NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
622848 | 5wpy | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -0.582 15.890 2.090 2 H2 MET 1 2HT MET 1 -2.193 15.354 2.035 3 H3 MET 1 3HT MET 1 -1.156 15.073 0.719 4 HA MET 1 HA MET 1 -0.200 13.290 1.651 5 HB2 MET 1 2HB MET 1 -0.538 14.769 4.272 6 HB3 MET 1 1HB MET 1 0.178 13.162 4.143 7 HG2 MET 1 2HG MET 1 1.854 14.091 2.535 8 HG3 MET 1 1HG MET 1 1.188 15.699 2.825 9 HE1 MET 1 1HE MET 1 1.836 16.567 6.350 10 HE2 MET 1 2HE MET 1 0.571 15.345 6.242 11 HE3 MET 1 3HE MET 1 0.705 16.576 4.989 12 H GLN 2 H GLN 2 -2.834 14.509 3.740 13 HA GLN 2 HA GLN 2 -4.786 13.438 4.481 14 HB2 GLN 2 2HB GLN 2 -4.410 11.922 1.877 15 HB3 GLN 2 1HB GLN 2 -5.891 11.962 2.833 16 HG2 GLN 2 2HG GLN 2 -6.015 14.410 2.545 17 HG3 GLN 2 1HG GLN 2 -4.538 14.370 1.582 18 HE21 GLN 2 1HE2 GLN 2 -6.844 15.368 0.356 19 HE22 GLN 2 2HE2 GLN 2 -7.414 14.256 -0.793 20 H HIS 3 H HIS 3 -2.658 12.514 5.814 21 HA HIS 3 HA HIS 3 -2.123 10.705 7.225 22 HB2 HIS 3 2HB HIS 3 -3.853 8.843 5.619 23 HB3 HIS 3 1HB HIS 3 -3.507 8.834 7.343 24 HD1 HIS 3 1HD HIS 3 -5.861 10.202 4.835 25 HD2 HIS 3 2HD HIS 3 -4.935 10.889 8.844 26 HE1 HIS 3 1HE HIS 3 -7.756 11.593 5.781 27 HE2 HIS 3 2HE HIS 3 -7.203 12.017 8.220 28 H ALA 4 H ALA 4 -0.579 11.415 4.973 29 HA ALA 4 HA ALA 4 0.096 9.223 3.278 30 HB1 ALA 4 1HB ALA 4 0.868 11.472 2.763 31 HB2 ALA 4 2HB ALA 4 2.274 10.431 2.985 32 HB3 ALA 4 3HB ALA 4 1.786 11.538 4.268 33 H SER 5 H SER 5 1.120 10.082 6.548 34 HA SER 5 HA SER 5 3.332 8.290 6.741 35 HB2 SER 5 2HB SER 5 3.105 8.536 9.141 36 HB3 SER 5 1HB SER 5 2.762 10.094 8.397 37 HG SER 5 HG SER 5 1.202 8.626 9.967 38 H VAL 6 H VAL 6 -0.145 7.793 7.193 39 HA VAL 6 HA VAL 6 0.061 5.145 8.286 40 HB VAL 6 HB VAL 6 -2.150 6.482 6.717 41 HG11 VAL 6 1HG1 VAL 6 -3.260 4.443 8.241 42 HG12 VAL 6 2HG1 VAL 6 -1.795 3.710 7.593 43 HG13 VAL 6 3HG1 VAL 6 -2.997 4.391 6.498 44 HG21 VAL 6 1HG2 VAL 6 -3.182 6.774 8.902 45 HG22 VAL 6 2HG2 VAL 6 -1.549 7.437 8.959 46 HG23 VAL 6 3HG2 VAL 6 -1.886 5.860 9.673 47 H ILE 7 H ILE 7 -0.172 6.390 4.983 48 HA ILE 7 HA ILE 7 -0.451 3.903 3.643 49 HB ILE 7 HB ILE 7 0.995 6.406 2.726 50 HG12 ILE 7 2HG1 ILE 7 -1.864 5.519 2.235 51 HG13 ILE 7 1HG1 ILE 7 -1.403 6.674 3.484 52 HG21 ILE 7 1HG2 ILE 7 0.498 5.554 0.460 53 HG22 ILE 7 2HG2 ILE 7 -0.211 4.100 1.162 54 HG23 ILE 7 3HG2 ILE 7 1.513 4.420 1.351 55 HD11 ILE 7 1HD1 ILE 7 -0.140 7.555 1.120 56 HD12 ILE 7 2HD1 ILE 7 -1.513 8.301 1.938 57 HD13 ILE 7 3HD1 ILE 7 -1.784 7.120 0.656 58 H ALA 8 H ALA 8 2.511 5.741 4.445 59 HA ALA 8 HA ALA 8 4.330 3.757 3.450 60 HB1 ALA 8 1HB ALA 8 5.293 5.252 5.782 61 HB2 ALA 8 2HB ALA 8 4.576 6.291 4.550 62 HB3 ALA 8 3HB ALA 8 5.918 5.225 4.133 63 H GLN 9 H GLN 9 2.884 4.329 6.628 64 HA GLN 9 HA GLN 9 4.249 2.207 7.998 65 HB2 GLN 9 2HB GLN 9 3.042 4.035 9.165 66 HB3 GLN 9 1HB GLN 9 1.516 3.409 8.543 67 HG2 GLN 9 2HG GLN 9 2.853 1.214 9.732 68 HG3 GLN 9 1HG GLN 9 2.989 2.560 10.864 69 HE21 GLN 9 1HE2 GLN 9 0.545 0.810 8.887 70 HE22 GLN 9 2HE2 GLN 9 -0.747 1.113 9.947 71 H PHE 10 H PHE 10 1.254 2.375 6.142 72 HA PHE 10 HA PHE 10 0.191 -0.179 6.768 73 HB2 PHE 10 2HB PHE 10 -0.857 1.762 5.447 74 HB3 PHE 10 1HB PHE 10 0.027 1.142 4.056 75 HD1 PHE 10 1HD PHE 10 -2.665 0.473 6.479 76 HD2 PHE 10 2HD PHE 10 -0.590 -0.968 3.004 77 HE1 PHE 10 1HE PHE 10 -4.475 -1.174 6.082 78 HE2 PHE 10 2HE PHE 10 -2.400 -2.618 2.610 79 HZ PHE 10 HZ PHE 10 -4.343 -2.717 4.150 80 H VAL 11 H VAL 11 2.225 0.755 3.977 81 HA VAL 11 HA VAL 11 2.570 -2.004 3.148 82 HB VAL 11 HB VAL 11 2.756 0.107 1.683 83 HG11 VAL 11 1HG1 VAL 11 5.612 0.039 2.676 84 HG12 VAL 11 2HG1 VAL 11 4.415 1.173 3.300 85 HG13 VAL 11 3HG1 VAL 11 4.869 1.221 1.599 86 HG21 VAL 11 1HG2 VAL 11 3.408 -1.589 0.334 87 HG22 VAL 11 2HG2 VAL 11 4.250 -2.405 1.651 88 HG23 VAL 11 3HG2 VAL 11 5.064 -1.135 0.738 89 H VAL 12 H VAL 12 4.583 0.334 4.919 90 HA VAL 12 HA VAL 12 6.884 -1.342 5.154 91 HB VAL 12 HB VAL 12 5.908 0.870 6.964 92 HG11 VAL 12 1HG1 VAL 12 8.637 0.808 7.159 93 HG12 VAL 12 2HG1 VAL 12 8.259 -0.910 7.026 94 HG13 VAL 12 3HG1 VAL 12 7.543 0.053 8.315 95 HG21 VAL 12 1HG2 VAL 12 7.115 2.350 5.619 96 HG22 VAL 12 2HG2 VAL 12 6.482 1.227 4.416 97 HG23 VAL 12 3HG2 VAL 12 8.148 1.075 4.974 98 H GLU 13 H GLU 13 4.003 -1.009 7.196 99 HA GLU 13 HA GLU 13 4.886 -2.517 9.412 100 HB2 GLU 13 2HB GLU 13 2.730 -1.289 9.350 101 HB3 GLU 13 1HB GLU 13 2.098 -2.504 8.246 102 HG2 GLU 13 2HG GLU 13 2.536 -4.253 9.956 103 HG3 GLU 13 1HG GLU 13 3.075 -2.992 11.062 104 H GLU 14 H GLU 14 3.957 -3.562 6.213 105 HA GLU 14 HA GLU 14 3.449 -6.320 6.819 106 HB2 GLU 14 2HB GLU 14 4.537 -5.008 4.311 107 HB3 GLU 14 1HB GLU 14 4.052 -6.700 4.409 108 HG2 GLU 14 2HG GLU 14 1.775 -5.995 5.078 109 HG3 GLU 14 1HG GLU 14 2.263 -4.306 4.915 110 H PHE 15 H PHE 15 6.399 -4.472 6.341 111 HA PHE 15 HA PHE 15 7.957 -6.727 7.412 112 HB2 PHE 15 2HB PHE 15 9.581 -6.149 5.316 113 HB3 PHE 15 1HB PHE 15 8.391 -7.447 5.284 114 HD1 PHE 15 1HD PHE 15 7.428 -7.512 3.159 115 HD2 PHE 15 2HD PHE 15 8.011 -3.719 5.090 116 HE1 PHE 15 1HE PHE 15 6.229 -6.384 1.307 117 HE2 PHE 15 2HE PHE 15 6.814 -2.592 3.235 118 HZ PHE 15 HZ PHE 15 5.922 -3.925 1.345 119 H LEU 16 H LEU 16 7.536 -4.409 8.752 120 HA LEU 16 HA LEU 16 9.570 -2.441 8.100 121 HB2 LEU 16 2HB LEU 16 8.706 -1.151 9.851 122 HB3 LEU 16 1HB LEU 16 7.302 -2.009 9.249 123 HG LEU 16 HG LEU 16 8.952 -2.844 11.653 124 HD11 LEU 16 1HD1 LEU 16 7.703 -1.398 12.823 125 HD12 LEU 16 2HD1 LEU 16 6.246 -2.230 12.277 126 HD13 LEU 16 3HD1 LEU 16 6.894 -0.881 11.343 127 HD21 LEU 16 1HD2 LEU 16 7.896 -4.765 10.533 128 HD22 LEU 16 2HD2 LEU 16 6.361 -3.905 10.470 129 HD23 LEU 16 3HD2 LEU 16 7.027 -4.405 12.023 130 HA PRO 17 HA PRO 17 12.773 -4.520 10.400 131 HB2 PRO 17 2HB PRO 17 14.599 -2.491 10.495 132 HB3 PRO 17 1HB PRO 17 14.275 -3.415 9.017 133 HG2 PRO 17 2HG PRO 17 13.289 -0.724 9.817 134 HG3 PRO 17 1HG PRO 17 13.839 -1.299 8.236 135 HD2 PRO 17 2HD PRO 17 11.195 -1.047 8.909 136 HD3 PRO 17 1HD PRO 17 11.796 -2.219 7.717 137 H ASP 18 H ASP 18 14.483 -2.990 12.183 138 HA ASP 18 HA ASP 18 12.682 -2.810 14.486 139 HB2 ASP 18 2HB ASP 18 14.739 -2.500 15.773 140 HB3 ASP 18 1HB ASP 18 14.940 -3.851 14.662 141 H VAL 19 H VAL 19 12.870 -0.808 12.109 142 HA VAL 19 HA VAL 19 13.271 1.666 13.744 143 HB VAL 19 HB VAL 19 13.280 1.357 10.730 144 HG11 VAL 19 1HG1 VAL 19 14.628 3.642 11.269 145 HG12 VAL 19 2HG1 VAL 19 13.500 3.637 12.625 146 HG13 VAL 19 3HG1 VAL 19 12.891 3.601 10.970 147 HG21 VAL 19 1HG2 VAL 19 15.802 1.895 11.176 148 HG22 VAL 19 2HG2 VAL 19 15.236 0.242 11.411 149 HG23 VAL 19 3HG2 VAL 19 15.469 1.301 12.802 150 H ALA 20 H ALA 20 11.557 3.095 13.929 151 HA ALA 20 HA ALA 20 8.911 2.186 13.318 152 HB1 ALA 20 1HB ALA 20 8.699 3.727 14.980 153 HB2 ALA 20 2HB ALA 20 8.614 4.888 13.655 154 HB3 ALA 20 3HB ALA 20 10.148 4.599 14.477 155 HA PRO 21 HA PRO 21 8.676 3.159 8.944 156 HB2 PRO 21 2HB PRO 21 5.954 4.189 9.579 157 HB3 PRO 21 1HB PRO 21 6.455 3.002 8.362 158 HG2 PRO 21 2HG PRO 21 5.235 2.316 10.659 159 HG3 PRO 21 1HG PRO 21 6.395 1.271 9.832 160 HD2 PRO 21 2HD PRO 21 6.710 2.763 12.362 161 HD3 PRO 21 1HD PRO 21 7.603 1.353 11.752 162 H ALA 22 H ALA 22 7.703 5.504 11.389 163 HA ALA 22 HA ALA 22 7.623 7.808 9.672 164 HB1 ALA 22 1HB ALA 22 8.518 8.437 12.356 165 HB2 ALA 22 2HB ALA 22 7.198 7.268 12.404 166 HB3 ALA 22 3HB ALA 22 6.978 8.815 11.584 167 H ASP 23 H ASP 23 10.216 5.998 11.106 168 HA ASP 23 HA ASP 23 12.166 8.146 10.446 169 HB2 ASP 23 2HB ASP 23 12.446 5.576 12.030 170 HB3 ASP 23 1HB ASP 23 13.785 6.671 11.683 171 H VAL 24 H VAL 24 10.691 5.832 8.783 172 HA VAL 24 HA VAL 24 13.142 4.767 7.471 173 HB VAL 24 HB VAL 24 10.232 3.992 7.088 174 HG11 VAL 24 1HG1 VAL 24 12.814 2.725 6.120 175 HG12 VAL 24 2HG1 VAL 24 11.626 3.551 5.111 176 HG13 VAL 24 3HG1 VAL 24 11.203 2.037 5.912 177 HG21 VAL 24 1HG2 VAL 24 12.435 2.463 8.499 178 HG22 VAL 24 2HG2 VAL 24 10.715 2.073 8.457 179 HG23 VAL 24 3HG2 VAL 24 11.278 3.485 9.351 180 H ASP 25 H ASP 25 13.655 5.377 5.381 181 HA ASP 25 HA ASP 25 12.497 7.784 4.334 182 HB2 ASP 25 2HB ASP 25 14.271 5.697 3.031 183 HB3 ASP 25 1HB ASP 25 13.864 7.249 2.297 184 H VAL 26 H VAL 26 10.241 7.413 4.102 185 HA VAL 26 HA VAL 26 9.090 5.194 2.720 186 HB VAL 26 HB VAL 26 7.071 6.506 2.627 187 HG11 VAL 26 1HG1 VAL 26 7.993 5.814 4.896 188 HG12 VAL 26 2HG1 VAL 26 6.849 7.157 4.928 189 HG13 VAL 26 3HG1 VAL 26 8.579 7.469 5.070 190 HG21 VAL 26 1HG2 VAL 26 7.795 8.549 1.641 191 HG22 VAL 26 2HG2 VAL 26 8.977 8.835 2.918 192 HG23 VAL 26 3HG2 VAL 26 7.255 8.995 3.260 193 H ASP 27 H ASP 27 11.285 7.215 1.468 194 HA ASP 27 HA ASP 27 9.970 7.656 -1.145 195 HB2 ASP 27 2HB ASP 27 12.726 8.378 -0.101 196 HB3 ASP 27 1HB ASP 27 12.149 8.762 -1.723 197 H LEU 28 H LEU 28 11.054 5.006 0.205 198 HA LEU 28 HA LEU 28 12.979 4.102 -1.825 199 HB2 LEU 28 2HB LEU 28 13.107 3.357 0.558 200 HB3 LEU 28 1HB LEU 28 11.577 2.513 0.339 201 HG LEU 28 HG LEU 28 12.639 1.247 -1.569 202 HD11 LEU 28 1HD1 LEU 28 15.266 1.255 -1.243 203 HD12 LEU 28 2HD1 LEU 28 14.976 2.885 -0.639 204 HD13 LEU 28 3HD1 LEU 28 14.495 2.454 -2.280 205 HD21 LEU 28 1HD2 LEU 28 13.173 1.011 1.297 206 HD22 LEU 28 2HD2 LEU 28 14.418 0.234 0.319 207 HD23 LEU 28 3HD2 LEU 28 12.728 -0.239 0.135 208 H ASP 29 H ASP 29 12.470 2.923 -3.618 209 HA ASP 29 HA ASP 29 9.752 2.762 -4.485 210 HB2 ASP 29 2HB ASP 29 10.678 1.300 -6.307 211 HB3 ASP 29 1HB ASP 29 11.542 2.826 -6.125 212 H LEU 30 H LEU 30 8.235 1.347 -3.818 213 HA LEU 30 HA LEU 30 8.811 -0.790 -2.017 214 HB2 LEU 30 2HB LEU 30 6.352 -0.437 -3.762 215 HB3 LEU 30 1HB LEU 30 6.464 -1.437 -2.313 216 HG LEU 30 HG LEU 30 6.785 1.576 -2.435 217 HD11 LEU 30 1HD1 LEU 30 4.560 1.615 -2.103 218 HD12 LEU 30 2HD1 LEU 30 4.777 0.682 -0.622 219 HD13 LEU 30 3HD1 LEU 30 4.509 -0.147 -2.155 220 HD21 LEU 30 1HD2 LEU 30 8.191 1.007 -0.675 221 HD22 LEU 30 2HD2 LEU 30 7.311 -0.479 -0.317 222 HD23 LEU 30 3HD2 LEU 30 6.648 1.079 0.174 223 H VAL 31 H VAL 31 9.328 -0.594 -5.345 224 HA VAL 31 HA VAL 31 8.594 -3.102 -6.350 225 HB VAL 31 HB VAL 31 9.809 -1.190 -7.567 226 HG11 VAL 31 1HG1 VAL 31 12.265 -2.699 -6.648 227 HG12 VAL 31 2HG1 VAL 31 11.709 -1.222 -5.861 228 HG13 VAL 31 3HG1 VAL 31 12.200 -1.188 -7.555 229 HG21 VAL 31 1HG2 VAL 31 10.183 -4.124 -7.896 230 HG22 VAL 31 2HG2 VAL 31 11.240 -3.088 -8.854 231 HG23 VAL 31 3HG2 VAL 31 9.489 -2.948 -9.011 232 H ASP 32 H ASP 32 11.410 -2.261 -4.357 233 HA ASP 32 HA ASP 32 12.635 -4.844 -4.369 234 HB2 ASP 32 2HB ASP 32 12.553 -2.713 -2.203 235 HB3 ASP 32 1HB ASP 32 13.597 -4.134 -2.153 236 H ASN 33 H ASN 33 9.986 -3.423 -2.588 237 HA ASN 33 HA ASN 33 9.566 -5.800 -0.922 238 HB2 ASN 33 2HB ASN 33 7.962 -3.264 -1.265 239 HB3 ASN 33 1HB ASN 33 7.575 -4.540 -0.115 240 HD21 ASN 33 1HD2 ASN 33 8.132 -2.007 0.900 241 HD22 ASN 33 2HD2 ASN 33 9.642 -2.010 1.673 242 H GLY 34 H GLY 34 9.303 -5.594 -4.007 243 HA2 GLY 34 2HA GLY 34 6.748 -5.811 -4.987 244 HA3 GLY 34 1HA GLY 34 8.039 -6.881 -5.534 245 H VAL 35 H VAL 35 8.082 -7.756 -2.506 246 HA VAL 35 HA VAL 35 6.730 -10.214 -2.804 247 HB VAL 35 HB VAL 35 7.300 -8.569 -0.318 248 HG11 VAL 35 1HG1 VAL 35 7.056 -11.201 0.484 249 HG12 VAL 35 2HG1 VAL 35 5.738 -11.030 -0.675 250 HG13 VAL 35 3HG1 VAL 35 5.834 -9.951 0.718 251 HG21 VAL 35 1HG2 VAL 35 9.237 -9.888 -0.099 252 HG22 VAL 35 2HG2 VAL 35 9.149 -9.606 -1.838 253 HG23 VAL 35 3HG2 VAL 35 8.614 -11.146 -1.166 254 H ILE 36 H ILE 36 5.574 -7.088 -1.618 255 HA ILE 36 HA ILE 36 2.926 -7.995 -0.903 256 HB ILE 36 HB ILE 36 4.186 -5.816 -0.223 257 HG12 ILE 36 2HG1 ILE 36 1.269 -5.855 -1.050 258 HG13 ILE 36 1HG1 ILE 36 1.930 -6.285 0.525 259 HG21 ILE 36 1HG2 ILE 36 4.408 -5.255 -2.752 260 HG22 ILE 36 2HG2 ILE 36 3.966 -3.950 -1.650 261 HG23 ILE 36 3HG2 ILE 36 2.727 -4.736 -2.630 262 HD11 ILE 36 1HD1 ILE 36 1.125 -4.060 0.781 263 HD12 ILE 36 2HD1 ILE 36 1.823 -3.555 -0.757 264 HD13 ILE 36 3HD1 ILE 36 2.874 -3.906 0.615 265 H ASP 37 H ASP 37 4.425 -6.991 -3.883 266 HA ASP 37 HA ASP 37 2.132 -6.161 -5.323 267 HB2 ASP 37 2HB ASP 37 4.649 -7.512 -6.319 268 HB3 ASP 37 1HB ASP 37 3.438 -6.778 -7.365 269 H SER 38 H SER 38 3.296 -9.440 -4.652 270 HA SER 38 HA SER 38 1.118 -10.484 -6.394 271 HB2 SER 38 2HB SER 38 3.799 -11.368 -5.774 272 HB3 SER 38 1HB SER 38 2.629 -12.635 -5.419 273 H LEU 39 H LEU 39 2.574 -11.539 -3.297 274 HA LEU 39 HA LEU 39 0.132 -12.865 -2.524 275 HB2 LEU 39 2HB LEU 39 2.459 -12.113 -0.767 276 HB3 LEU 39 1HB LEU 39 1.273 -13.377 -0.466 277 HG LEU 39 HG LEU 39 3.397 -13.303 -2.605 278 HD11 LEU 39 1HD1 LEU 39 4.157 -14.169 -0.495 279 HD12 LEU 39 2HD1 LEU 39 3.901 -15.547 -1.566 280 HD13 LEU 39 3HD1 LEU 39 2.709 -15.161 -0.325 281 HD21 LEU 39 1HD2 LEU 39 2.345 -15.583 -3.224 282 HD22 LEU 39 2HD2 LEU 39 1.522 -14.132 -3.796 283 HD23 LEU 39 3HD2 LEU 39 0.907 -14.999 -2.387 284 H GLY 40 H GLY 40 1.763 -9.980 -1.221 285 HA2 GLY 40 2HA GLY 40 -0.345 -9.345 0.610 286 HA3 GLY 40 1HA GLY 40 0.893 -8.222 0.065 287 H LEU 41 H LEU 41 0.246 -8.436 -2.754 288 HA LEU 41 HA LEU 41 -1.684 -6.369 -2.960 289 HB2 LEU 41 2HB LEU 41 0.023 -7.072 -4.708 290 HB3 LEU 41 1HB LEU 41 -1.063 -8.391 -5.128 291 HG LEU 41 HG LEU 41 -2.161 -5.596 -5.028 292 HD11 LEU 41 1HD1 LEU 41 -0.665 -6.737 -7.403 293 HD12 LEU 41 2HD1 LEU 41 -0.025 -5.491 -6.333 294 HD13 LEU 41 3HD1 LEU 41 -1.455 -5.164 -7.310 295 HD21 LEU 41 1HD2 LEU 41 -3.430 -6.562 -7.030 296 HD22 LEU 41 2HD2 LEU 41 -3.781 -7.304 -5.474 297 HD23 LEU 41 3HD2 LEU 41 -2.715 -8.118 -6.618 298 H LEU 42 H LEU 42 -2.033 -9.889 -3.316 299 HA LEU 42 HA LEU 42 -4.806 -9.831 -4.035 300 HB2 LEU 42 2HB LEU 42 -3.171 -11.939 -2.606 301 HB3 LEU 42 1HB LEU 42 -4.810 -12.195 -3.177 302 HG LEU 42 HG LEU 42 -2.477 -11.376 -4.925 303 HD11 LEU 42 1HD1 LEU 42 -1.938 -13.566 -4.926 304 HD12 LEU 42 2HD1 LEU 42 -3.504 -13.897 -5.666 305 HD13 LEU 42 3HD1 LEU 42 -3.328 -13.951 -3.912 306 HD21 LEU 42 1HD2 LEU 42 -4.234 -10.672 -6.195 307 HD22 LEU 42 2HD2 LEU 42 -5.397 -11.643 -5.295 308 HD23 LEU 42 3HD2 LEU 42 -4.411 -12.389 -6.552 309 H LYS 43 H LYS 43 -3.159 -10.075 -0.885 310 HA LYS 43 HA LYS 43 -5.590 -10.222 0.646 311 HB2 LYS 43 2HB LYS 43 -2.807 -9.323 1.407 312 HB3 LYS 43 1HB LYS 43 -4.110 -9.602 2.556 313 HG2 LYS 43 2HG LYS 43 -4.292 -11.948 1.717 314 HG3 LYS 43 1HG LYS 43 -2.893 -11.650 0.685 315 HD2 LYS 43 2HD LYS 43 -1.569 -11.061 2.721 316 HD3 LYS 43 1HD LYS 43 -2.960 -11.505 3.712 317 HE2 LYS 43 2HE LYS 43 -2.219 -13.631 3.674 318 HE3 LYS 43 1HE LYS 43 -2.582 -13.665 1.949 319 HZ1 LYS 43 1HZ LYS 43 -0.060 -13.621 3.244 320 HZ2 LYS 43 2HZ LYS 43 -0.203 -12.297 2.189 321 HZ3 LYS 43 3HZ LYS 43 -0.417 -13.879 1.607 322 H VAL 44 H VAL 44 -3.488 -7.535 -0.339 323 HA VAL 44 HA VAL 44 -4.896 -5.503 1.123 324 HB VAL 44 HB VAL 44 -3.147 -5.356 -1.345 325 HG11 VAL 44 1HG1 VAL 44 -3.944 -3.250 -1.549 326 HG12 VAL 44 2HG1 VAL 44 -3.074 -2.897 -0.056 327 HG13 VAL 44 3HG1 VAL 44 -4.781 -3.335 0.000 328 HG21 VAL 44 1HG2 VAL 44 -1.480 -5.626 0.145 329 HG22 VAL 44 2HG2 VAL 44 -2.644 -5.714 1.466 330 HG23 VAL 44 3HG2 VAL 44 -2.002 -4.152 0.959 331 H ILE 45 H ILE 45 -5.106 -6.553 -2.285 332 HA ILE 45 HA ILE 45 -7.114 -4.692 -3.060 333 HB ILE 45 HB ILE 45 -6.041 -7.259 -4.103 334 HG12 ILE 45 2HG1 ILE 45 -5.718 -5.942 -6.089 335 HG13 ILE 45 1HG1 ILE 45 -6.824 -4.696 -5.514 336 HG21 ILE 45 1HG2 ILE 45 -7.864 -7.196 -5.899 337 HG22 ILE 45 2HG2 ILE 45 -8.787 -6.193 -4.781 338 HG23 ILE 45 3HG2 ILE 45 -8.338 -7.838 -4.328 339 HD11 ILE 45 1HD1 ILE 45 -5.277 -3.795 -4.070 340 HD12 ILE 45 2HD1 ILE 45 -4.163 -4.466 -5.259 341 HD13 ILE 45 3HD1 ILE 45 -4.497 -5.347 -3.771 342 H ALA 46 H ALA 46 -7.388 -8.011 -1.785 343 HA ALA 46 HA ALA 46 -10.226 -8.183 -1.930 344 HB1 ALA 46 1HB ALA 46 -9.180 -10.222 -1.482 345 HB2 ALA 46 2HB ALA 46 -9.821 -9.795 0.104 346 HB3 ALA 46 3HB ALA 46 -8.117 -9.521 -0.262 347 H TRP 47 H TRP 47 -8.097 -6.955 0.647 348 HA TRP 47 HA TRP 47 -10.328 -6.372 2.426 349 HB2 TRP 47 2HB TRP 47 -8.441 -6.639 3.700 350 HB3 TRP 47 1HB TRP 47 -7.378 -6.002 2.446 351 HD1 TRP 47 HD TRP 47 -9.779 -4.850 5.203 352 HE1 TRP 47 1HE TRP 47 -9.220 -2.406 5.796 353 HE3 TRP 47 3HE TRP 47 -6.311 -3.833 1.610 354 HZ2 TRP 47 2HZ TRP 47 -7.521 -0.297 4.874 355 HZ3 TRP 47 3HZ TRP 47 -5.233 -1.609 1.485 356 HH2 TRP 47 HH TRP 47 -5.833 0.159 3.110 357 H LEU 48 H LEU 48 -8.128 -4.369 0.449 358 HA LEU 48 HA LEU 48 -9.343 -1.873 1.061 359 HB2 LEU 48 2HB LEU 48 -7.125 -2.219 -0.082 360 HB3 LEU 48 1HB LEU 48 -8.005 -2.652 -1.539 361 HG LEU 48 HG LEU 48 -9.229 -0.373 -1.153 362 HD11 LEU 48 1HD1 LEU 48 -7.677 -0.342 1.075 363 HD12 LEU 48 2HD1 LEU 48 -8.286 1.116 0.293 364 HD13 LEU 48 3HD1 LEU 48 -6.650 0.550 -0.045 365 HD21 LEU 48 1HD2 LEU 48 -8.042 -0.303 -3.105 366 HD22 LEU 48 2HD2 LEU 48 -6.620 -1.051 -2.378 367 HD23 LEU 48 3HD2 LEU 48 -6.919 0.673 -2.157 368 H GLU 49 H GLU 49 -10.024 -4.207 -1.543 369 HA GLU 49 HA GLU 49 -12.007 -2.547 -2.813 370 HB2 GLU 49 2HB GLU 49 -12.379 -4.371 -4.230 371 HB3 GLU 49 1HB GLU 49 -10.710 -4.597 -3.750 372 HG2 GLU 49 2HG GLU 49 -11.541 -6.106 -1.911 373 HG3 GLU 49 1HG GLU 49 -13.137 -5.999 -2.643 374 H ASP 50 H ASP 50 -12.132 -5.025 -0.297 375 HA ASP 50 HA ASP 50 -14.958 -5.353 -0.223 376 HB2 ASP 50 2HB ASP 50 -13.262 -6.781 0.970 377 HB3 ASP 50 1HB ASP 50 -13.083 -5.474 2.138 378 H ARG 51 H ARG 51 -12.843 -3.041 1.453 379 HA ARG 51 HA ARG 51 -14.891 -1.845 3.038 380 HB2 ARG 51 2HB ARG 51 -12.226 -0.834 2.047 381 HB3 ARG 51 1HB ARG 51 -13.274 0.125 3.087 382 HG2 ARG 51 2HG ARG 51 -13.295 -1.798 4.714 383 HG3 ARG 51 1HG ARG 51 -12.080 -2.587 3.707 384 HD2 ARG 51 2HD ARG 51 -10.593 -0.619 3.989 385 HD3 ARG 51 1HD ARG 51 -11.795 0.118 5.048 386 HE ARG 51 HE ARG 51 -10.955 -2.552 5.900 387 HH11 ARG 51 1HH1 ARG 51 -9.839 -2.613 7.866 388 HH12 ARG 51 2HH1 ARG 51 -9.225 -1.142 8.544 389 HH21 ARG 51 1HH2 ARG 51 -10.395 0.850 5.959 390 HH22 ARG 51 2HH2 ARG 51 -9.539 0.818 7.465 391 H PHE 52 H PHE 52 -13.729 -1.072 -0.249 392 HA PHE 52 HA PHE 52 -15.789 1.068 -0.377 393 HB2 PHE 52 2HB PHE 52 -13.412 0.419 -2.135 394 HB3 PHE 52 1HB PHE 52 -14.573 1.698 -2.481 395 HD1 PHE 52 1HD PHE 52 -14.801 3.644 -0.959 396 HD2 PHE 52 2HD PHE 52 -11.787 0.641 -0.367 397 HE1 PHE 52 1HE PHE 52 -13.594 5.160 0.589 398 HE2 PHE 52 2HE PHE 52 -10.581 2.157 1.181 399 HZ PHE 52 HZ PHE 52 -11.485 4.416 1.658 400 H GLY 53 H GLY 53 -15.467 -2.172 -1.133 401 HA2 GLY 53 2HA GLY 53 -16.767 -3.599 -2.470 402 HA3 GLY 53 1HA GLY 53 -17.929 -2.274 -2.573 403 H ILE 54 H ILE 54 -14.568 -2.107 -3.661 404 HA ILE 54 HA ILE 54 -15.552 -1.338 -6.345 405 HB ILE 54 HB ILE 54 -12.733 -1.438 -5.227 406 HG12 ILE 54 2HG1 ILE 54 -14.483 0.980 -5.727 407 HG13 ILE 54 1HG1 ILE 54 -14.405 0.174 -4.162 408 HG21 ILE 54 1HG2 ILE 54 -12.228 0.028 -7.178 409 HG22 ILE 54 2HG2 ILE 54 -13.876 -0.214 -7.757 410 HG23 ILE 54 3HG2 ILE 54 -12.763 -1.579 -7.669 411 HD11 ILE 54 1HD1 ILE 54 -12.808 1.991 -4.129 412 HD12 ILE 54 2HD1 ILE 54 -12.113 1.468 -5.663 413 HD13 ILE 54 3HD1 ILE 54 -11.900 0.481 -4.217 414 H ALA 55 H ALA 55 -15.195 -2.557 -8.211 415 HA ALA 55 HA ALA 55 -14.753 -5.395 -7.874 416 HB1 ALA 55 1HB ALA 55 -16.099 -4.138 -9.726 417 HB2 ALA 55 2HB ALA 55 -15.184 -5.575 -10.181 418 HB3 ALA 55 3HB ALA 55 -14.534 -3.971 -10.522 419 H ALA 56 H ALA 56 -12.852 -6.550 -8.128 420 HA ALA 56 HA ALA 56 -10.348 -5.175 -7.975 421 HB1 ALA 56 1HB ALA 56 -10.158 -7.891 -9.047 422 HB2 ALA 56 2HB ALA 56 -11.203 -7.795 -7.629 423 HB3 ALA 56 3HB ALA 56 -9.532 -7.237 -7.533 424 H ASP 57 H ASP 57 -12.149 -6.548 -10.685 425 HA ASP 57 HA ASP 57 -10.058 -6.317 -12.627 426 HB2 ASP 57 2HB ASP 57 -11.858 -6.535 -14.282 427 HB3 ASP 57 1HB ASP 57 -12.074 -7.697 -12.979 428 H ASP 58 H ASP 58 -12.262 -3.993 -11.241 429 HA ASP 58 HA ASP 58 -12.296 -2.001 -13.227 430 HB2 ASP 58 2HB ASP 58 -13.534 -1.960 -11.027 431 HB3 ASP 58 1HB ASP 58 -12.021 -1.474 -10.268 432 H VAL 59 H VAL 59 -9.767 -2.809 -10.897 433 HA VAL 59 HA VAL 59 -8.036 -0.717 -12.147 434 HB VAL 59 HB VAL 59 -7.697 -2.103 -9.482 435 HG11 VAL 59 1HG1 VAL 59 -6.142 -0.074 -11.035 436 HG12 VAL 59 2HG1 VAL 59 -5.560 -1.383 -10.005 437 HG13 VAL 59 3HG1 VAL 59 -6.203 0.091 -9.280 438 HG21 VAL 59 1HG2 VAL 59 -9.579 -0.722 -9.183 439 HG22 VAL 59 2HG2 VAL 59 -8.973 0.499 -10.302 440 HG23 VAL 59 3HG2 VAL 59 -8.244 0.328 -8.706 441 H GLU 60 H GLU 60 -6.158 -1.364 -13.155 442 HA GLU 60 HA GLU 60 -5.777 -4.267 -13.519 443 HB2 GLU 60 2HB GLU 60 -5.655 -2.684 -15.454 444 HB3 GLU 60 1HB GLU 60 -4.224 -1.961 -14.727 445 HG2 GLU 60 2HG GLU 60 -3.123 -4.184 -14.767 446 HG3 GLU 60 1HG GLU 60 -4.532 -4.839 -15.591 447 H LEU 61 H LEU 61 -3.965 -5.398 -12.785 448 HA LEU 61 HA LEU 61 -2.421 -4.048 -10.657 449 HB2 LEU 61 2HB LEU 61 -2.359 -6.961 -11.488 450 HB3 LEU 61 1HB LEU 61 -1.766 -6.273 -9.979 451 HG LEU 61 HG LEU 61 -4.640 -6.364 -10.906 452 HD11 LEU 61 1HD1 LEU 61 -4.182 -8.477 -10.026 453 HD12 LEU 61 2HD1 LEU 61 -4.730 -7.606 -8.594 454 HD13 LEU 61 3HD1 LEU 61 -3.005 -7.849 -8.872 455 HD21 LEU 61 1HD2 LEU 61 -4.889 -5.486 -8.428 456 HD22 LEU 61 2HD2 LEU 61 -4.568 -4.350 -9.738 457 HD23 LEU 61 3HD2 LEU 61 -3.252 -4.887 -8.694 458 H SER 62 H SER 62 -0.256 -3.569 -10.853 459 HA SER 62 HA SER 62 1.426 -4.884 -12.831 460 HB2 SER 62 2HB SER 62 -0.019 -2.630 -13.692 461 HB3 SER 62 1HB SER 62 1.613 -2.043 -13.384 462 HG SER 62 HG SER 62 1.706 -4.435 -14.597 463 HA PRO 63 HA PRO 63 4.459 -3.743 -9.818 464 HB2 PRO 63 2HB PRO 63 6.679 -3.439 -11.455 465 HB3 PRO 63 1HB PRO 63 6.069 -4.992 -10.858 466 HG2 PRO 63 2HG PRO 63 5.711 -3.709 -13.510 467 HG3 PRO 63 1HG PRO 63 5.906 -5.421 -13.095 468 HD2 PRO 63 2HD PRO 63 3.490 -4.344 -13.739 469 HD3 PRO 63 1HD PRO 63 3.660 -5.698 -12.601 470 H GLU 64 H GLU 64 4.040 -1.717 -12.652 471 HA GLU 64 HA GLU 64 5.655 0.493 -11.835 472 HB2 GLU 64 2HB GLU 64 3.169 0.416 -13.548 473 HB3 GLU 64 1HB GLU 64 4.230 1.809 -13.401 474 HG2 GLU 64 2HG GLU 64 6.114 0.424 -14.214 475 HG3 GLU 64 1HG GLU 64 5.004 -0.924 -14.430 476 H HIS 65 H HIS 65 2.403 -0.509 -10.968 477 HA HIS 65 HA HIS 65 1.580 1.983 -9.786 478 HB2 HIS 65 2HB HIS 65 0.012 0.143 -10.392 479 HB3 HIS 65 1HB HIS 65 0.687 -0.829 -9.084 480 HD1 HIS 65 1HD HIS 65 -0.847 2.652 -9.485 481 HD2 HIS 65 2HD HIS 65 -0.680 -0.463 -6.716 482 HE1 HIS 65 1HE HIS 65 -2.319 3.340 -7.541 483 HE2 HIS 65 2HE HIS 65 -2.224 1.452 -5.850 484 H PHE 66 H PHE 66 3.561 -0.670 -8.661 485 HA PHE 66 HA PHE 66 3.570 0.478 -5.912 486 HB2 PHE 66 2HB PHE 66 4.646 -2.153 -6.971 487 HB3 PHE 66 1HB PHE 66 4.715 -1.636 -5.286 488 HD1 PHE 66 1HD PHE 66 2.691 -1.495 -3.918 489 HD2 PHE 66 2HD PHE 66 2.523 -2.757 -8.021 490 HE1 PHE 66 1HE PHE 66 0.381 -2.325 -3.568 491 HE2 PHE 66 2HE PHE 66 0.214 -3.589 -7.670 492 HZ PHE 66 HZ PHE 66 -0.858 -3.372 -5.444 493 H ARG 67 H ARG 67 5.124 1.173 -8.617 494 HA ARG 67 HA ARG 67 7.880 0.808 -8.188 495 HB2 ARG 67 2HB ARG 67 6.859 1.797 -10.247 496 HB3 ARG 67 1HB ARG 67 6.554 3.279 -9.349 497 HG2 ARG 67 2HG ARG 67 8.586 3.744 -10.417 498 HG3 ARG 67 1HG ARG 67 9.112 3.192 -8.831 499 HD2 ARG 67 2HD ARG 67 9.490 0.926 -9.734 500 HD3 ARG 67 1HD ARG 67 8.946 1.469 -11.320 501 HE ARG 67 HE ARG 67 11.069 2.440 -11.632 502 HH11 ARG 67 1HH1 ARG 67 13.136 3.046 -10.948 503 HH12 ARG 67 2HH1 ARG 67 13.526 2.992 -9.262 504 HH21 ARG 67 1HH2 ARG 67 10.393 1.860 -8.301 505 HH22 ARG 67 2HH2 ARG 67 11.973 2.321 -7.763 506 H SER 68 H SER 68 5.709 3.288 -6.852 507 HA SER 68 HA SER 68 7.724 3.790 -4.741 508 HB2 SER 68 2HB SER 68 7.718 6.188 -5.055 509 HB3 SER 68 1HB SER 68 8.140 5.445 -6.595 510 HG SER 68 HG SER 68 5.536 6.274 -5.809 511 H ILE 69 H ILE 69 6.787 4.715 -2.827 512 HA ILE 69 HA ILE 69 4.071 3.960 -2.326 513 HB ILE 69 HB ILE 69 5.882 5.824 -0.762 514 HG12 ILE 69 2HG1 ILE 69 5.358 2.877 -0.372 515 HG13 ILE 69 1HG1 ILE 69 6.766 3.509 -1.211 516 HG21 ILE 69 1HG2 ILE 69 4.077 4.278 0.813 517 HG22 ILE 69 2HG2 ILE 69 3.153 5.106 -0.438 518 HG23 ILE 69 3HG2 ILE 69 4.169 6.032 0.666 519 HD11 ILE 69 1HD1 ILE 69 6.216 4.704 1.441 520 HD12 ILE 69 2HD1 ILE 69 7.755 4.240 0.715 521 HD13 ILE 69 3HD1 ILE 69 6.724 3.016 1.456 522 H ARG 70 H ARG 70 5.615 7.057 -3.102 523 HA ARG 70 HA ARG 70 3.379 8.737 -2.575 524 HB2 ARG 70 2HB ARG 70 5.601 9.037 -4.616 525 HB3 ARG 70 1HB ARG 70 4.478 10.320 -4.162 526 HG2 ARG 70 2HG ARG 70 5.224 10.075 -1.789 527 HG3 ARG 70 1HG ARG 70 6.425 8.898 -2.324 528 HD2 ARG 70 2HD ARG 70 6.243 11.793 -3.206 529 HD3 ARG 70 1HD ARG 70 7.467 11.103 -2.141 530 HE ARG 70 HE ARG 70 7.382 9.710 -4.675 531 HH11 ARG 70 1HH1 ARG 70 9.113 10.071 -6.082 532 HH12 ARG 70 2HH1 ARG 70 10.145 11.440 -5.833 533 HH21 ARG 70 1HH2 ARG 70 8.424 12.561 -3.039 534 HH22 ARG 70 2HH2 ARG 70 9.754 12.849 -4.110 535 H SER 71 H SER 71 4.257 6.884 -5.487 536 HA SER 71 HA SER 71 2.251 7.988 -7.190 537 HB2 SER 71 2HB SER 71 2.634 6.056 -8.589 538 HB3 SER 71 1HB SER 71 4.183 6.540 -7.911 539 HG SER 71 HG SER 71 2.879 4.215 -7.665 540 H ILE 72 H ILE 72 2.185 5.242 -4.927 541 HA ILE 72 HA ILE 72 -0.477 4.397 -5.598 542 HB ILE 72 HB ILE 72 1.090 4.043 -3.026 543 HG12 ILE 72 2HG1 ILE 72 0.808 2.201 -5.423 544 HG13 ILE 72 1HG1 ILE 72 2.226 3.198 -5.094 545 HG21 ILE 72 1HG2 ILE 72 -0.773 3.048 -2.269 546 HG22 ILE 72 2HG2 ILE 72 -0.635 1.873 -3.577 547 HG23 ILE 72 3HG2 ILE 72 -1.587 3.339 -3.805 548 HD11 ILE 72 1HD1 ILE 72 1.505 0.635 -3.959 549 HD12 ILE 72 2HD1 ILE 72 1.682 1.842 -2.685 550 HD13 ILE 72 3HD1 ILE 72 3.014 1.534 -3.799 551 H ASP 73 H ASP 73 0.841 6.595 -3.136 552 HA ASP 73 HA ASP 73 -1.565 7.081 -1.713 553 HB2 ASP 73 2HB ASP 73 0.743 7.823 -1.031 554 HB3 ASP 73 1HB ASP 73 0.634 9.095 -2.248 555 H ALA 74 H ALA 74 -0.262 8.659 -4.630 556 HA ALA 74 HA ALA 74 -2.299 10.672 -4.780 557 HB1 ALA 74 1HB ALA 74 -0.478 11.167 -6.138 558 HB2 ALA 74 2HB ALA 74 -1.613 10.530 -7.329 559 HB3 ALA 74 3HB ALA 74 -0.321 9.504 -6.706 560 H PHE 75 H PHE 75 -2.045 7.435 -6.241 561 HA PHE 75 HA PHE 75 -4.454 7.592 -7.764 562 HB2 PHE 75 2HB PHE 75 -2.712 5.809 -8.008 563 HB3 PHE 75 1HB PHE 75 -3.266 5.128 -6.480 564 HD1 PHE 75 1HD PHE 75 -4.235 5.867 -9.978 565 HD2 PHE 75 2HD PHE 75 -5.328 3.897 -6.321 566 HE1 PHE 75 1HE PHE 75 -6.050 4.665 -11.167 567 HE2 PHE 75 2HE PHE 75 -7.143 2.695 -7.510 568 HZ PHE 75 HZ PHE 75 -7.503 3.080 -9.934 569 H VAL 76 H VAL 76 -3.868 6.243 -4.503 570 HA VAL 76 HA VAL 76 -6.618 5.640 -3.992 571 HB VAL 76 HB VAL 76 -4.276 6.161 -2.142 572 HG11 VAL 76 1HG1 VAL 76 -5.882 4.794 -0.575 573 HG12 VAL 76 2HG1 VAL 76 -7.140 5.448 -1.623 574 HG13 VAL 76 3HG1 VAL 76 -6.082 6.538 -0.728 575 HG21 VAL 76 1HG2 VAL 76 -5.668 3.558 -2.813 576 HG22 VAL 76 2HG2 VAL 76 -4.106 3.779 -2.023 577 HG23 VAL 76 3HG2 VAL 76 -4.289 4.154 -3.737 578 H VAL 77 H VAL 77 -4.588 8.471 -3.169 579 HA VAL 77 HA VAL 77 -6.570 9.897 -1.718 580 HB VAL 77 HB VAL 77 -4.223 10.817 -3.392 581 HG11 VAL 77 1HG1 VAL 77 -6.399 12.334 -2.106 582 HG12 VAL 77 2HG1 VAL 77 -5.278 12.826 -3.374 583 HG13 VAL 77 3HG1 VAL 77 -4.775 12.877 -1.685 584 HG21 VAL 77 1HG2 VAL 77 -3.043 10.890 -1.379 585 HG22 VAL 77 2HG2 VAL 77 -4.076 9.484 -1.122 586 HG23 VAL 77 3HG2 VAL 77 -4.508 11.038 -0.409 587 H GLY 78 H GLY 78 -5.849 9.747 -5.184 588 HA2 GLY 78 2HA GLY 78 -7.581 11.804 -6.061 589 HA3 GLY 78 1HA GLY 78 -7.134 10.400 -7.029 590 H ALA 79 H ALA 79 -8.297 8.459 -5.122 591 HA ALA 79 HA ALA 79 -11.148 8.930 -5.851 592 HB1 ALA 79 1HB ALA 79 -11.440 6.560 -5.818 593 HB2 ALA 79 2HB ALA 79 -9.905 6.319 -4.984 594 HB3 ALA 79 3HB ALA 79 -9.921 6.855 -6.664 595 H THR 80 H THR 80 -9.198 7.641 -3.147 596 HA THR 80 HA THR 80 -10.980 8.943 -1.229 597 HB THR 80 HB THR 80 -12.157 6.788 -1.899 598 HG1 THR 80 1HG THR 80 -11.574 6.398 0.740 599 HG21 THR 80 1HG2 THR 80 -10.313 5.269 -0.152 600 HG22 THR 80 2HG2 THR 80 -9.684 5.679 -1.746 601 HG23 THR 80 3HG2 THR 80 -11.176 4.752 -1.599 602 H THR 81 H THR 81 -10.086 8.916 0.919 603 HA THR 81 HA THR 81 -7.362 7.719 1.135 604 HB THR 81 HB THR 81 -7.217 10.154 0.643 605 HG1 THR 81 1HG THR 81 -5.667 9.140 1.984 606 HG21 THR 81 1HG2 THR 81 -8.403 11.724 1.787 607 HG22 THR 81 2HG2 THR 81 -8.216 10.885 3.327 608 HG23 THR 81 3HG2 THR 81 -9.458 10.368 2.186 609 HA PRO 82 HA PRO 82 -9.771 6.618 4.877 610 HB2 PRO 82 2HB PRO 82 -9.387 3.968 4.810 611 HB3 PRO 82 1HB PRO 82 -10.528 4.760 3.706 612 HG2 PRO 82 2HG PRO 82 -7.815 3.691 3.172 613 HG3 PRO 82 1HG PRO 82 -9.235 3.757 2.115 614 HD2 PRO 82 2HD PRO 82 -7.049 5.571 2.116 615 HD3 PRO 82 1HD PRO 82 -8.584 5.765 1.245 616 HA PRO 83 HA PRO 83 -5.765 6.426 7.093 617 HB2 PRO 83 2HB PRO 83 -6.636 7.478 9.448 618 HB3 PRO 83 1HB PRO 83 -6.240 8.475 8.038 619 HG2 PRO 83 2HG PRO 83 -8.882 7.681 9.110 620 HG3 PRO 83 1HG PRO 83 -8.391 9.175 8.297 621 HD2 PRO 83 2HD PRO 83 -9.786 7.077 7.094 622 HD3 PRO 83 1HD PRO 83 -8.891 8.342 6.224 623 H VAL 84 H VAL 84 -5.000 4.675 8.242 624 HA VAL 84 HA VAL 84 -6.963 3.130 9.894 625 HB VAL 84 HB VAL 84 -4.709 1.972 8.229 626 HG11 VAL 84 1HG1 VAL 84 -5.441 0.747 10.326 627 HG12 VAL 84 2HG1 VAL 84 -5.638 -0.166 8.830 628 HG13 VAL 84 3HG1 VAL 84 -7.037 0.592 9.591 629 HG21 VAL 84 1HG2 VAL 84 -6.399 2.802 6.720 630 HG22 VAL 84 2HG2 VAL 84 -7.694 2.164 7.734 631 HG23 VAL 84 3HG2 VAL 84 -6.635 1.060 6.856 632 H GLU 85 H GLU 85 -6.269 2.678 11.949 633 HA GLU 85 HA GLU 85 -3.885 3.899 12.975 634 HB2 GLU 85 2HB GLU 85 -5.644 1.722 14.147 635 HB3 GLU 85 1HB GLU 85 -4.392 2.586 15.039 636 HG2 GLU 85 2HG GLU 85 -5.550 4.729 14.551 637 HG3 GLU 85 1HG GLU 85 -6.827 3.831 13.730 638 H ALA 86 H ALA 86 -4.629 0.614 11.890 639 HA ALA 86 HA ALA 86 -1.731 0.068 11.715 640 HB1 ALA 86 1HB ALA 86 -3.336 -0.924 13.869 641 HB2 ALA 86 2HB ALA 86 -1.642 -1.272 13.521 642 HB3 ALA 86 3HB ALA 86 -2.911 -2.282 12.827 643 H LYS 87 H LYS 87 -1.276 -1.670 10.229 644 HA LYS 87 HA LYS 87 -3.091 -1.910 8.055 645 HB2 LYS 87 2HB LYS 87 -0.615 -2.348 7.948 646 HB3 LYS 87 1HB LYS 87 -0.903 -3.879 8.778 647 HG2 LYS 87 2HG LYS 87 -2.443 -4.564 6.967 648 HG3 LYS 87 1HG LYS 87 -2.124 -3.046 6.133 649 HD2 LYS 87 2HD LYS 87 0.343 -3.690 6.173 650 HD3 LYS 87 1HD LYS 87 -0.184 -5.296 6.681 651 HE2 LYS 87 2HE LYS 87 -0.325 -4.040 4.033 652 HE3 LYS 87 1HE LYS 87 -0.399 -5.748 4.470 653 HZ1 LYS 87 1HZ LYS 87 -2.614 -3.778 4.563 654 HZ2 LYS 87 2HZ LYS 87 -2.715 -5.344 5.214 655 HZ3 LYS 87 3HZ LYS 87 -2.484 -5.128 3.545 656 H LEU 88 H LEU 88 -2.558 -3.987 10.880 657 HA LEU 88 HA LEU 88 -4.105 -6.215 10.075 658 HB2 LEU 88 2HB LEU 88 -2.717 -6.105 12.156 659 HB3 LEU 88 1HB LEU 88 -3.933 -5.047 12.869 660 HG LEU 88 HG LEU 88 -5.644 -6.849 12.448 661 HD11 LEU 88 1HD1 LEU 88 -5.011 -8.476 11.011 662 HD12 LEU 88 2HD1 LEU 88 -4.061 -9.134 12.342 663 HD13 LEU 88 3HD1 LEU 88 -3.306 -8.057 11.168 664 HD21 LEU 88 1HD2 LEU 88 -4.473 -8.448 14.217 665 HD22 LEU 88 2HD2 LEU 88 -4.988 -6.824 14.674 666 HD23 LEU 88 3HD2 LEU 88 -3.296 -7.136 14.286 667 H GLN 89 H GLN 89 -5.106 -3.113 11.472 668 HA GLN 89 HA GLN 89 -7.939 -3.973 11.421 669 HB2 GLN 89 2HB GLN 89 -6.629 -1.385 12.311 670 HB3 GLN 89 1HB GLN 89 -8.357 -1.724 12.422 671 HG2 GLN 89 2HG GLN 89 -7.908 -3.648 13.879 672 HG3 GLN 89 1HG GLN 89 -6.172 -3.362 13.742 673 HE21 GLN 89 1HE2 GLN 89 -7.457 -3.292 16.292 674 HE22 GLN 89 2HE2 GLN 89 -7.427 -1.696 16.869 675 H1 PN7 101 3HO SAT 101 2.220 -10.390 -12.806 676 H2 PN7 101 1H1 SAT 101 3.624 -9.825 -11.027 677 H3 PN7 101 2H1 SAT 101 3.859 -8.938 -9.522 678 H5 PN7 101 1HE1 SAT 101 3.641 -7.005 -10.722 679 H6 PN7 101 2HE1 SAT 101 2.482 -6.663 -9.438 680 H7 PN7 101 3HE1 SAT 101 2.047 -6.364 -11.120 681 H8 PN7 101 2HE2 SAT 101 0.242 -9.435 -9.973 682 H9 PN7 101 3HE2 SAT 101 0.233 -7.693 -9.697 683 H10 PN7 101 1HE2 SAT 101 1.163 -8.750 -8.634 684 H11 PN7 101 3H SAT 101 0.686 -8.235 -12.209 685 H12 PN7 101 5H SAT 101 2.256 -6.292 -13.493 686 H13 PN7 101 1H6 SAT 101 2.118 -6.645 -15.818 687 H14 PN7 101 2H6 SAT 101 2.886 -8.214 -15.573 688 H15 PN7 101 1H7 SAT 101 0.361 -8.049 -16.387 689 H16 PN7 101 2H7 SAT 101 0.056 -7.860 -14.660 690 H17 PN7 101 9H SAT 101 -1.020 -10.033 -14.853 691 H18 PN7 101 1H10 SAT 101 1.081 -12.102 -14.349 692 H19 PN7 101 2H10 SAT 101 -0.217 -11.806 -13.193 693 H20 PN7 101 1H11 SAT 101 -1.867 -12.403 -14.992 694 H21 PN7 101 2H11 SAT 101 -0.814 -13.742 -14.533 695 H22 PN7 101 2HS1 SAT 101 0.671 -13.052 -16.699 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -0.121 12.115 -1.308 2 H2 MET 1 2HT MET 1 -1.124 12.933 -0.207 3 H3 MET 1 3HT MET 1 -1.540 11.375 -0.745 4 HA MET 1 HA MET 1 0.236 10.376 0.426 5 HB2 MET 1 2HB MET 1 1.086 13.229 1.009 6 HB3 MET 1 1HB MET 1 1.833 11.792 1.710 7 HG2 MET 1 2HG MET 1 2.277 10.986 -0.640 8 HG3 MET 1 1HG MET 1 1.734 12.559 -1.217 9 HE1 MET 1 1HE MET 1 3.703 10.626 1.093 10 HE2 MET 1 2HE MET 1 4.428 11.875 2.100 11 HE3 MET 1 3HE MET 1 5.378 11.124 0.821 12 H GLN 2 H GLN 2 -2.467 11.952 0.906 13 HA GLN 2 HA GLN 2 -2.585 12.646 3.659 14 HB2 GLN 2 2HB GLN 2 -4.745 11.465 1.882 15 HB3 GLN 2 1HB GLN 2 -5.030 12.221 3.450 16 HG2 GLN 2 2HG GLN 2 -4.078 14.334 2.616 17 HG3 GLN 2 1HG GLN 2 -3.772 13.581 1.050 18 HE21 GLN 2 1HE2 GLN 2 -5.481 15.848 1.228 19 HE22 GLN 2 2HE2 GLN 2 -7.071 15.363 0.889 20 H HIS 3 H HIS 3 -2.944 9.525 2.023 21 HA HIS 3 HA HIS 3 -3.040 8.208 4.711 22 HB2 HIS 3 2HB HIS 3 -3.856 6.922 2.102 23 HB3 HIS 3 1HB HIS 3 -4.285 6.436 3.742 24 HD1 HIS 3 1HD HIS 3 -5.490 8.740 5.051 25 HD2 HIS 3 2HD HIS 3 -6.045 8.137 0.963 26 HE1 HIS 3 1HE HIS 3 -7.544 10.077 4.400 27 HE2 HIS 3 2HE HIS 3 -7.894 9.710 1.916 28 H ALA 4 H ALA 4 -0.813 9.059 2.593 29 HA ALA 4 HA ALA 4 0.469 6.716 1.673 30 HB1 ALA 4 1HB ALA 4 1.300 9.503 2.261 31 HB2 ALA 4 2HB ALA 4 1.551 8.536 0.807 32 HB3 ALA 4 3HB ALA 4 2.596 8.309 2.210 33 H SER 5 H SER 5 0.684 8.316 4.850 34 HA SER 5 HA SER 5 2.777 6.652 5.873 35 HB2 SER 5 2HB SER 5 2.098 7.444 8.065 36 HB3 SER 5 1HB SER 5 1.974 8.785 6.931 37 HG SER 5 HG SER 5 0.119 8.391 8.373 38 H VAL 6 H VAL 6 -0.728 6.265 5.738 39 HA VAL 6 HA VAL 6 -0.835 3.911 7.402 40 HB VAL 6 HB VAL 6 -2.708 4.953 5.269 41 HG11 VAL 6 1HG1 VAL 6 -4.194 3.340 6.923 42 HG12 VAL 6 2HG1 VAL 6 -2.679 2.444 6.813 43 HG13 VAL 6 3HG1 VAL 6 -3.571 2.850 5.347 44 HG21 VAL 6 1HG2 VAL 6 -3.458 6.326 6.890 45 HG22 VAL 6 2HG2 VAL 6 -2.149 5.764 7.931 46 HG23 VAL 6 3HG2 VAL 6 -3.714 4.953 7.967 47 H ILE 7 H ILE 7 -0.380 4.442 3.935 48 HA ILE 7 HA ILE 7 -0.703 1.761 3.073 49 HB ILE 7 HB ILE 7 1.151 3.904 2.002 50 HG12 ILE 7 2HG1 ILE 7 -1.608 3.039 1.082 51 HG13 ILE 7 1HG1 ILE 7 -1.306 4.448 2.099 52 HG21 ILE 7 1HG2 ILE 7 1.955 2.160 0.781 53 HG22 ILE 7 2HG2 ILE 7 0.439 2.306 -0.109 54 HG23 ILE 7 3HG2 ILE 7 0.588 1.123 1.190 55 HD11 ILE 7 1HD1 ILE 7 0.500 4.664 -0.053 56 HD12 ILE 7 2HD1 ILE 7 -0.939 5.642 0.230 57 HD13 ILE 7 3HD1 ILE 7 -1.041 4.192 -0.769 58 H ALA 8 H ALA 8 2.306 3.442 4.061 59 HA ALA 8 HA ALA 8 3.971 1.121 3.815 60 HB1 ALA 8 1HB ALA 8 4.185 3.767 5.186 61 HB2 ALA 8 2HB ALA 8 5.267 3.026 4.008 62 HB3 ALA 8 3HB ALA 8 5.295 2.492 5.689 63 H GLN 9 H GLN 9 2.319 2.559 6.607 64 HA GLN 9 HA GLN 9 3.119 0.584 8.508 65 HB2 GLN 9 2HB GLN 9 2.154 2.791 9.107 66 HB3 GLN 9 1HB GLN 9 0.600 2.272 8.454 67 HG2 GLN 9 2HG GLN 9 1.375 0.222 10.205 68 HG3 GLN 9 1HG GLN 9 1.764 1.718 11.050 69 HE21 GLN 9 1HE2 GLN 9 -0.923 0.215 9.174 70 HE22 GLN 9 2HE2 GLN 9 -2.161 0.962 10.066 71 H PHE 10 H PHE 10 0.286 0.810 6.393 72 HA PHE 10 HA PHE 10 -1.073 -1.479 7.431 73 HB2 PHE 10 2HB PHE 10 -2.149 0.259 6.031 74 HB3 PHE 10 1HB PHE 10 -1.214 -0.299 4.645 75 HD1 PHE 10 1HD PHE 10 -3.834 -1.250 7.094 76 HD2 PHE 10 2HD PHE 10 -1.799 -2.297 3.460 77 HE1 PHE 10 1HE PHE 10 -5.536 -2.999 6.645 78 HE2 PHE 10 2HE PHE 10 -3.499 -4.046 3.011 79 HZ PHE 10 HZ PHE 10 -5.368 -4.397 4.602 80 H VAL 11 H VAL 11 0.965 -1.163 4.506 81 HA VAL 11 HA VAL 11 0.838 -3.989 3.938 82 HB VAL 11 HB VAL 11 2.502 -3.514 2.233 83 HG11 VAL 11 1HG1 VAL 11 0.158 -2.792 1.851 84 HG12 VAL 11 2HG1 VAL 11 1.312 -1.748 1.019 85 HG13 VAL 11 3HG1 VAL 11 0.556 -1.210 2.517 86 HG21 VAL 11 1HG2 VAL 11 2.964 -1.109 3.949 87 HG22 VAL 11 2HG2 VAL 11 3.191 -0.940 2.209 88 HG23 VAL 11 3HG2 VAL 11 4.134 -2.127 3.111 89 H VAL 12 H VAL 12 3.327 -1.936 5.472 90 HA VAL 12 HA VAL 12 5.270 -4.004 5.797 91 HB VAL 12 HB VAL 12 4.750 -1.511 7.411 92 HG11 VAL 12 1HG1 VAL 12 6.051 -2.752 8.888 93 HG12 VAL 12 2HG1 VAL 12 7.299 -1.959 7.927 94 HG13 VAL 12 3HG1 VAL 12 6.858 -3.633 7.590 95 HG21 VAL 12 1HG2 VAL 12 5.435 -1.484 4.887 96 HG22 VAL 12 2HG2 VAL 12 7.013 -1.989 5.489 97 HG23 VAL 12 3HG2 VAL 12 6.317 -0.457 6.017 98 H GLU 13 H GLU 13 2.526 -3.018 7.787 99 HA GLU 13 HA GLU 13 3.139 -4.502 10.118 100 HB2 GLU 13 2HB GLU 13 1.256 -2.879 9.926 101 HB3 GLU 13 1HB GLU 13 0.395 -4.050 8.936 102 HG2 GLU 13 2HG GLU 13 0.556 -5.686 10.824 103 HG3 GLU 13 1HG GLU 13 1.260 -4.403 11.805 104 H GLU 14 H GLU 14 1.623 -5.507 7.088 105 HA GLU 14 HA GLU 14 0.921 -8.149 7.986 106 HB2 GLU 14 2HB GLU 14 1.426 -7.067 5.201 107 HB3 GLU 14 1HB GLU 14 0.737 -8.654 5.546 108 HG2 GLU 14 2HG GLU 14 -1.111 -7.559 6.795 109 HG3 GLU 14 1HG GLU 14 -0.440 -5.983 6.369 110 H PHE 15 H PHE 15 3.832 -6.801 6.472 111 HA PHE 15 HA PHE 15 5.044 -9.494 6.344 112 HB2 PHE 15 2HB PHE 15 6.289 -6.825 5.629 113 HB3 PHE 15 1HB PHE 15 6.872 -8.427 5.173 114 HD1 PHE 15 1HD PHE 15 5.186 -9.940 3.851 115 HD2 PHE 15 2HD PHE 15 4.848 -5.676 4.211 116 HE1 PHE 15 1HE PHE 15 3.715 -9.888 1.855 117 HE2 PHE 15 2HE PHE 15 3.373 -5.621 2.223 118 HZ PHE 15 HZ PHE 15 2.807 -7.730 1.040 119 H LEU 16 H LEU 16 6.040 -6.333 7.743 120 HA LEU 16 HA LEU 16 7.329 -7.889 9.952 121 HB2 LEU 16 2HB LEU 16 8.538 -6.152 7.999 122 HB3 LEU 16 1HB LEU 16 8.749 -5.466 9.608 123 HG LEU 16 HG LEU 16 9.423 -8.319 8.828 124 HD11 LEU 16 1HD1 LEU 16 11.728 -7.010 9.670 125 HD12 LEU 16 2HD1 LEU 16 10.905 -5.801 8.684 126 HD13 LEU 16 3HD1 LEU 16 11.304 -7.375 7.997 127 HD21 LEU 16 1HD2 LEU 16 9.404 -8.695 11.051 128 HD22 LEU 16 2HD2 LEU 16 9.006 -7.007 11.368 129 HD23 LEU 16 3HD2 LEU 16 10.692 -7.504 11.225 130 HA PRO 17 HA PRO 17 4.745 -4.666 11.928 131 HB2 PRO 17 2HB PRO 17 3.286 -6.337 13.505 132 HB3 PRO 17 1HB PRO 17 2.870 -5.998 11.817 133 HG2 PRO 17 2HG PRO 17 3.940 -8.431 13.005 134 HG3 PRO 17 1HG PRO 17 3.127 -8.190 11.456 135 HD2 PRO 17 2HD PRO 17 5.972 -8.441 11.961 136 HD3 PRO 17 1HD PRO 17 5.137 -8.297 10.398 137 H ASP 18 H ASP 18 6.786 -7.196 13.193 138 HA ASP 18 HA ASP 18 6.700 -6.302 15.959 139 HB2 ASP 18 2HB ASP 18 8.634 -8.064 14.444 140 HB3 ASP 18 1HB ASP 18 8.723 -7.776 16.178 141 H VAL 19 H VAL 19 7.937 -5.001 13.179 142 HA VAL 19 HA VAL 19 10.087 -3.528 14.648 143 HB VAL 19 HB VAL 19 9.770 -3.907 11.650 144 HG11 VAL 19 1HG1 VAL 19 12.261 -3.138 11.852 145 HG12 VAL 19 2HG1 VAL 19 11.761 -2.505 13.420 146 HG13 VAL 19 3HG1 VAL 19 10.987 -1.923 11.947 147 HG21 VAL 19 1HG2 VAL 19 10.346 -6.003 12.930 148 HG22 VAL 19 2HG2 VAL 19 11.783 -5.177 13.533 149 HG23 VAL 19 3HG2 VAL 19 11.604 -5.488 11.806 150 H ALA 20 H ALA 20 9.915 -1.238 14.626 151 HA ALA 20 HA ALA 20 7.318 -0.143 14.283 152 HB1 ALA 20 1HB ALA 20 8.247 1.763 15.104 153 HB2 ALA 20 2HB ALA 20 9.547 1.750 13.914 154 HB3 ALA 20 3HB ALA 20 9.670 0.755 15.364 155 HA PRO 21 HA PRO 21 7.600 -0.097 9.754 156 HB2 PRO 21 2HB PRO 21 5.088 1.204 9.488 157 HB3 PRO 21 1HB PRO 21 5.430 -0.523 9.316 158 HG2 PRO 21 2HG PRO 21 4.064 0.836 11.439 159 HG3 PRO 21 1HG PRO 21 4.267 -0.900 11.170 160 HD2 PRO 21 2HD PRO 21 5.555 0.718 13.141 161 HD3 PRO 21 1HD PRO 21 5.810 -1.006 12.815 162 H ALA 22 H ALA 22 7.003 2.597 11.863 163 HA ALA 22 HA ALA 22 7.278 4.660 9.840 164 HB1 ALA 22 1HB ALA 22 6.990 6.165 11.572 165 HB2 ALA 22 2HB ALA 22 7.928 5.195 12.708 166 HB3 ALA 22 3HB ALA 22 6.275 4.730 12.309 167 H ASP 23 H ASP 23 9.503 2.597 11.413 168 HA ASP 23 HA ASP 23 11.743 4.481 11.293 169 HB2 ASP 23 2HB ASP 23 13.111 2.646 12.090 170 HB3 ASP 23 1HB ASP 23 11.613 2.662 13.019 171 H VAL 24 H VAL 24 10.052 3.132 8.940 172 HA VAL 24 HA VAL 24 12.392 2.299 7.301 173 HB VAL 24 HB VAL 24 9.428 2.126 6.668 174 HG11 VAL 24 1HG1 VAL 24 10.173 0.602 4.882 175 HG12 VAL 24 2HG1 VAL 24 11.852 0.853 5.361 176 HG13 VAL 24 3HG1 VAL 24 10.917 2.190 4.692 177 HG21 VAL 24 1HG2 VAL 24 10.312 -0.440 6.975 178 HG22 VAL 24 2HG2 VAL 24 9.518 0.483 8.252 179 HG23 VAL 24 3HG2 VAL 24 11.279 0.391 8.193 180 H ASP 25 H ASP 25 13.087 3.606 5.629 181 HA ASP 25 HA ASP 25 12.245 6.342 5.561 182 HB2 ASP 25 2HB ASP 25 13.827 4.701 3.560 183 HB3 ASP 25 1HB ASP 25 13.626 6.451 3.466 184 H VAL 26 H VAL 26 9.928 6.230 5.258 185 HA VAL 26 HA VAL 26 8.675 4.904 3.057 186 HB VAL 26 HB VAL 26 6.756 6.332 3.511 187 HG11 VAL 26 1HG1 VAL 26 8.259 4.952 5.580 188 HG12 VAL 26 2HG1 VAL 26 6.516 4.992 5.309 189 HG13 VAL 26 3HG1 VAL 26 7.289 6.256 6.265 190 HG21 VAL 26 1HG2 VAL 26 8.871 8.150 4.405 191 HG22 VAL 26 2HG2 VAL 26 7.542 8.040 5.560 192 HG23 VAL 26 3HG2 VAL 26 7.223 8.516 3.892 193 H ASP 27 H ASP 27 11.018 7.136 2.827 194 HA ASP 27 HA ASP 27 9.817 8.595 0.526 195 HB2 ASP 27 2HB ASP 27 12.415 8.999 2.043 196 HB3 ASP 27 1HB ASP 27 11.924 9.956 0.644 197 H LEU 28 H LEU 28 11.204 5.737 1.033 198 HA LEU 28 HA LEU 28 13.088 5.803 -1.259 199 HB2 LEU 28 2HB LEU 28 13.768 4.648 0.833 200 HB3 LEU 28 1HB LEU 28 12.403 3.550 0.650 201 HG LEU 28 HG LEU 28 13.710 3.505 -1.836 202 HD11 LEU 28 1HD1 LEU 28 15.671 3.382 0.473 203 HD12 LEU 28 2HD1 LEU 28 15.670 4.565 -0.836 204 HD13 LEU 28 3HD1 LEU 28 16.028 2.872 -1.177 205 HD21 LEU 28 1HD2 LEU 28 13.839 1.591 0.518 206 HD22 LEU 28 2HD2 LEU 28 14.267 1.179 -1.143 207 HD23 LEU 28 3HD2 LEU 28 12.603 1.606 -0.741 208 H ASP 29 H ASP 29 12.661 4.696 -3.175 209 HA ASP 29 HA ASP 29 9.942 4.232 -3.892 210 HB2 ASP 29 2HB ASP 29 12.517 3.191 -5.118 211 HB3 ASP 29 1HB ASP 29 10.931 3.020 -5.869 212 H LEU 30 H LEU 30 8.664 2.574 -3.217 213 HA LEU 30 HA LEU 30 9.728 0.397 -1.675 214 HB2 LEU 30 2HB LEU 30 7.460 -0.409 -1.551 215 HB3 LEU 30 1HB LEU 30 7.394 1.350 -1.471 216 HG LEU 30 HG LEU 30 7.300 0.785 -4.210 217 HD11 LEU 30 1HD1 LEU 30 5.696 -0.922 -4.539 218 HD12 LEU 30 2HD1 LEU 30 5.259 -0.960 -2.832 219 HD13 LEU 30 3HD1 LEU 30 6.807 -1.616 -3.363 220 HD21 LEU 30 1HD2 LEU 30 4.999 1.621 -4.016 221 HD22 LEU 30 2HD2 LEU 30 6.071 2.543 -2.963 222 HD23 LEU 30 3HD2 LEU 30 5.016 1.305 -2.282 223 H VAL 31 H VAL 31 10.229 0.865 -4.813 224 HA VAL 31 HA VAL 31 9.371 -1.404 -6.218 225 HB VAL 31 HB VAL 31 10.792 0.564 -7.070 226 HG11 VAL 31 1HG1 VAL 31 13.167 0.380 -6.935 227 HG12 VAL 31 2HG1 VAL 31 13.076 -1.261 -6.295 228 HG13 VAL 31 3HG1 VAL 31 12.580 0.105 -5.295 229 HG21 VAL 31 1HG2 VAL 31 11.666 -2.228 -7.878 230 HG22 VAL 31 2HG2 VAL 31 11.714 -0.777 -8.880 231 HG23 VAL 31 3HG2 VAL 31 10.163 -1.469 -8.406 232 H ASP 32 H ASP 32 12.091 -1.088 -3.964 233 HA ASP 32 HA ASP 32 13.189 -3.692 -4.316 234 HB2 ASP 32 2HB ASP 32 14.180 -1.816 -2.914 235 HB3 ASP 32 1HB ASP 32 12.981 -2.204 -1.679 236 H ASN 33 H ASN 33 10.449 -2.483 -2.492 237 HA ASN 33 HA ASN 33 9.847 -5.110 -1.327 238 HB2 ASN 33 2HB ASN 33 8.243 -2.547 -1.310 239 HB3 ASN 33 1HB ASN 33 7.929 -3.970 -0.320 240 HD21 ASN 33 1HD2 ASN 33 9.046 -1.008 0.122 241 HD22 ASN 33 2HD2 ASN 33 10.307 -1.275 1.225 242 H GLY 34 H GLY 34 9.773 -4.251 -4.334 243 HA2 GLY 34 2HA GLY 34 7.254 -4.233 -5.450 244 HA3 GLY 34 1HA GLY 34 8.583 -5.150 -6.164 245 H VAL 35 H VAL 35 8.531 -6.655 -3.409 246 HA VAL 35 HA VAL 35 7.258 -9.011 -4.278 247 HB VAL 35 HB VAL 35 7.710 -7.938 -1.479 248 HG11 VAL 35 1HG1 VAL 35 6.236 -10.307 -2.420 249 HG12 VAL 35 2HG1 VAL 35 6.221 -9.527 -0.838 250 HG13 VAL 35 3HG1 VAL 35 7.501 -10.670 -1.246 251 HG21 VAL 35 1HG2 VAL 35 9.100 -10.234 -2.859 252 HG22 VAL 35 2HG2 VAL 35 9.657 -9.278 -1.486 253 HG23 VAL 35 3HG2 VAL 35 9.633 -8.572 -3.102 254 H ILE 36 H ILE 36 5.932 -6.210 -2.586 255 HA ILE 36 HA ILE 36 3.331 -7.351 -2.079 256 HB ILE 36 HB ILE 36 4.496 -5.201 -1.101 257 HG12 ILE 36 2HG1 ILE 36 1.556 -5.399 -1.812 258 HG13 ILE 36 1HG1 ILE 36 2.337 -5.978 -0.343 259 HG21 ILE 36 1HG2 ILE 36 2.827 -3.915 -3.259 260 HG22 ILE 36 2HG2 ILE 36 4.539 -4.252 -3.521 261 HG23 ILE 36 3HG2 ILE 36 4.044 -3.172 -2.219 262 HD11 ILE 36 1HD1 ILE 36 3.074 -3.539 0.020 263 HD12 ILE 36 2HD1 ILE 36 1.372 -3.914 0.288 264 HD13 ILE 36 3HD1 ILE 36 1.877 -3.128 -1.207 265 H ASP 37 H ASP 37 4.803 -5.835 -4.839 266 HA ASP 37 HA ASP 37 2.501 -4.919 -6.203 267 HB2 ASP 37 2HB ASP 37 5.081 -6.037 -7.328 268 HB3 ASP 37 1HB ASP 37 3.867 -5.179 -8.273 269 H SER 38 H SER 38 3.849 -8.194 -6.008 270 HA SER 38 HA SER 38 1.694 -9.102 -7.849 271 HB2 SER 38 2HB SER 38 4.085 -10.674 -6.885 272 HB3 SER 38 1HB SER 38 2.996 -11.092 -8.203 273 H LEU 39 H LEU 39 3.308 -10.501 -4.966 274 HA LEU 39 HA LEU 39 1.010 -12.123 -4.368 275 HB2 LEU 39 2HB LEU 39 3.514 -11.444 -2.862 276 HB3 LEU 39 1HB LEU 39 2.245 -12.412 -2.119 277 HG LEU 39 HG LEU 39 4.024 -13.789 -3.229 278 HD11 LEU 39 1HD1 LEU 39 1.355 -14.231 -3.147 279 HD12 LEU 39 2HD1 LEU 39 2.496 -15.379 -3.846 280 HD13 LEU 39 3HD1 LEU 39 1.609 -14.270 -4.892 281 HD21 LEU 39 1HD2 LEU 39 4.319 -12.069 -5.101 282 HD22 LEU 39 2HD2 LEU 39 2.859 -12.750 -5.821 283 HD23 LEU 39 3HD2 LEU 39 4.289 -13.758 -5.601 284 H GLY 40 H GLY 40 2.338 -9.262 -2.696 285 HA2 GLY 40 2HA GLY 40 0.171 -9.088 -0.825 286 HA3 GLY 40 1HA GLY 40 1.289 -7.784 -1.205 287 H LEU 41 H LEU 41 0.716 -7.672 -4.014 288 HA LEU 41 HA LEU 41 -1.452 -5.843 -4.031 289 HB2 LEU 41 2HB LEU 41 0.347 -6.017 -5.775 290 HB3 LEU 41 1HB LEU 41 -0.440 -7.476 -6.378 291 HG LEU 41 HG LEU 41 -2.572 -5.878 -6.395 292 HD11 LEU 41 1HD1 LEU 41 -0.295 -3.956 -6.920 293 HD12 LEU 41 2HD1 LEU 41 -1.193 -4.006 -5.402 294 HD13 LEU 41 3HD1 LEU 41 -2.021 -3.591 -6.903 295 HD21 LEU 41 1HD2 LEU 41 -2.017 -5.347 -8.771 296 HD22 LEU 41 2HD2 LEU 41 -1.676 -7.029 -8.361 297 HD23 LEU 41 3HD2 LEU 41 -0.357 -5.863 -8.470 298 H LEU 42 H LEU 42 -1.321 -9.304 -4.812 299 HA LEU 42 HA LEU 42 -4.051 -9.524 -5.675 300 HB2 LEU 42 2HB LEU 42 -2.269 -11.267 -6.037 301 HB3 LEU 42 1HB LEU 42 -2.370 -11.655 -4.326 302 HG LEU 42 HG LEU 42 -4.937 -11.906 -4.809 303 HD11 LEU 42 1HD1 LEU 42 -4.099 -12.875 -7.472 304 HD12 LEU 42 2HD1 LEU 42 -4.162 -11.122 -7.295 305 HD13 LEU 42 3HD1 LEU 42 -5.600 -12.092 -6.980 306 HD21 LEU 42 1HD2 LEU 42 -2.705 -13.816 -5.478 307 HD22 LEU 42 2HD2 LEU 42 -4.384 -14.310 -5.684 308 HD23 LEU 42 3HD2 LEU 42 -3.795 -13.832 -4.093 309 H LYS 43 H LYS 43 -2.486 -9.934 -2.503 310 HA LYS 43 HA LYS 43 -4.852 -10.668 -1.075 311 HB2 LYS 43 2HB LYS 43 -2.326 -9.290 -0.151 312 HB3 LYS 43 1HB LYS 43 -3.559 -9.929 0.929 313 HG2 LYS 43 2HG LYS 43 -3.230 -12.182 -0.005 314 HG3 LYS 43 1HG LYS 43 -2.012 -11.550 -1.112 315 HD2 LYS 43 2HD LYS 43 -0.892 -12.541 0.813 316 HD3 LYS 43 1HD LYS 43 -0.674 -10.792 0.856 317 HE2 LYS 43 2HE LYS 43 -3.098 -11.771 2.235 318 HE3 LYS 43 1HE LYS 43 -1.574 -12.267 2.971 319 HZ1 LYS 43 1HZ LYS 43 -2.632 -10.004 3.600 320 HZ2 LYS 43 2HZ LYS 43 -1.943 -9.471 2.142 321 HZ3 LYS 43 3HZ LYS 43 -0.955 -10.109 3.368 322 H VAL 44 H VAL 44 -3.404 -7.547 -1.885 323 HA VAL 44 HA VAL 44 -5.030 -5.898 -0.233 324 HB VAL 44 HB VAL 44 -3.759 -5.378 -2.930 325 HG11 VAL 44 1HG1 VAL 44 -5.546 -3.794 -2.719 326 HG12 VAL 44 2HG1 VAL 44 -4.074 -2.948 -2.242 327 HG13 VAL 44 3HG1 VAL 44 -5.196 -3.532 -1.012 328 HG21 VAL 44 1HG2 VAL 44 -2.814 -4.019 -0.491 329 HG22 VAL 44 2HG2 VAL 44 -1.890 -4.827 -1.758 330 HG23 VAL 44 3HG2 VAL 44 -2.618 -5.771 -0.458 331 H ILE 45 H ILE 45 -5.567 -7.090 -3.545 332 HA ILE 45 HA ILE 45 -8.001 -5.704 -4.025 333 HB ILE 45 HB ILE 45 -6.645 -8.115 -5.125 334 HG12 ILE 45 2HG1 ILE 45 -7.126 -6.878 -7.249 335 HG13 ILE 45 1HG1 ILE 45 -7.943 -5.638 -6.300 336 HG21 ILE 45 1HG2 ILE 45 -8.714 -8.451 -6.612 337 HG22 ILE 45 2HG2 ILE 45 -9.603 -7.569 -5.372 338 HG23 ILE 45 3HG2 ILE 45 -8.800 -9.087 -4.970 339 HD11 ILE 45 1HD1 ILE 45 -5.815 -5.341 -4.988 340 HD12 ILE 45 2HD1 ILE 45 -5.670 -4.901 -6.689 341 HD13 ILE 45 3HD1 ILE 45 -5.028 -6.442 -6.119 342 H ALA 46 H ALA 46 -7.447 -8.987 -2.734 343 HA ALA 46 HA ALA 46 -10.208 -9.584 -2.278 344 HB1 ALA 46 1HB ALA 46 -9.036 -11.126 -0.441 345 HB2 ALA 46 2HB ALA 46 -7.586 -10.660 -1.332 346 HB3 ALA 46 3HB ALA 46 -8.905 -11.489 -2.161 347 H TRP 47 H TRP 47 -7.710 -8.160 -0.180 348 HA TRP 47 HA TRP 47 -9.439 -7.986 2.131 349 HB2 TRP 47 2HB TRP 47 -7.219 -7.879 2.762 350 HB3 TRP 47 1HB TRP 47 -6.756 -6.921 1.357 351 HD1 TRP 47 HD TRP 47 -8.339 -6.596 4.824 352 HE1 TRP 47 1HE TRP 47 -8.262 -4.117 5.532 353 HE3 TRP 47 3HE TRP 47 -6.662 -4.496 0.488 354 HZ2 TRP 47 2HZ TRP 47 -7.573 -1.577 4.401 355 HZ3 TRP 47 3HZ TRP 47 -6.300 -2.052 0.329 356 HH2 TRP 47 HH TRP 47 -6.752 -0.596 2.274 357 H LEU 48 H LEU 48 -8.518 -5.717 -0.445 358 HA LEU 48 HA LEU 48 -9.780 -3.412 0.605 359 HB2 LEU 48 2HB LEU 48 -8.270 -3.497 -1.409 360 HB3 LEU 48 1HB LEU 48 -9.599 -4.202 -2.314 361 HG LEU 48 HG LEU 48 -10.933 -2.124 -1.453 362 HD11 LEU 48 1HD1 LEU 48 -9.750 -0.376 -0.594 363 HD12 LEU 48 2HD1 LEU 48 -8.356 -0.692 -1.627 364 HD13 LEU 48 3HD1 LEU 48 -8.594 -1.633 -0.158 365 HD21 LEU 48 1HD2 LEU 48 -9.029 -2.474 -3.699 366 HD22 LEU 48 2HD2 LEU 48 -9.554 -0.817 -3.398 367 HD23 LEU 48 3HD2 LEU 48 -10.746 -2.073 -3.735 368 H GLU 49 H GLU 49 -11.093 -5.956 -1.531 369 HA GLU 49 HA GLU 49 -13.727 -4.819 -1.685 370 HB2 GLU 49 2HB GLU 49 -13.039 -6.485 -3.305 371 HB3 GLU 49 1HB GLU 49 -12.738 -7.665 -2.040 372 HG2 GLU 49 2HG GLU 49 -15.136 -7.649 -1.464 373 HG3 GLU 49 1HG GLU 49 -15.433 -6.481 -2.743 374 H ASP 50 H ASP 50 -12.205 -7.125 0.521 375 HA ASP 50 HA ASP 50 -14.582 -7.767 1.994 376 HB2 ASP 50 2HB ASP 50 -12.426 -9.061 2.026 377 HB3 ASP 50 1HB ASP 50 -11.741 -7.768 3.009 378 H ARG 51 H ARG 51 -12.141 -5.228 2.358 379 HA ARG 51 HA ARG 51 -13.339 -4.298 4.869 380 HB2 ARG 51 2HB ARG 51 -10.891 -4.207 4.479 381 HB3 ARG 51 1HB ARG 51 -11.161 -3.035 3.188 382 HG2 ARG 51 2HG ARG 51 -12.245 -1.509 4.806 383 HG3 ARG 51 1HG ARG 51 -11.944 -2.674 6.096 384 HD2 ARG 51 2HD ARG 51 -9.499 -2.514 5.613 385 HD3 ARG 51 1HD ARG 51 -9.847 -1.256 4.427 386 HE ARG 51 HE ARG 51 -11.030 -0.219 6.639 387 HH11 ARG 51 1HH1 ARG 51 -9.986 0.935 8.276 388 HH12 ARG 51 2HH1 ARG 51 -8.307 0.643 8.588 389 HH21 ARG 51 1HH2 ARG 51 -7.989 -1.759 6.109 390 HH22 ARG 51 2HH2 ARG 51 -7.177 -0.881 7.362 391 H PHE 52 H PHE 52 -12.924 -2.818 1.601 392 HA PHE 52 HA PHE 52 -14.816 -0.707 2.422 393 HB2 PHE 52 2HB PHE 52 -13.198 -1.096 -0.108 394 HB3 PHE 52 1HB PHE 52 -14.207 0.304 0.238 395 HD1 PHE 52 1HD PHE 52 -11.066 -1.403 0.971 396 HD2 PHE 52 2HD PHE 52 -13.649 1.830 2.121 397 HE1 PHE 52 1HE PHE 52 -9.214 -0.384 2.266 398 HE2 PHE 52 2HE PHE 52 -11.797 2.850 3.416 399 HZ PHE 52 HZ PHE 52 -9.578 1.743 3.490 400 H GLY 53 H GLY 53 -15.083 -3.746 0.997 401 HA2 GLY 53 2HA GLY 53 -16.955 -4.763 -0.022 402 HA3 GLY 53 1HA GLY 53 -17.849 -3.276 0.298 403 H ILE 54 H ILE 54 -14.840 -3.084 -1.428 404 HA ILE 54 HA ILE 54 -16.328 -2.145 -3.814 405 HB ILE 54 HB ILE 54 -13.353 -2.126 -3.216 406 HG12 ILE 54 2HG1 ILE 54 -15.346 0.156 -3.097 407 HG13 ILE 54 1HG1 ILE 54 -14.830 -0.757 -1.679 408 HG21 ILE 54 1HG2 ILE 54 -13.591 -0.229 -5.022 409 HG22 ILE 54 2HG2 ILE 54 -15.063 -1.095 -5.462 410 HG23 ILE 54 3HG2 ILE 54 -13.502 -1.912 -5.539 411 HD11 ILE 54 1HD1 ILE 54 -13.506 1.333 -2.001 412 HD12 ILE 54 2HD1 ILE 54 -12.953 0.709 -3.555 413 HD13 ILE 54 3HD1 ILE 54 -12.507 -0.119 -2.062 414 H ALA 55 H ALA 55 -16.143 -3.153 -5.844 415 HA ALA 55 HA ALA 55 -15.749 -5.971 -5.880 416 HB1 ALA 55 1HB ALA 55 -15.530 -5.495 -8.461 417 HB2 ALA 55 2HB ALA 55 -15.985 -3.854 -8.000 418 HB3 ALA 55 3HB ALA 55 -17.067 -5.202 -7.647 419 H ALA 56 H ALA 56 -14.000 -7.228 -6.618 420 HA ALA 56 HA ALA 56 -11.399 -6.318 -5.990 421 HB1 ALA 56 1HB ALA 56 -11.520 -8.633 -6.028 422 HB2 ALA 56 2HB ALA 56 -10.774 -8.342 -7.600 423 HB3 ALA 56 3HB ALA 56 -12.506 -8.660 -7.491 424 H ASP 57 H ASP 57 -13.178 -6.258 -9.036 425 HA ASP 57 HA ASP 57 -12.650 -5.271 -11.097 426 HB2 ASP 57 2HB ASP 57 -10.937 -3.576 -9.268 427 HB3 ASP 57 1HB ASP 57 -11.276 -3.193 -10.953 428 H ASP 58 H ASP 58 -11.302 -7.623 -10.679 429 HA ASP 58 HA ASP 58 -8.553 -7.765 -10.676 430 HB2 ASP 58 2HB ASP 58 -10.490 -9.201 -12.492 431 HB3 ASP 58 1HB ASP 58 -8.790 -9.645 -12.344 432 H VAL 59 H VAL 59 -7.619 -5.853 -11.541 433 HA VAL 59 HA VAL 59 -7.636 -5.723 -14.529 434 HB VAL 59 HB VAL 59 -7.378 -3.389 -12.622 435 HG11 VAL 59 1HG1 VAL 59 -6.176 -3.132 -14.771 436 HG12 VAL 59 2HG1 VAL 59 -7.557 -2.040 -14.671 437 HG13 VAL 59 3HG1 VAL 59 -7.664 -3.510 -15.638 438 HG21 VAL 59 1HG2 VAL 59 -9.627 -3.267 -12.608 439 HG22 VAL 59 2HG2 VAL 59 -9.693 -4.792 -13.492 440 HG23 VAL 59 3HG2 VAL 59 -9.655 -3.263 -14.371 441 H GLU 60 H GLU 60 -5.590 -5.585 -15.476 442 HA GLU 60 HA GLU 60 -3.323 -6.231 -13.776 443 HB2 GLU 60 2HB GLU 60 -3.534 -7.081 -16.102 444 HB3 GLU 60 1HB GLU 60 -3.349 -5.435 -16.699 445 HG2 GLU 60 2HG GLU 60 -1.153 -5.289 -15.598 446 HG3 GLU 60 1HG GLU 60 -1.332 -6.945 -15.037 447 H LEU 61 H LEU 61 -1.893 -4.845 -12.875 448 HA LEU 61 HA LEU 61 -2.065 -1.968 -13.652 449 HB2 LEU 61 2HB LEU 61 -1.108 -3.131 -11.023 450 HB3 LEU 61 1HB LEU 61 -1.421 -1.433 -11.380 451 HG LEU 61 HG LEU 61 -3.447 -3.671 -11.270 452 HD11 LEU 61 1HD1 LEU 61 -3.034 -2.931 -9.071 453 HD12 LEU 61 2HD1 LEU 61 -4.437 -1.986 -9.569 454 HD13 LEU 61 3HD1 LEU 61 -2.832 -1.254 -9.580 455 HD21 LEU 61 1HD2 LEU 61 -3.591 -0.870 -12.351 456 HD22 LEU 61 2HD2 LEU 61 -5.023 -1.608 -11.631 457 HD23 LEU 61 3HD2 LEU 61 -4.255 -2.356 -13.030 458 H SER 62 H SER 62 -0.131 -0.874 -14.099 459 HA SER 62 HA SER 62 2.145 -2.571 -14.781 460 HB2 SER 62 2HB SER 62 1.158 -0.092 -15.661 461 HB3 SER 62 1HB SER 62 2.703 0.273 -14.900 462 HG SER 62 HG SER 62 2.473 -0.550 -17.265 463 HA PRO 63 HA PRO 63 4.408 -2.114 -11.003 464 HB2 PRO 63 2HB PRO 63 6.987 -1.977 -12.008 465 HB3 PRO 63 1HB PRO 63 6.075 -3.478 -11.767 466 HG2 PRO 63 2HG PRO 63 6.549 -1.927 -14.252 467 HG3 PRO 63 1HG PRO 63 6.444 -3.678 -14.013 468 HD2 PRO 63 2HD PRO 63 4.405 -2.230 -15.084 469 HD3 PRO 63 1HD PRO 63 4.130 -3.693 -14.114 470 H GLU 64 H GLU 64 4.744 0.244 -13.541 471 HA GLU 64 HA GLU 64 6.473 2.100 -12.239 472 HB2 GLU 64 2HB GLU 64 4.249 2.572 -14.224 473 HB3 GLU 64 1HB GLU 64 5.438 3.780 -13.762 474 HG2 GLU 64 2HG GLU 64 7.238 2.263 -14.530 475 HG3 GLU 64 1HG GLU 64 6.014 1.115 -15.061 476 H HIS 65 H HIS 65 3.011 1.519 -11.929 477 HA HIS 65 HA HIS 65 2.427 3.940 -10.479 478 HB2 HIS 65 2HB HIS 65 0.662 2.580 -11.543 479 HB3 HIS 65 1HB HIS 65 0.994 1.268 -10.411 480 HD1 HIS 65 1HD HIS 65 0.306 5.020 -10.066 481 HD2 HIS 65 2HD HIS 65 -0.757 1.397 -8.292 482 HE1 HIS 65 1HE HIS 65 -1.295 5.584 -8.184 483 HE2 HIS 65 2HE HIS 65 -1.952 3.387 -7.101 484 H PHE 66 H PHE 66 3.771 0.851 -9.555 485 HA PHE 66 HA PHE 66 3.457 1.513 -6.676 486 HB2 PHE 66 2HB PHE 66 4.621 -0.962 -7.989 487 HB3 PHE 66 1HB PHE 66 4.235 -0.769 -6.278 488 HD1 PHE 66 1HD PHE 66 2.843 -1.117 -9.670 489 HD2 PHE 66 2HD PHE 66 1.933 -0.784 -5.487 490 HE1 PHE 66 1HE PHE 66 0.509 -1.807 -10.125 491 HE2 PHE 66 2HE PHE 66 -0.405 -1.477 -5.941 492 HZ PHE 66 HZ PHE 66 -1.117 -1.989 -8.263 493 H ARG 67 H ARG 67 5.534 2.418 -8.997 494 HA ARG 67 HA ARG 67 8.123 1.751 -8.098 495 HB2 ARG 67 2HB ARG 67 7.602 3.002 -10.202 496 HB3 ARG 67 1HB ARG 67 7.234 4.423 -9.231 497 HG2 ARG 67 2HG ARG 67 9.464 4.794 -9.836 498 HG3 ARG 67 1HG ARG 67 9.627 4.053 -8.250 499 HD2 ARG 67 2HD ARG 67 9.998 1.851 -9.313 500 HD3 ARG 67 1HD ARG 67 9.839 2.598 -10.900 501 HE ARG 67 HE ARG 67 11.853 4.040 -9.594 502 HH11 ARG 67 1HH1 ARG 67 14.031 3.500 -9.861 503 HH12 ARG 67 2HH1 ARG 67 14.458 1.893 -10.347 504 HH21 ARG 67 1HH2 ARG 67 11.176 0.784 -10.501 505 HH22 ARG 67 2HH2 ARG 67 12.841 0.355 -10.709 506 H SER 68 H SER 68 5.945 4.345 -6.995 507 HA SER 68 HA SER 68 7.730 4.653 -4.610 508 HB2 SER 68 2HB SER 68 6.221 6.854 -6.046 509 HB3 SER 68 1HB SER 68 7.183 7.054 -4.585 510 HG SER 68 HG SER 68 8.418 5.790 -6.725 511 H ILE 69 H ILE 69 6.648 4.986 -2.624 512 HA ILE 69 HA ILE 69 4.093 3.778 -2.325 513 HB ILE 69 HB ILE 69 5.522 5.700 -0.466 514 HG12 ILE 69 2HG1 ILE 69 5.550 2.678 -0.533 515 HG13 ILE 69 1HG1 ILE 69 6.846 3.693 -1.149 516 HG21 ILE 69 1HG2 ILE 69 4.017 3.672 0.841 517 HG22 ILE 69 2HG2 ILE 69 2.969 4.450 -0.344 518 HG23 ILE 69 3HG2 ILE 69 3.768 5.416 0.896 519 HD11 ILE 69 1HD1 ILE 69 7.699 3.888 0.920 520 HD12 ILE 69 2HD1 ILE 69 6.415 2.850 1.538 521 HD13 ILE 69 3HD1 ILE 69 6.185 4.597 1.479 522 H ARG 70 H ARG 70 5.081 7.160 -2.664 523 HA ARG 70 HA ARG 70 2.606 8.380 -1.981 524 HB2 ARG 70 2HB ARG 70 4.723 9.267 -3.963 525 HB3 ARG 70 1HB ARG 70 3.424 10.293 -3.353 526 HG2 ARG 70 2HG ARG 70 4.251 9.900 -1.033 527 HG3 ARG 70 1HG ARG 70 5.598 8.976 -1.698 528 HD2 ARG 70 2HD ARG 70 4.987 11.893 -2.263 529 HD3 ARG 70 1HD ARG 70 6.307 11.282 -1.264 530 HE ARG 70 HE ARG 70 6.739 10.041 -3.684 531 HH11 ARG 70 1HH1 ARG 70 7.962 10.956 -5.351 532 HH12 ARG 70 2HH1 ARG 70 8.108 12.678 -5.455 533 HH21 ARG 70 1HH2 ARG 70 6.150 13.279 -2.657 534 HH22 ARG 70 2HH2 ARG 70 7.082 13.994 -3.930 535 H SER 71 H SER 71 3.745 7.016 -5.059 536 HA SER 71 HA SER 71 1.651 7.991 -6.712 537 HB2 SER 71 2HB SER 71 3.721 6.786 -7.499 538 HB3 SER 71 1HB SER 71 2.994 5.283 -6.940 539 HG SER 71 HG SER 71 1.449 5.455 -8.464 540 H ILE 72 H ILE 72 1.824 5.020 -4.744 541 HA ILE 72 HA ILE 72 -0.716 3.983 -5.514 542 HB ILE 72 HB ILE 72 0.792 3.655 -2.902 543 HG12 ILE 72 2HG1 ILE 72 0.772 1.918 -5.391 544 HG13 ILE 72 1HG1 ILE 72 2.067 3.041 -4.973 545 HG21 ILE 72 1HG2 ILE 72 -1.777 2.737 -3.796 546 HG22 ILE 72 2HG2 ILE 72 -0.969 2.422 -2.261 547 HG23 ILE 72 3HG2 ILE 72 -0.692 1.356 -3.639 548 HD11 ILE 72 1HD1 ILE 72 1.200 0.562 -3.477 549 HD12 ILE 72 2HD1 ILE 72 2.206 1.803 -2.731 550 HD13 ILE 72 3HD1 ILE 72 2.790 0.929 -4.147 551 H ASP 73 H ASP 73 0.265 6.221 -2.941 552 HA ASP 73 HA ASP 73 -2.188 6.361 -1.540 553 HB2 ASP 73 2HB ASP 73 -0.013 7.433 -0.848 554 HB3 ASP 73 1HB ASP 73 -0.311 8.682 -2.057 555 H ALA 74 H ALA 74 -1.136 8.049 -4.484 556 HA ALA 74 HA ALA 74 -3.391 9.805 -4.650 557 HB1 ALA 74 1HB ALA 74 -2.692 10.246 -6.886 558 HB2 ALA 74 2HB ALA 74 -1.907 8.674 -7.028 559 HB3 ALA 74 3HB ALA 74 -1.209 9.918 -5.992 560 H PHE 75 H PHE 75 -2.811 6.569 -6.029 561 HA PHE 75 HA PHE 75 -5.312 6.399 -7.414 562 HB2 PHE 75 2HB PHE 75 -3.405 4.848 -7.798 563 HB3 PHE 75 1HB PHE 75 -3.702 4.139 -6.214 564 HD1 PHE 75 1HD PHE 75 -5.126 4.665 -9.597 565 HD2 PHE 75 2HD PHE 75 -5.526 2.622 -5.840 566 HE1 PHE 75 1HE PHE 75 -6.863 3.194 -10.582 567 HE2 PHE 75 2HE PHE 75 -7.263 1.152 -6.823 568 HZ PHE 75 HZ PHE 75 -7.931 1.438 -9.194 569 H VAL 76 H VAL 76 -4.343 5.344 -4.154 570 HA VAL 76 HA VAL 76 -6.872 4.235 -3.436 571 HB VAL 76 HB VAL 76 -4.624 5.396 -1.775 572 HG11 VAL 76 1HG1 VAL 76 -6.604 5.539 -0.431 573 HG12 VAL 76 2HG1 VAL 76 -5.743 4.089 0.085 574 HG13 VAL 76 3HG1 VAL 76 -7.152 3.951 -0.965 575 HG21 VAL 76 1HG2 VAL 76 -4.141 3.348 -3.115 576 HG22 VAL 76 2HG2 VAL 76 -5.492 2.540 -2.322 577 HG23 VAL 76 3HG2 VAL 76 -4.087 3.039 -1.380 578 H VAL 77 H VAL 77 -5.509 7.512 -2.964 579 HA VAL 77 HA VAL 77 -7.719 8.546 -1.486 580 HB VAL 77 HB VAL 77 -5.662 9.862 -3.275 581 HG11 VAL 77 1HG1 VAL 77 -7.520 11.346 -3.315 582 HG12 VAL 77 2HG1 VAL 77 -6.450 11.969 -2.059 583 HG13 VAL 77 3HG1 VAL 77 -7.888 11.049 -1.617 584 HG21 VAL 77 1HG2 VAL 77 -5.075 8.742 -1.020 585 HG22 VAL 77 2HG2 VAL 77 -5.986 10.057 -0.276 586 HG23 VAL 77 3HG2 VAL 77 -4.557 10.412 -1.248 587 H GLY 78 H GLY 78 -7.042 8.467 -4.976 588 HA2 GLY 78 2HA GLY 78 -9.272 10.006 -5.822 589 HA3 GLY 78 1HA GLY 78 -8.461 8.792 -6.808 590 H ALA 79 H ALA 79 -9.057 6.619 -4.854 591 HA ALA 79 HA ALA 79 -11.868 6.205 -5.708 592 HB1 ALA 79 1HB ALA 79 -9.568 4.425 -5.085 593 HB2 ALA 79 2HB ALA 79 -10.776 4.296 -6.364 594 HB3 ALA 79 3HB ALA 79 -11.178 3.808 -4.717 595 H THR 80 H THR 80 -9.847 5.844 -2.789 596 HA THR 80 HA THR 80 -12.283 6.403 -1.180 597 HB THR 80 HB THR 80 -11.902 3.910 -1.343 598 HG1 THR 80 1HG THR 80 -12.752 3.894 0.557 599 HG21 THR 80 1HG2 THR 80 -9.458 4.522 0.334 600 HG22 THR 80 2HG2 THR 80 -9.396 4.106 -1.377 601 HG23 THR 80 3HG2 THR 80 -10.006 2.937 -0.207 602 H THR 81 H THR 81 -11.802 7.261 0.934 603 HA THR 81 HA THR 81 -8.960 7.961 1.426 604 HB THR 81 HB THR 81 -10.019 9.848 0.208 605 HG1 THR 81 1HG THR 81 -8.892 11.102 1.444 606 HG21 THR 81 1HG2 THR 81 -11.703 10.610 2.501 607 HG22 THR 81 2HG2 THR 81 -12.265 9.179 1.637 608 HG23 THR 81 3HG2 THR 81 -12.044 10.701 0.773 609 HA PRO 82 HA PRO 82 -11.048 6.642 5.296 610 HB2 PRO 82 2HB PRO 82 -8.981 5.134 6.260 611 HB3 PRO 82 1HB PRO 82 -10.180 4.519 5.109 612 HG2 PRO 82 2HG PRO 82 -7.380 5.335 4.670 613 HG3 PRO 82 1HG PRO 82 -8.361 4.140 3.811 614 HD2 PRO 82 2HD PRO 82 -7.771 6.743 2.920 615 HD3 PRO 82 1HD PRO 82 -9.008 5.665 2.246 616 HA PRO 83 HA PRO 83 -9.286 9.524 8.182 617 HB2 PRO 83 2HB PRO 83 -8.905 7.435 10.251 618 HB3 PRO 83 1HB PRO 83 -9.878 8.914 10.309 619 HG2 PRO 83 2HG PRO 83 -10.969 6.470 10.096 620 HG3 PRO 83 1HG PRO 83 -11.700 7.914 9.378 621 HD2 PRO 83 2HD PRO 83 -10.245 5.682 8.046 622 HD3 PRO 83 1HD PRO 83 -11.551 6.716 7.430 623 H VAL 84 H VAL 84 -7.238 10.241 8.971 624 HA VAL 84 HA VAL 84 -4.970 8.449 8.243 625 HB VAL 84 HB VAL 84 -4.953 11.436 8.765 626 HG11 VAL 84 1HG1 VAL 84 -2.767 11.331 7.634 627 HG12 VAL 84 2HG1 VAL 84 -2.938 9.586 7.453 628 HG13 VAL 84 3HG1 VAL 84 -2.780 10.293 9.060 629 HG21 VAL 84 1HG2 VAL 84 -5.021 11.739 6.380 630 HG22 VAL 84 2HG2 VAL 84 -6.359 10.665 6.791 631 HG23 VAL 84 3HG2 VAL 84 -4.879 10.004 6.097 632 H GLU 85 H GLU 85 -3.642 7.683 9.820 633 HA GLU 85 HA GLU 85 -3.767 8.961 12.512 634 HB2 GLU 85 2HB GLU 85 -3.684 5.988 11.915 635 HB3 GLU 85 1HB GLU 85 -3.626 6.710 13.522 636 HG2 GLU 85 2HG GLU 85 -5.843 7.757 13.105 637 HG3 GLU 85 1HG GLU 85 -5.908 6.948 11.539 638 H ALA 86 H ALA 86 -1.779 8.871 13.696 639 HA ALA 86 HA ALA 86 0.597 8.973 12.081 640 HB1 ALA 86 1HB ALA 86 0.952 8.470 14.974 641 HB2 ALA 86 2HB ALA 86 -0.059 9.861 14.582 642 HB3 ALA 86 3HB ALA 86 1.593 9.772 13.971 643 H LYS 87 H LYS 87 2.290 7.447 11.892 644 HA LYS 87 HA LYS 87 1.586 4.701 11.850 645 HB2 LYS 87 2HB LYS 87 4.318 6.004 12.029 646 HB3 LYS 87 1HB LYS 87 4.057 4.293 11.693 647 HG2 LYS 87 2HG LYS 87 2.674 4.936 9.711 648 HG3 LYS 87 1HG LYS 87 3.083 6.625 10.018 649 HD2 LYS 87 2HD LYS 87 5.490 6.062 9.807 650 HD3 LYS 87 1HD LYS 87 5.052 4.396 9.429 651 HE2 LYS 87 2HE LYS 87 5.399 5.469 7.322 652 HE3 LYS 87 1HE LYS 87 3.652 5.341 7.515 653 HZ1 LYS 87 1HZ LYS 87 5.318 7.682 7.416 654 HZ2 LYS 87 2HZ LYS 87 4.225 7.693 8.717 655 HZ3 LYS 87 3HZ LYS 87 3.655 7.524 7.125 656 H LEU 88 H LEU 88 3.041 6.674 14.392 657 HA LEU 88 HA LEU 88 3.876 4.589 16.130 658 HB2 LEU 88 2HB LEU 88 2.722 7.290 16.899 659 HB3 LEU 88 1HB LEU 88 3.725 6.259 17.920 660 HG LEU 88 HG LEU 88 4.561 7.541 15.301 661 HD11 LEU 88 1HD1 LEU 88 4.933 8.186 18.190 662 HD12 LEU 88 2HD1 LEU 88 4.797 9.269 16.804 663 HD13 LEU 88 3HD1 LEU 88 6.316 8.434 17.124 664 HD21 LEU 88 1HD2 LEU 88 5.803 5.465 17.079 665 HD22 LEU 88 2HD2 LEU 88 6.852 6.623 16.261 666 HD23 LEU 88 3HD2 LEU 88 5.799 5.567 15.319 667 H GLN 89 H GLN 89 0.695 6.039 15.596 668 HA GLN 89 HA GLN 89 -0.480 4.388 17.750 669 HB2 GLN 89 2HB GLN 89 -1.236 6.746 17.378 670 HB3 GLN 89 1HB GLN 89 -1.847 6.263 15.796 671 HG2 GLN 89 2HG GLN 89 -3.345 4.625 16.857 672 HG3 GLN 89 1HG GLN 89 -2.723 5.074 18.445 673 HE21 GLN 89 1HE2 GLN 89 -5.431 5.421 18.136 674 HE22 GLN 89 2HE2 GLN 89 -5.816 7.064 17.951 675 H1 PN7 101 3HO SAT 101 3.846 -7.705 -13.976 676 H2 PN7 101 1H1 SAT 101 4.612 -6.850 -9.646 677 H3 PN7 101 2H1 SAT 101 3.046 -7.627 -9.413 678 H5 PN7 101 1HE1 SAT 101 4.990 -5.547 -11.887 679 H6 PN7 101 2HE1 SAT 101 4.387 -4.723 -10.449 680 H7 PN7 101 3HE1 SAT 101 3.623 -4.440 -12.012 681 H8 PN7 101 2HE2 SAT 101 1.049 -6.511 -10.681 682 H9 PN7 101 3HE2 SAT 101 1.580 -4.866 -11.032 683 H10 PN7 101 1HE2 SAT 101 1.972 -5.608 -9.481 684 H11 PN7 101 3H SAT 101 2.357 -7.998 -12.234 685 H12 PN7 101 5H SAT 101 2.373 -4.396 -14.020 686 H13 PN7 101 1H6 SAT 101 4.382 -5.833 -14.915 687 H14 PN7 101 2H6 SAT 101 3.089 -6.915 -15.435 688 H15 PN7 101 1H7 SAT 101 3.548 -4.056 -16.330 689 H16 PN7 101 2H7 SAT 101 2.099 -4.985 -16.722 690 H17 PN7 101 9H SAT 101 4.907 -7.086 -16.661 691 H18 PN7 101 1H10 SAT 101 3.069 -8.124 -18.574 692 H19 PN7 101 2H10 SAT 101 4.555 -7.689 -19.418 693 H20 PN7 101 1H11 SAT 101 5.623 -9.042 -17.347 694 H21 PN7 101 2H11 SAT 101 5.130 -9.839 -18.841 695 H22 PN7 101 2HS1 SAT 101 2.697 -10.000 -17.367 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -0.621 13.353 0.258 2 H2 MET 1 2HT MET 1 -0.422 12.069 -0.838 3 H3 MET 1 3HT MET 1 0.880 13.106 -0.493 4 HA MET 1 HA MET 1 0.535 10.728 0.662 5 HB2 MET 1 2HB MET 1 1.757 13.243 1.836 6 HB3 MET 1 1HB MET 1 2.071 11.611 2.430 7 HG2 MET 1 2HG MET 1 2.822 10.997 0.106 8 HG3 MET 1 1HG MET 1 2.694 12.702 -0.326 9 HE1 MET 1 1HE MET 1 5.165 14.552 1.729 10 HE2 MET 1 2HE MET 1 3.789 14.026 2.695 11 HE3 MET 1 3HE MET 1 3.548 14.497 1.014 12 H GLN 2 H GLN 2 -2.045 12.175 0.847 13 HA GLN 2 HA GLN 2 -2.655 12.920 3.524 14 HB2 GLN 2 2HB GLN 2 -4.433 11.635 1.427 15 HB3 GLN 2 1HB GLN 2 -5.012 12.402 2.906 16 HG2 GLN 2 2HG GLN 2 -4.007 14.537 2.209 17 HG3 GLN 2 1HG GLN 2 -3.395 13.776 0.739 18 HE21 GLN 2 1HE2 GLN 2 -5.192 15.977 0.564 19 HE22 GLN 2 2HE2 GLN 2 -6.675 15.423 -0.049 20 H HIS 3 H HIS 3 -2.642 9.753 1.926 21 HA HIS 3 HA HIS 3 -2.944 8.502 4.629 22 HB2 HIS 3 2HB HIS 3 -3.935 7.301 2.033 23 HB3 HIS 3 1HB HIS 3 -4.259 6.735 3.672 24 HD1 HIS 3 1HD HIS 3 -5.365 8.899 5.208 25 HD2 HIS 3 2HD HIS 3 -6.094 8.731 1.104 26 HE1 HIS 3 1HE HIS 3 -7.415 10.330 4.783 27 HE2 HIS 3 2HE HIS 3 -7.865 10.235 2.289 28 H ALA 4 H ALA 4 -0.706 9.158 2.458 29 HA ALA 4 HA ALA 4 0.401 6.683 1.615 30 HB1 ALA 4 1HB ALA 4 2.620 8.033 1.728 31 HB2 ALA 4 2HB ALA 4 1.592 9.389 2.189 32 HB3 ALA 4 3HB ALA 4 1.359 8.594 0.632 33 H SER 5 H SER 5 0.723 8.434 4.686 34 HA SER 5 HA SER 5 2.817 6.829 5.779 35 HB2 SER 5 2HB SER 5 2.131 7.699 7.936 36 HB3 SER 5 1HB SER 5 1.972 8.991 6.751 37 HG SER 5 HG SER 5 0.117 8.041 8.339 38 H VAL 6 H VAL 6 -0.676 6.369 5.613 39 HA VAL 6 HA VAL 6 -0.807 4.123 7.396 40 HB VAL 6 HB VAL 6 -2.573 4.937 5.083 41 HG11 VAL 6 1HG1 VAL 6 -2.743 2.685 7.067 42 HG12 VAL 6 2HG1 VAL 6 -3.088 2.667 5.338 43 HG13 VAL 6 3HG1 VAL 6 -4.221 3.428 6.455 44 HG21 VAL 6 1HG2 VAL 6 -3.991 5.894 6.765 45 HG22 VAL 6 2HG2 VAL 6 -2.356 6.452 7.121 46 HG23 VAL 6 3HG2 VAL 6 -3.065 5.139 8.062 47 H ILE 7 H ILE 7 -0.178 4.446 3.943 48 HA ILE 7 HA ILE 7 -0.293 1.661 3.307 49 HB ILE 7 HB ILE 7 1.333 3.861 2.005 50 HG12 ILE 7 2HG1 ILE 7 -1.405 2.762 1.291 51 HG13 ILE 7 1HG1 ILE 7 -1.144 4.266 2.175 52 HG21 ILE 7 1HG2 ILE 7 0.584 1.051 1.187 53 HG22 ILE 7 2HG2 ILE 7 2.181 1.801 1.193 54 HG23 ILE 7 3HG2 ILE 7 0.984 2.282 -0.011 55 HD11 ILE 7 1HD1 ILE 7 -0.962 3.768 -0.679 56 HD12 ILE 7 2HD1 ILE 7 0.544 4.445 -0.059 57 HD13 ILE 7 3HD1 ILE 7 -0.976 5.305 0.183 58 H ALA 8 H ALA 8 2.416 3.741 4.338 59 HA ALA 8 HA ALA 8 4.449 1.755 4.036 60 HB1 ALA 8 1HB ALA 8 4.225 4.407 5.180 61 HB2 ALA 8 2HB ALA 8 5.641 3.604 4.504 62 HB3 ALA 8 3HB ALA 8 5.219 3.364 6.200 63 H GLN 9 H GLN 9 2.628 2.724 6.968 64 HA GLN 9 HA GLN 9 3.822 0.632 8.557 65 HB2 GLN 9 2HB GLN 9 1.797 1.115 10.089 66 HB3 GLN 9 1HB GLN 9 2.953 2.421 9.826 67 HG2 GLN 9 2HG GLN 9 1.400 3.706 8.822 68 HG3 GLN 9 1HG GLN 9 0.891 2.385 7.776 69 HE21 GLN 9 1HE2 GLN 9 -0.109 0.505 9.551 70 HE22 GLN 9 2HE2 GLN 9 -1.406 1.154 10.432 71 H PHE 10 H PHE 10 0.733 0.914 6.830 72 HA PHE 10 HA PHE 10 -0.355 -1.579 7.646 73 HB2 PHE 10 2HB PHE 10 -1.590 0.197 6.381 74 HB3 PHE 10 1HB PHE 10 -0.674 -0.245 4.941 75 HD1 PHE 10 1HD PHE 10 -1.156 -2.259 3.712 76 HD2 PHE 10 2HD PHE 10 -3.174 -1.421 7.411 77 HE1 PHE 10 1HE PHE 10 -2.772 -4.081 3.244 78 HE2 PHE 10 2HE PHE 10 -4.788 -3.245 6.944 79 HZ PHE 10 HZ PHE 10 -4.588 -4.573 4.859 80 H VAL 11 H VAL 11 1.765 -0.761 4.914 81 HA VAL 11 HA VAL 11 1.881 -3.465 3.901 82 HB VAL 11 HB VAL 11 3.758 -1.122 3.489 83 HG11 VAL 11 1HG1 VAL 11 4.415 -2.361 1.441 84 HG12 VAL 11 2HG1 VAL 11 3.396 -3.706 1.951 85 HG13 VAL 11 3HG1 VAL 11 4.810 -3.261 2.906 86 HG21 VAL 11 1HG2 VAL 11 1.845 -2.024 1.405 87 HG22 VAL 11 2HG2 VAL 11 2.338 -0.389 1.848 88 HG23 VAL 11 3HG2 VAL 11 1.133 -1.240 2.815 89 H VAL 12 H VAL 12 4.197 -1.504 5.806 90 HA VAL 12 HA VAL 12 6.141 -3.584 6.117 91 HB VAL 12 HB VAL 12 5.523 -1.150 7.787 92 HG11 VAL 12 1HG1 VAL 12 6.673 -2.525 9.308 93 HG12 VAL 12 2HG1 VAL 12 7.977 -1.613 8.548 94 HG13 VAL 12 3HG1 VAL 12 7.647 -3.268 8.038 95 HG21 VAL 12 1HG2 VAL 12 8.010 -1.474 6.190 96 HG22 VAL 12 2HG2 VAL 12 7.025 -0.036 6.454 97 HG23 VAL 12 3HG2 VAL 12 6.516 -1.250 5.280 98 H GLU 13 H GLU 13 3.301 -2.699 8.022 99 HA GLU 13 HA GLU 13 3.826 -4.377 10.257 100 HB2 GLU 13 2HB GLU 13 1.324 -3.253 9.042 101 HB3 GLU 13 1HB GLU 13 1.230 -4.370 10.398 102 HG2 GLU 13 2HG GLU 13 2.689 -2.913 11.729 103 HG3 GLU 13 1HG GLU 13 2.817 -1.795 10.377 104 H GLU 14 H GLU 14 2.518 -5.058 7.075 105 HA GLU 14 HA GLU 14 1.460 -7.655 7.681 106 HB2 GLU 14 2HB GLU 14 0.967 -6.364 5.589 107 HB3 GLU 14 1HB GLU 14 2.615 -6.688 5.049 108 HG2 GLU 14 2HG GLU 14 2.161 -9.132 5.244 109 HG3 GLU 14 1HG GLU 14 0.489 -8.760 5.667 110 H PHE 15 H PHE 15 4.694 -6.483 6.936 111 HA PHE 15 HA PHE 15 5.696 -9.288 6.917 112 HB2 PHE 15 2HB PHE 15 7.213 -6.747 6.278 113 HB3 PHE 15 1HB PHE 15 7.727 -8.403 5.953 114 HD1 PHE 15 1HD PHE 15 6.416 -9.807 4.305 115 HD2 PHE 15 2HD PHE 15 5.754 -5.599 4.816 116 HE1 PHE 15 1HE PHE 15 5.220 -9.731 2.131 117 HE2 PHE 15 2HE PHE 15 4.557 -5.519 2.654 118 HZ PHE 15 HZ PHE 15 4.290 -7.585 1.304 119 H LEU 16 H LEU 16 6.743 -6.130 8.291 120 HA LEU 16 HA LEU 16 7.620 -7.642 10.720 121 HB2 LEU 16 2HB LEU 16 9.288 -6.471 8.829 122 HB3 LEU 16 1HB LEU 16 9.248 -5.294 10.138 123 HG LEU 16 HG LEU 16 11.041 -6.872 10.578 124 HD11 LEU 16 1HD1 LEU 16 9.053 -6.230 12.351 125 HD12 LEU 16 2HD1 LEU 16 10.537 -7.078 12.787 126 HD13 LEU 16 3HD1 LEU 16 9.063 -7.990 12.461 127 HD21 LEU 16 1HD2 LEU 16 9.506 -9.268 11.039 128 HD22 LEU 16 2HD2 LEU 16 10.877 -9.032 9.954 129 HD23 LEU 16 3HD2 LEU 16 9.238 -8.711 9.387 130 HA PRO 17 HA PRO 17 5.172 -4.057 12.208 131 HB2 PRO 17 2HB PRO 17 3.625 -5.554 13.953 132 HB3 PRO 17 1HB PRO 17 3.177 -5.161 12.287 133 HG2 PRO 17 2HG PRO 17 3.900 -7.704 13.411 134 HG3 PRO 17 1HG PRO 17 3.292 -7.331 11.797 135 HD2 PRO 17 2HD PRO 17 6.035 -7.908 12.621 136 HD3 PRO 17 1HD PRO 17 5.363 -7.791 10.980 137 H ASP 18 H ASP 18 7.147 -6.443 13.718 138 HA ASP 18 HA ASP 18 6.980 -5.392 16.424 139 HB2 ASP 18 2HB ASP 18 8.979 -7.202 15.060 140 HB3 ASP 18 1HB ASP 18 9.019 -6.813 16.775 141 H VAL 19 H VAL 19 8.261 -4.196 13.616 142 HA VAL 19 HA VAL 19 10.379 -2.656 15.062 143 HB VAL 19 HB VAL 19 10.094 -3.123 12.074 144 HG11 VAL 19 1HG1 VAL 19 12.725 -2.429 12.802 145 HG12 VAL 19 2HG1 VAL 19 11.682 -1.325 13.699 146 HG13 VAL 19 3HG1 VAL 19 11.563 -1.420 11.941 147 HG21 VAL 19 1HG2 VAL 19 10.877 -4.977 13.972 148 HG22 VAL 19 2HG2 VAL 19 12.412 -4.263 13.477 149 HG23 VAL 19 3HG2 VAL 19 11.354 -5.001 12.274 150 H ALA 20 H ALA 20 10.223 -0.363 14.940 151 HA ALA 20 HA ALA 20 7.629 0.724 14.564 152 HB1 ALA 20 1HB ALA 20 8.662 2.417 15.622 153 HB2 ALA 20 2HB ALA 20 9.509 2.799 14.123 154 HB3 ALA 20 3HB ALA 20 10.236 1.693 15.289 155 HA PRO 21 HA PRO 21 7.891 0.601 10.038 156 HB2 PRO 21 2HB PRO 21 5.372 1.842 9.712 157 HB3 PRO 21 1HB PRO 21 5.730 0.112 9.654 158 HG2 PRO 21 2HG PRO 21 4.375 1.614 11.700 159 HG3 PRO 21 1HG PRO 21 4.541 -0.137 11.516 160 HD2 PRO 21 2HD PRO 21 5.863 1.535 13.406 161 HD3 PRO 21 1HD PRO 21 6.114 -0.201 13.138 162 H ALA 22 H ALA 22 7.212 3.387 12.023 163 HA ALA 22 HA ALA 22 7.485 5.356 9.908 164 HB1 ALA 22 1HB ALA 22 6.306 5.947 11.957 165 HB2 ALA 22 2HB ALA 22 7.742 6.961 11.817 166 HB3 ALA 22 3HB ALA 22 7.737 5.587 12.923 167 H ASP 23 H ASP 23 9.672 3.375 11.605 168 HA ASP 23 HA ASP 23 11.959 5.200 11.420 169 HB2 ASP 23 2HB ASP 23 11.750 2.255 12.115 170 HB3 ASP 23 1HB ASP 23 13.254 3.176 12.158 171 H VAL 24 H VAL 24 10.242 3.613 9.155 172 HA VAL 24 HA VAL 24 12.601 2.742 7.569 173 HB VAL 24 HB VAL 24 9.641 2.433 6.972 174 HG11 VAL 24 1HG1 VAL 24 10.667 2.183 4.905 175 HG12 VAL 24 2HG1 VAL 24 10.787 0.534 5.516 176 HG13 VAL 24 3HG1 VAL 24 12.179 1.611 5.609 177 HG21 VAL 24 1HG2 VAL 24 10.027 1.086 8.872 178 HG22 VAL 24 2HG2 VAL 24 11.660 0.669 8.355 179 HG23 VAL 24 3HG2 VAL 24 10.268 -0.027 7.525 180 H ASP 25 H ASP 25 13.245 3.912 5.777 181 HA ASP 25 HA ASP 25 12.296 6.612 5.485 182 HB2 ASP 25 2HB ASP 25 14.021 4.895 3.677 183 HB3 ASP 25 1HB ASP 25 13.743 6.620 3.434 184 H VAL 26 H VAL 26 9.998 6.354 5.122 185 HA VAL 26 HA VAL 26 8.905 4.800 2.975 186 HB VAL 26 HB VAL 26 6.884 6.134 3.282 187 HG11 VAL 26 1HG1 VAL 26 8.048 6.000 6.046 188 HG12 VAL 26 2HG1 VAL 26 7.860 4.511 5.119 189 HG13 VAL 26 3HG1 VAL 26 6.451 5.507 5.484 190 HG21 VAL 26 1HG2 VAL 26 7.626 8.370 3.370 191 HG22 VAL 26 2HG2 VAL 26 8.820 8.020 4.620 192 HG23 VAL 26 3HG2 VAL 26 7.104 8.056 5.025 193 H ASP 27 H ASP 27 11.111 7.152 2.676 194 HA ASP 27 HA ASP 27 9.882 8.500 0.334 195 HB2 ASP 27 2HB ASP 27 12.537 8.899 1.749 196 HB3 ASP 27 1HB ASP 27 12.016 9.824 0.341 197 H LEU 28 H LEU 28 11.308 5.641 0.888 198 HA LEU 28 HA LEU 28 13.045 5.642 -1.518 199 HB2 LEU 28 2HB LEU 28 13.872 4.591 0.578 200 HB3 LEU 28 1HB LEU 28 12.535 3.449 0.512 201 HG LEU 28 HG LEU 28 14.127 3.674 -1.976 202 HD11 LEU 28 1HD1 LEU 28 15.953 3.821 -0.385 203 HD12 LEU 28 2HD1 LEU 28 15.911 2.178 -1.023 204 HD13 LEU 28 3HD1 LEU 28 15.268 2.517 0.584 205 HD21 LEU 28 1HD2 LEU 28 12.213 2.003 -1.200 206 HD22 LEU 28 2HD2 LEU 28 13.561 1.152 -0.450 207 HD23 LEU 28 3HD2 LEU 28 13.551 1.428 -2.191 208 H ASP 29 H ASP 29 12.483 4.535 -3.381 209 HA ASP 29 HA ASP 29 9.734 3.982 -3.868 210 HB2 ASP 29 2HB ASP 29 12.217 3.003 -5.312 211 HB3 ASP 29 1HB ASP 29 10.575 2.808 -5.925 212 H LEU 30 H LEU 30 8.558 2.306 -3.105 213 HA LEU 30 HA LEU 30 9.731 0.162 -1.626 214 HB2 LEU 30 2HB LEU 30 7.499 -0.712 -1.432 215 HB3 LEU 30 1HB LEU 30 7.364 1.045 -1.397 216 HG LEU 30 HG LEU 30 7.238 0.441 -4.114 217 HD11 LEU 30 1HD1 LEU 30 5.292 -1.407 -2.750 218 HD12 LEU 30 2HD1 LEU 30 6.896 -1.989 -3.194 219 HD13 LEU 30 3HD1 LEU 30 5.805 -1.387 -4.436 220 HD21 LEU 30 1HD2 LEU 30 5.917 2.124 -2.874 221 HD22 LEU 30 2HD2 LEU 30 4.967 0.831 -2.142 222 HD23 LEU 30 3HD2 LEU 30 4.883 1.111 -3.881 223 H VAL 31 H VAL 31 10.053 0.645 -4.815 224 HA VAL 31 HA VAL 31 9.270 -1.688 -6.151 225 HB VAL 31 HB VAL 31 10.528 0.367 -7.075 226 HG11 VAL 31 1HG1 VAL 31 12.946 -1.349 -6.487 227 HG12 VAL 31 2HG1 VAL 31 12.452 -0.035 -5.419 228 HG13 VAL 31 3HG1 VAL 31 12.908 0.309 -7.088 229 HG21 VAL 31 1HG2 VAL 31 11.402 -0.931 -8.948 230 HG22 VAL 31 2HG2 VAL 31 9.902 -1.671 -8.389 231 HG23 VAL 31 3HG2 VAL 31 11.454 -2.387 -7.953 232 H ASP 32 H ASP 32 12.041 -1.186 -4.002 233 HA ASP 32 HA ASP 32 13.337 -3.685 -4.420 234 HB2 ASP 32 2HB ASP 32 13.088 -2.003 -1.904 235 HB3 ASP 32 1HB ASP 32 14.177 -3.382 -2.066 236 H ASN 33 H ASN 33 10.585 -2.746 -2.442 237 HA ASN 33 HA ASN 33 10.252 -5.451 -1.347 238 HB2 ASN 33 2HB ASN 33 8.455 -3.025 -1.160 239 HB3 ASN 33 1HB ASN 33 8.295 -4.502 -0.214 240 HD21 ASN 33 1HD2 ASN 33 9.844 -1.430 -0.339 241 HD22 ASN 33 2HD2 ASN 33 10.904 -1.661 0.966 242 H GLY 34 H GLY 34 9.969 -4.490 -4.309 243 HA2 GLY 34 2HA GLY 34 7.416 -4.628 -5.320 244 HA3 GLY 34 1HA GLY 34 8.777 -5.409 -6.124 245 H VAL 35 H VAL 35 8.949 -7.077 -3.461 246 HA VAL 35 HA VAL 35 7.775 -9.443 -4.428 247 HB VAL 35 HB VAL 35 9.334 -9.090 -2.384 248 HG11 VAL 35 1HG1 VAL 35 8.310 -8.737 -0.282 249 HG12 VAL 35 2HG1 VAL 35 6.698 -9.053 -0.925 250 HG13 VAL 35 3HG1 VAL 35 7.536 -7.561 -1.345 251 HG21 VAL 35 1HG2 VAL 35 8.944 -11.327 -2.554 252 HG22 VAL 35 2HG2 VAL 35 7.230 -11.092 -2.899 253 HG23 VAL 35 3HG2 VAL 35 7.806 -11.071 -1.232 254 H ILE 36 H ILE 36 6.364 -6.806 -2.584 255 HA ILE 36 HA ILE 36 3.832 -8.095 -2.042 256 HB ILE 36 HB ILE 36 4.905 -5.959 -0.974 257 HG12 ILE 36 2HG1 ILE 36 1.990 -6.297 -1.705 258 HG13 ILE 36 1HG1 ILE 36 2.793 -6.730 -0.198 259 HG21 ILE 36 1HG2 ILE 36 3.238 -4.612 -3.098 260 HG22 ILE 36 2HG2 ILE 36 4.958 -4.906 -3.352 261 HG23 ILE 36 3HG2 ILE 36 4.426 -3.892 -2.011 262 HD11 ILE 36 1HD1 ILE 36 1.820 -4.089 -1.125 263 HD12 ILE 36 2HD1 ILE 36 3.376 -4.085 -0.294 264 HD13 ILE 36 3HD1 ILE 36 1.947 -4.730 0.514 265 H ASP 37 H ASP 37 5.180 -6.422 -4.765 266 HA ASP 37 HA ASP 37 2.848 -5.509 -6.057 267 HB2 ASP 37 2HB ASP 37 5.398 -6.582 -7.287 268 HB3 ASP 37 1HB ASP 37 4.161 -5.684 -8.160 269 H SER 38 H SER 38 4.187 -8.797 -5.975 270 HA SER 38 HA SER 38 2.005 -9.632 -7.821 271 HB2 SER 38 2HB SER 38 4.550 -11.030 -6.996 272 HB3 SER 38 1HB SER 38 3.316 -11.752 -8.026 273 H LEU 39 H LEU 39 3.628 -11.138 -4.996 274 HA LEU 39 HA LEU 39 1.292 -12.732 -4.431 275 HB2 LEU 39 2HB LEU 39 3.764 -12.144 -2.809 276 HB3 LEU 39 1HB LEU 39 2.514 -13.265 -2.285 277 HG LEU 39 HG LEU 39 2.933 -14.238 -4.754 278 HD11 LEU 39 1HD1 LEU 39 5.383 -14.188 -5.206 279 HD12 LEU 39 2HD1 LEU 39 5.571 -13.008 -3.909 280 HD13 LEU 39 3HD1 LEU 39 4.638 -12.596 -5.347 281 HD21 LEU 39 1HD2 LEU 39 3.085 -15.576 -2.740 282 HD22 LEU 39 2HD2 LEU 39 4.579 -14.769 -2.265 283 HD23 LEU 39 3HD2 LEU 39 4.559 -15.831 -3.673 284 H GLY 40 H GLY 40 2.742 -9.977 -2.689 285 HA2 GLY 40 2HA GLY 40 0.625 -9.786 -0.766 286 HA3 GLY 40 1HA GLY 40 1.769 -8.502 -1.147 287 H LEU 41 H LEU 41 1.122 -8.324 -3.937 288 HA LEU 41 HA LEU 41 -0.974 -6.420 -3.876 289 HB2 LEU 41 2HB LEU 41 0.745 -6.572 -5.654 290 HB3 LEU 41 1HB LEU 41 -0.002 -8.059 -6.237 291 HG LEU 41 HG LEU 41 -2.173 -6.450 -6.238 292 HD11 LEU 41 1HD1 LEU 41 -1.460 -4.241 -7.143 293 HD12 LEU 41 2HD1 LEU 41 0.208 -4.646 -6.742 294 HD13 LEU 41 3HD1 LEU 41 -0.991 -4.474 -5.459 295 HD21 LEU 41 1HD2 LEU 41 -1.332 -7.761 -8.143 296 HD22 LEU 41 2HD2 LEU 41 -0.050 -6.579 -8.401 297 HD23 LEU 41 3HD2 LEU 41 -1.734 -6.121 -8.654 298 H LEU 42 H LEU 42 -1.018 -9.871 -4.720 299 HA LEU 42 HA LEU 42 -3.779 -9.913 -5.513 300 HB2 LEU 42 2HB LEU 42 -2.131 -11.730 -6.024 301 HB3 LEU 42 1HB LEU 42 -2.152 -12.173 -4.324 302 HG LEU 42 HG LEU 42 -4.642 -12.484 -4.496 303 HD11 LEU 42 1HD1 LEU 42 -5.252 -12.933 -7.035 304 HD12 LEU 42 2HD1 LEU 42 -3.972 -11.757 -7.319 305 HD13 LEU 42 3HD1 LEU 42 -5.377 -11.314 -6.353 306 HD21 LEU 42 1HD2 LEU 42 -2.963 -14.357 -4.679 307 HD22 LEU 42 2HD2 LEU 42 -3.038 -14.182 -6.432 308 HD23 LEU 42 3HD2 LEU 42 -4.474 -14.670 -5.533 309 H LYS 43 H LYS 43 -2.155 -10.479 -2.399 310 HA LYS 43 HA LYS 43 -4.554 -11.195 -0.984 311 HB2 LYS 43 2HB LYS 43 -1.899 -10.143 -0.010 312 HB3 LYS 43 1HB LYS 43 -3.163 -10.770 1.040 313 HG2 LYS 43 2HG LYS 43 -3.084 -12.926 -0.219 314 HG3 LYS 43 1HG LYS 43 -1.727 -12.292 -1.151 315 HD2 LYS 43 2HD LYS 43 -0.477 -11.947 0.986 316 HD3 LYS 43 1HD LYS 43 -1.807 -12.718 1.851 317 HE2 LYS 43 2HE LYS 43 -1.457 -14.800 0.704 318 HE3 LYS 43 1HE LYS 43 -0.325 -14.056 -0.425 319 HZ1 LYS 43 1HZ LYS 43 1.069 -15.041 1.097 320 HZ2 LYS 43 2HZ LYS 43 0.052 -14.715 2.419 321 HZ3 LYS 43 3HZ LYS 43 0.962 -13.465 1.716 322 H VAL 44 H VAL 44 -2.780 -8.087 -1.236 323 HA VAL 44 HA VAL 44 -4.593 -6.725 0.542 324 HB VAL 44 HB VAL 44 -3.498 -4.656 -0.400 325 HG11 VAL 44 1HG1 VAL 44 -1.562 -6.825 0.438 326 HG12 VAL 44 2HG1 VAL 44 -2.649 -6.010 1.562 327 HG13 VAL 44 3HG1 VAL 44 -1.406 -5.091 0.714 328 HG21 VAL 44 1HG2 VAL 44 -1.290 -5.914 -1.656 329 HG22 VAL 44 2HG2 VAL 44 -2.460 -4.817 -2.388 330 HG23 VAL 44 3HG2 VAL 44 -2.743 -6.557 -2.418 331 H ILE 45 H ILE 45 -4.398 -6.874 -3.023 332 HA ILE 45 HA ILE 45 -6.402 -4.943 -3.557 333 HB ILE 45 HB ILE 45 -5.229 -7.243 -5.035 334 HG12 ILE 45 2HG1 ILE 45 -4.734 -5.536 -6.653 335 HG13 ILE 45 1HG1 ILE 45 -5.888 -4.424 -5.921 336 HG21 ILE 45 1HG2 ILE 45 -6.893 -6.749 -6.915 337 HG22 ILE 45 2HG2 ILE 45 -7.906 -6.009 -5.677 338 HG23 ILE 45 3HG2 ILE 45 -7.489 -7.719 -5.569 339 HD11 ILE 45 1HD1 ILE 45 -4.479 -3.892 -4.176 340 HD12 ILE 45 2HD1 ILE 45 -3.270 -4.275 -5.400 341 HD13 ILE 45 3HD1 ILE 45 -3.703 -5.474 -4.185 342 H ALA 46 H ALA 46 -6.746 -8.476 -3.121 343 HA ALA 46 HA ALA 46 -9.568 -8.538 -3.505 344 HB1 ALA 46 1HB ALA 46 -9.165 -10.587 -1.762 345 HB2 ALA 46 2HB ALA 46 -7.520 -10.332 -2.344 346 HB3 ALA 46 3HB ALA 46 -8.814 -10.690 -3.487 347 H TRP 47 H TRP 47 -7.632 -8.006 -0.562 348 HA TRP 47 HA TRP 47 -9.987 -7.922 1.149 349 HB2 TRP 47 2HB TRP 47 -8.180 -8.470 2.446 350 HB3 TRP 47 1HB TRP 47 -7.060 -7.517 1.474 351 HD1 TRP 47 HD TRP 47 -9.677 -7.148 4.253 352 HE1 TRP 47 1HE TRP 47 -9.257 -4.916 5.476 353 HE3 TRP 47 3HE TRP 47 -6.034 -5.179 1.276 354 HZ2 TRP 47 2HZ TRP 47 -7.584 -2.604 5.225 355 HZ3 TRP 47 3HZ TRP 47 -5.039 -2.973 1.785 356 HH2 TRP 47 HH TRP 47 -5.809 -1.684 3.752 357 H LEU 48 H LEU 48 -7.737 -5.436 -0.097 358 HA LEU 48 HA LEU 48 -9.055 -3.211 1.062 359 HB2 LEU 48 2HB LEU 48 -6.793 -3.191 -0.030 360 HB3 LEU 48 1HB LEU 48 -7.596 -3.277 -1.588 361 HG LEU 48 HG LEU 48 -8.918 -1.194 -0.724 362 HD11 LEU 48 1HD1 LEU 48 -7.462 -1.671 1.522 363 HD12 LEU 48 2HD1 LEU 48 -8.101 -0.086 1.092 364 HD13 LEU 48 3HD1 LEU 48 -6.431 -0.498 0.707 365 HD21 LEU 48 1HD2 LEU 48 -6.625 0.133 -1.331 366 HD22 LEU 48 2HD2 LEU 48 -7.644 -0.645 -2.544 367 HD23 LEU 48 3HD2 LEU 48 -6.221 -1.480 -1.920 368 H GLU 49 H GLU 49 -9.512 -4.700 -2.159 369 HA GLU 49 HA GLU 49 -11.553 -2.853 -2.969 370 HB2 GLU 49 2HB GLU 49 -10.782 -5.626 -3.883 371 HB3 GLU 49 1HB GLU 49 -12.134 -4.758 -4.592 372 HG2 GLU 49 2HG GLU 49 -9.659 -4.550 -5.579 373 HG3 GLU 49 1HG GLU 49 -10.789 -3.199 -5.606 374 H ASP 50 H ASP 50 -11.635 -5.974 -1.288 375 HA ASP 50 HA ASP 50 -14.470 -6.318 -1.321 376 HB2 ASP 50 2HB ASP 50 -12.828 -8.081 -0.661 377 HB3 ASP 50 1HB ASP 50 -12.537 -7.190 0.832 378 H ARG 51 H ARG 51 -12.317 -4.589 0.889 379 HA ARG 51 HA ARG 51 -14.206 -3.973 2.908 380 HB2 ARG 51 2HB ARG 51 -11.797 -2.438 1.901 381 HB3 ARG 51 1HB ARG 51 -12.695 -2.003 3.349 382 HG2 ARG 51 2HG ARG 51 -11.692 -4.813 3.031 383 HG3 ARG 51 1HG ARG 51 -10.575 -3.550 3.546 384 HD2 ARG 51 2HD ARG 51 -13.199 -4.244 4.907 385 HD3 ARG 51 1HD ARG 51 -11.592 -4.662 5.496 386 HE ARG 51 HE ARG 51 -12.845 -2.028 5.660 387 HH11 ARG 51 1HH1 ARG 51 -11.625 -0.454 6.730 388 HH12 ARG 51 2HH1 ARG 51 -9.944 -0.742 7.038 389 HH21 ARG 51 1HH2 ARG 51 -9.936 -3.875 5.553 390 HH22 ARG 51 2HH2 ARG 51 -8.988 -2.678 6.371 391 H PHE 52 H PHE 52 -13.485 -2.318 -0.155 392 HA PHE 52 HA PHE 52 -15.586 -0.320 0.452 393 HB2 PHE 52 2HB PHE 52 -13.549 -0.567 -1.773 394 HB3 PHE 52 1HB PHE 52 -14.790 0.682 -1.734 395 HD1 PHE 52 1HD PHE 52 -14.863 2.307 0.188 396 HD2 PHE 52 2HD PHE 52 -11.607 -0.432 -0.392 397 HE1 PHE 52 1HE PHE 52 -13.455 3.659 1.716 398 HE2 PHE 52 2HE PHE 52 -10.198 0.919 1.138 399 HZ PHE 52 HZ PHE 52 -11.122 2.965 2.193 400 H GLY 53 H GLY 53 -15.535 -3.373 -0.792 401 HA2 GLY 53 2HA GLY 53 -17.185 -4.557 -1.989 402 HA3 GLY 53 1HA GLY 53 -18.147 -3.076 -2.009 403 H ILE 54 H ILE 54 -14.853 -3.451 -3.238 404 HA ILE 54 HA ILE 54 -15.854 -2.586 -5.911 405 HB ILE 54 HB ILE 54 -13.024 -2.612 -4.818 406 HG12 ILE 54 2HG1 ILE 54 -14.827 -0.213 -5.206 407 HG13 ILE 54 1HG1 ILE 54 -14.720 -1.067 -3.666 408 HG21 ILE 54 1HG2 ILE 54 -14.314 -1.618 -7.354 409 HG22 ILE 54 2HG2 ILE 54 -12.862 -2.601 -7.167 410 HG23 ILE 54 3HG2 ILE 54 -12.825 -0.887 -6.755 411 HD11 ILE 54 1HD1 ILE 54 -13.147 0.785 -3.623 412 HD12 ILE 54 2HD1 ILE 54 -12.443 0.271 -5.156 413 HD13 ILE 54 3HD1 ILE 54 -12.233 -0.722 -3.713 414 H ALA 55 H ALA 55 -15.218 -3.758 -7.794 415 HA ALA 55 HA ALA 55 -14.519 -6.586 -7.258 416 HB1 ALA 55 1HB ALA 55 -14.790 -6.025 -10.057 417 HB2 ALA 55 2HB ALA 55 -16.111 -5.228 -9.202 418 HB3 ALA 55 3HB ALA 55 -15.867 -6.966 -9.026 419 H ALA 56 H ALA 56 -12.412 -7.224 -7.420 420 HA ALA 56 HA ALA 56 -10.324 -5.433 -8.193 421 HB1 ALA 56 1HB ALA 56 -9.709 -7.207 -6.742 422 HB2 ALA 56 2HB ALA 56 -8.940 -7.601 -8.279 423 HB3 ALA 56 3HB ALA 56 -10.423 -8.425 -7.799 424 H ASP 57 H ASP 57 -12.012 -7.996 -9.965 425 HA ASP 57 HA ASP 57 -10.364 -7.983 -12.290 426 HB2 ASP 57 2HB ASP 57 -13.301 -8.610 -11.960 427 HB3 ASP 57 1HB ASP 57 -12.388 -8.921 -13.435 428 H ASP 58 H ASP 58 -13.135 -5.974 -11.371 429 HA ASP 58 HA ASP 58 -13.591 -4.706 -13.852 430 HB2 ASP 58 2HB ASP 58 -13.866 -3.655 -11.038 431 HB3 ASP 58 1HB ASP 58 -14.446 -2.786 -12.458 432 H VAL 59 H VAL 59 -11.186 -3.976 -11.353 433 HA VAL 59 HA VAL 59 -9.995 -1.973 -13.234 434 HB VAL 59 HB VAL 59 -9.763 -2.045 -10.224 435 HG11 VAL 59 1HG1 VAL 59 -9.195 0.496 -11.365 436 HG12 VAL 59 2HG1 VAL 59 -8.285 -0.703 -12.285 437 HG13 VAL 59 3HG1 VAL 59 -8.078 -0.588 -10.537 438 HG21 VAL 59 1HG2 VAL 59 -11.090 0.280 -11.239 439 HG22 VAL 59 2HG2 VAL 59 -11.729 -0.949 -10.148 440 HG23 VAL 59 3HG2 VAL 59 -11.895 -1.146 -11.892 441 H GLU 60 H GLU 60 -7.901 -2.315 -13.848 442 HA GLU 60 HA GLU 60 -6.477 -4.616 -12.578 443 HB2 GLU 60 2HB GLU 60 -6.958 -4.810 -15.020 444 HB3 GLU 60 1HB GLU 60 -5.997 -3.360 -15.294 445 HG2 GLU 60 2HG GLU 60 -4.052 -4.482 -14.256 446 HG3 GLU 60 1HG GLU 60 -5.015 -5.943 -14.073 447 H LEU 61 H LEU 61 -4.470 -4.261 -11.668 448 HA LEU 61 HA LEU 61 -3.517 -1.440 -11.651 449 HB2 LEU 61 2HB LEU 61 -2.766 -3.661 -9.736 450 HB3 LEU 61 1HB LEU 61 -2.479 -1.934 -9.540 451 HG LEU 61 HG LEU 61 -5.149 -3.340 -9.555 452 HD11 LEU 61 1HD1 LEU 61 -5.317 -2.417 -7.281 453 HD12 LEU 61 2HD1 LEU 61 -3.732 -1.666 -7.462 454 HD13 LEU 61 3HD1 LEU 61 -3.877 -3.424 -7.436 455 HD21 LEU 61 1HD2 LEU 61 -5.602 -1.335 -10.699 456 HD22 LEU 61 2HD2 LEU 61 -4.403 -0.430 -9.776 457 HD23 LEU 61 3HD2 LEU 61 -5.922 -0.908 -9.018 458 H SER 62 H SER 62 -1.315 -0.998 -12.088 459 HA SER 62 HA SER 62 0.165 -3.242 -13.386 460 HB2 SER 62 2HB SER 62 -0.425 -0.560 -14.246 461 HB3 SER 62 1HB SER 62 1.320 -0.752 -14.097 462 HG SER 62 HG SER 62 0.795 -1.485 -16.104 463 HA PRO 63 HA PRO 63 3.424 -2.956 -10.456 464 HB2 PRO 63 2HB PRO 63 5.661 -2.945 -12.099 465 HB3 PRO 63 1HB PRO 63 4.751 -4.395 -11.637 466 HG2 PRO 63 2HG PRO 63 4.674 -2.831 -14.154 467 HG3 PRO 63 1HG PRO 63 4.491 -4.573 -13.895 468 HD2 PRO 63 2HD PRO 63 2.374 -2.925 -14.400 469 HD3 PRO 63 1HD PRO 63 2.233 -4.403 -13.427 470 H GLU 64 H GLU 64 3.586 -0.665 -13.132 471 HA GLU 64 HA GLU 64 5.542 1.098 -12.031 472 HB2 GLU 64 2HB GLU 64 4.716 1.174 -14.388 473 HB3 GLU 64 1HB GLU 64 3.200 1.831 -13.792 474 HG2 GLU 64 2HG GLU 64 4.454 3.712 -12.770 475 HG3 GLU 64 1HG GLU 64 5.931 3.078 -13.485 476 H HIS 65 H HIS 65 2.126 0.679 -11.403 477 HA HIS 65 HA HIS 65 1.698 3.196 -10.075 478 HB2 HIS 65 2HB HIS 65 -0.185 1.858 -10.856 479 HB3 HIS 65 1HB HIS 65 0.271 0.538 -9.779 480 HD1 HIS 65 1HD HIS 65 -0.934 0.537 -7.604 481 HD2 HIS 65 2HD HIS 65 -0.670 4.383 -9.199 482 HE1 HIS 65 1HE HIS 65 -2.173 2.063 -6.006 483 HE2 HIS 65 2HE HIS 65 -2.011 4.406 -6.962 484 H PHE 66 H PHE 66 3.115 0.166 -9.046 485 HA PHE 66 HA PHE 66 3.050 1.057 -6.215 486 HB2 PHE 66 2HB PHE 66 3.895 -1.556 -7.500 487 HB3 PHE 66 1HB PHE 66 3.973 -1.231 -5.769 488 HD1 PHE 66 1HD PHE 66 1.902 -0.799 -4.471 489 HD2 PHE 66 2HD PHE 66 1.789 -1.958 -8.603 490 HE1 PHE 66 1HE PHE 66 -0.505 -1.345 -4.248 491 HE2 PHE 66 2HE PHE 66 -0.616 -2.510 -8.380 492 HZ PHE 66 HZ PHE 66 -1.766 -2.199 -6.205 493 H ARG 67 H ARG 67 4.919 1.815 -8.717 494 HA ARG 67 HA ARG 67 7.575 1.150 -8.019 495 HB2 ARG 67 2HB ARG 67 6.886 2.321 -10.122 496 HB3 ARG 67 1HB ARG 67 6.608 3.783 -9.182 497 HG2 ARG 67 2HG ARG 67 8.781 4.110 -9.987 498 HG3 ARG 67 1HG ARG 67 9.073 3.432 -8.390 499 HD2 ARG 67 2HD ARG 67 9.344 1.186 -9.387 500 HD3 ARG 67 1HD ARG 67 9.050 1.867 -10.986 501 HE ARG 67 HE ARG 67 11.537 2.041 -9.489 502 HH11 ARG 67 1HH1 ARG 67 13.207 3.188 -10.491 503 HH12 ARG 67 2HH1 ARG 67 12.845 4.227 -11.829 504 HH21 ARG 67 1HH2 ARG 67 9.447 3.543 -11.782 505 HH22 ARG 67 2HH2 ARG 67 10.717 4.428 -12.560 506 H SER 68 H SER 68 5.507 3.802 -6.847 507 HA SER 68 HA SER 68 7.470 4.190 -4.620 508 HB2 SER 68 2HB SER 68 5.881 6.352 -6.030 509 HB3 SER 68 1HB SER 68 6.954 6.597 -4.656 510 HG SER 68 HG SER 68 8.307 5.241 -6.461 511 H ILE 69 H ILE 69 6.535 4.555 -2.569 512 HA ILE 69 HA ILE 69 3.955 3.440 -2.097 513 HB ILE 69 HB ILE 69 5.583 5.287 -0.330 514 HG12 ILE 69 2HG1 ILE 69 5.508 2.267 -0.445 515 HG13 ILE 69 1HG1 ILE 69 6.800 3.257 -1.105 516 HG21 ILE 69 1HG2 ILE 69 3.000 4.155 -0.038 517 HG22 ILE 69 2HG2 ILE 69 3.940 5.035 1.167 518 HG23 ILE 69 3HG2 ILE 69 4.086 3.282 1.040 519 HD11 ILE 69 1HD1 ILE 69 7.408 2.462 1.138 520 HD12 ILE 69 2HD1 ILE 69 5.940 3.183 1.797 521 HD13 ILE 69 3HD1 ILE 69 7.211 4.214 1.139 522 H ARG 70 H ARG 70 5.073 6.798 -2.376 523 HA ARG 70 HA ARG 70 2.650 8.068 -1.588 524 HB2 ARG 70 2HB ARG 70 4.775 8.990 -3.547 525 HB3 ARG 70 1HB ARG 70 3.519 10.022 -2.864 526 HG2 ARG 70 2HG ARG 70 4.358 9.450 -0.577 527 HG3 ARG 70 1HG ARG 70 5.682 8.556 -1.327 528 HD2 ARG 70 2HD ARG 70 5.104 11.515 -1.666 529 HD3 ARG 70 1HD ARG 70 6.438 10.812 -0.751 530 HE ARG 70 HE ARG 70 6.536 9.839 -3.441 531 HH11 ARG 70 1HH1 ARG 70 8.064 10.745 -4.840 532 HH12 ARG 70 2HH1 ARG 70 8.758 12.286 -4.463 533 HH21 ARG 70 1HH2 ARG 70 6.963 12.671 -1.521 534 HH22 ARG 70 2HH2 ARG 70 8.135 13.377 -2.585 535 H SER 71 H SER 71 3.710 6.812 -4.737 536 HA SER 71 HA SER 71 1.661 7.934 -6.335 537 HB2 SER 71 2HB SER 71 2.905 5.186 -6.635 538 HB3 SER 71 1HB SER 71 2.129 6.132 -7.900 539 HG SER 71 HG SER 71 3.832 7.774 -7.067 540 H ILE 72 H ILE 72 1.677 5.004 -4.327 541 HA ILE 72 HA ILE 72 -0.860 3.999 -5.152 542 HB ILE 72 HB ILE 72 0.489 3.749 -2.447 543 HG12 ILE 72 2HG1 ILE 72 0.685 1.937 -4.872 544 HG13 ILE 72 1HG1 ILE 72 1.926 3.101 -4.406 545 HG21 ILE 72 1HG2 ILE 72 -1.926 3.049 -2.621 546 HG22 ILE 72 2HG2 ILE 72 -0.823 1.738 -2.206 547 HG23 ILE 72 3HG2 ILE 72 -1.438 1.887 -3.851 548 HD11 ILE 72 1HD1 ILE 72 1.866 1.939 -2.094 549 HD12 ILE 72 2HD1 ILE 72 2.651 1.081 -3.418 550 HD13 ILE 72 3HD1 ILE 72 1.018 0.635 -2.925 551 H ASP 73 H ASP 73 0.079 6.234 -2.541 552 HA ASP 73 HA ASP 73 -2.483 6.499 -1.346 553 HB2 ASP 73 2HB ASP 73 -0.286 7.391 -0.451 554 HB3 ASP 73 1HB ASP 73 -0.439 8.717 -1.605 555 H ALA 74 H ALA 74 -1.050 8.200 -4.122 556 HA ALA 74 HA ALA 74 -3.164 10.113 -4.412 557 HB1 ALA 74 1HB ALA 74 -1.173 8.973 -6.383 558 HB2 ALA 74 2HB ALA 74 -1.104 10.533 -5.561 559 HB3 ALA 74 3HB ALA 74 -2.317 10.247 -6.809 560 H PHE 75 H PHE 75 -2.645 6.933 -5.951 561 HA PHE 75 HA PHE 75 -5.016 7.018 -7.549 562 HB2 PHE 75 2HB PHE 75 -3.162 5.380 -7.868 563 HB3 PHE 75 1HB PHE 75 -3.666 4.577 -6.385 564 HD1 PHE 75 1HD PHE 75 -4.686 5.437 -9.841 565 HD2 PHE 75 2HD PHE 75 -5.619 3.176 -6.310 566 HE1 PHE 75 1HE PHE 75 -6.400 4.167 -11.106 567 HE2 PHE 75 2HE PHE 75 -7.333 1.908 -7.575 568 HZ PHE 75 HZ PHE 75 -7.724 2.403 -9.974 569 H VAL 76 H VAL 76 -4.411 5.626 -4.319 570 HA VAL 76 HA VAL 76 -7.078 4.693 -3.910 571 HB VAL 76 HB VAL 76 -4.883 5.489 -1.983 572 HG11 VAL 76 1HG1 VAL 76 -6.291 4.104 -0.362 573 HG12 VAL 76 2HG1 VAL 76 -7.612 4.284 -1.515 574 HG13 VAL 76 3HG1 VAL 76 -6.907 5.708 -0.751 575 HG21 VAL 76 1HG2 VAL 76 -4.775 2.983 -1.712 576 HG22 VAL 76 2HG2 VAL 76 -4.332 3.544 -3.324 577 HG23 VAL 76 3HG2 VAL 76 -5.926 2.843 -3.040 578 H VAL 77 H VAL 77 -5.472 7.771 -3.061 579 HA VAL 77 HA VAL 77 -7.624 8.918 -1.618 580 HB VAL 77 HB VAL 77 -5.455 10.160 -3.322 581 HG11 VAL 77 1HG1 VAL 77 -7.715 11.362 -1.782 582 HG12 VAL 77 2HG1 VAL 77 -6.969 11.903 -3.285 583 HG13 VAL 77 3HG1 VAL 77 -6.151 12.176 -1.746 584 HG21 VAL 77 1HG2 VAL 77 -5.631 10.430 -0.358 585 HG22 VAL 77 2HG2 VAL 77 -4.209 10.257 -1.387 586 HG23 VAL 77 3HG2 VAL 77 -5.186 8.844 -0.990 587 H GLY 78 H GLY 78 -6.901 8.929 -5.095 588 HA2 GLY 78 2HA GLY 78 -8.974 10.695 -5.900 589 HA3 GLY 78 1HA GLY 78 -8.252 9.461 -6.930 590 H ALA 79 H ALA 79 -9.078 7.243 -5.118 591 HA ALA 79 HA ALA 79 -11.934 7.191 -5.961 592 HB1 ALA 79 1HB ALA 79 -10.779 4.675 -5.010 593 HB2 ALA 79 2HB ALA 79 -9.906 5.368 -6.378 594 HB3 ALA 79 3HB ALA 79 -11.630 5.023 -6.515 595 H THR 80 H THR 80 -9.879 6.217 -3.209 596 HA THR 80 HA THR 80 -12.267 6.625 -1.454 597 HB THR 80 HB THR 80 -11.742 4.678 -0.189 598 HG1 THR 80 1HG THR 80 -9.799 3.847 -0.141 599 HG21 THR 80 1HG2 THR 80 -12.305 3.075 -1.726 600 HG22 THR 80 2HG2 THR 80 -11.031 3.554 -2.847 601 HG23 THR 80 3HG2 THR 80 -12.525 4.487 -2.759 602 H THR 81 H THR 81 -11.714 7.266 0.752 603 HA THR 81 HA THR 81 -8.914 8.185 1.118 604 HB THR 81 HB THR 81 -10.238 10.073 0.194 605 HG1 THR 81 1HG THR 81 -9.837 11.463 2.094 606 HG21 THR 81 1HG2 THR 81 -12.289 9.050 1.700 607 HG22 THR 81 2HG2 THR 81 -12.270 10.675 1.012 608 HG23 THR 81 3HG2 THR 81 -11.776 10.421 2.686 609 HA PRO 82 HA PRO 82 -10.521 6.009 4.866 610 HB2 PRO 82 2HB PRO 82 -7.669 5.496 5.343 611 HB3 PRO 82 1HB PRO 82 -9.001 4.343 5.179 612 HG2 PRO 82 2HG PRO 82 -7.068 4.665 3.314 613 HG3 PRO 82 1HG PRO 82 -8.714 4.127 2.940 614 HD2 PRO 82 2HD PRO 82 -7.460 6.800 2.495 615 HD3 PRO 82 1HD PRO 82 -8.713 5.964 1.550 616 HA PRO 83 HA PRO 83 -9.758 9.173 7.854 617 HB2 PRO 83 2HB PRO 83 -9.351 7.625 10.142 618 HB3 PRO 83 1HB PRO 83 -10.929 8.114 9.501 619 HG2 PRO 83 2HG PRO 83 -9.498 5.531 9.242 620 HG3 PRO 83 1HG PRO 83 -11.234 5.858 9.367 621 HD2 PRO 83 2HD PRO 83 -10.050 5.198 7.011 622 HD3 PRO 83 1HD PRO 83 -11.460 6.278 7.096 623 H VAL 84 H VAL 84 -8.012 10.220 8.964 624 HA VAL 84 HA VAL 84 -5.367 8.997 8.400 625 HB VAL 84 HB VAL 84 -6.049 11.795 9.352 626 HG11 VAL 84 1HG1 VAL 84 -3.580 10.338 9.121 627 HG12 VAL 84 2HG1 VAL 84 -3.828 12.005 9.641 628 HG13 VAL 84 3HG1 VAL 84 -3.594 11.640 7.931 629 HG21 VAL 84 1HG2 VAL 84 -6.667 10.720 6.909 630 HG22 VAL 84 2HG2 VAL 84 -5.046 11.345 6.609 631 HG23 VAL 84 3HG2 VAL 84 -6.318 12.426 7.178 632 H GLU 85 H GLU 85 -4.142 8.158 9.999 633 HA GLU 85 HA GLU 85 -4.686 8.970 12.808 634 HB2 GLU 85 2HB GLU 85 -4.333 6.119 11.828 635 HB3 GLU 85 1HB GLU 85 -4.481 6.609 13.517 636 HG2 GLU 85 2HG GLU 85 -6.717 7.579 13.012 637 HG3 GLU 85 1HG GLU 85 -6.573 6.993 11.354 638 H ALA 86 H ALA 86 -2.795 8.263 14.251 639 HA ALA 86 HA ALA 86 -0.351 9.259 13.255 640 HB1 ALA 86 1HB ALA 86 -1.046 8.768 15.701 641 HB2 ALA 86 2HB ALA 86 0.641 8.492 15.265 642 HB3 ALA 86 3HB ALA 86 -0.471 7.130 15.393 643 H LYS 87 H LYS 87 1.384 8.303 12.197 644 HA LYS 87 HA LYS 87 0.944 5.992 10.608 645 HB2 LYS 87 2HB LYS 87 2.668 7.761 10.159 646 HB3 LYS 87 1HB LYS 87 3.631 7.092 11.477 647 HG2 LYS 87 2HG LYS 87 3.690 4.907 10.322 648 HG3 LYS 87 1HG LYS 87 2.748 5.588 8.996 649 HD2 LYS 87 2HD LYS 87 4.548 7.278 8.633 650 HD3 LYS 87 1HD LYS 87 5.504 6.484 9.884 651 HE2 LYS 87 2HE LYS 87 4.591 5.297 7.250 652 HE3 LYS 87 1HE LYS 87 6.249 5.617 7.759 653 HZ1 LYS 87 1HZ LYS 87 6.192 3.486 8.397 654 HZ2 LYS 87 2HZ LYS 87 4.496 3.422 8.442 655 HZ3 LYS 87 3HZ LYS 87 5.360 4.071 9.754 656 H LEU 88 H LEU 88 2.429 6.364 13.797 657 HA LEU 88 HA LEU 88 3.552 3.767 14.044 658 HB2 LEU 88 2HB LEU 88 2.254 5.434 16.224 659 HB3 LEU 88 1HB LEU 88 3.412 4.125 16.465 660 HG LEU 88 HG LEU 88 3.938 6.733 15.009 661 HD11 LEU 88 1HD1 LEU 88 4.508 5.679 17.745 662 HD12 LEU 88 2HD1 LEU 88 4.140 7.326 17.230 663 HD13 LEU 88 3HD1 LEU 88 5.754 6.660 16.972 664 HD21 LEU 88 1HD2 LEU 88 5.312 5.219 13.883 665 HD22 LEU 88 2HD2 LEU 88 5.485 4.174 15.293 666 HD23 LEU 88 3HD2 LEU 88 6.359 5.703 15.216 667 H GLN 89 H GLN 89 0.235 4.915 14.489 668 HA GLN 89 HA GLN 89 -0.601 2.150 15.209 669 HB2 GLN 89 2HB GLN 89 -2.111 4.781 15.274 670 HB3 GLN 89 1HB GLN 89 -2.795 3.221 15.735 671 HG2 GLN 89 2HG GLN 89 -1.099 2.975 17.494 672 HG3 GLN 89 1HG GLN 89 -0.368 4.508 17.019 673 HE21 GLN 89 1HE2 GLN 89 -1.389 4.147 19.660 674 HE22 GLN 89 2HE2 GLN 89 -2.754 5.137 19.854 675 H1 PN7 101 3HO SAT 101 2.134 -9.318 -12.602 676 H2 PN7 101 1H1 SAT 101 4.356 -7.718 -10.204 677 H3 PN7 101 2H1 SAT 101 2.894 -8.460 -9.559 678 H5 PN7 101 1HE1 SAT 101 2.582 -6.664 -13.389 679 H6 PN7 101 2HE1 SAT 101 3.654 -8.023 -13.049 680 H7 PN7 101 3HE1 SAT 101 4.107 -6.394 -12.546 681 H8 PN7 101 2HE2 SAT 101 1.995 -5.226 -11.327 682 H9 PN7 101 3HE2 SAT 101 3.354 -5.599 -10.275 683 H10 PN7 101 1HE2 SAT 101 1.721 -6.063 -9.800 684 H11 PN7 101 3H SAT 101 0.913 -8.486 -10.688 685 H12 PN7 101 5H SAT 101 0.713 -5.295 -12.966 686 H13 PN7 101 1H6 SAT 101 -0.429 -7.759 -14.199 687 H14 PN7 101 2H6 SAT 101 -1.280 -6.225 -14.379 688 H15 PN7 101 1H7 SAT 101 1.265 -5.545 -15.157 689 H16 PN7 101 2H7 SAT 101 -0.032 -5.992 -16.265 690 H17 PN7 101 9H SAT 101 0.332 -7.849 -17.536 691 H18 PN7 101 1H10 SAT 101 1.421 -10.124 -15.989 692 H19 PN7 101 2H10 SAT 101 0.432 -10.245 -17.444 693 H20 PN7 101 1H11 SAT 101 2.264 -10.361 -18.753 694 H21 PN7 101 2H11 SAT 101 3.232 -10.474 -17.284 695 H22 PN7 101 2HS1 SAT 101 3.049 -8.033 -19.081 Start of MODEL 4 1 H1 MET 1 1HT MET 1 2.501 11.442 2.729 2 H2 MET 1 2HT MET 1 2.089 10.497 1.379 3 H3 MET 1 3HT MET 1 1.173 10.390 2.805 4 HA MET 1 HA MET 1 1.355 13.058 1.729 5 HB2 MET 1 2HB MET 1 -0.103 10.863 0.225 6 HB3 MET 1 1HB MET 1 -0.276 12.590 -0.084 7 HG2 MET 1 2HG MET 1 2.198 12.696 -0.511 8 HG3 MET 1 1HG MET 1 2.246 10.939 -0.377 9 HE1 MET 1 1HE MET 1 -0.550 13.357 -2.219 10 HE2 MET 1 2HE MET 1 0.501 13.594 -3.613 11 HE3 MET 1 3HE MET 1 1.080 14.008 -2.002 12 H GLN 2 H GLN 2 -1.613 12.549 1.049 13 HA GLN 2 HA GLN 2 -2.695 13.342 3.558 14 HB2 GLN 2 2HB GLN 2 -4.066 12.042 1.185 15 HB3 GLN 2 1HB GLN 2 -4.904 12.825 2.525 16 HG2 GLN 2 2HG GLN 2 -3.767 14.947 2.008 17 HG3 GLN 2 1HG GLN 2 -2.911 14.168 0.676 18 HE21 GLN 2 1HE2 GLN 2 -4.608 16.375 0.140 19 HE22 GLN 2 2HE2 GLN 2 -5.972 15.830 -0.710 20 H HIS 3 H HIS 3 -2.415 10.137 2.051 21 HA HIS 3 HA HIS 3 -2.978 8.948 4.719 22 HB2 HIS 3 2HB HIS 3 -4.233 7.897 2.170 23 HB3 HIS 3 1HB HIS 3 -4.544 7.353 3.818 24 HD1 HIS 3 1HD HIS 3 -5.736 9.153 5.431 25 HD2 HIS 3 2HD HIS 3 -5.799 10.062 1.360 26 HE1 HIS 3 1HE HIS 3 -7.491 10.955 5.124 27 HE2 HIS 3 2HE HIS 3 -7.538 11.514 2.651 28 H ALA 4 H ALA 4 -0.716 9.309 2.550 29 HA ALA 4 HA ALA 4 0.005 6.723 1.616 30 HB1 ALA 4 1HB ALA 4 1.026 9.074 1.085 31 HB2 ALA 4 2HB ALA 4 2.075 7.656 1.054 32 HB3 ALA 4 3HB ALA 4 2.081 8.727 2.455 33 H SER 5 H SER 5 0.534 8.283 4.748 34 HA SER 5 HA SER 5 2.469 6.448 5.749 35 HB2 SER 5 2HB SER 5 1.853 7.245 7.952 36 HB3 SER 5 1HB SER 5 1.799 8.613 6.844 37 HG SER 5 HG SER 5 -0.546 7.221 6.953 38 H VAL 6 H VAL 6 -1.066 6.281 5.623 39 HA VAL 6 HA VAL 6 -1.302 3.907 7.242 40 HB VAL 6 HB VAL 6 -3.091 5.024 5.071 41 HG11 VAL 6 1HG1 VAL 6 -4.804 3.531 6.330 42 HG12 VAL 6 2HG1 VAL 6 -3.385 2.670 6.928 43 HG13 VAL 6 3HG1 VAL 6 -3.703 2.751 5.194 44 HG21 VAL 6 1HG2 VAL 6 -3.576 6.523 6.691 45 HG22 VAL 6 2HG2 VAL 6 -2.649 5.622 7.891 46 HG23 VAL 6 3HG2 VAL 6 -4.328 5.189 7.567 47 H ILE 7 H ILE 7 -0.880 4.475 3.773 48 HA ILE 7 HA ILE 7 -1.150 1.762 2.934 49 HB ILE 7 HB ILE 7 0.560 3.980 1.767 50 HG12 ILE 7 2HG1 ILE 7 -2.231 3.045 1.022 51 HG13 ILE 7 1HG1 ILE 7 -1.894 4.468 2.010 52 HG21 ILE 7 1HG2 ILE 7 -0.393 1.322 0.662 53 HG22 ILE 7 2HG2 ILE 7 1.273 1.865 0.855 54 HG23 ILE 7 3HG2 ILE 7 0.233 2.623 -0.351 55 HD11 ILE 7 1HD1 ILE 7 -1.987 4.345 -0.802 56 HD12 ILE 7 2HD1 ILE 7 -0.281 4.515 -0.389 57 HD13 ILE 7 3HD1 ILE 7 -1.450 5.702 0.187 58 H ALA 8 H ALA 8 1.762 3.651 3.770 59 HA ALA 8 HA ALA 8 3.589 1.454 3.525 60 HB1 ALA 8 1HB ALA 8 4.127 3.584 5.537 61 HB2 ALA 8 2HB ALA 8 3.937 4.096 3.861 62 HB3 ALA 8 3HB ALA 8 5.186 2.927 4.290 63 H GLN 9 H GLN 9 1.960 2.873 6.352 64 HA GLN 9 HA GLN 9 2.981 1.018 8.271 65 HB2 GLN 9 2HB GLN 9 1.852 3.168 8.840 66 HB3 GLN 9 1HB GLN 9 0.324 2.481 8.292 67 HG2 GLN 9 2HG GLN 9 1.329 0.565 10.048 68 HG3 GLN 9 1HG GLN 9 1.713 2.100 10.824 69 HE21 GLN 9 1HE2 GLN 9 -1.034 0.393 9.241 70 HE22 GLN 9 2HE2 GLN 9 -2.234 1.125 10.197 71 H PHE 10 H PHE 10 -0.006 1.027 6.362 72 HA PHE 10 HA PHE 10 -1.015 -1.451 7.430 73 HB2 PHE 10 2HB PHE 10 -2.408 0.284 6.276 74 HB3 PHE 10 1HB PHE 10 -1.628 -0.156 4.758 75 HD1 PHE 10 1HD PHE 10 -2.180 -2.195 3.605 76 HD2 PHE 10 2HD PHE 10 -3.848 -1.349 7.470 77 HE1 PHE 10 1HE PHE 10 -3.793 -4.056 3.315 78 HE2 PHE 10 2HE PHE 10 -5.461 -3.211 7.183 79 HZ PHE 10 HZ PHE 10 -5.434 -4.563 5.105 80 H VAL 11 H VAL 11 0.661 -0.630 4.406 81 HA VAL 11 HA VAL 11 0.800 -3.327 3.431 82 HB VAL 11 HB VAL 11 2.551 -0.924 2.832 83 HG11 VAL 11 1HG1 VAL 11 3.825 -2.375 1.676 84 HG12 VAL 11 2HG1 VAL 11 2.432 -2.674 0.636 85 HG13 VAL 11 3HG1 VAL 11 2.723 -3.704 2.038 86 HG21 VAL 11 1HG2 VAL 11 0.415 -2.041 1.039 87 HG22 VAL 11 2HG2 VAL 11 1.044 -0.395 1.133 88 HG23 VAL 11 3HG2 VAL 11 -0.050 -0.994 2.380 89 H VAL 12 H VAL 12 3.138 -1.309 5.216 90 HA VAL 12 HA VAL 12 5.217 -3.272 5.296 91 HB VAL 12 HB VAL 12 4.598 -1.029 7.225 92 HG11 VAL 12 1HG1 VAL 12 6.136 -2.217 8.442 93 HG12 VAL 12 2HG1 VAL 12 7.258 -1.359 7.389 94 HG13 VAL 12 3HG1 VAL 12 6.797 -3.021 7.021 95 HG21 VAL 12 1HG2 VAL 12 5.713 0.381 5.807 96 HG22 VAL 12 2HG2 VAL 12 5.213 -0.793 4.589 97 HG23 VAL 12 3HG2 VAL 12 6.833 -0.876 5.282 98 H GLU 13 H GLU 13 2.461 -2.632 7.413 99 HA GLU 13 HA GLU 13 3.144 -4.297 9.580 100 HB2 GLU 13 2HB GLU 13 1.165 -2.791 9.517 101 HB3 GLU 13 1HB GLU 13 0.388 -3.912 8.408 102 HG2 GLU 13 2HG GLU 13 0.608 -5.710 10.116 103 HG3 GLU 13 1HG GLU 13 1.280 -4.522 11.229 104 H GLU 14 H GLU 14 1.936 -5.147 6.389 105 HA GLU 14 HA GLU 14 1.189 -7.848 7.009 106 HB2 GLU 14 2HB GLU 14 2.126 -6.600 4.410 107 HB3 GLU 14 1HB GLU 14 1.451 -8.222 4.544 108 HG2 GLU 14 2HG GLU 14 -0.624 -7.254 5.511 109 HG3 GLU 14 1HG GLU 14 0.050 -5.639 5.293 110 H PHE 15 H PHE 15 4.266 -6.305 6.319 111 HA PHE 15 HA PHE 15 5.633 -8.802 7.113 112 HB2 PHE 15 2HB PHE 15 7.079 -8.855 5.166 113 HB3 PHE 15 1HB PHE 15 5.407 -8.874 4.609 114 HD1 PHE 15 1HD PHE 15 4.337 -6.674 3.891 115 HD2 PHE 15 2HD PHE 15 8.560 -7.116 4.519 116 HE1 PHE 15 1HE PHE 15 4.747 -4.623 2.560 117 HE2 PHE 15 2HE PHE 15 8.973 -5.064 3.191 118 HZ PHE 15 HZ PHE 15 7.066 -3.817 2.210 119 H LEU 16 H LEU 16 5.465 -6.548 8.674 120 HA LEU 16 HA LEU 16 7.709 -4.785 8.145 121 HB2 LEU 16 2HB LEU 16 7.037 -3.563 10.025 122 HB3 LEU 16 1HB LEU 16 5.531 -4.189 9.390 123 HG LEU 16 HG LEU 16 7.102 -5.440 11.662 124 HD11 LEU 16 1HD1 LEU 16 5.198 -3.254 11.554 125 HD12 LEU 16 2HD1 LEU 16 6.137 -3.850 12.923 126 HD13 LEU 16 3HD1 LEU 16 4.583 -4.587 12.532 127 HD21 LEU 16 1HD2 LEU 16 4.605 -6.154 10.153 128 HD22 LEU 16 2HD2 LEU 16 4.674 -6.508 11.877 129 HD23 LEU 16 3HD2 LEU 16 5.859 -7.218 10.786 130 HA PRO 17 HA PRO 17 10.691 -7.403 10.174 131 HB2 PRO 17 2HB PRO 17 12.734 -5.602 10.409 132 HB3 PRO 17 1HB PRO 17 12.294 -6.351 8.865 133 HG2 PRO 17 2HG PRO 17 11.624 -3.647 9.910 134 HG3 PRO 17 1HG PRO 17 12.084 -4.142 8.275 135 HD2 PRO 17 2HD PRO 17 9.496 -3.657 9.028 136 HD3 PRO 17 1HD PRO 17 9.944 -4.779 7.726 137 H ASP 18 H ASP 18 12.582 -6.218 12.054 138 HA ASP 18 HA ASP 18 10.846 -6.088 14.402 139 HB2 ASP 18 2HB ASP 18 13.842 -5.881 14.058 140 HB3 ASP 18 1HB ASP 18 13.031 -5.863 15.618 141 H VAL 19 H VAL 19 11.233 -3.907 12.164 142 HA VAL 19 HA VAL 19 11.727 -1.612 14.022 143 HB VAL 19 HB VAL 19 11.862 -1.661 10.996 144 HG11 VAL 19 1HG1 VAL 19 13.260 0.472 11.594 145 HG12 VAL 19 2HG1 VAL 19 12.396 0.394 13.129 146 HG13 VAL 19 3HG1 VAL 19 11.499 0.568 11.620 147 HG21 VAL 19 1HG2 VAL 19 13.876 -2.649 11.251 148 HG22 VAL 19 2HG2 VAL 19 13.735 -2.581 13.008 149 HG23 VAL 19 3HG2 VAL 19 14.411 -1.212 12.124 150 H ALA 20 H ALA 20 10.097 -0.106 14.275 151 HA ALA 20 HA ALA 20 7.449 -0.771 13.300 152 HB1 ALA 20 1HB ALA 20 6.785 0.598 14.966 153 HB2 ALA 20 2HB ALA 20 7.715 1.944 14.309 154 HB3 ALA 20 3HB ALA 20 8.489 0.777 15.381 155 HA PRO 21 HA PRO 21 7.599 1.278 9.316 156 HB2 PRO 21 2HB PRO 21 4.931 2.389 10.052 157 HB3 PRO 21 1HB PRO 21 5.420 1.498 8.599 158 HG2 PRO 21 2HG PRO 21 3.976 0.379 10.568 159 HG3 PRO 21 1HG PRO 21 5.126 -0.532 9.580 160 HD2 PRO 21 2HD PRO 21 5.342 0.279 12.417 161 HD3 PRO 21 1HD PRO 21 6.160 -1.036 11.541 162 H ALA 22 H ALA 22 6.612 3.043 12.206 163 HA ALA 22 HA ALA 22 6.883 5.693 11.125 164 HB1 ALA 22 1HB ALA 22 6.131 6.253 13.174 165 HB2 ALA 22 2HB ALA 22 7.563 5.558 13.936 166 HB3 ALA 22 3HB ALA 22 6.163 4.540 13.596 167 H ASP 23 H ASP 23 9.165 3.325 12.219 168 HA ASP 23 HA ASP 23 11.340 5.337 12.366 169 HB2 ASP 23 2HB ASP 23 11.263 2.374 12.999 170 HB3 ASP 23 1HB ASP 23 12.717 3.366 13.112 171 H VAL 24 H VAL 24 9.806 3.715 10.007 172 HA VAL 24 HA VAL 24 12.288 3.119 8.462 173 HB VAL 24 HB VAL 24 9.414 2.356 7.848 174 HG11 VAL 24 1HG1 VAL 24 12.050 1.425 6.666 175 HG12 VAL 24 2HG1 VAL 24 10.911 2.519 5.879 176 HG13 VAL 24 3HG1 VAL 24 10.448 0.848 6.203 177 HG21 VAL 24 1HG2 VAL 24 10.535 0.017 8.407 178 HG22 VAL 24 2HG2 VAL 24 9.882 1.027 9.697 179 HG23 VAL 24 3HG2 VAL 24 11.617 1.014 9.379 180 H ASP 25 H ASP 25 12.736 4.350 6.644 181 HA ASP 25 HA ASP 25 11.338 6.861 6.345 182 HB2 ASP 25 2HB ASP 25 13.771 6.510 5.824 183 HB3 ASP 25 1HB ASP 25 13.285 5.570 4.413 184 H VAL 26 H VAL 26 9.180 6.494 5.776 185 HA VAL 26 HA VAL 26 8.292 4.619 3.810 186 HB VAL 26 HB VAL 26 6.201 5.854 3.822 187 HG11 VAL 26 1HG1 VAL 26 6.705 6.436 6.596 188 HG12 VAL 26 2HG1 VAL 26 7.555 4.956 6.148 189 HG13 VAL 26 3HG1 VAL 26 5.814 5.082 5.899 190 HG21 VAL 26 1HG2 VAL 26 6.431 8.112 3.715 191 HG22 VAL 26 2HG2 VAL 26 8.018 8.071 4.485 192 HG23 VAL 26 3HG2 VAL 26 6.557 8.042 5.472 193 H ASP 27 H ASP 27 10.414 7.011 3.273 194 HA ASP 27 HA ASP 27 9.257 7.951 0.710 195 HB2 ASP 27 2HB ASP 27 11.833 8.654 2.153 196 HB3 ASP 27 1HB ASP 27 11.332 9.354 0.612 197 H LEU 28 H LEU 28 10.646 5.214 1.653 198 HA LEU 28 HA LEU 28 12.636 4.975 -0.524 199 HB2 LEU 28 2HB LEU 28 13.096 4.019 1.737 200 HB3 LEU 28 1HB LEU 28 11.743 2.916 1.513 201 HG LEU 28 HG LEU 28 13.698 2.964 -0.709 202 HD11 LEU 28 1HD1 LEU 28 14.424 2.172 2.103 203 HD12 LEU 28 2HD1 LEU 28 15.390 3.046 0.913 204 HD13 LEU 28 3HD1 LEU 28 15.125 1.311 0.733 205 HD21 LEU 28 1HD2 LEU 28 13.103 0.710 -0.877 206 HD22 LEU 28 2HD2 LEU 28 11.636 1.397 -0.186 207 HD23 LEU 28 3HD2 LEU 28 12.790 0.560 0.851 208 H ASP 29 H ASP 29 12.233 3.886 -2.409 209 HA ASP 29 HA ASP 29 9.544 3.311 -3.172 210 HB2 ASP 29 2HB ASP 29 12.183 2.384 -4.350 211 HB3 ASP 29 1HB ASP 29 10.618 2.135 -5.124 212 H LEU 30 H LEU 30 8.324 1.603 -2.529 213 HA LEU 30 HA LEU 30 9.464 -0.549 -0.985 214 HB2 LEU 30 2HB LEU 30 7.213 -1.446 -0.905 215 HB3 LEU 30 1HB LEU 30 7.110 0.306 -0.735 216 HG LEU 30 HG LEU 30 7.030 -0.137 -3.501 217 HD11 LEU 30 1HD1 LEU 30 5.095 -1.726 -3.686 218 HD12 LEU 30 2HD1 LEU 30 5.334 -2.151 -1.993 219 HD13 LEU 30 3HD1 LEU 30 6.591 -2.507 -3.178 220 HD21 LEU 30 1HD2 LEU 30 4.824 0.352 -1.477 221 HD22 LEU 30 2HD2 LEU 30 4.640 0.568 -3.218 222 HD23 LEU 30 3HD2 LEU 30 5.771 1.578 -2.317 223 H VAL 31 H VAL 31 9.967 -0.017 -4.095 224 HA VAL 31 HA VAL 31 9.160 -2.269 -5.561 225 HB VAL 31 HB VAL 31 10.509 -0.228 -6.357 226 HG11 VAL 31 1HG1 VAL 31 12.891 -0.349 -6.257 227 HG12 VAL 31 2HG1 VAL 31 12.852 -2.010 -5.663 228 HG13 VAL 31 3HG1 VAL 31 12.330 -0.687 -4.619 229 HG21 VAL 31 1HG2 VAL 31 10.016 -1.868 -7.986 230 HG22 VAL 31 2HG2 VAL 31 11.034 -3.076 -7.202 231 HG23 VAL 31 3HG2 VAL 31 11.773 -1.724 -8.059 232 H ASP 32 H ASP 32 11.844 -1.947 -3.272 233 HA ASP 32 HA ASP 32 13.088 -4.458 -3.742 234 HB2 ASP 32 2HB ASP 32 12.750 -2.899 -1.158 235 HB3 ASP 32 1HB ASP 32 13.811 -4.297 -1.336 236 H ASN 33 H ASN 33 10.256 -3.546 -1.870 237 HA ASN 33 HA ASN 33 9.801 -6.293 -0.933 238 HB2 ASN 33 2HB ASN 33 8.044 -3.843 -0.711 239 HB3 ASN 33 1HB ASN 33 7.839 -5.353 0.173 240 HD21 ASN 33 1HD2 ASN 33 8.859 -2.326 0.716 241 HD22 ASN 33 2HD2 ASN 33 10.105 -2.601 1.834 242 H GLY 34 H GLY 34 9.683 -5.176 -3.853 243 HA2 GLY 34 2HA GLY 34 7.172 -5.187 -4.975 244 HA3 GLY 34 1HA GLY 34 8.543 -5.970 -5.760 245 H VAL 35 H VAL 35 8.567 -7.748 -3.167 246 HA VAL 35 HA VAL 35 7.352 -10.038 -4.284 247 HB VAL 35 HB VAL 35 8.888 -9.840 -2.205 248 HG11 VAL 35 1HG1 VAL 35 7.129 -8.298 -1.118 249 HG12 VAL 35 2HG1 VAL 35 7.849 -9.547 -0.102 250 HG13 VAL 35 3HG1 VAL 35 6.236 -9.779 -0.778 251 HG21 VAL 35 1HG2 VAL 35 6.513 -11.692 -2.457 252 HG22 VAL 35 2HG2 VAL 35 7.707 -11.898 -1.176 253 HG23 VAL 35 3HG2 VAL 35 8.198 -12.016 -2.866 254 H ILE 36 H ILE 36 6.002 -7.454 -2.337 255 HA ILE 36 HA ILE 36 3.425 -8.676 -1.874 256 HB ILE 36 HB ILE 36 4.550 -6.651 -0.688 257 HG12 ILE 36 2HG1 ILE 36 1.641 -6.725 -1.523 258 HG13 ILE 36 1HG1 ILE 36 2.355 -7.355 -0.040 259 HG21 ILE 36 1HG2 ILE 36 4.754 -5.489 -2.996 260 HG22 ILE 36 2HG2 ILE 36 4.215 -4.511 -1.630 261 HG23 ILE 36 3HG2 ILE 36 3.041 -5.116 -2.799 262 HD11 ILE 36 1HD1 ILE 36 1.602 -4.587 -0.731 263 HD12 ILE 36 2HD1 ILE 36 3.165 -4.758 0.070 264 HD13 ILE 36 3HD1 ILE 36 1.704 -5.366 0.849 265 H ASP 37 H ASP 37 4.843 -6.924 -4.516 266 HA ASP 37 HA ASP 37 2.546 -5.876 -5.770 267 HB2 ASP 37 2HB ASP 37 5.076 -6.960 -7.029 268 HB3 ASP 37 1HB ASP 37 3.865 -6.006 -7.882 269 H SER 38 H SER 38 3.799 -9.202 -5.874 270 HA SER 38 HA SER 38 1.595 -9.875 -7.761 271 HB2 SER 38 2HB SER 38 4.311 -10.824 -7.414 272 HB3 SER 38 1HB SER 38 3.164 -12.156 -7.354 273 H LEU 39 H LEU 39 3.172 -11.575 -5.035 274 HA LEU 39 HA LEU 39 0.830 -13.144 -4.517 275 HB2 LEU 39 2HB LEU 39 3.172 -13.805 -3.912 276 HB3 LEU 39 1HB LEU 39 3.120 -12.598 -2.633 277 HG LEU 39 HG LEU 39 0.828 -14.466 -2.680 278 HD11 LEU 39 1HD1 LEU 39 2.372 -16.124 -1.372 279 HD12 LEU 39 2HD1 LEU 39 3.674 -15.358 -2.282 280 HD13 LEU 39 3HD1 LEU 39 2.365 -16.177 -3.135 281 HD21 LEU 39 1HD2 LEU 39 1.115 -12.815 -0.894 282 HD22 LEU 39 2HD2 LEU 39 2.728 -13.437 -0.547 283 HD23 LEU 39 3HD2 LEU 39 1.310 -14.436 -0.228 284 H GLY 40 H GLY 40 2.226 -10.344 -2.819 285 HA2 GLY 40 2HA GLY 40 0.124 -10.235 -0.849 286 HA3 GLY 40 1HA GLY 40 1.269 -8.948 -1.194 287 H LEU 41 H LEU 41 0.643 -8.580 -3.945 288 HA LEU 41 HA LEU 41 -1.517 -6.750 -3.766 289 HB2 LEU 41 2HB LEU 41 0.253 -6.753 -5.548 290 HB3 LEU 41 1HB LEU 41 -0.539 -8.151 -6.273 291 HG LEU 41 HG LEU 41 -2.297 -5.828 -5.696 292 HD11 LEU 41 1HD1 LEU 41 -0.213 -5.788 -7.902 293 HD12 LEU 41 2HD1 LEU 41 -0.285 -4.687 -6.525 294 HD13 LEU 41 3HD1 LEU 41 -1.553 -4.651 -7.751 295 HD21 LEU 41 1HD2 LEU 41 -2.699 -8.126 -6.985 296 HD22 LEU 41 2HD2 LEU 41 -2.022 -7.221 -8.336 297 HD23 LEU 41 3HD2 LEU 41 -3.476 -6.640 -7.526 298 H LEU 42 H LEU 42 -1.414 -10.130 -4.825 299 HA LEU 42 HA LEU 42 -4.127 -10.274 -5.725 300 HB2 LEU 42 2HB LEU 42 -2.373 -12.034 -6.128 301 HB3 LEU 42 1HB LEU 42 -2.505 -12.486 -4.435 302 HG LEU 42 HG LEU 42 -5.056 -12.708 -4.938 303 HD11 LEU 42 1HD1 LEU 42 -4.235 -11.805 -7.402 304 HD12 LEU 42 2HD1 LEU 42 -5.738 -12.675 -7.099 305 HD13 LEU 42 3HD1 LEU 42 -4.309 -13.547 -7.653 306 HD21 LEU 42 1HD2 LEU 42 -4.415 -15.038 -6.096 307 HD22 LEU 42 2HD2 LEU 42 -4.080 -14.728 -4.392 308 HD23 LEU 42 3HD2 LEU 42 -2.797 -14.550 -5.589 309 H LYS 43 H LYS 43 -2.639 -10.874 -2.545 310 HA LYS 43 HA LYS 43 -5.118 -11.543 -1.235 311 HB2 LYS 43 2HB LYS 43 -2.487 -10.539 -0.140 312 HB3 LYS 43 1HB LYS 43 -3.810 -11.146 0.849 313 HG2 LYS 43 2HG LYS 43 -3.700 -13.305 -0.399 314 HG3 LYS 43 1HG LYS 43 -2.293 -12.693 -1.269 315 HD2 LYS 43 2HD LYS 43 -1.136 -12.361 0.921 316 HD3 LYS 43 1HD LYS 43 -2.518 -13.107 1.726 317 HE2 LYS 43 2HE LYS 43 -2.145 -15.201 0.621 318 HE3 LYS 43 1HE LYS 43 -0.970 -14.483 -0.480 319 HZ1 LYS 43 1HZ LYS 43 0.223 -15.621 1.204 320 HZ2 LYS 43 2HZ LYS 43 -0.682 -14.890 2.443 321 HZ3 LYS 43 3HZ LYS 43 0.397 -13.962 1.515 322 H VAL 44 H VAL 44 -3.275 -8.533 -1.613 323 HA VAL 44 HA VAL 44 -4.897 -6.930 0.115 324 HB VAL 44 HB VAL 44 -3.199 -6.194 -2.280 325 HG11 VAL 44 1HG1 VAL 44 -4.605 -4.479 -0.220 326 HG12 VAL 44 2HG1 VAL 44 -4.797 -4.421 -1.971 327 HG13 VAL 44 3HG1 VAL 44 -3.287 -3.888 -1.230 328 HG21 VAL 44 1HG2 VAL 44 -2.455 -7.158 0.182 329 HG22 VAL 44 2HG2 VAL 44 -2.431 -5.417 0.461 330 HG23 VAL 44 3HG2 VAL 44 -1.448 -6.116 -0.826 331 H ILE 45 H ILE 45 -5.044 -7.456 -3.409 332 HA ILE 45 HA ILE 45 -7.240 -5.709 -3.893 333 HB ILE 45 HB ILE 45 -5.915 -7.956 -5.313 334 HG12 ILE 45 2HG1 ILE 45 -5.760 -6.319 -7.073 335 HG13 ILE 45 1HG1 ILE 45 -6.978 -5.300 -6.308 336 HG21 ILE 45 1HG2 ILE 45 -8.139 -8.735 -5.637 337 HG22 ILE 45 2HG2 ILE 45 -7.753 -7.813 -7.088 338 HG23 ILE 45 3HG2 ILE 45 -8.764 -7.098 -5.834 339 HD11 ILE 45 1HD1 ILE 45 -5.509 -4.485 -4.737 340 HD12 ILE 45 2HD1 ILE 45 -4.350 -4.841 -6.015 341 HD13 ILE 45 3HD1 ILE 45 -4.572 -5.977 -4.687 342 H ALA 46 H ALA 46 -7.156 -9.203 -3.187 343 HA ALA 46 HA ALA 46 -9.986 -9.599 -3.316 344 HB1 ALA 46 1HB ALA 46 -7.696 -11.062 -2.035 345 HB2 ALA 46 2HB ALA 46 -8.750 -11.584 -3.350 346 HB3 ALA 46 3HB ALA 46 -9.353 -11.562 -1.692 347 H TRP 47 H TRP 47 -7.828 -8.758 -0.615 348 HA TRP 47 HA TRP 47 -9.973 -8.775 1.344 349 HB2 TRP 47 2HB TRP 47 -7.953 -9.078 2.410 350 HB3 TRP 47 1HB TRP 47 -7.088 -8.017 1.299 351 HD1 TRP 47 HD TRP 47 -9.313 -7.936 4.408 352 HE1 TRP 47 1HE TRP 47 -9.082 -5.621 5.522 353 HE3 TRP 47 3HE TRP 47 -6.514 -5.537 0.882 354 HZ2 TRP 47 2HZ TRP 47 -7.864 -3.086 4.982 355 HZ3 TRP 47 3HZ TRP 47 -5.829 -3.180 1.203 356 HH2 TRP 47 HH TRP 47 -6.499 -1.955 3.244 357 H LEU 48 H LEU 48 -8.307 -6.256 -0.533 358 HA LEU 48 HA LEU 48 -9.491 -4.002 0.693 359 HB2 LEU 48 2HB LEU 48 -7.640 -3.967 -1.012 360 HB3 LEU 48 1HB LEU 48 -8.837 -4.315 -2.248 361 HG LEU 48 HG LEU 48 -10.079 -2.240 -1.268 362 HD11 LEU 48 1HD1 LEU 48 -7.409 -1.144 -0.688 363 HD12 LEU 48 2HD1 LEU 48 -7.992 -2.313 0.494 364 HD13 LEU 48 3HD1 LEU 48 -8.940 -0.869 0.141 365 HD21 LEU 48 1HD2 LEU 48 -7.810 -2.482 -3.154 366 HD22 LEU 48 2HD2 LEU 48 -8.179 -0.839 -2.630 367 HD23 LEU 48 3HD2 LEU 48 -9.421 -1.815 -3.416 368 H GLU 49 H GLU 49 -10.670 -6.000 -2.016 369 HA GLU 49 HA GLU 49 -13.038 -4.458 -2.485 370 HB2 GLU 49 2HB GLU 49 -12.379 -5.987 -4.190 371 HB3 GLU 49 1HB GLU 49 -12.303 -7.332 -3.067 372 HG2 GLU 49 2HG GLU 49 -14.735 -7.262 -2.786 373 HG3 GLU 49 1HG GLU 49 -14.833 -5.872 -3.855 374 H ASP 50 H ASP 50 -12.356 -7.202 -0.348 375 HA ASP 50 HA ASP 50 -15.062 -7.567 0.530 376 HB2 ASP 50 2HB ASP 50 -13.188 -9.214 0.811 377 HB3 ASP 50 1HB ASP 50 -12.540 -8.166 2.070 378 H ARG 51 H ARG 51 -12.349 -5.732 1.929 379 HA ARG 51 HA ARG 51 -13.836 -4.854 4.227 380 HB2 ARG 51 2HB ARG 51 -11.358 -4.913 4.126 381 HB3 ARG 51 1HB ARG 51 -11.395 -3.575 2.975 382 HG2 ARG 51 2HG ARG 51 -12.540 -2.162 4.632 383 HG3 ARG 51 1HG ARG 51 -12.536 -3.496 5.784 384 HD2 ARG 51 2HD ARG 51 -10.050 -3.530 5.693 385 HD3 ARG 51 1HD ARG 51 -10.091 -2.133 4.617 386 HE ARG 51 HE ARG 51 -11.495 -1.167 6.708 387 HH11 ARG 51 1HH1 ARG 51 -10.656 -0.325 8.625 388 HH12 ARG 51 2HH1 ARG 51 -9.119 -0.877 9.201 389 HH21 ARG 51 1HH2 ARG 51 -8.617 -3.070 6.567 390 HH22 ARG 51 2HH2 ARG 51 -7.967 -2.428 8.037 391 H PHE 52 H PHE 52 -13.096 -3.168 1.132 392 HA PHE 52 HA PHE 52 -14.919 -0.995 2.026 393 HB2 PHE 52 2HB PHE 52 -12.930 -1.134 -0.251 394 HB3 PHE 52 1HB PHE 52 -13.930 0.263 0.128 395 HD1 PHE 52 1HD PHE 52 -13.637 1.479 2.283 396 HD2 PHE 52 2HD PHE 52 -11.009 -1.700 1.085 397 HE1 PHE 52 1HE PHE 52 -11.984 2.205 3.983 398 HE2 PHE 52 2HE PHE 52 -9.355 -0.974 2.784 399 HZ PHE 52 HZ PHE 52 -9.843 0.978 4.234 400 H GLY 53 H GLY 53 -15.085 -3.783 0.132 401 HA2 GLY 53 2HA GLY 53 -16.808 -4.508 -1.317 402 HA3 GLY 53 1HA GLY 53 -17.678 -3.031 -0.903 403 H ILE 54 H ILE 54 -14.414 -2.890 -2.142 404 HA ILE 54 HA ILE 54 -15.459 -1.476 -4.540 405 HB ILE 54 HB ILE 54 -12.628 -1.679 -3.466 406 HG12 ILE 54 2HG1 ILE 54 -14.567 0.644 -3.290 407 HG13 ILE 54 1HG1 ILE 54 -14.329 -0.514 -1.982 408 HG21 ILE 54 1HG2 ILE 54 -13.932 -0.184 -5.732 409 HG22 ILE 54 2HG2 ILE 54 -12.426 -1.102 -5.733 410 HG23 ILE 54 3HG2 ILE 54 -12.498 0.473 -4.943 411 HD11 ILE 54 1HD1 ILE 54 -12.909 1.466 -1.643 412 HD12 ILE 54 2HD1 ILE 54 -12.173 1.215 -3.225 413 HD13 ILE 54 3HD1 ILE 54 -11.919 0.037 -1.938 414 H ALA 55 H ALA 55 -14.951 -2.179 -6.637 415 HA ALA 55 HA ALA 55 -14.598 -4.970 -7.049 416 HB1 ALA 55 1HB ALA 55 -15.536 -4.014 -8.919 417 HB2 ALA 55 2HB ALA 55 -13.851 -4.001 -9.443 418 HB3 ALA 55 3HB ALA 55 -14.578 -2.539 -8.773 419 H ALA 56 H ALA 56 -12.774 -6.152 -7.784 420 HA ALA 56 HA ALA 56 -10.305 -5.572 -6.553 421 HB1 ALA 56 1HB ALA 56 -10.472 -7.800 -7.176 422 HB2 ALA 56 2HB ALA 56 -9.452 -7.194 -8.481 423 HB3 ALA 56 3HB ALA 56 -11.181 -7.415 -8.743 424 H ASP 57 H ASP 57 -11.538 -4.656 -9.720 425 HA ASP 57 HA ASP 57 -10.646 -3.248 -11.369 426 HB2 ASP 57 2HB ASP 57 -9.203 -2.173 -8.938 427 HB3 ASP 57 1HB ASP 57 -9.244 -1.371 -10.506 428 H ASP 58 H ASP 58 -9.415 -5.758 -11.230 429 HA ASP 58 HA ASP 58 -6.499 -5.257 -11.363 430 HB2 ASP 58 2HB ASP 58 -6.294 -7.687 -11.566 431 HB3 ASP 58 1HB ASP 58 -7.350 -7.295 -10.209 432 H VAL 59 H VAL 59 -8.847 -4.567 -13.391 433 HA VAL 59 HA VAL 59 -8.321 -5.968 -15.802 434 HB VAL 59 HB VAL 59 -9.267 -3.139 -15.336 435 HG11 VAL 59 1HG1 VAL 59 -9.101 -4.789 -17.870 436 HG12 VAL 59 2HG1 VAL 59 -8.363 -3.216 -17.567 437 HG13 VAL 59 3HG1 VAL 59 -10.115 -3.354 -17.714 438 HG21 VAL 59 1HG2 VAL 59 -11.104 -5.125 -16.455 439 HG22 VAL 59 2HG2 VAL 59 -11.328 -4.044 -15.080 440 HG23 VAL 59 3HG2 VAL 59 -10.497 -5.584 -14.864 441 H GLU 60 H GLU 60 -6.797 -3.055 -14.449 442 HA GLU 60 HA GLU 60 -4.716 -3.279 -16.593 443 HB2 GLU 60 2HB GLU 60 -5.533 -0.834 -15.003 444 HB3 GLU 60 1HB GLU 60 -4.330 -0.881 -16.290 445 HG2 GLU 60 2HG GLU 60 -6.097 -1.720 -17.830 446 HG3 GLU 60 1HG GLU 60 -7.274 -1.479 -16.547 447 H LEU 61 H LEU 61 -2.686 -3.726 -15.917 448 HA LEU 61 HA LEU 61 -2.082 -3.420 -13.008 449 HB2 LEU 61 2HB LEU 61 -0.728 -5.466 -14.741 450 HB3 LEU 61 1HB LEU 61 -0.992 -5.491 -13.001 451 HG LEU 61 HG LEU 61 -3.129 -5.825 -15.116 452 HD11 LEU 61 1HD1 LEU 61 -1.807 -7.766 -13.209 453 HD12 LEU 61 2HD1 LEU 61 -1.766 -7.808 -14.972 454 HD13 LEU 61 3HD1 LEU 61 -3.275 -8.130 -14.118 455 HD21 LEU 61 1HD2 LEU 61 -3.252 -5.184 -12.267 456 HD22 LEU 61 2HD2 LEU 61 -4.110 -6.673 -12.649 457 HD23 LEU 61 3HD2 LEU 61 -4.542 -5.175 -13.471 458 H SER 62 H SER 62 -0.071 -2.488 -12.511 459 HA SER 62 HA SER 62 1.913 -2.072 -14.629 460 HB2 SER 62 2HB SER 62 -0.087 -0.130 -14.240 461 HB3 SER 62 1HB SER 62 1.361 0.518 -13.474 462 HG SER 62 HG SER 62 2.461 -0.060 -15.467 463 HA PRO 63 HA PRO 63 3.960 -2.648 -10.557 464 HB2 PRO 63 2HB PRO 63 6.386 -2.446 -12.242 465 HB3 PRO 63 1HB PRO 63 5.916 -3.710 -11.097 466 HG2 PRO 63 2HG PRO 63 5.842 -4.047 -13.767 467 HG3 PRO 63 1HG PRO 63 4.742 -4.872 -12.654 468 HD2 PRO 63 2HD PRO 63 4.187 -2.625 -14.514 469 HD3 PRO 63 1HD PRO 63 3.088 -3.863 -13.875 470 H GLU 64 H GLU 64 4.391 -0.210 -12.990 471 HA GLU 64 HA GLU 64 6.235 1.502 -11.658 472 HB2 GLU 64 2HB GLU 64 3.988 2.163 -13.560 473 HB3 GLU 64 1HB GLU 64 5.250 3.289 -13.085 474 HG2 GLU 64 2HG GLU 64 6.947 1.716 -13.965 475 HG3 GLU 64 1HG GLU 64 5.652 0.654 -14.505 476 H HIS 65 H HIS 65 2.786 1.002 -11.294 477 HA HIS 65 HA HIS 65 2.251 3.378 -9.756 478 HB2 HIS 65 2HB HIS 65 0.478 2.086 -10.877 479 HB3 HIS 65 1HB HIS 65 0.784 0.728 -9.795 480 HD1 HIS 65 1HD HIS 65 -0.180 0.845 -7.437 481 HD2 HIS 65 2HD HIS 65 -0.679 4.402 -9.560 482 HE1 HIS 65 1HE HIS 65 -1.730 2.297 -6.052 483 HE2 HIS 65 2HE HIS 65 -2.039 4.463 -7.335 484 H PHE 66 H PHE 66 3.555 0.238 -8.889 485 HA PHE 66 HA PHE 66 3.159 0.833 -6.009 486 HB2 PHE 66 2HB PHE 66 4.208 -1.628 -7.428 487 HB3 PHE 66 1HB PHE 66 4.014 -1.486 -5.681 488 HD1 PHE 66 1HD PHE 66 1.752 -1.202 -4.683 489 HD2 PHE 66 2HD PHE 66 2.308 -1.918 -8.882 490 HE1 PHE 66 1HE PHE 66 -0.645 -1.801 -4.898 491 HE2 PHE 66 2HE PHE 66 -0.089 -2.517 -9.097 492 HZ PHE 66 HZ PHE 66 -1.566 -2.457 -7.105 493 H ARG 67 H ARG 67 5.420 1.765 -8.176 494 HA ARG 67 HA ARG 67 7.899 0.978 -7.019 495 HB2 ARG 67 2HB ARG 67 7.150 3.532 -8.466 496 HB3 ARG 67 1HB ARG 67 8.802 3.068 -8.067 497 HG2 ARG 67 2HG ARG 67 7.022 1.182 -9.573 498 HG3 ARG 67 1HG ARG 67 7.878 2.465 -10.425 499 HD2 ARG 67 2HD ARG 67 10.010 1.615 -9.348 500 HD3 ARG 67 1HD ARG 67 9.085 0.228 -8.775 501 HE ARG 67 HE ARG 67 8.537 0.160 -11.434 502 HH11 ARG 67 1HH1 ARG 67 9.849 -0.778 -13.017 503 HH12 ARG 67 2HH1 ARG 67 11.558 -0.886 -12.753 504 HH21 ARG 67 1HH2 ARG 67 11.441 0.622 -9.634 505 HH22 ARG 67 2HH2 ARG 67 12.459 -0.094 -10.838 506 H SER 68 H SER 68 5.702 3.642 -6.172 507 HA SER 68 HA SER 68 7.321 4.000 -3.682 508 HB2 SER 68 2HB SER 68 7.759 5.859 -5.278 509 HB3 SER 68 1HB SER 68 6.037 6.223 -5.293 510 HG SER 68 HG SER 68 7.026 5.992 -2.771 511 H ILE 69 H ILE 69 6.125 4.285 -1.810 512 HA ILE 69 HA ILE 69 3.428 3.372 -1.749 513 HB ILE 69 HB ILE 69 4.957 4.995 0.306 514 HG12 ILE 69 2HG1 ILE 69 4.607 2.004 0.085 515 HG13 ILE 69 1HG1 ILE 69 6.045 2.862 -0.448 516 HG21 ILE 69 1HG2 ILE 69 3.126 3.100 1.386 517 HG22 ILE 69 2HG2 ILE 69 2.265 4.092 0.211 518 HG23 ILE 69 3HG2 ILE 69 3.108 4.853 1.560 519 HD11 ILE 69 1HD1 ILE 69 5.371 2.009 2.201 520 HD12 ILE 69 2HD1 ILE 69 5.451 3.770 2.178 521 HD13 ILE 69 3HD1 ILE 69 6.839 2.818 1.653 522 H ARG 70 H ARG 70 4.833 6.632 -1.757 523 HA ARG 70 HA ARG 70 2.445 8.076 -1.196 524 HB2 ARG 70 2HB ARG 70 4.850 8.865 -2.864 525 HB3 ARG 70 1HB ARG 70 3.601 9.984 -2.316 526 HG2 ARG 70 2HG ARG 70 4.102 9.317 0.041 527 HG3 ARG 70 1HG ARG 70 5.430 8.324 -0.558 528 HD2 ARG 70 2HD ARG 70 5.146 11.324 -0.898 529 HD3 ARG 70 1HD ARG 70 6.293 10.498 0.157 530 HE ARG 70 HE ARG 70 6.633 9.565 -2.531 531 HH11 ARG 70 1HH1 ARG 70 8.405 10.345 -3.700 532 HH12 ARG 70 2HH1 ARG 70 9.192 11.799 -3.186 533 HH21 ARG 70 1HH2 ARG 70 7.089 12.292 -0.473 534 HH22 ARG 70 2HH2 ARG 70 8.447 12.902 -1.359 535 H SER 71 H SER 71 3.741 6.829 -4.259 536 HA SER 71 HA SER 71 1.964 8.161 -6.018 537 HB2 SER 71 2HB SER 71 3.039 5.342 -6.304 538 HB3 SER 71 1HB SER 71 2.471 6.386 -7.601 539 HG SER 71 HG SER 71 4.876 6.223 -6.917 540 H ILE 72 H ILE 72 1.569 5.141 -4.183 541 HA ILE 72 HA ILE 72 -0.958 4.414 -5.298 542 HB ILE 72 HB ILE 72 0.148 3.836 -2.531 543 HG12 ILE 72 2HG1 ILE 72 0.360 2.217 -5.090 544 HG13 ILE 72 1HG1 ILE 72 1.667 3.195 -4.421 545 HG21 ILE 72 1HG2 ILE 72 -1.453 1.773 -3.768 546 HG22 ILE 72 2HG2 ILE 72 -2.358 3.283 -3.687 547 HG23 ILE 72 3HG2 ILE 72 -1.687 2.577 -2.218 548 HD11 ILE 72 1HD1 ILE 72 0.391 0.722 -3.253 549 HD12 ILE 72 2HD1 ILE 72 1.309 1.844 -2.248 550 HD13 ILE 72 3HD1 ILE 72 2.096 1.019 -3.594 551 H ASP 73 H ASP 73 -0.032 6.446 -2.541 552 HA ASP 73 HA ASP 73 -2.599 6.840 -1.416 553 HB2 ASP 73 2HB ASP 73 -0.395 7.620 -0.451 554 HB3 ASP 73 1HB ASP 73 -0.428 8.942 -1.616 555 H ALA 74 H ALA 74 -1.012 8.502 -4.133 556 HA ALA 74 HA ALA 74 -3.028 10.506 -4.468 557 HB1 ALA 74 1HB ALA 74 -2.067 10.046 -7.018 558 HB2 ALA 74 2HB ALA 74 -0.743 9.481 -5.999 559 HB3 ALA 74 3HB ALA 74 -1.335 11.135 -5.841 560 H PHE 75 H PHE 75 -2.639 7.278 -5.916 561 HA PHE 75 HA PHE 75 -4.981 7.430 -7.564 562 HB2 PHE 75 2HB PHE 75 -3.177 5.721 -7.824 563 HB3 PHE 75 1HB PHE 75 -3.737 4.963 -6.336 564 HD1 PHE 75 1HD PHE 75 -5.754 3.649 -6.271 565 HD2 PHE 75 2HD PHE 75 -4.652 5.787 -9.830 566 HE1 PHE 75 1HE PHE 75 -7.491 2.420 -7.546 567 HE2 PHE 75 2HE PHE 75 -6.388 4.558 -11.105 568 HZ PHE 75 HZ PHE 75 -7.807 2.876 -9.964 569 H VAL 76 H VAL 76 -4.452 6.107 -4.295 570 HA VAL 76 HA VAL 76 -7.138 5.247 -3.880 571 HB VAL 76 HB VAL 76 -4.948 6.077 -1.962 572 HG11 VAL 76 1HG1 VAL 76 -7.706 4.952 -1.469 573 HG12 VAL 76 2HG1 VAL 76 -6.980 6.394 -0.762 574 HG13 VAL 76 3HG1 VAL 76 -6.398 4.795 -0.297 575 HG21 VAL 76 1HG2 VAL 76 -5.238 3.834 -3.573 576 HG22 VAL 76 2HG2 VAL 76 -5.887 3.299 -2.022 577 HG23 VAL 76 3HG2 VAL 76 -4.242 3.928 -2.121 578 H VAL 77 H VAL 77 -5.490 8.325 -3.106 579 HA VAL 77 HA VAL 77 -7.676 9.548 -1.763 580 HB VAL 77 HB VAL 77 -5.408 10.706 -3.402 581 HG11 VAL 77 1HG1 VAL 77 -7.545 12.052 -1.743 582 HG12 VAL 77 2HG1 VAL 77 -7.142 12.352 -3.433 583 HG13 VAL 77 3HG1 VAL 77 -6.021 12.835 -2.160 584 HG21 VAL 77 1HG2 VAL 77 -4.203 10.491 -1.507 585 HG22 VAL 77 2HG2 VAL 77 -5.527 9.531 -0.848 586 HG23 VAL 77 3HG2 VAL 77 -5.466 11.270 -0.555 587 H GLY 78 H GLY 78 -6.805 9.419 -5.199 588 HA2 GLY 78 2HA GLY 78 -8.752 11.221 -6.183 589 HA3 GLY 78 1HA GLY 78 -8.079 9.881 -7.108 590 H ALA 79 H ALA 79 -9.072 7.831 -5.208 591 HA ALA 79 HA ALA 79 -11.912 7.899 -6.099 592 HB1 ALA 79 1HB ALA 79 -10.378 5.992 -6.784 593 HB2 ALA 79 2HB ALA 79 -11.887 5.512 -6.009 594 HB3 ALA 79 3HB ALA 79 -10.382 5.500 -5.089 595 H THR 80 H THR 80 -9.965 6.958 -3.249 596 HA THR 80 HA THR 80 -12.320 7.700 -1.570 597 HB THR 80 HB THR 80 -12.117 5.737 -0.236 598 HG1 THR 80 1HG THR 80 -10.390 4.327 -0.480 599 HG21 THR 80 1HG2 THR 80 -13.231 5.375 -2.414 600 HG22 THR 80 2HG2 THR 80 -12.403 3.918 -1.863 601 HG23 THR 80 3HG2 THR 80 -11.681 4.920 -3.121 602 H THR 81 H THR 81 -11.752 8.363 0.599 603 HA THR 81 HA THR 81 -8.861 8.806 1.097 604 HB THR 81 HB THR 81 -9.772 10.860 0.028 605 HG1 THR 81 1HG THR 81 -9.494 11.731 2.607 606 HG21 THR 81 1HG2 THR 81 -12.058 10.279 1.419 607 HG22 THR 81 2HG2 THR 81 -11.706 11.849 0.695 608 HG23 THR 81 3HG2 THR 81 -11.371 11.570 2.404 609 HA PRO 82 HA PRO 82 -11.043 7.428 4.895 610 HB2 PRO 82 2HB PRO 82 -9.332 5.455 5.588 611 HB3 PRO 82 1HB PRO 82 -10.564 5.235 4.329 612 HG2 PRO 82 2HG PRO 82 -7.643 5.655 4.064 613 HG3 PRO 82 1HG PRO 82 -8.751 4.720 3.048 614 HD2 PRO 82 2HD PRO 82 -7.790 7.317 2.495 615 HD3 PRO 82 1HD PRO 82 -9.135 6.500 1.672 616 HA PRO 83 HA PRO 83 -8.704 9.641 7.933 617 HB2 PRO 83 2HB PRO 83 -9.071 8.002 10.151 618 HB3 PRO 83 1HB PRO 83 -10.234 9.210 9.575 619 HG2 PRO 83 2HG PRO 83 -10.210 6.268 9.187 620 HG3 PRO 83 1HG PRO 83 -11.578 7.372 9.406 621 HD2 PRO 83 2HD PRO 83 -10.917 6.349 6.974 622 HD3 PRO 83 1HD PRO 83 -11.642 7.961 7.164 623 H VAL 84 H VAL 84 -6.645 9.617 9.009 624 HA VAL 84 HA VAL 84 -4.997 7.235 8.331 625 HB VAL 84 HB VAL 84 -4.127 9.995 9.234 626 HG11 VAL 84 1HG1 VAL 84 -2.230 8.451 7.686 627 HG12 VAL 84 2HG1 VAL 84 -2.732 7.550 9.116 628 HG13 VAL 84 3HG1 VAL 84 -2.035 9.161 9.288 629 HG21 VAL 84 1HG2 VAL 84 -4.402 8.738 6.491 630 HG22 VAL 84 2HG2 VAL 84 -3.470 10.204 6.795 631 HG23 VAL 84 3HG2 VAL 84 -5.210 10.188 7.087 632 H GLU 85 H GLU 85 -4.341 5.877 9.910 633 HA GLU 85 HA GLU 85 -5.153 6.236 12.650 634 HB2 GLU 85 2HB GLU 85 -3.164 4.315 11.402 635 HB3 GLU 85 1HB GLU 85 -3.752 4.208 13.062 636 HG2 GLU 85 2HG GLU 85 -6.077 4.024 12.207 637 HG3 GLU 85 1HG GLU 85 -5.454 4.058 10.557 638 H ALA 86 H ALA 86 -2.217 6.931 10.862 639 HA ALA 86 HA ALA 86 -0.469 8.398 11.490 640 HB1 ALA 86 1HB ALA 86 -0.670 9.711 13.371 641 HB2 ALA 86 2HB ALA 86 -1.227 8.371 14.373 642 HB3 ALA 86 3HB ALA 86 -2.343 9.163 13.259 643 H LYS 87 H LYS 87 1.428 7.304 11.484 644 HA LYS 87 HA LYS 87 1.850 4.769 12.681 645 HB2 LYS 87 2HB LYS 87 3.872 6.902 11.927 646 HB3 LYS 87 1HB LYS 87 4.277 5.230 12.317 647 HG2 LYS 87 2HG LYS 87 2.765 4.484 10.466 648 HG3 LYS 87 1HG LYS 87 2.526 6.175 10.029 649 HD2 LYS 87 2HD LYS 87 5.005 6.400 9.744 650 HD3 LYS 87 1HD LYS 87 5.155 4.667 10.034 651 HE2 LYS 87 2HE LYS 87 4.816 4.364 7.824 652 HE3 LYS 87 1HE LYS 87 3.153 4.886 8.086 653 HZ1 LYS 87 1HZ LYS 87 4.488 6.150 6.373 654 HZ2 LYS 87 2HZ LYS 87 5.354 6.817 7.673 655 HZ3 LYS 87 3HZ LYS 87 3.681 7.081 7.538 656 H LEU 88 H LEU 88 2.306 8.026 13.956 657 HA LEU 88 HA LEU 88 3.570 6.988 16.413 658 HB2 LEU 88 2HB LEU 88 2.668 9.806 15.736 659 HB3 LEU 88 1HB LEU 88 3.709 9.336 17.080 660 HG LEU 88 HG LEU 88 4.347 9.010 14.133 661 HD11 LEU 88 1HD1 LEU 88 5.799 10.678 16.192 662 HD12 LEU 88 2HD1 LEU 88 4.469 11.334 15.239 663 HD13 LEU 88 3HD1 LEU 88 5.929 10.757 14.435 664 HD21 LEU 88 1HD2 LEU 88 5.446 7.205 15.131 665 HD22 LEU 88 2HD2 LEU 88 5.662 8.053 16.661 666 HD23 LEU 88 3HD2 LEU 88 6.663 8.473 15.271 667 H GLN 89 H GLN 89 2.531 6.878 18.414 668 HA GLN 89 HA GLN 89 -0.427 6.956 18.307 669 HB2 GLN 89 2HB GLN 89 1.490 5.973 20.444 670 HB3 GLN 89 1HB GLN 89 -0.267 5.862 20.544 671 HG2 GLN 89 2HG GLN 89 -0.317 4.483 18.513 672 HG3 GLN 89 1HG GLN 89 1.434 4.623 18.360 673 HE21 GLN 89 1HE2 GLN 89 0.227 2.060 18.641 674 HE22 GLN 89 2HE2 GLN 89 0.645 1.422 20.158 675 H1 PN7 101 3HO SAT 101 3.465 -5.916 -13.341 676 H2 PN7 101 1H1 SAT 101 3.752 -7.261 -10.414 677 H3 PN7 101 2H1 SAT 101 2.382 -7.459 -9.323 678 H5 PN7 101 1HE1 SAT 101 2.982 -5.132 -11.224 679 H6 PN7 101 2HE1 SAT 101 1.554 -5.150 -10.190 680 H7 PN7 101 3HE1 SAT 101 1.380 -4.935 -11.932 681 H8 PN7 101 2HE2 SAT 101 0.312 -7.915 -10.173 682 H9 PN7 101 3HE2 SAT 101 0.076 -8.028 -11.916 683 H10 PN7 101 1HE2 SAT 101 -0.249 -6.510 -11.079 684 H11 PN7 101 3H SAT 101 2.279 -8.409 -12.840 685 H12 PN7 101 5H SAT 101 1.600 -4.789 -13.668 686 H13 PN7 101 1H6 SAT 101 0.963 -5.623 -16.282 687 H14 PN7 101 2H6 SAT 101 2.204 -4.427 -15.907 688 H15 PN7 101 1H7 SAT 101 2.570 -7.439 -15.970 689 H16 PN7 101 2H7 SAT 101 3.814 -6.286 -15.484 690 H17 PN7 101 9H SAT 101 2.345 -4.497 -17.657 691 H18 PN7 101 1H10 SAT 101 4.125 -5.488 -19.843 692 H19 PN7 101 2H10 SAT 101 2.483 -4.946 -20.192 693 H20 PN7 101 1H11 SAT 101 3.836 -3.060 -20.673 694 H21 PN7 101 2H11 SAT 101 4.835 -3.307 -19.241 695 H22 PN7 101 2HS1 SAT 101 2.320 -2.819 -18.002 Start of MODEL 5 1 H1 MET 1 1HT MET 1 0.485 11.835 2.285 2 H2 MET 1 2HT MET 1 0.073 13.415 2.761 3 H3 MET 1 3HT MET 1 0.772 13.137 1.236 4 HA MET 1 HA MET 1 -1.498 13.461 0.806 5 HB2 MET 1 2HB MET 1 -1.063 10.466 1.026 6 HB3 MET 1 1HB MET 1 -2.183 11.289 -0.060 7 HG2 MET 1 2HG MET 1 0.841 11.513 -0.101 8 HG3 MET 1 1HG MET 1 -0.158 10.674 -1.287 9 HE1 MET 1 1HE MET 1 -2.063 13.211 -3.164 10 HE2 MET 1 2HE MET 1 -2.730 12.943 -1.556 11 HE3 MET 1 3HE MET 1 -2.001 11.601 -2.435 12 H GLN 2 H GLN 2 -3.263 11.037 1.417 13 HA GLN 2 HA GLN 2 -4.168 12.017 4.090 14 HB2 GLN 2 2HB GLN 2 -5.681 10.487 1.947 15 HB3 GLN 2 1HB GLN 2 -6.362 11.065 3.468 16 HG2 GLN 2 2HG GLN 2 -5.835 13.388 2.829 17 HG3 GLN 2 1HG GLN 2 -5.153 12.813 1.307 18 HE21 GLN 2 1HE2 GLN 2 -7.358 14.603 1.273 19 HE22 GLN 2 2HE2 GLN 2 -8.728 13.777 0.707 20 H HIS 3 H HIS 3 -4.087 10.616 5.805 21 HA HIS 3 HA HIS 3 -3.371 8.676 6.956 22 HB2 HIS 3 2HB HIS 3 -5.607 7.996 5.121 23 HB3 HIS 3 1HB HIS 3 -4.741 6.631 5.826 24 HD1 HIS 3 1HD HIS 3 -6.074 9.972 7.140 25 HD2 HIS 3 2HD HIS 3 -5.847 5.959 8.254 26 HE1 HIS 3 1HE HIS 3 -7.216 9.786 9.395 27 HE2 HIS 3 2HE HIS 3 -7.083 7.349 10.081 28 H ALA 4 H ALA 4 -1.697 9.436 4.644 29 HA ALA 4 HA ALA 4 -0.997 7.192 3.043 30 HB1 ALA 4 1HB ALA 4 1.134 9.079 3.964 31 HB2 ALA 4 2HB ALA 4 -0.203 9.730 3.017 32 HB3 ALA 4 3HB ALA 4 0.813 8.454 2.345 33 H SER 5 H SER 5 0.124 8.192 6.266 34 HA SER 5 HA SER 5 2.167 6.196 6.505 35 HB2 SER 5 2HB SER 5 2.133 6.697 8.876 36 HB3 SER 5 1HB SER 5 1.916 8.207 7.994 37 HG SER 5 HG SER 5 -0.442 6.944 8.445 38 H VAL 6 H VAL 6 -1.307 6.147 7.098 39 HA VAL 6 HA VAL 6 -1.363 3.640 8.509 40 HB VAL 6 HB VAL 6 -3.462 5.031 6.836 41 HG11 VAL 6 1HG1 VAL 6 -4.883 3.441 8.472 42 HG12 VAL 6 2HG1 VAL 6 -3.445 2.435 8.296 43 HG13 VAL 6 3HG1 VAL 6 -4.365 2.916 6.870 44 HG21 VAL 6 1HG2 VAL 6 -4.122 4.944 9.581 45 HG22 VAL 6 2HG2 VAL 6 -3.629 6.359 8.652 46 HG23 VAL 6 3HG2 VAL 6 -2.420 5.403 9.508 47 H ILE 7 H ILE 7 -1.533 4.496 5.076 48 HA ILE 7 HA ILE 7 -2.155 1.897 4.094 49 HB ILE 7 HB ILE 7 -0.513 4.094 2.804 50 HG12 ILE 7 2HG1 ILE 7 -3.451 3.387 2.511 51 HG13 ILE 7 1HG1 ILE 7 -2.846 4.697 3.523 52 HG21 ILE 7 1HG2 ILE 7 -1.744 1.538 1.761 53 HG22 ILE 7 2HG2 ILE 7 -0.091 2.118 1.558 54 HG23 ILE 7 3HG2 ILE 7 -1.412 2.903 0.695 55 HD11 ILE 7 1HD1 ILE 7 -1.770 4.752 0.795 56 HD12 ILE 7 2HD1 ILE 7 -2.489 6.051 1.745 57 HD13 ILE 7 3HD1 ILE 7 -3.522 4.933 0.856 58 H ALA 8 H ALA 8 1.018 3.479 4.551 59 HA ALA 8 HA ALA 8 2.568 1.186 3.789 60 HB1 ALA 8 1HB ALA 8 4.232 2.444 5.501 61 HB2 ALA 8 2HB ALA 8 3.079 3.747 5.215 62 HB3 ALA 8 3HB ALA 8 3.946 3.024 3.860 63 H GLN 9 H GLN 9 1.525 2.399 6.962 64 HA GLN 9 HA GLN 9 2.673 0.285 8.507 65 HB2 GLN 9 2HB GLN 9 1.824 2.428 9.458 66 HB3 GLN 9 1HB GLN 9 0.179 1.909 9.093 67 HG2 GLN 9 2HG GLN 9 1.272 -0.254 10.466 68 HG3 GLN 9 1HG GLN 9 1.899 1.153 11.322 69 HE21 GLN 9 1HE2 GLN 9 -1.209 -0.078 9.968 70 HE22 GLN 9 2HE2 GLN 9 -2.176 0.584 11.197 71 H PHE 10 H PHE 10 -0.536 0.700 7.077 72 HA PHE 10 HA PHE 10 -1.618 -1.780 8.042 73 HB2 PHE 10 2HB PHE 10 -2.957 0.178 7.210 74 HB3 PHE 10 1HB PHE 10 -2.429 -0.217 5.577 75 HD1 PHE 10 1HD PHE 10 -4.365 -1.429 8.495 76 HD2 PHE 10 2HD PHE 10 -3.362 -2.069 4.368 77 HE1 PHE 10 1HE PHE 10 -6.192 -3.094 8.310 78 HE2 PHE 10 2HE PHE 10 -5.188 -3.737 4.183 79 HZ PHE 10 HZ PHE 10 -6.603 -4.248 6.154 80 H VAL 11 H VAL 11 -0.269 -0.830 4.889 81 HA VAL 11 HA VAL 11 -0.481 -3.451 3.723 82 HB VAL 11 HB VAL 11 1.359 -1.145 3.021 83 HG11 VAL 11 1HG1 VAL 11 1.186 -3.847 2.037 84 HG12 VAL 11 2HG1 VAL 11 2.268 -2.554 1.522 85 HG13 VAL 11 3HG1 VAL 11 0.682 -2.728 0.770 86 HG21 VAL 11 1HG2 VAL 11 -1.260 -0.922 3.004 87 HG22 VAL 11 2HG2 VAL 11 -1.150 -1.922 1.555 88 HG23 VAL 11 3HG2 VAL 11 -0.335 -0.359 1.612 89 H VAL 12 H VAL 12 2.218 -1.724 5.283 90 HA VAL 12 HA VAL 12 4.149 -3.801 4.922 91 HB VAL 12 HB VAL 12 3.971 -1.685 7.075 92 HG11 VAL 12 1HG1 VAL 12 6.376 -2.065 7.363 93 HG12 VAL 12 2HG1 VAL 12 6.341 -3.319 6.123 94 HG13 VAL 12 3HG1 VAL 12 5.494 -3.564 7.647 95 HG21 VAL 12 1HG2 VAL 12 5.888 -1.491 4.820 96 HG22 VAL 12 2HG2 VAL 12 4.944 -0.225 5.605 97 HG23 VAL 12 3HG2 VAL 12 4.189 -1.269 4.401 98 H GLU 13 H GLU 13 1.715 -3.219 7.411 99 HA GLU 13 HA GLU 13 2.589 -5.066 9.359 100 HB2 GLU 13 2HB GLU 13 0.681 -3.493 9.653 101 HB3 GLU 13 1HB GLU 13 -0.271 -4.499 8.569 102 HG2 GLU 13 2HG GLU 13 0.081 -6.432 10.097 103 HG3 GLU 13 1HG GLU 13 0.930 -5.357 11.204 104 H GLU 14 H GLU 14 0.932 -5.585 6.306 105 HA GLU 14 HA GLU 14 0.168 -8.310 6.769 106 HB2 GLU 14 2HB GLU 14 -0.712 -6.881 4.915 107 HB3 GLU 14 1HB GLU 14 0.861 -6.996 4.127 108 HG2 GLU 14 2HG GLU 14 0.636 -9.479 4.121 109 HG3 GLU 14 1HG GLU 14 -0.984 -9.303 4.797 110 H PHE 15 H PHE 15 3.170 -6.812 5.678 111 HA PHE 15 HA PHE 15 4.481 -9.471 5.946 112 HB2 PHE 15 2HB PHE 15 5.697 -9.204 3.870 113 HB3 PHE 15 1HB PHE 15 3.978 -9.033 3.520 114 HD1 PHE 15 1HD PHE 15 7.218 -7.437 3.413 115 HD2 PHE 15 2HD PHE 15 2.990 -6.688 3.364 116 HE1 PHE 15 1HE PHE 15 7.630 -5.176 2.482 117 HE2 PHE 15 2HE PHE 15 3.400 -4.428 2.431 118 HZ PHE 15 HZ PHE 15 5.720 -3.673 1.990 119 H LEU 16 H LEU 16 4.581 -7.477 7.878 120 HA LEU 16 HA LEU 16 6.924 -5.813 7.445 121 HB2 LEU 16 2HB LEU 16 6.338 -4.732 9.364 122 HB3 LEU 16 1HB LEU 16 4.797 -5.501 9.046 123 HG LEU 16 HG LEU 16 6.953 -6.558 10.909 124 HD11 LEU 16 1HD1 LEU 16 4.765 -6.151 12.435 125 HD12 LEU 16 2HD1 LEU 16 4.541 -4.868 11.246 126 HD13 LEU 16 3HD1 LEU 16 6.019 -4.933 12.206 127 HD21 LEU 16 1HD2 LEU 16 4.240 -7.656 11.108 128 HD22 LEU 16 2HD2 LEU 16 5.784 -8.503 11.060 129 HD23 LEU 16 3HD2 LEU 16 5.000 -8.016 9.561 130 HA PRO 17 HA PRO 17 9.781 -8.958 8.841 131 HB2 PRO 17 2HB PRO 17 12.024 -7.429 9.016 132 HB3 PRO 17 1HB PRO 17 11.320 -7.885 7.455 133 HG2 PRO 17 2HG PRO 17 11.092 -5.319 8.952 134 HG3 PRO 17 1HG PRO 17 11.330 -5.597 7.218 135 HD2 PRO 17 2HD PRO 17 8.895 -4.989 8.325 136 HD3 PRO 17 1HD PRO 17 9.091 -5.927 6.829 137 H ASP 18 H ASP 18 11.979 -8.123 10.619 138 HA ASP 18 HA ASP 18 10.534 -8.195 13.143 139 HB2 ASP 18 2HB ASP 18 13.474 -7.949 12.480 140 HB3 ASP 18 1HB ASP 18 12.848 -8.101 14.116 141 H VAL 19 H VAL 19 10.814 -5.774 11.083 142 HA VAL 19 HA VAL 19 11.425 -3.704 13.158 143 HB VAL 19 HB VAL 19 11.422 -3.392 10.143 144 HG11 VAL 19 1HG1 VAL 19 11.119 -1.257 11.083 145 HG12 VAL 19 2HG1 VAL 19 12.871 -1.364 10.903 146 HG13 VAL 19 3HG1 VAL 19 12.129 -1.627 12.481 147 HG21 VAL 19 1HG2 VAL 19 13.858 -3.486 10.283 148 HG22 VAL 19 2HG2 VAL 19 13.189 -4.964 10.975 149 HG23 VAL 19 3HG2 VAL 19 13.780 -3.685 12.034 150 H ALA 20 H ALA 20 9.807 -2.260 13.679 151 HA ALA 20 HA ALA 20 7.119 -2.790 12.755 152 HB1 ALA 20 1HB ALA 20 7.652 -1.920 15.035 153 HB2 ALA 20 2HB ALA 20 6.474 -0.919 14.184 154 HB3 ALA 20 3HB ALA 20 8.155 -0.398 14.300 155 HA PRO 21 HA PRO 21 7.114 -0.362 8.990 156 HB2 PRO 21 2HB PRO 21 4.499 0.703 9.931 157 HB3 PRO 21 1HB PRO 21 4.916 -0.073 8.393 158 HG2 PRO 21 2HG PRO 21 3.534 -1.319 10.345 159 HG3 PRO 21 1HG PRO 21 4.593 -2.167 9.208 160 HD2 PRO 21 2HD PRO 21 4.995 -1.651 12.088 161 HD3 PRO 21 1HD PRO 21 5.744 -2.871 11.033 162 H ALA 22 H ALA 22 6.206 1.125 12.061 163 HA ALA 22 HA ALA 22 6.581 3.859 11.212 164 HB1 ALA 22 1HB ALA 22 6.223 2.415 13.790 165 HB2 ALA 22 2HB ALA 22 5.391 3.846 13.178 166 HB3 ALA 22 3HB ALA 22 7.005 3.994 13.874 167 H ASP 23 H ASP 23 8.717 1.298 12.073 168 HA ASP 23 HA ASP 23 10.970 3.175 12.542 169 HB2 ASP 23 2HB ASP 23 10.745 0.165 12.834 170 HB3 ASP 23 1HB ASP 23 12.227 1.077 13.119 171 H VAL 24 H VAL 24 9.473 1.920 9.949 172 HA VAL 24 HA VAL 24 11.989 1.324 8.462 173 HB VAL 24 HB VAL 24 9.100 0.885 7.638 174 HG11 VAL 24 1HG1 VAL 24 9.997 0.657 5.581 175 HG12 VAL 24 2HG1 VAL 24 10.845 -0.765 6.188 176 HG13 VAL 24 3HG1 VAL 24 11.635 0.811 6.217 177 HG21 VAL 24 1HG2 VAL 24 9.803 -1.558 7.945 178 HG22 VAL 24 2HG2 VAL 24 9.582 -0.629 9.427 179 HG23 VAL 24 3HG2 VAL 24 11.206 -0.942 8.819 180 H ASP 25 H ASP 25 12.662 2.728 6.864 181 HA ASP 25 HA ASP 25 11.539 5.374 6.799 182 HB2 ASP 25 2HB ASP 25 13.491 3.986 4.938 183 HB3 ASP 25 1HB ASP 25 13.105 5.705 4.863 184 H VAL 26 H VAL 26 9.363 5.296 6.165 185 HA VAL 26 HA VAL 26 8.331 3.778 3.982 186 HB VAL 26 HB VAL 26 6.406 5.280 4.077 187 HG11 VAL 26 1HG1 VAL 26 6.959 3.617 5.969 188 HG12 VAL 26 2HG1 VAL 26 5.781 4.880 6.330 189 HG13 VAL 26 3HG1 VAL 26 7.443 5.032 6.903 190 HG21 VAL 26 1HG2 VAL 26 6.832 7.167 5.971 191 HG22 VAL 26 2HG2 VAL 26 7.059 7.473 4.249 192 HG23 VAL 26 3HG2 VAL 26 8.447 7.086 5.267 193 H ASP 27 H ASP 27 10.730 5.947 3.752 194 HA ASP 27 HA ASP 27 9.780 7.292 1.291 195 HB2 ASP 27 2HB ASP 27 12.383 7.482 2.841 196 HB3 ASP 27 1HB ASP 27 12.030 8.402 1.378 197 H LEU 28 H LEU 28 10.805 4.315 1.977 198 HA LEU 28 HA LEU 28 12.782 4.032 -0.205 199 HB2 LEU 28 2HB LEU 28 13.067 2.803 1.955 200 HB3 LEU 28 1HB LEU 28 11.584 1.919 1.608 201 HG LEU 28 HG LEU 28 12.649 1.186 -0.574 202 HD11 LEU 28 1HD1 LEU 28 14.421 2.649 -0.988 203 HD12 LEU 28 2HD1 LEU 28 15.266 1.253 -0.322 204 HD13 LEU 28 3HD1 LEU 28 14.944 2.655 0.697 205 HD21 LEU 28 1HD2 LEU 28 14.265 -0.418 0.648 206 HD22 LEU 28 2HD2 LEU 28 12.573 -0.442 1.143 207 HD23 LEU 28 3HD2 LEU 28 13.766 0.413 2.122 208 H ASP 29 H ASP 29 12.287 3.143 -2.184 209 HA ASP 29 HA ASP 29 9.558 3.048 -3.016 210 HB2 ASP 29 2HB ASP 29 12.044 1.843 -4.271 211 HB3 ASP 29 1HB ASP 29 10.474 1.930 -5.069 212 H LEU 30 H LEU 30 8.090 1.494 -2.562 213 HA LEU 30 HA LEU 30 8.831 -0.923 -1.193 214 HB2 LEU 30 2HB LEU 30 6.220 -0.245 -2.588 215 HB3 LEU 30 1HB LEU 30 6.457 -1.529 -1.402 216 HG LEU 30 HG LEU 30 6.849 1.435 -0.904 217 HD11 LEU 30 1HD1 LEU 30 4.624 -0.497 -0.436 218 HD12 LEU 30 2HD1 LEU 30 4.555 1.226 -0.803 219 HD13 LEU 30 3HD1 LEU 30 4.946 0.686 0.830 220 HD21 LEU 30 1HD2 LEU 30 7.479 -1.038 0.650 221 HD22 LEU 30 2HD2 LEU 30 6.843 0.345 1.540 222 HD23 LEU 30 3HD2 LEU 30 8.331 0.506 0.607 223 H VAL 31 H VAL 31 9.153 -0.095 -4.408 224 HA VAL 31 HA VAL 31 8.278 -2.332 -5.861 225 HB VAL 31 HB VAL 31 10.783 -0.658 -6.180 226 HG11 VAL 31 1HG1 VAL 31 10.579 -1.660 -8.596 227 HG12 VAL 31 2HG1 VAL 31 9.719 -2.969 -7.785 228 HG13 VAL 31 3HG1 VAL 31 11.386 -2.599 -7.340 229 HG21 VAL 31 1HG2 VAL 31 8.303 0.189 -6.497 230 HG22 VAL 31 2HG2 VAL 31 8.405 -0.704 -8.015 231 HG23 VAL 31 3HG2 VAL 31 9.533 0.612 -7.688 232 H ASP 32 H ASP 32 11.239 -1.941 -3.938 233 HA ASP 32 HA ASP 32 12.442 -4.441 -4.539 234 HB2 ASP 32 2HB ASP 32 12.418 -2.858 -1.948 235 HB3 ASP 32 1HB ASP 32 13.462 -4.248 -2.243 236 H ASN 33 H ASN 33 9.838 -3.526 -2.377 237 HA ASN 33 HA ASN 33 9.532 -6.232 -1.292 238 HB2 ASN 33 2HB ASN 33 7.737 -3.805 -1.066 239 HB3 ASN 33 1HB ASN 33 7.588 -5.283 -0.121 240 HD21 ASN 33 1HD2 ASN 33 10.869 -4.685 -0.656 241 HD22 ASN 33 2HD2 ASN 33 11.223 -3.885 0.799 242 H GLY 34 H GLY 34 9.180 -5.279 -4.246 243 HA2 GLY 34 2HA GLY 34 6.610 -5.417 -5.211 244 HA3 GLY 34 1HA GLY 34 7.956 -6.202 -6.038 245 H VAL 35 H VAL 35 8.176 -7.862 -3.382 246 HA VAL 35 HA VAL 35 6.972 -10.229 -4.316 247 HB VAL 35 HB VAL 35 7.539 -9.307 -1.483 248 HG11 VAL 35 1HG1 VAL 35 6.124 -11.681 -2.491 249 HG12 VAL 35 2HG1 VAL 35 6.183 -11.016 -0.858 250 HG13 VAL 35 3HG1 VAL 35 7.481 -12.062 -1.432 251 HG21 VAL 35 1HG2 VAL 35 9.204 -10.121 -3.583 252 HG22 VAL 35 2HG2 VAL 35 9.056 -11.548 -2.558 253 HG23 VAL 35 3HG2 VAL 35 9.643 -10.031 -1.877 254 H ILE 36 H ILE 36 5.650 -7.644 -2.293 255 HA ILE 36 HA ILE 36 3.101 -8.924 -1.812 256 HB ILE 36 HB ILE 36 4.255 -6.880 -0.620 257 HG12 ILE 36 2HG1 ILE 36 1.291 -7.021 -1.245 258 HG13 ILE 36 1HG1 ILE 36 2.126 -7.819 0.086 259 HG21 ILE 36 1HG2 ILE 36 3.722 -4.742 -1.463 260 HG22 ILE 36 2HG2 ILE 36 2.483 -5.381 -2.545 261 HG23 ILE 36 3HG2 ILE 36 4.190 -5.643 -2.905 262 HD11 ILE 36 1HD1 ILE 36 1.145 -5.088 -0.087 263 HD12 ILE 36 2HD1 ILE 36 2.860 -5.132 0.321 264 HD13 ILE 36 3HD1 ILE 36 1.691 -5.989 1.328 265 H ASP 37 H ASP 37 4.429 -7.035 -4.421 266 HA ASP 37 HA ASP 37 1.999 -6.091 -5.567 267 HB2 ASP 37 2HB ASP 37 4.633 -6.777 -6.888 268 HB3 ASP 37 1HB ASP 37 3.311 -5.936 -7.690 269 H SER 38 H SER 38 3.561 -9.252 -5.774 270 HA SER 38 HA SER 38 1.504 -10.071 -7.769 271 HB2 SER 38 2HB SER 38 4.135 -11.298 -6.942 272 HB3 SER 38 1HB SER 38 2.970 -12.140 -7.959 273 H LEU 39 H LEU 39 3.133 -11.689 -5.018 274 HA LEU 39 HA LEU 39 0.894 -13.457 -4.632 275 HB2 LEU 39 2HB LEU 39 3.270 -13.996 -4.033 276 HB3 LEU 39 1HB LEU 39 3.123 -12.868 -2.690 277 HG LEU 39 HG LEU 39 0.960 -14.874 -2.871 278 HD11 LEU 39 1HD1 LEU 39 2.432 -16.611 -1.793 279 HD12 LEU 39 2HD1 LEU 39 3.826 -15.626 -2.236 280 HD13 LEU 39 3HD1 LEU 39 2.801 -16.319 -3.493 281 HD21 LEU 39 1HD2 LEU 39 1.125 -13.307 -0.996 282 HD22 LEU 39 2HD2 LEU 39 2.769 -13.850 -0.660 283 HD23 LEU 39 3HD2 LEU 39 1.411 -14.947 -0.417 284 H GLY 40 H GLY 40 2.139 -10.770 -2.640 285 HA2 GLY 40 2HA GLY 40 -0.029 -10.872 -0.762 286 HA3 GLY 40 1HA GLY 40 1.056 -9.505 -0.985 287 H LEU 41 H LEU 41 0.458 -9.084 -3.767 288 HA LEU 41 HA LEU 41 -1.736 -7.301 -3.567 289 HB2 LEU 41 2HB LEU 41 0.043 -7.236 -5.323 290 HB3 LEU 41 1HB LEU 41 -0.696 -8.648 -6.076 291 HG LEU 41 HG LEU 41 -2.872 -7.051 -5.869 292 HD11 LEU 41 1HD1 LEU 41 -2.399 -4.786 -6.034 293 HD12 LEU 41 2HD1 LEU 41 -0.778 -5.068 -6.668 294 HD13 LEU 41 3HD1 LEU 41 -1.107 -5.301 -4.950 295 HD21 LEU 41 1HD2 LEU 41 -1.982 -8.174 -7.909 296 HD22 LEU 41 2HD2 LEU 41 -0.797 -6.877 -8.078 297 HD23 LEU 41 3HD2 LEU 41 -2.519 -6.525 -8.237 298 H LEU 42 H LEU 42 -1.572 -10.643 -4.750 299 HA LEU 42 HA LEU 42 -4.316 -10.773 -5.603 300 HB2 LEU 42 2HB LEU 42 -2.532 -12.432 -6.229 301 HB3 LEU 42 1HB LEU 42 -2.587 -13.046 -4.583 302 HG LEU 42 HG LEU 42 -5.170 -13.256 -5.052 303 HD11 LEU 42 1HD1 LEU 42 -3.932 -13.275 -7.814 304 HD12 LEU 42 2HD1 LEU 42 -5.147 -12.147 -7.219 305 HD13 LEU 42 3HD1 LEU 42 -5.559 -13.846 -7.449 306 HD21 LEU 42 1HD2 LEU 42 -2.878 -15.021 -5.782 307 HD22 LEU 42 2HD2 LEU 42 -4.477 -15.508 -6.347 308 HD23 LEU 42 3HD2 LEU 42 -4.179 -15.292 -4.622 309 H LYS 43 H LYS 43 -2.692 -11.616 -2.554 310 HA LYS 43 HA LYS 43 -5.078 -12.504 -1.211 311 HB2 LYS 43 2HB LYS 43 -2.728 -13.035 -0.506 312 HB3 LYS 43 1HB LYS 43 -2.570 -11.365 0.029 313 HG2 LYS 43 2HG LYS 43 -4.652 -11.759 1.452 314 HG3 LYS 43 1HG LYS 43 -4.450 -13.476 1.099 315 HD2 LYS 43 2HD LYS 43 -2.261 -11.744 2.282 316 HD3 LYS 43 1HD LYS 43 -3.366 -12.713 3.257 317 HE2 LYS 43 2HE LYS 43 -1.980 -14.464 2.966 318 HE3 LYS 43 1HE LYS 43 -2.409 -14.453 1.255 319 HZ1 LYS 43 1HZ LYS 43 -0.027 -14.272 1.553 320 HZ2 LYS 43 2HZ LYS 43 -0.223 -12.882 2.510 321 HZ3 LYS 43 3HZ LYS 43 -0.642 -12.849 0.864 322 H VAL 44 H VAL 44 -3.356 -9.389 -1.274 323 HA VAL 44 HA VAL 44 -5.043 -8.060 0.609 324 HB VAL 44 HB VAL 44 -3.401 -6.950 -1.681 325 HG11 VAL 44 1HG1 VAL 44 -4.703 -5.596 0.699 326 HG12 VAL 44 2HG1 VAL 44 -5.071 -5.317 -1.003 327 HG13 VAL 44 3HG1 VAL 44 -3.508 -4.830 -0.347 328 HG21 VAL 44 1HG2 VAL 44 -2.556 -8.277 0.568 329 HG22 VAL 44 2HG2 VAL 44 -2.561 -6.604 1.127 330 HG23 VAL 44 3HG2 VAL 44 -1.606 -7.060 -0.283 331 H ILE 45 H ILE 45 -5.183 -8.180 -2.958 332 HA ILE 45 HA ILE 45 -7.414 -6.439 -3.235 333 HB ILE 45 HB ILE 45 -6.078 -8.507 -4.898 334 HG12 ILE 45 2HG1 ILE 45 -5.970 -6.699 -6.479 335 HG13 ILE 45 1HG1 ILE 45 -7.209 -5.790 -5.618 336 HG21 ILE 45 1HG2 ILE 45 -8.296 -9.290 -5.264 337 HG22 ILE 45 2HG2 ILE 45 -7.948 -8.221 -6.622 338 HG23 ILE 45 3HG2 ILE 45 -8.951 -7.651 -5.289 339 HD11 ILE 45 1HD1 ILE 45 -4.586 -5.301 -5.296 340 HD12 ILE 45 2HD1 ILE 45 -4.782 -6.550 -4.069 341 HD13 ILE 45 3HD1 ILE 45 -5.750 -5.080 -3.990 342 H ALA 46 H ALA 46 -7.282 -9.990 -2.916 343 HA ALA 46 HA ALA 46 -10.129 -10.364 -3.003 344 HB1 ALA 46 1HB ALA 46 -7.791 -12.002 -2.065 345 HB2 ALA 46 2HB ALA 46 -8.905 -12.317 -3.397 346 HB3 ALA 46 3HB ALA 46 -9.434 -12.549 -1.730 347 H TRP 47 H TRP 47 -7.848 -10.038 -0.274 348 HA TRP 47 HA TRP 47 -9.982 -10.261 1.695 349 HB2 TRP 47 2HB TRP 47 -7.968 -10.985 2.572 350 HB3 TRP 47 1HB TRP 47 -7.044 -9.716 1.769 351 HD1 TRP 47 HD TRP 47 -10.074 -9.472 4.180 352 HE1 TRP 47 1HE TRP 47 -9.424 -7.856 6.085 353 HE3 TRP 47 3HE TRP 47 -5.279 -8.455 2.845 354 HZ2 TRP 47 2HZ TRP 47 -7.144 -6.330 6.928 355 HZ3 TRP 47 3HZ TRP 47 -3.875 -6.922 4.202 356 HH2 TRP 47 HH TRP 47 -4.803 -5.860 6.240 357 H LEU 48 H LEU 48 -7.927 -7.586 0.541 358 HA LEU 48 HA LEU 48 -9.097 -5.553 2.134 359 HB2 LEU 48 2HB LEU 48 -6.978 -5.413 0.730 360 HB3 LEU 48 1HB LEU 48 -8.021 -5.157 -0.661 361 HG LEU 48 HG LEU 48 -9.097 -3.312 0.877 362 HD11 LEU 48 1HD1 LEU 48 -6.304 -3.020 1.855 363 HD12 LEU 48 2HD1 LEU 48 -7.311 -4.228 2.653 364 HD13 LEU 48 3HD1 LEU 48 -7.817 -2.538 2.621 365 HD21 LEU 48 1HD2 LEU 48 -6.687 -3.310 -0.870 366 HD22 LEU 48 2HD2 LEU 48 -6.972 -1.849 0.077 367 HD23 LEU 48 3HD2 LEU 48 -8.203 -2.426 -1.049 368 H GLU 49 H GLU 49 -9.993 -6.691 -1.135 369 HA GLU 49 HA GLU 49 -12.036 -4.720 -1.530 370 HB2 GLU 49 2HB GLU 49 -12.747 -6.082 -3.376 371 HB3 GLU 49 1HB GLU 49 -10.994 -6.206 -3.309 372 HG2 GLU 49 2HG GLU 49 -11.547 -8.441 -3.485 373 HG3 GLU 49 1HG GLU 49 -11.554 -8.253 -1.734 374 H ASP 50 H ASP 50 -12.029 -7.940 -0.072 375 HA ASP 50 HA ASP 50 -14.880 -8.098 0.315 376 HB2 ASP 50 2HB ASP 50 -13.241 -10.032 0.395 377 HB3 ASP 50 1HB ASP 50 -12.742 -9.433 1.975 378 H ARG 51 H ARG 51 -12.190 -6.925 2.285 379 HA ARG 51 HA ARG 51 -13.586 -6.515 4.712 380 HB2 ARG 51 2HB ARG 51 -11.112 -6.344 4.422 381 HB3 ARG 51 1HB ARG 51 -11.350 -4.803 3.597 382 HG2 ARG 51 2HG ARG 51 -12.469 -3.902 5.609 383 HG3 ARG 51 1HG ARG 51 -12.208 -5.438 6.436 384 HD2 ARG 51 2HD ARG 51 -9.749 -5.154 6.094 385 HD3 ARG 51 1HD ARG 51 -10.062 -3.563 5.401 386 HE ARG 51 HE ARG 51 -11.297 -3.317 7.798 387 HH11 ARG 51 1HH1 ARG 51 -10.303 -2.823 9.765 388 HH12 ARG 51 2HH1 ARG 51 -8.643 -3.249 10.012 389 HH21 ARG 51 1HH2 ARG 51 -8.257 -4.663 6.871 390 HH22 ARG 51 2HH2 ARG 51 -7.486 -4.291 8.376 391 H PHE 52 H PHE 52 -13.261 -4.338 1.887 392 HA PHE 52 HA PHE 52 -15.128 -2.459 3.243 393 HB2 PHE 52 2HB PHE 52 -13.317 -2.150 0.835 394 HB3 PHE 52 1HB PHE 52 -14.449 -0.916 1.375 395 HD1 PHE 52 1HD PHE 52 -11.309 -2.658 2.100 396 HD2 PHE 52 2HD PHE 52 -14.152 0.223 3.542 397 HE1 PHE 52 1HE PHE 52 -9.666 -1.877 3.786 398 HE2 PHE 52 2HE PHE 52 -12.507 1.003 5.226 399 HZ PHE 52 HZ PHE 52 -10.264 -0.047 5.348 400 H GLY 53 H GLY 53 -15.177 -4.998 1.049 401 HA2 GLY 53 2HA GLY 53 -16.886 -5.793 -0.350 402 HA3 GLY 53 1HA GLY 53 -17.939 -4.589 0.394 403 H ILE 54 H ILE 54 -14.941 -3.736 -1.236 404 HA ILE 54 HA ILE 54 -16.589 -2.364 -3.331 405 HB ILE 54 HB ILE 54 -14.762 -0.746 -3.487 406 HG12 ILE 54 2HG1 ILE 54 -13.444 -2.530 -1.412 407 HG13 ILE 54 1HG1 ILE 54 -12.885 -2.255 -3.060 408 HG21 ILE 54 1HG2 ILE 54 -15.508 -1.309 -0.600 409 HG22 ILE 54 2HG2 ILE 54 -16.504 -0.418 -1.748 410 HG23 ILE 54 3HG2 ILE 54 -14.950 0.237 -1.239 411 HD11 ILE 54 1HD1 ILE 54 -11.585 -0.866 -1.548 412 HD12 ILE 54 2HD1 ILE 54 -13.059 -0.192 -0.852 413 HD13 ILE 54 3HD1 ILE 54 -12.628 0.170 -2.524 414 H ALA 55 H ALA 55 -15.864 -2.491 -5.512 415 HA ALA 55 HA ALA 55 -14.541 -4.956 -6.229 416 HB1 ALA 55 1HB ALA 55 -15.491 -2.542 -7.759 417 HB2 ALA 55 2HB ALA 55 -16.084 -4.202 -7.836 418 HB3 ALA 55 3HB ALA 55 -14.530 -3.785 -8.559 419 H ALA 56 H ALA 56 -12.420 -5.250 -7.015 420 HA ALA 56 HA ALA 56 -10.387 -3.556 -5.956 421 HB1 ALA 56 1HB ALA 56 -10.165 -5.506 -8.270 422 HB2 ALA 56 2HB ALA 56 -10.037 -5.945 -6.567 423 HB3 ALA 56 3HB ALA 56 -8.829 -4.888 -7.298 424 H ASP 57 H ASP 57 -11.948 -3.671 -9.121 425 HA ASP 57 HA ASP 57 -11.810 -2.207 -10.950 426 HB2 ASP 57 2HB ASP 57 -11.142 -0.313 -8.690 427 HB3 ASP 57 1HB ASP 57 -11.528 0.198 -10.331 428 H ASP 58 H ASP 58 -9.492 -3.755 -10.560 429 HA ASP 58 HA ASP 58 -7.160 -1.985 -10.692 430 HB2 ASP 58 2HB ASP 58 -7.485 -4.959 -11.122 431 HB3 ASP 58 1HB ASP 58 -5.935 -4.122 -11.177 432 H VAL 59 H VAL 59 -7.458 -0.690 -12.553 433 HA VAL 59 HA VAL 59 -8.286 -1.699 -15.097 434 HB VAL 59 HB VAL 59 -6.618 0.715 -14.377 435 HG11 VAL 59 1HG1 VAL 59 -7.648 1.395 -16.733 436 HG12 VAL 59 2HG1 VAL 59 -7.620 -0.351 -16.986 437 HG13 VAL 59 3HG1 VAL 59 -6.123 0.513 -16.631 438 HG21 VAL 59 1HG2 VAL 59 -9.293 0.163 -13.901 439 HG22 VAL 59 2HG2 VAL 59 -9.337 1.070 -15.413 440 HG23 VAL 59 3HG2 VAL 59 -8.584 1.776 -13.984 441 H GLU 60 H GLU 60 -5.062 -1.178 -13.695 442 HA GLU 60 HA GLU 60 -3.978 -3.302 -15.393 443 HB2 GLU 60 2HB GLU 60 -3.889 -1.313 -16.886 444 HB3 GLU 60 1HB GLU 60 -2.906 -0.484 -15.685 445 HG2 GLU 60 2HG GLU 60 -1.226 -2.289 -15.839 446 HG3 GLU 60 1HG GLU 60 -2.193 -3.060 -17.089 447 H LEU 61 H LEU 61 -2.154 -4.208 -14.446 448 HA LEU 61 HA LEU 61 -1.307 -2.988 -11.868 449 HB2 LEU 61 2HB LEU 61 -0.800 -5.797 -12.888 450 HB3 LEU 61 1HB LEU 61 -0.546 -5.203 -11.249 451 HG LEU 61 HG LEU 61 -3.192 -5.463 -12.682 452 HD11 LEU 61 1HD1 LEU 61 -3.584 -6.914 -10.558 453 HD12 LEU 61 2HD1 LEU 61 -1.825 -6.931 -10.437 454 HD13 LEU 61 3HD1 LEU 61 -2.618 -7.592 -11.867 455 HD21 LEU 61 1HD2 LEU 61 -2.370 -4.064 -10.155 456 HD22 LEU 61 2HD2 LEU 61 -3.965 -4.812 -10.249 457 HD23 LEU 61 3HD2 LEU 61 -3.516 -3.545 -11.393 458 H SER 62 H SER 62 0.819 -2.348 -11.580 459 HA SER 62 HA SER 62 2.917 -3.287 -13.382 460 HB2 SER 62 2HB SER 62 1.472 -1.010 -14.157 461 HB3 SER 62 1HB SER 62 2.966 -0.384 -13.468 462 HG SER 62 HG SER 62 3.187 -0.889 -15.688 463 HA PRO 63 HA PRO 63 5.261 -2.481 -9.708 464 HB2 PRO 63 2HB PRO 63 7.743 -1.992 -10.840 465 HB3 PRO 63 1HB PRO 63 7.069 -3.604 -10.547 466 HG2 PRO 63 2HG PRO 63 7.211 -2.037 -13.060 467 HG3 PRO 63 1HG PRO 63 7.346 -3.785 -12.804 468 HD2 PRO 63 2HD PRO 63 5.088 -2.606 -13.786 469 HD3 PRO 63 1HD PRO 63 5.057 -4.102 -12.830 470 H GLU 64 H GLU 64 5.135 -0.157 -12.287 471 HA GLU 64 HA GLU 64 6.624 1.973 -11.151 472 HB2 GLU 64 2HB GLU 64 4.187 2.048 -12.927 473 HB3 GLU 64 1HB GLU 64 5.209 3.436 -12.587 474 HG2 GLU 64 2HG GLU 64 7.148 2.196 -13.502 475 HG3 GLU 64 1HG GLU 64 6.076 0.860 -13.908 476 H HIS 65 H HIS 65 3.362 0.838 -10.523 477 HA HIS 65 HA HIS 65 2.456 3.155 -9.083 478 HB2 HIS 65 2HB HIS 65 0.988 1.340 -10.027 479 HB3 HIS 65 1HB HIS 65 1.538 0.293 -8.719 480 HD1 HIS 65 1HD HIS 65 0.072 3.813 -9.026 481 HD2 HIS 65 2HD HIS 65 -0.116 0.483 -6.522 482 HE1 HIS 65 1HE HIS 65 -1.616 4.368 -7.220 483 HE2 HIS 65 2HE HIS 65 -1.738 2.348 -5.690 484 H PHE 66 H PHE 66 4.424 0.406 -8.147 485 HA PHE 66 HA PHE 66 4.105 1.065 -5.278 486 HB2 PHE 66 2HB PHE 66 5.633 -1.128 -6.702 487 HB3 PHE 66 1HB PHE 66 5.593 -0.929 -4.949 488 HD1 PHE 66 1HD PHE 66 3.453 -1.155 -3.705 489 HD2 PHE 66 2HD PHE 66 3.734 -1.987 -7.909 490 HE1 PHE 66 1HE PHE 66 1.282 -2.347 -3.613 491 HE2 PHE 66 2HE PHE 66 1.562 -3.180 -7.816 492 HZ PHE 66 HZ PHE 66 0.337 -3.358 -5.668 493 H ARG 67 H ARG 67 5.807 2.487 -7.608 494 HA ARG 67 HA ARG 67 8.518 2.447 -6.780 495 HB2 ARG 67 2HB ARG 67 6.875 4.660 -8.032 496 HB3 ARG 67 1HB ARG 67 8.626 4.731 -7.835 497 HG2 ARG 67 2HG ARG 67 7.467 2.301 -9.102 498 HG3 ARG 67 1HG ARG 67 7.535 3.777 -10.068 499 HD2 ARG 67 2HD ARG 67 9.919 2.696 -8.553 500 HD3 ARG 67 1HD ARG 67 9.580 2.259 -10.227 501 HE ARG 67 HE ARG 67 9.526 5.014 -10.279 502 HH11 ARG 67 1HH1 ARG 67 11.361 6.287 -10.623 503 HH12 ARG 67 2HH1 ARG 67 12.923 5.659 -10.215 504 HH21 ARG 67 1HH2 ARG 67 11.699 2.616 -9.090 505 HH22 ARG 67 2HH2 ARG 67 13.114 3.580 -9.348 506 H SER 68 H SER 68 5.772 4.275 -5.513 507 HA SER 68 HA SER 68 7.395 4.892 -3.119 508 HB2 SER 68 2HB SER 68 7.000 7.272 -3.206 509 HB3 SER 68 1HB SER 68 7.718 6.792 -4.741 510 HG SER 68 HG SER 68 4.940 7.099 -4.221 511 H ILE 69 H ILE 69 6.065 5.652 -1.315 512 HA ILE 69 HA ILE 69 3.581 4.273 -1.068 513 HB ILE 69 HB ILE 69 4.510 6.645 0.575 514 HG12 ILE 69 2HG1 ILE 69 6.380 5.189 0.577 515 HG13 ILE 69 1HG1 ILE 69 5.500 4.779 2.043 516 HG21 ILE 69 1HG2 ILE 69 2.677 4.302 1.027 517 HG22 ILE 69 2HG2 ILE 69 2.319 6.019 1.203 518 HG23 ILE 69 3HG2 ILE 69 3.372 5.212 2.365 519 HD11 ILE 69 1HD1 ILE 69 6.029 2.694 1.024 520 HD12 ILE 69 2HD1 ILE 69 5.556 3.272 -0.573 521 HD13 ILE 69 3HD1 ILE 69 4.327 2.975 0.657 522 H ARG 70 H ARG 70 4.366 7.623 -1.910 523 HA ARG 70 HA ARG 70 1.753 8.715 -1.685 524 HB2 ARG 70 2HB ARG 70 3.992 9.425 -3.604 525 HB3 ARG 70 1HB ARG 70 2.556 10.414 -3.330 526 HG2 ARG 70 2HG ARG 70 3.146 10.525 -0.904 527 HG3 ARG 70 1HG ARG 70 4.635 9.649 -1.260 528 HD2 ARG 70 2HD ARG 70 3.829 12.339 -2.404 529 HD3 ARG 70 1HD ARG 70 5.088 12.054 -1.202 530 HE ARG 70 HE ARG 70 5.506 10.547 -3.662 531 HH11 ARG 70 1HH1 ARG 70 7.296 11.178 -4.892 532 HH12 ARG 70 2HH1 ARG 70 8.058 12.700 -4.569 533 HH21 ARG 70 1HH2 ARG 70 5.891 13.540 -1.995 534 HH22 ARG 70 2HH2 ARG 70 7.263 14.037 -2.929 535 H SER 71 H SER 71 3.279 6.901 -4.334 536 HA SER 71 HA SER 71 1.267 7.357 -6.298 537 HB2 SER 71 2HB SER 71 3.477 6.214 -6.701 538 HB3 SER 71 1HB SER 71 2.835 4.793 -5.882 539 HG SER 71 HG SER 71 1.821 6.053 -8.220 540 H ILE 72 H ILE 72 1.521 4.891 -3.744 541 HA ILE 72 HA ILE 72 -0.845 3.456 -4.403 542 HB ILE 72 HB ILE 72 0.442 3.895 -1.691 543 HG12 ILE 72 2HG1 ILE 72 0.814 1.642 -3.691 544 HG13 ILE 72 1HG1 ILE 72 1.952 2.973 -3.479 545 HG21 ILE 72 1HG2 ILE 72 -1.837 3.003 -1.546 546 HG22 ILE 72 2HG2 ILE 72 -0.664 1.752 -1.138 547 HG23 ILE 72 3HG2 ILE 72 -1.436 1.755 -2.723 548 HD11 ILE 72 1HD1 ILE 72 2.156 2.342 -1.063 549 HD12 ILE 72 2HD1 ILE 72 2.720 1.081 -2.160 550 HD13 ILE 72 3HD1 ILE 72 1.142 0.935 -1.386 551 H ASP 73 H ASP 73 -0.279 6.323 -2.397 552 HA ASP 73 HA ASP 73 -2.831 6.556 -1.213 553 HB2 ASP 73 2HB ASP 73 -0.953 8.730 -2.190 554 HB3 ASP 73 1HB ASP 73 -2.321 8.994 -1.114 555 H ALA 74 H ALA 74 -1.689 7.514 -4.430 556 HA ALA 74 HA ALA 74 -4.031 8.949 -5.216 557 HB1 ALA 74 1HB ALA 74 -2.407 7.334 -7.165 558 HB2 ALA 74 2HB ALA 74 -1.697 8.745 -6.380 559 HB3 ALA 74 3HB ALA 74 -3.138 8.925 -7.382 560 H PHE 75 H PHE 75 -3.176 5.502 -5.453 561 HA PHE 75 HA PHE 75 -5.454 4.709 -6.986 562 HB2 PHE 75 2HB PHE 75 -3.477 3.254 -6.551 563 HB3 PHE 75 1HB PHE 75 -4.010 3.092 -4.880 564 HD1 PHE 75 1HD PHE 75 -5.868 1.685 -4.282 565 HD2 PHE 75 2HD PHE 75 -4.873 2.354 -8.406 566 HE1 PHE 75 1HE PHE 75 -7.407 -0.141 -4.949 567 HE2 PHE 75 2HE PHE 75 -6.414 0.528 -9.073 568 HZ PHE 75 HZ PHE 75 -7.681 -0.719 -7.345 569 H VAL 76 H VAL 76 -4.952 4.653 -3.443 570 HA VAL 76 HA VAL 76 -7.627 3.842 -2.836 571 HB VAL 76 HB VAL 76 -5.532 5.306 -1.212 572 HG11 VAL 76 1HG1 VAL 76 -8.302 4.348 -0.524 573 HG12 VAL 76 2HG1 VAL 76 -7.551 5.900 -0.157 574 HG13 VAL 76 3HG1 VAL 76 -7.047 4.449 0.710 575 HG21 VAL 76 1HG2 VAL 76 -4.913 3.213 -0.423 576 HG22 VAL 76 2HG2 VAL 76 -5.412 2.783 -2.059 577 HG23 VAL 76 3HG2 VAL 76 -6.510 2.520 -0.705 578 H VAL 77 H VAL 77 -6.089 7.041 -3.108 579 HA VAL 77 HA VAL 77 -8.269 8.611 -2.222 580 HB VAL 77 HB VAL 77 -6.101 9.146 -4.260 581 HG11 VAL 77 1HG1 VAL 77 -7.450 10.853 -4.908 582 HG12 VAL 77 2HG1 VAL 77 -6.950 11.595 -3.389 583 HG13 VAL 77 3HG1 VAL 77 -8.473 10.711 -3.481 584 HG21 VAL 77 1HG2 VAL 77 -4.843 9.820 -2.488 585 HG22 VAL 77 2HG2 VAL 77 -5.985 8.888 -1.517 586 HG23 VAL 77 3HG2 VAL 77 -6.209 10.627 -1.715 587 H GLY 78 H GLY 78 -7.520 7.289 -5.428 588 HA2 GLY 78 2HA GLY 78 -9.608 8.577 -6.863 589 HA3 GLY 78 1HA GLY 78 -8.856 7.056 -7.334 590 H ALA 79 H ALA 79 -9.653 5.651 -4.852 591 HA ALA 79 HA ALA 79 -12.496 5.228 -5.614 592 HB1 ALA 79 1HB ALA 79 -10.760 3.331 -5.581 593 HB2 ALA 79 2HB ALA 79 -12.293 3.027 -4.762 594 HB3 ALA 79 3HB ALA 79 -10.857 3.440 -3.824 595 H THR 80 H THR 80 -10.493 5.491 -2.674 596 HA THR 80 HA THR 80 -12.914 6.551 -1.271 597 HB THR 80 HB THR 80 -12.392 5.302 0.693 598 HG1 THR 80 1HG THR 80 -10.029 5.647 0.216 599 HG21 THR 80 1HG2 THR 80 -13.324 4.040 -1.365 600 HG22 THR 80 2HG2 THR 80 -12.682 3.076 -0.034 601 HG23 THR 80 3HG2 THR 80 -11.713 3.332 -1.485 602 H THR 81 H THR 81 -12.402 8.121 0.413 603 HA THR 81 HA THR 81 -9.590 9.093 0.383 604 HB THR 81 HB THR 81 -10.907 10.410 -1.255 605 HG1 THR 81 1HG THR 81 -9.234 11.350 0.080 606 HG21 THR 81 1HG2 THR 81 -12.464 11.772 0.845 607 HG22 THR 81 2HG2 THR 81 -12.966 10.111 0.528 608 HG23 THR 81 3HG2 THR 81 -12.945 11.290 -0.783 609 HA PRO 82 HA PRO 82 -11.169 8.794 4.716 610 HB2 PRO 82 2HB PRO 82 -8.315 8.436 5.322 611 HB3 PRO 82 1HB PRO 82 -9.682 7.377 5.706 612 HG2 PRO 82 2HG PRO 82 -7.812 6.759 3.863 613 HG3 PRO 82 1HG PRO 82 -9.493 6.208 3.765 614 HD2 PRO 82 2HD PRO 82 -8.133 8.388 2.230 615 HD3 PRO 82 1HD PRO 82 -9.414 7.266 1.714 616 HA PRO 83 HA PRO 83 -10.015 12.720 6.414 617 HB2 PRO 83 2HB PRO 83 -8.382 11.591 8.617 618 HB3 PRO 83 1HB PRO 83 -9.836 12.602 8.696 619 HG2 PRO 83 2HG PRO 83 -9.872 9.992 9.305 620 HG3 PRO 83 1HG PRO 83 -11.253 10.815 8.560 621 HD2 PRO 83 2HD PRO 83 -9.280 8.945 7.318 622 HD3 PRO 83 1HD PRO 83 -11.001 9.182 6.946 623 H VAL 84 H VAL 84 -8.301 14.285 6.372 624 HA VAL 84 HA VAL 84 -5.821 13.271 5.116 625 HB VAL 84 HB VAL 84 -6.669 16.135 5.632 626 HG11 VAL 84 1HG1 VAL 84 -5.065 15.800 3.309 627 HG12 VAL 84 2HG1 VAL 84 -4.278 14.911 4.614 628 HG13 VAL 84 3HG1 VAL 84 -4.636 16.627 4.808 629 HG21 VAL 84 1HG2 VAL 84 -7.737 14.176 3.819 630 HG22 VAL 84 2HG2 VAL 84 -6.891 15.414 2.889 631 HG23 VAL 84 3HG2 VAL 84 -8.189 15.872 3.991 632 H GLU 85 H GLU 85 -3.947 13.072 6.233 633 HA GLU 85 HA GLU 85 -3.558 14.681 8.698 634 HB2 GLU 85 2HB GLU 85 -3.142 11.682 8.508 635 HB3 GLU 85 1HB GLU 85 -2.726 12.685 9.898 636 HG2 GLU 85 2HG GLU 85 -5.111 13.366 10.088 637 HG3 GLU 85 1HG GLU 85 -5.505 12.281 8.754 638 H ALA 86 H ALA 86 -1.289 14.957 9.234 639 HA ALA 86 HA ALA 86 0.427 15.139 6.930 640 HB1 ALA 86 1HB ALA 86 2.212 15.454 8.841 641 HB2 ALA 86 2HB ALA 86 0.795 15.507 9.889 642 HB3 ALA 86 3HB ALA 86 0.975 16.686 8.592 643 H LYS 87 H LYS 87 2.087 13.769 6.253 644 HA LYS 87 HA LYS 87 1.956 11.006 7.244 645 HB2 LYS 87 2HB LYS 87 2.187 11.611 4.796 646 HB3 LYS 87 1HB LYS 87 3.826 12.155 5.154 647 HG2 LYS 87 2HG LYS 87 4.366 9.898 6.035 648 HG3 LYS 87 1HG LYS 87 2.741 9.360 5.610 649 HD2 LYS 87 2HD LYS 87 3.215 10.008 3.229 650 HD3 LYS 87 1HD LYS 87 4.881 10.344 3.703 651 HE2 LYS 87 2HE LYS 87 3.491 7.736 3.389 652 HE3 LYS 87 1HE LYS 87 5.182 8.152 3.106 653 HZ1 LYS 87 1HZ LYS 87 3.860 7.678 5.718 654 HZ2 LYS 87 2HZ LYS 87 5.426 8.318 5.562 655 HZ3 LYS 87 3HZ LYS 87 5.085 6.750 5.002 656 H LEU 88 H LEU 88 3.483 10.036 8.547 657 HA LEU 88 HA LEU 88 5.511 11.805 9.757 658 HB2 LEU 88 2HB LEU 88 4.871 8.905 10.373 659 HB3 LEU 88 1HB LEU 88 5.828 10.003 11.366 660 HG LEU 88 HG LEU 88 2.884 10.289 10.700 661 HD11 LEU 88 1HD1 LEU 88 3.639 8.581 12.453 662 HD12 LEU 88 2HD1 LEU 88 2.492 9.802 13.003 663 HD13 LEU 88 3HD1 LEU 88 4.202 9.957 13.402 664 HD21 LEU 88 1HD2 LEU 88 4.898 12.120 11.979 665 HD22 LEU 88 2HD2 LEU 88 3.222 12.160 12.528 666 HD23 LEU 88 3HD2 LEU 88 3.606 12.508 10.842 667 H GLN 89 H GLN 89 7.735 11.515 9.535 668 HA GLN 89 HA GLN 89 9.682 10.938 8.346 669 HB2 GLN 89 2HB GLN 89 8.398 8.209 8.671 670 HB3 GLN 89 1HB GLN 89 10.082 8.486 8.225 671 HG2 GLN 89 2HG GLN 89 10.394 9.760 10.350 672 HG3 GLN 89 1HG GLN 89 8.741 9.342 10.807 673 HE21 GLN 89 1HE2 GLN 89 9.783 6.721 9.074 674 HE22 GLN 89 2HE2 GLN 89 10.404 5.769 10.334 675 H1 PN7 101 3HO SAT 101 5.709 -8.846 -11.631 676 H2 PN7 101 1H1 SAT 101 6.034 -7.485 -8.546 677 H3 PN7 101 2H1 SAT 101 4.350 -7.924 -8.835 678 H5 PN7 101 1HE1 SAT 101 7.025 -7.625 -11.465 679 H6 PN7 101 2HE1 SAT 101 7.361 -6.406 -10.237 680 H7 PN7 101 3HE1 SAT 101 6.675 -5.927 -11.789 681 H8 PN7 101 2HE2 SAT 101 3.662 -5.544 -9.990 682 H9 PN7 101 3HE2 SAT 101 5.088 -4.746 -10.649 683 H10 PN7 101 1HE2 SAT 101 5.095 -5.329 -8.986 684 H11 PN7 101 3H SAT 101 3.343 -7.470 -11.175 685 H12 PN7 101 5H SAT 101 3.220 -4.989 -12.742 686 H13 PN7 101 1H6 SAT 101 2.245 -7.545 -13.805 687 H14 PN7 101 2H6 SAT 101 1.377 -6.010 -13.839 688 H15 PN7 101 1H7 SAT 101 1.875 -6.225 -16.090 689 H16 PN7 101 2H7 SAT 101 3.367 -7.113 -15.783 690 H17 PN7 101 9H SAT 101 5.359 -4.837 -14.784 691 H18 PN7 101 1H10 SAT 101 6.591 -5.764 -16.565 692 H19 PN7 101 2H10 SAT 101 5.080 -6.407 -17.208 693 H20 PN7 101 1H11 SAT 101 4.775 -3.699 -17.610 694 H21 PN7 101 2H11 SAT 101 5.327 -4.842 -18.834 695 H22 PN7 101 2HS1 SAT 101 7.259 -3.107 -17.088 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -0.241 13.991 0.012 2 H2 MET 1 2HT MET 1 -1.472 14.491 1.071 3 H3 MET 1 3HT MET 1 -1.866 13.705 -0.383 4 HA MET 1 HA MET 1 -1.263 11.649 0.369 5 HB2 MET 1 2HB MET 1 0.540 13.196 2.228 6 HB3 MET 1 1HB MET 1 0.209 11.480 2.481 7 HG2 MET 1 2HG MET 1 0.975 11.006 0.177 8 HG3 MET 1 1HG MET 1 1.353 12.715 -0.040 9 HE1 MET 1 1HE MET 1 2.606 14.029 1.490 10 HE2 MET 1 2HE MET 1 4.139 13.555 2.215 11 HE3 MET 1 3HE MET 1 2.644 13.351 3.124 12 H GLN 2 H GLN 2 -3.467 11.514 0.881 13 HA GLN 2 HA GLN 2 -4.244 12.320 3.649 14 HB2 GLN 2 2HB GLN 2 -5.957 11.536 1.265 15 HB3 GLN 2 1HB GLN 2 -6.574 12.020 2.845 16 HG2 GLN 2 2HG GLN 2 -5.505 14.221 2.608 17 HG3 GLN 2 1HG GLN 2 -4.847 13.742 1.043 18 HE21 GLN 2 1HE2 GLN 2 -6.588 15.982 1.216 19 HE22 GLN 2 2HE2 GLN 2 -8.058 15.595 0.461 20 H HIS 3 H HIS 3 -4.919 10.706 5.108 21 HA HIS 3 HA HIS 3 -4.916 8.511 5.983 22 HB2 HIS 3 2HB HIS 3 -7.026 8.505 4.671 23 HB3 HIS 3 1HB HIS 3 -6.129 7.975 3.250 24 HD1 HIS 3 1HD HIS 3 -5.715 5.504 3.008 25 HD2 HIS 3 2HD HIS 3 -6.993 6.511 6.849 26 HE1 HIS 3 1HE HIS 3 -6.134 3.317 4.220 27 HE2 HIS 3 2HE HIS 3 -6.914 3.919 6.559 28 H ALA 4 H ALA 4 -2.782 9.501 3.850 29 HA ALA 4 HA ALA 4 -1.748 7.189 2.543 30 HB1 ALA 4 1HB ALA 4 -0.082 9.491 3.573 31 HB2 ALA 4 2HB ALA 4 -1.114 9.630 2.150 32 HB3 ALA 4 3HB ALA 4 0.222 8.480 2.160 33 H SER 5 H SER 5 -1.208 8.477 5.808 34 HA SER 5 HA SER 5 1.009 6.853 6.512 35 HB2 SER 5 2HB SER 5 -1.262 7.743 8.311 36 HB3 SER 5 1HB SER 5 0.340 7.235 8.838 37 HG SER 5 HG SER 5 1.124 9.110 8.245 38 H VAL 6 H VAL 6 -2.470 6.193 6.691 39 HA VAL 6 HA VAL 6 -2.195 3.597 7.907 40 HB VAL 6 HB VAL 6 -4.386 4.837 6.242 41 HG11 VAL 6 1HG1 VAL 6 -5.709 2.888 7.410 42 HG12 VAL 6 2HG1 VAL 6 -4.125 2.119 7.494 43 HG13 VAL 6 3HG1 VAL 6 -4.810 2.557 5.929 44 HG21 VAL 6 1HG2 VAL 6 -4.189 5.930 8.356 45 HG22 VAL 6 2HG2 VAL 6 -3.924 4.403 9.198 46 HG23 VAL 6 3HG2 VAL 6 -5.516 4.783 8.539 47 H ILE 7 H ILE 7 -2.244 4.736 4.562 48 HA ILE 7 HA ILE 7 -2.454 2.209 3.284 49 HB ILE 7 HB ILE 7 -0.996 4.713 2.401 50 HG12 ILE 7 2HG1 ILE 7 -3.748 3.659 1.678 51 HG13 ILE 7 1HG1 ILE 7 -3.461 4.898 2.897 52 HG21 ILE 7 1HG2 ILE 7 -1.748 2.163 0.959 53 HG22 ILE 7 2HG2 ILE 7 -0.168 2.942 1.039 54 HG23 ILE 7 3HG2 ILE 7 -1.465 3.675 0.095 55 HD11 ILE 7 1HD1 ILE 7 -3.469 5.127 -0.021 56 HD12 ILE 7 2HD1 ILE 7 -2.032 5.833 0.717 57 HD13 ILE 7 3HD1 ILE 7 -3.635 6.384 1.203 58 H ALA 8 H ALA 8 0.483 4.036 4.210 59 HA ALA 8 HA ALA 8 2.328 2.011 3.354 60 HB1 ALA 8 1HB ALA 8 2.429 4.463 4.985 61 HB2 ALA 8 2HB ALA 8 3.587 3.853 3.804 62 HB3 ALA 8 3HB ALA 8 3.607 3.238 5.457 63 H GLN 9 H GLN 9 0.831 2.689 6.496 64 HA GLN 9 HA GLN 9 2.072 0.522 7.906 65 HB2 GLN 9 2HB GLN 9 0.936 2.443 9.011 66 HB3 GLN 9 1HB GLN 9 -0.612 1.847 8.412 67 HG2 GLN 9 2HG GLN 9 0.514 -0.382 9.630 68 HG3 GLN 9 1HG GLN 9 0.957 0.943 10.703 69 HE21 GLN 9 1HE2 GLN 9 -1.944 -0.143 8.841 70 HE22 GLN 9 2HE2 GLN 9 -3.052 0.232 10.074 71 H PHE 10 H PHE 10 -1.004 0.830 6.191 72 HA PHE 10 HA PHE 10 -1.978 -1.802 6.753 73 HB2 PHE 10 2HB PHE 10 -3.367 0.108 5.924 74 HB3 PHE 10 1HB PHE 10 -2.576 -0.045 4.357 75 HD1 PHE 10 1HD PHE 10 -3.110 -1.846 2.846 76 HD2 PHE 10 2HD PHE 10 -4.827 -1.704 6.780 77 HE1 PHE 10 1HE PHE 10 -4.725 -3.614 2.204 78 HE2 PHE 10 2HE PHE 10 -6.442 -3.473 6.138 79 HZ PHE 10 HZ PHE 10 -6.391 -4.427 3.853 80 H VAL 11 H VAL 11 -0.331 -0.463 3.891 81 HA VAL 11 HA VAL 11 -0.171 -2.974 2.499 82 HB VAL 11 HB VAL 11 1.553 -0.491 2.253 83 HG11 VAL 11 1HG1 VAL 11 1.733 -3.097 1.036 84 HG12 VAL 11 2HG1 VAL 11 2.769 -1.690 0.790 85 HG13 VAL 11 3HG1 VAL 11 1.320 -1.901 -0.192 86 HG21 VAL 11 1HG2 VAL 11 -0.721 -1.340 0.459 87 HG22 VAL 11 2HG2 VAL 11 0.023 0.251 0.608 88 HG23 VAL 11 3HG2 VAL 11 -1.009 -0.364 1.899 89 H VAL 12 H VAL 12 2.144 -1.209 4.545 90 HA VAL 12 HA VAL 12 4.270 -3.105 4.304 91 HB VAL 12 HB VAL 12 3.626 -1.179 6.543 92 HG11 VAL 12 1HG1 VAL 12 5.199 -2.970 7.226 93 HG12 VAL 12 2HG1 VAL 12 6.001 -1.406 7.139 94 HG13 VAL 12 3HG1 VAL 12 6.222 -2.585 5.846 95 HG21 VAL 12 1HG2 VAL 12 4.729 0.444 5.345 96 HG22 VAL 12 2HG2 VAL 12 4.146 -0.517 3.987 97 HG23 VAL 12 3HG2 VAL 12 5.800 -0.718 4.563 98 H GLU 13 H GLU 13 1.497 -2.900 6.481 99 HA GLU 13 HA GLU 13 2.255 -4.836 8.392 100 HB2 GLU 13 2HB GLU 13 0.216 -3.422 8.551 101 HB3 GLU 13 1HB GLU 13 -0.515 -4.389 7.276 102 HG2 GLU 13 2HG GLU 13 -0.220 -6.420 8.686 103 HG3 GLU 13 1HG GLU 13 0.402 -5.391 9.974 104 H GLU 14 H GLU 14 1.064 -5.222 5.113 105 HA GLU 14 HA GLU 14 0.422 -8.009 5.284 106 HB2 GLU 14 2HB GLU 14 -0.271 -6.494 3.418 107 HB3 GLU 14 1HB GLU 14 1.401 -6.477 2.862 108 HG2 GLU 14 2HG GLU 14 1.325 -8.959 2.663 109 HG3 GLU 14 1HG GLU 14 -0.380 -8.914 3.112 110 H PHE 15 H PHE 15 3.451 -6.282 4.762 111 HA PHE 15 HA PHE 15 4.869 -8.880 5.054 112 HB2 PHE 15 2HB PHE 15 6.342 -8.426 3.187 113 HB3 PHE 15 1HB PHE 15 4.681 -8.315 2.607 114 HD1 PHE 15 1HD PHE 15 3.595 -6.021 2.427 115 HD2 PHE 15 2HD PHE 15 7.810 -6.561 3.059 116 HE1 PHE 15 1HE PHE 15 4.006 -3.695 1.673 117 HE2 PHE 15 2HE PHE 15 8.220 -4.233 2.310 118 HZ PHE 15 HZ PHE 15 6.319 -2.800 1.617 119 H LEU 16 H LEU 16 4.566 -6.966 7.071 120 HA LEU 16 HA LEU 16 6.867 -5.191 7.057 121 HB2 LEU 16 2HB LEU 16 5.966 -4.223 8.913 122 HB3 LEU 16 1HB LEU 16 4.521 -5.023 8.335 123 HG LEU 16 HG LEU 16 6.414 -6.094 10.458 124 HD11 LEU 16 1HD1 LEU 16 3.971 -4.449 10.496 125 HD12 LEU 16 2HD1 LEU 16 5.230 -4.631 11.717 126 HD13 LEU 16 3HD1 LEU 16 3.944 -5.832 11.591 127 HD21 LEU 16 1HD2 LEU 16 4.751 -7.559 8.773 128 HD22 LEU 16 2HD2 LEU 16 3.748 -7.293 10.193 129 HD23 LEU 16 3HD2 LEU 16 5.316 -8.084 10.355 130 HA PRO 17 HA PRO 17 9.615 -8.279 8.782 131 HB2 PRO 17 2HB PRO 17 11.763 -6.694 9.262 132 HB3 PRO 17 1HB PRO 17 11.271 -7.113 7.612 133 HG2 PRO 17 2HG PRO 17 10.764 -4.613 9.154 134 HG3 PRO 17 1HG PRO 17 11.246 -4.814 7.462 135 HD2 PRO 17 2HD PRO 17 8.662 -4.328 8.242 136 HD3 PRO 17 1HD PRO 17 9.095 -5.201 6.757 137 H ASP 18 H ASP 18 11.527 -7.350 10.856 138 HA ASP 18 HA ASP 18 9.725 -7.485 13.149 139 HB2 ASP 18 2HB ASP 18 11.785 -7.563 14.466 140 HB3 ASP 18 1HB ASP 18 11.918 -8.673 13.107 141 H VAL 19 H VAL 19 10.208 -5.057 11.177 142 HA VAL 19 HA VAL 19 10.584 -2.992 13.312 143 HB VAL 19 HB VAL 19 10.867 -2.651 10.314 144 HG11 VAL 19 1HG1 VAL 19 10.434 -0.544 11.312 145 HG12 VAL 19 2HG1 VAL 19 12.191 -0.612 11.170 146 HG13 VAL 19 3HG1 VAL 19 11.418 -0.918 12.726 147 HG21 VAL 19 1HG2 VAL 19 13.370 -2.479 11.038 148 HG22 VAL 19 2HG2 VAL 19 12.656 -4.083 10.870 149 HG23 VAL 19 3HG2 VAL 19 12.852 -3.368 12.471 150 H ALA 20 H ALA 20 8.918 -1.543 13.656 151 HA ALA 20 HA ALA 20 6.333 -2.110 12.496 152 HB1 ALA 20 1HB ALA 20 5.505 -0.363 13.897 153 HB2 ALA 20 2HB ALA 20 7.094 0.396 14.002 154 HB3 ALA 20 3HB ALA 20 6.794 -1.140 14.816 155 HA PRO 21 HA PRO 21 6.632 0.262 8.702 156 HB2 PRO 21 2HB PRO 21 3.936 1.305 9.439 157 HB3 PRO 21 1HB PRO 21 4.480 0.557 7.927 158 HG2 PRO 21 2HG PRO 21 2.973 -0.755 9.712 159 HG3 PRO 21 1HG PRO 21 4.187 -1.565 8.711 160 HD2 PRO 21 2HD PRO 21 4.251 -0.981 11.615 161 HD3 PRO 21 1HD PRO 21 5.111 -2.226 10.680 162 H ALA 22 H ALA 22 5.553 1.763 11.698 163 HA ALA 22 HA ALA 22 5.923 4.500 10.843 164 HB1 ALA 22 1HB ALA 22 6.322 4.198 13.672 165 HB2 ALA 22 2HB ALA 22 5.005 3.139 13.168 166 HB3 ALA 22 3HB ALA 22 4.926 4.870 12.828 167 H ASP 23 H ASP 23 8.061 1.986 11.862 168 HA ASP 23 HA ASP 23 10.244 3.950 12.358 169 HB2 ASP 23 2HB ASP 23 10.029 0.987 12.958 170 HB3 ASP 23 1HB ASP 23 11.480 1.948 13.241 171 H VAL 24 H VAL 24 8.981 2.556 9.760 172 HA VAL 24 HA VAL 24 11.572 1.668 8.589 173 HB VAL 24 HB VAL 24 8.748 1.461 7.491 174 HG11 VAL 24 1HG1 VAL 24 9.835 -0.106 5.868 175 HG12 VAL 24 2HG1 VAL 24 11.405 0.363 6.521 176 HG13 VAL 24 3HG1 VAL 24 10.399 1.557 5.701 177 HG21 VAL 24 1HG2 VAL 24 10.541 -0.404 9.032 178 HG22 VAL 24 2HG2 VAL 24 9.353 -1.053 7.902 179 HG23 VAL 24 3HG2 VAL 24 8.827 -0.071 9.269 180 H ASP 25 H ASP 25 12.566 2.892 7.016 181 HA ASP 25 HA ASP 25 11.748 5.630 6.673 182 HB2 ASP 25 2HB ASP 25 13.744 3.933 5.143 183 HB3 ASP 25 1HB ASP 25 13.556 5.675 4.932 184 H VAL 26 H VAL 26 9.594 5.550 5.849 185 HA VAL 26 HA VAL 26 8.777 4.044 3.573 186 HB VAL 26 HB VAL 26 6.880 5.568 3.454 187 HG11 VAL 26 1HG1 VAL 26 6.228 4.391 5.268 188 HG12 VAL 26 2HG1 VAL 26 6.775 5.760 6.237 189 HG13 VAL 26 3HG1 VAL 26 7.857 4.398 5.942 190 HG21 VAL 26 1HG2 VAL 26 8.845 7.404 4.631 191 HG22 VAL 26 2HG2 VAL 26 7.280 7.459 5.444 192 HG23 VAL 26 3HG2 VAL 26 7.385 7.765 3.710 193 H ASP 27 H ASP 27 11.235 6.162 3.589 194 HA ASP 27 HA ASP 27 10.581 7.559 1.069 195 HB2 ASP 27 2HB ASP 27 11.880 8.694 2.897 196 HB3 ASP 27 1HB ASP 27 13.183 7.532 2.631 197 H LEU 28 H LEU 28 11.399 4.515 1.807 198 HA LEU 28 HA LEU 28 13.447 4.147 -0.308 199 HB2 LEU 28 2HB LEU 28 13.664 2.972 1.896 200 HB3 LEU 28 1HB LEU 28 12.177 2.101 1.535 201 HG LEU 28 HG LEU 28 13.503 1.557 -0.730 202 HD11 LEU 28 1HD1 LEU 28 15.478 2.875 -0.119 203 HD12 LEU 28 2HD1 LEU 28 15.891 1.162 -0.204 204 HD13 LEU 28 3HD1 LEU 28 15.661 1.938 1.363 205 HD21 LEU 28 1HD2 LEU 28 12.689 -0.245 0.543 206 HD22 LEU 28 2HD2 LEU 28 13.611 0.229 1.972 207 HD23 LEU 28 3HD2 LEU 28 14.435 -0.491 0.589 208 H ASP 29 H ASP 29 12.929 3.297 -2.296 209 HA ASP 29 HA ASP 29 10.168 3.089 -3.072 210 HB2 ASP 29 2HB ASP 29 12.702 2.101 -4.420 211 HB3 ASP 29 1HB ASP 29 11.110 2.081 -5.178 212 H LEU 30 H LEU 30 8.830 1.411 -2.596 213 HA LEU 30 HA LEU 30 9.895 -1.012 -1.404 214 HB2 LEU 30 2HB LEU 30 7.576 -1.702 -1.192 215 HB3 LEU 30 1HB LEU 30 7.700 0.002 -0.753 216 HG LEU 30 HG LEU 30 7.280 0.003 -3.527 217 HD11 LEU 30 1HD1 LEU 30 5.133 -1.305 -3.671 218 HD12 LEU 30 2HD1 LEU 30 5.516 -2.014 -2.103 219 HD13 LEU 30 3HD1 LEU 30 6.566 -2.317 -3.489 220 HD21 LEU 30 1HD2 LEU 30 6.395 1.658 -1.987 221 HD22 LEU 30 2HD2 LEU 30 5.403 0.439 -1.185 222 HD23 LEU 30 3HD2 LEU 30 5.043 0.920 -2.844 223 H VAL 31 H VAL 31 10.107 -0.128 -4.479 224 HA VAL 31 HA VAL 31 8.907 -2.144 -6.047 225 HB VAL 31 HB VAL 31 10.287 -0.116 -6.829 226 HG11 VAL 31 1HG1 VAL 31 12.283 -0.870 -5.408 227 HG12 VAL 31 2HG1 VAL 31 12.645 -0.382 -7.063 228 HG13 VAL 31 3HG1 VAL 31 12.568 -2.094 -6.645 229 HG21 VAL 31 1HG2 VAL 31 10.930 -1.250 -8.907 230 HG22 VAL 31 2HG2 VAL 31 9.380 -1.873 -8.342 231 HG23 VAL 31 3HG2 VAL 31 10.851 -2.815 -8.099 232 H ASP 32 H ASP 32 11.890 -2.219 -4.143 233 HA ASP 32 HA ASP 32 12.860 -4.752 -5.000 234 HB2 ASP 32 2HB ASP 32 12.998 -3.425 -2.271 235 HB3 ASP 32 1HB ASP 32 13.911 -4.867 -2.715 236 H ASN 33 H ASN 33 10.370 -3.811 -2.716 237 HA ASN 33 HA ASN 33 9.823 -6.572 -1.891 238 HB2 ASN 33 2HB ASN 33 8.254 -4.037 -1.385 239 HB3 ASN 33 1HB ASN 33 8.024 -5.579 -0.566 240 HD21 ASN 33 1HD2 ASN 33 9.196 -2.694 0.150 241 HD22 ASN 33 2HD2 ASN 33 10.552 -3.095 1.089 242 H GLY 34 H GLY 34 9.510 -5.307 -4.729 243 HA2 GLY 34 2HA GLY 34 6.913 -5.123 -5.623 244 HA3 GLY 34 1HA GLY 34 8.164 -5.941 -6.560 245 H VAL 35 H VAL 35 8.299 -7.815 -4.039 246 HA VAL 35 HA VAL 35 6.914 -10.015 -5.130 247 HB VAL 35 HB VAL 35 7.595 -9.349 -2.252 248 HG11 VAL 35 1HG1 VAL 35 5.992 -11.543 -3.395 249 HG12 VAL 35 2HG1 VAL 35 6.099 -10.978 -1.728 250 HG13 VAL 35 3HG1 VAL 35 7.320 -12.080 -2.365 251 HG21 VAL 35 1HG2 VAL 35 8.903 -11.622 -3.528 252 HG22 VAL 35 2HG2 VAL 35 9.623 -10.219 -2.740 253 HG23 VAL 35 3HG2 VAL 35 9.154 -10.133 -4.438 254 H ILE 36 H ILE 36 5.798 -7.489 -2.928 255 HA ILE 36 HA ILE 36 3.189 -8.627 -2.440 256 HB ILE 36 HB ILE 36 4.487 -6.731 -1.180 257 HG12 ILE 36 2HG1 ILE 36 1.517 -6.618 -1.781 258 HG13 ILE 36 1HG1 ILE 36 2.300 -7.508 -0.477 259 HG21 ILE 36 1HG2 ILE 36 2.831 -5.008 -3.019 260 HG22 ILE 36 2HG2 ILE 36 4.509 -5.393 -3.408 261 HG23 ILE 36 3HG2 ILE 36 4.125 -4.521 -1.924 262 HD11 ILE 36 1HD1 ILE 36 1.954 -5.672 0.797 263 HD12 ILE 36 2HD1 ILE 36 1.571 -4.680 -0.611 264 HD13 ILE 36 3HD1 ILE 36 3.252 -4.925 -0.137 265 H ASP 37 H ASP 37 4.558 -6.713 -5.006 266 HA ASP 37 HA ASP 37 2.209 -5.511 -6.035 267 HB2 ASP 37 2HB ASP 37 4.672 -6.467 -7.513 268 HB3 ASP 37 1HB ASP 37 3.431 -5.425 -8.203 269 H SER 38 H SER 38 3.424 -8.813 -6.475 270 HA SER 38 HA SER 38 1.159 -9.307 -8.343 271 HB2 SER 38 2HB SER 38 3.040 -11.509 -7.922 272 HB3 SER 38 1HB SER 38 2.487 -10.773 -9.424 273 H LEU 39 H LEU 39 2.808 -11.247 -5.823 274 HA LEU 39 HA LEU 39 0.446 -12.836 -5.393 275 HB2 LEU 39 2HB LEU 39 2.972 -12.549 -3.772 276 HB3 LEU 39 1HB LEU 39 1.722 -13.742 -3.436 277 HG LEU 39 HG LEU 39 2.144 -14.143 -6.112 278 HD11 LEU 39 1HD1 LEU 39 4.121 -12.464 -5.748 279 HD12 LEU 39 2HD1 LEU 39 4.406 -13.936 -6.676 280 HD13 LEU 39 3HD1 LEU 39 4.918 -13.843 -4.992 281 HD21 LEU 39 1HD2 LEU 39 2.031 -15.847 -4.303 282 HD22 LEU 39 2HD2 LEU 39 3.676 -15.427 -3.828 283 HD23 LEU 39 3HD2 LEU 39 3.372 -16.149 -5.408 284 H GLY 40 H GLY 40 2.039 -10.400 -3.328 285 HA2 GLY 40 2HA GLY 40 -0.017 -10.450 -1.327 286 HA3 GLY 40 1HA GLY 40 1.165 -9.160 -1.537 287 H LEU 41 H LEU 41 0.460 -8.524 -4.242 288 HA LEU 41 HA LEU 41 -1.569 -6.588 -3.820 289 HB2 LEU 41 2HB LEU 41 0.146 -6.562 -5.650 290 HB3 LEU 41 1HB LEU 41 -0.763 -7.835 -6.462 291 HG LEU 41 HG LEU 41 -2.778 -6.146 -6.141 292 HD11 LEU 41 1HD1 LEU 41 -0.321 -4.376 -6.091 293 HD12 LEU 41 2HD1 LEU 41 -1.537 -4.514 -4.821 294 HD13 LEU 41 3HD1 LEU 41 -1.963 -3.801 -6.377 295 HD21 LEU 41 1HD2 LEU 41 -1.815 -6.955 -8.300 296 HD22 LEU 41 2HD2 LEU 41 -0.602 -5.678 -8.205 297 HD23 LEU 41 3HD2 LEU 41 -2.308 -5.264 -8.375 298 H LEU 42 H LEU 42 -1.731 -9.839 -5.239 299 HA LEU 42 HA LEU 42 -4.501 -9.676 -5.988 300 HB2 LEU 42 2HB LEU 42 -2.871 -11.410 -6.813 301 HB3 LEU 42 1HB LEU 42 -2.949 -12.164 -5.227 302 HG LEU 42 HG LEU 42 -5.538 -12.130 -5.622 303 HD11 LEU 42 1HD1 LEU 42 -4.780 -10.854 -7.915 304 HD12 LEU 42 2HD1 LEU 42 -6.296 -11.734 -7.729 305 HD13 LEU 42 3HD1 LEU 42 -4.905 -12.519 -8.476 306 HD21 LEU 42 1HD2 LEU 42 -5.322 -14.325 -6.854 307 HD22 LEU 42 2HD2 LEU 42 -4.290 -14.196 -5.430 308 HD23 LEU 42 3HD2 LEU 42 -3.601 -13.985 -7.038 309 H LYS 43 H LYS 43 -2.879 -10.920 -3.065 310 HA LYS 43 HA LYS 43 -5.294 -11.749 -1.755 311 HB2 LYS 43 2HB LYS 43 -2.595 -10.971 -0.643 312 HB3 LYS 43 1HB LYS 43 -3.877 -11.724 0.297 313 HG2 LYS 43 2HG LYS 43 -3.874 -13.639 -1.307 314 HG3 LYS 43 1HG LYS 43 -2.500 -12.901 -2.132 315 HD2 LYS 43 2HD LYS 43 -1.223 -12.970 0.010 316 HD3 LYS 43 1HD LYS 43 -2.580 -13.811 0.760 317 HE2 LYS 43 2HE LYS 43 -2.144 -15.776 -0.331 318 HE3 LYS 43 1HE LYS 43 -1.577 -14.961 -1.789 319 HZ1 LYS 43 1HZ LYS 43 0.335 -14.242 -0.145 320 HZ2 LYS 43 2HZ LYS 43 0.391 -15.712 -0.995 321 HZ3 LYS 43 3HZ LYS 43 -0.108 -15.685 0.629 322 H VAL 44 H VAL 44 -3.461 -8.713 -1.736 323 HA VAL 44 HA VAL 44 -4.934 -7.444 0.361 324 HB VAL 44 HB VAL 44 -3.459 -6.270 -2.009 325 HG11 VAL 44 1HG1 VAL 44 -4.801 -5.031 0.384 326 HG12 VAL 44 2HG1 VAL 44 -4.857 -4.520 -1.303 327 HG13 VAL 44 3HG1 VAL 44 -3.396 -4.257 -0.350 328 HG21 VAL 44 1HG2 VAL 44 -2.346 -5.947 0.673 329 HG22 VAL 44 2HG2 VAL 44 -1.580 -6.572 -0.788 330 HG23 VAL 44 3HG2 VAL 44 -2.536 -7.645 0.235 331 H ILE 45 H ILE 45 -5.400 -7.386 -3.179 332 HA ILE 45 HA ILE 45 -7.568 -5.560 -3.202 333 HB ILE 45 HB ILE 45 -6.496 -7.642 -5.025 334 HG12 ILE 45 2HG1 ILE 45 -6.459 -5.802 -6.574 335 HG13 ILE 45 1HG1 ILE 45 -7.557 -4.858 -5.568 336 HG21 ILE 45 1HG2 ILE 45 -8.773 -8.317 -5.196 337 HG22 ILE 45 2HG2 ILE 45 -8.502 -7.233 -6.559 338 HG23 ILE 45 3HG2 ILE 45 -9.350 -6.652 -5.128 339 HD11 ILE 45 1HD1 ILE 45 -5.910 -4.267 -4.081 340 HD12 ILE 45 2HD1 ILE 45 -4.893 -4.508 -5.501 341 HD13 ILE 45 3HD1 ILE 45 -5.032 -5.781 -4.291 342 H ALA 46 H ALA 46 -7.600 -9.123 -2.980 343 HA ALA 46 HA ALA 46 -10.457 -9.345 -2.813 344 HB1 ALA 46 1HB ALA 46 -9.793 -11.604 -1.687 345 HB2 ALA 46 2HB ALA 46 -8.145 -11.133 -2.106 346 HB3 ALA 46 3HB ALA 46 -9.355 -11.336 -3.374 347 H TRP 47 H TRP 47 -7.930 -9.234 -0.294 348 HA TRP 47 HA TRP 47 -9.841 -9.459 1.874 349 HB2 TRP 47 2HB TRP 47 -7.746 -10.189 2.515 350 HB3 TRP 47 1HB TRP 47 -6.917 -8.906 1.636 351 HD1 TRP 47 HD TRP 47 -9.700 -8.596 4.316 352 HE1 TRP 47 1HE TRP 47 -8.808 -7.060 6.191 353 HE3 TRP 47 3HE TRP 47 -4.984 -7.818 2.610 354 HZ2 TRP 47 2HZ TRP 47 -6.381 -5.681 6.869 355 HZ3 TRP 47 3HZ TRP 47 -3.386 -6.398 3.872 356 HH2 TRP 47 HH TRP 47 -4.082 -5.329 5.996 357 H LEU 48 H LEU 48 -8.094 -6.757 0.376 358 HA LEU 48 HA LEU 48 -8.926 -4.726 2.162 359 HB2 LEU 48 2HB LEU 48 -7.209 -4.476 0.347 360 HB3 LEU 48 1HB LEU 48 -8.514 -4.455 -0.827 361 HG LEU 48 HG LEU 48 -9.471 -2.538 0.670 362 HD11 LEU 48 1HD1 LEU 48 -6.654 -1.839 1.199 363 HD12 LEU 48 2HD1 LEU 48 -7.290 -3.154 2.182 364 HD13 LEU 48 3HD1 LEU 48 -8.083 -1.580 2.198 365 HD21 LEU 48 1HD2 LEU 48 -7.379 -2.564 -1.428 366 HD22 LEU 48 2HD2 LEU 48 -7.560 -1.041 -0.557 367 HD23 LEU 48 3HD2 LEU 48 -8.938 -1.740 -1.408 368 H GLU 49 H GLU 49 -10.537 -6.074 -0.711 369 HA GLU 49 HA GLU 49 -12.720 -4.232 -0.771 370 HB2 GLU 49 2HB GLU 49 -12.471 -5.606 -2.678 371 HB3 GLU 49 1HB GLU 49 -12.386 -7.078 -1.713 372 HG2 GLU 49 2HG GLU 49 -14.872 -5.482 -1.427 373 HG3 GLU 49 1HG GLU 49 -14.635 -6.269 -2.982 374 H ASP 50 H ASP 50 -12.297 -7.330 0.936 375 HA ASP 50 HA ASP 50 -14.936 -7.418 2.036 376 HB2 ASP 50 2HB ASP 50 -13.301 -9.327 1.961 377 HB3 ASP 50 1HB ASP 50 -12.421 -8.541 3.269 378 H ARG 51 H ARG 51 -11.897 -6.083 3.312 379 HA ARG 51 HA ARG 51 -12.964 -5.347 5.862 380 HB2 ARG 51 2HB ARG 51 -10.535 -5.517 5.351 381 HB3 ARG 51 1HB ARG 51 -10.666 -4.051 4.378 382 HG2 ARG 51 2HG ARG 51 -11.442 -2.796 6.344 383 HG3 ARG 51 1HG ARG 51 -11.352 -4.259 7.324 384 HD2 ARG 51 2HD ARG 51 -8.918 -4.404 6.832 385 HD3 ARG 51 1HD ARG 51 -9.029 -2.885 5.942 386 HE ARG 51 HE ARG 51 -10.027 -2.117 8.328 387 HH11 ARG 51 1HH1 ARG 51 -8.847 -1.558 10.169 388 HH12 ARG 51 2HH1 ARG 51 -7.280 -2.250 10.421 389 HH21 ARG 51 1HH2 ARG 51 -7.339 -4.122 7.506 390 HH22 ARG 51 2HH2 ARG 51 -6.427 -3.699 8.915 391 H PHE 52 H PHE 52 -12.608 -3.412 2.854 392 HA PHE 52 HA PHE 52 -14.181 -1.266 4.195 393 HB2 PHE 52 2HB PHE 52 -12.440 -1.250 1.721 394 HB3 PHE 52 1HB PHE 52 -13.389 0.126 2.267 395 HD1 PHE 52 1HD PHE 52 -10.396 -1.869 2.813 396 HD2 PHE 52 2HD PHE 52 -12.920 1.174 4.494 397 HE1 PHE 52 1HE PHE 52 -8.595 -1.253 4.404 398 HE2 PHE 52 2HE PHE 52 -11.120 1.789 6.084 399 HZ PHE 52 HZ PHE 52 -8.958 0.576 6.039 400 H GLY 53 H GLY 53 -14.666 -3.847 2.094 401 HA2 GLY 53 2HA GLY 53 -16.569 -4.409 0.817 402 HA3 GLY 53 1HA GLY 53 -17.339 -2.950 1.446 403 H ILE 54 H ILE 54 -14.253 -2.930 -0.250 404 HA ILE 54 HA ILE 54 -15.488 -1.176 -2.305 405 HB ILE 54 HB ILE 54 -12.572 -1.791 -1.740 406 HG12 ILE 54 2HG1 ILE 54 -14.153 0.710 -1.091 407 HG13 ILE 54 1HG1 ILE 54 -13.877 -0.582 0.076 408 HG21 ILE 54 1HG2 ILE 54 -12.693 0.625 -3.030 409 HG22 ILE 54 2HG2 ILE 54 -14.000 -0.258 -3.820 410 HG23 ILE 54 3HG2 ILE 54 -12.361 -0.912 -3.829 411 HD11 ILE 54 1HD1 ILE 54 -11.685 0.917 -1.385 412 HD12 ILE 54 2HD1 ILE 54 -11.460 -0.306 -0.136 413 HD13 ILE 54 3HD1 ILE 54 -12.194 1.245 0.272 414 H ALA 55 H ALA 55 -15.394 -1.682 -4.518 415 HA ALA 55 HA ALA 55 -15.477 -4.436 -5.238 416 HB1 ALA 55 1HB ALA 55 -14.987 -2.024 -7.013 417 HB2 ALA 55 2HB ALA 55 -16.569 -2.667 -6.570 418 HB3 ALA 55 3HB ALA 55 -15.476 -3.624 -7.571 419 H ALA 56 H ALA 56 -13.946 -5.768 -6.237 420 HA ALA 56 HA ALA 56 -11.215 -5.396 -5.515 421 HB1 ALA 56 1HB ALA 56 -10.770 -7.383 -6.824 422 HB2 ALA 56 2HB ALA 56 -12.269 -7.176 -7.729 423 HB3 ALA 56 3HB ALA 56 -12.324 -7.602 -6.019 424 H ASP 57 H ASP 57 -13.017 -4.472 -8.383 425 HA ASP 57 HA ASP 57 -12.345 -3.287 -10.295 426 HB2 ASP 57 2HB ASP 57 -10.219 -2.361 -8.353 427 HB3 ASP 57 1HB ASP 57 -10.519 -1.626 -9.925 428 H ASP 58 H ASP 58 -11.611 -5.890 -10.446 429 HA ASP 58 HA ASP 58 -9.004 -6.729 -10.612 430 HB2 ASP 58 2HB ASP 58 -10.974 -8.087 -11.292 431 HB3 ASP 58 1HB ASP 58 -11.049 -7.169 -12.794 432 H VAL 59 H VAL 59 -7.550 -5.040 -11.085 433 HA VAL 59 HA VAL 59 -7.418 -4.315 -13.977 434 HB VAL 59 HB VAL 59 -8.329 -2.398 -12.644 435 HG11 VAL 59 1HG1 VAL 59 -5.599 -2.349 -11.337 436 HG12 VAL 59 2HG1 VAL 59 -7.015 -3.061 -10.563 437 HG13 VAL 59 3HG1 VAL 59 -6.995 -1.342 -10.956 438 HG21 VAL 59 1HG2 VAL 59 -7.040 -1.943 -14.670 439 HG22 VAL 59 2HG2 VAL 59 -5.528 -2.076 -13.770 440 HG23 VAL 59 3HG2 VAL 59 -6.634 -0.742 -13.444 441 H GLU 60 H GLU 60 -5.280 -4.240 -14.790 442 HA GLU 60 HA GLU 60 -3.278 -5.521 -13.038 443 HB2 GLU 60 2HB GLU 60 -3.596 -6.320 -15.372 444 HB3 GLU 60 1HB GLU 60 -3.066 -4.747 -15.958 445 HG2 GLU 60 2HG GLU 60 -0.920 -5.047 -14.782 446 HG3 GLU 60 1HG GLU 60 -1.446 -6.638 -14.249 447 H LEU 61 H LEU 61 -1.575 -4.456 -12.151 448 HA LEU 61 HA LEU 61 -1.250 -1.576 -12.849 449 HB2 LEU 61 2HB LEU 61 -0.378 -2.995 -10.319 450 HB3 LEU 61 1HB LEU 61 -0.410 -1.256 -10.602 451 HG LEU 61 HG LEU 61 -2.778 -3.120 -10.426 452 HD11 LEU 61 1HD1 LEU 61 -1.953 -2.451 -8.259 453 HD12 LEU 61 2HD1 LEU 61 -3.406 -1.507 -8.592 454 HD13 LEU 61 3HD1 LEU 61 -1.814 -0.771 -8.777 455 HD21 LEU 61 1HD2 LEU 61 -3.424 -1.640 -12.131 456 HD22 LEU 61 2HD2 LEU 61 -2.517 -0.296 -11.435 457 HD23 LEU 61 3HD2 LEU 61 -4.016 -0.834 -10.677 458 H SER 62 H SER 62 0.793 -0.831 -13.426 459 HA SER 62 HA SER 62 2.750 -2.887 -14.175 460 HB2 SER 62 2HB SER 62 3.108 -1.378 -15.811 461 HB3 SER 62 1HB SER 62 2.126 -0.179 -14.974 462 HG SER 62 HG SER 62 4.886 -0.746 -14.676 463 HA PRO 63 HA PRO 63 5.459 -2.591 -10.724 464 HB2 PRO 63 2HB PRO 63 7.921 -2.311 -11.999 465 HB3 PRO 63 1HB PRO 63 7.086 -3.848 -11.715 466 HG2 PRO 63 2HG PRO 63 7.234 -2.199 -14.176 467 HG3 PRO 63 1HG PRO 63 7.178 -3.960 -13.992 468 HD2 PRO 63 2HD PRO 63 5.011 -2.517 -14.773 469 HD3 PRO 63 1HD PRO 63 4.865 -4.006 -13.812 470 H GLU 64 H GLU 64 5.734 -0.107 -13.194 471 HA GLU 64 HA GLU 64 7.414 1.714 -11.772 472 HB2 GLU 64 2HB GLU 64 5.264 2.236 -13.828 473 HB3 GLU 64 1HB GLU 64 6.428 3.435 -13.282 474 HG2 GLU 64 2HG GLU 64 8.264 1.950 -14.030 475 HG3 GLU 64 1HG GLU 64 7.068 0.814 -14.642 476 H HIS 65 H HIS 65 3.989 1.007 -11.572 477 HA HIS 65 HA HIS 65 3.211 3.373 -10.135 478 HB2 HIS 65 2HB HIS 65 1.571 1.899 -11.228 479 HB3 HIS 65 1HB HIS 65 1.991 0.596 -10.116 480 HD1 HIS 65 1HD HIS 65 1.048 4.280 -9.658 481 HD2 HIS 65 2HD HIS 65 0.132 0.524 -8.091 482 HE1 HIS 65 1HE HIS 65 -0.657 4.663 -7.822 483 HE2 HIS 65 2HE HIS 65 -1.225 2.384 -6.867 484 H PHE 66 H PHE 66 4.762 0.395 -9.172 485 HA PHE 66 HA PHE 66 4.315 0.983 -6.302 486 HB2 PHE 66 2HB PHE 66 5.804 -1.295 -7.644 487 HB3 PHE 66 1HB PHE 66 5.428 -1.180 -5.924 488 HD1 PHE 66 1HD PHE 66 3.187 -1.586 -5.091 489 HD2 PHE 66 2HD PHE 66 4.005 -1.577 -9.307 490 HE1 PHE 66 1HE PHE 66 0.949 -2.562 -5.530 491 HE2 PHE 66 2HE PHE 66 1.775 -2.558 -9.745 492 HZ PHE 66 HZ PHE 66 0.243 -3.049 -7.860 493 H ARG 67 H ARG 67 6.296 2.225 -8.529 494 HA ARG 67 HA ARG 67 8.936 1.895 -7.604 495 HB2 ARG 67 2HB ARG 67 8.275 3.151 -9.665 496 HB3 ARG 67 1HB ARG 67 7.697 4.463 -8.645 497 HG2 ARG 67 2HG ARG 67 9.864 5.164 -9.198 498 HG3 ARG 67 1HG ARG 67 10.102 4.398 -7.631 499 HD2 ARG 67 2HD ARG 67 10.808 2.312 -8.746 500 HD3 ARG 67 1HD ARG 67 10.552 3.067 -10.318 501 HE ARG 67 HE ARG 67 12.828 3.518 -8.546 502 HH11 ARG 67 1HH1 ARG 67 14.403 4.931 -9.342 503 HH12 ARG 67 2HH1 ARG 67 14.034 5.941 -10.700 504 HH21 ARG 67 1HH2 ARG 67 10.794 4.753 -11.041 505 HH22 ARG 67 2HH2 ARG 67 11.991 5.840 -11.662 506 H SER 68 H SER 68 6.377 4.055 -6.401 507 HA SER 68 HA SER 68 8.006 4.403 -3.931 508 HB2 SER 68 2HB SER 68 7.547 6.786 -3.868 509 HB3 SER 68 1HB SER 68 8.298 6.404 -5.414 510 HG SER 68 HG SER 68 5.841 7.412 -4.876 511 H ILE 69 H ILE 69 6.734 4.777 -2.039 512 HA ILE 69 HA ILE 69 4.192 3.489 -1.980 513 HB ILE 69 HB ILE 69 5.411 5.422 0.012 514 HG12 ILE 69 2HG1 ILE 69 5.484 2.404 -0.028 515 HG13 ILE 69 1HG1 ILE 69 6.806 3.417 -0.587 516 HG21 ILE 69 1HG2 ILE 69 2.937 3.880 -0.081 517 HG22 ILE 69 2HG2 ILE 69 3.406 5.185 1.009 518 HG23 ILE 69 3HG2 ILE 69 3.912 3.529 1.344 519 HD11 ILE 69 1HD1 ILE 69 5.756 4.109 2.084 520 HD12 ILE 69 2HD1 ILE 69 7.425 4.005 1.524 521 HD13 ILE 69 3HD1 ILE 69 6.556 2.540 1.981 522 H ARG 70 H ARG 70 5.130 6.901 -2.180 523 HA ARG 70 HA ARG 70 2.562 8.038 -1.723 524 HB2 ARG 70 2HB ARG 70 4.854 9.036 -3.438 525 HB3 ARG 70 1HB ARG 70 3.458 10.007 -2.970 526 HG2 ARG 70 2HG ARG 70 4.016 9.567 -0.571 527 HG3 ARG 70 1HG ARG 70 5.481 8.740 -1.102 528 HD2 ARG 70 2HD ARG 70 4.772 11.639 -1.635 529 HD3 ARG 70 1HD ARG 70 6.014 11.058 -0.528 530 HE ARG 70 HE ARG 70 6.811 9.945 -2.887 531 HH11 ARG 70 1HH1 ARG 70 8.070 10.989 -4.448 532 HH12 ARG 70 2HH1 ARG 70 8.022 12.717 -4.565 533 HH21 ARG 70 1HH2 ARG 70 5.750 13.095 -1.974 534 HH22 ARG 70 2HH2 ARG 70 6.709 13.909 -3.164 535 H SER 71 H SER 71 4.036 6.769 -4.702 536 HA SER 71 HA SER 71 2.104 7.740 -6.534 537 HB2 SER 71 2HB SER 71 3.521 5.063 -6.639 538 HB3 SER 71 1HB SER 71 2.835 5.944 -7.998 539 HG SER 71 HG SER 71 4.692 6.904 -8.109 540 H ILE 72 H ILE 72 2.130 4.747 -4.594 541 HA ILE 72 HA ILE 72 -0.362 3.746 -5.593 542 HB ILE 72 HB ILE 72 1.008 3.257 -2.931 543 HG12 ILE 72 2HG1 ILE 72 1.108 1.668 -5.516 544 HG13 ILE 72 1HG1 ILE 72 2.388 2.745 -4.959 545 HG21 ILE 72 1HG2 ILE 72 -1.330 2.572 -2.902 546 HG22 ILE 72 2HG2 ILE 72 -0.302 1.142 -2.992 547 HG23 ILE 72 3HG2 ILE 72 -1.129 1.727 -4.435 548 HD11 ILE 72 1HD1 ILE 72 1.421 0.184 -3.686 549 HD12 ILE 72 2HD1 ILE 72 2.368 1.367 -2.785 550 HD13 ILE 72 3HD1 ILE 72 3.053 0.592 -4.213 551 H ASP 73 H ASP 73 0.513 5.831 -2.867 552 HA ASP 73 HA ASP 73 -1.999 5.927 -1.575 553 HB2 ASP 73 2HB ASP 73 0.126 8.069 -1.865 554 HB3 ASP 73 1HB ASP 73 -1.218 8.143 -0.730 555 H ALA 74 H ALA 74 -0.763 7.775 -4.346 556 HA ALA 74 HA ALA 74 -2.959 9.599 -4.521 557 HB1 ALA 74 1HB ALA 74 -2.225 9.800 -6.946 558 HB2 ALA 74 2HB ALA 74 -1.026 8.554 -6.600 559 HB3 ALA 74 3HB ALA 74 -0.962 10.100 -5.752 560 H PHE 75 H PHE 75 -2.415 6.405 -5.995 561 HA PHE 75 HA PHE 75 -4.778 6.390 -7.599 562 HB2 PHE 75 2HB PHE 75 -2.926 4.745 -7.826 563 HB3 PHE 75 1HB PHE 75 -3.419 4.024 -6.296 564 HD1 PHE 75 1HD PHE 75 -4.435 4.658 -9.801 565 HD2 PHE 75 2HD PHE 75 -5.380 2.635 -6.131 566 HE1 PHE 75 1HE PHE 75 -6.139 3.304 -10.987 567 HE2 PHE 75 2HE PHE 75 -7.085 1.280 -7.318 568 HZ PHE 75 HZ PHE 75 -7.464 1.615 -9.746 569 H VAL 76 H VAL 76 -4.209 5.202 -4.282 570 HA VAL 76 HA VAL 76 -6.853 4.230 -3.853 571 HB VAL 76 HB VAL 76 -4.737 5.254 -1.947 572 HG11 VAL 76 1HG1 VAL 76 -6.620 5.467 -0.620 573 HG12 VAL 76 2HG1 VAL 76 -6.243 3.764 -0.358 574 HG13 VAL 76 3HG1 VAL 76 -7.507 4.224 -1.499 575 HG21 VAL 76 1HG2 VAL 76 -4.986 2.890 -3.458 576 HG22 VAL 76 2HG2 VAL 76 -5.449 2.445 -1.817 577 HG23 VAL 76 3HG2 VAL 76 -3.873 3.176 -2.119 578 H VAL 77 H VAL 77 -5.379 7.415 -3.207 579 HA VAL 77 HA VAL 77 -7.665 8.573 -1.953 580 HB VAL 77 HB VAL 77 -5.378 9.787 -3.521 581 HG11 VAL 77 1HG1 VAL 77 -6.760 11.590 -3.622 582 HG12 VAL 77 2HG1 VAL 77 -6.318 11.781 -1.925 583 HG13 VAL 77 3HG1 VAL 77 -7.823 10.970 -2.359 584 HG21 VAL 77 1HG2 VAL 77 -5.437 10.456 -0.741 585 HG22 VAL 77 2HG2 VAL 77 -4.239 9.485 -1.599 586 HG23 VAL 77 3HG2 VAL 77 -5.651 8.711 -0.880 587 H GLY 78 H GLY 78 -6.640 8.418 -5.351 588 HA2 GLY 78 2HA GLY 78 -8.607 10.132 -6.448 589 HA3 GLY 78 1HA GLY 78 -7.854 8.797 -7.320 590 H ALA 79 H ALA 79 -8.827 6.715 -5.515 591 HA ALA 79 HA ALA 79 -11.626 6.660 -6.499 592 HB1 ALA 79 1HB ALA 79 -10.065 4.380 -5.272 593 HB2 ALA 79 2HB ALA 79 -10.000 4.771 -6.991 594 HB3 ALA 79 3HB ALA 79 -11.527 4.278 -6.255 595 H THR 80 H THR 80 -9.795 5.988 -3.512 596 HA THR 80 HA THR 80 -12.270 6.671 -1.985 597 HB THR 80 HB THR 80 -10.321 4.474 -1.268 598 HG1 THR 80 1HG THR 80 -12.072 3.118 -1.842 599 HG21 THR 80 1HG2 THR 80 -12.200 3.890 0.337 600 HG22 THR 80 2HG2 THR 80 -12.912 5.454 -0.061 601 HG23 THR 80 3HG2 THR 80 -11.327 5.378 0.709 602 H THR 81 H THR 81 -11.907 8.106 -0.322 603 HA THR 81 HA THR 81 -9.065 8.600 0.460 604 HB THR 81 HB THR 81 -9.558 10.477 -0.866 605 HG1 THR 81 1HG THR 81 -10.242 12.096 0.852 606 HG21 THR 81 1HG2 THR 81 -11.897 10.059 -1.296 607 HG22 THR 81 2HG2 THR 81 -11.754 11.693 -0.647 608 HG23 THR 81 3HG2 THR 81 -12.313 10.378 0.387 609 HA PRO 82 HA PRO 82 -11.548 7.737 4.258 610 HB2 PRO 82 2HB PRO 82 -9.072 6.586 5.290 611 HB3 PRO 82 1HB PRO 82 -10.635 5.798 5.022 612 HG2 PRO 82 2HG PRO 82 -8.402 5.293 3.554 613 HG3 PRO 82 1HG PRO 82 -10.055 5.072 2.957 614 HD2 PRO 82 2HD PRO 82 -8.118 7.276 2.372 615 HD3 PRO 82 1HD PRO 82 -9.356 6.545 1.325 616 HA PRO 83 HA PRO 83 -10.059 10.861 7.032 617 HB2 PRO 83 2HB PRO 83 -9.292 8.944 9.160 618 HB3 PRO 83 1HB PRO 83 -10.471 10.266 9.207 619 HG2 PRO 83 2HG PRO 83 -11.211 7.693 9.140 620 HG3 PRO 83 1HG PRO 83 -12.157 8.976 8.368 621 HD2 PRO 83 2HD PRO 83 -10.391 6.923 7.108 622 HD3 PRO 83 1HD PRO 83 -11.874 7.676 6.485 623 H VAL 84 H VAL 84 -8.100 11.905 7.711 624 HA VAL 84 HA VAL 84 -5.649 10.524 6.784 625 HB VAL 84 HB VAL 84 -6.027 13.394 7.687 626 HG11 VAL 84 1HG1 VAL 84 -3.830 12.070 6.067 627 HG12 VAL 84 2HG1 VAL 84 -3.696 12.523 7.766 628 HG13 VAL 84 3HG1 VAL 84 -3.899 13.769 6.534 629 HG21 VAL 84 1HG2 VAL 84 -7.272 13.457 5.764 630 HG22 VAL 84 2HG2 VAL 84 -6.551 11.978 5.129 631 HG23 VAL 84 3HG2 VAL 84 -5.684 13.509 4.998 632 H GLU 85 H GLU 85 -4.146 9.747 8.181 633 HA GLU 85 HA GLU 85 -4.191 10.702 11.000 634 HB2 GLU 85 2HB GLU 85 -4.018 7.808 10.107 635 HB3 GLU 85 1HB GLU 85 -3.867 8.373 11.771 636 HG2 GLU 85 2HG GLU 85 -6.153 9.344 11.621 637 HG3 GLU 85 1HG GLU 85 -6.303 8.685 9.991 638 H ALA 86 H ALA 86 -2.109 10.248 12.124 639 HA ALA 86 HA ALA 86 0.148 10.342 10.177 640 HB1 ALA 86 1HB ALA 86 0.992 10.888 12.857 641 HB2 ALA 86 2HB ALA 86 -0.471 11.819 12.540 642 HB3 ALA 86 3HB ALA 86 0.933 11.995 11.487 643 H LYS 87 H LYS 87 1.892 8.889 10.381 644 HA LYS 87 HA LYS 87 1.343 6.290 11.379 645 HB2 LYS 87 2HB LYS 87 4.008 7.630 10.827 646 HB3 LYS 87 1HB LYS 87 3.806 5.903 11.131 647 HG2 LYS 87 2HG LYS 87 2.211 5.811 9.196 648 HG3 LYS 87 1HG LYS 87 2.606 7.494 8.849 649 HD2 LYS 87 2HD LYS 87 4.999 6.866 8.621 650 HD3 LYS 87 1HD LYS 87 4.563 5.178 8.894 651 HE2 LYS 87 2HE LYS 87 4.567 5.274 6.564 652 HE3 LYS 87 1HE LYS 87 2.872 5.598 6.920 653 HZ1 LYS 87 1HZ LYS 87 4.124 8.038 7.057 654 HZ2 LYS 87 2HZ LYS 87 3.122 7.480 5.804 655 HZ3 LYS 87 3HZ LYS 87 4.806 7.286 5.699 656 H LEU 88 H LEU 88 2.870 9.079 12.912 657 HA LEU 88 HA LEU 88 3.395 7.464 15.350 658 HB2 LEU 88 2HB LEU 88 5.161 9.022 14.488 659 HB3 LEU 88 1HB LEU 88 4.063 10.368 14.786 660 HG LEU 88 HG LEU 88 3.924 9.619 17.193 661 HD11 LEU 88 1HD1 LEU 88 5.558 7.469 16.088 662 HD12 LEU 88 2HD1 LEU 88 4.720 7.554 17.636 663 HD13 LEU 88 3HD1 LEU 88 6.336 8.239 17.470 664 HD21 LEU 88 1HD2 LEU 88 6.352 10.679 15.828 665 HD22 LEU 88 2HD2 LEU 88 6.522 10.232 17.526 666 HD23 LEU 88 3HD2 LEU 88 5.328 11.437 17.046 667 H GLN 89 H GLN 89 2.050 7.586 17.092 668 HA GLN 89 HA GLN 89 0.065 8.125 18.251 669 HB2 GLN 89 2HB GLN 89 1.697 9.869 18.997 670 HB3 GLN 89 1HB GLN 89 1.104 10.924 17.714 671 HG2 GLN 89 2HG GLN 89 -1.159 10.848 18.674 672 HG3 GLN 89 1HG GLN 89 -0.592 9.765 19.945 673 HE21 GLN 89 1HE2 GLN 89 -1.687 12.123 20.841 674 HE22 GLN 89 2HE2 GLN 89 -0.478 13.189 21.376 675 H1 PN7 101 3HO SAT 101 2.161 -9.081 -12.905 676 H2 PN7 101 1H1 SAT 101 4.974 -7.975 -11.847 677 H3 PN7 101 2H1 SAT 101 4.591 -7.458 -10.204 678 H5 PN7 101 1HE1 SAT 101 3.611 -5.074 -10.618 679 H6 PN7 101 2HE1 SAT 101 3.116 -4.829 -12.293 680 H7 PN7 101 3HE1 SAT 101 4.721 -5.462 -11.932 681 H8 PN7 101 2HE2 SAT 101 1.186 -7.685 -11.252 682 H9 PN7 101 3HE2 SAT 101 1.388 -5.995 -10.789 683 H10 PN7 101 1HE2 SAT 101 2.122 -7.271 -9.816 684 H11 PN7 101 3H SAT 101 1.785 -6.956 -13.338 685 H12 PN7 101 5H SAT 101 3.166 -4.655 -14.250 686 H13 PN7 101 1H6 SAT 101 2.947 -6.590 -16.495 687 H14 PN7 101 2H6 SAT 101 2.330 -4.938 -16.504 688 H15 PN7 101 1H7 SAT 101 5.122 -4.727 -16.112 689 H16 PN7 101 2H7 SAT 101 4.213 -4.299 -17.562 690 H17 PN7 101 9H SAT 101 4.868 -7.753 -16.327 691 H18 PN7 101 1H10 SAT 101 7.004 -8.321 -17.955 692 H19 PN7 101 2H10 SAT 101 7.574 -6.917 -17.054 693 H20 PN7 101 1H11 SAT 101 6.602 -8.417 -15.015 694 H21 PN7 101 2H11 SAT 101 8.275 -8.512 -15.568 695 H22 PN7 101 2HS1 SAT 101 7.610 -10.606 -17.017 Start of MODEL 7 1 H1 MET 1 1HT MET 1 0.661 13.228 -1.793 2 H2 MET 1 2HT MET 1 1.163 14.287 -0.563 3 H3 MET 1 3HT MET 1 -0.485 13.919 -0.751 4 HA MET 1 HA MET 1 0.638 11.471 -0.454 5 HB2 MET 1 2HB MET 1 2.051 13.525 1.258 6 HB3 MET 1 1HB MET 1 1.965 11.818 1.697 7 HG2 MET 1 2HG MET 1 2.974 11.226 -0.492 8 HG3 MET 1 1HG MET 1 3.123 12.943 -0.866 9 HE1 MET 1 1HE MET 1 3.988 9.992 1.137 10 HE2 MET 1 2HE MET 1 3.844 10.913 2.632 11 HE3 MET 1 3HE MET 1 5.430 10.371 2.089 12 H GLN 2 H GLN 2 -1.831 11.954 -0.335 13 HA GLN 2 HA GLN 2 -2.760 12.786 2.333 14 HB2 GLN 2 2HB GLN 2 -4.259 11.688 -0.069 15 HB3 GLN 2 1HB GLN 2 -5.018 12.282 1.409 16 HG2 GLN 2 2HG GLN 2 -4.023 14.501 1.048 17 HG3 GLN 2 1HG GLN 2 -3.230 13.914 -0.414 18 HE21 GLN 2 1HE2 GLN 2 -5.086 16.080 -0.542 19 HE22 GLN 2 2HE2 GLN 2 -6.470 15.558 -1.376 20 H HIS 3 H HIS 3 -2.988 11.352 3.994 21 HA HIS 3 HA HIS 3 -3.026 9.295 5.133 22 HB2 HIS 3 2HB HIS 3 -4.241 7.843 2.858 23 HB3 HIS 3 1HB HIS 3 -4.792 7.977 4.526 24 HD1 HIS 3 1HD HIS 3 -6.011 10.303 5.159 25 HD2 HIS 3 2HD HIS 3 -5.527 9.560 1.083 26 HE1 HIS 3 1HE HIS 3 -7.583 11.883 3.948 27 HE2 HIS 3 2HE HIS 3 -7.294 11.438 1.469 28 H ALA 4 H ALA 4 -0.920 9.976 2.982 29 HA ALA 4 HA ALA 4 -0.073 7.575 1.707 30 HB1 ALA 4 1HB ALA 4 0.762 9.923 1.248 31 HB2 ALA 4 2HB ALA 4 2.020 8.691 1.344 32 HB3 ALA 4 3HB ALA 4 1.744 9.777 2.705 33 H SER 5 H SER 5 0.689 8.899 4.925 34 HA SER 5 HA SER 5 2.677 6.953 5.589 35 HB2 SER 5 2HB SER 5 2.367 7.669 7.883 36 HB3 SER 5 1HB SER 5 2.245 9.088 6.846 37 HG SER 5 HG SER 5 0.308 7.771 8.341 38 H VAL 6 H VAL 6 -0.847 6.917 5.843 39 HA VAL 6 HA VAL 6 -1.021 4.528 7.431 40 HB VAL 6 HB VAL 6 -2.963 5.774 5.481 41 HG11 VAL 6 1HG1 VAL 6 -3.954 3.724 5.581 42 HG12 VAL 6 2HG1 VAL 6 -4.467 4.259 7.181 43 HG13 VAL 6 3HG1 VAL 6 -3.035 3.244 7.007 44 HG21 VAL 6 1HG2 VAL 6 -2.120 6.506 8.071 45 HG22 VAL 6 2HG2 VAL 6 -3.707 5.767 8.276 46 HG23 VAL 6 3HG2 VAL 6 -3.509 7.141 7.189 47 H ILE 7 H ILE 7 -0.928 5.122 3.948 48 HA ILE 7 HA ILE 7 -1.454 2.475 3.071 49 HB ILE 7 HB ILE 7 0.320 4.585 1.814 50 HG12 ILE 7 2HG1 ILE 7 -2.593 3.907 1.305 51 HG13 ILE 7 1HG1 ILE 7 -2.056 5.254 2.309 52 HG21 ILE 7 1HG2 ILE 7 -0.324 3.335 -0.301 53 HG22 ILE 7 2HG2 ILE 7 -0.944 2.051 0.738 54 HG23 ILE 7 3HG2 ILE 7 0.770 2.463 0.773 55 HD11 ILE 7 1HD1 ILE 7 -1.809 4.889 -0.658 56 HD12 ILE 7 2HD1 ILE 7 -0.621 5.878 0.190 57 HD13 ILE 7 3HD1 ILE 7 -2.331 6.307 0.252 58 H ALA 8 H ALA 8 1.634 4.040 3.920 59 HA ALA 8 HA ALA 8 3.294 1.820 3.218 60 HB1 ALA 8 1HB ALA 8 3.724 4.369 4.201 61 HB2 ALA 8 2HB ALA 8 4.970 3.143 3.972 62 HB3 ALA 8 3HB ALA 8 4.208 3.342 5.550 63 H GLN 9 H GLN 9 1.898 2.768 6.362 64 HA GLN 9 HA GLN 9 2.858 0.402 7.697 65 HB2 GLN 9 2HB GLN 9 1.955 1.309 9.586 66 HB3 GLN 9 1HB GLN 9 1.889 2.758 8.588 67 HG2 GLN 9 2HG GLN 9 -0.282 2.598 9.484 68 HG3 GLN 9 1HG GLN 9 -0.448 1.914 7.872 69 HE21 GLN 9 1HE2 GLN 9 -1.992 0.262 8.167 70 HE22 GLN 9 2HE2 GLN 9 -1.855 -0.975 9.320 71 H PHE 10 H PHE 10 -0.091 1.201 5.955 72 HA PHE 10 HA PHE 10 -1.610 -1.086 6.789 73 HB2 PHE 10 2HB PHE 10 -2.551 0.952 5.667 74 HB3 PHE 10 1HB PHE 10 -1.801 0.415 4.165 75 HD1 PHE 10 1HD PHE 10 -4.348 -0.401 6.729 76 HD2 PHE 10 2HD PHE 10 -2.709 -1.414 2.889 77 HE1 PHE 10 1HE PHE 10 -6.292 -1.876 6.289 78 HE2 PHE 10 2HE PHE 10 -4.654 -2.890 2.450 79 HZ PHE 10 HZ PHE 10 -6.446 -3.119 4.149 80 H VAL 11 H VAL 11 0.288 -0.512 3.810 81 HA VAL 11 HA VAL 11 -0.036 -3.237 2.898 82 HB VAL 11 HB VAL 11 1.538 -2.631 1.159 83 HG11 VAL 11 1HG1 VAL 11 0.484 -0.474 0.379 84 HG12 VAL 11 2HG1 VAL 11 -0.335 -0.385 1.940 85 HG13 VAL 11 3HG1 VAL 11 -0.673 -1.723 0.841 86 HG21 VAL 11 1HG2 VAL 11 2.443 -0.149 1.411 87 HG22 VAL 11 2HG2 VAL 11 3.319 -1.501 2.129 88 HG23 VAL 11 3HG2 VAL 11 2.270 -0.498 3.130 89 H VAL 12 H VAL 12 2.541 -1.486 4.612 90 HA VAL 12 HA VAL 12 4.454 -3.611 4.557 91 HB VAL 12 HB VAL 12 4.084 -1.375 6.555 92 HG11 VAL 12 1HG1 VAL 12 5.507 -2.788 7.706 93 HG12 VAL 12 2HG1 VAL 12 6.682 -1.920 6.722 94 HG13 VAL 12 3HG1 VAL 12 6.136 -3.524 6.234 95 HG21 VAL 12 1HG2 VAL 12 4.612 -1.051 3.959 96 HG22 VAL 12 2HG2 VAL 12 6.242 -1.471 4.487 97 HG23 VAL 12 3HG2 VAL 12 5.422 -0.075 5.184 98 H GLU 13 H GLU 13 1.855 -2.823 6.834 99 HA GLU 13 HA GLU 13 2.501 -4.661 8.879 100 HB2 GLU 13 2HB GLU 13 0.675 -2.967 9.015 101 HB3 GLU 13 1HB GLU 13 -0.274 -3.958 7.915 102 HG2 GLU 13 2HG GLU 13 -0.112 -5.850 9.522 103 HG3 GLU 13 1HG GLU 13 0.740 -4.785 10.637 104 H GLU 14 H GLU 14 1.057 -5.184 5.728 105 HA GLU 14 HA GLU 14 0.072 -7.835 6.212 106 HB2 GLU 14 2HB GLU 14 -0.519 -6.429 4.220 107 HB3 GLU 14 1HB GLU 14 1.113 -6.689 3.603 108 HG2 GLU 14 2HG GLU 14 0.709 -9.147 3.670 109 HG3 GLU 14 1HG GLU 14 -0.951 -8.832 4.175 110 H PHE 15 H PHE 15 3.247 -6.540 5.485 111 HA PHE 15 HA PHE 15 4.416 -9.196 6.047 112 HB2 PHE 15 2HB PHE 15 5.704 -9.304 4.028 113 HB3 PHE 15 1HB PHE 15 4.041 -8.990 3.533 114 HD1 PHE 15 1HD PHE 15 3.357 -6.501 3.219 115 HD2 PHE 15 2HD PHE 15 7.428 -7.864 3.334 116 HE1 PHE 15 1HE PHE 15 4.083 -4.428 2.071 117 HE2 PHE 15 2HE PHE 15 8.155 -5.789 2.187 118 HZ PHE 15 HZ PHE 15 6.482 -4.071 1.555 119 H LEU 16 H LEU 16 4.512 -7.034 7.747 120 HA LEU 16 HA LEU 16 6.882 -5.442 7.223 121 HB2 LEU 16 2HB LEU 16 6.384 -4.278 9.188 122 HB3 LEU 16 1HB LEU 16 4.806 -4.756 8.603 123 HG LEU 16 HG LEU 16 6.387 -6.238 10.725 124 HD11 LEU 16 1HD1 LEU 16 4.727 -5.339 12.279 125 HD12 LEU 16 2HD1 LEU 16 3.933 -4.480 10.960 126 HD13 LEU 16 3HD1 LEU 16 5.562 -4.020 11.458 127 HD21 LEU 16 1HD2 LEU 16 3.556 -6.573 9.667 128 HD22 LEU 16 2HD2 LEU 16 4.224 -7.438 11.050 129 HD23 LEU 16 3HD2 LEU 16 4.879 -7.713 9.440 130 HA PRO 17 HA PRO 17 9.698 -8.431 8.959 131 HB2 PRO 17 2HB PRO 17 11.902 -6.832 9.197 132 HB3 PRO 17 1HB PRO 17 11.330 -7.445 7.635 133 HG2 PRO 17 2HG PRO 17 10.953 -4.762 8.866 134 HG3 PRO 17 1HG PRO 17 11.298 -5.194 7.183 135 HD2 PRO 17 2HD PRO 17 8.797 -4.531 8.085 136 HD3 PRO 17 1HD PRO 17 9.088 -5.607 6.701 137 H ASP 18 H ASP 18 11.767 -7.535 10.808 138 HA ASP 18 HA ASP 18 10.160 -7.403 13.242 139 HB2 ASP 18 2HB ASP 18 13.144 -7.418 12.758 140 HB3 ASP 18 1HB ASP 18 12.410 -7.429 14.357 141 H VAL 19 H VAL 19 10.631 -5.123 11.117 142 HA VAL 19 HA VAL 19 11.391 -2.999 13.085 143 HB VAL 19 HB VAL 19 11.403 -2.868 10.059 144 HG11 VAL 19 1HG1 VAL 19 11.212 -0.662 10.863 145 HG12 VAL 19 2HG1 VAL 19 12.953 -0.874 10.681 146 HG13 VAL 19 3HG1 VAL 19 12.212 -0.993 12.276 147 HG21 VAL 19 1HG2 VAL 19 13.199 -4.193 11.802 148 HG22 VAL 19 2HG2 VAL 19 13.999 -2.698 11.318 149 HG23 VAL 19 3HG2 VAL 19 13.441 -3.836 10.092 150 H ALA 20 H ALA 20 9.890 -1.410 13.526 151 HA ALA 20 HA ALA 20 7.166 -1.789 12.599 152 HB1 ALA 20 1HB ALA 20 7.538 -0.959 14.849 153 HB2 ALA 20 2HB ALA 20 6.725 0.300 13.920 154 HB3 ALA 20 3HB ALA 20 8.459 0.412 14.230 155 HA PRO 21 HA PRO 21 7.382 0.584 8.804 156 HB2 PRO 21 2HB PRO 21 4.822 1.817 9.706 157 HB3 PRO 21 1HB PRO 21 5.210 1.021 8.170 158 HG2 PRO 21 2HG PRO 21 3.730 -0.151 10.082 159 HG3 PRO 21 1HG PRO 21 4.779 -1.056 8.982 160 HD2 PRO 21 2HD PRO 21 5.128 -0.525 11.871 161 HD3 PRO 21 1HD PRO 21 5.823 -1.807 10.855 162 H ALA 22 H ALA 22 6.522 2.176 11.840 163 HA ALA 22 HA ALA 22 7.039 4.871 10.974 164 HB1 ALA 22 1HB ALA 22 5.798 4.708 12.967 165 HB2 ALA 22 2HB ALA 22 7.397 5.183 13.539 166 HB3 ALA 22 3HB ALA 22 6.886 3.498 13.651 167 H ASP 23 H ASP 23 9.076 2.225 11.792 168 HA ASP 23 HA ASP 23 11.417 3.991 12.250 169 HB2 ASP 23 2HB ASP 23 11.073 0.984 12.446 170 HB3 ASP 23 1HB ASP 23 12.597 1.825 12.727 171 H VAL 24 H VAL 24 9.792 2.763 9.686 172 HA VAL 24 HA VAL 24 12.264 2.272 8.085 173 HB VAL 24 HB VAL 24 9.377 1.670 7.365 174 HG11 VAL 24 1HG1 VAL 24 11.402 0.095 6.040 175 HG12 VAL 24 2HG1 VAL 24 11.738 1.813 5.814 176 HG13 VAL 24 3HG1 VAL 24 10.178 1.147 5.328 177 HG21 VAL 24 1HG2 VAL 24 10.186 -0.733 7.756 178 HG22 VAL 24 2HG2 VAL 24 9.917 0.243 9.201 179 HG23 VAL 24 3HG2 VAL 24 11.557 -0.021 8.608 180 H ASP 25 H ASP 25 12.786 3.747 6.501 181 HA ASP 25 HA ASP 25 11.383 6.272 6.452 182 HB2 ASP 25 2HB ASP 25 13.528 5.143 4.630 183 HB3 ASP 25 1HB ASP 25 12.958 6.812 4.586 184 H VAL 26 H VAL 26 9.280 6.079 5.703 185 HA VAL 26 HA VAL 26 8.416 4.403 3.568 186 HB VAL 26 HB VAL 26 6.408 5.779 3.519 187 HG11 VAL 26 1HG1 VAL 26 5.775 5.008 5.545 188 HG12 VAL 26 2HG1 VAL 26 6.887 6.093 6.380 189 HG13 VAL 26 3HG1 VAL 26 7.456 4.532 5.787 190 HG21 VAL 26 1HG2 VAL 26 7.120 8.009 3.479 191 HG22 VAL 26 2HG2 VAL 26 8.250 7.775 4.814 192 HG23 VAL 26 3HG2 VAL 26 6.517 7.856 5.129 193 H ASP 27 H ASP 27 10.702 6.702 3.280 194 HA ASP 27 HA ASP 27 9.747 7.849 0.731 195 HB2 ASP 27 2HB ASP 27 11.785 9.190 0.826 196 HB3 ASP 27 1HB ASP 27 10.962 9.276 2.379 197 H LEU 28 H LEU 28 10.838 4.959 1.544 198 HA LEU 28 HA LEU 28 12.918 4.669 -0.548 199 HB2 LEU 28 2HB LEU 28 13.179 3.570 1.690 200 HB3 LEU 28 1HB LEU 28 11.763 2.588 1.330 201 HG LEU 28 HG LEU 28 13.111 2.026 -0.881 202 HD11 LEU 28 1HD1 LEU 28 15.290 2.759 1.095 203 HD12 LEU 28 2HD1 LEU 28 14.942 3.604 -0.413 204 HD13 LEU 28 3HD1 LEU 28 15.539 1.945 -0.449 205 HD21 LEU 28 1HD2 LEU 28 14.291 0.176 0.503 206 HD22 LEU 28 2HD2 LEU 28 12.529 0.253 0.567 207 HD23 LEU 28 3HD2 LEU 28 13.491 0.906 1.894 208 H ASP 29 H ASP 29 12.517 3.663 -2.496 209 HA ASP 29 HA ASP 29 9.812 3.335 -3.375 210 HB2 ASP 29 2HB ASP 29 12.413 2.258 -4.512 211 HB3 ASP 29 1HB ASP 29 10.860 2.169 -5.343 212 H LEU 30 H LEU 30 8.458 1.695 -2.836 213 HA LEU 30 HA LEU 30 9.410 -0.592 -1.350 214 HB2 LEU 30 2HB LEU 30 7.037 -1.372 -1.539 215 HB3 LEU 30 1HB LEU 30 7.176 0.280 -0.932 216 HG LEU 30 HG LEU 30 7.055 0.158 -3.853 217 HD11 LEU 30 1HD1 LEU 30 5.621 -1.772 -3.441 218 HD12 LEU 30 2HD1 LEU 30 4.619 -0.397 -3.907 219 HD13 LEU 30 3HD1 LEU 30 4.723 -0.878 -2.213 220 HD21 LEU 30 1HD2 LEU 30 6.791 2.166 -2.324 221 HD22 LEU 30 2HD2 LEU 30 5.227 1.505 -1.849 222 HD23 LEU 30 3HD2 LEU 30 5.512 1.977 -3.524 223 H VAL 31 H VAL 31 9.885 0.030 -4.491 224 HA VAL 31 HA VAL 31 8.933 -2.182 -5.951 225 HB VAL 31 HB VAL 31 10.298 -0.176 -6.802 226 HG11 VAL 31 1HG1 VAL 31 12.631 -2.005 -6.204 227 HG12 VAL 31 2HG1 VAL 31 12.174 -0.681 -5.132 228 HG13 VAL 31 3HG1 VAL 31 12.678 -0.341 -6.788 229 HG21 VAL 31 1HG2 VAL 31 10.320 -2.989 -7.677 230 HG22 VAL 31 2HG2 VAL 31 11.632 -2.021 -8.351 231 HG23 VAL 31 3HG2 VAL 31 9.957 -1.529 -8.598 232 H ASP 32 H ASP 32 11.751 -1.933 -3.817 233 HA ASP 32 HA ASP 32 12.859 -4.506 -4.327 234 HB2 ASP 32 2HB ASP 32 12.770 -2.884 -1.760 235 HB3 ASP 32 1HB ASP 32 13.756 -4.330 -1.981 236 H ASN 33 H ASN 33 10.204 -3.414 -2.309 237 HA ASN 33 HA ASN 33 9.678 -6.102 -1.253 238 HB2 ASN 33 2HB ASN 33 8.049 -3.564 -1.035 239 HB3 ASN 33 1HB ASN 33 7.801 -5.036 -0.101 240 HD21 ASN 33 1HD2 ASN 33 8.901 -2.083 0.426 241 HD22 ASN 33 2HD2 ASN 33 10.216 -2.383 1.456 242 H GLY 34 H GLY 34 9.469 -5.101 -4.203 243 HA2 GLY 34 2HA GLY 34 6.912 -5.040 -5.217 244 HA3 GLY 34 1HA GLY 34 8.211 -5.920 -6.024 245 H VAL 35 H VAL 35 8.263 -7.563 -3.344 246 HA VAL 35 HA VAL 35 6.936 -9.864 -4.287 247 HB VAL 35 HB VAL 35 7.504 -8.948 -1.454 248 HG11 VAL 35 1HG1 VAL 35 6.033 -10.565 -0.840 249 HG12 VAL 35 2HG1 VAL 35 7.279 -11.693 -1.372 250 HG13 VAL 35 3HG1 VAL 35 5.969 -11.247 -2.465 251 HG21 VAL 35 1HG2 VAL 35 9.512 -10.047 -1.667 252 HG22 VAL 35 2HG2 VAL 35 9.262 -9.665 -3.370 253 HG23 VAL 35 3HG2 VAL 35 8.848 -11.265 -2.755 254 H ILE 36 H ILE 36 5.723 -7.158 -2.372 255 HA ILE 36 HA ILE 36 3.114 -8.280 -1.855 256 HB ILE 36 HB ILE 36 4.354 -6.239 -0.757 257 HG12 ILE 36 2HG1 ILE 36 1.395 -6.288 -1.417 258 HG13 ILE 36 1HG1 ILE 36 2.181 -7.003 -0.011 259 HG21 ILE 36 1HG2 ILE 36 4.380 -5.128 -3.111 260 HG22 ILE 36 2HG2 ILE 36 3.959 -4.124 -1.723 261 HG23 ILE 36 3HG2 ILE 36 2.690 -4.746 -2.780 262 HD11 ILE 36 1HD1 ILE 36 3.021 -4.353 0.053 263 HD12 ILE 36 2HD1 ILE 36 1.755 -5.060 1.057 264 HD13 ILE 36 3HD1 ILE 36 1.334 -4.244 -0.449 265 H ASP 37 H ASP 37 4.537 -6.604 -4.552 266 HA ASP 37 HA ASP 37 2.208 -5.546 -5.766 267 HB2 ASP 37 2HB ASP 37 4.727 -6.613 -7.063 268 HB3 ASP 37 1HB ASP 37 3.498 -5.664 -7.895 269 H SER 38 H SER 38 3.487 -8.852 -5.841 270 HA SER 38 HA SER 38 1.277 -9.578 -7.701 271 HB2 SER 38 2HB SER 38 3.503 -11.425 -6.888 272 HB3 SER 38 1HB SER 38 2.535 -11.440 -8.360 273 H LEU 39 H LEU 39 2.905 -11.217 -4.961 274 HA LEU 39 HA LEU 39 0.571 -12.817 -4.428 275 HB2 LEU 39 2HB LEU 39 3.042 -12.295 -2.782 276 HB3 LEU 39 1HB LEU 39 1.814 -13.481 -2.356 277 HG LEU 39 HG LEU 39 2.322 -14.142 -4.965 278 HD11 LEU 39 1HD1 LEU 39 4.591 -13.928 -5.492 279 HD12 LEU 39 2HD1 LEU 39 5.055 -13.653 -3.814 280 HD13 LEU 39 3HD1 LEU 39 4.245 -12.378 -4.724 281 HD21 LEU 39 1HD2 LEU 39 2.191 -15.718 -3.104 282 HD22 LEU 39 2HD2 LEU 39 3.716 -15.117 -2.453 283 HD23 LEU 39 3HD2 LEU 39 3.695 -15.990 -3.985 284 H GLY 40 H GLY 40 2.043 -10.141 -2.581 285 HA2 GLY 40 2HA GLY 40 -0.073 -10.044 -0.642 286 HA3 GLY 40 1HA GLY 40 1.089 -8.755 -0.944 287 H LEU 41 H LEU 41 0.455 -8.403 -3.721 288 HA LEU 41 HA LEU 41 -1.618 -6.478 -3.548 289 HB2 LEU 41 2HB LEU 41 0.131 -6.596 -5.335 290 HB3 LEU 41 1HB LEU 41 -0.720 -7.976 -6.026 291 HG LEU 41 HG LEU 41 -2.790 -6.309 -5.921 292 HD11 LEU 41 1HD1 LEU 41 -2.067 -3.995 -6.371 293 HD12 LEU 41 2HD1 LEU 41 -0.386 -4.474 -6.135 294 HD13 LEU 41 3HD1 LEU 41 -1.517 -4.529 -4.782 295 HD21 LEU 41 1HD2 LEU 41 -2.325 -5.709 -8.239 296 HD22 LEU 41 2HD2 LEU 41 -1.768 -7.357 -7.957 297 HD23 LEU 41 3HD2 LEU 41 -0.606 -6.031 -8.011 298 H LEU 42 H LEU 42 -1.697 -9.859 -4.643 299 HA LEU 42 HA LEU 42 -4.459 -9.828 -5.434 300 HB2 LEU 42 2HB LEU 42 -2.792 -11.610 -6.058 301 HB3 LEU 42 1HB LEU 42 -2.870 -12.193 -4.402 302 HG LEU 42 HG LEU 42 -5.452 -12.260 -4.811 303 HD11 LEU 42 1HD1 LEU 42 -4.699 -11.210 -7.226 304 HD12 LEU 42 2HD1 LEU 42 -6.209 -12.076 -6.944 305 HD13 LEU 42 3HD1 LEU 42 -4.815 -12.927 -7.608 306 HD21 LEU 42 1HD2 LEU 42 -5.162 -14.560 -5.862 307 HD22 LEU 42 2HD2 LEU 42 -4.209 -14.279 -4.406 308 HD23 LEU 42 3HD2 LEU 42 -3.442 -14.196 -5.992 309 H LYS 43 H LYS 43 -2.846 -10.726 -2.387 310 HA LYS 43 HA LYS 43 -5.255 -11.452 -1.006 311 HB2 LYS 43 2HB LYS 43 -2.582 -10.496 0.030 312 HB3 LYS 43 1HB LYS 43 -3.855 -11.174 1.038 313 HG2 LYS 43 2HG LYS 43 -3.793 -13.249 -0.349 314 HG3 LYS 43 1HG LYS 43 -2.429 -12.574 -1.238 315 HD2 LYS 43 2HD LYS 43 -1.178 -12.375 0.916 316 HD3 LYS 43 1HD LYS 43 -2.519 -13.179 1.731 317 HE2 LYS 43 2HE LYS 43 -2.040 -14.883 -0.370 318 HE3 LYS 43 1HE LYS 43 -0.415 -14.317 0.013 319 HZ1 LYS 43 1HZ LYS 43 -1.897 -16.219 1.371 320 HZ2 LYS 43 2HZ LYS 43 -1.836 -14.862 2.392 321 HZ3 LYS 43 3HZ LYS 43 -0.399 -15.566 1.824 322 H VAL 44 H VAL 44 -3.511 -8.400 -1.394 323 HA VAL 44 HA VAL 44 -4.938 -6.896 0.561 324 HB VAL 44 HB VAL 44 -3.617 -6.042 -2.025 325 HG11 VAL 44 1HG1 VAL 44 -5.213 -4.336 -1.453 326 HG12 VAL 44 2HG1 VAL 44 -3.637 -3.766 -0.903 327 HG13 VAL 44 3HG1 VAL 44 -4.789 -4.430 0.256 328 HG21 VAL 44 1HG2 VAL 44 -2.517 -7.031 0.295 329 HG22 VAL 44 2HG2 VAL 44 -2.500 -5.294 0.600 330 HG23 VAL 44 3HG2 VAL 44 -1.687 -5.948 -0.823 331 H ILE 45 H ILE 45 -5.605 -7.386 -2.913 332 HA ILE 45 HA ILE 45 -7.854 -5.664 -3.061 333 HB ILE 45 HB ILE 45 -6.822 -7.979 -4.618 334 HG12 ILE 45 2HG1 ILE 45 -7.216 -6.333 -6.477 335 HG13 ILE 45 1HG1 ILE 45 -7.826 -5.193 -5.278 336 HG21 ILE 45 1HG2 ILE 45 -9.081 -8.707 -4.546 337 HG22 ILE 45 2HG2 ILE 45 -8.932 -7.821 -6.063 338 HG23 ILE 45 3HG2 ILE 45 -9.697 -7.059 -4.670 339 HD11 ILE 45 1HD1 ILE 45 -5.035 -6.342 -5.481 340 HD12 ILE 45 2HD1 ILE 45 -5.612 -5.478 -4.055 341 HD13 ILE 45 3HD1 ILE 45 -5.516 -4.650 -5.609 342 H ALA 46 H ALA 46 -7.698 -9.156 -2.344 343 HA ALA 46 HA ALA 46 -10.521 -9.459 -1.915 344 HB1 ALA 46 1HB ALA 46 -9.396 -11.472 -2.294 345 HB2 ALA 46 2HB ALA 46 -9.641 -11.514 -0.548 346 HB3 ALA 46 3HB ALA 46 -8.073 -11.048 -1.208 347 H TRP 47 H TRP 47 -7.814 -8.915 0.351 348 HA TRP 47 HA TRP 47 -9.548 -8.927 2.677 349 HB2 TRP 47 2HB TRP 47 -7.379 -9.506 3.232 350 HB3 TRP 47 1HB TRP 47 -6.673 -8.307 2.149 351 HD1 TRP 47 HD TRP 47 -9.264 -7.806 4.990 352 HE1 TRP 47 1HE TRP 47 -8.325 -6.013 6.594 353 HE3 TRP 47 3HE TRP 47 -4.740 -7.008 2.825 354 HZ2 TRP 47 2HZ TRP 47 -5.941 -4.442 6.904 355 HZ3 TRP 47 3HZ TRP 47 -3.142 -5.365 3.777 356 HH2 TRP 47 HH TRP 47 -3.739 -4.083 5.810 357 H LEU 48 H LEU 48 -7.983 -6.372 0.763 358 HA LEU 48 HA LEU 48 -8.797 -4.168 2.330 359 HB2 LEU 48 2HB LEU 48 -7.189 -4.096 0.410 360 HB3 LEU 48 1HB LEU 48 -8.550 -4.260 -0.689 361 HG LEU 48 HG LEU 48 -9.482 -2.196 0.659 362 HD11 LEU 48 1HD1 LEU 48 -6.484 -2.022 1.035 363 HD12 LEU 48 2HD1 LEU 48 -7.678 -2.195 2.318 364 HD13 LEU 48 3HD1 LEU 48 -7.620 -0.714 1.363 365 HD21 LEU 48 1HD2 LEU 48 -9.177 -1.714 -1.568 366 HD22 LEU 48 2HD2 LEU 48 -7.560 -2.417 -1.601 367 HD23 LEU 48 3HD2 LEU 48 -7.806 -0.802 -0.936 368 H GLU 49 H GLU 49 -10.517 -5.905 -0.258 369 HA GLU 49 HA GLU 49 -12.760 -4.145 -0.399 370 HB2 GLU 49 2HB GLU 49 -12.684 -5.679 -2.155 371 HB3 GLU 49 1HB GLU 49 -12.291 -7.027 -1.101 372 HG2 GLU 49 2HG GLU 49 -14.549 -7.099 -0.247 373 HG3 GLU 49 1HG GLU 49 -14.969 -5.622 -1.104 374 H ASP 50 H ASP 50 -12.130 -6.997 1.633 375 HA ASP 50 HA ASP 50 -14.690 -6.987 2.925 376 HB2 ASP 50 2HB ASP 50 -13.042 -8.887 2.929 377 HB3 ASP 50 1HB ASP 50 -12.076 -7.959 4.075 378 H ARG 51 H ARG 51 -11.575 -5.521 3.807 379 HA ARG 51 HA ARG 51 -12.419 -4.515 6.343 380 HB2 ARG 51 2HB ARG 51 -10.042 -4.707 5.572 381 HB3 ARG 51 1HB ARG 51 -10.319 -3.316 4.521 382 HG2 ARG 51 2HG ARG 51 -10.951 -1.960 6.495 383 HG3 ARG 51 1HG ARG 51 -10.634 -3.347 7.539 384 HD2 ARG 51 2HD ARG 51 -8.280 -3.387 6.663 385 HD3 ARG 51 1HD ARG 51 -8.625 -1.891 5.798 386 HE ARG 51 HE ARG 51 -8.048 -2.097 8.613 387 HH11 ARG 51 1HH1 ARG 51 -8.279 -0.219 9.851 388 HH12 ARG 51 2HH1 ARG 51 -9.208 1.104 9.228 389 HH21 ARG 51 1HH2 ARG 51 -9.992 -0.499 6.255 390 HH22 ARG 51 2HH2 ARG 51 -10.178 0.945 7.194 391 H PHE 52 H PHE 52 -12.401 -2.928 3.121 392 HA PHE 52 HA PHE 52 -13.875 -0.654 4.354 393 HB2 PHE 52 2HB PHE 52 -12.433 -0.942 1.710 394 HB3 PHE 52 1HB PHE 52 -13.334 0.490 2.192 395 HD1 PHE 52 1HD PHE 52 -10.280 -1.448 2.661 396 HD2 PHE 52 2HD PHE 52 -12.600 1.848 4.145 397 HE1 PHE 52 1HE PHE 52 -8.308 -0.628 3.920 398 HE2 PHE 52 2HE PHE 52 -10.628 2.667 5.407 399 HZ PHE 52 HZ PHE 52 -8.483 1.430 5.294 400 H GLY 53 H GLY 53 -14.448 -3.453 2.505 401 HA2 GLY 53 2HA GLY 53 -16.488 -4.205 1.577 402 HA3 GLY 53 1HA GLY 53 -17.229 -2.697 2.115 403 H ILE 54 H ILE 54 -14.330 -2.567 0.182 404 HA ILE 54 HA ILE 54 -15.902 -1.278 -1.980 405 HB ILE 54 HB ILE 54 -12.900 -1.495 -1.608 406 HG12 ILE 54 2HG1 ILE 54 -14.720 0.871 -1.083 407 HG13 ILE 54 1HG1 ILE 54 -14.156 -0.221 0.183 408 HG21 ILE 54 1HG2 ILE 54 -14.594 0.253 -3.419 409 HG22 ILE 54 2HG2 ILE 54 -13.605 -1.111 -3.942 410 HG23 ILE 54 3HG2 ILE 54 -12.838 0.328 -3.271 411 HD11 ILE 54 1HD1 ILE 54 -12.802 2.028 -0.820 412 HD12 ILE 54 2HD1 ILE 54 -11.947 0.636 -1.486 413 HD13 ILE 54 3HD1 ILE 54 -12.148 0.795 0.258 414 H ALA 55 H ALA 55 -15.956 -2.105 -4.086 415 HA ALA 55 HA ALA 55 -15.675 -4.918 -4.437 416 HB1 ALA 55 1HB ALA 55 -17.121 -3.952 -5.990 417 HB2 ALA 55 2HB ALA 55 -15.671 -4.174 -6.970 418 HB3 ALA 55 3HB ALA 55 -16.045 -2.588 -6.295 419 H ALA 56 H ALA 56 -14.064 -6.119 -5.574 420 HA ALA 56 HA ALA 56 -11.381 -5.428 -5.042 421 HB1 ALA 56 1HB ALA 56 -10.926 -7.149 -6.959 422 HB2 ALA 56 2HB ALA 56 -12.676 -7.366 -6.945 423 HB3 ALA 56 3HB ALA 56 -11.734 -7.704 -5.493 424 H ASP 57 H ASP 57 -13.312 -4.916 -7.984 425 HA ASP 57 HA ASP 57 -12.831 -3.643 -9.904 426 HB2 ASP 57 2HB ASP 57 -11.361 -2.062 -7.786 427 HB3 ASP 57 1HB ASP 57 -11.690 -1.473 -9.414 428 H ASP 58 H ASP 58 -11.226 -5.876 -9.772 429 HA ASP 58 HA ASP 58 -8.420 -5.365 -9.788 430 HB2 ASP 58 2HB ASP 58 -10.055 -7.496 -11.168 431 HB3 ASP 58 1HB ASP 58 -8.294 -7.503 -11.105 432 H VAL 59 H VAL 59 -7.249 -4.225 -11.213 433 HA VAL 59 HA VAL 59 -8.132 -4.128 -14.057 434 HB VAL 59 HB VAL 59 -7.478 -1.710 -14.112 435 HG11 VAL 59 1HG1 VAL 59 -9.653 -1.245 -13.740 436 HG12 VAL 59 2HG1 VAL 59 -9.479 -1.561 -12.013 437 HG13 VAL 59 3HG1 VAL 59 -9.828 -2.888 -13.120 438 HG21 VAL 59 1HG2 VAL 59 -7.737 -1.083 -11.358 439 HG22 VAL 59 2HG2 VAL 59 -6.307 -0.887 -12.370 440 HG23 VAL 59 3HG2 VAL 59 -6.549 -2.382 -11.466 441 H GLU 60 H GLU 60 -6.270 -3.473 -15.505 442 HA GLU 60 HA GLU 60 -3.922 -4.987 -14.847 443 HB2 GLU 60 2HB GLU 60 -4.300 -2.860 -16.971 444 HB3 GLU 60 1HB GLU 60 -2.994 -4.043 -16.921 445 HG2 GLU 60 2HG GLU 60 -4.705 -5.847 -16.936 446 HG3 GLU 60 1HG GLU 60 -5.941 -4.618 -17.165 447 H LEU 61 H LEU 61 -2.085 -4.375 -13.800 448 HA LEU 61 HA LEU 61 -1.728 -1.466 -13.223 449 HB2 LEU 61 2HB LEU 61 -0.826 -3.635 -11.341 450 HB3 LEU 61 1HB LEU 61 -1.160 -1.943 -10.992 451 HG LEU 61 HG LEU 61 -3.226 -4.019 -11.737 452 HD11 LEU 61 1HD1 LEU 61 -3.625 -4.333 -9.525 453 HD12 LEU 61 2HD1 LEU 61 -3.346 -2.634 -9.137 454 HD13 LEU 61 3HD1 LEU 61 -1.978 -3.731 -9.329 455 HD21 LEU 61 1HD2 LEU 61 -3.273 -1.090 -11.635 456 HD22 LEU 61 2HD2 LEU 61 -4.502 -1.828 -10.615 457 HD23 LEU 61 3HD2 LEU 61 -4.446 -2.204 -12.336 458 H SER 62 H SER 62 0.425 -0.713 -13.237 459 HA SER 62 HA SER 62 2.398 -2.623 -14.408 460 HB2 SER 62 2HB SER 62 3.418 -0.093 -14.832 461 HB3 SER 62 1HB SER 62 2.513 -1.031 -16.016 462 HG SER 62 HG SER 62 0.961 0.361 -15.823 463 HA PRO 63 HA PRO 63 5.000 -2.266 -10.883 464 HB2 PRO 63 2HB PRO 63 7.471 -1.807 -12.087 465 HB3 PRO 63 1HB PRO 63 6.723 -3.397 -11.865 466 HG2 PRO 63 2HG PRO 63 6.836 -1.678 -14.277 467 HG3 PRO 63 1HG PRO 63 6.874 -3.443 -14.140 468 HD2 PRO 63 2HD PRO 63 4.650 -2.095 -14.941 469 HD3 PRO 63 1HD PRO 63 4.564 -3.621 -14.031 470 H GLU 64 H GLU 64 5.105 0.313 -13.255 471 HA GLU 64 HA GLU 64 6.686 2.186 -11.790 472 HB2 GLU 64 2HB GLU 64 4.449 2.646 -13.767 473 HB3 GLU 64 1HB GLU 64 5.541 3.898 -13.195 474 HG2 GLU 64 2HG GLU 64 7.455 2.581 -14.055 475 HG3 GLU 64 1HG GLU 64 6.324 1.393 -14.691 476 H HIS 65 H HIS 65 3.291 1.290 -11.590 477 HA HIS 65 HA HIS 65 2.454 3.517 -9.969 478 HB2 HIS 65 2HB HIS 65 0.833 2.100 -11.148 479 HB3 HIS 65 1HB HIS 65 1.316 0.713 -10.171 480 HD1 HIS 65 1HD HIS 65 0.283 0.483 -7.869 481 HD2 HIS 65 2HD HIS 65 -0.495 4.201 -9.594 482 HE1 HIS 65 1HE HIS 65 -1.386 1.645 -6.354 483 HE2 HIS 65 2HE HIS 65 -1.860 3.907 -7.392 484 H PHE 66 H PHE 66 4.093 0.511 -9.264 485 HA PHE 66 HA PHE 66 3.722 0.938 -6.347 486 HB2 PHE 66 2HB PHE 66 5.017 -1.346 -7.867 487 HB3 PHE 66 1HB PHE 66 4.774 -1.290 -6.121 488 HD1 PHE 66 1HD PHE 66 2.503 -1.391 -5.156 489 HD2 PHE 66 2HD PHE 66 3.166 -1.712 -9.388 490 HE1 PHE 66 1HE PHE 66 0.195 -2.250 -5.453 491 HE2 PHE 66 2HE PHE 66 0.860 -2.572 -9.685 492 HZ PHE 66 HZ PHE 66 -0.625 -2.840 -7.718 493 H ARG 67 H ARG 67 5.693 2.176 -8.595 494 HA ARG 67 HA ARG 67 8.336 1.668 -7.743 495 HB2 ARG 67 2HB ARG 67 7.725 2.989 -9.768 496 HB3 ARG 67 1HB ARG 67 7.210 4.310 -8.727 497 HG2 ARG 67 2HG ARG 67 9.403 4.916 -9.314 498 HG3 ARG 67 1HG ARG 67 9.611 4.163 -7.740 499 HD2 ARG 67 2HD ARG 67 10.252 2.044 -8.814 500 HD3 ARG 67 1HD ARG 67 9.995 2.765 -10.402 501 HE ARG 67 HE ARG 67 12.284 3.254 -8.627 502 HH11 ARG 67 1HH1 ARG 67 13.920 4.521 -9.537 503 HH12 ARG 67 2HH1 ARG 67 13.612 5.383 -11.007 504 HH21 ARG 67 1HH2 ARG 67 10.343 4.263 -11.292 505 HH22 ARG 67 2HH2 ARG 67 11.587 5.237 -12.001 506 H SER 68 H SER 68 5.936 3.955 -6.440 507 HA SER 68 HA SER 68 7.594 4.102 -3.978 508 HB2 SER 68 2HB SER 68 7.473 6.519 -3.884 509 HB3 SER 68 1HB SER 68 8.158 6.068 -5.441 510 HG SER 68 HG SER 68 6.429 7.670 -5.492 511 H ILE 69 H ILE 69 6.356 4.796 -2.102 512 HA ILE 69 HA ILE 69 3.714 3.745 -1.994 513 HB ILE 69 HB ILE 69 5.084 5.708 -0.133 514 HG12 ILE 69 2HG1 ILE 69 4.867 2.703 0.062 515 HG13 ILE 69 1HG1 ILE 69 6.279 3.534 -0.571 516 HG21 ILE 69 1HG2 ILE 69 3.328 3.928 1.185 517 HG22 ILE 69 2HG2 ILE 69 2.445 4.606 -0.183 518 HG23 ILE 69 3HG2 ILE 69 3.166 5.675 1.020 519 HD11 ILE 69 1HD1 ILE 69 6.104 2.878 2.006 520 HD12 ILE 69 2HD1 ILE 69 5.230 4.407 2.082 521 HD13 ILE 69 3HD1 ILE 69 6.891 4.370 1.491 522 H ARG 70 H ARG 70 4.937 7.039 -2.450 523 HA ARG 70 HA ARG 70 2.481 8.431 -2.121 524 HB2 ARG 70 2HB ARG 70 4.699 9.536 -2.280 525 HB3 ARG 70 1HB ARG 70 4.768 9.114 -3.990 526 HG2 ARG 70 2HG ARG 70 2.743 10.427 -4.424 527 HG3 ARG 70 1HG ARG 70 2.606 10.810 -2.708 528 HD2 ARG 70 2HD ARG 70 3.658 12.697 -3.779 529 HD3 ARG 70 1HD ARG 70 4.902 11.859 -2.851 530 HE ARG 70 HE ARG 70 5.023 10.735 -5.406 531 HH11 ARG 70 1HH1 ARG 70 6.440 11.532 -6.975 532 HH12 ARG 70 2HH1 ARG 70 7.004 13.167 -6.863 533 HH21 ARG 70 1HH2 ARG 70 5.236 13.859 -3.961 534 HH22 ARG 70 2HH2 ARG 70 6.322 14.483 -5.157 535 H SER 71 H SER 71 3.863 6.844 -4.998 536 HA SER 71 HA SER 71 1.958 7.797 -6.878 537 HB2 SER 71 2HB SER 71 2.654 5.939 -8.261 538 HB3 SER 71 1HB SER 71 4.072 6.539 -7.411 539 HG SER 71 HG SER 71 2.439 4.352 -6.611 540 H ILE 72 H ILE 72 1.849 5.059 -4.627 541 HA ILE 72 HA ILE 72 -0.604 3.949 -5.622 542 HB ILE 72 HB ILE 72 0.624 3.792 -2.854 543 HG12 ILE 72 2HG1 ILE 72 0.846 1.889 -5.209 544 HG13 ILE 72 1HG1 ILE 72 2.106 3.027 -4.727 545 HG21 ILE 72 1HG2 ILE 72 -0.793 1.454 -3.555 546 HG22 ILE 72 2HG2 ILE 72 -1.840 2.810 -3.973 547 HG23 ILE 72 3HG2 ILE 72 -1.230 2.642 -2.327 548 HD11 ILE 72 1HD1 ILE 72 1.739 0.426 -3.741 549 HD12 ILE 72 2HD1 ILE 72 1.176 1.485 -2.449 550 HD13 ILE 72 3HD1 ILE 72 2.813 1.659 -3.082 551 H ASP 73 H ASP 73 0.174 6.350 -3.136 552 HA ASP 73 HA ASP 73 -2.406 6.633 -2.001 553 HB2 ASP 73 2HB ASP 73 -0.254 7.681 -1.171 554 HB3 ASP 73 1HB ASP 73 -0.430 8.883 -2.448 555 H ALA 74 H ALA 74 -1.000 8.122 -4.908 556 HA ALA 74 HA ALA 74 -3.170 9.924 -5.395 557 HB1 ALA 74 1HB ALA 74 -0.878 8.853 -6.931 558 HB2 ALA 74 2HB ALA 74 -1.469 10.510 -6.800 559 HB3 ALA 74 3HB ALA 74 -2.252 9.379 -7.904 560 H PHE 75 H PHE 75 -2.565 6.601 -6.527 561 HA PHE 75 HA PHE 75 -4.937 6.433 -8.132 562 HB2 PHE 75 2HB PHE 75 -3.037 4.836 -8.291 563 HB3 PHE 75 1HB PHE 75 -3.487 4.190 -6.715 564 HD1 PHE 75 1HD PHE 75 -4.574 4.594 -10.233 565 HD2 PHE 75 2HD PHE 75 -5.398 2.747 -6.444 566 HE1 PHE 75 1HE PHE 75 -6.251 3.122 -11.315 567 HE2 PHE 75 2HE PHE 75 -7.075 1.274 -7.525 568 HZ PHE 75 HZ PHE 75 -7.501 1.462 -9.961 569 H VAL 76 H VAL 76 -4.276 5.435 -4.769 570 HA VAL 76 HA VAL 76 -6.911 4.465 -4.235 571 HB VAL 76 HB VAL 76 -4.732 5.545 -2.431 572 HG11 VAL 76 1HG1 VAL 76 -6.272 4.030 -0.811 573 HG12 VAL 76 2HG1 VAL 76 -7.514 4.679 -1.880 574 HG13 VAL 76 3HG1 VAL 76 -6.473 5.774 -0.972 575 HG21 VAL 76 1HG2 VAL 76 -5.726 2.710 -2.815 576 HG22 VAL 76 2HG2 VAL 76 -4.247 3.234 -2.011 577 HG23 VAL 76 3HG2 VAL 76 -4.402 3.389 -3.761 578 H VAL 77 H VAL 77 -5.413 7.678 -3.774 579 HA VAL 77 HA VAL 77 -7.657 8.872 -2.473 580 HB VAL 77 HB VAL 77 -5.409 10.022 -4.139 581 HG11 VAL 77 1HG1 VAL 77 -7.196 11.598 -4.313 582 HG12 VAL 77 2HG1 VAL 77 -6.133 12.199 -3.042 583 HG13 VAL 77 3HG1 VAL 77 -7.639 11.383 -2.621 584 HG21 VAL 77 1HG2 VAL 77 -5.825 10.468 -1.207 585 HG22 VAL 77 2HG2 VAL 77 -4.319 10.370 -2.119 586 HG23 VAL 77 3HG2 VAL 77 -5.213 8.900 -1.731 587 H GLY 78 H GLY 78 -6.748 8.626 -5.900 588 HA2 GLY 78 2HA GLY 78 -8.780 10.285 -6.967 589 HA3 GLY 78 1HA GLY 78 -8.025 8.950 -7.836 590 H ALA 79 H ALA 79 -8.908 6.905 -5.914 591 HA ALA 79 HA ALA 79 -11.730 6.760 -6.828 592 HB1 ALA 79 1HB ALA 79 -9.820 4.918 -7.125 593 HB2 ALA 79 2HB ALA 79 -11.508 4.469 -6.885 594 HB3 ALA 79 3HB ALA 79 -10.386 4.441 -5.524 595 H THR 80 H THR 80 -9.793 6.176 -3.886 596 HA THR 80 HA THR 80 -12.262 6.762 -2.304 597 HB THR 80 HB THR 80 -10.153 4.719 -1.592 598 HG1 THR 80 1HG THR 80 -12.821 4.166 -2.271 599 HG21 THR 80 1HG2 THR 80 -11.775 4.081 0.156 600 HG22 THR 80 2HG2 THR 80 -12.839 5.388 -0.363 601 HG23 THR 80 3HG2 THR 80 -11.264 5.758 0.339 602 H THR 81 H THR 81 -11.970 8.161 -0.600 603 HA THR 81 HA THR 81 -9.169 8.939 0.071 604 HB THR 81 HB THR 81 -10.240 10.654 -1.371 605 HG1 THR 81 1HG THR 81 -9.521 12.246 -0.132 606 HG21 THR 81 1HG2 THR 81 -12.112 11.490 0.751 607 HG22 THR 81 2HG2 THR 81 -12.542 9.982 -0.056 608 HG23 THR 81 3HG2 THR 81 -12.333 11.459 -0.998 609 HA PRO 82 HA PRO 82 -11.418 7.913 3.945 610 HB2 PRO 82 2HB PRO 82 -9.449 6.439 5.090 611 HB3 PRO 82 1HB PRO 82 -10.557 5.770 3.876 612 HG2 PRO 82 2HG PRO 82 -7.731 6.600 3.604 613 HG3 PRO 82 1HG PRO 82 -8.624 5.324 2.765 614 HD2 PRO 82 2HD PRO 82 -8.026 7.874 1.728 615 HD3 PRO 82 1HD PRO 82 -9.199 6.722 1.056 616 HA PRO 83 HA PRO 83 -9.761 11.024 6.609 617 HB2 PRO 83 2HB PRO 83 -9.916 9.727 9.076 618 HB3 PRO 83 1HB PRO 83 -11.248 10.588 8.284 619 HG2 PRO 83 2HG PRO 83 -10.678 7.680 8.401 620 HG3 PRO 83 1HG PRO 83 -12.232 8.532 8.389 621 HD2 PRO 83 2HD PRO 83 -11.267 7.261 6.191 622 HD3 PRO 83 1HD PRO 83 -12.264 8.728 6.077 623 H VAL 84 H VAL 84 -7.817 11.619 7.722 624 HA VAL 84 HA VAL 84 -5.622 9.673 7.380 625 HB VAL 84 HB VAL 84 -5.535 12.559 8.312 626 HG11 VAL 84 1HG1 VAL 84 -3.479 10.472 7.668 627 HG12 VAL 84 2HG1 VAL 84 -3.486 11.670 8.963 628 HG13 VAL 84 3HG1 VAL 84 -3.122 12.161 7.309 629 HG21 VAL 84 1HG2 VAL 84 -5.239 13.212 6.092 630 HG22 VAL 84 2HG2 VAL 84 -6.413 11.911 5.908 631 HG23 VAL 84 3HG2 VAL 84 -4.706 11.609 5.587 632 H GLU 85 H GLU 85 -4.716 8.576 9.048 633 HA GLU 85 HA GLU 85 -5.322 9.470 11.829 634 HB2 GLU 85 2HB GLU 85 -5.270 6.616 10.797 635 HB3 GLU 85 1HB GLU 85 -5.514 7.093 12.477 636 HG2 GLU 85 2HG GLU 85 -7.537 8.371 11.797 637 HG3 GLU 85 1HG GLU 85 -7.313 7.802 10.141 638 H ALA 86 H ALA 86 -3.694 8.538 13.416 639 HA ALA 86 HA ALA 86 -1.048 9.163 12.674 640 HB1 ALA 86 1HB ALA 86 -1.912 7.190 14.813 641 HB2 ALA 86 2HB ALA 86 -1.833 8.938 15.027 642 HB3 ALA 86 3HB ALA 86 -0.358 8.019 14.729 643 H LYS 87 H LYS 87 0.683 7.915 11.903 644 HA LYS 87 HA LYS 87 0.109 5.757 10.157 645 HB2 LYS 87 2HB LYS 87 2.185 7.184 10.113 646 HB3 LYS 87 1HB LYS 87 2.767 6.287 11.515 647 HG2 LYS 87 2HG LYS 87 2.600 4.179 10.230 648 HG3 LYS 87 1HG LYS 87 2.048 5.088 8.823 649 HD2 LYS 87 2HD LYS 87 4.194 6.428 8.971 650 HD3 LYS 87 1HD LYS 87 4.745 5.274 10.187 651 HE2 LYS 87 2HE LYS 87 4.050 3.494 8.356 652 HE3 LYS 87 1HE LYS 87 4.267 4.857 7.257 653 HZ1 LYS 87 1HZ LYS 87 6.285 3.441 7.689 654 HZ2 LYS 87 2HZ LYS 87 6.309 4.090 9.259 655 HZ3 LYS 87 3HZ LYS 87 6.491 5.109 7.911 656 H LEU 88 H LEU 88 1.104 5.773 13.557 657 HA LEU 88 HA LEU 88 1.095 2.807 13.587 658 HB2 LEU 88 2HB LEU 88 1.684 4.762 15.831 659 HB3 LEU 88 1HB LEU 88 1.974 3.023 15.857 660 HG LEU 88 HG LEU 88 3.295 5.029 14.005 661 HD11 LEU 88 1HD1 LEU 88 5.344 4.001 15.260 662 HD12 LEU 88 2HD1 LEU 88 4.153 3.524 16.468 663 HD13 LEU 88 3HD1 LEU 88 4.379 5.229 16.079 664 HD21 LEU 88 1HD2 LEU 88 3.240 3.119 12.686 665 HD22 LEU 88 2HD2 LEU 88 3.191 2.035 14.077 666 HD23 LEU 88 3HD2 LEU 88 4.707 2.806 13.615 667 H GLN 89 H GLN 89 -0.466 1.616 14.694 668 HA GLN 89 HA GLN 89 -2.940 3.091 15.368 669 HB2 GLN 89 2HB GLN 89 -2.427 0.102 15.319 670 HB3 GLN 89 1HB GLN 89 -4.000 0.895 15.403 671 HG2 GLN 89 2HG GLN 89 -2.026 1.110 13.110 672 HG3 GLN 89 1HG GLN 89 -3.529 0.188 13.097 673 HE21 GLN 89 1HE2 GLN 89 -2.400 2.926 11.812 674 HE22 GLN 89 2HE2 GLN 89 -3.763 3.930 11.922 675 H1 PN7 101 3HO SAT 101 5.913 -8.509 -11.061 676 H2 PN7 101 1H1 SAT 101 2.497 -7.303 -10.336 677 H3 PN7 101 2H1 SAT 101 2.773 -8.397 -11.690 678 H5 PN7 101 1HE1 SAT 101 4.074 -4.449 -11.631 679 H6 PN7 101 2HE1 SAT 101 3.551 -5.240 -10.143 680 H7 PN7 101 3HE1 SAT 101 2.429 -5.072 -11.493 681 H8 PN7 101 2HE2 SAT 101 3.946 -7.601 -13.665 682 H9 PN7 101 3HE2 SAT 101 3.965 -5.842 -13.785 683 H10 PN7 101 1HE2 SAT 101 2.474 -6.680 -13.354 684 H11 PN7 101 3H SAT 101 5.922 -6.030 -12.316 685 H12 PN7 101 5H SAT 101 5.363 -4.431 -9.980 686 H13 PN7 101 1H6 SAT 101 7.551 -3.578 -9.738 687 H14 PN7 101 2H6 SAT 101 7.700 -4.905 -8.586 688 H15 PN7 101 1H7 SAT 101 7.998 -5.522 -11.500 689 H16 PN7 101 2H7 SAT 101 8.765 -6.288 -10.108 690 H17 PN7 101 9H SAT 101 9.688 -4.491 -12.722 691 H18 PN7 101 1H10 SAT 101 11.995 -4.274 -13.094 692 H19 PN7 101 2H10 SAT 101 12.065 -3.434 -11.546 693 H20 PN7 101 1H11 SAT 101 11.702 -6.382 -11.425 694 H21 PN7 101 2H11 SAT 101 12.671 -5.324 -10.397 695 H22 PN7 101 2HS1 SAT 101 14.335 -6.684 -11.884 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -1.902 14.349 1.754 2 H2 MET 1 2HT MET 1 -1.774 13.561 0.254 3 H3 MET 1 3HT MET 1 -0.379 14.135 1.037 4 HA MET 1 HA MET 1 -1.419 11.603 1.192 5 HB2 MET 1 2HB MET 1 0.608 13.150 2.811 6 HB3 MET 1 1HB MET 1 0.320 11.429 3.070 7 HG2 MET 1 2HG MET 1 0.784 11.013 0.668 8 HG3 MET 1 1HG MET 1 1.151 12.726 0.461 9 HE1 MET 1 1HE MET 1 2.575 13.975 1.913 10 HE2 MET 1 2HE MET 1 4.186 13.470 2.414 11 HE3 MET 1 3HE MET 1 2.817 13.219 3.494 12 H GLN 2 H GLN 2 -3.339 11.104 2.132 13 HA GLN 2 HA GLN 2 -3.916 12.233 4.840 14 HB2 GLN 2 2HB GLN 2 -5.775 10.924 2.827 15 HB3 GLN 2 1HB GLN 2 -6.260 11.563 4.398 16 HG2 GLN 2 2HG GLN 2 -5.508 13.811 3.728 17 HG3 GLN 2 1HG GLN 2 -4.999 13.177 2.161 18 HE21 GLN 2 1HE2 GLN 2 -6.990 15.224 2.337 19 HE22 GLN 2 2HE2 GLN 2 -8.475 14.576 1.837 20 H HIS 3 H HIS 3 -4.137 10.800 6.567 21 HA HIS 3 HA HIS 3 -3.656 8.788 7.711 22 HB2 HIS 3 2HB HIS 3 -5.926 8.499 6.006 23 HB3 HIS 3 1HB HIS 3 -5.024 6.984 5.948 24 HD1 HIS 3 1HD HIS 3 -6.041 9.451 8.695 25 HD2 HIS 3 2HD HIS 3 -5.775 5.342 8.026 26 HE1 HIS 3 1HE HIS 3 -6.857 8.324 10.814 27 HE2 HIS 3 2HE HIS 3 -6.698 5.824 10.417 28 H ALA 4 H ALA 4 -1.831 9.577 5.473 29 HA ALA 4 HA ALA 4 -1.052 7.332 3.914 30 HB1 ALA 4 1HB ALA 4 1.311 8.617 4.292 31 HB2 ALA 4 2HB ALA 4 0.182 9.890 4.754 32 HB3 ALA 4 3HB ALA 4 0.080 9.159 3.152 33 H SER 5 H SER 5 -0.186 8.283 7.221 34 HA SER 5 HA SER 5 1.928 6.431 7.623 35 HB2 SER 5 2HB SER 5 1.265 8.270 9.209 36 HB3 SER 5 1HB SER 5 -0.120 7.291 9.685 37 HG SER 5 HG SER 5 2.136 5.823 9.721 38 H VAL 6 H VAL 6 -1.583 6.039 7.952 39 HA VAL 6 HA VAL 6 -1.475 3.360 8.994 40 HB VAL 6 HB VAL 6 -3.630 4.802 7.436 41 HG11 VAL 6 1HG1 VAL 6 -4.013 2.445 7.162 42 HG12 VAL 6 2HG1 VAL 6 -5.108 2.994 8.432 43 HG13 VAL 6 3HG1 VAL 6 -3.631 2.128 8.854 44 HG21 VAL 6 1HG2 VAL 6 -2.939 4.472 10.338 45 HG22 VAL 6 2HG2 VAL 6 -4.633 4.629 9.875 46 HG23 VAL 6 3HG2 VAL 6 -3.490 5.911 9.480 47 H ILE 7 H ILE 7 -1.562 4.690 5.718 48 HA ILE 7 HA ILE 7 -1.967 2.251 4.316 49 HB ILE 7 HB ILE 7 -0.341 4.673 3.489 50 HG12 ILE 7 2HG1 ILE 7 -3.239 3.965 2.934 51 HG13 ILE 7 1HG1 ILE 7 -2.717 5.124 4.155 52 HG21 ILE 7 1HG2 ILE 7 0.135 2.745 2.066 53 HG22 ILE 7 2HG2 ILE 7 -0.891 3.877 1.183 54 HG23 ILE 7 3HG2 ILE 7 -1.588 2.417 1.887 55 HD11 ILE 7 1HD1 ILE 7 -1.353 5.895 1.840 56 HD12 ILE 7 2HD1 ILE 7 -2.762 6.693 2.538 57 HD13 ILE 7 3HD1 ILE 7 -2.971 5.476 1.280 58 H ALA 8 H ALA 8 1.087 3.887 5.195 59 HA ALA 8 HA ALA 8 2.793 1.801 4.213 60 HB1 ALA 8 1HB ALA 8 4.371 2.857 6.060 61 HB2 ALA 8 2HB ALA 8 3.117 4.095 6.116 62 HB3 ALA 8 3HB ALA 8 3.968 3.769 4.605 63 H GLN 9 H GLN 9 1.543 2.510 7.464 64 HA GLN 9 HA GLN 9 2.731 0.259 8.762 65 HB2 GLN 9 2HB GLN 9 1.745 2.212 9.951 66 HB3 GLN 9 1HB GLN 9 0.141 1.683 9.443 67 HG2 GLN 9 2HG GLN 9 1.299 -0.598 10.569 68 HG3 GLN 9 1HG GLN 9 1.783 0.716 11.640 69 HE21 GLN 9 1HE2 GLN 9 -1.193 -0.297 9.852 70 HE22 GLN 9 2HE2 GLN 9 -2.252 0.049 11.134 71 H PHE 10 H PHE 10 -0.392 0.695 7.154 72 HA PHE 10 HA PHE 10 -1.456 -1.880 7.821 73 HB2 PHE 10 2HB PHE 10 -2.804 0.059 7.008 74 HB3 PHE 10 1HB PHE 10 -2.092 -0.160 5.411 75 HD1 PHE 10 1HD PHE 10 -4.253 -1.708 7.990 76 HD2 PHE 10 2HD PHE 10 -2.783 -1.946 3.963 77 HE1 PHE 10 1HE PHE 10 -5.951 -3.443 7.475 78 HE2 PHE 10 2HE PHE 10 -4.479 -3.682 3.446 79 HZ PHE 10 HZ PHE 10 -6.063 -4.428 5.203 80 H VAL 11 H VAL 11 0.087 -0.712 4.816 81 HA VAL 11 HA VAL 11 0.085 -3.327 3.591 82 HB VAL 11 HB VAL 11 0.307 -1.019 2.447 83 HG11 VAL 11 1HG1 VAL 11 3.245 -1.531 2.952 84 HG12 VAL 11 2HG1 VAL 11 2.297 -0.413 3.931 85 HG13 VAL 11 3HG1 VAL 11 2.504 -0.115 2.206 86 HG21 VAL 11 1HG2 VAL 11 0.481 -3.174 1.256 87 HG22 VAL 11 2HG2 VAL 11 2.184 -3.285 1.698 88 HG23 VAL 11 3HG2 VAL 11 1.636 -2.009 0.609 89 H VAL 12 H VAL 12 2.527 -1.478 5.397 90 HA VAL 12 HA VAL 12 4.654 -3.360 5.050 91 HB VAL 12 HB VAL 12 4.145 -1.400 7.294 92 HG11 VAL 12 1HG1 VAL 12 5.758 -3.156 7.926 93 HG12 VAL 12 2HG1 VAL 12 6.567 -1.607 7.722 94 HG13 VAL 12 3HG1 VAL 12 6.682 -2.836 6.463 95 HG21 VAL 12 1HG2 VAL 12 4.489 -0.761 4.712 96 HG22 VAL 12 2HG2 VAL 12 6.181 -0.983 5.156 97 HG23 VAL 12 3HG2 VAL 12 5.194 0.202 6.010 98 H GLU 13 H GLU 13 2.031 -3.134 7.405 99 HA GLU 13 HA GLU 13 2.937 -5.043 9.283 100 HB2 GLU 13 2HB GLU 13 0.906 -3.625 9.567 101 HB3 GLU 13 1HB GLU 13 0.087 -4.626 8.375 102 HG2 GLU 13 2HG GLU 13 0.509 -6.622 9.800 103 HG3 GLU 13 1HG GLU 13 1.218 -5.561 11.014 104 H GLU 14 H GLU 14 1.519 -5.464 6.101 105 HA GLU 14 HA GLU 14 0.896 -8.251 6.341 106 HB2 GLU 14 2HB GLU 14 0.072 -6.757 4.511 107 HB3 GLU 14 1HB GLU 14 1.703 -6.735 3.843 108 HG2 GLU 14 2HG GLU 14 1.628 -9.220 3.667 109 HG3 GLU 14 1HG GLU 14 -0.043 -9.181 4.232 110 H PHE 15 H PHE 15 3.881 -6.523 5.615 111 HA PHE 15 HA PHE 15 5.324 -9.111 5.839 112 HB2 PHE 15 2HB PHE 15 6.652 -8.697 3.861 113 HB3 PHE 15 1HB PHE 15 4.954 -8.589 3.400 114 HD1 PHE 15 1HD PHE 15 3.866 -6.287 3.272 115 HD2 PHE 15 2HD PHE 15 8.113 -6.848 3.582 116 HE1 PHE 15 1HE PHE 15 4.231 -3.976 2.451 117 HE2 PHE 15 2HE PHE 15 8.478 -4.535 2.763 118 HZ PHE 15 HZ PHE 15 6.537 -3.101 2.197 119 H LEU 16 H LEU 16 5.169 -7.183 7.842 120 HA LEU 16 HA LEU 16 7.439 -5.381 7.633 121 HB2 LEU 16 2HB LEU 16 6.670 -4.406 9.544 122 HB3 LEU 16 1HB LEU 16 5.195 -5.234 9.087 123 HG LEU 16 HG LEU 16 7.264 -6.257 11.066 124 HD11 LEU 16 1HD1 LEU 16 4.791 -6.000 12.302 125 HD12 LEU 16 2HD1 LEU 16 4.904 -4.561 11.287 126 HD13 LEU 16 3HD1 LEU 16 6.160 -4.901 12.478 127 HD21 LEU 16 1HD2 LEU 16 6.191 -8.263 11.065 128 HD22 LEU 16 2HD2 LEU 16 5.497 -7.761 9.527 129 HD23 LEU 16 3HD2 LEU 16 4.605 -7.497 11.021 130 HA PRO 17 HA PRO 17 10.355 -8.420 9.150 131 HB2 PRO 17 2HB PRO 17 12.515 -6.805 9.455 132 HB3 PRO 17 1HB PRO 17 11.900 -7.244 7.851 133 HG2 PRO 17 2HG PRO 17 11.487 -4.737 9.408 134 HG3 PRO 17 1HG PRO 17 11.832 -4.948 7.685 135 HD2 PRO 17 2HD PRO 17 9.313 -4.485 8.671 136 HD3 PRO 17 1HD PRO 17 9.636 -5.362 7.160 137 H ASP 18 H ASP 18 12.414 -7.476 11.057 138 HA ASP 18 HA ASP 18 10.813 -7.630 13.493 139 HB2 ASP 18 2HB ASP 18 12.977 -7.683 14.632 140 HB3 ASP 18 1HB ASP 18 13.007 -8.791 13.265 141 H VAL 19 H VAL 19 11.078 -5.189 11.504 142 HA VAL 19 HA VAL 19 11.628 -3.128 13.605 143 HB VAL 19 HB VAL 19 11.628 -2.789 10.592 144 HG11 VAL 19 1HG1 VAL 19 11.288 -0.659 11.483 145 HG12 VAL 19 2HG1 VAL 19 13.049 -0.737 11.428 146 HG13 VAL 19 3HG1 VAL 19 12.201 -1.015 12.950 147 HG21 VAL 19 1HG2 VAL 19 14.176 -2.551 11.081 148 HG22 VAL 19 2HG2 VAL 19 13.492 -4.176 11.011 149 HG23 VAL 19 3HG2 VAL 19 13.817 -3.422 12.572 150 H ALA 20 H ALA 20 9.978 -1.715 14.124 151 HA ALA 20 HA ALA 20 7.301 -2.316 13.245 152 HB1 ALA 20 1HB ALA 20 7.650 -1.390 15.459 153 HB2 ALA 20 2HB ALA 20 6.707 -0.231 14.521 154 HB3 ALA 20 3HB ALA 20 8.431 0.038 14.780 155 HA PRO 21 HA PRO 21 7.220 -0.062 9.368 156 HB2 PRO 21 2HB PRO 21 4.555 0.915 10.279 157 HB3 PRO 21 1HB PRO 21 5.009 0.125 8.758 158 HG2 PRO 21 2HG PRO 21 3.691 -1.153 10.719 159 HG3 PRO 21 1HG PRO 21 4.824 -1.968 9.631 160 HD2 PRO 21 2HD PRO 21 5.141 -1.313 12.499 161 HD3 PRO 21 1HD PRO 21 5.964 -2.542 11.513 162 H ALA 22 H ALA 22 6.448 1.498 12.421 163 HA ALA 22 HA ALA 22 6.567 4.209 11.399 164 HB1 ALA 22 1HB ALA 22 5.490 4.275 13.418 165 HB2 ALA 22 2HB ALA 22 7.126 4.497 14.037 166 HB3 ALA 22 3HB ALA 22 6.387 2.896 14.054 167 H ASP 23 H ASP 23 8.933 1.843 12.175 168 HA ASP 23 HA ASP 23 11.046 3.929 12.432 169 HB2 ASP 23 2HB ASP 23 11.062 0.969 13.074 170 HB3 ASP 23 1HB ASP 23 12.478 2.014 13.194 171 H VAL 24 H VAL 24 9.624 2.365 9.967 172 HA VAL 24 HA VAL 24 12.132 1.581 8.602 173 HB VAL 24 HB VAL 24 10.753 0.526 6.978 174 HG11 VAL 24 1HG1 VAL 24 10.805 -0.687 9.086 175 HG12 VAL 24 2HG1 VAL 24 9.205 -0.852 8.363 176 HG13 VAL 24 3HG1 VAL 24 9.458 0.270 9.699 177 HG21 VAL 24 1HG2 VAL 24 8.762 2.506 7.922 178 HG22 VAL 24 2HG2 VAL 24 8.117 0.931 7.472 179 HG23 VAL 24 3HG2 VAL 24 9.035 1.875 6.300 180 H ASP 25 H ASP 25 12.873 2.670 6.749 181 HA ASP 25 HA ASP 25 12.184 5.470 6.576 182 HB2 ASP 25 2HB ASP 25 13.826 3.687 4.751 183 HB3 ASP 25 1HB ASP 25 13.702 5.439 4.576 184 H VAL 26 H VAL 26 9.907 5.466 6.112 185 HA VAL 26 HA VAL 26 8.712 4.062 3.930 186 HB VAL 26 HB VAL 26 6.869 5.674 4.152 187 HG11 VAL 26 1HG1 VAL 26 7.477 5.525 6.989 188 HG12 VAL 26 2HG1 VAL 26 7.898 4.019 6.174 189 HG13 VAL 26 3HG1 VAL 26 6.255 4.650 6.065 190 HG21 VAL 26 1HG2 VAL 26 7.342 7.452 6.057 191 HG22 VAL 26 2HG2 VAL 26 7.807 7.795 4.391 192 HG23 VAL 26 3HG2 VAL 26 9.017 7.241 5.547 193 H ASP 27 H ASP 27 11.189 6.139 3.675 194 HA ASP 27 HA ASP 27 10.180 7.550 1.261 195 HB2 ASP 27 2HB ASP 27 12.770 7.803 2.822 196 HB3 ASP 27 1HB ASP 27 12.395 8.727 1.367 197 H LEU 28 H LEU 28 11.277 4.592 1.885 198 HA LEU 28 HA LEU 28 13.234 4.428 -0.342 199 HB2 LEU 28 2HB LEU 28 13.685 3.265 1.834 200 HB3 LEU 28 1HB LEU 28 12.272 2.255 1.540 201 HG LEU 28 HG LEU 28 13.483 1.824 -0.785 202 HD11 LEU 28 1HD1 LEU 28 15.305 3.481 -0.146 203 HD12 LEU 28 2HD1 LEU 28 15.873 1.893 -0.663 204 HD13 LEU 28 3HD1 LEU 28 15.838 2.301 1.053 205 HD21 LEU 28 1HD2 LEU 28 14.094 0.583 1.901 206 HD22 LEU 28 2HD2 LEU 28 14.738 -0.085 0.402 207 HD23 LEU 28 3HD2 LEU 28 12.994 -0.003 0.652 208 H ASP 29 H ASP 29 12.702 3.506 -2.295 209 HA ASP 29 HA ASP 29 9.941 3.111 -2.959 210 HB2 ASP 29 2HB ASP 29 12.470 2.214 -4.381 211 HB3 ASP 29 1HB ASP 29 10.851 2.113 -5.076 212 H LEU 30 H LEU 30 8.711 1.382 -2.411 213 HA LEU 30 HA LEU 30 9.838 -0.915 -1.101 214 HB2 LEU 30 2HB LEU 30 7.513 -1.835 -1.266 215 HB3 LEU 30 1HB LEU 30 7.569 -0.208 -0.585 216 HG LEU 30 HG LEU 30 7.369 -0.199 -3.504 217 HD11 LEU 30 1HD1 LEU 30 6.023 -2.137 -3.362 218 HD12 LEU 30 2HD1 LEU 30 4.860 -0.812 -3.326 219 HD13 LEU 30 3HD1 LEU 30 5.307 -1.633 -1.831 220 HD21 LEU 30 1HD2 LEU 30 7.028 1.716 -1.873 221 HD22 LEU 30 2HD2 LEU 30 5.525 0.935 -1.383 222 HD23 LEU 30 3HD2 LEU 30 5.725 1.501 -3.041 223 H VAL 31 H VAL 31 10.239 -0.155 -4.203 224 HA VAL 31 HA VAL 31 9.353 -2.341 -5.745 225 HB VAL 31 HB VAL 31 10.634 -0.233 -6.508 226 HG11 VAL 31 1HG1 VAL 31 12.568 -0.776 -4.922 227 HG12 VAL 31 2HG1 VAL 31 13.019 -0.345 -6.571 228 HG13 VAL 31 3HG1 VAL 31 13.024 -2.035 -6.070 229 HG21 VAL 31 1HG2 VAL 31 10.878 -3.025 -7.535 230 HG22 VAL 31 2HG2 VAL 31 11.908 -1.801 -8.278 231 HG23 VAL 31 3HG2 VAL 31 10.155 -1.607 -8.295 232 H ASP 32 H ASP 32 12.198 -2.062 -3.645 233 HA ASP 32 HA ASP 32 13.387 -4.574 -4.273 234 HB2 ASP 32 2HB ASP 32 14.385 -2.762 -2.797 235 HB3 ASP 32 1HB ASP 32 13.294 -3.302 -1.521 236 H ASN 33 H ASN 33 10.736 -3.644 -2.172 237 HA ASN 33 HA ASN 33 10.326 -6.379 -1.189 238 HB2 ASN 33 2HB ASN 33 8.624 -3.900 -0.864 239 HB3 ASN 33 1HB ASN 33 8.424 -5.410 0.021 240 HD21 ASN 33 1HD2 ASN 33 10.054 -2.388 0.026 241 HD22 ASN 33 2HD2 ASN 33 11.140 -2.718 1.289 242 H GLY 34 H GLY 34 10.028 -5.300 -4.107 243 HA2 GLY 34 2HA GLY 34 7.453 -5.298 -5.073 244 HA3 GLY 34 1HA GLY 34 8.763 -6.111 -5.929 245 H VAL 35 H VAL 35 8.933 -7.854 -3.329 246 HA VAL 35 HA VAL 35 7.616 -10.143 -4.324 247 HB VAL 35 HB VAL 35 8.286 -9.347 -1.474 248 HG11 VAL 35 1HG1 VAL 35 6.767 -11.630 -2.539 249 HG12 VAL 35 2HG1 VAL 35 6.887 -11.034 -0.883 250 HG13 VAL 35 3HG1 VAL 35 8.136 -12.099 -1.530 251 HG21 VAL 35 1HG2 VAL 35 10.138 -9.703 -3.171 252 HG22 VAL 35 2HG2 VAL 35 9.588 -11.372 -3.316 253 HG23 VAL 35 3HG2 VAL 35 10.204 -10.777 -1.773 254 H ILE 36 H ILE 36 6.444 -7.545 -2.239 255 HA ILE 36 HA ILE 36 3.877 -8.735 -1.656 256 HB ILE 36 HB ILE 36 5.122 -6.726 -0.520 257 HG12 ILE 36 2HG1 ILE 36 2.150 -6.845 -1.092 258 HG13 ILE 36 1HG1 ILE 36 3.007 -7.486 0.308 259 HG21 ILE 36 1HG2 ILE 36 3.395 -5.169 -2.439 260 HG22 ILE 36 2HG2 ILE 36 5.080 -5.521 -2.823 261 HG23 ILE 36 3HG2 ILE 36 4.682 -4.577 -1.387 262 HD11 ILE 36 1HD1 ILE 36 3.759 -4.862 0.394 263 HD12 ILE 36 2HD1 ILE 36 2.398 -5.528 1.295 264 HD13 ILE 36 3HD1 ILE 36 2.124 -4.727 -0.253 265 H ASP 37 H ASP 37 5.161 -6.921 -4.334 266 HA ASP 37 HA ASP 37 2.734 -5.907 -5.418 267 HB2 ASP 37 2HB ASP 37 5.273 -6.752 -6.839 268 HB3 ASP 37 1HB ASP 37 3.968 -5.830 -7.581 269 H SER 38 H SER 38 4.149 -9.130 -5.582 270 HA SER 38 HA SER 38 2.018 -9.922 -7.506 271 HB2 SER 38 2HB SER 38 4.469 -11.461 -6.626 272 HB3 SER 38 1HB SER 38 3.351 -11.921 -7.908 273 H LEU 39 H LEU 39 3.632 -11.508 -4.730 274 HA LEU 39 HA LEU 39 1.315 -13.157 -4.229 275 HB2 LEU 39 2HB LEU 39 3.638 -12.621 -2.388 276 HB3 LEU 39 1HB LEU 39 2.547 -13.999 -2.336 277 HG LEU 39 HG LEU 39 4.575 -13.335 -4.468 278 HD11 LEU 39 1HD1 LEU 39 4.136 -15.649 -2.577 279 HD12 LEU 39 2HD1 LEU 39 5.495 -14.526 -2.591 280 HD13 LEU 39 3HD1 LEU 39 5.297 -15.687 -3.904 281 HD21 LEU 39 1HD2 LEU 39 3.666 -15.547 -5.473 282 HD22 LEU 39 2HD2 LEU 39 2.732 -14.077 -5.750 283 HD23 LEU 39 3HD2 LEU 39 2.224 -15.226 -4.511 284 H GLY 40 H GLY 40 2.774 -10.490 -2.364 285 HA2 GLY 40 2HA GLY 40 0.693 -10.401 -0.405 286 HA3 GLY 40 1HA GLY 40 1.804 -9.081 -0.758 287 H LEU 41 H LEU 41 1.112 -8.824 -3.530 288 HA LEU 41 HA LEU 41 -1.075 -7.005 -3.334 289 HB2 LEU 41 2HB LEU 41 0.700 -6.978 -5.111 290 HB3 LEU 41 1HB LEU 41 -0.067 -8.393 -5.833 291 HG LEU 41 HG LEU 41 -1.886 -6.125 -5.262 292 HD11 LEU 41 1HD1 LEU 41 0.134 -4.935 -6.044 293 HD12 LEU 41 2HD1 LEU 41 -1.149 -4.869 -7.253 294 HD13 LEU 41 3HD1 LEU 41 0.201 -5.985 -7.460 295 HD21 LEU 41 1HD2 LEU 41 -1.503 -7.517 -7.897 296 HD22 LEU 41 2HD2 LEU 41 -2.990 -6.933 -7.154 297 HD23 LEU 41 3HD2 LEU 41 -2.227 -8.405 -6.559 298 H LEU 42 H LEU 42 -0.890 -10.384 -4.388 299 HA LEU 42 HA LEU 42 -3.577 -10.619 -5.313 300 HB2 LEU 42 2HB LEU 42 -1.782 -12.354 -5.620 301 HB3 LEU 42 1HB LEU 42 -1.937 -12.755 -3.916 302 HG LEU 42 HG LEU 42 -4.491 -13.013 -4.503 303 HD11 LEU 42 1HD1 LEU 42 -4.332 -12.184 -6.786 304 HD12 LEU 42 2HD1 LEU 42 -4.752 -13.897 -6.824 305 HD13 LEU 42 3HD1 LEU 42 -3.099 -13.384 -7.165 306 HD21 LEU 42 1HD2 LEU 42 -3.834 -15.418 -5.388 307 HD22 LEU 42 2HD2 LEU 42 -3.444 -14.948 -3.734 308 HD23 LEU 42 3HD2 LEU 42 -2.200 -14.892 -4.983 309 H LYS 43 H LYS 43 -2.148 -11.079 -2.082 310 HA LYS 43 HA LYS 43 -4.623 -11.772 -0.793 311 HB2 LYS 43 2HB LYS 43 -2.073 -10.579 0.306 312 HB3 LYS 43 1HB LYS 43 -3.389 -11.198 1.296 313 HG2 LYS 43 2HG LYS 43 -3.140 -13.413 0.170 314 HG3 LYS 43 1HG LYS 43 -1.741 -12.778 -0.696 315 HD2 LYS 43 2HD LYS 43 -0.664 -12.272 1.502 316 HD3 LYS 43 1HD LYS 43 -2.029 -13.042 2.311 317 HE2 LYS 43 2HE LYS 43 -0.216 -14.658 2.098 318 HE3 LYS 43 1HE LYS 43 -1.545 -15.139 1.044 319 HZ1 LYS 43 1HZ LYS 43 0.603 -15.268 -0.077 320 HZ2 LYS 43 2HZ LYS 43 0.853 -13.608 0.189 321 HZ3 LYS 43 3HZ LYS 43 -0.413 -14.130 -0.818 322 H VAL 44 H VAL 44 -2.909 -8.706 -1.300 323 HA VAL 44 HA VAL 44 -4.667 -7.084 0.281 324 HB VAL 44 HB VAL 44 -2.896 -6.421 -2.086 325 HG11 VAL 44 1HG1 VAL 44 -4.038 -4.470 -2.163 326 HG12 VAL 44 2HG1 VAL 44 -3.267 -4.101 -0.620 327 HG13 VAL 44 3HG1 VAL 44 -4.879 -4.810 -0.652 328 HG21 VAL 44 1HG2 VAL 44 -2.353 -5.470 0.674 329 HG22 VAL 44 2HG2 VAL 44 -1.232 -6.061 -0.553 330 HG23 VAL 44 3HG2 VAL 44 -2.172 -7.203 0.407 331 H ILE 45 H ILE 45 -4.656 -7.834 -3.209 332 HA ILE 45 HA ILE 45 -6.920 -6.229 -3.866 333 HB ILE 45 HB ILE 45 -5.426 -8.467 -5.129 334 HG12 ILE 45 2HG1 ILE 45 -5.269 -6.900 -6.950 335 HG13 ILE 45 1HG1 ILE 45 -6.566 -5.908 -6.284 336 HG21 ILE 45 1HG2 ILE 45 -7.199 -8.478 -6.980 337 HG22 ILE 45 2HG2 ILE 45 -8.290 -7.764 -5.794 338 HG23 ILE 45 3HG2 ILE 45 -7.597 -9.362 -5.507 339 HD11 ILE 45 1HD1 ILE 45 -5.209 -4.965 -4.679 340 HD12 ILE 45 2HD1 ILE 45 -3.987 -5.297 -5.904 341 HD13 ILE 45 3HD1 ILE 45 -4.193 -6.398 -4.545 342 H ALA 46 H ALA 46 -6.658 -9.627 -2.841 343 HA ALA 46 HA ALA 46 -9.427 -10.268 -3.147 344 HB1 ALA 46 1HB ALA 46 -7.167 -11.378 -1.505 345 HB2 ALA 46 2HB ALA 46 -8.067 -12.141 -2.817 346 HB3 ALA 46 3HB ALA 46 -8.810 -11.957 -1.228 347 H TRP 47 H TRP 47 -7.601 -8.913 -0.411 348 HA TRP 47 HA TRP 47 -9.956 -8.834 1.309 349 HB2 TRP 47 2HB TRP 47 -8.105 -8.912 2.660 350 HB3 TRP 47 1HB TRP 47 -7.097 -8.042 1.504 351 HD1 TRP 47 HD TRP 47 -9.757 -7.441 4.202 352 HE1 TRP 47 1HE TRP 47 -9.582 -4.991 4.979 353 HE3 TRP 47 3HE TRP 47 -6.317 -5.692 0.874 354 HZ2 TRP 47 2HZ TRP 47 -8.165 -2.603 4.287 355 HZ3 TRP 47 3HZ TRP 47 -5.566 -3.335 0.950 356 HH2 TRP 47 HH TRP 47 -6.486 -1.790 2.650 357 H LEU 48 H LEU 48 -8.010 -6.384 -0.410 358 HA LEU 48 HA LEU 48 -9.563 -4.135 0.331 359 HB2 LEU 48 2HB LEU 48 -7.307 -4.091 -0.773 360 HB3 LEU 48 1HB LEU 48 -8.089 -4.536 -2.281 361 HG LEU 48 HG LEU 48 -9.624 -2.469 -1.752 362 HD11 LEU 48 1HD1 LEU 48 -8.837 -0.935 -0.244 363 HD12 LEU 48 2HD1 LEU 48 -7.151 -1.349 -0.556 364 HD13 LEU 48 3HD1 LEU 48 -8.132 -2.377 0.486 365 HD21 LEU 48 1HD2 LEU 48 -6.927 -2.695 -2.981 366 HD22 LEU 48 2HD2 LEU 48 -7.519 -1.057 -2.703 367 HD23 LEU 48 3HD2 LEU 48 -8.449 -2.173 -3.703 368 H GLU 49 H GLU 49 -9.895 -6.296 -2.501 369 HA GLU 49 HA GLU 49 -12.058 -4.815 -3.668 370 HB2 GLU 49 2HB GLU 49 -12.401 -6.784 -5.046 371 HB3 GLU 49 1HB GLU 49 -10.669 -6.541 -4.859 372 HG2 GLU 49 2HG GLU 49 -10.736 -8.764 -4.313 373 HG3 GLU 49 1HG GLU 49 -11.118 -8.102 -2.727 374 H ASP 50 H ASP 50 -11.893 -7.422 -1.298 375 HA ASP 50 HA ASP 50 -14.743 -7.882 -1.181 376 HB2 ASP 50 2HB ASP 50 -12.947 -9.488 -0.421 377 HB3 ASP 50 1HB ASP 50 -12.700 -8.432 0.967 378 H ARG 51 H ARG 51 -12.476 -6.011 0.821 379 HA ARG 51 HA ARG 51 -14.357 -5.150 2.762 380 HB2 ARG 51 2HB ARG 51 -11.897 -4.923 2.999 381 HB3 ARG 51 1HB ARG 51 -11.918 -3.650 1.776 382 HG2 ARG 51 2HG ARG 51 -13.460 -2.328 3.191 383 HG3 ARG 51 1HG ARG 51 -13.401 -3.588 4.422 384 HD2 ARG 51 2HD ARG 51 -10.977 -2.079 3.401 385 HD3 ARG 51 1HD ARG 51 -11.839 -1.692 4.890 386 HE ARG 51 HE ARG 51 -10.872 -4.468 4.659 387 HH11 ARG 51 1HH1 ARG 51 -9.433 -5.075 6.292 388 HH12 ARG 51 2HH1 ARG 51 -8.755 -3.863 7.326 389 HH21 ARG 51 1HH2 ARG 51 -10.413 -1.237 5.785 390 HH22 ARG 51 2HH2 ARG 51 -9.309 -1.693 7.039 391 H PHE 52 H PHE 52 -13.469 -3.648 -0.364 392 HA PHE 52 HA PHE 52 -15.561 -1.593 0.142 393 HB2 PHE 52 2HB PHE 52 -13.331 -1.757 -1.901 394 HB3 PHE 52 1HB PHE 52 -14.522 -0.463 -1.833 395 HD1 PHE 52 1HD PHE 52 -14.573 1.120 0.048 396 HD2 PHE 52 2HD PHE 52 -11.597 -1.966 -0.207 397 HE1 PHE 52 1HE PHE 52 -13.236 2.265 1.796 398 HE2 PHE 52 2HE PHE 52 -10.261 -0.821 1.541 399 HZ PHE 52 HZ PHE 52 -11.080 1.294 2.542 400 H GLY 53 H GLY 53 -15.205 -4.561 -1.391 401 HA2 GLY 53 2HA GLY 53 -16.617 -5.693 -2.890 402 HA3 GLY 53 1HA GLY 53 -17.771 -4.377 -2.669 403 H ILE 54 H ILE 54 -14.461 -3.943 -3.818 404 HA ILE 54 HA ILE 54 -15.586 -2.790 -6.322 405 HB ILE 54 HB ILE 54 -12.759 -2.680 -5.227 406 HG12 ILE 54 2HG1 ILE 54 -14.877 -0.515 -5.179 407 HG13 ILE 54 1HG1 ILE 54 -14.576 -1.591 -3.813 408 HG21 ILE 54 1HG2 ILE 54 -12.223 -1.674 -7.168 409 HG22 ILE 54 2HG2 ILE 54 -13.538 -0.517 -6.964 410 HG23 ILE 54 3HG2 ILE 54 -13.834 -2.056 -7.772 411 HD11 ILE 54 1HD1 ILE 54 -13.311 0.507 -3.557 412 HD12 ILE 54 2HD1 ILE 54 -12.528 0.230 -5.113 413 HD13 ILE 54 3HD1 ILE 54 -12.215 -0.860 -3.761 414 H ALA 55 H ALA 55 -15.270 -3.793 -8.287 415 HA ALA 55 HA ALA 55 -14.348 -6.497 -8.394 416 HB1 ALA 55 1HB ALA 55 -14.102 -5.379 -10.984 417 HB2 ALA 55 2HB ALA 55 -15.468 -4.568 -10.219 418 HB3 ALA 55 3HB ALA 55 -15.447 -6.326 -10.349 419 H ALA 56 H ALA 56 -12.342 -7.344 -8.829 420 HA ALA 56 HA ALA 56 -10.026 -5.670 -8.490 421 HB1 ALA 56 1HB ALA 56 -10.324 -8.202 -7.984 422 HB2 ALA 56 2HB ALA 56 -8.769 -7.654 -8.611 423 HB3 ALA 56 3HB ALA 56 -9.929 -8.432 -9.688 424 H ASP 57 H ASP 57 -11.741 -6.868 -11.317 425 HA ASP 57 HA ASP 57 -9.563 -6.123 -13.134 426 HB2 ASP 57 2HB ASP 57 -11.078 -6.877 -14.891 427 HB3 ASP 57 1HB ASP 57 -11.047 -8.064 -13.591 428 H ASP 58 H ASP 58 -11.722 -4.300 -11.445 429 HA ASP 58 HA ASP 58 -12.861 -2.574 -13.401 430 HB2 ASP 58 2HB ASP 58 -12.011 -2.059 -10.552 431 HB3 ASP 58 1HB ASP 58 -12.882 -0.876 -11.527 432 H VAL 59 H VAL 59 -9.686 -2.562 -11.844 433 HA VAL 59 HA VAL 59 -8.813 -0.551 -13.876 434 HB VAL 59 HB VAL 59 -7.390 0.512 -12.189 435 HG11 VAL 59 1HG1 VAL 59 -9.811 0.542 -10.577 436 HG12 VAL 59 2HG1 VAL 59 -10.187 0.630 -12.298 437 HG13 VAL 59 3HG1 VAL 59 -9.115 1.825 -11.568 438 HG21 VAL 59 1HG2 VAL 59 -8.616 -1.546 -10.325 439 HG22 VAL 59 2HG2 VAL 59 -7.639 -0.177 -9.796 440 HG23 VAL 59 3HG2 VAL 59 -6.920 -1.439 -10.795 441 H GLU 60 H GLU 60 -6.465 -0.682 -14.336 442 HA GLU 60 HA GLU 60 -5.533 -3.494 -14.122 443 HB2 GLU 60 2HB GLU 60 -5.564 -2.388 -16.359 444 HB3 GLU 60 1HB GLU 60 -4.396 -1.214 -15.763 445 HG2 GLU 60 2HG GLU 60 -2.836 -3.062 -15.248 446 HG3 GLU 60 1HG GLU 60 -3.992 -4.202 -15.925 447 H LEU 61 H LEU 61 -3.687 -4.039 -12.988 448 HA LEU 61 HA LEU 61 -2.472 -1.865 -11.365 449 HB2 LEU 61 2HB LEU 61 -2.204 -4.860 -10.999 450 HB3 LEU 61 1HB LEU 61 -1.770 -3.604 -9.843 451 HG LEU 61 HG LEU 61 -4.545 -4.305 -10.805 452 HD11 LEU 61 1HD1 LEU 61 -4.644 -5.554 -8.941 453 HD12 LEU 61 2HD1 LEU 61 -4.206 -4.155 -7.961 454 HD13 LEU 61 3HD1 LEU 61 -2.946 -5.191 -8.632 455 HD21 LEU 61 1HD2 LEU 61 -3.475 -1.934 -9.288 456 HD22 LEU 61 2HD2 LEU 61 -5.123 -2.500 -9.011 457 HD23 LEU 61 3HD2 LEU 61 -4.633 -1.964 -10.618 458 H SER 62 H SER 62 -0.271 -1.439 -11.476 459 HA SER 62 HA SER 62 1.380 -3.176 -13.237 460 HB2 SER 62 2HB SER 62 0.538 -0.456 -13.779 461 HB3 SER 62 1HB SER 62 2.292 -0.548 -13.656 462 HG SER 62 HG SER 62 0.570 -2.091 -15.305 463 HA PRO 63 HA PRO 63 4.429 -2.870 -10.082 464 HB2 PRO 63 2HB PRO 63 6.733 -2.512 -11.593 465 HB3 PRO 63 1HB PRO 63 5.954 -4.072 -11.283 466 HG2 PRO 63 2HG PRO 63 5.837 -2.339 -13.685 467 HG3 PRO 63 1HG PRO 63 5.817 -4.105 -13.560 468 HD2 PRO 63 2HD PRO 63 3.571 -2.643 -14.064 469 HD3 PRO 63 1HD PRO 63 3.533 -4.190 -13.189 470 H GLU 64 H GLU 64 4.485 -0.352 -12.550 471 HA GLU 64 HA GLU 64 6.213 1.475 -11.187 472 HB2 GLU 64 2HB GLU 64 3.979 1.987 -13.154 473 HB3 GLU 64 1HB GLU 64 5.146 3.197 -12.642 474 HG2 GLU 64 2HG GLU 64 6.972 1.744 -13.471 475 HG3 GLU 64 1HG GLU 64 5.769 0.596 -14.048 476 H HIS 65 H HIS 65 2.772 0.793 -10.901 477 HA HIS 65 HA HIS 65 2.112 3.139 -9.367 478 HB2 HIS 65 2HB HIS 65 0.412 1.716 -10.494 479 HB3 HIS 65 1HB HIS 65 0.760 0.424 -9.344 480 HD1 HIS 65 1HD HIS 65 -0.090 4.148 -9.099 481 HD2 HIS 65 2HD HIS 65 -0.974 0.537 -7.207 482 HE1 HIS 65 1HE HIS 65 -1.726 4.693 -7.241 483 HE2 HIS 65 2HE HIS 65 -2.271 2.503 -6.085 484 H PHE 66 H PHE 66 3.549 0.058 -8.547 485 HA PHE 66 HA PHE 66 3.253 0.657 -5.650 486 HB2 PHE 66 2HB PHE 66 4.277 -1.802 -7.100 487 HB3 PHE 66 1HB PHE 66 4.180 -1.643 -5.345 488 HD1 PHE 66 1HD PHE 66 2.303 -2.154 -8.439 489 HD2 PHE 66 2HD PHE 66 1.976 -1.401 -4.223 490 HE1 PHE 66 1HE PHE 66 -0.089 -2.807 -8.507 491 HE2 PHE 66 2HE PHE 66 -0.416 -2.056 -4.291 492 HZ PHE 66 HZ PHE 66 -1.449 -2.757 -6.433 493 H ARG 67 H ARG 67 5.276 1.619 -7.976 494 HA ARG 67 HA ARG 67 7.891 0.966 -7.137 495 HB2 ARG 67 2HB ARG 67 7.314 2.251 -9.208 496 HB3 ARG 67 1HB ARG 67 6.947 3.648 -8.201 497 HG2 ARG 67 2HG ARG 67 9.162 4.059 -8.836 498 HG3 ARG 67 1HG ARG 67 9.363 3.281 -7.270 499 HD2 ARG 67 2HD ARG 67 9.739 1.110 -8.390 500 HD3 ARG 67 1HD ARG 67 9.537 1.890 -9.957 501 HE ARG 67 HE ARG 67 11.891 2.096 -8.214 502 HH11 ARG 67 1HH1 ARG 67 13.636 3.205 -9.127 503 HH12 ARG 67 2HH1 ARG 67 13.398 4.128 -10.572 504 HH21 ARG 67 1HH2 ARG 67 10.025 3.363 -10.821 505 HH22 ARG 67 2HH2 ARG 67 11.353 4.219 -11.531 506 H SER 68 H SER 68 5.654 3.437 -5.915 507 HA SER 68 HA SER 68 7.430 3.702 -3.530 508 HB2 SER 68 2HB SER 68 7.099 6.111 -3.499 509 HB3 SER 68 1HB SER 68 7.749 5.651 -5.071 510 HG SER 68 HG SER 68 6.030 6.957 -5.486 511 H ILE 69 H ILE 69 6.287 4.248 -1.576 512 HA ILE 69 HA ILE 69 3.705 3.070 -1.319 513 HB ILE 69 HB ILE 69 5.120 5.028 0.512 514 HG12 ILE 69 2HG1 ILE 69 5.049 2.008 0.579 515 HG13 ILE 69 1HG1 ILE 69 6.391 2.946 -0.056 516 HG21 ILE 69 1HG2 ILE 69 3.519 3.115 1.862 517 HG22 ILE 69 2HG2 ILE 69 2.526 3.845 0.602 518 HG23 ILE 69 3HG2 ILE 69 3.305 4.863 1.812 519 HD11 ILE 69 1HD1 ILE 69 6.015 2.192 2.611 520 HD12 ILE 69 2HD1 ILE 69 5.594 3.904 2.566 521 HD13 ILE 69 3HD1 ILE 69 7.181 3.372 2.011 522 H ARG 70 H ARG 70 4.754 6.427 -1.742 523 HA ARG 70 HA ARG 70 2.273 7.696 -1.187 524 HB2 ARG 70 2HB ARG 70 4.442 8.888 -1.481 525 HB3 ARG 70 1HB ARG 70 4.361 8.550 -3.211 526 HG2 ARG 70 2HG ARG 70 2.244 9.788 -3.373 527 HG3 ARG 70 1HG ARG 70 2.284 10.102 -1.637 528 HD2 ARG 70 2HD ARG 70 3.145 12.066 -2.743 529 HD3 ARG 70 1HD ARG 70 4.510 11.246 -1.984 530 HE ARG 70 HE ARG 70 4.306 10.255 -4.628 531 HH11 ARG 70 1HH1 ARG 70 5.638 11.109 -6.241 532 HH12 ARG 70 2HH1 ARG 70 6.339 12.678 -6.027 533 HH21 ARG 70 1HH2 ARG 70 4.895 13.189 -2.916 534 HH22 ARG 70 2HH2 ARG 70 5.918 13.856 -4.144 535 H SER 71 H SER 71 3.499 6.238 -4.193 536 HA SER 71 HA SER 71 1.463 7.166 -5.935 537 HB2 SER 71 2HB SER 71 3.520 5.915 -6.639 538 HB3 SER 71 1HB SER 71 2.793 4.442 -6.005 539 HG SER 71 HG SER 71 2.127 5.973 -8.245 540 H ILE 72 H ILE 72 1.525 4.292 -3.822 541 HA ILE 72 HA ILE 72 -0.988 3.230 -4.626 542 HB ILE 72 HB ILE 72 0.382 3.086 -1.923 543 HG12 ILE 72 2HG1 ILE 72 0.479 1.176 -4.281 544 HG13 ILE 72 1HG1 ILE 72 1.763 2.312 -3.866 545 HG21 ILE 72 1HG2 ILE 72 -2.144 2.115 -2.886 546 HG22 ILE 72 2HG2 ILE 72 -1.424 1.917 -1.289 547 HG23 ILE 72 3HG2 ILE 72 -1.080 0.747 -2.561 548 HD11 ILE 72 1HD1 ILE 72 0.869 -0.151 -2.409 549 HD12 ILE 72 2HD1 ILE 72 1.569 1.178 -1.486 550 HD13 ILE 72 3HD1 ILE 72 2.504 0.404 -2.764 551 H ASP 73 H ASP 73 -0.099 5.626 -2.164 552 HA ASP 73 HA ASP 73 -2.635 5.913 -0.934 553 HB2 ASP 73 2HB ASP 73 -0.468 6.966 -0.168 554 HB3 ASP 73 1HB ASP 73 -0.663 8.153 -1.459 555 H ALA 74 H ALA 74 -1.337 7.327 -3.913 556 HA ALA 74 HA ALA 74 -3.445 9.187 -4.381 557 HB1 ALA 74 1HB ALA 74 -1.461 9.357 -5.718 558 HB2 ALA 74 2HB ALA 74 -2.764 8.912 -6.820 559 HB3 ALA 74 3HB ALA 74 -1.616 7.690 -6.271 560 H PHE 75 H PHE 75 -3.104 5.755 -5.255 561 HA PHE 75 HA PHE 75 -5.512 5.585 -6.791 562 HB2 PHE 75 2HB PHE 75 -3.772 3.817 -6.771 563 HB3 PHE 75 1HB PHE 75 -4.225 3.423 -5.116 564 HD1 PHE 75 1HD PHE 75 -6.206 2.164 -4.620 565 HD2 PHE 75 2HD PHE 75 -5.418 3.496 -8.627 566 HE1 PHE 75 1HE PHE 75 -8.039 0.721 -5.459 567 HE2 PHE 75 2HE PHE 75 -7.251 2.053 -9.467 568 HZ PHE 75 HZ PHE 75 -8.563 0.666 -7.883 569 H VAL 76 H VAL 76 -4.897 4.951 -3.333 570 HA VAL 76 HA VAL 76 -7.585 4.251 -2.684 571 HB VAL 76 HB VAL 76 -5.330 5.403 -1.025 572 HG11 VAL 76 1HG1 VAL 76 -6.745 4.527 0.901 573 HG12 VAL 76 2HG1 VAL 76 -8.082 4.432 -0.243 574 HG13 VAL 76 3HG1 VAL 76 -7.343 5.990 0.120 575 HG21 VAL 76 1HG2 VAL 76 -4.823 3.192 -1.804 576 HG22 VAL 76 2HG2 VAL 76 -6.463 2.631 -1.481 577 HG23 VAL 76 3HG2 VAL 76 -5.379 3.009 -0.142 578 H VAL 77 H VAL 77 -5.866 7.378 -2.602 579 HA VAL 77 HA VAL 77 -7.973 8.912 -1.477 580 HB VAL 77 HB VAL 77 -5.728 9.633 -3.370 581 HG11 VAL 77 1HG1 VAL 77 -6.978 11.487 -3.772 582 HG12 VAL 77 2HG1 VAL 77 -6.463 11.964 -2.155 583 HG13 VAL 77 3HG1 VAL 77 -8.031 11.195 -2.390 584 HG21 VAL 77 1HG2 VAL 77 -5.830 9.038 -0.616 585 HG22 VAL 77 2HG2 VAL 77 -5.700 10.795 -0.712 586 HG23 VAL 77 3HG2 VAL 77 -4.488 9.776 -1.489 587 H GLY 78 H GLY 78 -7.230 8.071 -4.843 588 HA2 GLY 78 2HA GLY 78 -9.208 9.693 -6.082 589 HA3 GLY 78 1HA GLY 78 -8.532 8.225 -6.780 590 H ALA 79 H ALA 79 -9.491 6.538 -4.505 591 HA ALA 79 HA ALA 79 -12.328 6.396 -5.397 592 HB1 ALA 79 1HB ALA 79 -10.433 4.344 -4.253 593 HB2 ALA 79 2HB ALA 79 -11.203 4.348 -5.840 594 HB3 ALA 79 3HB ALA 79 -12.166 4.048 -4.393 595 H THR 80 H THR 80 -10.374 6.064 -2.429 596 HA THR 80 HA THR 80 -12.782 6.975 -0.901 597 HB THR 80 HB THR 80 -12.323 5.416 0.842 598 HG1 THR 80 1HG THR 80 -10.352 4.859 1.215 599 HG21 THR 80 1HG2 THR 80 -12.305 3.228 -0.337 600 HG22 THR 80 2HG2 THR 80 -11.836 4.055 -1.822 601 HG23 THR 80 3HG2 THR 80 -13.407 4.380 -1.091 602 H THR 81 H THR 81 -12.248 8.210 1.041 603 HA THR 81 HA THR 81 -9.421 9.119 1.189 604 HB THR 81 HB THR 81 -10.694 10.717 -0.220 605 HG1 THR 81 1HG THR 81 -9.462 11.278 2.156 606 HG21 THR 81 1HG2 THR 81 -12.774 10.174 1.492 607 HG22 THR 81 2HG2 THR 81 -12.725 11.536 0.372 608 HG23 THR 81 3HG2 THR 81 -12.246 11.760 2.055 609 HA PRO 82 HA PRO 82 -11.071 8.116 5.390 610 HB2 PRO 82 2HB PRO 82 -8.226 7.615 5.955 611 HB3 PRO 82 1HB PRO 82 -9.615 6.531 6.147 612 HG2 PRO 82 2HG PRO 82 -7.740 6.194 4.242 613 HG3 PRO 82 1HG PRO 82 -9.430 5.705 4.036 614 HD2 PRO 82 2HD PRO 82 -8.006 8.082 2.907 615 HD3 PRO 82 1HD PRO 82 -9.300 7.092 2.194 616 HA PRO 83 HA PRO 83 -9.890 11.668 7.763 617 HB2 PRO 83 2HB PRO 83 -8.290 10.144 9.742 618 HB3 PRO 83 1HB PRO 83 -9.728 11.150 9.991 619 HG2 PRO 83 2HG PRO 83 -9.819 8.480 10.134 620 HG3 PRO 83 1HG PRO 83 -11.173 9.442 9.520 621 HD2 PRO 83 2HD PRO 83 -9.198 7.788 8.004 622 HD3 PRO 83 1HD PRO 83 -10.913 8.100 7.656 623 H VAL 84 H VAL 84 -8.162 13.196 8.008 624 HA VAL 84 HA VAL 84 -5.692 12.411 6.593 625 HB VAL 84 HB VAL 84 -6.538 15.119 7.666 626 HG11 VAL 84 1HG1 VAL 84 -4.181 14.082 6.205 627 HG12 VAL 84 2HG1 VAL 84 -4.335 15.514 7.221 628 HG13 VAL 84 3HG1 VAL 84 -4.882 15.560 5.546 629 HG21 VAL 84 1HG2 VAL 84 -7.229 13.589 5.220 630 HG22 VAL 84 2HG2 VAL 84 -6.771 15.273 4.961 631 HG23 VAL 84 3HG2 VAL 84 -8.119 14.878 6.029 632 H GLU 85 H GLU 85 -3.827 11.957 7.632 633 HA GLU 85 HA GLU 85 -3.412 12.997 10.384 634 HB2 GLU 85 2HB GLU 85 -4.296 10.654 10.515 635 HB3 GLU 85 1HB GLU 85 -2.906 10.120 9.569 636 HG2 GLU 85 2HG GLU 85 -1.397 11.072 11.312 637 HG3 GLU 85 1HG GLU 85 -2.816 11.481 12.277 638 H ALA 86 H ALA 86 -1.185 13.340 10.879 639 HA ALA 86 HA ALA 86 0.525 13.976 8.705 640 HB1 ALA 86 1HB ALA 86 0.864 13.649 11.649 641 HB2 ALA 86 2HB ALA 86 1.258 15.025 10.619 642 HB3 ALA 86 3HB ALA 86 2.330 13.626 10.668 643 H LYS 87 H LYS 87 2.082 12.788 7.607 644 HA LYS 87 HA LYS 87 1.839 9.959 7.473 645 HB2 LYS 87 2HB LYS 87 2.841 11.436 5.697 646 HB3 LYS 87 1HB LYS 87 4.280 11.585 6.706 647 HG2 LYS 87 2HG LYS 87 4.543 9.120 6.674 648 HG3 LYS 87 1HG LYS 87 3.133 8.994 5.623 649 HD2 LYS 87 2HD LYS 87 4.323 10.506 3.987 650 HD3 LYS 87 1HD LYS 87 5.762 10.359 4.996 651 HE2 LYS 87 2HE LYS 87 5.997 8.687 3.311 652 HE3 LYS 87 1HE LYS 87 5.490 7.824 4.765 653 HZ1 LYS 87 1HZ LYS 87 3.941 6.996 3.390 654 HZ2 LYS 87 2HZ LYS 87 4.062 8.279 2.284 655 HZ3 LYS 87 3HZ LYS 87 3.134 8.455 3.696 656 H LEU 88 H LEU 88 4.030 12.022 9.339 657 HA LEU 88 HA LEU 88 5.385 9.637 10.454 658 HB2 LEU 88 2HB LEU 88 5.822 12.572 11.083 659 HB3 LEU 88 1HB LEU 88 6.878 11.232 11.533 660 HG LEU 88 HG LEU 88 6.245 12.153 8.713 661 HD11 LEU 88 1HD1 LEU 88 8.873 12.344 8.843 662 HD12 LEU 88 2HD1 LEU 88 8.578 12.446 10.579 663 HD13 LEU 88 3HD1 LEU 88 7.864 13.637 9.492 664 HD21 LEU 88 1HD2 LEU 88 8.186 10.410 8.310 665 HD22 LEU 88 2HD2 LEU 88 6.521 9.849 8.454 666 HD23 LEU 88 3HD2 LEU 88 7.615 9.724 9.831 667 H GLN 89 H GLN 89 5.130 8.974 12.596 668 HA GLN 89 HA GLN 89 2.714 9.975 13.956 669 HB2 GLN 89 2HB GLN 89 3.208 7.526 13.787 670 HB3 GLN 89 1HB GLN 89 4.629 7.780 14.801 671 HG2 GLN 89 2HG GLN 89 3.203 8.643 16.610 672 HG3 GLN 89 1HG GLN 89 1.775 8.425 15.598 673 HE21 GLN 89 1HE2 GLN 89 1.717 7.035 17.964 674 HE22 GLN 89 2HE2 GLN 89 2.012 5.383 17.710 675 H1 PN7 101 3HO SAT 101 3.131 -6.033 -13.716 676 H2 PN7 101 1H1 SAT 101 4.838 -7.972 -9.152 677 H3 PN7 101 2H1 SAT 101 3.171 -8.201 -9.680 678 H5 PN7 101 1HE1 SAT 101 5.890 -6.146 -12.236 679 H6 PN7 101 2HE1 SAT 101 6.059 -7.874 -11.932 680 H7 PN7 101 3HE1 SAT 101 6.454 -6.713 -10.666 681 H8 PN7 101 2HE2 SAT 101 3.831 -4.893 -11.035 682 H9 PN7 101 3HE2 SAT 101 4.819 -5.366 -9.654 683 H10 PN7 101 1HE2 SAT 101 3.109 -5.792 -9.701 684 H11 PN7 101 3H SAT 101 3.362 -8.246 -12.414 685 H12 PN7 101 5H SAT 101 1.175 -5.010 -12.448 686 H13 PN7 101 1H6 SAT 101 1.045 -5.637 -14.740 687 H14 PN7 101 2H6 SAT 101 1.847 -7.157 -14.340 688 H15 PN7 101 1H7 SAT 101 -1.002 -6.573 -14.551 689 H16 PN7 101 2H7 SAT 101 -0.598 -7.294 -12.993 690 H17 PN7 101 9H SAT 101 0.503 -9.433 -13.038 691 H18 PN7 101 1H10 SAT 101 0.196 -11.185 -15.266 692 H19 PN7 101 2H10 SAT 101 -0.066 -11.643 -13.583 693 H20 PN7 101 1H11 SAT 101 -2.106 -10.139 -15.243 694 H21 PN7 101 2H11 SAT 101 -2.349 -10.859 -13.651 695 H22 PN7 101 2HS1 SAT 101 -2.315 -12.389 -16.323 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -1.565 12.116 1.268 2 H2 MET 1 2HT MET 1 -1.744 10.635 0.456 3 H3 MET 1 3HT MET 1 -0.319 11.543 0.272 4 HA MET 1 HA MET 1 -0.310 9.517 1.844 5 HB2 MET 1 2HB MET 1 0.722 12.255 2.647 6 HB3 MET 1 1HB MET 1 1.279 10.728 3.334 7 HG2 MET 1 2HG MET 1 1.874 9.987 1.003 8 HG3 MET 1 1HG MET 1 1.503 11.618 0.448 9 HE1 MET 1 1HE MET 1 2.703 13.337 3.206 10 HE2 MET 1 2HE MET 1 2.271 13.622 1.523 11 HE3 MET 1 3HE MET 1 3.922 13.917 2.063 12 H GLN 2 H GLN 2 -2.967 11.018 2.121 13 HA GLN 2 HA GLN 2 -3.355 11.812 4.822 14 HB2 GLN 2 2HB GLN 2 -5.290 10.513 2.881 15 HB3 GLN 2 1HB GLN 2 -5.760 11.268 4.403 16 HG2 GLN 2 2HG GLN 2 -4.835 13.413 3.649 17 HG3 GLN 2 1HG GLN 2 -4.308 12.669 2.139 18 HE21 GLN 2 1HE2 GLN 2 -6.147 14.854 2.119 19 HE22 GLN 2 2HE2 GLN 2 -7.655 14.286 1.586 20 H HIS 3 H HIS 3 -3.473 8.612 3.299 21 HA HIS 3 HA HIS 3 -3.608 7.421 6.043 22 HB2 HIS 3 2HB HIS 3 -4.834 5.537 5.107 23 HB3 HIS 3 1HB HIS 3 -5.679 7.027 4.690 24 HD1 HIS 3 1HD HIS 3 -5.134 7.989 2.205 25 HD2 HIS 3 2HD HIS 3 -4.095 4.010 2.906 26 HE1 HIS 3 1HE HIS 3 -4.790 6.926 -0.070 27 HE2 HIS 3 2HE HIS 3 -4.153 4.506 0.346 28 H ALA 4 H ALA 4 -1.324 8.181 4.177 29 HA ALA 4 HA ALA 4 -0.158 5.848 3.051 30 HB1 ALA 4 1HB ALA 4 1.034 7.693 2.388 31 HB2 ALA 4 2HB ALA 4 2.037 7.244 3.767 32 HB3 ALA 4 3HB ALA 4 0.824 8.512 3.936 33 H SER 5 H SER 5 -0.137 7.084 6.367 34 HA SER 5 HA SER 5 1.906 5.408 7.408 35 HB2 SER 5 2HB SER 5 0.775 7.296 8.641 36 HB3 SER 5 1HB SER 5 -0.624 6.248 8.851 37 HG SER 5 HG SER 5 1.687 6.320 10.230 38 H VAL 6 H VAL 6 -1.569 4.815 6.967 39 HA VAL 6 HA VAL 6 -1.559 2.202 8.164 40 HB VAL 6 HB VAL 6 -3.385 3.451 6.105 41 HG11 VAL 6 1HG1 VAL 6 -4.946 1.575 6.815 42 HG12 VAL 6 2HG1 VAL 6 -3.550 0.812 7.577 43 HG13 VAL 6 3HG1 VAL 6 -3.571 1.070 5.832 44 HG21 VAL 6 1HG2 VAL 6 -4.554 2.864 8.670 45 HG22 VAL 6 2HG2 VAL 6 -4.370 4.430 7.879 46 HG23 VAL 6 3HG2 VAL 6 -3.078 3.803 8.902 47 H ILE 7 H ILE 7 -1.019 3.370 4.869 48 HA ILE 7 HA ILE 7 -0.967 0.858 3.552 49 HB ILE 7 HB ILE 7 0.653 3.354 2.970 50 HG12 ILE 7 2HG1 ILE 7 -1.978 2.400 1.793 51 HG13 ILE 7 1HG1 ILE 7 -1.849 3.621 3.060 52 HG21 ILE 7 1HG2 ILE 7 1.677 1.859 1.560 53 HG22 ILE 7 2HG2 ILE 7 0.254 2.176 0.569 54 HG23 ILE 7 3HG2 ILE 7 0.316 0.739 1.588 55 HD11 ILE 7 1HD1 ILE 7 -1.457 3.905 0.195 56 HD12 ILE 7 2HD1 ILE 7 -0.035 4.447 1.088 57 HD13 ILE 7 3HD1 ILE 7 -1.613 5.156 1.428 58 H ALA 8 H ALA 8 1.740 2.722 4.965 59 HA ALA 8 HA ALA 8 3.721 0.711 4.464 60 HB1 ALA 8 1HB ALA 8 4.734 2.714 5.017 61 HB2 ALA 8 2HB ALA 8 4.768 1.939 6.601 62 HB3 ALA 8 3HB ALA 8 3.510 3.117 6.221 63 H GLN 9 H GLN 9 1.648 1.396 7.252 64 HA GLN 9 HA GLN 9 2.672 -0.686 8.939 65 HB2 GLN 9 2HB GLN 9 1.280 1.204 9.760 66 HB3 GLN 9 1HB GLN 9 -0.101 0.547 8.882 67 HG2 GLN 9 2HG GLN 9 0.905 -1.606 10.383 68 HG3 GLN 9 1HG GLN 9 0.943 -0.222 11.473 69 HE21 GLN 9 1HE2 GLN 9 -1.288 -1.753 9.081 70 HE22 GLN 9 2HE2 GLN 9 -2.697 -1.414 9.965 71 H PHE 10 H PHE 10 0.058 -0.570 6.565 72 HA PHE 10 HA PHE 10 -1.058 -3.132 7.073 73 HB2 PHE 10 2HB PHE 10 -2.002 -1.278 5.612 74 HB3 PHE 10 1HB PHE 10 -0.861 -1.788 4.369 75 HD1 PHE 10 1HD PHE 10 -3.828 -2.743 6.334 76 HD2 PHE 10 2HD PHE 10 -1.156 -3.882 3.172 77 HE1 PHE 10 1HE PHE 10 -5.416 -4.515 5.634 78 HE2 PHE 10 2HE PHE 10 -2.743 -5.656 2.471 79 HZ PHE 10 HZ PHE 10 -4.875 -5.968 3.700 80 H VAL 11 H VAL 11 1.385 -2.171 4.651 81 HA VAL 11 HA VAL 11 1.874 -4.901 3.821 82 HB VAL 11 HB VAL 11 2.284 -2.964 2.342 83 HG11 VAL 11 1HG1 VAL 11 4.027 -1.403 2.738 84 HG12 VAL 11 2HG1 VAL 11 4.718 -2.382 4.031 85 HG13 VAL 11 3HG1 VAL 11 3.185 -1.545 4.280 86 HG21 VAL 11 1HG2 VAL 11 4.737 -4.610 3.033 87 HG22 VAL 11 2HG2 VAL 11 4.552 -3.668 1.556 88 HG23 VAL 11 3HG2 VAL 11 3.482 -5.034 1.870 89 H VAL 12 H VAL 12 3.759 -2.617 5.830 90 HA VAL 12 HA VAL 12 5.916 -4.375 6.396 91 HB VAL 12 HB VAL 12 4.757 -2.087 7.979 92 HG11 VAL 12 1HG1 VAL 12 5.949 -3.197 9.641 93 HG12 VAL 12 2HG1 VAL 12 7.217 -2.196 8.935 94 HG13 VAL 12 3HG1 VAL 12 7.089 -3.899 8.493 95 HG21 VAL 12 1HG2 VAL 12 6.357 -2.275 5.622 96 HG22 VAL 12 2HG2 VAL 12 7.378 -1.651 6.916 97 HG23 VAL 12 3HG2 VAL 12 5.881 -0.820 6.494 98 H GLU 13 H GLU 13 2.791 -4.023 8.015 99 HA GLU 13 HA GLU 13 3.392 -5.533 10.342 100 HB2 GLU 13 2HB GLU 13 1.304 -4.224 10.030 101 HB3 GLU 13 1HB GLU 13 0.757 -5.423 8.866 102 HG2 GLU 13 2HG GLU 13 0.956 -7.170 10.644 103 HG3 GLU 13 1HG GLU 13 1.348 -5.889 11.789 104 H GLU 14 H GLU 14 2.500 -6.559 7.096 105 HA GLU 14 HA GLU 14 2.013 -9.307 7.734 106 HB2 GLU 14 2HB GLU 14 1.316 -8.198 5.612 107 HB3 GLU 14 1HB GLU 14 3.009 -8.152 5.119 108 HG2 GLU 14 2HG GLU 14 3.109 -10.631 5.350 109 HG3 GLU 14 1HG GLU 14 1.387 -10.637 5.728 110 H PHE 15 H PHE 15 4.997 -7.572 6.876 111 HA PHE 15 HA PHE 15 6.472 -10.152 7.023 112 HB2 PHE 15 2HB PHE 15 7.545 -7.433 6.236 113 HB3 PHE 15 1HB PHE 15 8.304 -9.003 5.965 114 HD1 PHE 15 1HD PHE 15 7.342 -10.602 4.317 115 HD2 PHE 15 2HD PHE 15 5.742 -6.662 4.875 116 HE1 PHE 15 1HE PHE 15 6.084 -10.810 2.187 117 HE2 PHE 15 2HE PHE 15 4.481 -6.865 2.758 118 HZ PHE 15 HZ PHE 15 4.653 -8.939 1.405 119 H LEU 16 H LEU 16 6.951 -6.807 8.269 120 HA LEU 16 HA LEU 16 8.228 -8.063 10.675 121 HB2 LEU 16 2HB LEU 16 9.207 -6.069 8.801 122 HB3 LEU 16 1HB LEU 16 9.239 -5.472 10.458 123 HG LEU 16 HG LEU 16 10.419 -7.550 11.156 124 HD11 LEU 16 1HD1 LEU 16 9.796 -8.241 8.362 125 HD12 LEU 16 2HD1 LEU 16 10.126 -9.298 9.735 126 HD13 LEU 16 3HD1 LEU 16 11.462 -8.586 8.830 127 HD21 LEU 16 1HD2 LEU 16 12.311 -6.844 9.131 128 HD22 LEU 16 2HD2 LEU 16 12.276 -6.322 10.815 129 HD23 LEU 16 3HD2 LEU 16 11.432 -5.384 9.584 130 HA PRO 17 HA PRO 17 4.941 -5.345 12.340 131 HB2 PRO 17 2HB PRO 17 3.687 -7.266 13.833 132 HB3 PRO 17 1HB PRO 17 3.321 -6.957 12.129 133 HG2 PRO 17 2HG PRO 17 4.646 -9.234 13.335 134 HG3 PRO 17 1HG PRO 17 3.996 -9.043 11.702 135 HD2 PRO 17 2HD PRO 17 6.770 -8.842 12.582 136 HD3 PRO 17 1HD PRO 17 6.124 -8.861 10.926 137 H ASP 18 H ASP 18 7.318 -7.419 13.789 138 HA ASP 18 HA ASP 18 6.832 -6.610 16.540 139 HB2 ASP 18 2HB ASP 18 9.193 -7.924 15.188 140 HB3 ASP 18 1HB ASP 18 9.085 -7.652 16.922 141 H VAL 19 H VAL 19 8.001 -5.009 13.888 142 HA VAL 19 HA VAL 19 9.715 -3.202 15.547 143 HB VAL 19 HB VAL 19 9.680 -3.516 12.526 144 HG11 VAL 19 1HG1 VAL 19 11.995 -2.337 12.989 145 HG12 VAL 19 2HG1 VAL 19 11.204 -1.821 14.479 146 HG13 VAL 19 3HG1 VAL 19 10.517 -1.377 12.916 147 HG21 VAL 19 1HG2 VAL 19 11.608 -4.870 12.706 148 HG22 VAL 19 2HG2 VAL 19 10.555 -5.484 13.982 149 HG23 VAL 19 3HG2 VAL 19 11.888 -4.401 14.383 150 H ALA 20 H ALA 20 9.181 -0.939 15.458 151 HA ALA 20 HA ALA 20 6.438 -0.331 15.055 152 HB1 ALA 20 1HB ALA 20 8.929 1.296 15.392 153 HB2 ALA 20 2HB ALA 20 7.496 1.225 16.418 154 HB3 ALA 20 3HB ALA 20 7.447 2.112 14.894 155 HA PRO 21 HA PRO 21 6.798 -0.334 10.538 156 HB2 PRO 21 2HB PRO 21 4.100 0.529 10.230 157 HB3 PRO 21 1HB PRO 21 4.740 -1.109 10.037 158 HG2 PRO 21 2HG PRO 21 3.113 -0.063 12.138 159 HG3 PRO 21 1HG PRO 21 3.681 -1.719 11.894 160 HD2 PRO 21 2HD PRO 21 4.567 0.174 13.856 161 HD3 PRO 21 1HD PRO 21 5.149 -1.480 13.592 162 H ALA 22 H ALA 22 5.677 2.275 12.553 163 HA ALA 22 HA ALA 22 5.564 4.292 10.485 164 HB1 ALA 22 1HB ALA 22 4.554 5.318 12.219 165 HB2 ALA 22 2HB ALA 22 6.156 5.574 12.910 166 HB3 ALA 22 3HB ALA 22 5.218 4.151 13.364 167 H ASP 23 H ASP 23 8.171 2.722 12.084 168 HA ASP 23 HA ASP 23 10.022 4.981 11.673 169 HB2 ASP 23 2HB ASP 23 11.701 3.559 12.711 170 HB3 ASP 23 1HB ASP 23 10.227 3.499 13.675 171 H VAL 24 H VAL 24 8.657 2.824 9.639 172 HA VAL 24 HA VAL 24 11.021 1.934 8.188 173 HB VAL 24 HB VAL 24 9.446 1.088 6.550 174 HG11 VAL 24 1HG1 VAL 24 9.121 0.621 9.412 175 HG12 VAL 24 2HG1 VAL 24 9.177 -0.541 8.087 176 HG13 VAL 24 3HG1 VAL 24 7.656 0.248 8.502 177 HG21 VAL 24 1HG2 VAL 24 6.907 1.676 7.389 178 HG22 VAL 24 2HG2 VAL 24 7.743 2.525 6.089 179 HG23 VAL 24 3HG2 VAL 24 7.744 3.193 7.722 180 H ASP 25 H ASP 25 11.922 2.924 6.365 181 HA ASP 25 HA ASP 25 11.529 5.754 6.076 182 HB2 ASP 25 2HB ASP 25 12.907 3.738 4.278 183 HB3 ASP 25 1HB ASP 25 12.981 5.485 4.044 184 H VAL 26 H VAL 26 9.184 5.846 5.724 185 HA VAL 26 HA VAL 26 7.885 4.596 3.502 186 HB VAL 26 HB VAL 26 6.095 6.193 3.865 187 HG11 VAL 26 1HG1 VAL 26 6.546 6.194 6.635 188 HG12 VAL 26 2HG1 VAL 26 7.411 4.780 6.036 189 HG13 VAL 26 3HG1 VAL 26 5.688 4.962 5.710 190 HG21 VAL 26 1HG2 VAL 26 8.341 7.848 4.791 191 HG22 VAL 26 2HG2 VAL 26 6.933 7.926 5.849 192 HG23 VAL 26 3HG2 VAL 26 6.777 8.340 4.142 193 H ASP 27 H ASP 27 10.447 6.575 3.313 194 HA ASP 27 HA ASP 27 9.462 8.073 0.929 195 HB2 ASP 27 2HB ASP 27 11.982 8.366 2.595 196 HB3 ASP 27 1HB ASP 27 11.644 9.304 1.140 197 H LEU 28 H LEU 28 10.613 5.133 1.522 198 HA LEU 28 HA LEU 28 12.641 5.086 -0.650 199 HB2 LEU 28 2HB LEU 28 13.095 3.910 1.519 200 HB3 LEU 28 1HB LEU 28 11.737 2.844 1.178 201 HG LEU 28 HG LEU 28 12.959 2.416 -1.093 202 HD11 LEU 28 1HD1 LEU 28 15.084 3.158 -1.348 203 HD12 LEU 28 2HD1 LEU 28 15.508 2.780 0.321 204 HD13 LEU 28 3HD1 LEU 28 14.696 4.297 -0.059 205 HD21 LEU 28 1HD2 LEU 28 12.720 0.627 0.460 206 HD22 LEU 28 2HD2 LEU 28 13.826 1.379 1.611 207 HD23 LEU 28 3HD2 LEU 28 14.447 0.700 0.106 208 H ASP 29 H ASP 29 12.226 4.113 -2.610 209 HA ASP 29 HA ASP 29 9.525 3.696 -3.422 210 HB2 ASP 29 2HB ASP 29 12.118 2.698 -4.643 211 HB3 ASP 29 1HB ASP 29 10.546 2.607 -5.436 212 H LEU 30 H LEU 30 8.223 2.008 -2.902 213 HA LEU 30 HA LEU 30 9.249 -0.264 -1.454 214 HB2 LEU 30 2HB LEU 30 6.840 -1.133 -1.881 215 HB3 LEU 30 1HB LEU 30 7.038 0.318 -0.897 216 HG LEU 30 HG LEU 30 6.876 0.886 -3.770 217 HD11 LEU 30 1HD1 LEU 30 4.416 0.472 -3.873 218 HD12 LEU 30 2HD1 LEU 30 4.523 -0.377 -2.331 219 HD13 LEU 30 3HD1 LEU 30 5.348 -1.019 -3.752 220 HD21 LEU 30 1HD2 LEU 30 5.363 1.819 -1.309 221 HD22 LEU 30 2HD2 LEU 30 5.229 2.548 -2.908 222 HD23 LEU 30 3HD2 LEU 30 6.760 2.613 -2.036 223 H VAL 31 H VAL 31 9.738 0.360 -4.591 224 HA VAL 31 HA VAL 31 8.823 -1.898 -6.027 225 HB VAL 31 HB VAL 31 11.431 -0.367 -6.277 226 HG11 VAL 31 1HG1 VAL 31 10.203 -2.538 -7.983 227 HG12 VAL 31 2HG1 VAL 31 11.844 -2.449 -7.341 228 HG13 VAL 31 3HG1 VAL 31 11.347 -1.372 -8.645 229 HG21 VAL 31 1HG2 VAL 31 10.066 1.194 -7.156 230 HG22 VAL 31 2HG2 VAL 31 8.678 0.112 -7.075 231 HG23 VAL 31 3HG2 VAL 31 9.746 0.071 -8.477 232 H ASP 32 H ASP 32 11.719 -1.480 -4.027 233 HA ASP 32 HA ASP 32 12.858 -4.053 -4.418 234 HB2 ASP 32 2HB ASP 32 12.807 -2.300 -1.937 235 HB3 ASP 32 1HB ASP 32 13.818 -3.735 -2.110 236 H ASN 33 H ASN 33 10.227 -2.910 -2.402 237 HA ASN 33 HA ASN 33 9.792 -5.533 -1.163 238 HB2 ASN 33 2HB ASN 33 8.078 -3.041 -1.116 239 HB3 ASN 33 1HB ASN 33 7.877 -4.454 -0.083 240 HD21 ASN 33 1HD2 ASN 33 8.878 -1.439 0.246 241 HD22 ASN 33 2HD2 ASN 33 10.204 -1.626 1.288 242 H GLY 34 H GLY 34 9.541 -4.759 -4.174 243 HA2 GLY 34 2HA GLY 34 6.979 -4.865 -5.180 244 HA3 GLY 34 1HA GLY 34 8.308 -5.755 -5.924 245 H VAL 35 H VAL 35 8.429 -7.179 -3.127 246 HA VAL 35 HA VAL 35 7.205 -9.606 -3.864 247 HB VAL 35 HB VAL 35 7.728 -8.414 -1.123 248 HG11 VAL 35 1HG1 VAL 35 7.621 -11.155 -0.803 249 HG12 VAL 35 2HG1 VAL 35 6.276 -10.847 -1.902 250 HG13 VAL 35 3HG1 VAL 35 6.345 -10.029 -0.340 251 HG21 VAL 35 1HG2 VAL 35 9.136 -10.694 -2.526 252 HG22 VAL 35 2HG2 VAL 35 9.698 -9.754 -1.143 253 HG23 VAL 35 3HG2 VAL 35 9.631 -9.014 -2.743 254 H ILE 36 H ILE 36 5.880 -6.814 -2.143 255 HA ILE 36 HA ILE 36 3.306 -7.999 -1.587 256 HB ILE 36 HB ILE 36 4.430 -5.853 -0.587 257 HG12 ILE 36 2HG1 ILE 36 1.515 -6.141 -1.344 258 HG13 ILE 36 1HG1 ILE 36 2.284 -6.542 0.188 259 HG21 ILE 36 1HG2 ILE 36 2.825 -4.540 -2.775 260 HG22 ILE 36 2HG2 ILE 36 4.536 -4.904 -3.009 261 HG23 ILE 36 3HG2 ILE 36 4.033 -3.818 -1.712 262 HD11 ILE 36 1HD1 ILE 36 2.926 -3.899 -0.024 263 HD12 ILE 36 2HD1 ILE 36 1.511 -4.499 0.837 264 HD13 ILE 36 3HD1 ILE 36 1.356 -3.926 -0.823 265 H ASP 37 H ASP 37 4.744 -6.451 -4.330 266 HA ASP 37 HA ASP 37 2.461 -5.538 -5.710 267 HB2 ASP 37 2HB ASP 37 4.872 -5.143 -6.342 268 HB3 ASP 37 1HB ASP 37 4.893 -6.777 -7.008 269 H SER 38 H SER 38 3.778 -8.826 -5.500 270 HA SER 38 HA SER 38 1.631 -9.718 -7.360 271 HB2 SER 38 2HB SER 38 4.369 -10.533 -6.921 272 HB3 SER 38 1HB SER 38 3.277 -11.902 -6.747 273 H LEU 39 H LEU 39 3.202 -11.113 -4.457 274 HA LEU 39 HA LEU 39 0.878 -12.701 -3.859 275 HB2 LEU 39 2HB LEU 39 3.400 -12.058 -2.364 276 HB3 LEU 39 1HB LEU 39 2.114 -12.993 -1.606 277 HG LEU 39 HG LEU 39 3.935 -14.349 -2.772 278 HD11 LEU 39 1HD1 LEU 39 1.091 -14.670 -2.735 279 HD12 LEU 39 2HD1 LEU 39 2.331 -15.922 -2.737 280 HD13 LEU 39 3HD1 LEU 39 1.696 -15.309 -4.263 281 HD21 LEU 39 1HD2 LEU 39 3.945 -14.449 -5.165 282 HD22 LEU 39 2HD2 LEU 39 4.008 -12.737 -4.747 283 HD23 LEU 39 3HD2 LEU 39 2.489 -13.460 -5.279 284 H GLY 40 H GLY 40 2.263 -9.851 -2.210 285 HA2 GLY 40 2HA GLY 40 0.117 -9.619 -0.327 286 HA3 GLY 40 1HA GLY 40 1.237 -8.329 -0.745 287 H LEU 41 H LEU 41 0.626 -8.242 -3.546 288 HA LEU 41 HA LEU 41 -1.543 -6.415 -3.549 289 HB2 LEU 41 2HB LEU 41 0.250 -6.620 -5.313 290 HB3 LEU 41 1HB LEU 41 -0.580 -8.054 -5.911 291 HG LEU 41 HG LEU 41 -2.250 -5.612 -5.548 292 HD11 LEU 41 1HD1 LEU 41 -0.321 -5.913 -7.869 293 HD12 LEU 41 2HD1 LEU 41 -0.123 -4.756 -6.554 294 HD13 LEU 41 3HD1 LEU 41 -1.501 -4.623 -7.645 295 HD21 LEU 41 1HD2 LEU 41 -3.243 -7.658 -6.438 296 HD22 LEU 41 2HD2 LEU 41 -1.990 -7.769 -7.673 297 HD23 LEU 41 3HD2 LEU 41 -3.169 -6.461 -7.725 298 H LEU 42 H LEU 42 -1.423 -9.878 -4.325 299 HA LEU 42 HA LEU 42 -4.145 -10.110 -5.172 300 HB2 LEU 42 2HB LEU 42 -2.403 -11.894 -5.467 301 HB3 LEU 42 1HB LEU 42 -2.476 -12.193 -3.738 302 HG LEU 42 HG LEU 42 -4.954 -12.609 -3.993 303 HD11 LEU 42 1HD1 LEU 42 -5.864 -12.012 -5.962 304 HD12 LEU 42 2HD1 LEU 42 -5.034 -13.390 -6.682 305 HD13 LEU 42 3HD1 LEU 42 -4.277 -11.800 -6.697 306 HD21 LEU 42 1HD2 LEU 42 -3.351 -14.461 -3.803 307 HD22 LEU 42 2HD2 LEU 42 -3.045 -14.392 -5.538 308 HD23 LEU 42 3HD2 LEU 42 -4.630 -14.881 -4.941 309 H LYS 43 H LYS 43 -2.614 -10.442 -1.973 310 HA LYS 43 HA LYS 43 -5.057 -11.034 -0.575 311 HB2 LYS 43 2HB LYS 43 -2.448 -9.853 0.391 312 HB3 LYS 43 1HB LYS 43 -3.741 -10.414 1.445 313 HG2 LYS 43 2HG LYS 43 -3.568 -12.671 0.389 314 HG3 LYS 43 1HG LYS 43 -2.188 -12.091 -0.545 315 HD2 LYS 43 2HD LYS 43 -1.032 -11.527 1.601 316 HD3 LYS 43 1HD LYS 43 -2.378 -12.254 2.477 317 HE2 LYS 43 2HE LYS 43 -1.479 -14.069 0.429 318 HE3 LYS 43 1HE LYS 43 -0.106 -13.571 1.417 319 HZ1 LYS 43 1HZ LYS 43 -2.492 -14.155 2.923 320 HZ2 LYS 43 2HZ LYS 43 -0.888 -14.655 3.187 321 HZ3 LYS 43 3HZ LYS 43 -1.873 -15.493 2.083 322 H VAL 44 H VAL 44 -3.309 -8.028 -1.280 323 HA VAL 44 HA VAL 44 -4.940 -6.302 0.315 324 HB VAL 44 HB VAL 44 -3.338 -5.758 -2.195 325 HG11 VAL 44 1HG1 VAL 44 -4.718 -3.899 -0.243 326 HG12 VAL 44 2HG1 VAL 44 -4.973 -4.005 -1.984 327 HG13 VAL 44 3HG1 VAL 44 -3.453 -3.369 -1.353 328 HG21 VAL 44 1HG2 VAL 44 -2.494 -6.461 0.335 329 HG22 VAL 44 2HG2 VAL 44 -2.474 -4.699 0.410 330 HG23 VAL 44 3HG2 VAL 44 -1.538 -5.540 -0.826 331 H ILE 45 H ILE 45 -5.154 -7.205 -3.128 332 HA ILE 45 HA ILE 45 -7.403 -5.576 -3.750 333 HB ILE 45 HB ILE 45 -6.057 -7.943 -4.936 334 HG12 ILE 45 2HG1 ILE 45 -5.998 -6.526 -6.880 335 HG13 ILE 45 1HG1 ILE 45 -7.226 -5.455 -6.208 336 HG21 ILE 45 1HG2 ILE 45 -8.945 -7.230 -5.469 337 HG22 ILE 45 2HG2 ILE 45 -8.265 -8.815 -5.096 338 HG23 ILE 45 3HG2 ILE 45 -7.946 -8.063 -6.658 339 HD11 ILE 45 1HD1 ILE 45 -4.766 -5.862 -4.581 340 HD12 ILE 45 2HD1 ILE 45 -5.743 -4.411 -4.797 341 HD13 ILE 45 3HD1 ILE 45 -4.602 -4.900 -6.048 342 H ALA 46 H ALA 46 -7.233 -8.987 -2.708 343 HA ALA 46 HA ALA 46 -10.065 -9.411 -2.663 344 HB1 ALA 46 1HB ALA 46 -7.694 -10.740 -1.378 345 HB2 ALA 46 2HB ALA 46 -8.809 -11.384 -2.584 346 HB3 ALA 46 3HB ALA 46 -9.325 -11.217 -0.906 347 H TRP 47 H TRP 47 -7.774 -8.373 -0.143 348 HA TRP 47 HA TRP 47 -9.783 -8.221 1.931 349 HB2 TRP 47 2HB TRP 47 -7.662 -8.369 2.843 350 HB3 TRP 47 1HB TRP 47 -6.944 -7.339 1.606 351 HD1 TRP 47 HD TRP 47 -8.937 -7.172 4.864 352 HE1 TRP 47 1HE TRP 47 -8.762 -4.778 5.810 353 HE3 TRP 47 3HE TRP 47 -6.559 -4.867 0.984 354 HZ2 TRP 47 2HZ TRP 47 -7.739 -2.221 5.017 355 HZ3 TRP 47 3HZ TRP 47 -5.992 -2.461 1.102 356 HH2 TRP 47 HH TRP 47 -6.579 -1.139 3.109 357 H LEU 48 H LEU 48 -8.367 -5.873 -0.324 358 HA LEU 48 HA LEU 48 -9.557 -3.540 0.757 359 HB2 LEU 48 2HB LEU 48 -7.808 -3.620 -1.058 360 HB3 LEU 48 1HB LEU 48 -9.065 -4.125 -2.174 361 HG LEU 48 HG LEU 48 -10.326 -2.010 -1.331 362 HD11 LEU 48 1HD1 LEU 48 -8.121 -1.847 0.300 363 HD12 LEU 48 2HD1 LEU 48 -9.184 -0.495 -0.089 364 HD13 LEU 48 3HD1 LEU 48 -7.697 -0.741 -1.004 365 HD21 LEU 48 1HD2 LEU 48 -9.792 -1.766 -3.540 366 HD22 LEU 48 2HD2 LEU 48 -8.146 -2.355 -3.303 367 HD23 LEU 48 3HD2 LEU 48 -8.549 -0.680 -2.916 368 H GLU 49 H GLU 49 -10.771 -5.778 -1.749 369 HA GLU 49 HA GLU 49 -13.272 -4.407 -2.112 370 HB2 GLU 49 2HB GLU 49 -12.511 -5.962 -3.802 371 HB3 GLU 49 1HB GLU 49 -12.444 -7.276 -2.642 372 HG2 GLU 49 2HG GLU 49 -14.888 -7.136 -2.348 373 HG3 GLU 49 1HG GLU 49 -14.952 -5.828 -3.518 374 H ASP 50 H ASP 50 -12.217 -7.022 0.019 375 HA ASP 50 HA ASP 50 -14.797 -7.622 1.109 376 HB2 ASP 50 2HB ASP 50 -12.736 -9.051 1.300 377 HB3 ASP 50 1HB ASP 50 -12.123 -7.896 2.482 378 H ARG 51 H ARG 51 -12.313 -5.269 2.014 379 HA ARG 51 HA ARG 51 -13.759 -4.509 4.445 380 HB2 ARG 51 2HB ARG 51 -11.279 -4.476 4.320 381 HB3 ARG 51 1HB ARG 51 -11.381 -3.176 3.132 382 HG2 ARG 51 2HG ARG 51 -12.601 -1.780 4.776 383 HG3 ARG 51 1HG ARG 51 -12.451 -3.072 5.967 384 HD2 ARG 51 2HD ARG 51 -9.968 -2.934 5.748 385 HD3 ARG 51 1HD ARG 51 -10.170 -1.564 4.657 386 HE ARG 51 HE ARG 51 -10.551 -0.222 6.550 387 HH11 ARG 51 1HH1 ARG 51 -10.963 0.123 8.746 388 HH12 ARG 51 2HH1 ARG 51 -11.369 -1.222 9.759 389 HH21 ARG 51 1HH2 ARG 51 -11.166 -3.552 7.198 390 HH22 ARG 51 2HH2 ARG 51 -11.483 -3.303 8.882 391 H PHE 52 H PHE 52 -12.938 -2.749 1.400 392 HA PHE 52 HA PHE 52 -14.887 -0.676 2.197 393 HB2 PHE 52 2HB PHE 52 -12.942 -0.841 -0.116 394 HB3 PHE 52 1HB PHE 52 -13.982 0.538 0.226 395 HD1 PHE 52 1HD PHE 52 -13.694 1.837 2.341 396 HD2 PHE 52 2HD PHE 52 -10.966 -1.270 1.179 397 HE1 PHE 52 1HE PHE 52 -12.030 2.688 3.971 398 HE2 PHE 52 2HE PHE 52 -9.301 -0.419 2.808 399 HZ PHE 52 HZ PHE 52 -9.834 1.560 4.204 400 H GLY 53 H GLY 53 -15.001 -3.539 0.424 401 HA2 GLY 53 2HA GLY 53 -16.739 -4.383 -0.938 402 HA3 GLY 53 1HA GLY 53 -17.637 -2.904 -0.593 403 H ILE 54 H ILE 54 -14.406 -2.671 -1.857 404 HA ILE 54 HA ILE 54 -15.509 -1.430 -4.314 405 HB ILE 54 HB ILE 54 -12.656 -1.586 -3.293 406 HG12 ILE 54 2HG1 ILE 54 -14.581 0.754 -3.244 407 HG13 ILE 54 1HG1 ILE 54 -14.322 -0.312 -1.864 408 HG21 ILE 54 1HG2 ILE 54 -13.979 -0.324 -5.669 409 HG22 ILE 54 2HG2 ILE 54 -12.413 -1.128 -5.559 410 HG23 ILE 54 3HG2 ILE 54 -12.613 0.503 -4.918 411 HD11 ILE 54 1HD1 ILE 54 -12.898 1.712 -1.729 412 HD12 ILE 54 2HD1 ILE 54 -12.157 1.278 -3.270 413 HD13 ILE 54 3HD1 ILE 54 -11.930 0.243 -1.859 414 H ALA 55 H ALA 55 -15.014 -2.206 -6.397 415 HA ALA 55 HA ALA 55 -14.723 -5.020 -6.702 416 HB1 ALA 55 1HB ALA 55 -15.724 -3.508 -8.416 417 HB2 ALA 55 2HB ALA 55 -14.479 -4.560 -9.090 418 HB3 ALA 55 3HB ALA 55 -14.116 -2.868 -8.752 419 H ALA 56 H ALA 56 -12.925 -6.260 -7.426 420 HA ALA 56 HA ALA 56 -10.437 -5.679 -6.233 421 HB1 ALA 56 1HB ALA 56 -9.611 -7.393 -8.070 422 HB2 ALA 56 2HB ALA 56 -11.337 -7.577 -8.376 423 HB3 ALA 56 3HB ALA 56 -10.683 -7.930 -6.776 424 H ASP 57 H ASP 57 -11.698 -4.818 -9.400 425 HA ASP 57 HA ASP 57 -10.803 -3.474 -11.102 426 HB2 ASP 57 2HB ASP 57 -9.247 -2.403 -8.740 427 HB3 ASP 57 1HB ASP 57 -9.306 -1.635 -10.323 428 H ASP 58 H ASP 58 -9.695 -6.006 -11.027 429 HA ASP 58 HA ASP 58 -6.757 -5.660 -11.204 430 HB2 ASP 58 2HB ASP 58 -8.526 -8.103 -11.379 431 HB3 ASP 58 1HB ASP 58 -6.773 -8.144 -11.544 432 H VAL 59 H VAL 59 -8.987 -4.743 -13.209 433 HA VAL 59 HA VAL 59 -8.739 -6.218 -15.606 434 HB VAL 59 HB VAL 59 -9.041 -3.228 -15.283 435 HG11 VAL 59 1HG1 VAL 59 -8.707 -4.839 -17.609 436 HG12 VAL 59 2HG1 VAL 59 -9.106 -3.124 -17.529 437 HG13 VAL 59 3HG1 VAL 59 -10.394 -4.327 -17.558 438 HG21 VAL 59 1HG2 VAL 59 -10.913 -4.023 -14.189 439 HG22 VAL 59 2HG2 VAL 59 -10.903 -5.551 -15.070 440 HG23 VAL 59 3HG2 VAL 59 -11.510 -4.089 -15.847 441 H GLU 60 H GLU 60 -6.708 -3.567 -14.366 442 HA GLU 60 HA GLU 60 -4.554 -4.527 -16.185 443 HB2 GLU 60 2HB GLU 60 -5.373 -1.630 -15.834 444 HB3 GLU 60 1HB GLU 60 -3.966 -2.184 -16.735 445 HG2 GLU 60 2HG GLU 60 -5.459 -3.493 -18.212 446 HG3 GLU 60 1HG GLU 60 -6.847 -2.852 -17.343 447 H LEU 61 H LEU 61 -2.619 -4.687 -15.129 448 HA LEU 61 HA LEU 61 -2.280 -3.162 -12.590 449 HB2 LEU 61 2HB LEU 61 -1.524 -6.060 -13.053 450 HB3 LEU 61 1HB LEU 61 -1.224 -5.142 -11.578 451 HG LEU 61 HG LEU 61 -3.871 -4.701 -11.845 452 HD11 LEU 61 1HD1 LEU 61 -3.344 -7.438 -13.040 453 HD12 LEU 61 2HD1 LEU 61 -4.107 -6.070 -13.851 454 HD13 LEU 61 3HD1 LEU 61 -4.924 -6.865 -12.506 455 HD21 LEU 61 1HD2 LEU 61 -2.352 -6.953 -10.535 456 HD22 LEU 61 2HD2 LEU 61 -4.099 -6.809 -10.339 457 HD23 LEU 61 3HD2 LEU 61 -3.041 -5.509 -9.793 458 H SER 62 H SER 62 -0.213 -2.317 -12.290 459 HA SER 62 HA SER 62 1.974 -3.253 -14.024 460 HB2 SER 62 2HB SER 62 0.437 -0.926 -14.659 461 HB3 SER 62 1HB SER 62 2.042 -0.402 -14.161 462 HG SER 62 HG SER 62 1.647 -1.058 -16.466 463 HA PRO 63 HA PRO 63 4.262 -2.391 -10.321 464 HB2 PRO 63 2HB PRO 63 6.731 -1.799 -11.436 465 HB3 PRO 63 1HB PRO 63 6.118 -3.437 -11.153 466 HG2 PRO 63 2HG PRO 63 6.201 -1.851 -13.660 467 HG3 PRO 63 1HG PRO 63 6.420 -3.592 -13.411 468 HD2 PRO 63 2HD PRO 63 4.113 -2.538 -14.399 469 HD3 PRO 63 1HD PRO 63 4.145 -4.020 -13.418 470 H GLU 64 H GLU 64 4.126 -0.046 -12.899 471 HA GLU 64 HA GLU 64 5.498 2.116 -11.649 472 HB2 GLU 64 2HB GLU 64 3.186 2.144 -13.591 473 HB3 GLU 64 1HB GLU 64 4.147 3.554 -13.169 474 HG2 GLU 64 2HG GLU 64 6.175 2.374 -13.962 475 HG3 GLU 64 1HG GLU 64 5.166 1.018 -14.455 476 H HIS 65 H HIS 65 2.226 0.882 -11.257 477 HA HIS 65 HA HIS 65 1.190 3.163 -9.836 478 HB2 HIS 65 2HB HIS 65 -0.243 1.392 -10.842 479 HB3 HIS 65 1HB HIS 65 0.346 0.256 -9.628 480 HD1 HIS 65 1HD HIS 65 -0.581 0.461 -7.246 481 HD2 HIS 65 2HD HIS 65 -1.944 3.474 -9.790 482 HE1 HIS 65 1HE HIS 65 -2.435 1.665 -6.006 483 HE2 HIS 65 2HE HIS 65 -3.271 3.499 -7.544 484 H PHE 66 H PHE 66 3.158 0.433 -8.899 485 HA PHE 66 HA PHE 66 2.881 1.202 -6.032 486 HB2 PHE 66 2HB PHE 66 4.066 -1.279 -7.315 487 HB3 PHE 66 1HB PHE 66 3.968 -0.985 -5.578 488 HD1 PHE 66 1HD PHE 66 1.800 -0.937 -4.420 489 HD2 PHE 66 2HD PHE 66 2.076 -1.786 -8.622 490 HE1 PHE 66 1HE PHE 66 -0.534 -1.777 -4.403 491 HE2 PHE 66 2HE PHE 66 -0.257 -2.627 -8.605 492 HZ PHE 66 HZ PHE 66 -1.562 -2.621 -6.496 493 H ARG 67 H ARG 67 4.667 2.252 -8.454 494 HA ARG 67 HA ARG 67 7.376 1.817 -7.836 495 HB2 ARG 67 2HB ARG 67 6.568 3.066 -9.829 496 HB3 ARG 67 1HB ARG 67 6.112 4.408 -8.786 497 HG2 ARG 67 2HG ARG 67 8.233 5.029 -9.615 498 HG3 ARG 67 1HG ARG 67 8.584 4.381 -8.019 499 HD2 ARG 67 2HD ARG 67 9.239 2.236 -8.983 500 HD3 ARG 67 1HD ARG 67 8.772 2.788 -10.590 501 HE ARG 67 HE ARG 67 10.792 4.020 -10.696 502 HH11 ARG 67 1HH1 ARG 67 12.801 4.634 -9.858 503 HH12 ARG 67 2HH1 ARG 67 13.148 4.359 -8.184 504 HH21 ARG 67 1HH2 ARG 67 10.063 2.926 -7.510 505 HH22 ARG 67 2HH2 ARG 67 11.597 3.391 -6.854 506 H SER 68 H SER 68 5.075 4.084 -6.363 507 HA SER 68 HA SER 68 6.888 4.296 -4.036 508 HB2 SER 68 2HB SER 68 6.914 6.713 -4.034 509 HB3 SER 68 1HB SER 68 7.472 6.173 -5.614 510 HG SER 68 HG SER 68 5.953 7.647 -6.086 511 H ILE 69 H ILE 69 5.774 5.127 -2.126 512 HA ILE 69 HA ILE 69 3.083 4.225 -1.876 513 HB ILE 69 HB ILE 69 4.633 6.167 -0.137 514 HG12 ILE 69 2HG1 ILE 69 4.246 3.184 0.144 515 HG13 ILE 69 1HG1 ILE 69 5.697 3.932 -0.504 516 HG21 ILE 69 1HG2 ILE 69 3.068 5.346 1.616 517 HG22 ILE 69 2HG2 ILE 69 2.175 4.489 0.363 518 HG23 ILE 69 3HG2 ILE 69 2.259 6.251 0.338 519 HD11 ILE 69 1HD1 ILE 69 6.082 5.115 1.588 520 HD12 ILE 69 2HD1 ILE 69 5.903 3.394 1.925 521 HD13 ILE 69 3HD1 ILE 69 4.566 4.499 2.244 522 H ARG 70 H ARG 70 4.465 7.431 -2.490 523 HA ARG 70 HA ARG 70 2.097 8.958 -2.113 524 HB2 ARG 70 2HB ARG 70 4.382 9.918 -2.414 525 HB3 ARG 70 1HB ARG 70 4.312 9.471 -4.119 526 HG2 ARG 70 2HG ARG 70 2.331 10.888 -4.431 527 HG3 ARG 70 1HG ARG 70 2.352 11.313 -2.719 528 HD2 ARG 70 2HD ARG 70 3.426 13.109 -3.925 529 HD3 ARG 70 1HD ARG 70 4.682 12.223 -3.059 530 HE ARG 70 HE ARG 70 4.567 11.021 -5.573 531 HH11 ARG 70 1HH1 ARG 70 5.902 11.695 -7.268 532 HH12 ARG 70 2HH1 ARG 70 6.547 13.303 -7.259 533 HH21 ARG 70 1HH2 ARG 70 5.026 14.178 -4.268 534 HH22 ARG 70 2HH2 ARG 70 6.050 14.709 -5.559 535 H SER 71 H SER 71 3.312 7.246 -4.995 536 HA SER 71 HA SER 71 1.322 8.184 -6.807 537 HB2 SER 71 2HB SER 71 3.385 6.877 -7.432 538 HB3 SER 71 1HB SER 71 2.599 5.434 -6.797 539 HG SER 71 HG SER 71 1.770 7.097 -8.942 540 H ILE 72 H ILE 72 1.356 5.352 -4.642 541 HA ILE 72 HA ILE 72 -1.218 4.367 -5.422 542 HB ILE 72 HB ILE 72 0.266 4.049 -2.796 543 HG12 ILE 72 2HG1 ILE 72 0.209 2.265 -5.252 544 HG13 ILE 72 1HG1 ILE 72 1.545 3.334 -4.824 545 HG21 ILE 72 1HG2 ILE 72 -1.567 2.930 -2.145 546 HG22 ILE 72 2HG2 ILE 72 -1.274 1.780 -3.449 547 HG23 ILE 72 3HG2 ILE 72 -2.319 3.173 -3.721 548 HD11 ILE 72 1HD1 ILE 72 1.362 2.064 -2.496 549 HD12 ILE 72 2HD1 ILE 72 2.277 1.372 -3.834 550 HD13 ILE 72 3HD1 ILE 72 0.640 0.808 -3.500 551 H ASP 73 H ASP 73 -0.148 6.636 -2.911 552 HA ASP 73 HA ASP 73 -2.580 6.895 -1.499 553 HB2 ASP 73 2HB ASP 73 -0.424 8.944 -2.077 554 HB3 ASP 73 1HB ASP 73 -1.715 9.169 -0.899 555 H ALA 74 H ALA 74 -1.467 8.579 -4.441 556 HA ALA 74 HA ALA 74 -3.730 10.341 -4.599 557 HB1 ALA 74 1HB ALA 74 -2.195 9.312 -6.988 558 HB2 ALA 74 2HB ALA 74 -1.496 10.491 -5.877 559 HB3 ALA 74 3HB ALA 74 -2.960 10.887 -6.778 560 H PHE 75 H PHE 75 -3.058 7.187 -6.116 561 HA PHE 75 HA PHE 75 -5.539 7.024 -7.534 562 HB2 PHE 75 2HB PHE 75 -3.547 5.567 -7.962 563 HB3 PHE 75 1HB PHE 75 -3.888 4.736 -6.447 564 HD1 PHE 75 1HD PHE 75 -5.165 5.450 -9.848 565 HD2 PHE 75 2HD PHE 75 -5.718 3.183 -6.242 566 HE1 PHE 75 1HE PHE 75 -6.828 4.017 -11.004 567 HE2 PHE 75 2HE PHE 75 -7.381 1.750 -7.398 568 HZ PHE 75 HZ PHE 75 -7.936 2.167 -9.778 569 H VAL 76 H VAL 76 -4.546 5.777 -4.345 570 HA VAL 76 HA VAL 76 -7.061 4.585 -3.704 571 HB VAL 76 HB VAL 76 -4.812 5.645 -1.974 572 HG11 VAL 76 1HG1 VAL 76 -6.668 5.666 -0.529 573 HG12 VAL 76 2HG1 VAL 76 -5.962 4.071 -0.268 574 HG13 VAL 76 3HG1 VAL 76 -7.390 4.249 -1.288 575 HG21 VAL 76 1HG2 VAL 76 -4.787 3.515 -3.634 576 HG22 VAL 76 2HG2 VAL 76 -5.513 2.760 -2.215 577 HG23 VAL 76 3HG2 VAL 76 -3.929 3.525 -2.093 578 H VAL 77 H VAL 77 -5.728 7.836 -3.072 579 HA VAL 77 HA VAL 77 -7.886 8.773 -1.468 580 HB VAL 77 HB VAL 77 -5.960 10.212 -3.307 581 HG11 VAL 77 1HG1 VAL 77 -7.588 11.827 -3.151 582 HG12 VAL 77 2HG1 VAL 77 -6.754 12.133 -1.628 583 HG13 VAL 77 3HG1 VAL 77 -8.235 11.177 -1.645 584 HG21 VAL 77 1HG2 VAL 77 -4.570 10.345 -1.495 585 HG22 VAL 77 2HG2 VAL 77 -5.472 8.930 -0.951 586 HG23 VAL 77 3HG2 VAL 77 -5.907 10.534 -0.361 587 H GLY 78 H GLY 78 -7.370 8.810 -4.984 588 HA2 GLY 78 2HA GLY 78 -9.615 10.376 -5.704 589 HA3 GLY 78 1HA GLY 78 -8.889 9.144 -6.734 590 H ALA 79 H ALA 79 -9.409 6.929 -4.888 591 HA ALA 79 HA ALA 79 -12.316 6.667 -5.443 592 HB1 ALA 79 1HB ALA 79 -10.032 4.770 -5.255 593 HB2 ALA 79 2HB ALA 79 -11.385 4.794 -6.388 594 HB3 ALA 79 3HB ALA 79 -11.614 4.175 -4.752 595 H THR 80 H THR 80 -9.971 5.980 -2.843 596 HA THR 80 HA THR 80 -12.224 6.285 -0.903 597 HB THR 80 HB THR 80 -9.937 4.324 -0.664 598 HG1 THR 80 1HG THR 80 -11.185 2.947 -1.621 599 HG21 THR 80 1HG2 THR 80 -10.579 4.748 1.524 600 HG22 THR 80 2HG2 THR 80 -11.695 3.449 1.104 601 HG23 THR 80 3HG2 THR 80 -12.242 5.125 1.069 602 H THR 81 H THR 81 -11.768 7.562 0.864 603 HA THR 81 HA THR 81 -8.943 8.468 1.203 604 HB THR 81 HB THR 81 -10.316 10.215 0.093 605 HG1 THR 81 1HG THR 81 -10.118 11.406 2.500 606 HG21 THR 81 1HG2 THR 81 -12.347 9.278 1.680 607 HG22 THR 81 2HG2 THR 81 -12.376 10.821 0.824 608 HG23 THR 81 3HG2 THR 81 -11.893 10.761 2.520 609 HA PRO 82 HA PRO 82 -10.482 6.691 5.178 610 HB2 PRO 82 2HB PRO 82 -7.613 6.323 5.704 611 HB3 PRO 82 1HB PRO 82 -8.913 5.121 5.690 612 HG2 PRO 82 2HG PRO 82 -7.002 5.264 3.784 613 HG3 PRO 82 1HG PRO 82 -8.637 4.654 3.485 614 HD2 PRO 82 2HD PRO 82 -7.442 7.289 2.734 615 HD3 PRO 82 1HD PRO 82 -8.671 6.319 1.890 616 HA PRO 83 HA PRO 83 -9.650 9.916 8.094 617 HB2 PRO 83 2HB PRO 83 -8.110 8.190 9.941 618 HB3 PRO 83 1HB PRO 83 -9.628 9.061 10.215 619 HG2 PRO 83 2HG PRO 83 -9.515 6.390 9.944 620 HG3 PRO 83 1HG PRO 83 -10.908 7.350 9.425 621 HD2 PRO 83 2HD PRO 83 -8.782 6.070 7.767 622 HD3 PRO 83 1HD PRO 83 -10.490 6.373 7.385 623 H VAL 84 H VAL 84 -8.032 11.454 8.698 624 HA VAL 84 HA VAL 84 -5.334 10.865 7.570 625 HB VAL 84 HB VAL 84 -6.534 13.540 8.347 626 HG11 VAL 84 1HG1 VAL 84 -3.980 12.632 7.065 627 HG12 VAL 84 2HG1 VAL 84 -4.242 13.907 8.255 628 HG13 VAL 84 3HG1 VAL 84 -4.679 14.172 6.568 629 HG21 VAL 84 1HG2 VAL 84 -7.705 13.478 6.426 630 HG22 VAL 84 2HG2 VAL 84 -7.137 11.834 6.135 631 HG23 VAL 84 3HG2 VAL 84 -6.214 13.207 5.523 632 H GLU 85 H GLU 85 -3.628 10.657 8.943 633 HA GLU 85 HA GLU 85 -3.856 11.801 11.680 634 HB2 GLU 85 2HB GLU 85 -2.922 8.992 11.018 635 HB3 GLU 85 1HB GLU 85 -2.887 9.730 12.620 636 HG2 GLU 85 2HG GLU 85 -5.357 10.029 12.503 637 HG3 GLU 85 1HG GLU 85 -5.360 9.198 10.947 638 H ALA 86 H ALA 86 -1.722 12.110 12.704 639 HA ALA 86 HA ALA 86 0.217 13.204 10.922 640 HB1 ALA 86 1HB ALA 86 -0.016 13.781 13.361 641 HB2 ALA 86 2HB ALA 86 1.642 13.429 12.874 642 HB3 ALA 86 3HB ALA 86 0.706 12.219 13.749 643 H LYS 87 H LYS 87 2.180 12.354 10.144 644 HA LYS 87 HA LYS 87 2.634 9.437 10.625 645 HB2 LYS 87 2HB LYS 87 1.565 9.888 8.388 646 HB3 LYS 87 1HB LYS 87 2.982 10.849 7.966 647 HG2 LYS 87 2HG LYS 87 4.424 8.865 8.376 648 HG3 LYS 87 1HG LYS 87 2.977 7.912 8.715 649 HD2 LYS 87 2HD LYS 87 2.128 8.460 6.432 650 HD3 LYS 87 1HD LYS 87 3.643 9.297 6.100 651 HE2 LYS 87 2HE LYS 87 3.100 6.526 5.810 652 HE3 LYS 87 1HE LYS 87 4.640 7.350 5.574 653 HZ1 LYS 87 1HZ LYS 87 5.057 7.135 7.957 654 HZ2 LYS 87 2HZ LYS 87 4.859 5.619 7.218 655 HZ3 LYS 87 3HZ LYS 87 3.601 6.287 8.145 656 H LEU 88 H LEU 88 4.738 8.944 11.109 657 HA LEU 88 HA LEU 88 6.674 11.181 11.166 658 HB2 LEU 88 2HB LEU 88 6.974 8.346 12.202 659 HB3 LEU 88 1HB LEU 88 8.032 9.711 12.560 660 HG LEU 88 HG LEU 88 5.109 9.451 13.328 661 HD11 LEU 88 1HD1 LEU 88 5.822 8.882 15.418 662 HD12 LEU 88 2HD1 LEU 88 7.223 9.950 15.338 663 HD13 LEU 88 3HD1 LEU 88 7.279 8.363 14.571 664 HD21 LEU 88 1HD2 LEU 88 5.326 11.744 12.980 665 HD22 LEU 88 2HD2 LEU 88 7.049 11.742 13.358 666 HD23 LEU 88 3HD2 LEU 88 5.861 11.614 14.656 667 H GLN 89 H GLN 89 8.591 11.179 9.971 668 HA GLN 89 HA GLN 89 8.716 10.129 7.424 669 HB2 GLN 89 2HB GLN 89 11.044 10.508 9.334 670 HB3 GLN 89 1HB GLN 89 11.198 10.315 7.587 671 HG2 GLN 89 2HG GLN 89 9.851 12.334 7.223 672 HG3 GLN 89 1HG GLN 89 9.632 12.518 8.964 673 HE21 GLN 89 1HE2 GLN 89 10.886 14.584 7.463 674 HE22 GLN 89 2HE2 GLN 89 12.526 14.657 7.895 675 H1 PN7 101 3HO SAT 101 2.716 -9.104 -13.632 676 H2 PN7 101 1H1 SAT 101 4.083 -8.244 -11.764 677 H3 PN7 101 2H1 SAT 101 4.017 -7.444 -10.195 678 H5 PN7 101 1HE1 SAT 101 3.762 -5.554 -11.559 679 H6 PN7 101 2HE1 SAT 101 2.480 -5.241 -10.388 680 H7 PN7 101 3HE1 SAT 101 2.155 -5.082 -12.114 681 H8 PN7 101 2HE2 SAT 101 1.383 -7.608 -9.543 682 H9 PN7 101 3HE2 SAT 101 0.455 -8.122 -10.951 683 H10 PN7 101 1HE2 SAT 101 0.485 -6.421 -10.489 684 H11 PN7 101 3H SAT 101 0.949 -7.140 -13.101 685 H12 PN7 101 5H SAT 101 2.639 -4.875 -13.797 686 H13 PN7 101 1H6 SAT 101 1.711 -6.407 -16.112 687 H14 PN7 101 2H6 SAT 101 1.859 -4.652 -16.022 688 H15 PN7 101 1H7 SAT 101 4.468 -5.283 -15.955 689 H16 PN7 101 2H7 SAT 101 3.597 -5.066 -17.474 690 H17 PN7 101 9H SAT 101 5.802 -7.028 -16.198 691 H18 PN7 101 1H10 SAT 101 6.389 -9.288 -16.666 692 H19 PN7 101 2H10 SAT 101 4.751 -9.561 -17.262 693 H20 PN7 101 1H11 SAT 101 5.393 -8.075 -19.251 694 H21 PN7 101 2H11 SAT 101 6.149 -9.667 -19.192 695 H22 PN7 101 2HS1 SAT 101 7.676 -7.132 -19.232 Start of MODEL 10 1 H1 MET 1 1HT MET 1 0.941 13.011 0.577 2 H2 MET 1 2HT MET 1 -0.610 13.319 1.197 3 H3 MET 1 3HT MET 1 -0.393 12.146 -0.013 4 HA MET 1 HA MET 1 0.303 10.572 1.410 5 HB2 MET 1 2HB MET 1 1.520 12.845 3.003 6 HB3 MET 1 1HB MET 1 1.643 11.143 3.451 7 HG2 MET 1 2HG MET 1 2.655 10.700 1.192 8 HG3 MET 1 1HG MET 1 2.691 12.442 0.924 9 HE1 MET 1 1HE MET 1 4.986 13.902 3.444 10 HE2 MET 1 2HE MET 1 3.460 13.400 4.167 11 HE3 MET 1 3HE MET 1 3.481 14.040 2.525 12 H GLN 2 H GLN 2 -2.199 12.119 1.439 13 HA GLN 2 HA GLN 2 -3.119 12.672 4.065 14 HB2 GLN 2 2HB GLN 2 -4.308 13.184 1.876 15 HB3 GLN 2 1HB GLN 2 -4.808 11.493 1.846 16 HG2 GLN 2 2HG GLN 2 -6.609 12.644 2.888 17 HG3 GLN 2 1HG GLN 2 -5.722 11.891 4.213 18 HE21 GLN 2 1HE2 GLN 2 -5.065 13.280 5.872 19 HE22 GLN 2 2HE2 GLN 2 -4.995 14.971 5.747 20 H HIS 3 H HIS 3 -3.075 9.623 2.230 21 HA HIS 3 HA HIS 3 -3.667 8.199 4.797 22 HB2 HIS 3 2HB HIS 3 -4.512 7.273 2.039 23 HB3 HIS 3 1HB HIS 3 -4.955 6.555 3.587 24 HD1 HIS 3 1HD HIS 3 -5.962 8.756 5.258 25 HD2 HIS 3 2HD HIS 3 -6.696 8.696 1.153 26 HE1 HIS 3 1HE HIS 3 -7.975 10.246 4.865 27 HE2 HIS 3 2HE HIS 3 -8.422 10.222 2.369 28 H ALA 4 H ALA 4 -1.223 8.889 2.892 29 HA ALA 4 HA ALA 4 -0.166 6.435 1.933 30 HB1 ALA 4 1HB ALA 4 1.117 9.002 2.857 31 HB2 ALA 4 2HB ALA 4 0.946 8.389 1.213 32 HB3 ALA 4 3HB ALA 4 2.092 7.635 2.319 33 H SER 5 H SER 5 -0.157 7.835 5.178 34 HA SER 5 HA SER 5 1.842 6.189 6.336 35 HB2 SER 5 2HB SER 5 0.819 6.708 8.471 36 HB3 SER 5 1HB SER 5 0.719 8.143 7.454 37 HG SER 5 HG SER 5 -1.351 8.018 7.732 38 H VAL 6 H VAL 6 -1.585 5.556 5.708 39 HA VAL 6 HA VAL 6 -1.653 3.031 7.105 40 HB VAL 6 HB VAL 6 -3.360 4.125 4.860 41 HG11 VAL 6 1HG1 VAL 6 -4.962 2.315 5.596 42 HG12 VAL 6 2HG1 VAL 6 -3.648 1.627 6.550 43 HG13 VAL 6 3HG1 VAL 6 -3.510 1.714 4.794 44 HG21 VAL 6 1HG2 VAL 6 -3.588 4.028 7.870 45 HG22 VAL 6 2HG2 VAL 6 -5.009 4.239 6.846 46 HG23 VAL 6 3HG2 VAL 6 -3.710 5.432 6.810 47 H ILE 7 H ILE 7 -0.885 4.000 3.799 48 HA ILE 7 HA ILE 7 -0.770 1.408 2.635 49 HB ILE 7 HB ILE 7 0.909 3.849 1.993 50 HG12 ILE 7 2HG1 ILE 7 -1.708 2.907 0.779 51 HG13 ILE 7 1HG1 ILE 7 -1.586 4.191 1.980 52 HG21 ILE 7 1HG2 ILE 7 1.896 2.022 0.858 53 HG22 ILE 7 2HG2 ILE 7 0.798 2.715 -0.334 54 HG23 ILE 7 3HG2 ILE 7 0.335 1.261 0.548 55 HD11 ILE 7 1HD1 ILE 7 0.266 5.029 0.165 56 HD12 ILE 7 2HD1 ILE 7 -1.420 5.539 0.149 57 HD13 ILE 7 3HD1 ILE 7 -0.888 4.224 -0.896 58 H ALA 8 H ALA 8 1.846 3.368 4.088 59 HA ALA 8 HA ALA 8 3.856 1.338 3.834 60 HB1 ALA 8 1HB ALA 8 5.098 3.084 4.528 61 HB2 ALA 8 2HB ALA 8 4.418 2.887 6.145 62 HB3 ALA 8 3HB ALA 8 3.641 3.968 4.987 63 H GLN 9 H GLN 9 1.737 2.257 6.532 64 HA GLN 9 HA GLN 9 2.650 0.265 8.365 65 HB2 GLN 9 2HB GLN 9 1.241 2.221 8.997 66 HB3 GLN 9 1HB GLN 9 -0.113 1.500 8.127 67 HG2 GLN 9 2HG GLN 9 0.759 -0.557 9.779 68 HG3 GLN 9 1HG GLN 9 0.920 0.878 10.788 69 HE21 GLN 9 1HE2 GLN 9 -1.458 -0.628 8.531 70 HE22 GLN 9 2HE2 GLN 9 -2.825 -0.135 9.411 71 H PHE 10 H PHE 10 0.009 0.281 6.007 72 HA PHE 10 HA PHE 10 -0.950 -2.357 6.591 73 HB2 PHE 10 2HB PHE 10 -2.205 -0.588 5.320 74 HB3 PHE 10 1HB PHE 10 -1.112 -0.855 3.963 75 HD1 PHE 10 1HD PHE 10 -3.713 -2.412 6.094 76 HD2 PHE 10 2HD PHE 10 -1.309 -2.790 2.556 77 HE1 PHE 10 1HE PHE 10 -5.109 -4.322 5.352 78 HE2 PHE 10 2HE PHE 10 -2.704 -4.702 1.813 79 HZ PHE 10 HZ PHE 10 -4.605 -5.465 3.210 80 H VAL 11 H VAL 11 1.317 -1.118 4.153 81 HA VAL 11 HA VAL 11 1.827 -3.656 2.913 82 HB VAL 11 HB VAL 11 3.426 -1.092 3.049 83 HG11 VAL 11 1HG1 VAL 11 4.348 -2.442 0.853 84 HG12 VAL 11 2HG1 VAL 11 4.123 -3.760 2.002 85 HG13 VAL 11 3HG1 VAL 11 5.171 -2.404 2.412 86 HG21 VAL 11 1HG2 VAL 11 1.131 -1.911 1.604 87 HG22 VAL 11 2HG2 VAL 11 2.468 -1.902 0.454 88 HG23 VAL 11 3HG2 VAL 11 2.079 -0.443 1.366 89 H VAL 12 H VAL 12 3.694 -1.827 5.353 90 HA VAL 12 HA VAL 12 5.725 -3.810 5.699 91 HB VAL 12 HB VAL 12 4.700 -1.648 7.532 92 HG11 VAL 12 1HG1 VAL 12 7.258 -2.204 8.346 93 HG12 VAL 12 2HG1 VAL 12 6.654 -3.816 7.964 94 HG13 VAL 12 3HG1 VAL 12 5.809 -2.813 9.145 95 HG21 VAL 12 1HG2 VAL 12 6.089 -0.276 6.393 96 HG22 VAL 12 2HG2 VAL 12 6.209 -1.556 5.186 97 HG23 VAL 12 3HG2 VAL 12 7.408 -1.443 6.473 98 H GLU 13 H GLU 13 2.579 -3.361 7.216 99 HA GLU 13 HA GLU 13 2.844 -5.149 9.382 100 HB2 GLU 13 2HB GLU 13 0.884 -3.667 9.004 101 HB3 GLU 13 1HB GLU 13 0.388 -4.709 7.678 102 HG2 GLU 13 2HG GLU 13 0.286 -6.625 9.278 103 HG3 GLU 13 1HG GLU 13 0.642 -5.494 10.581 104 H GLU 14 H GLU 14 2.210 -5.790 5.977 105 HA GLU 14 HA GLU 14 1.504 -8.550 6.290 106 HB2 GLU 14 2HB GLU 14 2.714 -7.073 3.938 107 HB3 GLU 14 1HB GLU 14 2.072 -8.715 3.862 108 HG2 GLU 14 2HG GLU 14 -0.131 -7.866 4.637 109 HG3 GLU 14 1HG GLU 14 0.517 -6.226 4.625 110 H PHE 15 H PHE 15 4.623 -6.906 6.070 111 HA PHE 15 HA PHE 15 5.959 -9.580 6.083 112 HB2 PHE 15 2HB PHE 15 7.223 -6.899 5.489 113 HB3 PHE 15 1HB PHE 15 7.905 -8.498 5.188 114 HD1 PHE 15 1HD PHE 15 5.477 -5.993 4.098 115 HD2 PHE 15 2HD PHE 15 7.034 -9.923 3.374 116 HE1 PHE 15 1HE PHE 15 4.342 -6.028 1.899 117 HE2 PHE 15 2HE PHE 15 5.907 -9.963 1.164 118 HZ PHE 15 HZ PHE 15 4.560 -8.017 0.425 119 H LEU 16 H LEU 16 6.531 -6.311 7.498 120 HA LEU 16 HA LEU 16 7.587 -7.734 9.919 121 HB2 LEU 16 2HB LEU 16 8.763 -5.697 8.205 122 HB3 LEU 16 1HB LEU 16 8.743 -5.203 9.895 123 HG LEU 16 HG LEU 16 10.806 -6.468 9.296 124 HD11 LEU 16 1HD1 LEU 16 9.611 -8.435 11.069 125 HD12 LEU 16 2HD1 LEU 16 9.126 -6.800 11.515 126 HD13 LEU 16 3HD1 LEU 16 10.838 -7.217 11.421 127 HD21 LEU 16 1HD2 LEU 16 9.327 -9.033 9.209 128 HD22 LEU 16 2HD2 LEU 16 10.755 -8.527 8.307 129 HD23 LEU 16 3HD2 LEU 16 9.152 -8.015 7.779 130 HA PRO 17 HA PRO 17 4.354 -4.919 11.547 131 HB2 PRO 17 2HB PRO 17 3.008 -6.917 12.930 132 HB3 PRO 17 1HB PRO 17 2.611 -6.368 11.296 133 HG2 PRO 17 2HG PRO 17 3.668 -8.889 12.105 134 HG3 PRO 17 1HG PRO 17 3.233 -8.343 10.483 135 HD2 PRO 17 2HD PRO 17 5.904 -8.526 11.719 136 HD3 PRO 17 1HD PRO 17 5.457 -8.420 10.001 137 H ASP 18 H ASP 18 6.497 -7.249 13.004 138 HA ASP 18 HA ASP 18 5.975 -6.487 15.760 139 HB2 ASP 18 2HB ASP 18 8.259 -7.972 14.451 140 HB3 ASP 18 1HB ASP 18 8.101 -7.752 16.190 141 H VAL 19 H VAL 19 7.385 -4.909 13.217 142 HA VAL 19 HA VAL 19 9.205 -3.340 14.999 143 HB VAL 19 HB VAL 19 9.231 -3.524 11.968 144 HG11 VAL 19 1HG1 VAL 19 10.117 -1.414 12.955 145 HG12 VAL 19 2HG1 VAL 19 11.376 -2.365 12.166 146 HG13 VAL 19 3HG1 VAL 19 11.240 -2.368 13.924 147 HG21 VAL 19 1HG2 VAL 19 11.275 -4.700 13.854 148 HG22 VAL 19 2HG2 VAL 19 11.031 -5.052 12.143 149 HG23 VAL 19 3HG2 VAL 19 9.868 -5.629 13.338 150 H ALA 20 H ALA 20 8.864 -1.057 15.040 151 HA ALA 20 HA ALA 20 6.213 -0.165 14.561 152 HB1 ALA 20 1HB ALA 20 8.478 1.788 14.488 153 HB2 ALA 20 2HB ALA 20 8.209 0.867 15.968 154 HB3 ALA 20 3HB ALA 20 6.932 1.902 15.327 155 HA PRO 21 HA PRO 21 6.768 0.093 10.066 156 HB2 PRO 21 2HB PRO 21 4.175 1.249 9.745 157 HB3 PRO 21 1HB PRO 21 4.669 -0.418 9.426 158 HG2 PRO 21 2HG PRO 21 3.049 0.570 11.544 159 HG3 PRO 21 1HG PRO 21 3.516 -1.098 11.193 160 HD2 PRO 21 2HD PRO 21 4.451 0.593 13.323 161 HD3 PRO 21 1HD PRO 21 4.897 -1.089 12.976 162 H ALA 22 H ALA 22 5.765 2.675 12.201 163 HA ALA 22 HA ALA 22 6.009 4.820 10.273 164 HB1 ALA 22 1HB ALA 22 4.738 5.320 12.218 165 HB2 ALA 22 2HB ALA 22 6.239 6.224 12.421 166 HB3 ALA 22 3HB ALA 22 5.997 4.710 13.293 167 H ASP 23 H ASP 23 8.269 2.859 11.908 168 HA ASP 23 HA ASP 23 10.433 4.860 11.823 169 HB2 ASP 23 2HB ASP 23 10.378 1.941 12.642 170 HB3 ASP 23 1HB ASP 23 11.824 2.950 12.689 171 H VAL 24 H VAL 24 8.924 3.253 9.500 172 HA VAL 24 HA VAL 24 11.324 2.226 8.100 173 HB VAL 24 HB VAL 24 8.424 2.289 7.204 174 HG11 VAL 24 1HG1 VAL 24 9.347 0.385 5.722 175 HG12 VAL 24 2HG1 VAL 24 10.943 1.016 6.130 176 HG13 VAL 24 3HG1 VAL 24 9.784 2.036 5.279 177 HG21 VAL 24 1HG2 VAL 24 9.930 -0.134 8.183 178 HG22 VAL 24 2HG2 VAL 24 8.186 0.104 8.053 179 HG23 VAL 24 3HG2 VAL 24 9.095 0.924 9.323 180 H ASP 25 H ASP 25 12.257 3.323 6.387 181 HA ASP 25 HA ASP 25 11.760 6.127 6.118 182 HB2 ASP 25 2HB ASP 25 13.238 4.191 4.310 183 HB3 ASP 25 1HB ASP 25 13.263 5.944 4.114 184 H VAL 26 H VAL 26 9.455 6.245 5.683 185 HA VAL 26 HA VAL 26 8.153 4.981 3.496 186 HB VAL 26 HB VAL 26 6.846 6.065 5.196 187 HG11 VAL 26 1HG1 VAL 26 8.684 8.328 4.596 188 HG12 VAL 26 2HG1 VAL 26 8.023 7.796 6.143 189 HG13 VAL 26 3HG1 VAL 26 7.029 8.747 5.040 190 HG21 VAL 26 1HG2 VAL 26 6.514 7.990 2.928 191 HG22 VAL 26 2HG2 VAL 26 5.283 7.125 3.846 192 HG23 VAL 26 3HG2 VAL 26 6.239 6.274 2.635 193 H ASP 27 H ASP 27 10.803 6.851 3.237 194 HA ASP 27 HA ASP 27 9.894 8.280 0.786 195 HB2 ASP 27 2HB ASP 27 12.440 8.504 2.425 196 HB3 ASP 27 1HB ASP 27 12.134 9.404 0.938 197 H LEU 28 H LEU 28 10.904 5.313 1.526 198 HA LEU 28 HA LEU 28 12.882 5.058 -0.679 199 HB2 LEU 28 2HB LEU 28 13.375 4.022 1.548 200 HB3 LEU 28 1HB LEU 28 11.966 2.988 1.337 201 HG LEU 28 HG LEU 28 13.064 2.300 -0.914 202 HD11 LEU 28 1HD1 LEU 28 14.807 3.924 -1.106 203 HD12 LEU 28 2HD1 LEU 28 15.607 2.404 -0.713 204 HD13 LEU 28 3HD1 LEU 28 15.367 3.622 0.539 205 HD21 LEU 28 1HD2 LEU 28 13.784 1.502 1.867 206 HD22 LEU 28 2HD2 LEU 28 14.770 0.844 0.562 207 HD23 LEU 28 3HD2 LEU 28 13.030 0.553 0.584 208 H ASP 29 H ASP 29 12.322 4.089 -2.589 209 HA ASP 29 HA ASP 29 9.551 3.559 -3.158 210 HB2 ASP 29 2HB ASP 29 12.081 2.817 -4.665 211 HB3 ASP 29 1HB ASP 29 10.451 2.609 -5.306 212 H LEU 30 H LEU 30 8.442 1.754 -2.565 213 HA LEU 30 HA LEU 30 9.783 -0.472 -1.325 214 HB2 LEU 30 2HB LEU 30 7.186 -1.298 -2.116 215 HB3 LEU 30 1HB LEU 30 7.709 -0.771 -0.518 216 HG LEU 30 HG LEU 30 7.309 1.596 -1.217 217 HD11 LEU 30 1HD1 LEU 30 6.715 2.153 -3.340 218 HD12 LEU 30 2HD1 LEU 30 5.603 0.792 -3.476 219 HD13 LEU 30 3HD1 LEU 30 7.325 0.556 -3.773 220 HD21 LEU 30 1HD2 LEU 30 4.701 1.151 -1.524 221 HD22 LEU 30 2HD2 LEU 30 5.506 0.802 0.008 222 HD23 LEU 30 3HD2 LEU 30 5.175 -0.501 -1.132 223 H VAL 31 H VAL 31 10.058 0.284 -4.412 224 HA VAL 31 HA VAL 31 9.163 -1.884 -5.957 225 HB VAL 31 HB VAL 31 11.079 -1.406 -7.440 226 HG11 VAL 31 1HG1 VAL 31 10.717 1.227 -7.375 227 HG12 VAL 31 2HG1 VAL 31 9.444 0.783 -6.237 228 HG13 VAL 31 3HG1 VAL 31 9.421 0.141 -7.879 229 HG21 VAL 31 1HG2 VAL 31 12.922 -1.083 -6.015 230 HG22 VAL 31 2HG2 VAL 31 12.040 0.040 -4.981 231 HG23 VAL 31 3HG2 VAL 31 12.576 0.551 -6.582 232 H ASP 32 H ASP 32 12.098 -1.585 -3.992 233 HA ASP 32 HA ASP 32 13.218 -4.137 -4.568 234 HB2 ASP 32 2HB ASP 32 13.260 -2.520 -1.996 235 HB3 ASP 32 1HB ASP 32 14.260 -3.945 -2.284 236 H ASN 33 H ASN 33 10.660 -3.089 -2.414 237 HA ASN 33 HA ASN 33 10.249 -5.763 -1.283 238 HB2 ASN 33 2HB ASN 33 8.552 -3.268 -1.080 239 HB3 ASN 33 1HB ASN 33 8.372 -4.723 -0.101 240 HD21 ASN 33 1HD2 ASN 33 9.453 -1.713 0.265 241 HD22 ASN 33 2HD2 ASN 33 10.788 -1.960 1.283 242 H GLY 34 H GLY 34 9.915 -4.855 -4.245 243 HA2 GLY 34 2HA GLY 34 7.331 -4.914 -5.191 244 HA3 GLY 34 1HA GLY 34 8.642 -5.768 -6.008 245 H VAL 35 H VAL 35 8.797 -7.320 -3.267 246 HA VAL 35 HA VAL 35 7.589 -9.713 -4.115 247 HB VAL 35 HB VAL 35 8.069 -8.650 -1.317 248 HG11 VAL 35 1HG1 VAL 35 7.124 -11.373 -2.250 249 HG12 VAL 35 2HG1 VAL 35 6.333 -10.296 -1.098 250 HG13 VAL 35 3HG1 VAL 35 7.844 -11.094 -0.663 251 HG21 VAL 35 1HG2 VAL 35 10.139 -9.617 -1.474 252 HG22 VAL 35 2HG2 VAL 35 9.871 -9.400 -3.205 253 HG23 VAL 35 3HG2 VAL 35 9.547 -10.961 -2.450 254 H ILE 36 H ILE 36 6.203 -6.995 -2.331 255 HA ILE 36 HA ILE 36 3.645 -8.237 -1.818 256 HB ILE 36 HB ILE 36 4.750 -6.087 -0.781 257 HG12 ILE 36 2HG1 ILE 36 1.808 -6.268 -1.497 258 HG13 ILE 36 1HG1 ILE 36 2.588 -6.978 -0.086 259 HG21 ILE 36 1HG2 ILE 36 4.255 -4.039 -1.842 260 HG22 ILE 36 2HG2 ILE 36 3.050 -4.777 -2.898 261 HG23 ILE 36 3HG2 ILE 36 4.767 -5.072 -3.176 262 HD11 ILE 36 1HD1 ILE 36 1.591 -4.294 -0.430 263 HD12 ILE 36 2HD1 ILE 36 3.317 -4.255 -0.073 264 HD13 ILE 36 3HD1 ILE 36 2.207 -5.065 1.031 265 H ASP 37 H ASP 37 5.055 -6.614 -4.553 266 HA ASP 37 HA ASP 37 2.692 -5.748 -5.867 267 HB2 ASP 37 2HB ASP 37 5.312 -6.682 -7.067 268 HB3 ASP 37 1HB ASP 37 4.048 -5.833 -7.950 269 H SER 38 H SER 38 4.166 -8.965 -5.734 270 HA SER 38 HA SER 38 2.107 -9.905 -7.670 271 HB2 SER 38 2HB SER 38 4.598 -11.290 -6.655 272 HB3 SER 38 1HB SER 38 3.493 -11.929 -7.868 273 H LEU 39 H LEU 39 3.667 -11.336 -4.779 274 HA LEU 39 HA LEU 39 1.385 -13.016 -4.287 275 HB2 LEU 39 2HB LEU 39 3.737 -13.564 -3.615 276 HB3 LEU 39 1HB LEU 39 3.608 -12.325 -2.372 277 HG LEU 39 HG LEU 39 1.393 -14.281 -2.409 278 HD11 LEU 39 1HD1 LEU 39 3.045 -15.917 -2.821 279 HD12 LEU 39 2HD1 LEU 39 2.932 -15.876 -1.062 280 HD13 LEU 39 3HD1 LEU 39 4.260 -15.052 -1.880 281 HD21 LEU 39 1HD2 LEU 39 3.214 -13.128 -0.272 282 HD22 LEU 39 2HD2 LEU 39 1.828 -14.169 0.048 283 HD23 LEU 39 3HD2 LEU 39 1.587 -12.574 -0.664 284 H GLY 40 H GLY 40 2.670 -10.214 -2.491 285 HA2 GLY 40 2HA GLY 40 0.479 -10.116 -0.643 286 HA3 GLY 40 1HA GLY 40 1.596 -8.794 -0.965 287 H LEU 41 H LEU 41 1.062 -8.593 -3.772 288 HA LEU 41 HA LEU 41 -1.105 -6.767 -3.773 289 HB2 LEU 41 2HB LEU 41 0.707 -6.866 -5.491 290 HB3 LEU 41 1HB LEU 41 -0.024 -8.336 -6.132 291 HG LEU 41 HG LEU 41 -2.199 -6.787 -6.185 292 HD11 LEU 41 1HD1 LEU 41 -1.117 -4.843 -5.179 293 HD12 LEU 41 2HD1 LEU 41 -1.541 -4.485 -6.854 294 HD13 LEU 41 3HD1 LEU 41 0.128 -4.864 -6.428 295 HD21 LEU 41 1HD2 LEU 41 -1.145 -7.924 -8.118 296 HD22 LEU 41 2HD2 LEU 41 0.041 -6.622 -8.225 297 HD23 LEU 41 3HD2 LEU 41 -1.663 -6.290 -8.534 298 H LEU 42 H LEU 42 -0.962 -10.186 -4.751 299 HA LEU 42 HA LEU 42 -3.650 -10.373 -5.672 300 HB2 LEU 42 2HB LEU 42 -1.900 -12.153 -5.967 301 HB3 LEU 42 1HB LEU 42 -2.055 -12.530 -4.259 302 HG LEU 42 HG LEU 42 -4.570 -12.836 -4.723 303 HD11 LEU 42 1HD1 LEU 42 -3.419 -12.739 -7.509 304 HD12 LEU 42 2HD1 LEU 42 -4.828 -11.892 -6.877 305 HD13 LEU 42 3HD1 LEU 42 -4.896 -13.631 -7.151 306 HD21 LEU 42 1HD2 LEU 42 -3.554 -14.852 -4.264 307 HD22 LEU 42 2HD2 LEU 42 -2.301 -14.617 -5.482 308 HD23 LEU 42 3HD2 LEU 42 -3.918 -15.127 -5.967 309 H LYS 43 H LYS 43 -2.241 -10.806 -2.437 310 HA LYS 43 HA LYS 43 -4.723 -11.456 -1.141 311 HB2 LYS 43 2HB LYS 43 -2.172 -10.243 -0.062 312 HB3 LYS 43 1HB LYS 43 -3.493 -10.834 0.937 313 HG2 LYS 43 2HG LYS 43 -3.245 -13.077 -0.131 314 HG3 LYS 43 1HG LYS 43 -1.842 -12.466 -1.009 315 HD2 LYS 43 2HD LYS 43 -0.770 -11.908 1.178 316 HD3 LYS 43 1HD LYS 43 -2.138 -12.655 2.003 317 HE2 LYS 43 2HE LYS 43 -0.480 -14.130 -0.052 318 HE3 LYS 43 1HE LYS 43 -0.097 -14.151 1.669 319 HZ1 LYS 43 1HZ LYS 43 -1.490 -15.889 1.687 320 HZ2 LYS 43 2HZ LYS 43 -2.255 -15.443 0.237 321 HZ3 LYS 43 3HZ LYS 43 -2.708 -14.710 1.702 322 H VAL 44 H VAL 44 -3.047 -8.416 -1.832 323 HA VAL 44 HA VAL 44 -4.721 -6.731 -0.233 324 HB VAL 44 HB VAL 44 -3.107 -6.137 -2.723 325 HG11 VAL 44 1HG1 VAL 44 -4.977 -4.509 -1.164 326 HG12 VAL 44 2HG1 VAL 44 -4.244 -4.181 -2.735 327 HG13 VAL 44 3HG1 VAL 44 -3.365 -3.799 -1.254 328 HG21 VAL 44 1HG2 VAL 44 -1.365 -6.267 -1.297 329 HG22 VAL 44 2HG2 VAL 44 -2.455 -6.608 0.047 330 HG23 VAL 44 3HG2 VAL 44 -2.065 -4.939 -0.373 331 H ILE 45 H ILE 45 -4.875 -7.485 -3.736 332 HA ILE 45 HA ILE 45 -7.212 -5.935 -4.232 333 HB ILE 45 HB ILE 45 -6.307 -8.461 -5.644 334 HG12 ILE 45 2HG1 ILE 45 -4.484 -6.868 -5.667 335 HG13 ILE 45 1HG1 ILE 45 -5.257 -6.812 -7.247 336 HG21 ILE 45 1HG2 ILE 45 -8.584 -7.824 -6.202 337 HG22 ILE 45 2HG2 ILE 45 -7.524 -7.441 -7.558 338 HG23 ILE 45 3HG2 ILE 45 -8.080 -6.159 -6.483 339 HD11 ILE 45 1HD1 ILE 45 -5.387 -4.810 -5.007 340 HD12 ILE 45 2HD1 ILE 45 -6.689 -4.895 -6.195 341 HD13 ILE 45 3HD1 ILE 45 -5.043 -4.543 -6.715 342 H ALA 46 H ALA 46 -6.807 -9.335 -3.274 343 HA ALA 46 HA ALA 46 -9.590 -10.012 -3.422 344 HB1 ALA 46 1HB ALA 46 -8.127 -11.852 -3.283 345 HB2 ALA 46 2HB ALA 46 -8.845 -11.792 -1.673 346 HB3 ALA 46 3HB ALA 46 -7.224 -11.148 -1.941 347 H TRP 47 H TRP 47 -7.560 -8.810 -0.755 348 HA TRP 47 HA TRP 47 -9.745 -8.810 1.158 349 HB2 TRP 47 2HB TRP 47 -7.749 -8.877 2.299 350 HB3 TRP 47 1HB TRP 47 -6.912 -7.890 1.102 351 HD1 TRP 47 HD TRP 47 -9.223 -7.612 4.137 352 HE1 TRP 47 1HE TRP 47 -9.133 -5.190 5.017 353 HE3 TRP 47 3HE TRP 47 -6.440 -5.436 0.457 354 HZ2 TRP 47 2HZ TRP 47 -8.021 -2.662 4.256 355 HZ3 TRP 47 3HZ TRP 47 -5.877 -3.030 0.555 356 HH2 TRP 47 HH TRP 47 -6.662 -1.641 2.447 357 H LEU 48 H LEU 48 -8.216 -6.366 -0.915 358 HA LEU 48 HA LEU 48 -9.558 -4.089 0.095 359 HB2 LEU 48 2HB LEU 48 -7.678 -4.100 -1.587 360 HB3 LEU 48 1HB LEU 48 -8.841 -4.608 -2.802 361 HG LEU 48 HG LEU 48 -10.202 -2.532 -1.975 362 HD11 LEU 48 1HD1 LEU 48 -9.112 -0.969 -0.723 363 HD12 LEU 48 2HD1 LEU 48 -7.564 -1.287 -1.506 364 HD13 LEU 48 3HD1 LEU 48 -8.133 -2.347 -0.221 365 HD21 LEU 48 1HD2 LEU 48 -8.404 -1.144 -3.472 366 HD22 LEU 48 2HD2 LEU 48 -9.580 -2.263 -4.162 367 HD23 LEU 48 3HD2 LEU 48 -7.927 -2.797 -3.857 368 H GLU 49 H GLU 49 -10.568 -6.429 -2.394 369 HA GLU 49 HA GLU 49 -12.993 -5.090 -3.102 370 HB2 GLU 49 2HB GLU 49 -12.259 -6.796 -4.577 371 HB3 GLU 49 1HB GLU 49 -12.086 -7.965 -3.281 372 HG2 GLU 49 2HG GLU 49 -14.512 -8.048 -2.994 373 HG3 GLU 49 1HG GLU 49 -14.721 -6.812 -4.224 374 H ASP 50 H ASP 50 -12.257 -7.499 -0.600 375 HA ASP 50 HA ASP 50 -14.973 -7.829 0.267 376 HB2 ASP 50 2HB ASP 50 -13.086 -9.387 0.794 377 HB3 ASP 50 1HB ASP 50 -12.460 -8.168 1.901 378 H ARG 51 H ARG 51 -12.324 -5.798 1.516 379 HA ARG 51 HA ARG 51 -13.880 -4.655 3.634 380 HB2 ARG 51 2HB ARG 51 -11.402 -4.656 3.592 381 HB3 ARG 51 1HB ARG 51 -11.443 -3.491 2.267 382 HG2 ARG 51 2HG ARG 51 -12.658 -1.894 3.690 383 HG3 ARG 51 1HG ARG 51 -12.650 -3.057 5.016 384 HD2 ARG 51 2HD ARG 51 -10.166 -3.034 4.989 385 HD3 ARG 51 1HD ARG 51 -10.208 -1.810 3.720 386 HE ARG 51 HE ARG 51 -11.688 -0.583 5.613 387 HH11 ARG 51 1HH1 ARG 51 -10.918 0.551 7.405 388 HH12 ARG 51 2HH1 ARG 51 -9.387 0.126 8.092 389 HH21 ARG 51 1HH2 ARG 51 -8.768 -2.418 5.823 390 HH22 ARG 51 2HH2 ARG 51 -8.172 -1.552 7.198 391 H PHE 52 H PHE 52 -13.162 -3.407 0.338 392 HA PHE 52 HA PHE 52 -15.016 -1.155 0.917 393 HB2 PHE 52 2HB PHE 52 -13.029 -1.596 -1.322 394 HB3 PHE 52 1HB PHE 52 -14.050 -0.173 -1.148 395 HD1 PHE 52 1HD PHE 52 -11.081 -1.911 0.045 396 HD2 PHE 52 2HD PHE 52 -13.789 1.328 0.836 397 HE1 PHE 52 1HE PHE 52 -9.439 -0.922 1.617 398 HE2 PHE 52 2HE PHE 52 -12.146 2.318 2.408 399 HZ PHE 52 HZ PHE 52 -9.971 1.193 2.799 400 H GLY 53 H GLY 53 -15.114 -4.190 -0.569 401 HA2 GLY 53 2HA GLY 53 -16.822 -5.157 -1.885 402 HA3 GLY 53 1HA GLY 53 -17.735 -3.663 -1.670 403 H ILE 54 H ILE 54 -14.486 -3.590 -2.956 404 HA ILE 54 HA ILE 54 -15.602 -2.570 -5.518 405 HB ILE 54 HB ILE 54 -12.758 -2.506 -4.465 406 HG12 ILE 54 2HG1 ILE 54 -14.789 -0.260 -4.584 407 HG13 ILE 54 1HG1 ILE 54 -14.494 -1.216 -3.131 408 HG21 ILE 54 1HG2 ILE 54 -12.280 -1.916 -6.591 409 HG22 ILE 54 2HG2 ILE 54 -13.207 -0.443 -6.305 410 HG23 ILE 54 3HG2 ILE 54 -13.989 -1.852 -7.020 411 HD11 ILE 54 1HD1 ILE 54 -13.163 0.872 -3.129 412 HD12 ILE 54 2HD1 ILE 54 -12.391 0.370 -4.633 413 HD13 ILE 54 3HD1 ILE 54 -12.130 -0.557 -3.155 414 H ALA 55 H ALA 55 -15.128 -3.579 -7.490 415 HA ALA 55 HA ALA 55 -14.624 -6.378 -7.476 416 HB1 ALA 55 1HB ALA 55 -14.707 -4.255 -9.588 417 HB2 ALA 55 2HB ALA 55 -15.708 -5.698 -9.412 418 HB3 ALA 55 3HB ALA 55 -14.055 -5.839 -10.010 419 H ALA 56 H ALA 56 -12.762 -7.573 -7.900 420 HA ALA 56 HA ALA 56 -10.274 -6.520 -7.020 421 HB1 ALA 56 1HB ALA 56 -11.051 -8.998 -8.552 422 HB2 ALA 56 2HB ALA 56 -10.504 -8.865 -6.881 423 HB3 ALA 56 3HB ALA 56 -9.360 -8.641 -8.203 424 H ASP 57 H ASP 57 -11.677 -6.816 -10.247 425 HA ASP 57 HA ASP 57 -9.189 -5.886 -11.521 426 HB2 ASP 57 2HB ASP 57 -10.417 -6.195 -13.611 427 HB3 ASP 57 1HB ASP 57 -10.603 -7.625 -12.599 428 H ASP 58 H ASP 58 -11.258 -4.291 -9.714 429 HA ASP 58 HA ASP 58 -12.428 -2.231 -11.221 430 HB2 ASP 58 2HB ASP 58 -12.674 -2.585 -8.744 431 HB3 ASP 58 1HB ASP 58 -11.078 -1.867 -8.544 432 H VAL 59 H VAL 59 -9.064 -2.622 -10.213 433 HA VAL 59 HA VAL 59 -8.381 -0.286 -11.953 434 HB VAL 59 HB VAL 59 -8.157 0.283 -9.532 435 HG11 VAL 59 1HG1 VAL 59 -5.926 -1.757 -9.485 436 HG12 VAL 59 2HG1 VAL 59 -7.555 -2.137 -8.928 437 HG13 VAL 59 3HG1 VAL 59 -6.621 -0.874 -8.125 438 HG21 VAL 59 1HG2 VAL 59 -5.344 0.069 -10.496 439 HG22 VAL 59 2HG2 VAL 59 -6.222 1.477 -9.896 440 HG23 VAL 59 3HG2 VAL 59 -6.482 0.912 -11.547 441 H GLU 60 H GLU 60 -6.530 -0.552 -13.232 442 HA GLU 60 HA GLU 60 -5.744 -3.279 -13.805 443 HB2 GLU 60 2HB GLU 60 -5.798 -1.453 -15.515 444 HB3 GLU 60 1HB GLU 60 -4.420 -0.709 -14.713 445 HG2 GLU 60 2HG GLU 60 -3.131 -2.798 -15.054 446 HG3 GLU 60 1HG GLU 60 -4.495 -3.466 -15.941 447 H LEU 61 H LEU 61 -3.796 -4.317 -13.295 448 HA LEU 61 HA LEU 61 -2.316 -3.126 -11.021 449 HB2 LEU 61 2HB LEU 61 -2.099 -5.919 -12.179 450 HB3 LEU 61 1HB LEU 61 -1.500 -5.367 -10.617 451 HG LEU 61 HG LEU 61 -4.394 -5.510 -11.469 452 HD11 LEU 61 1HD1 LEU 61 -4.347 -7.581 -10.599 453 HD12 LEU 61 2HD1 LEU 61 -3.796 -6.919 -9.060 454 HD13 LEU 61 3HD1 LEU 61 -2.622 -7.409 -10.282 455 HD21 LEU 61 1HD2 LEU 61 -4.644 -4.963 -8.923 456 HD22 LEU 61 2HD2 LEU 61 -4.320 -3.645 -10.048 457 HD23 LEU 61 3HD2 LEU 61 -3.009 -4.319 -9.079 458 H SER 62 H SER 62 -0.175 -2.515 -11.191 459 HA SER 62 HA SER 62 1.495 -3.471 -13.383 460 HB2 SER 62 2HB SER 62 -0.035 -1.143 -13.818 461 HB3 SER 62 1HB SER 62 1.601 -0.580 -13.487 462 HG SER 62 HG SER 62 0.614 -2.155 -15.567 463 HA PRO 63 HA PRO 63 4.479 -2.739 -10.170 464 HB2 PRO 63 2HB PRO 63 6.744 -2.408 -11.733 465 HB3 PRO 63 1HB PRO 63 6.057 -3.974 -11.272 466 HG2 PRO 63 2HG PRO 63 5.823 -2.479 -13.822 467 HG3 PRO 63 1HG PRO 63 5.928 -4.224 -13.537 468 HD2 PRO 63 2HD PRO 63 3.582 -2.974 -14.147 469 HD3 PRO 63 1HD PRO 63 3.658 -4.431 -13.135 470 H GLU 64 H GLU 64 4.153 -0.497 -12.832 471 HA GLU 64 HA GLU 64 5.848 1.585 -11.838 472 HB2 GLU 64 2HB GLU 64 3.407 1.717 -13.610 473 HB3 GLU 64 1HB GLU 64 4.510 3.057 -13.340 474 HG2 GLU 64 2HG GLU 64 6.368 1.667 -14.203 475 HG3 GLU 64 1HG GLU 64 5.220 0.377 -14.538 476 H HIS 65 H HIS 65 2.543 0.653 -11.139 477 HA HIS 65 HA HIS 65 1.765 3.080 -9.807 478 HB2 HIS 65 2HB HIS 65 0.155 1.378 -10.623 479 HB3 HIS 65 1HB HIS 65 0.736 0.261 -9.388 480 HD1 HIS 65 1HD HIS 65 -0.560 3.859 -9.465 481 HD2 HIS 65 2HD HIS 65 -0.788 0.430 -7.101 482 HE1 HIS 65 1HE HIS 65 -2.096 4.421 -7.532 483 HE2 HIS 65 2HE HIS 65 -2.246 2.341 -6.088 484 H PHE 66 H PHE 66 3.605 0.284 -8.769 485 HA PHE 66 HA PHE 66 3.402 1.173 -5.943 486 HB2 PHE 66 2HB PHE 66 4.534 -1.328 -7.213 487 HB3 PHE 66 1HB PHE 66 4.631 -0.979 -5.485 488 HD1 PHE 66 1HD PHE 66 2.403 -1.853 -8.276 489 HD2 PHE 66 2HD PHE 66 2.614 -0.887 -4.095 490 HE1 PHE 66 1HE PHE 66 0.079 -2.668 -7.968 491 HE2 PHE 66 2HE PHE 66 0.294 -1.703 -3.787 492 HZ PHE 66 HZ PHE 66 -0.975 -2.589 -5.722 493 H ARG 67 H ARG 67 5.223 2.209 -8.379 494 HA ARG 67 HA ARG 67 7.915 1.828 -7.560 495 HB2 ARG 67 2HB ARG 67 6.556 4.103 -9.010 496 HB3 ARG 67 1HB ARG 67 8.290 4.092 -8.696 497 HG2 ARG 67 2HG ARG 67 7.051 1.664 -9.912 498 HG3 ARG 67 1HG ARG 67 7.334 3.070 -10.941 499 HD2 ARG 67 2HD ARG 67 9.517 2.030 -9.143 500 HD3 ARG 67 1HD ARG 67 9.231 1.291 -10.718 501 HE ARG 67 HE ARG 67 9.430 4.171 -10.928 502 HH11 ARG 67 1HH1 ARG 67 11.306 4.982 -11.893 503 HH12 ARG 67 2HH1 ARG 67 12.695 3.959 -12.048 504 HH21 ARG 67 1HH2 ARG 67 11.178 1.223 -10.553 505 HH22 ARG 67 2HH2 ARG 67 12.623 1.831 -11.290 506 H SER 68 H SER 68 5.461 4.104 -6.423 507 HA SER 68 HA SER 68 7.222 4.671 -4.097 508 HB2 SER 68 2HB SER 68 6.877 7.064 -4.258 509 HB3 SER 68 1HB SER 68 7.517 6.500 -5.799 510 HG SER 68 HG SER 68 4.793 6.366 -5.642 511 H ILE 69 H ILE 69 6.056 5.177 -2.188 512 HA ILE 69 HA ILE 69 3.411 4.100 -1.995 513 HB ILE 69 HB ILE 69 4.945 5.886 -0.087 514 HG12 ILE 69 2HG1 ILE 69 4.602 2.891 -0.059 515 HG13 ILE 69 1HG1 ILE 69 6.003 3.689 -0.757 516 HG21 ILE 69 1HG2 ILE 69 2.708 5.941 0.630 517 HG22 ILE 69 2HG2 ILE 69 3.415 4.618 1.556 518 HG23 ILE 69 3HG2 ILE 69 2.426 4.272 0.141 519 HD11 ILE 69 1HD1 ILE 69 5.150 4.353 2.043 520 HD12 ILE 69 2HD1 ILE 69 6.751 4.482 1.312 521 HD13 ILE 69 3HD1 ILE 69 6.101 2.899 1.738 522 H ARG 70 H ARG 70 4.653 7.406 -2.275 523 HA ARG 70 HA ARG 70 2.242 8.786 -1.675 524 HB2 ARG 70 2HB ARG 70 4.502 9.552 -3.545 525 HB3 ARG 70 1HB ARG 70 3.247 10.655 -2.982 526 HG2 ARG 70 2HG ARG 70 3.927 10.161 -0.629 527 HG3 ARG 70 1HG ARG 70 5.254 9.179 -1.254 528 HD2 ARG 70 2HD ARG 70 4.826 12.139 -1.762 529 HD3 ARG 70 1HD ARG 70 6.069 11.428 -0.734 530 HE ARG 70 HE ARG 70 6.269 10.338 -3.382 531 HH11 ARG 70 1HH1 ARG 70 7.944 11.092 -4.699 532 HH12 ARG 70 2HH1 ARG 70 8.722 12.590 -4.314 533 HH21 ARG 70 1HH2 ARG 70 6.777 13.187 -1.507 534 HH22 ARG 70 2HH2 ARG 70 8.061 13.777 -2.507 535 H SER 71 H SER 71 3.409 7.422 -4.753 536 HA SER 71 HA SER 71 1.394 8.577 -6.406 537 HB2 SER 71 2HB SER 71 2.004 6.886 -8.021 538 HB3 SER 71 1HB SER 71 3.472 7.399 -7.199 539 HG SER 71 HG SER 71 3.677 5.451 -6.450 540 H ILE 72 H ILE 72 1.429 5.564 -4.514 541 HA ILE 72 HA ILE 72 -1.094 4.602 -5.481 542 HB ILE 72 HB ILE 72 0.292 4.040 -2.844 543 HG12 ILE 72 2HG1 ILE 72 0.443 2.562 -5.493 544 HG13 ILE 72 1HG1 ILE 72 1.709 3.615 -4.860 545 HG21 ILE 72 1HG2 ILE 72 -1.192 1.864 -4.014 546 HG22 ILE 72 2HG2 ILE 72 -2.236 3.274 -3.847 547 HG23 ILE 72 3HG2 ILE 72 -1.403 2.621 -2.436 548 HD11 ILE 72 1HD1 ILE 72 0.986 0.868 -4.076 549 HD12 ILE 72 2HD1 ILE 72 1.238 1.963 -2.716 550 HD13 ILE 72 3HD1 ILE 72 2.520 1.721 -3.903 551 H ASP 73 H ASP 73 -0.159 6.567 -2.668 552 HA ASP 73 HA ASP 73 -2.692 6.646 -1.393 553 HB2 ASP 73 2HB ASP 73 -0.486 7.523 -0.484 554 HB3 ASP 73 1HB ASP 73 -0.731 8.948 -1.493 555 H ALA 74 H ALA 74 -1.383 8.665 -4.016 556 HA ALA 74 HA ALA 74 -3.552 10.527 -4.069 557 HB1 ALA 74 1HB ALA 74 -1.180 10.351 -5.381 558 HB2 ALA 74 2HB ALA 74 -2.491 11.418 -5.885 559 HB3 ALA 74 3HB ALA 74 -2.286 9.845 -6.659 560 H PHE 75 H PHE 75 -3.017 7.506 -5.886 561 HA PHE 75 HA PHE 75 -5.455 7.664 -7.385 562 HB2 PHE 75 2HB PHE 75 -3.558 6.129 -7.921 563 HB3 PHE 75 1HB PHE 75 -3.992 5.170 -6.508 564 HD1 PHE 75 1HD PHE 75 -5.130 6.315 -9.841 565 HD2 PHE 75 2HD PHE 75 -5.918 3.725 -6.506 566 HE1 PHE 75 1HE PHE 75 -6.847 5.122 -11.174 567 HE2 PHE 75 2HE PHE 75 -7.636 2.531 -7.840 568 HZ PHE 75 HZ PHE 75 -8.100 3.230 -10.173 569 H VAL 76 H VAL 76 -4.661 6.005 -4.330 570 HA VAL 76 HA VAL 76 -7.273 4.939 -3.893 571 HB VAL 76 HB VAL 76 -5.016 5.635 -2.000 572 HG11 VAL 76 1HG1 VAL 76 -6.522 3.781 -0.698 573 HG12 VAL 76 2HG1 VAL 76 -7.779 4.708 -1.518 574 HG13 VAL 76 3HG1 VAL 76 -6.655 5.518 -0.427 575 HG21 VAL 76 1HG2 VAL 76 -6.036 2.953 -2.978 576 HG22 VAL 76 2HG2 VAL 76 -4.562 3.262 -2.060 577 HG23 VAL 76 3HG2 VAL 76 -4.694 3.815 -3.729 578 H VAL 77 H VAL 77 -5.744 7.998 -2.871 579 HA VAL 77 HA VAL 77 -7.852 8.913 -1.207 580 HB VAL 77 HB VAL 77 -5.862 10.424 -2.920 581 HG11 VAL 77 1HG1 VAL 77 -8.136 11.322 -1.310 582 HG12 VAL 77 2HG1 VAL 77 -7.176 12.209 -2.493 583 HG13 VAL 77 3HG1 VAL 77 -6.611 12.064 -0.829 584 HG21 VAL 77 1HG2 VAL 77 -5.413 8.855 -0.726 585 HG22 VAL 77 2HG2 VAL 77 -5.705 10.419 0.034 586 HG23 VAL 77 3HG2 VAL 77 -4.420 10.246 -1.161 587 H GLY 78 H GLY 78 -7.318 9.269 -4.702 588 HA2 GLY 78 2HA GLY 78 -9.495 11.013 -5.237 589 HA3 GLY 78 1HA GLY 78 -8.785 9.907 -6.410 590 H ALA 79 H ALA 79 -9.425 7.494 -4.817 591 HA ALA 79 HA ALA 79 -12.325 7.410 -5.483 592 HB1 ALA 79 1HB ALA 79 -11.303 4.811 -4.926 593 HB2 ALA 79 2HB ALA 79 -10.140 5.635 -5.965 594 HB3 ALA 79 3HB ALA 79 -11.818 5.467 -6.481 595 H THR 80 H THR 80 -10.067 6.257 -2.967 596 HA THR 80 HA THR 80 -12.369 6.323 -1.058 597 HB THR 80 HB THR 80 -10.101 4.328 -1.033 598 HG1 THR 80 1HG THR 80 -11.881 4.287 -2.734 599 HG21 THR 80 1HG2 THR 80 -10.795 3.973 1.075 600 HG22 THR 80 2HG2 THR 80 -12.337 3.429 0.416 601 HG23 THR 80 3HG2 THR 80 -12.122 5.117 0.876 602 H THR 81 H THR 81 -11.950 7.319 0.894 603 HA THR 81 HA THR 81 -9.126 8.136 1.423 604 HB THR 81 HB THR 81 -10.220 10.104 0.619 605 HG1 THR 81 1HG THR 81 -10.117 11.375 2.442 606 HG21 THR 81 1HG2 THR 81 -12.387 10.532 2.363 607 HG22 THR 81 2HG2 THR 81 -12.527 8.854 1.838 608 HG23 THR 81 3HG2 THR 81 -12.468 10.150 0.643 609 HA PRO 82 HA PRO 82 -10.801 5.919 5.118 610 HB2 PRO 82 2HB PRO 82 -8.012 5.135 5.534 611 HB3 PRO 82 1HB PRO 82 -9.434 4.109 5.289 612 HG2 PRO 82 2HG PRO 82 -7.455 4.396 3.460 613 HG3 PRO 82 1HG PRO 82 -9.131 4.005 3.044 614 HD2 PRO 82 2HD PRO 82 -7.690 6.617 2.805 615 HD3 PRO 82 1HD PRO 82 -8.949 5.916 1.762 616 HA PRO 83 HA PRO 83 -9.511 8.536 8.456 617 HB2 PRO 83 2HB PRO 83 -8.080 6.392 9.917 618 HB3 PRO 83 1HB PRO 83 -9.475 7.361 10.421 619 HG2 PRO 83 2HG PRO 83 -9.689 4.775 9.744 620 HG3 PRO 83 1HG PRO 83 -10.980 5.950 9.446 621 HD2 PRO 83 2HD PRO 83 -9.067 4.722 7.509 622 HD3 PRO 83 1HD PRO 83 -10.747 5.247 7.264 623 H VAL 84 H VAL 84 -7.717 9.801 9.178 624 HA VAL 84 HA VAL 84 -5.125 9.090 7.869 625 HB VAL 84 HB VAL 84 -6.097 11.795 8.831 626 HG11 VAL 84 1HG1 VAL 84 -3.739 11.866 8.777 627 HG12 VAL 84 2HG1 VAL 84 -4.204 12.474 7.188 628 HG13 VAL 84 3HG1 VAL 84 -3.651 10.809 7.367 629 HG21 VAL 84 1HG2 VAL 84 -6.395 12.258 6.401 630 HG22 VAL 84 2HG2 VAL 84 -7.469 10.982 6.969 631 HG23 VAL 84 3HG2 VAL 84 -6.018 10.571 6.055 632 H GLU 85 H GLU 85 -3.365 8.739 9.138 633 HA GLU 85 HA GLU 85 -3.519 9.538 12.009 634 HB2 GLU 85 2HB GLU 85 -2.359 6.973 10.877 635 HB3 GLU 85 1HB GLU 85 -2.322 7.451 12.575 636 HG2 GLU 85 2HG GLU 85 -4.809 7.511 12.585 637 HG3 GLU 85 1HG GLU 85 -4.809 6.945 10.914 638 H ALA 86 H ALA 86 -1.496 10.182 12.932 639 HA ALA 86 HA ALA 86 0.370 11.328 11.017 640 HB1 ALA 86 1HB ALA 86 0.765 12.665 12.783 641 HB2 ALA 86 2HB ALA 86 1.500 11.306 13.634 642 HB3 ALA 86 3HB ALA 86 -0.227 11.626 13.806 643 H LYS 87 H LYS 87 2.305 10.475 10.333 644 HA LYS 87 HA LYS 87 3.006 7.767 11.355 645 HB2 LYS 87 2HB LYS 87 2.679 8.220 8.859 646 HB3 LYS 87 1HB LYS 87 4.168 9.162 8.933 647 HG2 LYS 87 2HG LYS 87 5.367 7.180 9.816 648 HG3 LYS 87 1HG LYS 87 3.880 6.240 9.694 649 HD2 LYS 87 2HD LYS 87 3.834 6.842 7.225 650 HD3 LYS 87 1HD LYS 87 5.462 7.486 7.432 651 HE2 LYS 87 2HE LYS 87 5.357 5.083 6.614 652 HE3 LYS 87 1HE LYS 87 6.325 5.334 8.067 653 HZ1 LYS 87 1HZ LYS 87 4.484 4.606 9.411 654 HZ2 LYS 87 2HZ LYS 87 4.824 3.420 8.243 655 HZ3 LYS 87 3HZ LYS 87 3.489 4.452 8.047 656 H LEU 88 H LEU 88 4.876 7.464 12.512 657 HA LEU 88 HA LEU 88 6.698 8.145 13.852 658 HB2 LEU 88 2HB LEU 88 7.689 7.770 11.559 659 HB3 LEU 88 1HB LEU 88 7.519 9.500 11.269 660 HG LEU 88 HG LEU 88 8.885 9.910 13.346 661 HD11 LEU 88 1HD1 LEU 88 10.313 7.533 13.576 662 HD12 LEU 88 2HD1 LEU 88 8.638 6.997 13.466 663 HD13 LEU 88 3HD1 LEU 88 9.118 8.133 14.725 664 HD21 LEU 88 1HD2 LEU 88 9.925 8.498 10.910 665 HD22 LEU 88 2HD2 LEU 88 11.045 8.893 12.214 666 HD23 LEU 88 3HD2 LEU 88 10.146 10.176 11.404 667 H GLN 89 H GLN 89 4.921 9.687 14.821 668 HA GLN 89 HA GLN 89 4.924 12.467 14.187 669 HB2 GLN 89 2HB GLN 89 3.234 11.332 15.643 670 HB3 GLN 89 1HB GLN 89 4.459 11.203 16.905 671 HG2 GLN 89 2HG GLN 89 4.722 13.694 16.829 672 HG3 GLN 89 1HG GLN 89 3.376 13.760 15.690 673 HE21 GLN 89 1HE2 GLN 89 1.478 14.311 16.759 674 HE22 GLN 89 2HE2 GLN 89 1.046 13.791 18.316 675 H1 PN7 101 3HO SAT 101 3.379 -9.135 -13.343 676 H2 PN7 101 1H1 SAT 101 4.451 -8.010 -9.395 677 H3 PN7 101 2H1 SAT 101 2.828 -8.544 -9.831 678 H5 PN7 101 1HE1 SAT 101 5.848 -6.947 -11.084 679 H6 PN7 101 2HE1 SAT 101 5.109 -6.032 -12.397 680 H7 PN7 101 3HE1 SAT 101 5.329 -7.776 -12.552 681 H8 PN7 101 2HE2 SAT 101 4.103 -5.341 -10.241 682 H9 PN7 101 3HE2 SAT 101 2.631 -6.159 -9.718 683 H10 PN7 101 1HE2 SAT 101 2.673 -5.326 -11.273 684 H11 PN7 101 3H SAT 101 1.725 -7.352 -12.017 685 H12 PN7 101 5H SAT 101 2.052 -5.135 -13.596 686 H13 PN7 101 1H6 SAT 101 1.034 -5.312 -15.711 687 H14 PN7 101 2H6 SAT 101 2.132 -6.645 -16.068 688 H15 PN7 101 1H7 SAT 101 -0.446 -7.114 -15.867 689 H16 PN7 101 2H7 SAT 101 -0.130 -7.062 -14.133 690 H17 PN7 101 9H SAT 101 0.509 -10.209 -13.968 691 H18 PN7 101 1H10 SAT 101 -1.930 -9.159 -14.549 692 H19 PN7 101 2H10 SAT 101 -1.345 -9.577 -16.159 693 H20 PN7 101 1H11 SAT 101 -2.307 -11.597 -15.700 694 H21 PN7 101 2H11 SAT 101 -2.242 -11.343 -13.956 695 H22 PN7 101 2HS1 SAT 101 -0.411 -13.058 -14.224 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -0.589 12.766 0.072 2 H2 MET 1 2HT MET 1 1.012 13.334 0.061 3 H3 MET 1 3HT MET 1 -0.106 13.957 1.178 4 HA MET 1 HA MET 1 0.698 11.108 1.116 5 HB2 MET 1 2HB MET 1 1.813 13.420 2.730 6 HB3 MET 1 1HB MET 1 2.117 11.722 3.099 7 HG2 MET 1 2HG MET 1 2.999 11.454 0.755 8 HG3 MET 1 1HG MET 1 2.865 13.200 0.565 9 HE1 MET 1 1HE MET 1 4.634 11.116 3.967 10 HE2 MET 1 2HE MET 1 5.634 10.519 2.646 11 HE3 MET 1 3HE MET 1 3.881 10.377 2.547 12 H GLN 2 H GLN 2 -1.903 12.555 1.439 13 HA GLN 2 HA GLN 2 -2.656 12.772 4.165 14 HB2 GLN 2 2HB GLN 2 -4.045 13.496 2.204 15 HB3 GLN 2 1HB GLN 2 -4.393 11.799 1.876 16 HG2 GLN 2 2HG GLN 2 -6.233 12.611 3.169 17 HG3 GLN 2 1HG GLN 2 -5.255 11.643 4.271 18 HE21 GLN 2 1HE2 GLN 2 -4.828 12.665 6.227 19 HE22 GLN 2 2HE2 GLN 2 -4.771 14.345 6.461 20 H HIS 3 H HIS 3 -2.642 9.946 1.999 21 HA HIS 3 HA HIS 3 -3.126 8.229 4.405 22 HB2 HIS 3 2HB HIS 3 -3.781 7.636 1.504 23 HB3 HIS 3 1HB HIS 3 -4.118 6.583 2.878 24 HD1 HIS 3 1HD HIS 3 -5.196 9.824 1.294 25 HD2 HIS 3 2HD HIS 3 -6.333 7.364 4.464 26 HE1 HIS 3 1HE HIS 3 -7.438 10.686 2.102 27 HE2 HIS 3 2HE HIS 3 -8.141 9.195 4.029 28 H ALA 4 H ALA 4 -0.705 9.257 2.468 29 HA ALA 4 HA ALA 4 0.586 6.918 1.533 30 HB1 ALA 4 1HB ALA 4 1.510 8.992 0.847 31 HB2 ALA 4 2HB ALA 4 2.723 8.298 1.923 32 HB3 ALA 4 3HB ALA 4 1.650 9.569 2.508 33 H SER 5 H SER 5 0.597 8.402 4.763 34 HA SER 5 HA SER 5 2.624 6.741 5.886 35 HB2 SER 5 2HB SER 5 0.207 7.896 7.302 36 HB3 SER 5 1HB SER 5 1.713 7.380 8.055 37 HG SER 5 HG SER 5 2.732 9.092 7.220 38 H VAL 6 H VAL 6 -0.904 6.299 5.689 39 HA VAL 6 HA VAL 6 -0.941 3.807 7.120 40 HB VAL 6 HB VAL 6 -2.820 4.926 5.028 41 HG11 VAL 6 1HG1 VAL 6 -3.033 2.486 6.808 42 HG12 VAL 6 2HG1 VAL 6 -3.114 2.536 5.047 43 HG13 VAL 6 3HG1 VAL 6 -4.422 3.223 6.010 44 HG21 VAL 6 1HG2 VAL 6 -2.399 5.398 7.861 45 HG22 VAL 6 2HG2 VAL 6 -4.023 4.782 7.565 46 HG23 VAL 6 3HG2 VAL 6 -3.472 6.240 6.743 47 H ILE 7 H ILE 7 -0.561 4.627 3.695 48 HA ILE 7 HA ILE 7 -0.648 1.985 2.658 49 HB ILE 7 HB ILE 7 0.944 4.389 1.720 50 HG12 ILE 7 2HG1 ILE 7 -1.675 3.270 0.684 51 HG13 ILE 7 1HG1 ILE 7 -1.592 4.559 1.883 52 HG21 ILE 7 1HG2 ILE 7 0.922 3.185 -0.479 53 HG22 ILE 7 2HG2 ILE 7 0.250 1.775 0.340 54 HG23 ILE 7 3HG2 ILE 7 1.865 2.348 0.754 55 HD11 ILE 7 1HD1 ILE 7 0.181 5.146 -0.321 56 HD12 ILE 7 2HD1 ILE 7 -1.179 6.088 0.290 57 HD13 ILE 7 3HD1 ILE 7 -1.449 4.834 -0.921 58 H ALA 8 H ALA 8 2.157 3.921 3.734 59 HA ALA 8 HA ALA 8 4.094 1.847 3.343 60 HB1 ALA 8 1HB ALA 8 4.467 4.371 3.817 61 HB2 ALA 8 2HB ALA 8 5.589 3.227 4.553 62 HB3 ALA 8 3HB ALA 8 4.291 3.932 5.515 63 H GLN 9 H GLN 9 2.296 2.884 6.227 64 HA GLN 9 HA GLN 9 3.334 0.893 7.991 65 HB2 GLN 9 2HB GLN 9 2.089 2.910 8.740 66 HB3 GLN 9 1HB GLN 9 0.618 2.246 8.034 67 HG2 GLN 9 2HG GLN 9 1.649 0.187 9.636 68 HG3 GLN 9 1HG GLN 9 1.840 1.654 10.594 69 HE21 GLN 9 1HE2 GLN 9 -0.646 0.068 8.509 70 HE22 GLN 9 2HE2 GLN 9 -1.963 0.538 9.473 71 H PHE 10 H PHE 10 0.544 0.924 5.821 72 HA PHE 10 HA PHE 10 -0.557 -1.584 6.654 73 HB2 PHE 10 2HB PHE 10 -1.758 0.169 5.331 74 HB3 PHE 10 1HB PHE 10 -0.768 -0.260 3.939 75 HD1 PHE 10 1HD PHE 10 -3.356 -1.466 6.293 76 HD2 PHE 10 2HD PHE 10 -1.168 -2.274 2.687 77 HE1 PHE 10 1HE PHE 10 -4.933 -3.298 5.749 78 HE2 PHE 10 2HE PHE 10 -2.745 -4.110 2.143 79 HZ PHE 10 HZ PHE 10 -4.629 -4.616 3.673 80 H VAL 11 H VAL 11 1.480 -0.781 3.821 81 HA VAL 11 HA VAL 11 1.781 -3.560 3.074 82 HB VAL 11 HB VAL 11 3.409 -2.730 1.455 83 HG11 VAL 11 1HG1 VAL 11 1.385 -0.540 1.475 84 HG12 VAL 11 2HG1 VAL 11 0.791 -2.199 1.417 85 HG13 VAL 11 3HG1 VAL 11 1.873 -1.605 0.158 86 HG21 VAL 11 1HG2 VAL 11 4.753 -1.119 2.402 87 HG22 VAL 11 2HG2 VAL 11 3.428 -0.411 3.323 88 HG23 VAL 11 3HG2 VAL 11 3.595 -0.054 1.605 89 H VAL 12 H VAL 12 3.817 -1.250 4.860 90 HA VAL 12 HA VAL 12 6.092 -2.966 5.090 91 HB VAL 12 HB VAL 12 5.155 -0.766 6.938 92 HG11 VAL 12 1HG1 VAL 12 7.531 -0.686 7.636 93 HG12 VAL 12 2HG1 VAL 12 7.865 -2.089 6.619 94 HG13 VAL 12 3HG1 VAL 12 6.797 -2.243 8.011 95 HG21 VAL 12 1HG2 VAL 12 6.228 0.737 5.557 96 HG22 VAL 12 2HG2 VAL 12 5.765 -0.455 4.343 97 HG23 VAL 12 3HG2 VAL 12 7.401 -0.457 5.001 98 H GLU 13 H GLU 13 3.186 -2.611 7.080 99 HA GLU 13 HA GLU 13 3.991 -4.132 9.317 100 HB2 GLU 13 2HB GLU 13 1.851 -2.872 9.160 101 HB3 GLU 13 1HB GLU 13 1.245 -4.109 8.065 102 HG2 GLU 13 2HG GLU 13 1.634 -5.822 9.826 103 HG3 GLU 13 1HG GLU 13 2.126 -4.533 10.922 104 H GLU 14 H GLU 14 2.871 -5.197 6.148 105 HA GLU 14 HA GLU 14 2.529 -7.962 6.842 106 HB2 GLU 14 2HB GLU 14 3.173 -6.643 4.191 107 HB3 GLU 14 1HB GLU 14 2.740 -8.344 4.374 108 HG2 GLU 14 2HG GLU 14 0.592 -7.660 5.420 109 HG3 GLU 14 1HG GLU 14 1.020 -5.970 5.154 110 H PHE 15 H PHE 15 5.345 -6.045 5.936 111 HA PHE 15 HA PHE 15 7.034 -8.428 6.541 112 HB2 PHE 15 2HB PHE 15 8.091 -6.658 4.428 113 HB3 PHE 15 1HB PHE 15 8.090 -8.420 4.527 114 HD1 PHE 15 1HD PHE 15 6.318 -5.457 3.342 115 HD2 PHE 15 2HD PHE 15 6.079 -9.715 3.852 116 HE1 PHE 15 1HE PHE 15 4.396 -5.534 1.783 117 HE2 PHE 15 2HE PHE 15 4.155 -9.794 2.289 118 HZ PHE 15 HZ PHE 15 3.313 -7.704 1.254 119 H LEU 16 H LEU 16 6.489 -6.299 8.340 120 HA LEU 16 HA LEU 16 8.638 -4.354 8.130 121 HB2 LEU 16 2HB LEU 16 7.632 -3.247 9.850 122 HB3 LEU 16 1HB LEU 16 6.266 -4.230 9.370 123 HG LEU 16 HG LEU 16 8.212 -4.876 11.612 124 HD11 LEU 16 1HD1 LEU 16 6.795 -3.102 12.314 125 HD12 LEU 16 2HD1 LEU 16 6.077 -4.573 12.971 126 HD13 LEU 16 3HD1 LEU 16 5.386 -3.821 11.534 127 HD21 LEU 16 1HD2 LEU 16 5.654 -6.312 11.483 128 HD22 LEU 16 2HD2 LEU 16 7.277 -6.946 11.748 129 HD23 LEU 16 3HD2 LEU 16 6.698 -6.664 10.110 130 HA PRO 17 HA PRO 17 11.596 -6.974 10.237 131 HB2 PRO 17 2HB PRO 17 13.612 -5.182 10.506 132 HB3 PRO 17 1HB PRO 17 13.170 -5.850 8.924 133 HG2 PRO 17 2HG PRO 17 12.466 -3.214 10.121 134 HG3 PRO 17 1HG PRO 17 12.970 -3.600 8.469 135 HD2 PRO 17 2HD PRO 17 10.352 -3.210 9.199 136 HD3 PRO 17 1HD PRO 17 10.858 -4.225 7.831 137 H ASP 18 H ASP 18 13.411 -5.671 12.170 138 HA ASP 18 HA ASP 18 11.618 -5.635 14.467 139 HB2 ASP 18 2HB ASP 18 14.592 -5.170 14.185 140 HB3 ASP 18 1HB ASP 18 13.746 -5.199 15.727 141 H VAL 19 H VAL 19 11.923 -3.448 12.189 142 HA VAL 19 HA VAL 19 12.112 -1.104 14.043 143 HB VAL 19 HB VAL 19 12.406 -1.129 11.027 144 HG11 VAL 19 1HG1 VAL 19 11.860 1.061 11.637 145 HG12 VAL 19 2HG1 VAL 19 13.621 1.090 11.713 146 HG13 VAL 19 3HG1 VAL 19 12.677 0.939 13.195 147 HG21 VAL 19 1HG2 VAL 19 14.233 -2.412 11.994 148 HG22 VAL 19 2HG2 VAL 19 14.498 -1.179 13.226 149 HG23 VAL 19 3HG2 VAL 19 14.851 -0.826 11.535 150 H ALA 20 H ALA 20 10.333 0.236 14.201 151 HA ALA 20 HA ALA 20 7.830 -0.662 13.034 152 HB1 ALA 20 1HB ALA 20 8.539 0.884 15.230 153 HB2 ALA 20 2HB ALA 20 6.897 0.635 14.637 154 HB3 ALA 20 3HB ALA 20 7.815 2.051 14.123 155 HA PRO 21 HA PRO 21 8.091 1.480 9.111 156 HB2 PRO 21 2HB PRO 21 5.288 2.341 9.660 157 HB3 PRO 21 1HB PRO 21 5.962 1.538 8.229 158 HG2 PRO 21 2HG PRO 21 4.482 0.237 10.048 159 HG3 PRO 21 1HG PRO 21 5.794 -0.539 9.148 160 HD2 PRO 21 2HD PRO 21 5.697 0.234 12.007 161 HD3 PRO 21 1HD PRO 21 6.693 -0.991 11.189 162 H ALA 22 H ALA 22 6.833 3.095 11.975 163 HA ALA 22 HA ALA 22 6.879 5.780 10.961 164 HB1 ALA 22 1HB ALA 22 6.084 6.235 13.023 165 HB2 ALA 22 2HB ALA 22 7.563 5.635 13.775 166 HB3 ALA 22 3HB ALA 22 6.249 4.520 13.400 167 H ASP 23 H ASP 23 9.359 3.614 12.058 168 HA ASP 23 HA ASP 23 11.348 5.823 12.155 169 HB2 ASP 23 2HB ASP 23 11.525 2.901 12.950 170 HB3 ASP 23 1HB ASP 23 12.879 4.028 13.025 171 H VAL 24 H VAL 24 9.976 4.027 9.855 172 HA VAL 24 HA VAL 24 12.509 3.446 8.394 173 HB VAL 24 HB VAL 24 9.665 2.632 7.711 174 HG11 VAL 24 1HG1 VAL 24 12.348 1.687 6.652 175 HG12 VAL 24 2HG1 VAL 24 11.231 2.748 5.791 176 HG13 VAL 24 3HG1 VAL 24 10.767 1.084 6.151 177 HG21 VAL 24 1HG2 VAL 24 10.242 0.445 8.594 178 HG22 VAL 24 2HG2 VAL 24 10.557 1.644 9.849 179 HG23 VAL 24 3HG2 VAL 24 11.896 0.968 8.920 180 H ASP 25 H ASP 25 13.000 4.620 6.555 181 HA ASP 25 HA ASP 25 11.665 7.127 6.139 182 HB2 ASP 25 2HB ASP 25 13.637 5.606 4.408 183 HB3 ASP 25 1HB ASP 25 13.114 7.260 4.091 184 H VAL 26 H VAL 26 9.477 6.813 5.635 185 HA VAL 26 HA VAL 26 8.472 4.906 3.762 186 HB VAL 26 HB VAL 26 6.440 6.247 3.749 187 HG11 VAL 26 1HG1 VAL 26 7.714 5.277 6.048 188 HG12 VAL 26 2HG1 VAL 26 6.001 5.661 5.883 189 HG13 VAL 26 3HG1 VAL 26 7.120 6.873 6.508 190 HG21 VAL 26 1HG2 VAL 26 6.863 8.469 5.288 191 HG22 VAL 26 2HG2 VAL 26 6.844 8.481 3.525 192 HG23 VAL 26 3HG2 VAL 26 8.378 8.388 4.389 193 H ASP 27 H ASP 27 10.688 7.177 3.093 194 HA ASP 27 HA ASP 27 9.543 8.040 0.497 195 HB2 ASP 27 2HB ASP 27 12.154 8.711 1.895 196 HB3 ASP 27 1HB ASP 27 11.679 9.347 0.319 197 H LEU 28 H LEU 28 10.794 5.302 1.568 198 HA LEU 28 HA LEU 28 12.819 4.833 -0.525 199 HB2 LEU 28 2HB LEU 28 13.056 3.889 1.786 200 HB3 LEU 28 1HB LEU 28 11.635 2.895 1.481 201 HG LEU 28 HG LEU 28 12.974 2.154 -0.666 202 HD11 LEU 28 1HD1 LEU 28 15.142 3.154 1.200 203 HD12 LEU 28 2HD1 LEU 28 14.816 3.721 -0.437 204 HD13 LEU 28 3HD1 LEU 28 15.428 2.088 -0.174 205 HD21 LEU 28 1HD2 LEU 28 14.132 0.397 0.791 206 HD22 LEU 28 2HD2 LEU 28 12.387 0.554 1.004 207 HD23 LEU 28 3HD2 LEU 28 13.488 1.272 2.181 208 H ASP 29 H ASP 29 12.449 3.633 -2.371 209 HA ASP 29 HA ASP 29 9.761 3.337 -3.296 210 HB2 ASP 29 2HB ASP 29 12.334 2.045 -4.257 211 HB3 ASP 29 1HB ASP 29 10.800 1.964 -5.125 212 H LEU 30 H LEU 30 8.324 1.821 -2.665 213 HA LEU 30 HA LEU 30 9.079 -0.358 -0.937 214 HB2 LEU 30 2HB LEU 30 6.680 -1.063 -1.258 215 HB3 LEU 30 1HB LEU 30 6.860 0.615 -0.745 216 HG LEU 30 HG LEU 30 6.949 0.285 -3.650 217 HD11 LEU 30 1HD1 LEU 30 5.350 -1.438 -3.448 218 HD12 LEU 30 2HD1 LEU 30 4.370 0.011 -3.673 219 HD13 LEU 30 3HD1 LEU 30 4.575 -0.674 -2.060 220 HD21 LEU 30 1HD2 LEU 30 5.578 2.233 -3.593 221 HD22 LEU 30 2HD2 LEU 30 6.697 2.407 -2.241 222 HD23 LEU 30 3HD2 LEU 30 5.036 1.890 -1.951 223 H VAL 31 H VAL 31 9.670 -0.010 -4.128 224 HA VAL 31 HA VAL 31 8.741 -2.338 -5.402 225 HB VAL 31 HB VAL 31 10.110 -0.406 -6.397 226 HG11 VAL 31 1HG1 VAL 31 12.456 -2.165 -5.679 227 HG12 VAL 31 2HG1 VAL 31 11.969 -0.818 -4.652 228 HG13 VAL 31 3HG1 VAL 31 12.476 -0.521 -6.316 229 HG21 VAL 31 1HG2 VAL 31 10.106 -3.268 -7.049 230 HG22 VAL 31 2HG2 VAL 31 11.473 -2.402 -7.751 231 HG23 VAL 31 3HG2 VAL 31 9.825 -1.879 -8.099 232 H ASP 32 H ASP 32 11.455 -1.935 -3.168 233 HA ASP 32 HA ASP 32 12.673 -4.477 -3.519 234 HB2 ASP 32 2HB ASP 32 12.369 -2.786 -1.017 235 HB3 ASP 32 1HB ASP 32 13.413 -4.203 -1.129 236 H ASN 33 H ASN 33 9.916 -3.460 -1.560 237 HA ASN 33 HA ASN 33 9.439 -6.242 -0.691 238 HB2 ASN 33 2HB ASN 33 7.680 -5.300 0.715 239 HB3 ASN 33 1HB ASN 33 9.160 -4.368 0.931 240 HD21 ASN 33 1HD2 ASN 33 8.337 -2.289 1.341 241 HD22 ASN 33 2HD2 ASN 33 7.305 -1.452 0.288 242 H GLY 34 H GLY 34 9.122 -4.956 -3.487 243 HA2 GLY 34 2HA GLY 34 6.540 -4.732 -4.408 244 HA3 GLY 34 1HA GLY 34 7.791 -5.557 -5.336 245 H VAL 35 H VAL 35 7.827 -7.481 -2.829 246 HA VAL 35 HA VAL 35 6.467 -9.644 -3.976 247 HB VAL 35 HB VAL 35 6.963 -8.985 -1.057 248 HG11 VAL 35 1HG1 VAL 35 5.476 -10.636 -0.618 249 HG12 VAL 35 2HG1 VAL 35 6.712 -11.728 -1.241 250 HG13 VAL 35 3HG1 VAL 35 5.426 -11.156 -2.304 251 HG21 VAL 35 1HG2 VAL 35 8.939 -10.179 -1.281 252 HG22 VAL 35 2HG2 VAL 35 8.812 -9.490 -2.899 253 HG23 VAL 35 3HG2 VAL 35 8.318 -11.159 -2.609 254 H ILE 36 H ILE 36 5.244 -7.021 -1.980 255 HA ILE 36 HA ILE 36 2.621 -8.130 -1.526 256 HB ILE 36 HB ILE 36 3.801 -6.144 -0.336 257 HG12 ILE 36 2HG1 ILE 36 0.911 -5.948 -1.240 258 HG13 ILE 36 1HG1 ILE 36 1.501 -6.853 0.152 259 HG21 ILE 36 1HG2 ILE 36 4.088 -5.006 -2.649 260 HG22 ILE 36 2HG2 ILE 36 3.573 -3.998 -1.296 261 HG23 ILE 36 3HG2 ILE 36 2.390 -4.558 -2.478 262 HD11 ILE 36 1HD1 ILE 36 1.678 -3.851 -0.230 263 HD12 ILE 36 2HD1 ILE 36 2.356 -4.736 1.137 264 HD13 ILE 36 3HD1 ILE 36 0.611 -4.696 0.892 265 H ASP 37 H ASP 37 4.113 -6.441 -4.175 266 HA ASP 37 HA ASP 37 1.804 -5.374 -5.434 267 HB2 ASP 37 2HB ASP 37 4.389 -6.372 -6.652 268 HB3 ASP 37 1HB ASP 37 3.172 -5.438 -7.521 269 H SER 38 H SER 38 3.145 -8.658 -5.547 270 HA SER 38 HA SER 38 1.011 -9.380 -7.495 271 HB2 SER 38 2HB SER 38 2.772 -11.563 -6.945 272 HB3 SER 38 1HB SER 38 2.573 -10.665 -8.447 273 H LEU 39 H LEU 39 2.581 -11.065 -4.757 274 HA LEU 39 HA LEU 39 0.271 -12.720 -4.335 275 HB2 LEU 39 2HB LEU 39 2.613 -13.366 -3.747 276 HB3 LEU 39 1HB LEU 39 2.545 -12.207 -2.424 277 HG LEU 39 HG LEU 39 0.274 -14.091 -2.529 278 HD11 LEU 39 1HD1 LEU 39 3.112 -15.002 -1.995 279 HD12 LEU 39 2HD1 LEU 39 1.973 -15.673 -3.164 280 HD13 LEU 39 3HD1 LEU 39 1.691 -15.887 -1.437 281 HD21 LEU 39 1HD2 LEU 39 0.782 -14.164 -0.084 282 HD22 LEU 39 2HD2 LEU 39 0.578 -12.517 -0.678 283 HD23 LEU 39 3HD2 LEU 39 2.195 -13.151 -0.376 284 H GLY 40 H GLY 40 1.600 -10.022 -2.418 285 HA2 GLY 40 2HA GLY 40 -0.535 -10.078 -0.496 286 HA3 GLY 40 1HA GLY 40 0.588 -8.746 -0.730 287 H LEU 41 H LEU 41 -0.002 -8.141 -3.428 288 HA LEU 41 HA LEU 41 -2.266 -6.444 -3.092 289 HB2 LEU 41 2HB LEU 41 -0.405 -6.079 -4.739 290 HB3 LEU 41 1HB LEU 41 -1.078 -7.385 -5.712 291 HG LEU 41 HG LEU 41 -3.010 -5.289 -4.899 292 HD11 LEU 41 1HD1 LEU 41 -1.383 -3.696 -5.402 293 HD12 LEU 41 2HD1 LEU 41 -2.113 -3.959 -6.986 294 HD13 LEU 41 3HD1 LEU 41 -0.584 -4.737 -6.579 295 HD21 LEU 41 1HD2 LEU 41 -2.330 -6.715 -7.493 296 HD22 LEU 41 2HD2 LEU 41 -3.669 -5.585 -7.298 297 HD23 LEU 41 3HD2 LEU 41 -3.660 -7.104 -6.404 298 H LEU 42 H LEU 42 -1.933 -9.566 -4.786 299 HA LEU 42 HA LEU 42 -4.559 -9.633 -5.860 300 HB2 LEU 42 2HB LEU 42 -2.753 -11.269 -6.421 301 HB3 LEU 42 1HB LEU 42 -2.960 -11.992 -4.833 302 HG LEU 42 HG LEU 42 -5.372 -12.397 -5.387 303 HD11 LEU 42 1HD1 LEU 42 -4.427 -11.130 -7.924 304 HD12 LEU 42 2HD1 LEU 42 -5.969 -10.949 -7.090 305 HD13 LEU 42 3HD1 LEU 42 -5.639 -12.405 -8.027 306 HD21 LEU 42 1HD2 LEU 42 -4.883 -14.270 -6.987 307 HD22 LEU 42 2HD2 LEU 42 -3.769 -14.215 -5.621 308 HD23 LEU 42 3HD2 LEU 42 -3.261 -13.611 -7.198 309 H LYS 43 H LYS 43 -3.364 -10.754 -2.689 310 HA LYS 43 HA LYS 43 -5.942 -11.671 -1.794 311 HB2 LYS 43 2HB LYS 43 -3.480 -10.821 -0.262 312 HB3 LYS 43 1HB LYS 43 -4.881 -11.598 0.463 313 HG2 LYS 43 2HG LYS 43 -4.571 -13.523 -1.099 314 HG3 LYS 43 1HG LYS 43 -3.095 -12.759 -1.691 315 HD2 LYS 43 2HD LYS 43 -2.197 -12.782 0.638 316 HD3 LYS 43 1HD LYS 43 -3.638 -13.660 1.153 317 HE2 LYS 43 2HE LYS 43 -3.000 -15.315 -0.776 318 HE3 LYS 43 1HE LYS 43 -1.401 -14.585 -0.631 319 HZ1 LYS 43 1HZ LYS 43 -2.939 -15.827 1.585 320 HZ2 LYS 43 2HZ LYS 43 -1.395 -15.131 1.718 321 HZ3 LYS 43 3HZ LYS 43 -1.621 -16.532 0.784 322 H VAL 44 H VAL 44 -4.208 -8.596 -1.575 323 HA VAL 44 HA VAL 44 -6.016 -7.322 0.249 324 HB VAL 44 HB VAL 44 -4.164 -6.163 -1.844 325 HG11 VAL 44 1HG1 VAL 44 -5.833 -4.502 -1.328 326 HG12 VAL 44 2HG1 VAL 44 -4.383 -4.086 -0.413 327 HG13 VAL 44 3HG1 VAL 44 -5.743 -4.869 0.394 328 HG21 VAL 44 1HG2 VAL 44 -3.634 -5.926 1.060 329 HG22 VAL 44 2HG2 VAL 44 -2.522 -6.284 -0.261 330 HG23 VAL 44 3HG2 VAL 44 -3.534 -7.562 0.410 331 H ILE 45 H ILE 45 -5.880 -7.194 -3.336 332 HA ILE 45 HA ILE 45 -8.061 -5.414 -3.637 333 HB ILE 45 HB ILE 45 -7.197 -7.672 -5.467 334 HG12 ILE 45 2HG1 ILE 45 -5.345 -6.147 -5.113 335 HG13 ILE 45 1HG1 ILE 45 -6.030 -5.800 -6.693 336 HG21 ILE 45 1HG2 ILE 45 -9.405 -6.924 -6.053 337 HG22 ILE 45 2HG2 ILE 45 -8.275 -6.225 -7.211 338 HG23 ILE 45 3HG2 ILE 45 -8.925 -5.234 -5.905 339 HD11 ILE 45 1HD1 ILE 45 -7.482 -4.059 -5.370 340 HD12 ILE 45 2HD1 ILE 45 -5.815 -3.665 -5.789 341 HD13 ILE 45 3HD1 ILE 45 -6.208 -4.205 -4.157 342 H ALA 46 H ALA 46 -8.055 -8.982 -3.517 343 HA ALA 46 HA ALA 46 -10.895 -9.230 -3.879 344 HB1 ALA 46 1HB ALA 46 -8.729 -11.019 -2.807 345 HB2 ALA 46 2HB ALA 46 -9.686 -11.199 -4.278 346 HB3 ALA 46 3HB ALA 46 -10.420 -11.512 -2.706 347 H TRP 47 H TRP 47 -8.866 -9.203 -0.941 348 HA TRP 47 HA TRP 47 -11.165 -9.435 0.823 349 HB2 TRP 47 2HB TRP 47 -9.265 -10.299 1.811 350 HB3 TRP 47 1HB TRP 47 -8.226 -9.034 1.157 351 HD1 TRP 47 HD TRP 47 -11.438 -8.665 3.290 352 HE1 TRP 47 1HE TRP 47 -10.834 -7.247 5.360 353 HE3 TRP 47 3HE TRP 47 -6.456 -8.090 2.508 354 HZ2 TRP 47 2HZ TRP 47 -8.512 -6.024 6.529 355 HZ3 TRP 47 3HZ TRP 47 -5.054 -6.806 4.101 356 HH2 TRP 47 HH TRP 47 -6.077 -5.770 6.107 357 H LEU 48 H LEU 48 -8.976 -6.778 -0.079 358 HA LEU 48 HA LEU 48 -10.103 -4.774 1.558 359 HB2 LEU 48 2HB LEU 48 -8.000 -4.569 0.192 360 HB3 LEU 48 1HB LEU 48 -9.004 -4.396 -1.238 361 HG LEU 48 HG LEU 48 -10.165 -2.495 0.116 362 HD11 LEU 48 1HD1 LEU 48 -8.410 -3.347 2.043 363 HD12 LEU 48 2HD1 LEU 48 -9.154 -1.749 2.008 364 HD13 LEU 48 3HD1 LEU 48 -7.539 -1.986 1.341 365 HD21 LEU 48 1HD2 LEU 48 -9.108 -1.613 -1.708 366 HD22 LEU 48 2HD2 LEU 48 -7.647 -2.566 -1.439 367 HD23 LEU 48 3HD2 LEU 48 -7.917 -1.085 -0.518 368 H GLU 49 H GLU 49 -11.053 -5.861 -1.706 369 HA GLU 49 HA GLU 49 -13.085 -3.885 -2.095 370 HB2 GLU 49 2HB GLU 49 -12.520 -5.035 -4.051 371 HB3 GLU 49 1HB GLU 49 -12.565 -6.607 -3.264 372 HG2 GLU 49 2HG GLU 49 -14.957 -6.580 -3.164 373 HG3 GLU 49 1HG GLU 49 -15.020 -4.894 -3.660 374 H ASP 50 H ASP 50 -13.125 -7.045 -0.493 375 HA ASP 50 HA ASP 50 -15.939 -7.256 -0.164 376 HB2 ASP 50 2HB ASP 50 -14.232 -9.044 0.345 377 HB3 ASP 50 1HB ASP 50 -13.861 -8.165 1.826 378 H ARG 51 H ARG 51 -13.501 -5.581 1.808 379 HA ARG 51 HA ARG 51 -15.431 -4.815 3.837 380 HB2 ARG 51 2HB ARG 51 -12.608 -3.917 3.249 381 HB3 ARG 51 1HB ARG 51 -13.554 -3.306 4.603 382 HG2 ARG 51 2HG ARG 51 -13.887 -5.686 5.355 383 HG3 ARG 51 1HG ARG 51 -12.756 -6.182 4.095 384 HD2 ARG 51 2HD ARG 51 -12.148 -4.258 6.358 385 HD3 ARG 51 1HD ARG 51 -11.588 -5.925 6.248 386 HE ARG 51 HE ARG 51 -10.701 -4.736 3.893 387 HH11 ARG 51 1HH1 ARG 51 -8.659 -3.776 3.737 388 HH12 ARG 51 2HH1 ARG 51 -7.874 -3.202 5.170 389 HH21 ARG 51 1HH2 ARG 51 -10.455 -4.152 7.283 390 HH22 ARG 51 2HH2 ARG 51 -8.891 -3.415 7.177 391 H PHE 52 H PHE 52 -13.899 -3.052 1.105 392 HA PHE 52 HA PHE 52 -15.670 -0.751 1.741 393 HB2 PHE 52 2HB PHE 52 -13.247 -1.026 -0.049 394 HB3 PHE 52 1HB PHE 52 -14.203 0.446 0.094 395 HD1 PHE 52 1HD PHE 52 -11.753 -1.730 1.701 396 HD2 PHE 52 2HD PHE 52 -14.327 1.663 2.262 397 HE1 PHE 52 1HE PHE 52 -10.497 -1.116 3.749 398 HE2 PHE 52 2HE PHE 52 -13.071 2.277 4.310 399 HZ PHE 52 HZ PHE 52 -11.157 0.888 5.054 400 H GLY 53 H GLY 53 -15.643 -3.441 -0.280 401 HA2 GLY 53 2HA GLY 53 -17.040 -4.011 -2.084 402 HA3 GLY 53 1HA GLY 53 -17.955 -2.544 -1.734 403 H ILE 54 H ILE 54 -14.506 -2.488 -2.423 404 HA ILE 54 HA ILE 54 -15.031 -0.681 -4.688 405 HB ILE 54 HB ILE 54 -12.429 -1.693 -3.505 406 HG12 ILE 54 2HG1 ILE 54 -13.736 1.031 -3.274 407 HG13 ILE 54 1HG1 ILE 54 -13.929 -0.235 -2.064 408 HG21 ILE 54 1HG2 ILE 54 -11.641 0.466 -4.767 409 HG22 ILE 54 2HG2 ILE 54 -13.095 0.215 -5.734 410 HG23 ILE 54 3HG2 ILE 54 -11.847 -1.031 -5.676 411 HD11 ILE 54 1HD1 ILE 54 -12.100 1.312 -1.450 412 HD12 ILE 54 2HD1 ILE 54 -11.282 0.938 -2.968 413 HD13 ILE 54 3HD1 ILE 54 -11.487 -0.316 -1.745 414 H ALA 55 H ALA 55 -14.453 -1.111 -6.853 415 HA ALA 55 HA ALA 55 -14.803 -3.789 -7.762 416 HB1 ALA 55 1HB ALA 55 -15.231 -2.428 -9.537 417 HB2 ALA 55 2HB ALA 55 -13.502 -2.581 -9.850 418 HB3 ALA 55 3HB ALA 55 -14.119 -1.183 -8.969 419 H ALA 56 H ALA 56 -13.277 -5.305 -8.549 420 HA ALA 56 HA ALA 56 -10.843 -5.511 -7.114 421 HB1 ALA 56 1HB ALA 56 -11.906 -6.852 -9.591 422 HB2 ALA 56 2HB ALA 56 -11.651 -7.537 -7.987 423 HB3 ALA 56 3HB ALA 56 -10.271 -7.189 -9.026 424 H ASP 57 H ASP 57 -11.564 -4.041 -10.234 425 HA ASP 57 HA ASP 57 -10.198 -2.815 -11.700 426 HB2 ASP 57 2HB ASP 57 -10.062 -1.444 -9.586 427 HB3 ASP 57 1HB ASP 57 -8.567 -2.297 -9.211 428 H ASP 58 H ASP 58 -9.637 -5.567 -11.649 429 HA ASP 58 HA ASP 58 -6.688 -5.802 -11.533 430 HB2 ASP 58 2HB ASP 58 -7.065 -8.193 -11.879 431 HB3 ASP 58 1HB ASP 58 -8.109 -7.611 -10.581 432 H VAL 59 H VAL 59 -8.463 -4.360 -13.669 433 HA VAL 59 HA VAL 59 -8.309 -5.699 -16.132 434 HB VAL 59 HB VAL 59 -8.018 -2.768 -15.484 435 HG11 VAL 59 1HG1 VAL 59 -7.730 -4.230 -18.030 436 HG12 VAL 59 2HG1 VAL 59 -7.199 -2.604 -17.600 437 HG13 VAL 59 3HG1 VAL 59 -8.871 -2.886 -18.084 438 HG21 VAL 59 1HG2 VAL 59 -10.361 -3.777 -16.950 439 HG22 VAL 59 2HG2 VAL 59 -10.289 -2.704 -15.552 440 HG23 VAL 59 3HG2 VAL 59 -10.195 -4.452 -15.329 441 H GLU 60 H GLU 60 -5.806 -3.705 -14.552 442 HA GLU 60 HA GLU 60 -3.678 -5.266 -15.698 443 HB2 GLU 60 2HB GLU 60 -4.428 -4.037 -17.742 444 HB3 GLU 60 1HB GLU 60 -4.066 -2.522 -16.923 445 HG2 GLU 60 2HG GLU 60 -1.722 -3.289 -16.624 446 HG3 GLU 60 1HG GLU 60 -2.106 -4.731 -17.557 447 H LEU 61 H LEU 61 -2.205 -5.123 -14.089 448 HA LEU 61 HA LEU 61 -1.922 -2.525 -12.647 449 HB2 LEU 61 2HB LEU 61 -1.071 -5.293 -11.749 450 HB3 LEU 61 1HB LEU 61 -1.025 -3.818 -10.782 451 HG LEU 61 HG LEU 61 -3.647 -3.905 -11.681 452 HD11 LEU 61 1HD1 LEU 61 -4.448 -6.156 -11.257 453 HD12 LEU 61 2HD1 LEU 61 -2.827 -6.692 -10.813 454 HD13 LEU 61 3HD1 LEU 61 -3.181 -6.242 -12.481 455 HD21 LEU 61 1HD2 LEU 61 -4.133 -4.571 -9.316 456 HD22 LEU 61 2HD2 LEU 61 -2.940 -3.278 -9.430 457 HD23 LEU 61 3HD2 LEU 61 -2.420 -4.930 -9.101 458 H SER 62 H SER 62 0.102 -1.534 -12.635 459 HA SER 62 HA SER 62 2.297 -2.998 -14.023 460 HB2 SER 62 2HB SER 62 2.911 -0.367 -14.426 461 HB3 SER 62 1HB SER 62 2.037 -1.366 -15.584 462 HG SER 62 HG SER 62 0.719 -0.010 -13.485 463 HA PRO 63 HA PRO 63 4.568 -2.302 -10.259 464 HB2 PRO 63 2HB PRO 63 7.134 -2.280 -11.307 465 HB3 PRO 63 1HB PRO 63 6.212 -3.744 -10.919 466 HG2 PRO 63 2HG PRO 63 6.684 -2.438 -13.537 467 HG3 PRO 63 1HG PRO 63 6.536 -4.157 -13.137 468 HD2 PRO 63 2HD PRO 63 4.529 -2.732 -14.319 469 HD3 PRO 63 1HD PRO 63 4.229 -4.126 -13.259 470 H GLU 64 H GLU 64 4.914 -0.190 -13.009 471 HA GLU 64 HA GLU 64 6.675 1.757 -11.930 472 HB2 GLU 64 2HB GLU 64 4.377 2.083 -13.856 473 HB3 GLU 64 1HB GLU 64 5.596 3.310 -13.548 474 HG2 GLU 64 2HG GLU 64 7.348 1.707 -14.252 475 HG3 GLU 64 1HG GLU 64 6.092 0.535 -14.631 476 H HIS 65 H HIS 65 3.219 1.255 -11.454 477 HA HIS 65 HA HIS 65 2.778 3.803 -10.143 478 HB2 HIS 65 2HB HIS 65 0.956 2.507 -11.220 479 HB3 HIS 65 1HB HIS 65 1.136 1.262 -9.984 480 HD1 HIS 65 1HD HIS 65 0.752 5.069 -9.952 481 HD2 HIS 65 2HD HIS 65 -0.664 1.699 -7.944 482 HE1 HIS 65 1HE HIS 65 -0.856 5.911 -8.186 483 HE2 HIS 65 2HE HIS 65 -1.728 3.868 -6.960 484 H PHE 66 H PHE 66 3.871 0.656 -9.055 485 HA PHE 66 HA PHE 66 3.460 1.426 -6.225 486 HB2 PHE 66 2HB PHE 66 4.452 -1.125 -7.520 487 HB3 PHE 66 1HB PHE 66 4.337 -0.891 -5.775 488 HD1 PHE 66 1HD PHE 66 2.187 -0.785 -4.650 489 HD2 PHE 66 2HD PHE 66 2.424 -1.186 -8.921 490 HE1 PHE 66 1HE PHE 66 -0.228 -1.344 -4.733 491 HE2 PHE 66 2HE PHE 66 0.010 -1.747 -9.002 492 HZ PHE 66 HZ PHE 66 -1.316 -1.824 -6.909 493 H ARG 67 H ARG 67 5.724 2.278 -8.372 494 HA ARG 67 HA ARG 67 8.204 1.506 -7.223 495 HB2 ARG 67 2HB ARG 67 7.445 4.064 -8.658 496 HB3 ARG 67 1HB ARG 67 9.100 3.591 -8.283 497 HG2 ARG 67 2HG ARG 67 7.288 1.716 -9.761 498 HG3 ARG 67 1HG ARG 67 8.135 2.992 -10.630 499 HD2 ARG 67 2HD ARG 67 10.281 2.133 -9.580 500 HD3 ARG 67 1HD ARG 67 9.358 0.749 -8.994 501 HE ARG 67 HE ARG 67 9.123 1.228 -11.879 502 HH11 ARG 67 1HH1 ARG 67 9.952 -0.429 -13.173 503 HH12 ARG 67 2HH1 ARG 67 10.946 -1.654 -12.459 504 HH21 ARG 67 1HH2 ARG 67 10.767 -0.310 -9.267 505 HH22 ARG 67 2HH2 ARG 67 11.409 -1.586 -10.247 506 H SER 68 H SER 68 5.948 4.070 -6.293 507 HA SER 68 HA SER 68 7.596 4.449 -3.831 508 HB2 SER 68 2HB SER 68 7.281 6.857 -3.937 509 HB3 SER 68 1HB SER 68 8.011 6.316 -5.446 510 HG SER 68 HG SER 68 6.153 6.654 -6.481 511 H ILE 69 H ILE 69 6.382 5.001 -1.957 512 HA ILE 69 HA ILE 69 3.744 3.920 -1.807 513 HB ILE 69 HB ILE 69 5.130 5.845 0.080 514 HG12 ILE 69 2HG1 ILE 69 5.052 2.824 0.124 515 HG13 ILE 69 1HG1 ILE 69 6.418 3.767 -0.452 516 HG21 ILE 69 1HG2 ILE 69 2.529 4.718 0.066 517 HG22 ILE 69 2HG2 ILE 69 3.295 5.654 1.348 518 HG23 ILE 69 3HG2 ILE 69 3.453 3.897 1.321 519 HD11 ILE 69 1HD1 ILE 69 5.794 4.883 2.034 520 HD12 ILE 69 2HD1 ILE 69 7.159 3.828 1.673 521 HD13 ILE 69 3HD1 ILE 69 5.650 3.141 2.273 522 H ARG 70 H ARG 70 4.947 7.235 -2.163 523 HA ARG 70 HA ARG 70 2.498 8.600 -1.697 524 HB2 ARG 70 2HB ARG 70 4.816 9.337 -3.505 525 HB3 ARG 70 1HB ARG 70 3.526 10.441 -3.025 526 HG2 ARG 70 2HG ARG 70 4.122 10.026 -0.632 527 HG3 ARG 70 1HG ARG 70 5.484 9.047 -1.177 528 HD2 ARG 70 2HD ARG 70 5.036 11.983 -1.792 529 HD3 ARG 70 1HD ARG 70 6.249 11.323 -0.695 530 HE ARG 70 HE ARG 70 6.735 10.074 -3.146 531 HH11 ARG 70 1HH1 ARG 70 8.227 10.917 -4.619 532 HH12 ARG 70 2HH1 ARG 70 8.624 12.602 -4.561 533 HH21 ARG 70 1HH2 ARG 70 6.509 13.281 -1.899 534 HH22 ARG 70 2HH2 ARG 70 7.652 13.940 -3.021 535 H SER 71 H SER 71 3.774 7.123 -4.673 536 HA SER 71 HA SER 71 1.888 8.213 -6.483 537 HB2 SER 71 2HB SER 71 3.076 5.427 -6.556 538 HB3 SER 71 1HB SER 71 2.432 6.331 -7.920 539 HG SER 71 HG SER 71 4.870 6.468 -6.727 540 H ILE 72 H ILE 72 1.695 5.267 -4.479 541 HA ILE 72 HA ILE 72 -0.867 4.432 -5.428 542 HB ILE 72 HB ILE 72 0.448 3.961 -2.736 543 HG12 ILE 72 2HG1 ILE 72 0.463 2.271 -5.257 544 HG13 ILE 72 1HG1 ILE 72 1.811 3.270 -4.716 545 HG21 ILE 72 1HG2 ILE 72 -1.910 3.422 -2.663 546 HG22 ILE 72 2HG2 ILE 72 -1.002 1.914 -2.767 547 HG23 ILE 72 3HG2 ILE 72 -1.802 2.563 -4.198 548 HD11 ILE 72 1HD1 ILE 72 1.387 1.900 -2.445 549 HD12 ILE 72 2HD1 ILE 72 2.440 1.292 -3.722 550 HD13 ILE 72 3HD1 ILE 72 0.781 0.708 -3.595 551 H ASP 73 H ASP 73 0.141 6.564 -2.782 552 HA ASP 73 HA ASP 73 -2.354 6.884 -1.496 553 HB2 ASP 73 2HB ASP 73 -0.098 7.797 -0.751 554 HB3 ASP 73 1HB ASP 73 -0.334 9.099 -1.915 555 H ALA 74 H ALA 74 -1.032 8.594 -4.333 556 HA ALA 74 HA ALA 74 -3.217 10.441 -4.554 557 HB1 ALA 74 1HB ALA 74 -2.104 9.813 -7.135 558 HB2 ALA 74 2HB ALA 74 -0.809 9.921 -5.945 559 HB3 ALA 74 3HB ALA 74 -1.907 11.281 -6.177 560 H PHE 75 H PHE 75 -2.609 7.309 -6.155 561 HA PHE 75 HA PHE 75 -5.004 7.343 -7.718 562 HB2 PHE 75 2HB PHE 75 -3.115 5.773 -8.103 563 HB3 PHE 75 1HB PHE 75 -3.552 4.929 -6.621 564 HD1 PHE 75 1HD PHE 75 -4.670 5.797 -10.044 565 HD2 PHE 75 2HD PHE 75 -5.465 3.469 -6.523 566 HE1 PHE 75 1HE PHE 75 -6.363 4.485 -11.294 567 HE2 PHE 75 2HE PHE 75 -7.159 2.156 -7.773 568 HZ PHE 75 HZ PHE 75 -7.608 2.665 -10.158 569 H VAL 76 H VAL 76 -4.316 5.935 -4.515 570 HA VAL 76 HA VAL 76 -6.948 4.893 -4.114 571 HB VAL 76 HB VAL 76 -4.760 5.697 -2.183 572 HG11 VAL 76 1HG1 VAL 76 -6.801 5.836 -0.946 573 HG12 VAL 76 2HG1 VAL 76 -6.106 4.258 -0.574 574 HG13 VAL 76 3HG1 VAL 76 -7.443 4.386 -1.716 575 HG21 VAL 76 1HG2 VAL 76 -5.742 2.914 -2.768 576 HG22 VAL 76 2HG2 VAL 76 -4.153 3.436 -2.209 577 HG23 VAL 76 3HG2 VAL 76 -4.625 3.696 -3.887 578 H VAL 77 H VAL 77 -5.449 7.998 -3.123 579 HA VAL 77 HA VAL 77 -7.719 8.965 -1.691 580 HB VAL 77 HB VAL 77 -5.441 10.358 -3.110 581 HG11 VAL 77 1HG1 VAL 77 -6.950 12.097 -3.134 582 HG12 VAL 77 2HG1 VAL 77 -6.361 12.263 -1.480 583 HG13 VAL 77 3HG1 VAL 77 -7.889 11.441 -1.795 584 HG21 VAL 77 1HG2 VAL 77 -5.938 10.467 -0.170 585 HG22 VAL 77 2HG2 VAL 77 -4.411 10.376 -1.048 586 HG23 VAL 77 3HG2 VAL 77 -5.390 8.925 -0.832 587 H GLY 78 H GLY 78 -6.779 9.277 -5.104 588 HA2 GLY 78 2HA GLY 78 -8.810 11.078 -5.905 589 HA3 GLY 78 1HA GLY 78 -8.046 9.902 -6.971 590 H ALA 79 H ALA 79 -8.952 7.583 -5.368 591 HA ALA 79 HA ALA 79 -11.776 7.600 -6.309 592 HB1 ALA 79 1HB ALA 79 -9.676 5.762 -6.653 593 HB2 ALA 79 2HB ALA 79 -11.363 5.548 -7.117 594 HB3 ALA 79 3HB ALA 79 -10.805 4.994 -5.538 595 H THR 80 H THR 80 -9.815 6.438 -3.558 596 HA THR 80 HA THR 80 -12.270 6.701 -1.872 597 HB THR 80 HB THR 80 -10.182 4.533 -1.620 598 HG1 THR 80 1HG THR 80 -12.826 4.493 -2.639 599 HG21 THR 80 1HG2 THR 80 -11.090 4.826 0.516 600 HG22 THR 80 2HG2 THR 80 -12.139 3.588 -0.175 601 HG23 THR 80 3HG2 THR 80 -12.676 5.267 -0.117 602 H THR 81 H THR 81 -11.956 7.686 0.101 603 HA THR 81 HA THR 81 -9.142 8.324 0.869 604 HB THR 81 HB THR 81 -10.294 10.298 -0.103 605 HG1 THR 81 1HG THR 81 -9.631 10.187 2.626 606 HG21 THR 81 1HG2 THR 81 -12.529 9.279 1.126 607 HG22 THR 81 2HG2 THR 81 -12.392 10.920 0.493 608 HG23 THR 81 3HG2 THR 81 -12.097 10.607 2.204 609 HA PRO 82 HA PRO 82 -11.236 6.388 4.471 610 HB2 PRO 82 2HB PRO 82 -9.289 4.625 5.098 611 HB3 PRO 82 1HB PRO 82 -10.433 4.326 3.775 612 HG2 PRO 82 2HG PRO 82 -7.595 5.177 3.667 613 HG3 PRO 82 1HG PRO 82 -8.516 4.157 2.551 614 HD2 PRO 82 2HD PRO 82 -7.933 6.892 2.185 615 HD3 PRO 82 1HD PRO 82 -9.128 5.948 1.271 616 HA PRO 83 HA PRO 83 -9.303 8.703 7.711 617 HB2 PRO 83 2HB PRO 83 -9.428 6.859 9.801 618 HB3 PRO 83 1HB PRO 83 -10.747 7.935 9.307 619 HG2 PRO 83 2HG PRO 83 -10.320 5.064 8.702 620 HG3 PRO 83 1HG PRO 83 -11.827 5.954 8.972 621 HD2 PRO 83 2HD PRO 83 -11.008 5.206 6.488 622 HD3 PRO 83 1HD PRO 83 -11.949 6.687 6.774 623 H VAL 84 H VAL 84 -7.261 8.919 8.798 624 HA VAL 84 HA VAL 84 -5.280 6.839 8.010 625 HB VAL 84 HB VAL 84 -4.816 9.655 9.039 626 HG11 VAL 84 1HG1 VAL 84 -2.648 9.063 9.133 627 HG12 VAL 84 2HG1 VAL 84 -2.698 8.574 7.439 628 HG13 VAL 84 3HG1 VAL 84 -3.089 7.410 8.705 629 HG21 VAL 84 1HG2 VAL 84 -4.468 8.699 6.197 630 HG22 VAL 84 2HG2 VAL 84 -4.590 10.354 6.792 631 HG23 VAL 84 3HG2 VAL 84 -6.018 9.322 6.761 632 H GLU 85 H GLU 85 -4.477 5.504 9.543 633 HA GLU 85 HA GLU 85 -5.324 5.671 12.292 634 HB2 GLU 85 2HB GLU 85 -3.135 4.030 10.981 635 HB3 GLU 85 1HB GLU 85 -3.701 3.801 12.636 636 HG2 GLU 85 2HG GLU 85 -5.994 3.389 11.774 637 HG3 GLU 85 1HG GLU 85 -5.383 3.546 10.127 638 H ALA 86 H ALA 86 -2.441 6.705 10.554 639 HA ALA 86 HA ALA 86 -0.826 8.288 11.245 640 HB1 ALA 86 1HB ALA 86 -2.869 8.915 12.894 641 HB2 ALA 86 2HB ALA 86 -1.266 9.633 13.056 642 HB3 ALA 86 3HB ALA 86 -1.732 8.275 14.081 643 H LYS 87 H LYS 87 1.123 7.274 11.330 644 HA LYS 87 HA LYS 87 1.649 4.842 12.690 645 HB2 LYS 87 2HB LYS 87 3.579 7.042 11.887 646 HB3 LYS 87 1HB LYS 87 4.052 5.412 12.368 647 HG2 LYS 87 2HG LYS 87 2.633 4.511 10.505 648 HG3 LYS 87 1HG LYS 87 2.347 6.171 9.979 649 HD2 LYS 87 2HD LYS 87 4.838 6.472 9.799 650 HD3 LYS 87 1HD LYS 87 5.019 4.751 10.141 651 HE2 LYS 87 2HE LYS 87 4.776 4.383 7.930 652 HE3 LYS 87 1HE LYS 87 3.091 4.867 8.115 653 HZ1 LYS 87 1HZ LYS 87 5.303 6.789 7.666 654 HZ2 LYS 87 2HZ LYS 87 3.634 7.100 7.603 655 HZ3 LYS 87 3HZ LYS 87 4.366 6.135 6.412 656 H LEU 88 H LEU 88 1.950 8.200 13.761 657 HA LEU 88 HA LEU 88 3.058 7.300 16.360 658 HB2 LEU 88 2HB LEU 88 2.410 10.108 15.409 659 HB3 LEU 88 1HB LEU 88 3.351 9.674 16.836 660 HG LEU 88 HG LEU 88 4.092 9.098 13.953 661 HD11 LEU 88 1HD1 LEU 88 6.131 10.491 15.267 662 HD12 LEU 88 2HD1 LEU 88 4.645 11.272 15.809 663 HD13 LEU 88 3HD1 LEU 88 5.003 11.158 14.087 664 HD21 LEU 88 1HD2 LEU 88 6.300 8.438 15.252 665 HD22 LEU 88 2HD2 LEU 88 4.994 7.266 15.079 666 HD23 LEU 88 3HD2 LEU 88 5.183 8.158 16.589 667 H GLN 89 H GLN 89 1.885 7.412 18.279 668 HA GLN 89 HA GLN 89 -1.037 7.920 17.960 669 HB2 GLN 89 2HB GLN 89 0.502 6.388 20.080 670 HB3 GLN 89 1HB GLN 89 -1.247 6.616 20.079 671 HG2 GLN 89 2HG GLN 89 -1.417 5.468 17.915 672 HG3 GLN 89 1HG GLN 89 0.336 5.273 17.868 673 HE21 GLN 89 1HE2 GLN 89 -1.369 2.987 17.822 674 HE22 GLN 89 2HE2 GLN 89 -1.184 2.142 19.282 675 H1 PN7 101 3HO SAT 101 4.242 -6.563 -13.343 676 H2 PN7 101 1H1 SAT 101 4.884 -7.707 -10.340 677 H3 PN7 101 2H1 SAT 101 4.400 -6.741 -8.946 678 H5 PN7 101 1HE1 SAT 101 2.673 -4.635 -11.247 679 H6 PN7 101 2HE1 SAT 101 4.378 -5.084 -11.186 680 H7 PN7 101 3HE1 SAT 101 3.498 -4.761 -9.692 681 H8 PN7 101 2HE2 SAT 101 1.670 -6.426 -8.955 682 H9 PN7 101 3HE2 SAT 101 1.323 -7.803 -10.000 683 H10 PN7 101 1HE2 SAT 101 0.941 -6.168 -10.540 684 H11 PN7 101 3H SAT 101 2.743 -8.304 -11.935 685 H12 PN7 101 5H SAT 101 2.556 -4.689 -13.403 686 H13 PN7 101 1H6 SAT 101 3.185 -5.129 -15.620 687 H14 PN7 101 2H6 SAT 101 3.525 -6.781 -15.104 688 H15 PN7 101 1H7 SAT 101 1.274 -5.793 -16.612 689 H16 PN7 101 2H7 SAT 101 0.705 -6.505 -15.101 690 H17 PN7 101 9H SAT 101 0.407 -8.742 -15.215 691 H18 PN7 101 1H10 SAT 101 1.123 -9.758 -17.927 692 H19 PN7 101 2H10 SAT 101 1.175 -10.846 -16.539 693 H20 PN7 101 1H11 SAT 101 -1.064 -10.247 -18.154 694 H21 PN7 101 2H11 SAT 101 -1.357 -9.455 -16.607 695 H22 PN7 101 2HS1 SAT 101 -1.875 -12.257 -16.916 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -2.683 14.673 0.025 2 H2 MET 1 2HT MET 1 -1.839 13.731 -1.110 3 H3 MET 1 3HT MET 1 -1.175 15.192 -0.552 4 HA MET 1 HA MET 1 -1.057 12.574 0.601 5 HB2 MET 1 2HB MET 1 0.365 15.207 1.097 6 HB3 MET 1 1HB MET 1 0.836 13.666 1.814 7 HG2 MET 1 2HG MET 1 1.092 12.720 -0.481 8 HG3 MET 1 1HG MET 1 0.738 14.315 -1.144 9 HE1 MET 1 1HE MET 1 3.135 12.842 -2.008 10 HE2 MET 1 2HE MET 1 4.521 13.914 -1.810 11 HE3 MET 1 3HE MET 1 3.012 14.547 -2.465 12 H GLN 2 H GLN 2 -3.560 13.409 1.287 13 HA GLN 2 HA GLN 2 -3.817 14.937 3.670 14 HB2 GLN 2 2HB GLN 2 -5.479 12.566 2.760 15 HB3 GLN 2 1HB GLN 2 -5.964 13.756 3.969 16 HG2 GLN 2 2HG GLN 2 -5.328 14.352 1.064 17 HG3 GLN 2 1HG GLN 2 -6.943 14.295 1.771 18 HE21 GLN 2 1HE2 GLN 2 -4.884 16.545 0.717 19 HE22 GLN 2 2HE2 GLN 2 -5.117 17.772 1.866 20 H HIS 3 H HIS 3 -3.040 11.527 3.155 21 HA HIS 3 HA HIS 3 -2.026 11.380 5.924 22 HB2 HIS 3 2HB HIS 3 -4.153 9.505 4.846 23 HB3 HIS 3 1HB HIS 3 -3.274 9.268 6.356 24 HD1 HIS 3 1HD HIS 3 -3.481 11.432 8.076 25 HD2 HIS 3 2HD HIS 3 -6.443 11.024 5.166 26 HE1 HIS 3 1HE HIS 3 -5.440 12.849 8.840 27 HE2 HIS 3 2HE HIS 3 -7.247 12.608 7.076 28 H ALA 4 H ALA 4 -0.580 11.430 3.543 29 HA ALA 4 HA ALA 4 -0.026 8.887 2.396 30 HB1 ALA 4 1HB ALA 4 0.823 10.780 1.246 31 HB2 ALA 4 2HB ALA 4 2.253 9.971 1.887 32 HB3 ALA 4 3HB ALA 4 1.615 11.403 2.694 33 H SER 5 H SER 5 1.149 10.416 5.347 34 HA SER 5 HA SER 5 3.367 8.729 5.861 35 HB2 SER 5 2HB SER 5 1.459 9.883 7.911 36 HB3 SER 5 1HB SER 5 3.121 9.375 8.197 37 HG SER 5 HG SER 5 3.739 11.245 7.486 38 H VAL 6 H VAL 6 -0.088 8.227 6.493 39 HA VAL 6 HA VAL 6 0.220 5.830 8.033 40 HB VAL 6 HB VAL 6 -2.050 6.798 6.293 41 HG11 VAL 6 1HG1 VAL 6 -1.602 4.239 7.661 42 HG12 VAL 6 2HG1 VAL 6 -2.800 4.662 6.437 43 HG13 VAL 6 3HG1 VAL 6 -3.104 5.031 8.135 44 HG21 VAL 6 1HG2 VAL 6 -2.340 6.598 9.218 45 HG22 VAL 6 2HG2 VAL 6 -2.786 7.915 8.135 46 HG23 VAL 6 3HG2 VAL 6 -1.121 7.760 8.696 47 H ILE 7 H ILE 7 -0.085 6.419 4.559 48 HA ILE 7 HA ILE 7 -0.311 3.712 3.735 49 HB ILE 7 HB ILE 7 1.010 6.045 2.323 50 HG12 ILE 7 2HG1 ILE 7 -1.791 4.912 2.052 51 HG13 ILE 7 1HG1 ILE 7 -1.396 6.323 3.035 52 HG21 ILE 7 1HG2 ILE 7 0.151 3.293 1.416 53 HG22 ILE 7 2HG2 ILE 7 1.713 4.080 1.187 54 HG23 ILE 7 3HG2 ILE 7 0.304 4.636 0.282 55 HD11 ILE 7 1HD1 ILE 7 -1.265 6.016 0.045 56 HD12 ILE 7 2HD1 ILE 7 -0.288 7.232 0.863 57 HD13 ILE 7 3HD1 ILE 7 -2.044 7.281 0.995 58 H ALA 8 H ALA 8 2.557 5.697 4.419 59 HA ALA 8 HA ALA 8 4.492 3.764 3.569 60 HB1 ALA 8 1HB ALA 8 4.905 5.680 5.867 61 HB2 ALA 8 2HB ALA 8 4.867 6.240 4.195 62 HB3 ALA 8 3HB ALA 8 6.099 5.088 4.712 63 H GLN 9 H GLN 9 3.103 4.449 6.775 64 HA GLN 9 HA GLN 9 4.457 2.252 8.054 65 HB2 GLN 9 2HB GLN 9 3.502 3.010 9.976 66 HB3 GLN 9 1HB GLN 9 3.140 4.427 8.996 67 HG2 GLN 9 2HG GLN 9 1.076 3.881 9.996 68 HG3 GLN 9 1HG GLN 9 0.954 3.193 8.384 69 HE21 GLN 9 1HE2 GLN 9 -0.328 1.341 8.786 70 HE22 GLN 9 2HE2 GLN 9 0.101 0.117 9.881 71 H PHE 10 H PHE 10 1.403 2.595 6.376 72 HA PHE 10 HA PHE 10 0.128 0.224 7.246 73 HB2 PHE 10 2HB PHE 10 -0.846 2.062 5.798 74 HB3 PHE 10 1HB PHE 10 0.033 1.363 4.442 75 HD1 PHE 10 1HD PHE 10 -2.603 0.727 6.973 76 HD2 PHE 10 2HD PHE 10 -0.723 -0.641 3.361 77 HE1 PHE 10 1HE PHE 10 -4.443 -0.899 6.631 78 HE2 PHE 10 2HE PHE 10 -2.564 -2.268 3.020 79 HZ PHE 10 HZ PHE 10 -4.423 -2.394 4.655 80 H VAL 11 H VAL 11 2.243 0.689 4.388 81 HA VAL 11 HA VAL 11 2.287 -2.145 3.795 82 HB VAL 11 HB VAL 11 4.039 -1.532 2.169 83 HG11 VAL 11 1HG1 VAL 11 2.400 -0.801 0.809 84 HG12 VAL 11 2HG1 VAL 11 2.295 0.732 1.676 85 HG13 VAL 11 3HG1 VAL 11 1.373 -0.663 2.236 86 HG21 VAL 11 1HG2 VAL 11 4.576 0.951 1.996 87 HG22 VAL 11 2HG2 VAL 11 5.298 0.121 3.374 88 HG23 VAL 11 3HG2 VAL 11 3.868 1.128 3.600 89 H VAL 12 H VAL 12 4.627 0.080 5.324 90 HA VAL 12 HA VAL 12 6.687 -1.861 5.713 91 HB VAL 12 HB VAL 12 6.048 0.673 7.220 92 HG11 VAL 12 1HG1 VAL 12 7.414 -0.469 8.737 93 HG12 VAL 12 2HG1 VAL 12 8.602 0.394 7.761 94 HG13 VAL 12 3HG1 VAL 12 8.288 -1.315 7.459 95 HG21 VAL 12 1HG2 VAL 12 7.222 0.089 4.656 96 HG22 VAL 12 2HG2 VAL 12 8.443 0.809 5.705 97 HG23 VAL 12 3HG2 VAL 12 6.930 1.662 5.398 98 H GLU 13 H GLU 13 3.910 -0.990 7.721 99 HA GLU 13 HA GLU 13 4.694 -2.311 10.098 100 HB2 GLU 13 2HB GLU 13 2.704 -0.835 9.912 101 HB3 GLU 13 1HB GLU 13 1.895 -2.089 8.982 102 HG2 GLU 13 2HG GLU 13 2.186 -3.651 10.907 103 HG3 GLU 13 1HG GLU 13 2.864 -2.314 11.832 104 H GLU 14 H GLU 14 3.318 -3.584 7.130 105 HA GLU 14 HA GLU 14 2.644 -6.178 8.135 106 HB2 GLU 14 2HB GLU 14 1.845 -5.237 5.964 107 HB3 GLU 14 1HB GLU 14 3.474 -5.438 5.319 108 HG2 GLU 14 2HG GLU 14 3.344 -7.870 5.841 109 HG3 GLU 14 1HG GLU 14 1.678 -7.640 6.372 110 H PHE 15 H PHE 15 5.687 -4.819 6.960 111 HA PHE 15 HA PHE 15 6.932 -7.520 7.269 112 HB2 PHE 15 2HB PHE 15 8.104 -5.109 5.872 113 HB3 PHE 15 1HB PHE 15 8.652 -6.783 5.772 114 HD1 PHE 15 1HD PHE 15 7.331 -8.477 4.552 115 HD2 PHE 15 2HD PHE 15 6.140 -4.357 4.698 116 HE1 PHE 15 1HE PHE 15 5.731 -8.874 2.698 117 HE2 PHE 15 2HE PHE 15 4.539 -4.746 2.851 118 HZ PHE 15 HZ PHE 15 4.334 -7.010 1.847 119 H LEU 16 H LEU 16 7.821 -4.072 7.844 120 HA LEU 16 HA LEU 16 9.376 -5.053 10.213 121 HB2 LEU 16 2HB LEU 16 10.198 -3.513 7.904 122 HB3 LEU 16 1HB LEU 16 10.505 -2.625 9.393 123 HG LEU 16 HG LEU 16 11.323 -5.508 8.947 124 HD11 LEU 16 1HD1 LEU 16 12.952 -2.954 8.769 125 HD12 LEU 16 2HD1 LEU 16 12.561 -4.030 7.428 126 HD13 LEU 16 3HD1 LEU 16 13.619 -4.586 8.725 127 HD21 LEU 16 1HD2 LEU 16 11.088 -3.899 11.271 128 HD22 LEU 16 2HD2 LEU 16 12.813 -4.028 10.926 129 HD23 LEU 16 3HD2 LEU 16 11.845 -5.488 11.140 130 HA PRO 17 HA PRO 17 6.640 -1.799 11.903 131 HB2 PRO 17 2HB PRO 17 5.466 -3.326 13.827 132 HB3 PRO 17 1HB PRO 17 4.891 -3.281 12.153 133 HG2 PRO 17 2HG PRO 17 6.253 -5.418 13.581 134 HG3 PRO 17 1HG PRO 17 5.331 -5.474 12.073 135 HD2 PRO 17 2HD PRO 17 8.220 -5.393 12.410 136 HD3 PRO 17 1HD PRO 17 7.284 -5.596 10.912 137 H ASP 18 H ASP 18 9.079 -3.857 13.219 138 HA ASP 18 HA ASP 18 9.118 -2.720 15.893 139 HB2 ASP 18 2HB ASP 18 11.132 -4.347 14.337 140 HB3 ASP 18 1HB ASP 18 11.343 -3.879 16.020 141 H VAL 19 H VAL 19 9.901 -1.482 12.920 142 HA VAL 19 HA VAL 19 11.980 0.342 14.070 143 HB VAL 19 HB VAL 19 12.647 -1.055 12.054 144 HG11 VAL 19 1HG1 VAL 19 10.849 0.785 10.486 145 HG12 VAL 19 2HG1 VAL 19 10.257 -0.769 11.077 146 HG13 VAL 19 3HG1 VAL 19 11.623 -0.712 9.963 147 HG21 VAL 19 1HG2 VAL 19 13.808 1.036 12.549 148 HG22 VAL 19 2HG2 VAL 19 12.535 1.963 11.756 149 HG23 VAL 19 3HG2 VAL 19 13.577 0.904 10.806 150 H ALA 20 H ALA 20 11.583 2.623 13.784 151 HA ALA 20 HA ALA 20 8.848 3.391 13.772 152 HB1 ALA 20 1HB ALA 20 10.163 5.677 12.989 153 HB2 ALA 20 2HB ALA 20 11.454 4.754 13.759 154 HB3 ALA 20 3HB ALA 20 9.989 5.142 14.660 155 HA PRO 21 HA PRO 21 8.444 2.890 9.289 156 HB2 PRO 21 2HB PRO 21 5.765 3.775 9.259 157 HB3 PRO 21 1HB PRO 21 6.336 2.101 9.303 158 HG2 PRO 21 2HG PRO 21 5.126 3.672 11.402 159 HG3 PRO 21 1HG PRO 21 5.449 1.934 11.340 160 HD2 PRO 21 2HD PRO 21 6.840 3.894 12.859 161 HD3 PRO 21 1HD PRO 21 7.255 2.180 12.678 162 H ALA 22 H ALA 22 7.448 5.760 11.080 163 HA ALA 22 HA ALA 22 7.334 7.492 8.753 164 HB1 ALA 22 1HB ALA 22 6.486 7.753 11.327 165 HB2 ALA 22 2HB ALA 22 6.713 9.120 10.237 166 HB3 ALA 22 3HB ALA 22 7.978 8.691 11.388 167 H ASP 23 H ASP 23 9.848 6.095 10.571 168 HA ASP 23 HA ASP 23 11.811 8.197 9.879 169 HB2 ASP 23 2HB ASP 23 12.065 5.592 11.415 170 HB3 ASP 23 1HB ASP 23 13.405 6.702 11.121 171 H VAL 24 H VAL 24 10.355 5.884 8.186 172 HA VAL 24 HA VAL 24 12.792 4.782 6.902 173 HB VAL 24 HB VAL 24 9.866 4.211 6.330 174 HG11 VAL 24 1HG1 VAL 24 12.461 2.915 5.460 175 HG12 VAL 24 2HG1 VAL 24 11.228 3.641 4.430 176 HG13 VAL 24 3HG1 VAL 24 10.888 2.136 5.286 177 HG21 VAL 24 1HG2 VAL 24 10.620 3.588 8.646 178 HG22 VAL 24 2HG2 VAL 24 11.871 2.579 7.919 179 HG23 VAL 24 3HG2 VAL 24 10.169 2.197 7.661 180 H ASP 25 H ASP 25 13.440 5.451 4.871 181 HA ASP 25 HA ASP 25 12.549 7.971 3.887 182 HB2 ASP 25 2HB ASP 25 14.072 5.743 2.507 183 HB3 ASP 25 1HB ASP 25 13.852 7.355 1.827 184 H VAL 26 H VAL 26 10.257 7.874 3.639 185 HA VAL 26 HA VAL 26 8.843 5.885 2.186 186 HB VAL 26 HB VAL 26 8.049 7.978 3.624 187 HG11 VAL 26 1HG1 VAL 26 7.373 9.858 2.352 188 HG12 VAL 26 2HG1 VAL 26 7.582 9.004 0.824 189 HG13 VAL 26 3HG1 VAL 26 8.994 9.497 1.758 190 HG21 VAL 26 1HG2 VAL 26 6.642 6.116 2.746 191 HG22 VAL 26 2HG2 VAL 26 6.499 6.981 1.217 192 HG23 VAL 26 3HG2 VAL 26 5.815 7.672 2.688 193 H ASP 27 H ASP 27 11.319 7.613 0.989 194 HA ASP 27 HA ASP 27 10.088 8.142 -1.662 195 HB2 ASP 27 2HB ASP 27 12.830 8.790 -0.532 196 HB3 ASP 27 1HB ASP 27 12.321 9.168 -2.179 197 H LEU 28 H LEU 28 11.061 5.492 -0.211 198 HA LEU 28 HA LEU 28 12.961 4.487 -2.232 199 HB2 LEU 28 2HB LEU 28 13.181 3.882 0.186 200 HB3 LEU 28 1HB LEU 28 11.650 3.019 0.068 201 HG LEU 28 HG LEU 28 12.645 1.651 -1.796 202 HD11 LEU 28 1HD1 LEU 28 15.369 1.862 -1.309 203 HD12 LEU 28 2HD1 LEU 28 14.835 3.542 -1.327 204 HD13 LEU 28 3HD1 LEU 28 14.527 2.505 -2.718 205 HD21 LEU 28 1HD2 LEU 28 14.525 0.766 0.050 206 HD22 LEU 28 2HD2 LEU 28 12.831 0.276 -0.008 207 HD23 LEU 28 3HD2 LEU 28 13.333 1.597 1.049 208 H ASP 29 H ASP 29 12.391 3.223 -3.932 209 HA ASP 29 HA ASP 29 9.638 2.988 -4.687 210 HB2 ASP 29 2HB ASP 29 12.126 1.576 -5.693 211 HB3 ASP 29 1HB ASP 29 10.543 1.428 -6.457 212 H LEU 30 H LEU 30 8.171 1.554 -3.902 213 HA LEU 30 HA LEU 30 8.865 -0.481 -2.029 214 HB2 LEU 30 2HB LEU 30 6.364 -0.327 -3.749 215 HB3 LEU 30 1HB LEU 30 6.546 -1.259 -2.263 216 HG LEU 30 HG LEU 30 6.692 1.758 -2.515 217 HD11 LEU 30 1HD1 LEU 30 4.763 1.028 -0.649 218 HD12 LEU 30 2HD1 LEU 30 4.565 -0.166 -1.933 219 HD13 LEU 30 3HD1 LEU 30 4.448 1.556 -2.302 220 HD21 LEU 30 1HD2 LEU 30 7.374 -0.166 -0.319 221 HD22 LEU 30 2HD2 LEU 30 6.627 1.371 0.114 222 HD23 LEU 30 3HD2 LEU 30 8.159 1.350 -0.759 223 H VAL 31 H VAL 31 9.354 -0.379 -5.348 224 HA VAL 31 HA VAL 31 8.719 -2.929 -6.296 225 HB VAL 31 HB VAL 31 9.870 -1.006 -7.552 226 HG11 VAL 31 1HG1 VAL 31 12.262 -0.917 -7.530 227 HG12 VAL 31 2HG1 VAL 31 12.376 -2.399 -6.582 228 HG13 VAL 31 3HG1 VAL 31 11.762 -0.922 -5.839 229 HG21 VAL 31 1HG2 VAL 31 9.436 -3.238 -8.542 230 HG22 VAL 31 2HG2 VAL 31 10.967 -3.818 -7.886 231 HG23 VAL 31 3HG2 VAL 31 10.957 -2.561 -9.123 232 H ASP 32 H ASP 32 11.499 -1.944 -4.319 233 HA ASP 32 HA ASP 32 12.832 -4.469 -4.275 234 HB2 ASP 32 2HB ASP 32 12.647 -2.304 -2.149 235 HB3 ASP 32 1HB ASP 32 13.753 -3.676 -2.070 236 H ASN 33 H ASN 33 10.142 -3.132 -2.470 237 HA ASN 33 HA ASN 33 9.828 -5.531 -0.809 238 HB2 ASN 33 2HB ASN 33 8.084 -3.082 -1.117 239 HB3 ASN 33 1HB ASN 33 7.845 -4.354 0.080 240 HD21 ASN 33 1HD2 ASN 33 8.494 -1.490 0.570 241 HD22 ASN 33 2HD2 ASN 33 9.949 -1.486 1.443 242 H GLY 34 H GLY 34 9.523 -5.301 -3.887 243 HA2 GLY 34 2HA GLY 34 6.968 -5.596 -4.841 244 HA3 GLY 34 1HA GLY 34 8.288 -6.616 -5.414 245 H VAL 35 H VAL 35 8.409 -7.524 -2.403 246 HA VAL 35 HA VAL 35 7.080 -10.007 -2.733 247 HB VAL 35 HB VAL 35 7.743 -8.447 -0.216 248 HG11 VAL 35 1HG1 VAL 35 7.477 -10.704 0.903 249 HG12 VAL 35 2HG1 VAL 35 6.700 -11.269 -0.576 250 HG13 VAL 35 3HG1 VAL 35 5.967 -9.969 0.364 251 HG21 VAL 35 1HG2 VAL 35 9.745 -9.624 -0.191 252 HG22 VAL 35 2HG2 VAL 35 9.494 -9.475 -1.931 253 HG23 VAL 35 3HG2 VAL 35 9.080 -10.977 -1.106 254 H ILE 36 H ILE 36 5.964 -6.920 -1.425 255 HA ILE 36 HA ILE 36 3.353 -7.853 -0.607 256 HB ILE 36 HB ILE 36 4.642 -5.668 0.038 257 HG12 ILE 36 2HG1 ILE 36 1.680 -5.699 -0.622 258 HG13 ILE 36 1HG1 ILE 36 2.423 -6.202 0.894 259 HG21 ILE 36 1HG2 ILE 36 3.031 -4.572 -2.260 260 HG22 ILE 36 2HG2 ILE 36 4.709 -5.066 -2.487 261 HG23 ILE 36 3HG2 ILE 36 4.315 -3.785 -1.342 262 HD11 ILE 36 1HD1 ILE 36 1.695 -4.007 1.349 263 HD12 ILE 36 2HD1 ILE 36 2.185 -3.423 -0.241 264 HD13 ILE 36 3HD1 ILE 36 3.406 -3.806 0.973 265 H ASP 37 H ASP 37 4.730 -6.793 -3.627 266 HA ASP 37 HA ASP 37 2.352 -5.984 -4.958 267 HB2 ASP 37 2HB ASP 37 4.884 -7.207 -6.079 268 HB3 ASP 37 1HB ASP 37 3.608 -6.495 -7.062 269 H SER 38 H SER 38 3.644 -9.228 -4.385 270 HA SER 38 HA SER 38 1.462 -10.321 -6.092 271 HB2 SER 38 2HB SER 38 4.167 -11.225 -5.376 272 HB3 SER 38 1HB SER 38 2.943 -12.489 -5.327 273 H LEU 39 H LEU 39 3.023 -11.353 -3.036 274 HA LEU 39 HA LEU 39 0.638 -12.761 -2.219 275 HB2 LEU 39 2HB LEU 39 2.982 -11.956 -0.510 276 HB3 LEU 39 1HB LEU 39 1.834 -13.249 -0.187 277 HG LEU 39 HG LEU 39 3.893 -13.118 -2.387 278 HD11 LEU 39 1HD1 LEU 39 3.920 -14.156 0.197 279 HD12 LEU 39 2HD1 LEU 39 5.053 -14.550 -1.095 280 HD13 LEU 39 3HD1 LEU 39 3.629 -15.557 -0.831 281 HD21 LEU 39 1HD2 LEU 39 1.460 -14.877 -2.075 282 HD22 LEU 39 2HD2 LEU 39 2.888 -15.444 -2.942 283 HD23 LEU 39 3HD2 LEU 39 2.018 -14.020 -3.513 284 H GLY 40 H GLY 40 2.214 -9.834 -0.927 285 HA2 GLY 40 2HA GLY 40 0.126 -9.265 0.949 286 HA3 GLY 40 1HA GLY 40 1.306 -8.095 0.364 287 H LEU 41 H LEU 41 0.635 -8.351 -2.420 288 HA LEU 41 HA LEU 41 -1.433 -6.403 -2.615 289 HB2 LEU 41 2HB LEU 41 0.352 -6.899 -4.334 290 HB3 LEU 41 1HB LEU 41 -0.569 -8.329 -4.789 291 HG LEU 41 HG LEU 41 -2.099 -5.782 -4.681 292 HD11 LEU 41 1HD1 LEU 41 -1.266 -4.983 -6.808 293 HD12 LEU 41 2HD1 LEU 41 -0.188 -6.369 -6.960 294 HD13 LEU 41 3HD1 LEU 41 0.110 -5.151 -5.721 295 HD21 LEU 41 1HD2 LEU 41 -2.737 -8.238 -5.489 296 HD22 LEU 41 2HD2 LEU 41 -1.994 -7.691 -6.989 297 HD23 LEU 41 3HD2 LEU 41 -3.374 -6.822 -6.322 298 H LEU 42 H LEU 42 -1.475 -9.924 -2.986 299 HA LEU 42 HA LEU 42 -4.188 -10.147 -3.852 300 HB2 LEU 42 2HB LEU 42 -2.519 -12.022 -3.874 301 HB3 LEU 42 1HB LEU 42 -2.643 -12.097 -2.123 302 HG LEU 42 HG LEU 42 -5.128 -12.444 -2.386 303 HD11 LEU 42 1HD1 LEU 42 -5.968 -12.039 -4.436 304 HD12 LEU 42 2HD1 LEU 42 -5.207 -13.541 -4.957 305 HD13 LEU 42 3HD1 LEU 42 -4.360 -12.009 -5.155 306 HD21 LEU 42 1HD2 LEU 42 -3.171 -14.435 -3.565 307 HD22 LEU 42 2HD2 LEU 42 -4.847 -14.836 -3.189 308 HD23 LEU 42 3HD2 LEU 42 -3.744 -14.355 -1.899 309 H LYS 43 H LYS 43 -2.737 -10.135 -0.600 310 HA LYS 43 HA LYS 43 -5.255 -10.419 0.781 311 HB2 LYS 43 2HB LYS 43 -2.578 -9.356 1.695 312 HB3 LYS 43 1HB LYS 43 -3.934 -9.690 2.765 313 HG2 LYS 43 2HG LYS 43 -3.936 -12.054 1.966 314 HG3 LYS 43 1HG LYS 43 -2.499 -11.698 1.007 315 HD2 LYS 43 2HD LYS 43 -1.321 -11.010 3.098 316 HD3 LYS 43 1HD LYS 43 -2.740 -11.503 4.022 317 HE2 LYS 43 2HE LYS 43 -1.487 -13.450 4.135 318 HE3 LYS 43 1HE LYS 43 -2.421 -13.764 2.672 319 HZ1 LYS 43 1HZ LYS 43 0.358 -13.559 2.947 320 HZ2 LYS 43 2HZ LYS 43 -0.165 -12.278 1.962 321 HZ3 LYS 43 3HZ LYS 43 -0.538 -13.882 1.544 322 H VAL 44 H VAL 44 -3.259 -7.639 -0.162 323 HA VAL 44 HA VAL 44 -4.807 -5.656 1.206 324 HB VAL 44 HB VAL 44 -3.034 -5.476 -1.240 325 HG11 VAL 44 1HG1 VAL 44 -3.011 -2.999 -0.579 326 HG12 VAL 44 2HG1 VAL 44 -4.443 -3.353 0.387 327 HG13 VAL 44 3HG1 VAL 44 -4.480 -3.584 -1.361 328 HG21 VAL 44 1HG2 VAL 44 -2.418 -5.955 1.413 329 HG22 VAL 44 2HG2 VAL 44 -2.240 -4.205 1.287 330 HG23 VAL 44 3HG2 VAL 44 -1.313 -5.263 0.224 331 H ILE 45 H ILE 45 -4.956 -6.831 -2.164 332 HA ILE 45 HA ILE 45 -7.049 -5.074 -2.987 333 HB ILE 45 HB ILE 45 -5.837 -7.598 -3.985 334 HG12 ILE 45 2HG1 ILE 45 -5.570 -6.281 -5.989 335 HG13 ILE 45 1HG1 ILE 45 -6.715 -5.072 -5.409 336 HG21 ILE 45 1HG2 ILE 45 -8.100 -8.286 -4.232 337 HG22 ILE 45 2HG2 ILE 45 -7.642 -7.632 -5.804 338 HG23 ILE 45 3HG2 ILE 45 -8.622 -6.668 -4.700 339 HD11 ILE 45 1HD1 ILE 45 -4.355 -5.663 -3.683 340 HD12 ILE 45 2HD1 ILE 45 -5.202 -4.138 -3.944 341 HD13 ILE 45 3HD1 ILE 45 -4.073 -4.737 -5.158 342 H ALA 46 H ALA 46 -7.145 -8.374 -1.645 343 HA ALA 46 HA ALA 46 -9.983 -8.686 -1.799 344 HB1 ALA 46 1HB ALA 46 -8.884 -10.688 -1.358 345 HB2 ALA 46 2HB ALA 46 -9.459 -10.267 0.256 346 HB3 ALA 46 3HB ALA 46 -7.785 -9.944 -0.196 347 H TRP 47 H TRP 47 -7.883 -7.432 0.790 348 HA TRP 47 HA TRP 47 -10.115 -6.918 2.586 349 HB2 TRP 47 2HB TRP 47 -8.174 -7.169 3.802 350 HB3 TRP 47 1HB TRP 47 -7.175 -6.400 2.570 351 HD1 TRP 47 HD TRP 47 -9.560 -5.567 5.447 352 HE1 TRP 47 1HE TRP 47 -9.167 -3.118 6.148 353 HE3 TRP 47 3HE TRP 47 -6.329 -4.104 1.781 354 HZ2 TRP 47 2HZ TRP 47 -7.673 -0.839 5.272 355 HZ3 TRP 47 3HZ TRP 47 -5.433 -1.797 1.737 356 HH2 TRP 47 HH TRP 47 -6.100 -0.165 3.473 357 H LEU 48 H LEU 48 -8.092 -4.917 0.440 358 HA LEU 48 HA LEU 48 -9.176 -2.398 1.118 359 HB2 LEU 48 2HB LEU 48 -7.172 -2.807 -0.340 360 HB3 LEU 48 1HB LEU 48 -8.261 -3.296 -1.626 361 HG LEU 48 HG LEU 48 -9.404 -0.988 -1.181 362 HD11 LEU 48 1HD1 LEU 48 -7.528 -0.875 0.794 363 HD12 LEU 48 2HD1 LEU 48 -8.273 0.545 0.064 364 HD13 LEU 48 3HD1 LEU 48 -6.701 -0.019 -0.503 365 HD21 LEU 48 1HD2 LEU 48 -8.343 -1.457 -3.282 366 HD22 LEU 48 2HD2 LEU 48 -6.739 -1.412 -2.551 367 HD23 LEU 48 3HD2 LEU 48 -7.672 0.074 -2.723 368 H GLU 49 H GLU 49 -10.227 -4.679 -1.434 369 HA GLU 49 HA GLU 49 -12.456 -3.044 -2.256 370 HB2 GLU 49 2HB GLU 49 -11.952 -4.598 -3.893 371 HB3 GLU 49 1HB GLU 49 -11.571 -5.860 -2.734 372 HG2 GLU 49 2HG GLU 49 -13.890 -6.265 -2.287 373 HG3 GLU 49 1HG GLU 49 -14.376 -4.839 -3.196 374 H ASP 50 H ASP 50 -12.061 -5.689 0.047 375 HA ASP 50 HA ASP 50 -14.817 -5.984 0.740 376 HB2 ASP 50 2HB ASP 50 -12.254 -6.533 2.207 377 HB3 ASP 50 1HB ASP 50 -13.816 -6.963 2.867 378 H ARG 51 H ARG 51 -12.232 -3.945 2.057 379 HA ARG 51 HA ARG 51 -13.660 -2.940 4.297 380 HB2 ARG 51 2HB ARG 51 -11.209 -2.681 3.927 381 HB3 ARG 51 1HB ARG 51 -11.556 -1.490 2.672 382 HG2 ARG 51 2HG ARG 51 -12.759 -0.104 4.332 383 HG3 ARG 51 1HG ARG 51 -12.375 -1.284 5.585 384 HD2 ARG 51 2HD ARG 51 -9.952 -0.922 5.139 385 HD3 ARG 51 1HD ARG 51 -10.379 0.326 3.969 386 HE ARG 51 HE ARG 51 -11.581 0.825 6.561 387 HH11 ARG 51 1HH1 ARG 51 -10.742 2.566 7.731 388 HH12 ARG 51 2HH1 ARG 51 -9.207 3.233 7.284 389 HH21 ARG 51 1HH2 ARG 51 -8.715 1.027 4.653 390 HH22 ARG 51 2HH2 ARG 51 -8.060 2.361 5.542 391 H PHE 52 H PHE 52 -13.429 -1.596 0.973 392 HA PHE 52 HA PHE 52 -15.640 0.267 1.737 393 HB2 PHE 52 2HB PHE 52 -13.336 0.521 -0.176 394 HB3 PHE 52 1HB PHE 52 -14.783 1.504 -0.380 395 HD1 PHE 52 1HD PHE 52 -11.794 0.926 1.629 396 HD2 PHE 52 2HD PHE 52 -15.531 3.036 1.438 397 HE1 PHE 52 1HE PHE 52 -11.027 2.453 3.430 398 HE2 PHE 52 2HE PHE 52 -14.763 4.561 3.235 399 HZ PHE 52 HZ PHE 52 -12.514 4.270 4.232 400 H GLY 53 H GLY 53 -15.132 -2.564 0.071 401 HA2 GLY 53 2HA GLY 53 -16.551 -3.729 -1.404 402 HA3 GLY 53 1HA GLY 53 -17.723 -2.428 -1.194 403 H ILE 54 H ILE 54 -14.398 -2.080 -2.379 404 HA ILE 54 HA ILE 54 -15.501 -0.822 -4.833 405 HB ILE 54 HB ILE 54 -12.645 -0.948 -3.815 406 HG12 ILE 54 2HG1 ILE 54 -14.610 1.357 -3.687 407 HG13 ILE 54 1HG1 ILE 54 -14.308 0.265 -2.334 408 HG21 ILE 54 1HG2 ILE 54 -12.805 -0.559 -6.232 409 HG22 ILE 54 2HG2 ILE 54 -12.316 0.925 -5.415 410 HG23 ILE 54 3HG2 ILE 54 -13.980 0.728 -5.964 411 HD11 ILE 54 1HD1 ILE 54 -11.923 0.862 -2.369 412 HD12 ILE 54 2HD1 ILE 54 -12.919 2.302 -2.164 413 HD13 ILE 54 3HD1 ILE 54 -12.205 1.941 -3.735 414 H ALA 55 H ALA 55 -15.057 -1.656 -6.899 415 HA ALA 55 HA ALA 55 -14.634 -4.468 -7.126 416 HB1 ALA 55 1HB ALA 55 -14.368 -3.995 -9.572 417 HB2 ALA 55 2HB ALA 55 -14.361 -2.271 -9.200 418 HB3 ALA 55 3HB ALA 55 -15.800 -3.236 -8.875 419 H ALA 56 H ALA 56 -12.784 -5.663 -7.496 420 HA ALA 56 HA ALA 56 -10.255 -4.591 -6.713 421 HB1 ALA 56 1HB ALA 56 -10.872 -7.013 -6.607 422 HB2 ALA 56 2HB ALA 56 -9.332 -6.736 -7.419 423 HB3 ALA 56 3HB ALA 56 -10.779 -7.080 -8.366 424 H ASP 57 H ASP 57 -11.805 -4.977 -9.852 425 HA ASP 57 HA ASP 57 -9.561 -4.605 -11.536 426 HB2 ASP 57 2HB ASP 57 -12.439 -3.755 -11.890 427 HB3 ASP 57 1HB ASP 57 -11.234 -3.677 -13.174 428 H ASP 58 H ASP 58 -11.572 -2.220 -9.842 429 HA ASP 58 HA ASP 58 -10.601 0.128 -11.065 430 HB2 ASP 58 2HB ASP 58 -12.444 -0.028 -9.337 431 HB3 ASP 58 1HB ASP 58 -11.180 -0.163 -8.117 432 H VAL 59 H VAL 59 -9.182 -1.848 -8.501 433 HA VAL 59 HA VAL 59 -7.032 -0.084 -7.844 434 HB VAL 59 HB VAL 59 -7.241 -3.092 -7.679 435 HG11 VAL 59 1HG1 VAL 59 -5.030 -1.221 -7.108 436 HG12 VAL 59 2HG1 VAL 59 -4.985 -2.961 -7.397 437 HG13 VAL 59 3HG1 VAL 59 -5.404 -2.343 -5.799 438 HG21 VAL 59 1HG2 VAL 59 -7.510 -2.500 -5.213 439 HG22 VAL 59 2HG2 VAL 59 -8.859 -2.040 -6.253 440 HG23 VAL 59 3HG2 VAL 59 -7.694 -0.824 -5.729 441 H GLU 60 H GLU 60 -7.387 -2.581 -10.319 442 HA GLU 60 HA GLU 60 -6.067 -3.095 -12.182 443 HB2 GLU 60 2HB GLU 60 -6.432 -0.675 -12.656 444 HB3 GLU 60 1HB GLU 60 -4.965 -0.304 -11.759 445 HG2 GLU 60 2HG GLU 60 -3.681 -1.748 -13.295 446 HG3 GLU 60 1HG GLU 60 -5.149 -2.047 -14.216 447 H LEU 61 H LEU 61 -4.303 -4.394 -12.237 448 HA LEU 61 HA LEU 61 -2.209 -3.962 -10.170 449 HB2 LEU 61 2HB LEU 61 -2.645 -6.420 -11.880 450 HB3 LEU 61 1HB LEU 61 -1.693 -6.295 -10.403 451 HG LEU 61 HG LEU 61 -4.690 -6.081 -10.672 452 HD11 LEU 61 1HD1 LEU 61 -2.810 -7.983 -9.261 453 HD12 LEU 61 2HD1 LEU 61 -3.948 -8.360 -10.555 454 HD13 LEU 61 3HD1 LEU 61 -4.545 -7.937 -8.951 455 HD21 LEU 61 1HD2 LEU 61 -4.206 -4.417 -9.081 456 HD22 LEU 61 2HD2 LEU 61 -2.829 -5.310 -8.434 457 HD23 LEU 61 3HD2 LEU 61 -4.471 -5.850 -8.087 458 H SER 62 H SER 62 -0.131 -3.472 -10.772 459 HA SER 62 HA SER 62 1.002 -4.184 -13.306 460 HB2 SER 62 2HB SER 62 -0.648 -1.950 -13.448 461 HB3 SER 62 1HB SER 62 0.963 -1.261 -13.277 462 HG SER 62 HG SER 62 0.800 -1.629 -15.405 463 HA PRO 63 HA PRO 63 4.482 -3.462 -10.611 464 HB2 PRO 63 2HB PRO 63 6.467 -3.236 -12.535 465 HB3 PRO 63 1HB PRO 63 5.841 -4.770 -11.907 466 HG2 PRO 63 2HG PRO 63 5.220 -3.367 -14.444 467 HG3 PRO 63 1HG PRO 63 5.336 -5.102 -14.106 468 HD2 PRO 63 2HD PRO 63 2.951 -3.807 -14.382 469 HD3 PRO 63 1HD PRO 63 3.154 -5.237 -13.346 470 H GLU 64 H GLU 64 3.771 -1.328 -13.287 471 HA GLU 64 HA GLU 64 5.611 0.773 -12.621 472 HB2 GLU 64 2HB GLU 64 2.972 0.850 -14.085 473 HB3 GLU 64 1HB GLU 64 4.104 2.192 -14.012 474 HG2 GLU 64 2HG GLU 64 5.839 0.751 -15.033 475 HG3 GLU 64 1HG GLU 64 4.655 -0.543 -15.169 476 H HIS 65 H HIS 65 2.421 -0.098 -11.494 477 HA HIS 65 HA HIS 65 1.798 2.383 -10.181 478 HB2 HIS 65 2HB HIS 65 0.126 0.631 -10.760 479 HB3 HIS 65 1HB HIS 65 0.826 -0.411 -9.524 480 HD1 HIS 65 1HD HIS 65 -0.572 3.144 -9.720 481 HD2 HIS 65 2HD HIS 65 -0.417 -0.088 -7.087 482 HE1 HIS 65 1HE HIS 65 -1.933 3.806 -7.688 483 HE2 HIS 65 2HE HIS 65 -1.841 1.849 -6.079 484 H PHE 66 H PHE 66 3.748 -0.374 -9.232 485 HA PHE 66 HA PHE 66 3.845 0.641 -6.439 486 HB2 PHE 66 2HB PHE 66 4.798 -1.946 -7.684 487 HB3 PHE 66 1HB PHE 66 5.011 -1.528 -5.982 488 HD1 PHE 66 1HD PHE 66 2.593 -2.441 -8.593 489 HD2 PHE 66 2HD PHE 66 3.084 -1.328 -4.474 490 HE1 PHE 66 1HE PHE 66 0.269 -3.169 -8.119 491 HE2 PHE 66 2HE PHE 66 0.763 -2.058 -3.999 492 HZ PHE 66 HZ PHE 66 -0.645 -2.978 -5.822 493 H ARG 67 H ARG 67 5.508 1.383 -9.150 494 HA ARG 67 HA ARG 67 8.240 0.993 -8.438 495 HB2 ARG 67 2HB ARG 67 6.930 3.189 -10.062 496 HB3 ARG 67 1HB ARG 67 8.673 2.983 -9.924 497 HG2 ARG 67 2HG ARG 67 6.927 0.698 -10.785 498 HG3 ARG 67 1HG ARG 67 7.472 1.899 -11.953 499 HD2 ARG 67 2HD ARG 67 9.839 1.447 -11.144 500 HD3 ARG 67 1HD ARG 67 9.189 0.079 -10.244 501 HE ARG 67 HE ARG 67 8.374 -0.037 -13.009 502 HH11 ARG 67 1HH1 ARG 67 9.368 -1.613 -14.290 503 HH12 ARG 67 2HH1 ARG 67 10.843 -2.343 -13.753 504 HH21 ARG 67 1HH2 ARG 67 10.986 -0.511 -10.810 505 HH22 ARG 67 2HH2 ARG 67 11.760 -1.720 -11.782 506 H SER 68 H SER 68 5.923 3.475 -7.443 507 HA SER 68 HA SER 68 7.881 4.290 -5.363 508 HB2 SER 68 2HB SER 68 7.611 6.649 -5.833 509 HB3 SER 68 1HB SER 68 8.105 5.850 -7.323 510 HG SER 68 HG SER 68 6.278 6.423 -8.175 511 H ILE 69 H ILE 69 6.901 5.088 -3.465 512 HA ILE 69 HA ILE 69 4.233 4.198 -2.923 513 HB ILE 69 HB ILE 69 5.970 6.150 -1.383 514 HG12 ILE 69 2HG1 ILE 69 5.627 3.168 -1.039 515 HG13 ILE 69 1HG1 ILE 69 7.005 3.917 -1.829 516 HG21 ILE 69 1HG2 ILE 69 4.266 6.264 0.063 517 HG22 ILE 69 2HG2 ILE 69 4.283 4.508 0.220 518 HG23 ILE 69 3HG2 ILE 69 3.291 5.272 -1.020 519 HD11 ILE 69 1HD1 ILE 69 7.505 5.174 0.239 520 HD12 ILE 69 2HD1 ILE 69 7.525 3.435 0.526 521 HD13 ILE 69 3HD1 ILE 69 6.136 4.397 1.032 522 H ARG 70 H ARG 70 5.617 7.357 -3.732 523 HA ARG 70 HA ARG 70 3.336 8.950 -3.149 524 HB2 ARG 70 2HB ARG 70 5.479 9.322 -5.261 525 HB3 ARG 70 1HB ARG 70 4.327 10.565 -4.774 526 HG2 ARG 70 2HG ARG 70 5.159 10.358 -2.427 527 HG3 ARG 70 1HG ARG 70 6.380 9.218 -2.995 528 HD2 ARG 70 2HD ARG 70 6.074 12.098 -3.894 529 HD3 ARG 70 1HD ARG 70 7.349 11.463 -2.854 530 HE ARG 70 HE ARG 70 7.416 9.942 -5.229 531 HH11 ARG 70 1HH1 ARG 70 8.881 10.472 -6.867 532 HH12 ARG 70 2HH1 ARG 70 9.528 12.077 -6.946 533 HH21 ARG 70 1HH2 ARG 70 7.783 13.203 -4.168 534 HH22 ARG 70 2HH2 ARG 70 8.906 13.623 -5.418 535 H SER 71 H SER 71 4.205 7.164 -6.113 536 HA SER 71 HA SER 71 2.107 8.177 -7.744 537 HB2 SER 71 2HB SER 71 3.285 5.385 -7.797 538 HB3 SER 71 1HB SER 71 2.466 6.205 -9.120 539 HG SER 71 HG SER 71 4.665 6.453 -9.397 540 H ILE 72 H ILE 72 2.204 5.371 -5.549 541 HA ILE 72 HA ILE 72 -0.486 4.523 -6.079 542 HB ILE 72 HB ILE 72 1.244 4.089 -3.628 543 HG12 ILE 72 2HG1 ILE 72 0.842 2.339 -6.074 544 HG13 ILE 72 1HG1 ILE 72 2.257 3.356 -5.804 545 HG21 ILE 72 1HG2 ILE 72 -1.034 3.546 -3.120 546 HG22 ILE 72 2HG2 ILE 72 -0.213 2.021 -3.452 547 HG23 ILE 72 3HG2 ILE 72 -1.253 2.747 -4.676 548 HD11 ILE 72 1HD1 ILE 72 1.929 0.731 -4.919 549 HD12 ILE 72 2HD1 ILE 72 1.653 1.709 -3.477 550 HD13 ILE 72 3HD1 ILE 72 3.164 1.867 -4.374 551 H ASP 73 H ASP 73 0.961 6.686 -3.673 552 HA ASP 73 HA ASP 73 -1.287 7.040 -2.000 553 HB2 ASP 73 2HB ASP 73 0.880 9.014 -2.779 554 HB3 ASP 73 1HB ASP 73 -0.230 9.223 -1.426 555 H ALA 74 H ALA 74 -0.394 8.770 -4.992 556 HA ALA 74 HA ALA 74 -2.559 10.648 -4.861 557 HB1 ALA 74 1HB ALA 74 -1.732 9.912 -7.572 558 HB2 ALA 74 2HB ALA 74 -0.369 10.269 -6.512 559 HB3 ALA 74 3HB ALA 74 -1.636 11.471 -6.754 560 H PHE 75 H PHE 75 -2.271 7.453 -6.387 561 HA PHE 75 HA PHE 75 -4.762 7.511 -7.764 562 HB2 PHE 75 2HB PHE 75 -2.983 5.790 -8.094 563 HB3 PHE 75 1HB PHE 75 -3.422 5.101 -6.533 564 HD1 PHE 75 1HD PHE 75 -4.602 5.760 -9.977 565 HD2 PHE 75 2HD PHE 75 -5.444 3.818 -6.240 566 HE1 PHE 75 1HE PHE 75 -6.438 4.486 -11.054 567 HE2 PHE 75 2HE PHE 75 -7.279 2.543 -7.315 568 HZ PHE 75 HZ PHE 75 -7.775 2.878 -9.722 569 H VAL 76 H VAL 76 -3.989 6.162 -4.535 570 HA VAL 76 HA VAL 76 -6.717 5.522 -3.924 571 HB VAL 76 HB VAL 76 -4.296 5.978 -2.162 572 HG11 VAL 76 1HG1 VAL 76 -5.803 4.590 -0.549 573 HG12 VAL 76 2HG1 VAL 76 -7.130 5.186 -1.546 574 HG13 VAL 76 3HG1 VAL 76 -6.088 6.324 -0.694 575 HG21 VAL 76 1HG2 VAL 76 -5.729 3.437 -3.000 576 HG22 VAL 76 2HG2 VAL 76 -4.235 3.545 -2.069 577 HG23 VAL 76 3HG2 VAL 76 -4.256 4.041 -3.761 578 H VAL 77 H VAL 77 -4.659 8.339 -3.130 579 HA VAL 77 HA VAL 77 -6.599 9.688 -1.533 580 HB VAL 77 HB VAL 77 -4.285 10.689 -3.208 581 HG11 VAL 77 1HG1 VAL 77 -6.376 12.126 -1.657 582 HG12 VAL 77 2HG1 VAL 77 -5.449 12.659 -3.058 583 HG13 VAL 77 3HG1 VAL 77 -4.714 12.680 -1.455 584 HG21 VAL 77 1HG2 VAL 77 -3.020 10.415 -1.323 585 HG22 VAL 77 2HG2 VAL 77 -4.276 9.257 -0.885 586 HG23 VAL 77 3HG2 VAL 77 -4.334 10.902 -0.253 587 H GLY 78 H GLY 78 -5.944 9.724 -5.017 588 HA2 GLY 78 2HA GLY 78 -7.684 11.832 -5.744 589 HA3 GLY 78 1HA GLY 78 -7.258 10.487 -6.799 590 H ALA 79 H ALA 79 -8.391 8.433 -5.020 591 HA ALA 79 HA ALA 79 -11.252 8.952 -5.655 592 HB1 ALA 79 1HB ALA 79 -11.506 6.492 -5.535 593 HB2 ALA 79 2HB ALA 79 -9.795 6.351 -5.130 594 HB3 ALA 79 3HB ALA 79 -10.279 6.967 -6.710 595 H THR 80 H THR 80 -9.242 7.513 -3.071 596 HA THR 80 HA THR 80 -11.055 8.644 -1.062 597 HB THR 80 HB THR 80 -10.728 5.648 -1.268 598 HG1 THR 80 1HG THR 80 -13.058 7.209 -1.616 599 HG21 THR 80 1HG2 THR 80 -10.978 6.149 1.014 600 HG22 THR 80 2HG2 THR 80 -12.633 5.840 0.485 601 HG23 THR 80 3HG2 THR 80 -12.066 7.499 0.689 602 H THR 81 H THR 81 -9.975 8.992 0.857 603 HA THR 81 HA THR 81 -7.261 7.765 1.121 604 HB THR 81 HB THR 81 -7.165 10.189 0.629 605 HG1 THR 81 1HG THR 81 -6.193 8.949 2.815 606 HG21 THR 81 1HG2 THR 81 -8.228 11.021 3.227 607 HG22 THR 81 2HG2 THR 81 -9.455 10.303 2.184 608 HG23 THR 81 3HG2 THR 81 -8.526 11.694 1.625 609 HA PRO 82 HA PRO 82 -9.597 6.621 4.899 610 HB2 PRO 82 2HB PRO 82 -9.185 3.978 4.818 611 HB3 PRO 82 1HB PRO 82 -10.350 4.760 3.731 612 HG2 PRO 82 2HG PRO 82 -7.638 3.713 3.156 613 HG3 PRO 82 1HG PRO 82 -9.070 3.780 2.118 614 HD2 PRO 82 2HD PRO 82 -6.890 5.610 2.118 615 HD3 PRO 82 1HD PRO 82 -8.427 5.786 1.243 616 HA PRO 83 HA PRO 83 -5.501 6.455 6.978 617 HB2 PRO 83 2HB PRO 83 -6.235 7.771 9.247 618 HB3 PRO 83 1HB PRO 83 -5.814 8.609 7.742 619 HG2 PRO 83 2HG PRO 83 -8.469 8.109 8.945 620 HG3 PRO 83 1HG PRO 83 -7.904 9.473 7.969 621 HD2 PRO 83 2HD PRO 83 -9.469 7.352 7.032 622 HD3 PRO 83 1HD PRO 83 -8.545 8.476 6.014 623 H VAL 84 H VAL 84 -4.836 4.728 8.219 624 HA VAL 84 HA VAL 84 -6.828 3.515 10.097 625 HB VAL 84 HB VAL 84 -4.794 1.997 8.442 626 HG11 VAL 84 1HG1 VAL 84 -7.188 1.023 10.023 627 HG12 VAL 84 2HG1 VAL 84 -5.538 1.020 10.644 628 HG13 VAL 84 3HG1 VAL 84 -5.956 0.032 9.243 629 HG21 VAL 84 1HG2 VAL 84 -6.635 3.078 7.093 630 HG22 VAL 84 2HG2 VAL 84 -7.797 2.164 8.053 631 HG23 VAL 84 3HG2 VAL 84 -6.639 1.316 7.029 632 H GLU 85 H GLU 85 -6.053 3.138 12.135 633 HA GLU 85 HA GLU 85 -3.535 4.235 12.948 634 HB2 GLU 85 2HB GLU 85 -5.384 2.286 14.358 635 HB3 GLU 85 1HB GLU 85 -4.019 3.102 15.123 636 HG2 GLU 85 2HG GLU 85 -5.031 5.296 14.546 637 HG3 GLU 85 1HG GLU 85 -6.417 4.454 13.851 638 H ALA 86 H ALA 86 -4.541 0.945 12.108 639 HA ALA 86 HA ALA 86 -1.677 0.193 11.962 640 HB1 ALA 86 1HB ALA 86 -2.200 -0.548 14.181 641 HB2 ALA 86 2HB ALA 86 -2.242 -1.984 13.160 642 HB3 ALA 86 3HB ALA 86 -3.748 -1.216 13.663 643 H LYS 87 H LYS 87 -1.350 -1.761 10.660 644 HA LYS 87 HA LYS 87 -3.182 -1.910 8.426 645 HB2 LYS 87 2HB LYS 87 -0.653 -2.350 8.402 646 HB3 LYS 87 1HB LYS 87 -1.030 -3.931 9.088 647 HG2 LYS 87 2HG LYS 87 -2.539 -4.381 7.164 648 HG3 LYS 87 1HG LYS 87 -2.078 -2.828 6.466 649 HD2 LYS 87 2HD LYS 87 0.353 -3.676 6.673 650 HD3 LYS 87 1HD LYS 87 -0.363 -5.271 6.890 651 HE2 LYS 87 2HE LYS 87 -0.622 -3.437 4.494 652 HE3 LYS 87 1HE LYS 87 0.065 -5.061 4.542 653 HZ1 LYS 87 1HZ LYS 87 -2.032 -5.448 3.729 654 HZ2 LYS 87 2HZ LYS 87 -2.754 -4.234 4.673 655 HZ3 LYS 87 3HZ LYS 87 -2.279 -5.699 5.389 656 H LEU 88 H LEU 88 -4.891 -3.292 8.143 657 HA LEU 88 HA LEU 88 -5.480 -5.183 10.352 658 HB2 LEU 88 2HB LEU 88 -7.220 -4.391 7.997 659 HB3 LEU 88 1HB LEU 88 -7.735 -5.251 9.449 660 HG LEU 88 HG LEU 88 -6.686 -2.409 9.313 661 HD11 LEU 88 1HD1 LEU 88 -9.177 -2.547 10.600 662 HD12 LEU 88 2HD1 LEU 88 -9.326 -3.614 9.204 663 HD13 LEU 88 3HD1 LEU 88 -8.863 -1.927 8.980 664 HD21 LEU 88 1HD2 LEU 88 -7.476 -2.555 11.813 665 HD22 LEU 88 2HD2 LEU 88 -5.884 -3.175 11.376 666 HD23 LEU 88 3HD2 LEU 88 -7.234 -4.288 11.598 667 H GLN 89 H GLN 89 -5.655 -7.406 10.022 668 HA GLN 89 HA GLN 89 -4.076 -8.701 8.128 669 HB2 GLN 89 2HB GLN 89 -6.642 -9.703 9.399 670 HB3 GLN 89 1HB GLN 89 -5.470 -10.725 8.567 671 HG2 GLN 89 2HG GLN 89 -3.728 -10.070 10.169 672 HG3 GLN 89 1HG GLN 89 -4.868 -9.000 10.988 673 HE21 GLN 89 1HE2 GLN 89 -3.615 -11.177 12.373 674 HE22 GLN 89 2HE2 GLN 89 -4.810 -12.320 12.762 675 H1 PN7 101 3HO SAT 101 5.441 -8.201 -11.204 676 H2 PN7 101 1H1 SAT 101 4.363 -8.087 -8.695 677 H3 PN7 101 2H1 SAT 101 2.730 -8.387 -8.099 678 H5 PN7 101 1HE1 SAT 101 4.073 -6.250 -10.469 679 H6 PN7 101 2HE1 SAT 101 2.811 -6.065 -9.253 680 H7 PN7 101 3HE1 SAT 101 2.395 -6.030 -10.966 681 H8 PN7 101 2HE2 SAT 101 1.143 -9.230 -9.768 682 H9 PN7 101 3HE2 SAT 101 1.046 -8.390 -11.315 683 H10 PN7 101 1HE2 SAT 101 0.786 -7.503 -9.813 684 H11 PN7 101 3H SAT 101 3.013 -9.504 -11.716 685 H12 PN7 101 5H SAT 101 4.656 -5.947 -12.481 686 H13 PN7 101 1H6 SAT 101 6.727 -6.868 -13.190 687 H14 PN7 101 2H6 SAT 101 6.040 -8.482 -13.014 688 H15 PN7 101 1H7 SAT 101 6.231 -6.812 -15.391 689 H16 PN7 101 2H7 SAT 101 4.567 -7.315 -15.089 690 H17 PN7 101 9H SAT 101 4.459 -10.118 -14.816 691 H18 PN7 101 1H10 SAT 101 3.498 -9.921 -17.124 692 H19 PN7 101 2H10 SAT 101 5.144 -9.639 -17.689 693 H20 PN7 101 1H11 SAT 101 4.796 -11.913 -18.189 694 H21 PN7 101 2H11 SAT 101 3.906 -12.199 -16.693 695 H22 PN7 101 2HS1 SAT 101 6.133 -13.038 -15.926 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -0.685 13.663 1.005 2 H2 MET 1 2HT MET 1 0.095 12.687 -0.145 3 H3 MET 1 3HT MET 1 1.003 13.721 0.851 4 HA MET 1 HA MET 1 0.310 11.060 1.313 5 HB2 MET 1 2HB MET 1 1.628 13.194 3.017 6 HB3 MET 1 1HB MET 1 1.645 11.470 3.394 7 HG2 MET 1 2HG MET 1 2.691 11.049 1.157 8 HG3 MET 1 1HG MET 1 2.798 12.793 0.924 9 HE1 MET 1 1HE MET 1 5.172 11.098 0.576 10 HE2 MET 1 2HE MET 1 6.465 11.766 1.571 11 HE3 MET 1 3HE MET 1 5.427 12.847 0.646 12 H GLN 2 H GLN 2 -2.150 12.493 1.305 13 HA GLN 2 HA GLN 2 -3.113 13.176 3.895 14 HB2 GLN 2 2HB GLN 2 -4.605 11.987 1.534 15 HB3 GLN 2 1HB GLN 2 -5.368 12.729 2.941 16 HG2 GLN 2 2HG GLN 2 -4.126 14.841 2.445 17 HG3 GLN 2 1HG GLN 2 -3.507 14.090 0.974 18 HE21 GLN 2 1HE2 GLN 2 -6.520 12.772 1.341 19 HE22 GLN 2 2HE2 GLN 2 -7.431 13.875 0.428 20 H HIS 3 H HIS 3 -2.910 10.054 2.223 21 HA HIS 3 HA HIS 3 -3.484 8.735 4.841 22 HB2 HIS 3 2HB HIS 3 -4.475 7.666 2.190 23 HB3 HIS 3 1HB HIS 3 -4.917 7.124 3.809 24 HD1 HIS 3 1HD HIS 3 -5.861 9.409 5.307 25 HD2 HIS 3 2HD HIS 3 -6.494 9.245 1.188 26 HE1 HIS 3 1HE HIS 3 -7.762 11.010 4.809 27 HE2 HIS 3 2HE HIS 3 -8.153 10.918 2.305 28 H ALA 4 H ALA 4 -1.131 9.319 2.804 29 HA ALA 4 HA ALA 4 -0.172 6.811 1.866 30 HB1 ALA 4 1HB ALA 4 0.847 8.852 1.076 31 HB2 ALA 4 2HB ALA 4 2.088 7.936 1.931 32 HB3 ALA 4 3HB ALA 4 1.312 9.313 2.714 33 H SER 5 H SER 5 0.147 8.380 5.032 34 HA SER 5 HA SER 5 2.120 6.620 6.096 35 HB2 SER 5 2HB SER 5 1.399 7.395 8.279 36 HB3 SER 5 1HB SER 5 1.341 8.758 7.166 37 HG SER 5 HG SER 5 -0.960 7.277 7.212 38 H VAL 6 H VAL 6 -1.398 6.331 5.858 39 HA VAL 6 HA VAL 6 -1.625 3.965 7.475 40 HB VAL 6 HB VAL 6 -3.351 5.007 5.223 41 HG11 VAL 6 1HG1 VAL 6 -5.049 3.475 6.547 42 HG12 VAL 6 2HG1 VAL 6 -3.582 2.618 7.019 43 HG13 VAL 6 3HG1 VAL 6 -4.002 2.776 5.313 44 HG21 VAL 6 1HG2 VAL 6 -3.539 6.559 6.959 45 HG22 VAL 6 2HG2 VAL 6 -3.294 5.338 8.209 46 HG23 VAL 6 3HG2 VAL 6 -4.834 5.429 7.353 47 H ILE 7 H ILE 7 -1.003 4.529 4.055 48 HA ILE 7 HA ILE 7 -1.175 1.792 3.221 49 HB ILE 7 HB ILE 7 0.423 4.084 2.047 50 HG12 ILE 7 2HG1 ILE 7 -2.327 3.024 1.317 51 HG13 ILE 7 1HG1 ILE 7 -2.047 4.471 2.286 52 HG21 ILE 7 1HG2 ILE 7 -0.403 1.378 0.961 53 HG22 ILE 7 2HG2 ILE 7 1.234 2.009 1.138 54 HG23 ILE 7 3HG2 ILE 7 0.148 2.702 -0.065 55 HD11 ILE 7 1HD1 ILE 7 -0.466 4.502 -0.158 56 HD12 ILE 7 2HD1 ILE 7 -1.596 5.708 0.456 57 HD13 ILE 7 3HD1 ILE 7 -2.189 4.352 -0.503 58 H ALA 8 H ALA 8 1.567 3.782 4.329 59 HA ALA 8 HA ALA 8 3.582 1.820 3.833 60 HB1 ALA 8 1HB ALA 8 4.951 3.116 5.428 61 HB2 ALA 8 2HB ALA 8 3.511 3.996 5.941 62 HB3 ALA 8 3HB ALA 8 4.115 4.176 4.293 63 H GLN 9 H GLN 9 1.829 2.581 6.859 64 HA GLN 9 HA GLN 9 3.038 0.378 8.284 65 HB2 GLN 9 2HB GLN 9 1.093 0.784 9.910 66 HB3 GLN 9 1HB GLN 9 2.205 2.127 9.654 67 HG2 GLN 9 2HG GLN 9 0.529 3.418 8.903 68 HG3 GLN 9 1HG GLN 9 0.127 2.228 7.670 69 HE21 GLN 9 1HE2 GLN 9 -1.068 0.175 8.728 70 HE22 GLN 9 2HE2 GLN 9 -2.300 0.565 9.829 71 H PHE 10 H PHE 10 -0.101 0.818 6.672 72 HA PHE 10 HA PHE 10 -1.197 -1.725 7.319 73 HB2 PHE 10 2HB PHE 10 -2.463 0.164 6.281 74 HB3 PHE 10 1HB PHE 10 -1.598 -0.130 4.773 75 HD1 PHE 10 1HD PHE 10 -2.140 -1.993 3.354 76 HD2 PHE 10 2HD PHE 10 -4.026 -1.551 7.187 77 HE1 PHE 10 1HE PHE 10 -3.787 -3.743 2.744 78 HE2 PHE 10 2HE PHE 10 -5.674 -3.304 6.578 79 HZ PHE 10 HZ PHE 10 -5.555 -4.398 4.355 80 H VAL 11 H VAL 11 0.678 -0.686 4.479 81 HA VAL 11 HA VAL 11 0.762 -3.302 3.277 82 HB VAL 11 HB VAL 11 2.573 -0.894 2.936 83 HG11 VAL 11 1HG1 VAL 11 3.880 -2.434 1.884 84 HG12 VAL 11 2HG1 VAL 11 2.681 -2.292 0.598 85 HG13 VAL 11 3HG1 VAL 11 2.569 -3.607 1.768 86 HG21 VAL 11 1HG2 VAL 11 1.168 -0.277 1.138 87 HG22 VAL 11 2HG2 VAL 11 0.040 -0.776 2.398 88 HG23 VAL 11 3HG2 VAL 11 0.414 -1.871 1.067 89 H VAL 12 H VAL 12 3.119 -1.471 5.229 90 HA VAL 12 HA VAL 12 5.125 -3.507 5.253 91 HB VAL 12 HB VAL 12 4.547 -1.318 7.252 92 HG11 VAL 12 1HG1 VAL 12 6.697 -3.367 7.013 93 HG12 VAL 12 2HG1 VAL 12 6.007 -2.625 8.455 94 HG13 VAL 12 3HG1 VAL 12 7.179 -1.737 7.483 95 HG21 VAL 12 1HG2 VAL 12 5.168 -0.943 4.675 96 HG22 VAL 12 2HG2 VAL 12 6.794 -1.247 5.288 97 HG23 VAL 12 3HG2 VAL 12 5.839 0.082 5.945 98 H GLU 13 H GLU 13 2.353 -2.885 7.351 99 HA GLU 13 HA GLU 13 2.968 -4.667 9.453 100 HB2 GLU 13 2HB GLU 13 1.055 -3.087 9.478 101 HB3 GLU 13 1HB GLU 13 0.239 -4.097 8.291 102 HG2 GLU 13 2HG GLU 13 0.352 -6.009 9.880 103 HG3 GLU 13 1HG GLU 13 1.072 -4.929 11.072 104 H GLU 14 H GLU 14 1.820 -5.300 6.208 105 HA GLU 14 HA GLU 14 0.883 -7.972 6.638 106 HB2 GLU 14 2HB GLU 14 0.461 -6.611 4.574 107 HB3 GLU 14 1HB GLU 14 2.153 -6.838 4.128 108 HG2 GLU 14 2HG GLU 14 1.804 -9.305 4.198 109 HG3 GLU 14 1HG GLU 14 0.095 -9.025 4.527 110 H PHE 15 H PHE 15 4.080 -6.602 6.207 111 HA PHE 15 HA PHE 15 5.280 -9.157 7.018 112 HB2 PHE 15 2HB PHE 15 6.906 -8.702 4.897 113 HB3 PHE 15 1HB PHE 15 5.513 -9.779 4.826 114 HD1 PHE 15 1HD PHE 15 4.442 -9.522 2.775 115 HD2 PHE 15 2HD PHE 15 5.807 -6.037 4.884 116 HE1 PHE 15 1HE PHE 15 3.387 -8.071 1.066 117 HE2 PHE 15 2HE PHE 15 4.755 -4.589 3.172 118 HZ PHE 15 HZ PHE 15 3.542 -5.605 1.267 119 H LEU 16 H LEU 16 5.329 -6.988 8.573 120 HA LEU 16 HA LEU 16 7.572 -5.254 7.953 121 HB2 LEU 16 2HB LEU 16 7.020 -4.060 9.890 122 HB3 LEU 16 1HB LEU 16 5.472 -4.651 9.320 123 HG LEU 16 HG LEU 16 7.140 -5.963 11.486 124 HD11 LEU 16 1HD1 LEU 16 6.280 -3.942 12.386 125 HD12 LEU 16 2HD1 LEU 16 5.146 -5.194 12.895 126 HD13 LEU 16 3HD1 LEU 16 4.741 -4.133 11.545 127 HD21 LEU 16 1HD2 LEU 16 5.026 -7.268 11.850 128 HD22 LEU 16 2HD2 LEU 16 5.751 -7.588 10.278 129 HD23 LEU 16 3HD2 LEU 16 4.356 -6.521 10.401 130 HA PRO 17 HA PRO 17 10.605 -7.975 9.756 131 HB2 PRO 17 2HB PRO 17 12.686 -6.208 9.943 132 HB3 PRO 17 1HB PRO 17 12.165 -6.917 8.405 133 HG2 PRO 17 2HG PRO 17 11.591 -4.227 9.535 134 HG3 PRO 17 1HG PRO 17 11.959 -4.696 7.868 135 HD2 PRO 17 2HD PRO 17 9.421 -4.183 8.766 136 HD3 PRO 17 1HD PRO 17 9.780 -5.282 7.419 137 H ASP 18 H ASP 18 12.607 -6.892 11.569 138 HA ASP 18 HA ASP 18 10.994 -6.788 14.005 139 HB2 ASP 18 2HB ASP 18 13.975 -6.669 13.514 140 HB3 ASP 18 1HB ASP 18 13.244 -6.669 15.115 141 H VAL 19 H VAL 19 11.318 -4.553 11.824 142 HA VAL 19 HA VAL 19 11.998 -2.333 13.714 143 HB VAL 19 HB VAL 19 11.945 -2.292 10.686 144 HG11 VAL 19 1HG1 VAL 19 12.629 -0.313 12.840 145 HG12 VAL 19 2HG1 VAL 19 11.705 -0.071 11.357 146 HG13 VAL 19 3HG1 VAL 19 13.460 -0.224 11.288 147 HG21 VAL 19 1HG2 VAL 19 14.070 -2.971 12.677 148 HG22 VAL 19 2HG2 VAL 19 14.542 -2.027 11.264 149 HG23 VAL 19 3HG2 VAL 19 13.806 -3.616 11.057 150 H ALA 20 H ALA 20 10.429 -0.795 14.119 151 HA ALA 20 HA ALA 20 7.710 -1.356 13.283 152 HB1 ALA 20 1HB ALA 20 8.917 0.083 15.356 153 HB2 ALA 20 2HB ALA 20 7.186 -0.047 15.044 154 HB3 ALA 20 3HB ALA 20 8.101 1.306 14.381 155 HA PRO 21 HA PRO 21 7.697 0.848 9.382 156 HB2 PRO 21 2HB PRO 21 5.093 1.982 10.288 157 HB3 PRO 21 1HB PRO 21 5.490 1.130 8.785 158 HG2 PRO 21 2HG PRO 21 4.123 -0.019 10.794 159 HG3 PRO 21 1HG PRO 21 5.191 -0.922 9.710 160 HD2 PRO 21 2HD PRO 21 5.586 -0.230 12.559 161 HD3 PRO 21 1HD PRO 21 6.323 -1.523 11.587 162 H ALA 22 H ALA 22 6.926 2.517 12.390 163 HA ALA 22 HA ALA 22 7.190 5.200 11.370 164 HB1 ALA 22 1HB ALA 22 6.127 5.214 13.422 165 HB2 ALA 22 2HB ALA 22 7.775 5.549 13.954 166 HB3 ALA 22 3HB ALA 22 7.125 3.912 14.065 167 H ASP 23 H ASP 23 9.462 2.740 12.057 168 HA ASP 23 HA ASP 23 11.683 4.708 12.303 169 HB2 ASP 23 2HB ASP 23 11.574 1.715 12.778 170 HB3 ASP 23 1HB ASP 23 13.050 2.676 12.878 171 H VAL 24 H VAL 24 10.018 3.328 9.907 172 HA VAL 24 HA VAL 24 12.412 2.685 8.247 173 HB VAL 24 HB VAL 24 9.477 2.173 7.666 174 HG11 VAL 24 1HG1 VAL 24 11.818 2.134 6.030 175 HG12 VAL 24 2HG1 VAL 24 10.179 1.646 5.596 176 HG13 VAL 24 3HG1 VAL 24 11.302 0.465 6.272 177 HG21 VAL 24 1HG2 VAL 24 10.252 0.855 9.592 178 HG22 VAL 24 2HG2 VAL 24 11.660 0.319 8.676 179 HG23 VAL 24 3HG2 VAL 24 10.043 -0.191 8.188 180 H ASP 25 H ASP 25 12.909 4.008 6.511 181 HA ASP 25 HA ASP 25 11.684 6.625 6.421 182 HB2 ASP 25 2HB ASP 25 14.078 6.152 5.824 183 HB3 ASP 25 1HB ASP 25 13.506 5.343 4.364 184 H VAL 26 H VAL 26 9.498 6.442 5.879 185 HA VAL 26 HA VAL 26 8.435 4.777 3.820 186 HB VAL 26 HB VAL 26 6.454 6.199 3.933 187 HG11 VAL 26 1HG1 VAL 26 6.541 6.472 6.629 188 HG12 VAL 26 2HG1 VAL 26 7.896 5.371 6.392 189 HG13 VAL 26 3HG1 VAL 26 6.288 4.924 5.825 190 HG21 VAL 26 1HG2 VAL 26 7.387 8.398 3.841 191 HG22 VAL 26 2HG2 VAL 26 8.366 8.119 5.280 192 HG23 VAL 26 3HG2 VAL 26 6.616 8.276 5.422 193 H ASP 27 H ASP 27 10.726 7.038 3.376 194 HA ASP 27 HA ASP 27 9.591 8.185 0.885 195 HB2 ASP 27 2HB ASP 27 12.196 8.704 2.352 196 HB3 ASP 27 1HB ASP 27 11.724 9.504 0.853 197 H LEU 28 H LEU 28 10.891 5.348 1.670 198 HA LEU 28 HA LEU 28 12.810 5.172 -0.585 199 HB2 LEU 28 2HB LEU 28 13.385 4.162 1.623 200 HB3 LEU 28 1HB LEU 28 12.018 3.068 1.449 201 HG LEU 28 HG LEU 28 13.855 3.161 -0.871 202 HD11 LEU 28 1HD1 LEU 28 15.458 3.313 1.005 203 HD12 LEU 28 2HD1 LEU 28 15.538 1.732 0.230 204 HD13 LEU 28 3HD1 LEU 28 14.694 1.919 1.768 205 HD21 LEU 28 1HD2 LEU 28 13.231 0.922 -1.072 206 HD22 LEU 28 2HD2 LEU 28 11.813 1.587 -0.264 207 HD23 LEU 28 3HD2 LEU 28 13.031 0.716 0.667 208 H ASP 29 H ASP 29 12.323 4.104 -2.473 209 HA ASP 29 HA ASP 29 9.603 3.577 -3.136 210 HB2 ASP 29 2HB ASP 29 12.161 2.572 -4.425 211 HB3 ASP 29 1HB ASP 29 10.558 2.408 -5.140 212 H LEU 30 H LEU 30 8.367 1.895 -2.469 213 HA LEU 30 HA LEU 30 9.485 -0.261 -0.938 214 HB2 LEU 30 2HB LEU 30 7.235 -1.120 -0.810 215 HB3 LEU 30 1HB LEU 30 7.148 0.635 -0.689 216 HG LEU 30 HG LEU 30 7.027 0.064 -3.450 217 HD11 LEU 30 1HD1 LEU 30 6.477 -2.252 -3.004 218 HD12 LEU 30 2HD1 LEU 30 4.995 -1.428 -3.480 219 HD13 LEU 30 3HD1 LEU 30 5.294 -1.784 -1.782 220 HD21 LEU 30 1HD2 LEU 30 5.882 1.904 -2.322 221 HD22 LEU 30 2HD2 LEU 30 4.872 0.763 -1.433 222 HD23 LEU 30 3HD2 LEU 30 4.697 0.918 -3.180 223 H VAL 31 H VAL 31 10.150 0.149 -3.986 224 HA VAL 31 HA VAL 31 9.253 -2.097 -5.449 225 HB VAL 31 HB VAL 31 11.966 -0.737 -5.480 226 HG11 VAL 31 1HG1 VAL 31 12.605 -2.467 -6.782 227 HG12 VAL 31 2HG1 VAL 31 11.472 -1.851 -7.985 228 HG13 VAL 31 3HG1 VAL 31 10.964 -3.108 -6.857 229 HG21 VAL 31 1HG2 VAL 31 9.440 0.170 -6.257 230 HG22 VAL 31 2HG2 VAL 31 10.194 -0.361 -7.760 231 HG23 VAL 31 3HG2 VAL 31 10.992 0.847 -6.753 232 H ASP 32 H ASP 32 11.916 -1.780 -3.142 233 HA ASP 32 HA ASP 32 13.024 -4.377 -3.399 234 HB2 ASP 32 2HB ASP 32 12.700 -2.637 -0.930 235 HB3 ASP 32 1HB ASP 32 13.691 -4.096 -0.986 236 H ASN 33 H ASN 33 10.174 -3.201 -1.722 237 HA ASN 33 HA ASN 33 9.556 -5.818 -0.556 238 HB2 ASN 33 2HB ASN 33 7.865 -3.319 -0.749 239 HB3 ASN 33 1HB ASN 33 7.523 -4.723 0.257 240 HD21 ASN 33 1HD2 ASN 33 8.530 -1.699 0.656 241 HD22 ASN 33 2HD2 ASN 33 9.689 -1.889 1.881 242 H GLY 34 H GLY 34 9.708 -5.026 -3.576 243 HA2 GLY 34 2HA GLY 34 7.298 -5.146 -4.908 244 HA3 GLY 34 1HA GLY 34 8.725 -6.010 -5.482 245 H VAL 35 H VAL 35 8.490 -7.458 -2.703 246 HA VAL 35 HA VAL 35 7.431 -9.895 -3.627 247 HB VAL 35 HB VAL 35 7.543 -8.730 -0.830 248 HG11 VAL 35 1HG1 VAL 35 7.225 -11.150 -0.118 249 HG12 VAL 35 2HG1 VAL 35 6.699 -11.482 -1.769 250 HG13 VAL 35 3HG1 VAL 35 5.784 -10.362 -0.761 251 HG21 VAL 35 1HG2 VAL 35 9.405 -10.386 -0.620 252 HG22 VAL 35 2HG2 VAL 35 9.713 -9.174 -1.864 253 HG23 VAL 35 3HG2 VAL 35 9.192 -10.796 -2.323 254 H ILE 36 H ILE 36 5.798 -7.136 -2.147 255 HA ILE 36 HA ILE 36 3.215 -8.396 -1.907 256 HB ILE 36 HB ILE 36 4.151 -6.192 -0.834 257 HG12 ILE 36 2HG1 ILE 36 1.328 -6.459 -1.913 258 HG13 ILE 36 1HG1 ILE 36 1.925 -7.073 -0.375 259 HG21 ILE 36 1HG2 ILE 36 3.784 -4.197 -2.036 260 HG22 ILE 36 2HG2 ILE 36 2.722 -4.990 -3.200 261 HG23 ILE 36 3HG2 ILE 36 4.461 -5.279 -3.252 262 HD11 ILE 36 1HD1 ILE 36 2.615 -4.349 -0.397 263 HD12 ILE 36 2HD1 ILE 36 1.343 -5.110 0.559 264 HD13 ILE 36 3HD1 ILE 36 0.967 -4.420 -1.020 265 H ASP 37 H ASP 37 4.915 -6.856 -4.515 266 HA ASP 37 HA ASP 37 2.754 -6.038 -6.136 267 HB2 ASP 37 2HB ASP 37 5.465 -7.100 -6.961 268 HB3 ASP 37 1HB ASP 37 4.340 -6.286 -8.041 269 H SER 38 H SER 38 4.162 -9.281 -5.774 270 HA SER 38 HA SER 38 2.222 -10.248 -7.815 271 HB2 SER 38 2HB SER 38 4.616 -11.654 -6.623 272 HB3 SER 38 1HB SER 38 3.619 -12.262 -7.935 273 H LEU 39 H LEU 39 3.593 -11.626 -4.806 274 HA LEU 39 HA LEU 39 1.306 -13.321 -4.441 275 HB2 LEU 39 2HB LEU 39 3.613 -13.794 -3.573 276 HB3 LEU 39 1HB LEU 39 3.349 -12.539 -2.367 277 HG LEU 39 HG LEU 39 1.201 -14.564 -2.557 278 HD11 LEU 39 1HD1 LEU 39 2.529 -16.197 -1.207 279 HD12 LEU 39 2HD1 LEU 39 3.972 -15.233 -1.523 280 HD13 LEU 39 3HD1 LEU 39 3.130 -16.024 -2.856 281 HD21 LEU 39 1HD2 LEU 39 2.787 -13.307 -0.294 282 HD22 LEU 39 2HD2 LEU 39 1.413 -14.389 -0.073 283 HD23 LEU 39 3HD2 LEU 39 1.184 -12.818 -0.840 284 H GLY 40 H GLY 40 2.392 -10.451 -2.621 285 HA2 GLY 40 2HA GLY 40 0.045 -10.357 -0.969 286 HA3 GLY 40 1HA GLY 40 1.168 -9.026 -1.212 287 H LEU 41 H LEU 41 0.874 -8.898 -4.076 288 HA LEU 41 HA LEU 41 -1.296 -7.091 -4.292 289 HB2 LEU 41 2HB LEU 41 0.630 -7.219 -5.875 290 HB3 LEU 41 1HB LEU 41 -0.037 -8.718 -6.521 291 HG LEU 41 HG LEU 41 -2.218 -7.227 -6.805 292 HD11 LEU 41 1HD1 LEU 41 0.048 -5.217 -6.881 293 HD12 LEU 41 2HD1 LEU 41 -1.260 -5.255 -5.697 294 HD13 LEU 41 3HD1 LEU 41 -1.613 -4.905 -7.390 295 HD21 LEU 41 1HD2 LEU 41 -1.453 -6.689 -9.098 296 HD22 LEU 41 2HD2 LEU 41 -0.985 -8.326 -8.635 297 HD23 LEU 41 3HD2 LEU 41 0.209 -7.029 -8.616 298 H LEU 42 H LEU 42 -1.075 -10.544 -5.120 299 HA LEU 42 HA LEU 42 -3.701 -10.781 -6.215 300 HB2 LEU 42 2HB LEU 42 -1.913 -12.552 -6.333 301 HB3 LEU 42 1HB LEU 42 -2.195 -12.882 -4.631 302 HG LEU 42 HG LEU 42 -4.695 -13.146 -5.350 303 HD11 LEU 42 1HD1 LEU 42 -5.168 -13.312 -7.564 304 HD12 LEU 42 2HD1 LEU 42 -3.675 -14.185 -7.908 305 HD13 LEU 42 3HD1 LEU 42 -3.657 -12.428 -7.782 306 HD21 LEU 42 1HD2 LEU 42 -3.859 -15.140 -4.587 307 HD22 LEU 42 2HD2 LEU 42 -2.387 -15.007 -5.549 308 HD23 LEU 42 3HD2 LEU 42 -3.886 -15.554 -6.300 309 H LYS 43 H LYS 43 -2.481 -11.125 -2.892 310 HA LYS 43 HA LYS 43 -5.050 -11.714 -1.729 311 HB2 LYS 43 2HB LYS 43 -2.528 -10.563 -0.523 312 HB3 LYS 43 1HB LYS 43 -3.919 -11.106 0.408 313 HG2 LYS 43 2HG LYS 43 -3.679 -13.366 -0.627 314 HG3 LYS 43 1HG LYS 43 -2.214 -12.805 -1.433 315 HD2 LYS 43 2HD LYS 43 -1.244 -12.257 0.804 316 HD3 LYS 43 1HD LYS 43 -2.677 -12.955 1.559 317 HE2 LYS 43 2HE LYS 43 -1.065 -14.544 -0.429 318 HE3 LYS 43 1HE LYS 43 -0.584 -14.472 1.267 319 HZ1 LYS 43 1HZ LYS 43 -2.238 -16.291 0.400 320 HZ2 LYS 43 2HZ LYS 43 -3.384 -15.060 0.643 321 HZ3 LYS 43 3HZ LYS 43 -2.425 -15.601 1.937 322 H VAL 44 H VAL 44 -3.282 -8.740 -2.410 323 HA VAL 44 HA VAL 44 -4.879 -6.942 -0.886 324 HB VAL 44 HB VAL 44 -3.352 -6.534 -3.469 325 HG11 VAL 44 1HG1 VAL 44 -4.989 -4.771 -3.313 326 HG12 VAL 44 2HG1 VAL 44 -3.446 -4.102 -2.778 327 HG13 VAL 44 3HG1 VAL 44 -4.668 -4.558 -1.592 328 HG21 VAL 44 1HG2 VAL 44 -2.435 -5.337 -0.936 329 HG22 VAL 44 2HG2 VAL 44 -1.518 -6.212 -2.162 330 HG23 VAL 44 3HG2 VAL 44 -2.429 -7.101 -0.942 331 H ILE 45 H ILE 45 -5.230 -7.996 -4.288 332 HA ILE 45 HA ILE 45 -7.516 -6.388 -4.844 333 HB ILE 45 HB ILE 45 -6.768 -9.087 -6.009 334 HG12 ILE 45 2HG1 ILE 45 -4.916 -7.540 -6.279 335 HG13 ILE 45 1HG1 ILE 45 -5.745 -7.676 -7.826 336 HG21 ILE 45 1HG2 ILE 45 -8.077 -8.297 -7.949 337 HG22 ILE 45 2HG2 ILE 45 -8.503 -6.839 -7.053 338 HG23 ILE 45 3HG2 ILE 45 -9.068 -8.413 -6.495 339 HD11 ILE 45 1HD1 ILE 45 -5.739 -5.391 -5.878 340 HD12 ILE 45 2HD1 ILE 45 -7.118 -5.610 -6.957 341 HD13 ILE 45 3HD1 ILE 45 -5.505 -5.364 -7.625 342 H ALA 46 H ALA 46 -7.207 -9.683 -3.543 343 HA ALA 46 HA ALA 46 -10.027 -10.230 -3.492 344 HB1 ALA 46 1HB ALA 46 -9.233 -11.870 -1.606 345 HB2 ALA 46 2HB ALA 46 -7.617 -11.366 -2.100 346 HB3 ALA 46 3HB ALA 46 -8.693 -12.140 -3.264 347 H TRP 47 H TRP 47 -7.789 -8.948 -1.025 348 HA TRP 47 HA TRP 47 -9.902 -8.652 0.956 349 HB2 TRP 47 2HB TRP 47 -7.876 -8.825 2.037 350 HB3 TRP 47 1HB TRP 47 -7.002 -7.980 0.760 351 HD1 TRP 47 HD TRP 47 -9.061 -7.377 3.903 352 HE1 TRP 47 1HE TRP 47 -8.804 -4.909 4.605 353 HE3 TRP 47 3HE TRP 47 -6.530 -5.563 -0.143 354 HZ2 TRP 47 2HZ TRP 47 -7.672 -2.487 3.587 355 HZ3 TRP 47 3HZ TRP 47 -5.876 -3.176 -0.250 356 HH2 TRP 47 HH TRP 47 -6.442 -1.640 1.605 357 H LEU 48 H LEU 48 -8.125 -6.434 -1.185 358 HA LEU 48 HA LEU 48 -9.324 -4.024 -0.344 359 HB2 LEU 48 2HB LEU 48 -7.392 -4.243 -1.932 360 HB3 LEU 48 1HB LEU 48 -8.522 -4.759 -3.174 361 HG LEU 48 HG LEU 48 -9.770 -2.527 -2.481 362 HD11 LEU 48 1HD1 LEU 48 -6.872 -1.916 -1.877 363 HD12 LEU 48 2HD1 LEU 48 -8.110 -2.125 -0.643 364 HD13 LEU 48 3HD1 LEU 48 -8.228 -0.792 -1.791 365 HD21 LEU 48 1HD2 LEU 48 -7.498 -3.075 -4.335 366 HD22 LEU 48 2HD2 LEU 48 -7.983 -1.392 -4.132 367 HD23 LEU 48 3HD2 LEU 48 -9.152 -2.583 -4.703 368 H GLU 49 H GLU 49 -10.438 -6.420 -2.736 369 HA GLU 49 HA GLU 49 -12.703 -4.949 -3.655 370 HB2 GLU 49 2HB GLU 49 -12.141 -6.859 -4.926 371 HB3 GLU 49 1HB GLU 49 -12.059 -7.892 -3.504 372 HG2 GLU 49 2HG GLU 49 -14.686 -6.605 -3.980 373 HG3 GLU 49 1HG GLU 49 -14.200 -7.799 -5.178 374 H ASP 50 H ASP 50 -12.306 -7.223 -0.948 375 HA ASP 50 HA ASP 50 -15.055 -7.091 -0.101 376 HB2 ASP 50 2HB ASP 50 -13.379 -8.875 0.534 377 HB3 ASP 50 1HB ASP 50 -12.647 -7.691 1.614 378 H ARG 51 H ARG 51 -12.119 -5.372 0.910 379 HA ARG 51 HA ARG 51 -13.320 -3.893 3.029 380 HB2 ARG 51 2HB ARG 51 -10.857 -4.164 2.652 381 HB3 ARG 51 1HB ARG 51 -10.984 -3.050 1.294 382 HG2 ARG 51 2HG ARG 51 -10.349 -1.623 3.036 383 HG3 ARG 51 1HG ARG 51 -12.102 -1.452 3.046 384 HD2 ARG 51 2HD ARG 51 -12.245 -3.161 4.844 385 HD3 ARG 51 1HD ARG 51 -10.487 -3.284 4.845 386 HE ARG 51 HE ARG 51 -12.028 -1.202 6.119 387 HH11 ARG 51 1HH1 ARG 51 -10.865 0.505 7.037 388 HH12 ARG 51 2HH1 ARG 51 -9.217 0.764 6.569 389 HH21 ARG 51 1HH2 ARG 51 -9.150 -1.906 4.357 390 HH22 ARG 51 2HH2 ARG 51 -8.247 -0.601 5.051 391 H PHE 52 H PHE 52 -12.834 -3.002 -0.412 392 HA PHE 52 HA PHE 52 -14.506 -0.590 0.091 393 HB2 PHE 52 2HB PHE 52 -12.601 -1.310 -2.145 394 HB3 PHE 52 1HB PHE 52 -13.601 0.139 -2.135 395 HD1 PHE 52 1HD PHE 52 -10.708 -1.547 -0.643 396 HD2 PHE 52 2HD PHE 52 -13.230 1.926 -0.475 397 HE1 PHE 52 1HE PHE 52 -9.032 -0.399 0.779 398 HE2 PHE 52 2HE PHE 52 -11.554 3.074 0.948 399 HZ PHE 52 HZ PHE 52 -9.455 1.912 1.575 400 H GLY 53 H GLY 53 -14.831 -3.713 -1.122 401 HA2 GLY 53 2HA GLY 53 -16.673 -4.690 -2.233 402 HA3 GLY 53 1HA GLY 53 -17.457 -3.110 -2.196 403 H ILE 54 H ILE 54 -14.259 -3.572 -3.576 404 HA ILE 54 HA ILE 54 -15.351 -2.707 -6.200 405 HB ILE 54 HB ILE 54 -12.473 -2.983 -5.276 406 HG12 ILE 54 2HG1 ILE 54 -14.138 -0.468 -5.577 407 HG13 ILE 54 1HG1 ILE 54 -13.891 -1.286 -4.034 408 HG21 ILE 54 1HG2 ILE 54 -12.421 -3.015 -7.626 409 HG22 ILE 54 2HG2 ILE 54 -12.245 -1.299 -7.257 410 HG23 ILE 54 3HG2 ILE 54 -13.810 -1.937 -7.765 411 HD11 ILE 54 1HD1 ILE 54 -11.631 -0.334 -5.812 412 HD12 ILE 54 2HD1 ILE 54 -11.500 -0.961 -4.169 413 HD13 ILE 54 3HD1 ILE 54 -12.273 0.597 -4.459 414 H ALA 55 H ALA 55 -15.254 -4.044 -8.011 415 HA ALA 55 HA ALA 55 -15.087 -6.863 -7.627 416 HB1 ALA 55 1HB ALA 55 -16.109 -5.372 -9.585 417 HB2 ALA 55 2HB ALA 55 -15.608 -7.038 -9.873 418 HB3 ALA 55 3HB ALA 55 -14.546 -5.707 -10.330 419 H ALA 56 H ALA 56 -13.402 -8.279 -7.779 420 HA ALA 56 HA ALA 56 -10.701 -7.303 -7.641 421 HB1 ALA 56 1HB ALA 56 -11.902 -10.055 -7.995 422 HB2 ALA 56 2HB ALA 56 -11.142 -9.374 -6.555 423 HB3 ALA 56 3HB ALA 56 -10.157 -9.797 -7.956 424 H ASP 57 H ASP 57 -12.771 -8.286 -10.257 425 HA ASP 57 HA ASP 57 -10.911 -9.009 -12.239 426 HB2 ASP 57 2HB ASP 57 -13.515 -7.501 -12.476 427 HB3 ASP 57 1HB ASP 57 -12.622 -8.125 -13.860 428 H ASP 58 H ASP 58 -11.750 -5.809 -11.022 429 HA ASP 58 HA ASP 58 -10.596 -4.275 -13.128 430 HB2 ASP 58 2HB ASP 58 -12.029 -3.350 -11.302 431 HB3 ASP 58 1HB ASP 58 -10.680 -3.570 -10.191 432 H VAL 59 H VAL 59 -8.521 -4.233 -13.777 433 HA VAL 59 HA VAL 59 -6.386 -4.881 -11.780 434 HB VAL 59 HB VAL 59 -5.054 -5.721 -13.640 435 HG11 VAL 59 1HG1 VAL 59 -7.750 -6.906 -14.197 436 HG12 VAL 59 2HG1 VAL 59 -7.092 -7.041 -12.567 437 HG13 VAL 59 3HG1 VAL 59 -6.204 -7.715 -13.934 438 HG21 VAL 59 1HG2 VAL 59 -6.687 -5.866 -15.843 439 HG22 VAL 59 2HG2 VAL 59 -5.445 -4.636 -15.605 440 HG23 VAL 59 3HG2 VAL 59 -7.122 -4.289 -15.185 441 H GLU 60 H GLU 60 -7.641 -2.244 -12.444 442 HA GLU 60 HA GLU 60 -6.091 -0.614 -14.107 443 HB2 GLU 60 2HB GLU 60 -8.133 0.113 -12.859 444 HB3 GLU 60 1HB GLU 60 -7.169 0.175 -11.388 445 HG2 GLU 60 2HG GLU 60 -5.647 1.794 -12.497 446 HG3 GLU 60 1HG GLU 60 -6.711 1.788 -13.899 447 H LEU 61 H LEU 61 -5.230 -2.016 -11.018 448 HA LEU 61 HA LEU 61 -3.016 -0.233 -10.475 449 HB2 LEU 61 2HB LEU 61 -3.416 -3.084 -9.522 450 HB3 LEU 61 1HB LEU 61 -2.375 -1.867 -8.789 451 HG LEU 61 HG LEU 61 -5.387 -1.749 -9.005 452 HD11 LEU 61 1HD1 LEU 61 -4.195 -3.239 -7.244 453 HD12 LEU 61 2HD1 LEU 61 -5.431 -2.115 -6.676 454 HD13 LEU 61 3HD1 LEU 61 -3.723 -1.715 -6.493 455 HD21 LEU 61 1HD2 LEU 61 -4.875 0.297 -7.426 456 HD22 LEU 61 2HD2 LEU 61 -4.766 0.497 -9.175 457 HD23 LEU 61 3HD2 LEU 61 -3.301 0.265 -8.221 458 H SER 62 H SER 62 -0.888 -0.410 -11.097 459 HA SER 62 HA SER 62 -0.128 -2.730 -12.808 460 HB2 SER 62 2HB SER 62 1.384 -0.598 -13.730 461 HB3 SER 62 1HB SER 62 -0.055 -1.244 -14.511 462 HG SER 62 HG SER 62 0.319 1.105 -13.190 463 HA PRO 63 HA PRO 63 3.502 -3.205 -10.363 464 HB2 PRO 63 2HB PRO 63 5.508 -3.105 -12.329 465 HB3 PRO 63 1HB PRO 63 4.625 -4.553 -11.821 466 HG2 PRO 63 2HG PRO 63 4.235 -2.837 -14.197 467 HG3 PRO 63 1HG PRO 63 3.954 -4.573 -13.993 468 HD2 PRO 63 2HD PRO 63 1.919 -2.771 -14.083 469 HD3 PRO 63 1HD PRO 63 1.825 -4.264 -13.127 470 H GLU 64 H GLU 64 3.684 -0.663 -12.814 471 HA GLU 64 HA GLU 64 5.817 0.821 -11.568 472 HB2 GLU 64 2HB GLU 64 5.090 1.107 -13.948 473 HB3 GLU 64 1HB GLU 64 3.624 1.873 -13.359 474 HG2 GLU 64 2HG GLU 64 5.016 3.559 -12.182 475 HG3 GLU 64 1HG GLU 64 6.450 2.825 -12.892 476 H HIS 65 H HIS 65 2.390 0.577 -11.035 477 HA HIS 65 HA HIS 65 2.029 3.057 -9.616 478 HB2 HIS 65 2HB HIS 65 0.153 1.703 -10.528 479 HB3 HIS 65 1HB HIS 65 0.492 0.457 -9.327 480 HD1 HIS 65 1HD HIS 65 -0.870 0.657 -7.262 481 HD2 HIS 65 2HD HIS 65 -0.296 4.368 -9.076 482 HE1 HIS 65 1HE HIS 65 -2.143 2.344 -5.863 483 HE2 HIS 65 2HE HIS 65 -1.799 4.606 -6.958 484 H PHE 66 H PHE 66 3.319 -0.055 -8.710 485 HA PHE 66 HA PHE 66 3.172 0.581 -5.832 486 HB2 PHE 66 2HB PHE 66 4.228 -1.799 -7.379 487 HB3 PHE 66 1HB PHE 66 4.311 -1.669 -5.624 488 HD1 PHE 66 1HD PHE 66 2.143 -2.235 -8.507 489 HD2 PHE 66 2HD PHE 66 2.227 -1.539 -4.270 490 HE1 PHE 66 1HE PHE 66 -0.213 -2.991 -8.335 491 HE2 PHE 66 2HE PHE 66 -0.128 -2.295 -4.098 492 HZ PHE 66 HZ PHE 66 -1.349 -3.018 -6.131 493 H ARG 67 H ARG 67 5.019 1.786 -8.141 494 HA ARG 67 HA ARG 67 7.708 1.266 -7.453 495 HB2 ARG 67 2HB ARG 67 7.025 2.568 -9.442 496 HB3 ARG 67 1HB ARG 67 6.486 3.878 -8.399 497 HG2 ARG 67 2HG ARG 67 8.648 4.528 -9.130 498 HG3 ARG 67 1HG ARG 67 8.893 3.924 -7.497 499 HD2 ARG 67 2HD ARG 67 9.676 1.784 -8.348 500 HD3 ARG 67 1HD ARG 67 9.294 2.264 -10.000 501 HE ARG 67 HE ARG 67 11.171 4.056 -8.650 502 HH11 ARG 67 1HH1 ARG 67 13.254 4.089 -9.525 503 HH12 ARG 67 2HH1 ARG 67 13.731 2.851 -10.637 504 HH21 ARG 67 1HH2 ARG 67 10.682 1.204 -10.524 505 HH22 ARG 67 2HH2 ARG 67 12.276 1.217 -11.203 506 H SER 68 H SER 68 5.408 3.587 -6.015 507 HA SER 68 HA SER 68 7.192 3.697 -3.643 508 HB2 SER 68 2HB SER 68 7.166 6.115 -3.554 509 HB3 SER 68 1HB SER 68 7.753 5.635 -5.144 510 HG SER 68 HG SER 68 6.117 7.283 -5.190 511 H ILE 69 H ILE 69 6.083 4.345 -1.704 512 HA ILE 69 HA ILE 69 3.359 3.486 -1.532 513 HB ILE 69 HB ILE 69 5.016 5.123 0.408 514 HG12 ILE 69 2HG1 ILE 69 4.495 2.149 0.340 515 HG13 ILE 69 1HG1 ILE 69 5.964 2.899 -0.267 516 HG21 ILE 69 1HG2 ILE 69 3.142 3.412 1.663 517 HG22 ILE 69 2HG2 ILE 69 2.275 4.321 0.426 518 HG23 ILE 69 3HG2 ILE 69 3.177 5.173 1.680 519 HD11 ILE 69 1HD1 ILE 69 5.419 3.926 2.354 520 HD12 ILE 69 2HD1 ILE 69 6.813 2.991 1.813 521 HD13 ILE 69 3HD1 ILE 69 5.376 2.163 2.411 522 H ARG 70 H ARG 70 4.870 6.685 -1.744 523 HA ARG 70 HA ARG 70 2.585 8.261 -1.132 524 HB2 ARG 70 2HB ARG 70 4.935 9.103 -1.365 525 HB3 ARG 70 1HB ARG 70 4.778 8.930 -3.113 526 HG2 ARG 70 2HG ARG 70 2.752 10.436 -2.991 527 HG3 ARG 70 1HG ARG 70 3.156 10.734 -1.299 528 HD2 ARG 70 2HD ARG 70 4.848 11.373 -3.727 529 HD3 ARG 70 1HD ARG 70 4.146 12.514 -2.580 530 HE ARG 70 HE ARG 70 6.014 10.553 -1.433 531 HH11 ARG 70 1HH1 ARG 70 7.833 11.470 -0.454 532 HH12 ARG 70 2HH1 ARG 70 8.180 13.148 -0.703 533 HH21 ARG 70 1HH2 ARG 70 5.434 13.690 -2.747 534 HH22 ARG 70 2HH2 ARG 70 6.823 14.404 -2.001 535 H SER 71 H SER 71 3.722 6.985 -4.261 536 HA SER 71 HA SER 71 1.790 8.245 -5.901 537 HB2 SER 71 2HB SER 71 2.959 5.474 -6.266 538 HB3 SER 71 1HB SER 71 2.270 6.496 -7.522 539 HG SER 71 HG SER 71 3.936 8.063 -6.821 540 H ILE 72 H ILE 72 1.604 5.195 -4.078 541 HA ILE 72 HA ILE 72 -0.912 4.334 -5.069 542 HB ILE 72 HB ILE 72 0.292 3.913 -2.318 543 HG12 ILE 72 2HG1 ILE 72 0.482 2.203 -4.819 544 HG13 ILE 72 1HG1 ILE 72 1.769 3.261 -4.240 545 HG21 ILE 72 1HG2 ILE 72 -2.215 3.177 -3.428 546 HG22 ILE 72 2HG2 ILE 72 -1.521 2.661 -1.892 547 HG23 ILE 72 3HG2 ILE 72 -1.233 1.716 -3.352 548 HD11 ILE 72 1HD1 ILE 72 2.446 1.698 -2.773 549 HD12 ILE 72 2HD1 ILE 72 1.242 0.594 -3.440 550 HD13 ILE 72 3HD1 ILE 72 0.833 1.622 -2.066 551 H ASP 73 H ASP 73 -0.061 6.459 -2.355 552 HA ASP 73 HA ASP 73 -2.665 6.761 -1.267 553 HB2 ASP 73 2HB ASP 73 -0.494 7.580 -0.257 554 HB3 ASP 73 1HB ASP 73 -0.549 8.921 -1.399 555 H ALA 74 H ALA 74 -1.073 8.441 -3.963 556 HA ALA 74 HA ALA 74 -3.079 10.448 -4.311 557 HB1 ALA 74 1HB ALA 74 -1.843 9.513 -6.800 558 HB2 ALA 74 2HB ALA 74 -0.669 9.834 -5.524 559 HB3 ALA 74 3HB ALA 74 -1.776 11.105 -6.043 560 H PHE 75 H PHE 75 -2.711 7.233 -5.831 561 HA PHE 75 HA PHE 75 -5.127 7.486 -7.388 562 HB2 PHE 75 2HB PHE 75 -3.416 5.150 -6.547 563 HB3 PHE 75 1HB PHE 75 -4.923 4.907 -7.426 564 HD1 PHE 75 1HD PHE 75 -5.202 5.734 -9.721 565 HD2 PHE 75 2HD PHE 75 -1.495 6.219 -7.609 566 HE1 PHE 75 1HE PHE 75 -4.062 6.298 -11.850 567 HE2 PHE 75 2HE PHE 75 -0.355 6.784 -9.737 568 HZ PHE 75 HZ PHE 75 -1.639 6.822 -11.858 569 H VAL 76 H VAL 76 -4.402 6.095 -4.199 570 HA VAL 76 HA VAL 76 -7.015 5.032 -3.723 571 HB VAL 76 HB VAL 76 -4.818 5.961 -1.857 572 HG11 VAL 76 1HG1 VAL 76 -6.840 6.114 -0.599 573 HG12 VAL 76 2HG1 VAL 76 -6.117 4.565 -0.171 574 HG13 VAL 76 3HG1 VAL 76 -7.470 4.625 -1.301 575 HG21 VAL 76 1HG2 VAL 76 -4.996 3.749 -3.515 576 HG22 VAL 76 2HG2 VAL 76 -5.584 3.128 -1.972 577 HG23 VAL 76 3HG2 VAL 76 -3.983 3.862 -2.075 578 H VAL 77 H VAL 77 -5.532 8.197 -2.991 579 HA VAL 77 HA VAL 77 -7.750 9.262 -1.543 580 HB VAL 77 HB VAL 77 -5.574 10.584 -3.183 581 HG11 VAL 77 1HG1 VAL 77 -6.320 12.574 -1.648 582 HG12 VAL 77 2HG1 VAL 77 -7.853 11.706 -1.588 583 HG13 VAL 77 3HG1 VAL 77 -7.206 12.246 -3.136 584 HG21 VAL 77 1HG2 VAL 77 -5.385 9.241 -0.814 585 HG22 VAL 77 2HG2 VAL 77 -5.748 10.869 -0.239 586 HG23 VAL 77 3HG2 VAL 77 -4.337 10.588 -1.260 587 H GLY 78 H GLY 78 -6.923 9.299 -4.995 588 HA2 GLY 78 2HA GLY 78 -8.997 11.026 -5.873 589 HA3 GLY 78 1HA GLY 78 -8.226 9.797 -6.872 590 H ALA 79 H ALA 79 -9.084 7.585 -5.057 591 HA ALA 79 HA ALA 79 -11.892 7.462 -6.030 592 HB1 ALA 79 1HB ALA 79 -11.662 5.014 -5.705 593 HB2 ALA 79 2HB ALA 79 -10.017 5.266 -5.120 594 HB3 ALA 79 3HB ALA 79 -10.428 5.656 -6.790 595 H THR 80 H THR 80 -9.980 6.652 -3.123 596 HA THR 80 HA THR 80 -12.458 7.145 -1.524 597 HB THR 80 HB THR 80 -12.042 5.236 -0.155 598 HG1 THR 80 1HG THR 80 -9.595 5.692 -0.616 599 HG21 THR 80 1HG2 THR 80 -13.087 4.665 -2.285 600 HG22 THR 80 2HG2 THR 80 -11.989 3.372 -1.806 601 HG23 THR 80 3HG2 THR 80 -11.506 4.524 -3.052 602 H THR 81 H THR 81 -12.036 7.922 0.642 603 HA THR 81 HA THR 81 -9.229 8.724 1.188 604 HB THR 81 HB THR 81 -10.362 10.625 0.058 605 HG1 THR 81 1HG THR 81 -10.127 12.065 2.008 606 HG21 THR 81 1HG2 THR 81 -12.098 11.164 2.384 607 HG22 THR 81 2HG2 THR 81 -12.594 9.789 1.397 608 HG23 THR 81 3HG2 THR 81 -12.418 11.383 0.664 609 HA PRO 82 HA PRO 82 -11.276 7.183 5.001 610 HB2 PRO 82 2HB PRO 82 -9.327 5.470 5.765 611 HB3 PRO 82 1HB PRO 82 -10.514 5.049 4.515 612 HG2 PRO 82 2HG PRO 82 -7.672 5.826 4.238 613 HG3 PRO 82 1HG PRO 82 -8.649 4.728 3.252 614 HD2 PRO 82 2HD PRO 82 -8.015 7.404 2.614 615 HD3 PRO 82 1HD PRO 82 -9.246 6.400 1.818 616 HA PRO 83 HA PRO 83 -9.273 9.793 7.954 617 HB2 PRO 83 2HB PRO 83 -9.340 8.159 10.217 618 HB3 PRO 83 1HB PRO 83 -10.670 9.188 9.657 619 HG2 PRO 83 2HG PRO 83 -10.262 6.271 9.319 620 HG3 PRO 83 1HG PRO 83 -11.761 7.189 9.541 621 HD2 PRO 83 2HD PRO 83 -11.013 6.202 7.120 622 HD3 PRO 83 1HD PRO 83 -11.936 7.713 7.287 623 H VAL 84 H VAL 84 -7.211 10.140 8.915 624 HA VAL 84 HA VAL 84 -5.321 7.824 8.814 625 HB VAL 84 HB VAL 84 -5.000 9.311 6.844 626 HG11 VAL 84 1HG1 VAL 84 -5.791 11.391 7.995 627 HG12 VAL 84 2HG1 VAL 84 -4.243 11.604 7.176 628 HG13 VAL 84 3HG1 VAL 84 -4.295 11.401 8.926 629 HG21 VAL 84 1HG2 VAL 84 -2.628 9.928 8.521 630 HG22 VAL 84 2HG2 VAL 84 -2.722 9.097 6.968 631 HG23 VAL 84 3HG2 VAL 84 -3.098 8.229 8.457 632 H GLU 85 H GLU 85 -3.861 7.724 10.497 633 HA GLU 85 HA GLU 85 -4.119 9.829 12.598 634 HB2 GLU 85 2HB GLU 85 -3.348 6.908 12.883 635 HB3 GLU 85 1HB GLU 85 -3.471 8.068 14.205 636 HG2 GLU 85 2HG GLU 85 -5.869 8.420 13.638 637 HG3 GLU 85 1HG GLU 85 -5.731 7.185 12.386 638 H ALA 86 H ALA 86 -2.079 10.263 13.818 639 HA ALA 86 HA ALA 86 0.107 10.838 12.132 640 HB1 ALA 86 1HB ALA 86 -0.032 11.929 14.272 641 HB2 ALA 86 2HB ALA 86 1.440 10.958 14.295 642 HB3 ALA 86 3HB ALA 86 -0.006 10.386 15.126 643 H LYS 87 H LYS 87 1.844 9.641 11.419 644 HA LYS 87 HA LYS 87 1.745 6.798 11.472 645 HB2 LYS 87 2HB LYS 87 2.992 8.208 9.790 646 HB3 LYS 87 1HB LYS 87 4.222 8.486 11.023 647 HG2 LYS 87 2HG LYS 87 4.569 6.042 11.217 648 HG3 LYS 87 1HG LYS 87 3.365 5.779 9.956 649 HD2 LYS 87 2HD LYS 87 4.772 7.223 8.432 650 HD3 LYS 87 1HD LYS 87 6.017 7.215 9.680 651 HE2 LYS 87 2HE LYS 87 5.197 5.064 7.827 652 HE3 LYS 87 1HE LYS 87 6.753 5.344 8.607 653 HZ1 LYS 87 1HZ LYS 87 4.340 4.090 9.785 654 HZ2 LYS 87 2HZ LYS 87 5.678 4.580 10.712 655 HZ3 LYS 87 3HZ LYS 87 5.857 3.377 9.526 656 H LEU 88 H LEU 88 3.405 9.119 13.556 657 HA LEU 88 HA LEU 88 4.803 6.985 15.018 658 HB2 LEU 88 2HB LEU 88 4.528 9.927 15.706 659 HB3 LEU 88 1HB LEU 88 5.695 8.792 16.386 660 HG LEU 88 HG LEU 88 5.530 9.675 13.490 661 HD11 LEU 88 1HD1 LEU 88 6.728 10.900 15.688 662 HD12 LEU 88 2HD1 LEU 88 7.129 11.189 13.995 663 HD13 LEU 88 3HD1 LEU 88 8.049 10.009 14.931 664 HD21 LEU 88 1HD2 LEU 88 7.822 8.344 13.571 665 HD22 LEU 88 2HD2 LEU 88 6.304 7.491 13.292 666 HD23 LEU 88 3HD2 LEU 88 7.032 7.494 14.898 667 H GLN 89 H GLN 89 4.227 6.235 17.072 668 HA GLN 89 HA GLN 89 1.432 6.792 17.874 669 HB2 GLN 89 2HB GLN 89 3.442 4.749 18.872 670 HB3 GLN 89 1HB GLN 89 1.768 4.867 19.417 671 HG2 GLN 89 2HG GLN 89 1.019 4.541 17.057 672 HG3 GLN 89 1HG GLN 89 2.703 4.300 16.590 673 HE21 GLN 89 1HE2 GLN 89 2.539 3.057 19.652 674 HE22 GLN 89 2HE2 GLN 89 2.175 1.440 19.289 675 H1 PN7 101 3HO SAT 101 2.966 -5.673 -13.028 676 H2 PN7 101 1H1 SAT 101 1.467 -8.394 -10.055 677 H3 PN7 101 2H1 SAT 101 2.334 -9.463 -11.154 678 H5 PN7 101 1HE1 SAT 101 4.950 -7.587 -10.904 679 H6 PN7 101 2HE1 SAT 101 4.613 -6.759 -12.424 680 H7 PN7 101 3HE1 SAT 101 4.424 -8.508 -12.313 681 H8 PN7 101 2HE2 SAT 101 3.703 -5.813 -10.163 682 H9 PN7 101 3HE2 SAT 101 2.059 -6.253 -9.711 683 H10 PN7 101 1HE2 SAT 101 2.350 -5.307 -11.170 684 H11 PN7 101 3H SAT 101 1.897 -8.278 -13.057 685 H12 PN7 101 5H SAT 101 0.222 -4.916 -12.762 686 H13 PN7 101 1H6 SAT 101 -1.240 -7.212 -13.935 687 H14 PN7 101 2H6 SAT 101 -1.644 -5.511 -14.164 688 H15 PN7 101 1H7 SAT 101 1.008 -6.224 -15.204 689 H16 PN7 101 2H7 SAT 101 -0.298 -5.323 -15.978 690 H17 PN7 101 9H SAT 101 0.116 -9.166 -15.391 691 H18 PN7 101 1H10 SAT 101 1.155 -9.577 -17.717 692 H19 PN7 101 2H10 SAT 101 1.658 -7.890 -17.609 693 H20 PN7 101 1H11 SAT 101 2.958 -10.218 -16.533 694 H21 PN7 101 2H11 SAT 101 2.488 -9.158 -15.205 695 H22 PN7 101 2HS1 SAT 101 4.464 -7.810 -15.845 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -1.985 13.658 -0.210 2 H2 MET 1 2HT MET 1 -0.457 14.318 -0.551 3 H3 MET 1 3HT MET 1 -1.440 15.019 0.644 4 HA MET 1 HA MET 1 -0.567 12.212 0.878 5 HB2 MET 1 2HB MET 1 0.949 14.692 1.743 6 HB3 MET 1 1HB MET 1 1.343 13.048 2.243 7 HG2 MET 1 2HG MET 1 1.574 12.437 -0.184 8 HG3 MET 1 1HG MET 1 1.366 14.141 -0.581 9 HE1 MET 1 1HE MET 1 3.201 11.421 1.044 10 HE2 MET 1 2HE MET 1 3.520 12.394 2.478 11 HE3 MET 1 3HE MET 1 4.841 11.986 1.387 12 H GLN 2 H GLN 2 -3.058 13.218 1.588 13 HA GLN 2 HA GLN 2 -3.236 14.370 4.183 14 HB2 GLN 2 2HB GLN 2 -5.120 12.429 2.807 15 HB3 GLN 2 1HB GLN 2 -5.520 13.386 4.234 16 HG2 GLN 2 2HG GLN 2 -5.101 15.461 2.969 17 HG3 GLN 2 1HG GLN 2 -4.696 14.509 1.540 18 HE21 GLN 2 1HE2 GLN 2 -6.847 16.319 1.376 19 HE22 GLN 2 2HE2 GLN 2 -8.306 15.457 1.293 20 H HIS 3 H HIS 3 -2.882 10.999 3.144 21 HA HIS 3 HA HIS 3 -2.094 10.312 5.921 22 HB2 HIS 3 2HB HIS 3 -4.131 8.712 4.342 23 HB3 HIS 3 1HB HIS 3 -3.534 8.340 5.960 24 HD1 HIS 3 1HD HIS 3 -3.955 10.419 7.760 25 HD2 HIS 3 2HD HIS 3 -6.415 10.271 4.395 26 HE1 HIS 3 1HE HIS 3 -5.981 11.848 8.287 27 HE2 HIS 3 2HE HIS 3 -7.484 11.764 6.246 28 H ALA 4 H ALA 4 -0.589 10.644 3.452 29 HA ALA 4 HA ALA 4 -0.026 8.185 2.146 30 HB1 ALA 4 1HB ALA 4 2.283 9.976 2.607 31 HB2 ALA 4 2HB ALA 4 0.875 10.747 1.880 32 HB3 ALA 4 3HB ALA 4 1.623 9.358 1.093 33 H SER 5 H SER 5 1.104 9.490 5.222 34 HA SER 5 HA SER 5 3.292 7.743 5.660 35 HB2 SER 5 2HB SER 5 1.355 8.791 7.741 36 HB3 SER 5 1HB SER 5 2.995 8.218 8.035 37 HG SER 5 HG SER 5 2.203 10.444 6.453 38 H VAL 6 H VAL 6 -0.184 7.243 6.182 39 HA VAL 6 HA VAL 6 0.061 4.740 7.558 40 HB VAL 6 HB VAL 6 -2.144 5.862 5.824 41 HG11 VAL 6 1HG1 VAL 6 -3.532 4.057 6.970 42 HG12 VAL 6 2HG1 VAL 6 -2.007 3.315 7.455 43 HG13 VAL 6 3HG1 VAL 6 -2.404 3.476 5.744 44 HG21 VAL 6 1HG2 VAL 6 -3.240 6.275 7.972 45 HG22 VAL 6 2HG2 VAL 6 -1.644 7.025 7.974 46 HG23 VAL 6 3HG2 VAL 6 -1.904 5.503 8.826 47 H ILE 7 H ILE 7 -0.174 5.571 4.124 48 HA ILE 7 HA ILE 7 -0.338 2.920 3.110 49 HB ILE 7 HB ILE 7 1.002 5.341 1.869 50 HG12 ILE 7 2HG1 ILE 7 -1.835 4.295 1.596 51 HG13 ILE 7 1HG1 ILE 7 -1.373 5.676 2.590 52 HG21 ILE 7 1HG2 ILE 7 -0.178 2.851 0.592 53 HG22 ILE 7 2HG2 ILE 7 1.548 3.156 0.788 54 HG23 ILE 7 3HG2 ILE 7 0.581 4.198 -0.256 55 HD11 ILE 7 1HD1 ILE 7 -1.952 5.641 -0.196 56 HD12 ILE 7 2HD1 ILE 7 -0.240 6.026 -0.014 57 HD13 ILE 7 3HD1 ILE 7 -1.458 7.016 0.793 58 H ALA 8 H ALA 8 2.518 4.976 3.725 59 HA ALA 8 HA ALA 8 4.453 3.004 2.954 60 HB1 ALA 8 1HB ALA 8 6.066 4.431 3.921 61 HB2 ALA 8 2HB ALA 8 4.934 5.034 5.131 62 HB3 ALA 8 3HB ALA 8 4.779 5.541 3.449 63 H GLN 9 H GLN 9 2.947 3.825 6.046 64 HA GLN 9 HA GLN 9 4.356 1.877 7.615 65 HB2 GLN 9 2HB GLN 9 3.088 3.788 8.586 66 HB3 GLN 9 1HB GLN 9 1.585 3.045 8.038 67 HG2 GLN 9 2HG GLN 9 2.932 1.011 9.421 68 HG3 GLN 9 1HG GLN 9 3.157 2.457 10.405 69 HE21 GLN 9 1HE2 GLN 9 0.438 1.134 8.417 70 HE22 GLN 9 2HE2 GLN 9 -0.735 1.344 9.627 71 H PHE 10 H PHE 10 1.375 1.809 5.732 72 HA PHE 10 HA PHE 10 0.382 -0.715 6.574 73 HB2 PHE 10 2HB PHE 10 -0.754 1.064 5.127 74 HB3 PHE 10 1HB PHE 10 0.166 0.411 3.775 75 HD1 PHE 10 1HD PHE 10 -2.591 -0.141 6.108 76 HD2 PHE 10 2HD PHE 10 -0.242 -1.899 2.972 77 HE1 PHE 10 1HE PHE 10 -4.310 -1.902 5.810 78 HE2 PHE 10 2HE PHE 10 -1.961 -3.664 2.677 79 HZ PHE 10 HZ PHE 10 -3.996 -3.658 4.094 80 H VAL 11 H VAL 11 2.386 0.063 3.714 81 HA VAL 11 HA VAL 11 2.814 -2.740 3.094 82 HB VAL 11 HB VAL 11 2.943 -0.720 1.486 83 HG11 VAL 11 1HG1 VAL 11 4.612 0.468 3.006 84 HG12 VAL 11 2HG1 VAL 11 5.041 0.406 1.297 85 HG13 VAL 11 3HG1 VAL 11 5.810 -0.695 2.439 86 HG21 VAL 11 1HG2 VAL 11 5.166 -1.941 0.483 87 HG22 VAL 11 2HG2 VAL 11 3.537 -2.602 0.342 88 HG23 VAL 11 3HG2 VAL 11 4.607 -3.160 1.627 89 H VAL 12 H VAL 12 4.744 -0.223 4.690 90 HA VAL 12 HA VAL 12 7.104 -1.793 5.047 91 HB VAL 12 HB VAL 12 6.061 0.511 6.701 92 HG11 VAL 12 1HG1 VAL 12 8.435 0.785 7.354 93 HG12 VAL 12 2HG1 VAL 12 8.839 -0.680 6.460 94 HG13 VAL 12 3HG1 VAL 12 7.798 -0.772 7.877 95 HG21 VAL 12 1HG2 VAL 12 6.617 0.640 4.088 96 HG22 VAL 12 2HG2 VAL 12 8.265 0.752 4.700 97 HG23 VAL 12 3HG2 VAL 12 7.059 1.943 5.188 98 H GLU 13 H GLU 13 4.186 -1.471 7.027 99 HA GLU 13 HA GLU 13 5.131 -2.667 9.401 100 HB2 GLU 13 2HB GLU 13 2.895 -1.629 9.176 101 HB3 GLU 13 1HB GLU 13 2.383 -3.000 8.203 102 HG2 GLU 13 2HG GLU 13 2.914 -4.513 10.104 103 HG3 GLU 13 1HG GLU 13 3.321 -3.099 11.072 104 H GLU 14 H GLU 14 4.040 -4.203 6.409 105 HA GLU 14 HA GLU 14 4.003 -6.876 7.457 106 HB2 GLU 14 2HB GLU 14 4.384 -5.821 4.650 107 HB3 GLU 14 1HB GLU 14 4.224 -7.535 5.024 108 HG2 GLU 14 2HG GLU 14 2.187 -5.398 5.720 109 HG3 GLU 14 1HG GLU 14 2.056 -6.516 4.363 110 H PHE 15 H PHE 15 6.591 -4.838 6.196 111 HA PHE 15 HA PHE 15 8.516 -6.979 6.999 112 HB2 PHE 15 2HB PHE 15 9.270 -5.262 4.692 113 HB3 PHE 15 1HB PHE 15 9.638 -6.959 4.999 114 HD1 PHE 15 1HD PHE 15 8.064 -8.726 4.390 115 HD2 PHE 15 2HD PHE 15 7.159 -4.591 3.670 116 HE1 PHE 15 1HE PHE 15 6.196 -9.394 2.901 117 HE2 PHE 15 2HE PHE 15 5.290 -5.255 2.189 118 HZ PHE 15 HZ PHE 15 4.809 -7.659 1.799 119 H LEU 16 H LEU 16 7.802 -4.769 8.623 120 HA LEU 16 HA LEU 16 9.751 -2.655 8.192 121 HB2 LEU 16 2HB LEU 16 8.662 -1.498 9.825 122 HB3 LEU 16 1HB LEU 16 7.395 -2.650 9.468 123 HG LEU 16 HG LEU 16 9.427 -2.895 11.714 124 HD11 LEU 16 1HD1 LEU 16 7.976 -1.378 12.601 125 HD12 LEU 16 2HD1 LEU 16 7.006 -2.822 12.895 126 HD13 LEU 16 3HD1 LEU 16 6.678 -1.809 11.489 127 HD21 LEU 16 1HD2 LEU 16 8.702 -5.025 12.056 128 HD22 LEU 16 2HD2 LEU 16 8.069 -4.950 10.414 129 HD23 LEU 16 3HD2 LEU 16 7.021 -4.574 11.778 130 HA PRO 17 HA PRO 17 12.979 -4.789 10.444 131 HB2 PRO 17 2HB PRO 17 14.807 -2.783 10.543 132 HB3 PRO 17 1HB PRO 17 14.423 -3.620 9.027 133 HG2 PRO 17 2HG PRO 17 13.463 -0.979 10.022 134 HG3 PRO 17 1HG PRO 17 13.992 -1.446 8.398 135 HD2 PRO 17 2HD PRO 17 11.352 -1.263 9.130 136 HD3 PRO 17 1HD PRO 17 11.949 -2.335 7.845 137 H ASP 18 H ASP 18 14.667 -3.127 12.242 138 HA ASP 18 HA ASP 18 12.888 -3.122 14.555 139 HB2 ASP 18 2HB ASP 18 14.905 -2.539 15.811 140 HB3 ASP 18 1HB ASP 18 15.266 -3.859 14.704 141 H VAL 19 H VAL 19 12.964 -1.095 12.115 142 HA VAL 19 HA VAL 19 12.881 1.390 13.782 143 HB VAL 19 HB VAL 19 13.210 1.157 10.778 144 HG11 VAL 19 1HG1 VAL 19 13.199 3.412 12.767 145 HG12 VAL 19 2HG1 VAL 19 12.409 3.313 11.193 146 HG13 VAL 19 3HG1 VAL 19 14.154 3.553 11.290 147 HG21 VAL 19 1HG2 VAL 19 15.190 1.240 13.041 148 HG22 VAL 19 2HG2 VAL 19 15.602 1.991 11.500 149 HG23 VAL 19 3HG2 VAL 19 15.225 0.270 11.569 150 H ALA 20 H ALA 20 10.959 2.527 13.841 151 HA ALA 20 HA ALA 20 8.578 1.263 12.774 152 HB1 ALA 20 1HB ALA 20 7.769 3.773 13.530 153 HB2 ALA 20 2HB ALA 20 9.213 3.551 14.517 154 HB3 ALA 20 3HB ALA 20 7.886 2.393 14.622 155 HA PRO 21 HA PRO 21 8.577 3.036 8.661 156 HB2 PRO 21 2HB PRO 21 5.700 3.628 9.173 157 HB3 PRO 21 1HB PRO 21 6.452 2.770 7.817 158 HG2 PRO 21 2HG PRO 21 5.136 1.498 9.779 159 HG3 PRO 21 1HG PRO 21 6.515 0.786 8.930 160 HD2 PRO 21 2HD PRO 21 6.360 1.806 11.705 161 HD3 PRO 21 1HD PRO 21 7.482 0.633 10.982 162 H ALA 22 H ALA 22 7.123 4.764 11.367 163 HA ALA 22 HA ALA 22 6.904 7.329 10.089 164 HB1 ALA 22 1HB ALA 22 7.107 6.445 12.970 165 HB2 ALA 22 2HB ALA 22 5.696 7.068 12.116 166 HB3 ALA 22 3HB ALA 22 7.022 8.151 12.534 167 H ASP 23 H ASP 23 9.570 5.528 11.327 168 HA ASP 23 HA ASP 23 11.313 7.946 11.301 169 HB2 ASP 23 2HB ASP 23 11.762 5.149 12.388 170 HB3 ASP 23 1HB ASP 23 12.991 6.415 12.380 171 H VAL 24 H VAL 24 10.220 5.728 9.199 172 HA VAL 24 HA VAL 24 12.841 5.366 7.821 173 HB VAL 24 HB VAL 24 10.169 4.029 7.276 174 HG11 VAL 24 1HG1 VAL 24 11.130 3.267 5.389 175 HG12 VAL 24 2HG1 VAL 24 12.473 2.607 6.323 176 HG13 VAL 24 3HG1 VAL 24 12.546 4.264 5.725 177 HG21 VAL 24 1HG2 VAL 24 10.967 3.258 9.406 178 HG22 VAL 24 2HG2 VAL 24 12.625 3.145 8.815 179 HG23 VAL 24 3HG2 VAL 24 11.401 2.015 8.233 180 H ASP 25 H ASP 25 13.149 6.326 5.809 181 HA ASP 25 HA ASP 25 11.437 8.540 5.130 182 HB2 ASP 25 2HB ASP 25 13.893 8.408 4.607 183 HB3 ASP 25 1HB ASP 25 13.518 7.201 3.377 184 H VAL 26 H VAL 26 9.364 7.997 4.552 185 HA VAL 26 HA VAL 26 8.577 5.677 3.103 186 HB VAL 26 HB VAL 26 6.470 6.871 2.694 187 HG11 VAL 26 1HG1 VAL 26 5.845 7.127 4.950 188 HG12 VAL 26 2HG1 VAL 26 7.424 7.764 5.410 189 HG13 VAL 26 3HG1 VAL 26 7.238 6.049 5.041 190 HG21 VAL 26 1HG2 VAL 26 7.338 9.039 2.026 191 HG22 VAL 26 2HG2 VAL 26 8.066 9.282 3.614 192 HG23 VAL 26 3HG2 VAL 26 6.311 9.268 3.440 193 H ASP 27 H ASP 27 10.660 7.898 1.980 194 HA ASP 27 HA ASP 27 9.528 8.155 -0.738 195 HB2 ASP 27 2HB ASP 27 12.149 9.101 0.467 196 HB3 ASP 27 1HB ASP 27 11.649 9.411 -1.196 197 H LEU 28 H LEU 28 10.741 5.669 0.825 198 HA LEU 28 HA LEU 28 12.822 4.808 -1.074 199 HB2 LEU 28 2HB LEU 28 12.917 4.248 1.371 200 HB3 LEU 28 1HB LEU 28 11.480 3.252 1.157 201 HG LEU 28 HG LEU 28 12.958 2.193 -0.802 202 HD11 LEU 28 1HD1 LEU 28 14.817 3.827 -0.346 203 HD12 LEU 28 2HD1 LEU 28 15.309 2.136 -0.251 204 HD13 LEU 28 3HD1 LEU 28 15.032 3.058 1.227 205 HD21 LEU 28 1HD2 LEU 28 12.184 0.714 0.830 206 HD22 LEU 28 2HD2 LEU 28 12.899 1.641 2.150 207 HD23 LEU 28 3HD2 LEU 28 13.925 0.655 1.109 208 H ASP 29 H ASP 29 12.453 3.475 -2.800 209 HA ASP 29 HA ASP 29 9.749 2.950 -3.644 210 HB2 ASP 29 2HB ASP 29 12.413 1.838 -4.584 211 HB3 ASP 29 1HB ASP 29 10.879 1.518 -5.392 212 H LEU 30 H LEU 30 8.457 1.351 -2.836 213 HA LEU 30 HA LEU 30 9.541 -0.653 -1.049 214 HB2 LEU 30 2HB LEU 30 7.241 -1.493 -0.911 215 HB3 LEU 30 1HB LEU 30 7.243 0.265 -0.788 216 HG LEU 30 HG LEU 30 7.093 -0.367 -3.555 217 HD11 LEU 30 1HD1 LEU 30 6.306 -2.589 -3.017 218 HD12 LEU 30 2HD1 LEU 30 4.908 -1.634 -3.511 219 HD13 LEU 30 3HD1 LEU 30 5.196 -1.955 -1.803 220 HD21 LEU 30 1HD2 LEU 30 4.866 0.742 -3.309 221 HD22 LEU 30 2HD2 LEU 30 6.160 1.632 -2.509 222 HD23 LEU 30 3HD2 LEU 30 5.047 0.649 -1.558 223 H VAL 31 H VAL 31 10.015 -0.466 -4.202 224 HA VAL 31 HA VAL 31 9.101 -2.839 -5.403 225 HB VAL 31 HB VAL 31 10.509 -0.946 -6.442 226 HG11 VAL 31 1HG1 VAL 31 12.341 -1.283 -4.683 227 HG12 VAL 31 2HG1 VAL 31 12.886 -1.143 -6.354 228 HG13 VAL 31 3HG1 VAL 31 12.798 -2.728 -5.585 229 HG21 VAL 31 1HG2 VAL 31 10.156 -2.509 -8.064 230 HG22 VAL 31 2HG2 VAL 31 10.546 -3.851 -6.988 231 HG23 VAL 31 3HG2 VAL 31 11.840 -2.941 -7.767 232 H ASP 32 H ASP 32 11.858 -2.328 -3.236 233 HA ASP 32 HA ASP 32 12.969 -4.946 -3.384 234 HB2 ASP 32 2HB ASP 32 12.810 -3.015 -1.045 235 HB3 ASP 32 1HB ASP 32 13.797 -4.476 -1.054 236 H ASN 33 H ASN 33 10.262 -3.600 -1.604 237 HA ASN 33 HA ASN 33 9.684 -6.126 -0.226 238 HB2 ASN 33 2HB ASN 33 8.055 -3.583 -0.420 239 HB3 ASN 33 1HB ASN 33 7.764 -4.912 0.696 240 HD21 ASN 33 1HD2 ASN 33 9.511 -1.981 0.261 241 HD22 ASN 33 2HD2 ASN 33 10.508 -2.111 1.629 242 H GLY 34 H GLY 34 9.603 -5.509 -3.289 243 HA2 GLY 34 2HA GLY 34 7.097 -5.597 -4.417 244 HA3 GLY 34 1HA GLY 34 8.434 -6.558 -5.048 245 H VAL 35 H VAL 35 8.365 -7.886 -2.201 246 HA VAL 35 HA VAL 35 7.076 -10.279 -2.934 247 HB VAL 35 HB VAL 35 7.475 -9.048 -0.189 248 HG11 VAL 35 1HG1 VAL 35 7.300 -11.791 0.133 249 HG12 VAL 35 2HG1 VAL 35 6.024 -11.451 -1.036 250 HG13 VAL 35 3HG1 VAL 35 6.029 -10.634 0.528 251 HG21 VAL 35 1HG2 VAL 35 9.320 -10.020 -1.978 252 HG22 VAL 35 2HG2 VAL 35 8.957 -11.458 -1.022 253 HG23 VAL 35 3HG2 VAL 35 9.544 -9.995 -0.229 254 H ILE 36 H ILE 36 5.783 -7.374 -1.393 255 HA ILE 36 HA ILE 36 3.139 -8.435 -0.911 256 HB ILE 36 HB ILE 36 4.339 -6.290 0.038 257 HG12 ILE 36 2HG1 ILE 36 1.412 -6.409 -0.743 258 HG13 ILE 36 1HG1 ILE 36 2.133 -6.999 0.752 259 HG21 ILE 36 1HG2 ILE 36 4.470 -5.416 -2.407 260 HG22 ILE 36 2HG2 ILE 36 3.977 -4.284 -1.146 261 HG23 ILE 36 3HG2 ILE 36 2.764 -5.019 -2.196 262 HD11 ILE 36 1HD1 ILE 36 1.162 -4.860 1.257 263 HD12 ILE 36 2HD1 ILE 36 1.908 -4.125 -0.163 264 HD13 ILE 36 3HD1 ILE 36 2.909 -4.629 1.198 265 H ASP 37 H ASP 37 4.730 -7.054 -3.679 266 HA ASP 37 HA ASP 37 2.476 -6.119 -5.119 267 HB2 ASP 37 2HB ASP 37 5.074 -7.281 -6.151 268 HB3 ASP 37 1HB ASP 37 3.887 -6.451 -7.154 269 H SER 38 H SER 38 3.709 -9.428 -4.773 270 HA SER 38 HA SER 38 1.617 -10.312 -6.702 271 HB2 SER 38 2HB SER 38 4.278 -11.321 -5.951 272 HB3 SER 38 1HB SER 38 3.045 -12.566 -6.110 273 H LEU 39 H LEU 39 3.021 -11.695 -3.711 274 HA LEU 39 HA LEU 39 0.620 -13.182 -3.174 275 HB2 LEU 39 2HB LEU 39 2.904 -13.859 -2.417 276 HB3 LEU 39 1HB LEU 39 2.860 -12.532 -1.262 277 HG LEU 39 HG LEU 39 0.498 -14.304 -1.204 278 HD11 LEU 39 1HD1 LEU 39 2.175 -16.012 -1.563 279 HD12 LEU 39 2HD1 LEU 39 1.760 -16.012 0.151 280 HD13 LEU 39 3HD1 LEU 39 3.257 -15.257 -0.394 281 HD21 LEU 39 1HD2 LEU 39 1.287 -12.347 0.380 282 HD22 LEU 39 2HD2 LEU 39 2.293 -13.601 1.102 283 HD23 LEU 39 3HD2 LEU 39 0.540 -13.784 1.075 284 H GLY 40 H GLY 40 2.063 -10.374 -1.511 285 HA2 GLY 40 2HA GLY 40 -0.153 -10.019 0.275 286 HA3 GLY 40 1HA GLY 40 1.055 -8.795 -0.096 287 H LEU 41 H LEU 41 0.585 -8.744 -2.929 288 HA LEU 41 HA LEU 41 -1.447 -6.776 -3.086 289 HB2 LEU 41 2HB LEU 41 0.382 -7.093 -4.749 290 HB3 LEU 41 1HB LEU 41 -0.428 -8.550 -5.322 291 HG LEU 41 HG LEU 41 -2.498 -6.900 -5.548 292 HD11 LEU 41 1HD1 LEU 41 -1.849 -4.643 -6.104 293 HD12 LEU 41 2HD1 LEU 41 -0.140 -5.044 -5.939 294 HD13 LEU 41 3HD1 LEU 41 -1.182 -5.018 -4.516 295 HD21 LEU 41 1HD2 LEU 41 -1.346 -8.159 -7.380 296 HD22 LEU 41 2HD2 LEU 41 -0.178 -6.843 -7.503 297 HD23 LEU 41 3HD2 LEU 41 -1.876 -6.554 -7.883 298 H LEU 42 H LEU 42 -1.543 -10.261 -3.768 299 HA LEU 42 HA LEU 42 -4.232 -10.304 -4.752 300 HB2 LEU 42 2HB LEU 42 -2.590 -12.204 -4.929 301 HB3 LEU 42 1HB LEU 42 -2.816 -12.496 -3.209 302 HG LEU 42 HG LEU 42 -5.373 -12.540 -3.856 303 HD11 LEU 42 1HD1 LEU 42 -5.663 -13.530 -6.127 304 HD12 LEU 42 2HD1 LEU 42 -3.956 -13.220 -6.445 305 HD13 LEU 42 3HD1 LEU 42 -5.062 -11.873 -6.180 306 HD21 LEU 42 1HD2 LEU 42 -4.484 -14.502 -2.926 307 HD22 LEU 42 2HD2 LEU 42 -3.277 -14.674 -4.200 308 HD23 LEU 42 3HD2 LEU 42 -4.970 -15.042 -4.532 309 H LYS 43 H LYS 43 -2.886 -10.709 -1.480 310 HA LYS 43 HA LYS 43 -5.468 -11.056 -0.225 311 HB2 LYS 43 2HB LYS 43 -2.781 -10.256 0.902 312 HB3 LYS 43 1HB LYS 43 -4.189 -10.650 1.878 313 HG2 LYS 43 2HG LYS 43 -4.273 -12.892 0.776 314 HG3 LYS 43 1HG LYS 43 -2.779 -12.492 -0.072 315 HD2 LYS 43 2HD LYS 43 -1.670 -12.134 2.138 316 HD3 LYS 43 1HD LYS 43 -3.151 -12.674 2.931 317 HE2 LYS 43 2HE LYS 43 -2.930 -14.873 2.128 318 HE3 LYS 43 1HE LYS 43 -1.827 -14.389 0.839 319 HZ1 LYS 43 1HZ LYS 43 -1.278 -14.598 3.738 320 HZ2 LYS 43 2HZ LYS 43 -0.267 -13.716 2.695 321 HZ3 LYS 43 3HZ LYS 43 -0.489 -15.384 2.458 322 H VAL 44 H VAL 44 -3.334 -8.288 -0.793 323 HA VAL 44 HA VAL 44 -4.780 -6.396 0.790 324 HB VAL 44 HB VAL 44 -3.046 -6.009 -1.663 325 HG11 VAL 44 1HG1 VAL 44 -4.681 -4.142 -0.159 326 HG12 VAL 44 2HG1 VAL 44 -3.739 -3.867 -1.622 327 HG13 VAL 44 3HG1 VAL 44 -2.975 -3.721 -0.040 328 HG21 VAL 44 1HG2 VAL 44 -1.277 -6.183 -0.265 329 HG22 VAL 44 2HG2 VAL 44 -2.401 -6.873 0.905 330 HG23 VAL 44 3HG2 VAL 44 -2.039 -5.147 0.941 331 H ILE 45 H ILE 45 -4.999 -7.207 -2.677 332 HA ILE 45 HA ILE 45 -6.994 -5.279 -3.322 333 HB ILE 45 HB ILE 45 -5.932 -7.772 -4.541 334 HG12 ILE 45 2HG1 ILE 45 -5.592 -6.321 -6.427 335 HG13 ILE 45 1HG1 ILE 45 -6.699 -5.115 -5.775 336 HG21 ILE 45 1HG2 ILE 45 -7.752 -7.570 -6.332 337 HG22 ILE 45 2HG2 ILE 45 -8.670 -6.645 -5.145 338 HG23 ILE 45 3HG2 ILE 45 -8.232 -8.320 -4.811 339 HD11 ILE 45 1HD1 ILE 45 -4.381 -5.886 -4.069 340 HD12 ILE 45 2HD1 ILE 45 -5.157 -4.316 -4.265 341 HD13 ILE 45 3HD1 ILE 45 -4.039 -4.907 -5.492 342 H ALA 46 H ALA 46 -7.264 -8.649 -2.201 343 HA ALA 46 HA ALA 46 -10.114 -8.808 -2.380 344 HB1 ALA 46 1HB ALA 46 -7.958 -10.308 -0.979 345 HB2 ALA 46 2HB ALA 46 -9.239 -10.904 -2.036 346 HB3 ALA 46 3HB ALA 46 -9.596 -10.504 -0.355 347 H TRP 47 H TRP 47 -7.968 -7.825 0.291 348 HA TRP 47 HA TRP 47 -10.190 -7.320 2.103 349 HB2 TRP 47 2HB TRP 47 -8.310 -7.707 3.357 350 HB3 TRP 47 1HB TRP 47 -7.233 -7.004 2.151 351 HD1 TRP 47 HD TRP 47 -9.566 -6.023 5.026 352 HE1 TRP 47 1HE TRP 47 -8.970 -3.630 5.780 353 HE3 TRP 47 3HE TRP 47 -6.194 -4.769 1.416 354 HZ2 TRP 47 2HZ TRP 47 -7.272 -1.473 4.964 355 HZ3 TRP 47 3HZ TRP 47 -5.099 -2.548 1.423 356 HH2 TRP 47 HH TRP 47 -5.636 -0.900 3.189 357 H LEU 48 H LEU 48 -8.046 -5.287 0.114 358 HA LEU 48 HA LEU 48 -9.070 -2.779 0.946 359 HB2 LEU 48 2HB LEU 48 -7.016 -3.141 -0.459 360 HB3 LEU 48 1HB LEU 48 -8.066 -3.504 -1.815 361 HG LEU 48 HG LEU 48 -9.149 -1.262 -1.481 362 HD11 LEU 48 1HD1 LEU 48 -7.335 -1.315 0.791 363 HD12 LEU 48 2HD1 LEU 48 -8.686 -0.233 0.469 364 HD13 LEU 48 3HD1 LEU 48 -7.094 0.123 -0.199 365 HD21 LEU 48 1HD2 LEU 48 -6.527 -0.290 -1.994 366 HD22 LEU 48 2HD2 LEU 48 -7.759 -0.739 -3.174 367 HD23 LEU 48 3HD2 LEU 48 -6.597 -1.941 -2.613 368 H GLU 49 H GLU 49 -10.141 -4.952 -1.668 369 HA GLU 49 HA GLU 49 -12.203 -3.199 -2.637 370 HB2 GLU 49 2HB GLU 49 -11.849 -4.848 -4.195 371 HB3 GLU 49 1HB GLU 49 -11.475 -6.061 -2.982 372 HG2 GLU 49 2HG GLU 49 -13.768 -6.433 -2.492 373 HG3 GLU 49 1HG GLU 49 -14.267 -4.991 -3.369 374 H ASP 50 H ASP 50 -12.157 -5.815 -0.250 375 HA ASP 50 HA ASP 50 -14.967 -5.754 0.329 376 HB2 ASP 50 2HB ASP 50 -13.349 -7.591 0.947 377 HB3 ASP 50 1HB ASP 50 -12.729 -6.522 2.204 378 H ARG 51 H ARG 51 -12.185 -4.022 1.638 379 HA ARG 51 HA ARG 51 -13.419 -2.863 3.902 380 HB2 ARG 51 2HB ARG 51 -10.958 -2.817 3.277 381 HB3 ARG 51 1HB ARG 51 -11.348 -1.494 2.176 382 HG2 ARG 51 2HG ARG 51 -12.301 -0.219 4.085 383 HG3 ARG 51 1HG ARG 51 -11.830 -1.524 5.170 384 HD2 ARG 51 2HD ARG 51 -9.463 -1.222 4.429 385 HD3 ARG 51 1HD ARG 51 -9.972 0.173 3.481 386 HE ARG 51 HE ARG 51 -9.777 0.054 6.420 387 HH11 ARG 51 1HH1 ARG 51 -10.023 2.051 7.444 388 HH12 ARG 51 2HH1 ARG 51 -10.603 3.409 6.538 389 HH21 ARG 51 1HH2 ARG 51 -10.916 1.640 3.574 390 HH22 ARG 51 2HH2 ARG 51 -11.107 3.176 4.350 391 H PHE 52 H PHE 52 -13.338 -1.672 0.519 392 HA PHE 52 HA PHE 52 -15.391 0.355 1.350 393 HB2 PHE 52 2HB PHE 52 -12.951 0.606 -0.249 394 HB3 PHE 52 1HB PHE 52 -14.377 1.254 -1.061 395 HD1 PHE 52 1HD PHE 52 -14.818 3.499 -0.685 396 HD2 PHE 52 2HD PHE 52 -12.994 1.175 2.432 397 HE1 PHE 52 1HE PHE 52 -14.752 5.505 0.773 398 HE2 PHE 52 2HE PHE 52 -12.929 3.181 3.889 399 HZ PHE 52 HZ PHE 52 -13.807 5.346 3.060 400 H GLY 53 H GLY 53 -14.979 -2.483 -0.356 401 HA2 GLY 53 2HA GLY 53 -16.528 -3.623 -1.720 402 HA3 GLY 53 1HA GLY 53 -17.601 -2.229 -1.585 403 H ILE 54 H ILE 54 -14.259 -2.362 -2.835 404 HA ILE 54 HA ILE 54 -15.272 -1.095 -5.338 405 HB ILE 54 HB ILE 54 -12.426 -1.398 -4.329 406 HG12 ILE 54 2HG1 ILE 54 -14.175 1.075 -4.330 407 HG13 ILE 54 1HG1 ILE 54 -13.996 0.025 -2.924 408 HG21 ILE 54 1HG2 ILE 54 -12.440 0.715 -6.037 409 HG22 ILE 54 2HG2 ILE 54 -13.685 -0.292 -6.778 410 HG23 ILE 54 3HG2 ILE 54 -12.059 -0.933 -6.538 411 HD11 ILE 54 1HD1 ILE 54 -11.625 0.436 -2.825 412 HD12 ILE 54 2HD1 ILE 54 -12.424 2.003 -2.951 413 HD13 ILE 54 3HD1 ILE 54 -11.655 1.288 -4.369 414 H ALA 55 H ALA 55 -14.977 -2.114 -7.338 415 HA ALA 55 HA ALA 55 -14.710 -4.956 -7.381 416 HB1 ALA 55 1HB ALA 55 -15.469 -4.654 -9.481 417 HB2 ALA 55 2HB ALA 55 -13.986 -3.810 -9.926 418 HB3 ALA 55 3HB ALA 55 -15.339 -2.911 -9.239 419 H ALA 56 H ALA 56 -12.927 -6.261 -7.647 420 HA ALA 56 HA ALA 56 -10.320 -5.214 -7.101 421 HB1 ALA 56 1HB ALA 56 -11.241 -7.880 -8.204 422 HB2 ALA 56 2HB ALA 56 -10.780 -7.507 -6.543 423 HB3 ALA 56 3HB ALA 56 -9.556 -7.529 -7.814 424 H ASP 57 H ASP 57 -12.015 -5.979 -10.097 425 HA ASP 57 HA ASP 57 -9.594 -5.357 -11.686 426 HB2 ASP 57 2HB ASP 57 -12.353 -6.306 -12.478 427 HB3 ASP 57 1HB ASP 57 -11.055 -5.981 -13.626 428 H ASP 58 H ASP 58 -11.721 -3.498 -10.142 429 HA ASP 58 HA ASP 58 -12.923 -1.783 -12.017 430 HB2 ASP 58 2HB ASP 58 -13.179 -1.668 -9.513 431 HB3 ASP 58 1HB ASP 58 -11.602 -0.887 -9.453 432 H VAL 59 H VAL 59 -9.585 -1.868 -10.864 433 HA VAL 59 HA VAL 59 -8.866 -0.032 -13.106 434 HB VAL 59 HB VAL 59 -8.845 1.193 -10.918 435 HG11 VAL 59 1HG1 VAL 59 -7.809 0.361 -9.083 436 HG12 VAL 59 2HG1 VAL 59 -6.393 -0.139 -10.007 437 HG13 VAL 59 3HG1 VAL 59 -7.815 -1.180 -9.941 438 HG21 VAL 59 1HG2 VAL 59 -7.367 1.998 -12.634 439 HG22 VAL 59 2HG2 VAL 59 -6.221 0.688 -12.348 440 HG23 VAL 59 3HG2 VAL 59 -6.427 1.958 -11.142 441 H GLU 60 H GLU 60 -6.901 -0.568 -14.134 442 HA GLU 60 HA GLU 60 -5.998 -3.312 -13.721 443 HB2 GLU 60 2HB GLU 60 -6.115 -2.263 -15.981 444 HB3 GLU 60 1HB GLU 60 -4.823 -1.165 -15.509 445 HG2 GLU 60 2HG GLU 60 -3.367 -3.110 -15.051 446 HG3 GLU 60 1HG GLU 60 -4.649 -4.178 -15.606 447 H LEU 61 H LEU 61 -4.140 -3.971 -12.690 448 HA LEU 61 HA LEU 61 -2.607 -1.853 -11.271 449 HB2 LEU 61 2HB LEU 61 -2.638 -4.834 -10.729 450 HB3 LEU 61 1HB LEU 61 -1.995 -3.570 -9.686 451 HG LEU 61 HG LEU 61 -4.886 -4.015 -10.425 452 HD11 LEU 61 1HD1 LEU 61 -3.805 -5.415 -8.602 453 HD12 LEU 61 2HD1 LEU 61 -5.201 -4.465 -8.093 454 HD13 LEU 61 3HD1 LEU 61 -3.570 -3.915 -7.705 455 HD21 LEU 61 1HD2 LEU 61 -5.147 -2.051 -8.727 456 HD22 LEU 61 2HD2 LEU 61 -4.714 -1.673 -10.395 457 HD23 LEU 61 3HD2 LEU 61 -3.472 -1.689 -9.143 458 H SER 62 H SER 62 -0.400 -1.653 -11.593 459 HA SER 62 HA SER 62 0.937 -3.682 -13.308 460 HB2 SER 62 2HB SER 62 0.256 -1.024 -14.097 461 HB3 SER 62 1HB SER 62 2.005 -1.095 -13.909 462 HG SER 62 HG SER 62 0.330 -2.746 -15.495 463 HA PRO 63 HA PRO 63 4.175 -3.477 -10.332 464 HB2 PRO 63 2HB PRO 63 6.409 -3.598 -11.976 465 HB3 PRO 63 1HB PRO 63 5.446 -4.996 -11.468 466 HG2 PRO 63 2HG PRO 63 5.418 -3.505 -14.031 467 HG3 PRO 63 1HG PRO 63 5.179 -5.232 -13.722 468 HD2 PRO 63 2HD PRO 63 3.112 -3.542 -14.271 469 HD3 PRO 63 1HD PRO 63 2.931 -4.975 -13.237 470 H GLU 64 H GLU 64 4.386 -1.247 -13.052 471 HA GLU 64 HA GLU 64 6.432 0.447 -11.983 472 HB2 GLU 64 2HB GLU 64 4.178 1.059 -13.895 473 HB3 GLU 64 1HB GLU 64 5.530 2.135 -13.578 474 HG2 GLU 64 2HG GLU 64 7.085 0.354 -14.315 475 HG3 GLU 64 1HG GLU 64 5.703 -0.664 -14.701 476 H HIS 65 H HIS 65 2.956 0.301 -11.495 477 HA HIS 65 HA HIS 65 2.682 2.863 -10.220 478 HB2 HIS 65 2HB HIS 65 0.774 1.591 -11.153 479 HB3 HIS 65 1HB HIS 65 0.984 0.374 -9.894 480 HD1 HIS 65 1HD HIS 65 0.708 4.193 -9.925 481 HD2 HIS 65 2HD HIS 65 -0.737 0.899 -7.813 482 HE1 HIS 65 1HE HIS 65 -0.822 5.110 -8.125 483 HE2 HIS 65 2HE HIS 65 -1.710 3.113 -6.836 484 H PHE 66 H PHE 66 3.732 -0.267 -9.034 485 HA PHE 66 HA PHE 66 3.464 0.645 -6.229 486 HB2 PHE 66 2HB PHE 66 4.380 -1.988 -7.413 487 HB3 PHE 66 1HB PHE 66 4.247 -1.661 -5.686 488 HD1 PHE 66 1HD PHE 66 2.436 -2.372 -8.765 489 HD2 PHE 66 2HD PHE 66 2.025 -1.163 -4.666 490 HE1 PHE 66 1HE PHE 66 0.014 -2.885 -8.858 491 HE2 PHE 66 2HE PHE 66 -0.400 -1.677 -4.757 492 HZ PHE 66 HZ PHE 66 -1.406 -2.536 -6.856 493 H ARG 67 H ARG 67 5.686 1.259 -8.536 494 HA ARG 67 HA ARG 67 8.171 0.503 -7.381 495 HB2 ARG 67 2HB ARG 67 7.447 2.935 -9.039 496 HB3 ARG 67 1HB ARG 67 9.098 2.471 -8.640 497 HG2 ARG 67 2HG ARG 67 7.284 0.440 -9.873 498 HG3 ARG 67 1HG ARG 67 8.018 1.669 -10.903 499 HD2 ARG 67 2HD ARG 67 9.567 -0.129 -9.016 500 HD3 ARG 67 1HD ARG 67 9.392 -0.415 -10.745 501 HE ARG 67 HE ARG 67 10.379 2.183 -10.559 502 HH11 ARG 67 1HH1 ARG 67 12.595 2.621 -10.611 503 HH12 ARG 67 2HH1 ARG 67 13.720 1.388 -10.147 504 HH21 ARG 67 1HH2 ARG 67 11.265 -0.964 -9.463 505 HH22 ARG 67 2HH2 ARG 67 12.967 -0.642 -9.497 506 H SER 68 H SER 68 6.141 3.363 -6.799 507 HA SER 68 HA SER 68 7.794 3.875 -4.359 508 HB2 SER 68 2HB SER 68 6.604 5.959 -6.203 509 HB3 SER 68 1HB SER 68 7.474 6.292 -4.711 510 HG SER 68 HG SER 68 8.399 5.403 -7.187 511 H ILE 69 H ILE 69 6.649 4.514 -2.520 512 HA ILE 69 HA ILE 69 3.938 3.660 -2.283 513 HB ILE 69 HB ILE 69 5.532 5.529 -0.505 514 HG12 ILE 69 2HG1 ILE 69 5.130 2.545 -0.280 515 HG13 ILE 69 1HG1 ILE 69 6.566 3.282 -0.977 516 HG21 ILE 69 1HG2 ILE 69 3.675 5.623 0.741 517 HG22 ILE 69 2HG2 ILE 69 3.720 3.868 0.898 518 HG23 ILE 69 3HG2 ILE 69 2.828 4.612 -0.428 519 HD11 ILE 69 1HD1 ILE 69 6.316 2.677 1.666 520 HD12 ILE 69 2HD1 ILE 69 5.767 4.354 1.656 521 HD13 ILE 69 3HD1 ILE 69 7.372 3.947 1.047 522 H ARG 70 H ARG 70 5.410 6.833 -2.827 523 HA ARG 70 HA ARG 70 3.108 8.439 -2.396 524 HB2 ARG 70 2HB ARG 70 5.420 9.320 -2.692 525 HB3 ARG 70 1HB ARG 70 5.328 8.912 -4.406 526 HG2 ARG 70 2HG ARG 70 3.359 10.394 -4.645 527 HG3 ARG 70 1HG ARG 70 3.487 10.824 -2.939 528 HD2 ARG 70 2HD ARG 70 4.585 12.563 -4.197 529 HD3 ARG 70 1HD ARG 70 5.843 11.613 -3.408 530 HE ARG 70 HE ARG 70 5.623 10.391 -5.855 531 HH11 ARG 70 1HH1 ARG 70 6.741 11.053 -7.706 532 HH12 ARG 70 2HH1 ARG 70 7.251 12.702 -7.849 533 HH21 ARG 70 1HH2 ARG 70 5.938 13.651 -4.783 534 HH22 ARG 70 2HH2 ARG 70 6.797 14.173 -6.194 535 H SER 71 H SER 71 4.172 6.673 -5.299 536 HA SER 71 HA SER 71 2.336 7.791 -7.137 537 HB2 SER 71 2HB SER 71 3.254 4.905 -7.028 538 HB3 SER 71 1HB SER 71 2.663 5.768 -8.442 539 HG SER 71 HG SER 71 4.490 6.917 -8.524 540 H ILE 72 H ILE 72 1.929 5.048 -4.891 541 HA ILE 72 HA ILE 72 -0.749 4.430 -5.722 542 HB ILE 72 HB ILE 72 0.641 3.919 -3.076 543 HG12 ILE 72 2HG1 ILE 72 0.327 2.137 -5.514 544 HG13 ILE 72 1HG1 ILE 72 1.808 2.996 -5.089 545 HG21 ILE 72 1HG2 ILE 72 -1.372 3.147 -2.440 546 HG22 ILE 72 2HG2 ILE 72 -1.204 1.897 -3.673 547 HG23 ILE 72 3HG2 ILE 72 -2.038 3.403 -4.052 548 HD11 ILE 72 1HD1 ILE 72 2.336 1.139 -3.903 549 HD12 ILE 72 2HD1 ILE 72 0.678 0.541 -3.940 550 HD13 ILE 72 3HD1 ILE 72 1.162 1.724 -2.725 551 H ASP 73 H ASP 73 0.614 6.535 -3.218 552 HA ASP 73 HA ASP 73 -1.776 7.178 -1.850 553 HB2 ASP 73 2HB ASP 73 0.589 7.820 -1.199 554 HB3 ASP 73 1HB ASP 73 0.485 9.112 -2.396 555 H ALA 74 H ALA 74 -0.388 8.628 -4.796 556 HA ALA 74 HA ALA 74 -2.342 10.723 -4.992 557 HB1 ALA 74 1HB ALA 74 -0.056 10.132 -6.350 558 HB2 ALA 74 2HB ALA 74 -1.262 11.282 -6.926 559 HB3 ALA 74 3HB ALA 74 -1.270 9.622 -7.523 560 H PHE 75 H PHE 75 -2.185 7.474 -6.444 561 HA PHE 75 HA PHE 75 -4.648 7.689 -7.885 562 HB2 PHE 75 2HB PHE 75 -2.959 5.903 -8.276 563 HB3 PHE 75 1HB PHE 75 -3.389 5.200 -6.719 564 HD1 PHE 75 1HD PHE 75 -4.616 5.963 -10.127 565 HD2 PHE 75 2HD PHE 75 -5.443 3.977 -6.409 566 HE1 PHE 75 1HE PHE 75 -6.515 4.771 -11.186 567 HE2 PHE 75 2HE PHE 75 -7.342 2.785 -7.467 568 HZ PHE 75 HZ PHE 75 -7.879 3.182 -9.856 569 H VAL 76 H VAL 76 -3.915 6.403 -4.642 570 HA VAL 76 HA VAL 76 -6.601 5.663 -4.012 571 HB VAL 76 HB VAL 76 -4.226 6.388 -2.278 572 HG11 VAL 76 1HG1 VAL 76 -6.969 5.347 -1.562 573 HG12 VAL 76 2HG1 VAL 76 -6.159 6.782 -0.934 574 HG13 VAL 76 3HG1 VAL 76 -5.574 5.178 -0.496 575 HG21 VAL 76 1HG2 VAL 76 -5.333 3.652 -2.342 576 HG22 VAL 76 2HG2 VAL 76 -3.655 4.187 -2.420 577 HG23 VAL 76 3HG2 VAL 76 -4.653 4.197 -3.874 578 H VAL 77 H VAL 77 -4.741 8.650 -3.345 579 HA VAL 77 HA VAL 77 -6.813 9.963 -1.888 580 HB VAL 77 HB VAL 77 -4.497 11.010 -3.526 581 HG11 VAL 77 1HG1 VAL 77 -5.870 12.874 -3.535 582 HG12 VAL 77 2HG1 VAL 77 -5.055 13.090 -1.986 583 HG13 VAL 77 3HG1 VAL 77 -6.682 12.411 -2.041 584 HG21 VAL 77 1HG2 VAL 77 -4.631 11.421 -0.609 585 HG22 VAL 77 2HG2 VAL 77 -3.291 10.847 -1.602 586 HG23 VAL 77 3HG2 VAL 77 -4.550 9.725 -1.090 587 H GLY 78 H GLY 78 -6.038 9.851 -5.344 588 HA2 GLY 78 2HA GLY 78 -7.850 11.827 -6.243 589 HA3 GLY 78 1HA GLY 78 -7.328 10.445 -7.206 590 H ALA 79 H ALA 79 -8.430 8.446 -5.344 591 HA ALA 79 HA ALA 79 -11.292 8.799 -6.092 592 HB1 ALA 79 1HB ALA 79 -9.797 6.762 -6.802 593 HB2 ALA 79 2HB ALA 79 -11.460 6.485 -6.284 594 HB3 ALA 79 3HB ALA 79 -10.129 6.196 -5.165 595 H THR 80 H THR 80 -9.298 7.589 -3.384 596 HA THR 80 HA THR 80 -11.127 8.787 -1.457 597 HB THR 80 HB THR 80 -10.947 5.771 -1.570 598 HG1 THR 80 1HG THR 80 -12.977 7.603 -2.288 599 HG21 THR 80 1HG2 THR 80 -13.074 6.875 0.029 600 HG22 THR 80 2HG2 THR 80 -11.529 7.548 0.545 601 HG23 THR 80 3HG2 THR 80 -11.765 5.801 0.522 602 H THR 81 H THR 81 -10.085 9.083 0.504 603 HA THR 81 HA THR 81 -7.407 7.788 0.791 604 HB THR 81 HB THR 81 -7.272 10.214 0.331 605 HG1 THR 81 1HG THR 81 -6.286 10.691 2.533 606 HG21 THR 81 1HG2 THR 81 -8.328 11.036 2.932 607 HG22 THR 81 2HG2 THR 81 -9.565 10.343 1.883 608 HG23 THR 81 3HG2 THR 81 -8.616 11.725 1.335 609 HA PRO 82 HA PRO 82 -9.820 6.595 4.512 610 HB2 PRO 82 2HB PRO 82 -9.283 3.967 4.476 611 HB3 PRO 82 1HB PRO 82 -10.463 4.682 3.359 612 HG2 PRO 82 2HG PRO 82 -7.671 3.800 2.852 613 HG3 PRO 82 1HG PRO 82 -9.094 3.713 1.801 614 HD2 PRO 82 2HD PRO 82 -7.082 5.681 1.683 615 HD3 PRO 82 1HD PRO 82 -8.676 5.773 0.902 616 HA PRO 83 HA PRO 83 -5.790 6.657 6.709 617 HB2 PRO 83 2HB PRO 83 -6.669 7.866 8.981 618 HB3 PRO 83 1HB PRO 83 -6.285 8.765 7.503 619 HG2 PRO 83 2HG PRO 83 -8.918 8.023 8.632 620 HG3 PRO 83 1HG PRO 83 -8.442 9.459 7.713 621 HD2 PRO 83 2HD PRO 83 -9.816 7.264 6.667 622 HD3 PRO 83 1HD PRO 83 -8.938 8.473 5.708 623 H VAL 84 H VAL 84 -5.034 4.939 7.895 624 HA VAL 84 HA VAL 84 -6.916 3.614 9.805 625 HB VAL 84 HB VAL 84 -4.959 2.199 7.969 626 HG11 VAL 84 1HG1 VAL 84 -5.270 0.422 9.312 627 HG12 VAL 84 2HG1 VAL 84 -7.015 0.544 9.091 628 HG13 VAL 84 3HG1 VAL 84 -6.227 1.427 10.400 629 HG21 VAL 84 1HG2 VAL 84 -7.985 2.436 7.873 630 HG22 VAL 84 2HG2 VAL 84 -7.031 1.348 6.864 631 HG23 VAL 84 3HG2 VAL 84 -6.848 3.095 6.695 632 H GLU 85 H GLU 85 -6.035 3.373 11.812 633 HA GLU 85 HA GLU 85 -3.418 4.393 12.411 634 HB2 GLU 85 2HB GLU 85 -5.316 4.299 14.043 635 HB3 GLU 85 1HB GLU 85 -5.126 2.546 14.105 636 HG2 GLU 85 2HG GLU 85 -3.904 3.469 15.969 637 HG3 GLU 85 1HG GLU 85 -2.720 2.919 14.782 638 H ALA 86 H ALA 86 -4.689 1.111 11.960 639 HA ALA 86 HA ALA 86 -2.013 0.139 11.301 640 HB1 ALA 86 1HB ALA 86 -3.418 -0.824 13.812 641 HB2 ALA 86 2HB ALA 86 -1.863 0.003 13.728 642 HB3 ALA 86 3HB ALA 86 -2.030 -1.627 13.078 643 H LYS 87 H LYS 87 -2.119 -2.116 10.496 644 HA LYS 87 HA LYS 87 -4.393 -2.617 8.880 645 HB2 LYS 87 2HB LYS 87 -2.288 -4.547 9.904 646 HB3 LYS 87 1HB LYS 87 -3.453 -4.926 8.636 647 HG2 LYS 87 2HG LYS 87 -2.587 -2.961 7.337 648 HG3 LYS 87 1HG LYS 87 -1.335 -2.761 8.563 649 HD2 LYS 87 2HD LYS 87 -0.580 -5.096 8.128 650 HD3 LYS 87 1HD LYS 87 -1.776 -5.215 6.838 651 HE2 LYS 87 2HE LYS 87 -0.429 -2.842 6.271 652 HE3 LYS 87 1HE LYS 87 0.844 -3.933 6.816 653 HZ1 LYS 87 1HZ LYS 87 -1.038 -4.278 4.569 654 HZ2 LYS 87 2HZ LYS 87 -0.247 -5.612 5.264 655 HZ3 LYS 87 3HZ LYS 87 0.657 -4.359 4.556 656 H LEU 88 H LEU 88 -3.635 -3.638 12.171 657 HA LEU 88 HA LEU 88 -5.609 -5.650 12.484 658 HB2 LEU 88 2HB LEU 88 -4.694 -3.629 14.557 659 HB3 LEU 88 1HB LEU 88 -5.462 -5.184 14.885 660 HG LEU 88 HG LEU 88 -2.780 -4.763 13.531 661 HD11 LEU 88 1HD1 LEU 88 -3.320 -6.244 16.101 662 HD12 LEU 88 2HD1 LEU 88 -3.077 -4.496 16.103 663 HD13 LEU 88 3HD1 LEU 88 -1.801 -5.564 15.518 664 HD21 LEU 88 1HD2 LEU 88 -3.574 -6.709 12.517 665 HD22 LEU 88 2HD2 LEU 88 -4.553 -7.158 13.914 666 HD23 LEU 88 3HD2 LEU 88 -2.803 -7.371 13.958 667 H GLN 89 H GLN 89 -5.857 -2.124 12.631 668 HA GLN 89 HA GLN 89 -8.784 -2.394 13.149 669 HB2 GLN 89 2HB GLN 89 -6.941 0.010 13.325 670 HB3 GLN 89 1HB GLN 89 -8.679 0.055 13.628 671 HG2 GLN 89 2HG GLN 89 -8.423 -1.563 15.458 672 HG3 GLN 89 1HG GLN 89 -6.690 -1.663 15.142 673 HE21 GLN 89 1HE2 GLN 89 -7.657 -0.795 17.686 674 HE22 GLN 89 2HE2 GLN 89 -7.279 0.849 17.875 675 H1 PN7 101 3HO SAT 101 2.726 -9.876 -11.440 676 H2 PN7 101 1H1 SAT 101 4.624 -7.825 -8.873 677 H3 PN7 101 2H1 SAT 101 2.979 -8.248 -8.401 678 H5 PN7 101 1HE1 SAT 101 3.805 -7.205 -12.448 679 H6 PN7 101 2HE1 SAT 101 4.354 -8.749 -11.798 680 H7 PN7 101 3HE1 SAT 101 5.116 -7.250 -11.271 681 H8 PN7 101 2HE2 SAT 101 3.782 -5.725 -9.562 682 H9 PN7 101 3HE2 SAT 101 2.043 -6.008 -9.512 683 H10 PN7 101 1HE2 SAT 101 2.819 -5.553 -11.029 684 H11 PN7 101 3H SAT 101 1.373 -8.678 -9.991 685 H12 PN7 101 5H SAT 101 1.420 -5.677 -12.651 686 H13 PN7 101 1H6 SAT 101 2.305 -7.726 -14.093 687 H14 PN7 101 2H6 SAT 101 0.715 -8.366 -13.681 688 H15 PN7 101 1H7 SAT 101 1.436 -6.083 -15.476 689 H16 PN7 101 2H7 SAT 101 -0.087 -5.998 -14.590 690 H17 PN7 101 9H SAT 101 1.715 -8.608 -16.357 691 H18 PN7 101 1H10 SAT 101 0.244 -8.054 -18.711 692 H19 PN7 101 2H10 SAT 101 1.139 -9.547 -18.428 693 H20 PN7 101 1H11 SAT 101 -0.984 -10.432 -18.595 694 H21 PN7 101 2H11 SAT 101 -1.757 -8.959 -18.010 695 H22 PN7 101 2HS1 SAT 101 -0.477 -9.798 -15.620 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -2.953 13.321 7.243 2 H2 MET 1 2HT MET 1 -3.819 11.859 7.298 3 H3 MET 1 3HT MET 1 -4.340 13.122 6.287 4 HA MET 1 HA MET 1 -2.509 12.872 4.838 5 HB2 MET 1 2HB MET 1 -0.918 10.858 5.512 6 HB3 MET 1 1HB MET 1 -0.634 12.475 6.151 7 HG2 MET 1 2HG MET 1 -1.883 11.903 8.194 8 HG3 MET 1 1HG MET 1 -2.201 10.290 7.555 9 HE1 MET 1 1HE MET 1 -1.089 9.022 9.632 10 HE2 MET 1 2HE MET 1 -1.143 10.668 10.258 11 HE3 MET 1 3HE MET 1 0.325 9.711 10.441 12 H GLN 2 H GLN 2 -5.172 11.701 5.288 13 HA GLN 2 HA GLN 2 -6.500 9.965 4.434 14 HB2 GLN 2 2HB GLN 2 -4.068 9.583 2.656 15 HB3 GLN 2 1HB GLN 2 -5.666 8.901 2.361 16 HG2 GLN 2 2HG GLN 2 -6.628 11.157 2.232 17 HG3 GLN 2 1HG GLN 2 -5.047 11.860 2.571 18 HE21 GLN 2 1HE2 GLN 2 -6.393 12.486 0.142 19 HE22 GLN 2 2HE2 GLN 2 -5.544 11.785 -1.150 20 H HIS 3 H HIS 3 -5.115 9.328 6.784 21 HA HIS 3 HA HIS 3 -4.247 7.515 8.013 22 HB2 HIS 3 2HB HIS 3 -6.022 6.126 5.986 23 HB3 HIS 3 1HB HIS 3 -5.316 5.319 7.385 24 HD1 HIS 3 1HD HIS 3 -8.358 5.493 7.220 25 HD2 HIS 3 2HD HIS 3 -6.028 8.398 9.103 26 HE1 HIS 3 1HE HIS 3 -9.875 6.673 8.871 27 HE2 HIS 3 2HE HIS 3 -8.467 8.440 10.022 28 H ALA 4 H ALA 4 -2.536 8.457 5.911 29 HA ALA 4 HA ALA 4 -1.522 6.377 4.253 30 HB1 ALA 4 1HB ALA 4 -0.904 8.733 3.929 31 HB2 ALA 4 2HB ALA 4 0.542 7.748 4.146 32 HB3 ALA 4 3HB ALA 4 -0.060 8.735 5.477 33 H SER 5 H SER 5 -0.801 7.259 7.612 34 HA SER 5 HA SER 5 1.467 5.585 7.972 35 HB2 SER 5 2HB SER 5 -0.682 6.216 10.017 36 HB3 SER 5 1HB SER 5 0.966 5.695 10.359 37 HG SER 5 HG SER 5 1.123 7.843 10.470 38 H VAL 6 H VAL 6 -2.003 4.891 8.193 39 HA VAL 6 HA VAL 6 -1.693 2.183 9.115 40 HB VAL 6 HB VAL 6 -3.931 3.517 7.581 41 HG11 VAL 6 1HG1 VAL 6 -5.197 1.492 8.680 42 HG12 VAL 6 2HG1 VAL 6 -3.599 0.747 8.695 43 HG13 VAL 6 3HG1 VAL 6 -4.323 1.250 7.168 44 HG21 VAL 6 1HG2 VAL 6 -4.412 2.696 10.338 45 HG22 VAL 6 2HG2 VAL 6 -4.652 4.274 9.586 46 HG23 VAL 6 3HG2 VAL 6 -3.067 3.829 10.217 47 H ILE 7 H ILE 7 -1.839 3.674 5.912 48 HA ILE 7 HA ILE 7 -1.999 1.283 4.380 49 HB ILE 7 HB ILE 7 -0.590 3.884 3.709 50 HG12 ILE 7 2HG1 ILE 7 -3.400 2.946 3.044 51 HG13 ILE 7 1HG1 ILE 7 -3.013 4.080 4.339 52 HG21 ILE 7 1HG2 ILE 7 -1.128 3.122 1.343 53 HG22 ILE 7 2HG2 ILE 7 -1.514 1.542 2.024 54 HG23 ILE 7 3HG2 ILE 7 0.121 2.186 2.164 55 HD11 ILE 7 1HD1 ILE 7 -1.673 5.098 2.105 56 HD12 ILE 7 2HD1 ILE 7 -3.167 5.724 2.802 57 HD13 ILE 7 3HD1 ILE 7 -3.231 4.563 1.477 58 H ALA 8 H ALA 8 0.864 3.167 5.389 59 HA ALA 8 HA ALA 8 2.789 1.302 4.365 60 HB1 ALA 8 1HB ALA 8 2.804 3.746 5.912 61 HB2 ALA 8 2HB ALA 8 4.087 3.058 4.917 62 HB3 ALA 8 3HB ALA 8 3.927 2.577 6.606 63 H GLN 9 H GLN 9 1.448 1.774 7.624 64 HA GLN 9 HA GLN 9 2.859 -0.379 8.863 65 HB2 GLN 9 2HB GLN 9 1.642 1.420 10.095 66 HB3 GLN 9 1HB GLN 9 0.116 0.713 9.562 67 HG2 GLN 9 2HG GLN 9 1.483 -1.457 10.623 68 HG3 GLN 9 1HG GLN 9 1.904 -0.139 11.715 69 HE21 GLN 9 1HE2 GLN 9 -1.058 -1.283 9.983 70 HE22 GLN 9 2HE2 GLN 9 -2.091 -1.071 11.313 71 H PHE 10 H PHE 10 -0.334 -0.220 7.332 72 HA PHE 10 HA PHE 10 -1.053 -2.949 7.822 73 HB2 PHE 10 2HB PHE 10 -2.649 -1.138 7.153 74 HB3 PHE 10 1HB PHE 10 -1.941 -1.165 5.538 75 HD1 PHE 10 1HD PHE 10 -2.440 -2.919 3.979 76 HD2 PHE 10 2HD PHE 10 -3.841 -3.143 8.033 77 HE1 PHE 10 1HE PHE 10 -3.914 -4.817 3.365 78 HE2 PHE 10 2HE PHE 10 -5.315 -5.041 7.420 79 HZ PHE 10 HZ PHE 10 -5.351 -5.877 5.085 80 H VAL 11 H VAL 11 0.349 -1.347 4.970 81 HA VAL 11 HA VAL 11 0.643 -3.766 3.438 82 HB VAL 11 HB VAL 11 2.149 -1.139 3.265 83 HG11 VAL 11 1HG1 VAL 11 2.510 -3.653 1.912 84 HG12 VAL 11 2HG1 VAL 11 3.406 -2.149 1.699 85 HG13 VAL 11 3HG1 VAL 11 1.944 -2.446 0.759 86 HG21 VAL 11 1HG2 VAL 11 -0.459 -1.307 2.981 87 HG22 VAL 11 2HG2 VAL 11 -0.054 -2.041 1.429 88 HG23 VAL 11 3HG2 VAL 11 0.486 -0.403 1.797 89 H VAL 12 H VAL 12 2.883 -1.921 5.493 90 HA VAL 12 HA VAL 12 5.147 -3.623 5.096 91 HB VAL 12 HB VAL 12 4.425 -1.864 7.444 92 HG11 VAL 12 1HG1 VAL 12 6.159 -3.544 7.988 93 HG12 VAL 12 2HG1 VAL 12 6.830 -1.917 7.952 94 HG13 VAL 12 3HG1 VAL 12 7.100 -3.013 6.597 95 HG21 VAL 12 1HG2 VAL 12 6.500 -1.094 5.472 96 HG22 VAL 12 2HG2 VAL 12 5.288 -0.097 6.276 97 HG23 VAL 12 3HG2 VAL 12 4.840 -1.075 4.880 98 H GLU 13 H GLU 13 2.436 -3.744 7.352 99 HA GLU 13 HA GLU 13 3.402 -5.682 9.159 100 HB2 GLU 13 2HB GLU 13 1.250 -4.459 9.410 101 HB3 GLU 13 1HB GLU 13 0.577 -5.447 8.120 102 HG2 GLU 13 2HG GLU 13 1.088 -7.486 9.452 103 HG3 GLU 13 1HG GLU 13 1.647 -6.448 10.761 104 H GLU 14 H GLU 14 2.199 -6.067 5.879 105 HA GLU 14 HA GLU 14 1.796 -8.905 5.980 106 HB2 GLU 14 2HB GLU 14 2.502 -7.097 3.651 107 HB3 GLU 14 1HB GLU 14 2.000 -8.780 3.491 108 HG2 GLU 14 2HG GLU 14 -0.125 -8.228 4.667 109 HG3 GLU 14 1HG GLU 14 0.371 -6.536 4.720 110 H PHE 15 H PHE 15 4.661 -6.915 5.501 111 HA PHE 15 HA PHE 15 6.297 -9.388 5.701 112 HB2 PHE 15 2HB PHE 15 7.712 -8.744 3.830 113 HB3 PHE 15 1HB PHE 15 6.041 -8.825 3.273 114 HD1 PHE 15 1HD PHE 15 8.946 -6.717 3.706 115 HD2 PHE 15 2HD PHE 15 4.690 -6.675 3.132 116 HE1 PHE 15 1HE PHE 15 9.066 -4.346 2.991 117 HE2 PHE 15 2HE PHE 15 4.809 -4.305 2.412 118 HZ PHE 15 HZ PHE 15 6.998 -3.141 2.343 119 H LEU 16 H LEU 16 5.866 -7.546 7.758 120 HA LEU 16 HA LEU 16 8.009 -5.582 7.752 121 HB2 LEU 16 2HB LEU 16 7.056 -4.733 9.641 122 HB3 LEU 16 1HB LEU 16 5.673 -5.632 9.054 123 HG LEU 16 HG LEU 16 7.666 -6.592 11.139 124 HD11 LEU 16 1HD1 LEU 16 5.215 -5.039 11.255 125 HD12 LEU 16 2HD1 LEU 16 6.374 -5.402 12.536 126 HD13 LEU 16 3HD1 LEU 16 5.075 -6.538 12.173 127 HD21 LEU 16 1HD2 LEU 16 5.107 -8.004 10.867 128 HD22 LEU 16 2HD2 LEU 16 6.737 -8.663 11.000 129 HD23 LEU 16 3HD2 LEU 16 6.118 -8.155 9.433 130 HA PRO 17 HA PRO 17 11.024 -8.463 9.383 131 HB2 PRO 17 2HB PRO 17 13.041 -6.716 9.873 132 HB3 PRO 17 1HB PRO 17 12.567 -7.149 8.220 133 HG2 PRO 17 2HG PRO 17 11.881 -4.720 9.805 134 HG3 PRO 17 1HG PRO 17 12.351 -4.859 8.102 135 HD2 PRO 17 2HD PRO 17 9.747 -4.594 8.934 136 HD3 PRO 17 1HD PRO 17 10.225 -5.401 7.425 137 H ASP 18 H ASP 18 12.881 -7.461 11.444 138 HA ASP 18 HA ASP 18 11.146 -7.779 13.766 139 HB2 ASP 18 2HB ASP 18 14.113 -7.266 13.484 140 HB3 ASP 18 1HB ASP 18 13.306 -7.531 15.024 141 H VAL 19 H VAL 19 11.377 -5.273 11.845 142 HA VAL 19 HA VAL 19 11.627 -3.234 14.025 143 HB VAL 19 HB VAL 19 11.813 -2.795 11.033 144 HG11 VAL 19 1HG1 VAL 19 11.264 -0.747 12.069 145 HG12 VAL 19 2HG1 VAL 19 13.022 -0.694 11.951 146 HG13 VAL 19 3HG1 VAL 19 12.253 -1.095 13.487 147 HG21 VAL 19 1HG2 VAL 19 13.925 -3.347 13.127 148 HG22 VAL 19 2HG2 VAL 19 14.304 -2.483 11.638 149 HG23 VAL 19 3HG2 VAL 19 13.702 -4.140 11.568 150 H ALA 20 H ALA 20 9.860 -1.929 14.435 151 HA ALA 20 HA ALA 20 7.299 -2.686 13.339 152 HB1 ALA 20 1HB ALA 20 8.207 -0.412 15.106 153 HB2 ALA 20 2HB ALA 20 7.291 -1.846 15.569 154 HB3 ALA 20 3HB ALA 20 6.529 -0.589 14.595 155 HA PRO 21 HA PRO 21 7.318 -0.290 9.548 156 HB2 PRO 21 2HB PRO 21 4.552 0.496 10.342 157 HB3 PRO 21 1HB PRO 21 5.136 -0.186 8.813 158 HG2 PRO 21 2HG PRO 21 3.791 -1.648 10.609 159 HG3 PRO 21 1HG PRO 21 5.062 -2.331 9.582 160 HD2 PRO 21 2HD PRO 21 5.118 -1.762 12.491 161 HD3 PRO 21 1HD PRO 21 6.077 -2.914 11.533 162 H ALA 22 H ALA 22 6.140 1.134 12.555 163 HA ALA 22 HA ALA 22 6.190 3.875 11.686 164 HB1 ALA 22 1HB ALA 22 6.656 4.066 14.356 165 HB2 ALA 22 2HB ALA 22 6.013 2.425 14.268 166 HB3 ALA 22 3HB ALA 22 5.056 3.781 13.671 167 H ASP 23 H ASP 23 8.661 1.637 12.631 168 HA ASP 23 HA ASP 23 10.642 3.844 12.896 169 HB2 ASP 23 2HB ASP 23 10.800 0.896 13.585 170 HB3 ASP 23 1HB ASP 23 12.156 2.013 13.724 171 H VAL 24 H VAL 24 9.344 2.239 10.444 172 HA VAL 24 HA VAL 24 11.914 1.600 9.083 173 HB VAL 24 HB VAL 24 9.060 1.062 8.199 174 HG11 VAL 24 1HG1 VAL 24 10.579 1.218 6.305 175 HG12 VAL 24 2HG1 VAL 24 10.207 -0.482 6.588 176 HG13 VAL 24 3HG1 VAL 24 11.753 0.182 7.116 177 HG21 VAL 24 1HG2 VAL 24 11.090 -0.954 9.170 178 HG22 VAL 24 2HG2 VAL 24 9.351 -1.164 8.972 179 HG23 VAL 24 3HG2 VAL 24 9.975 -0.160 10.280 180 H ASP 25 H ASP 25 12.624 2.860 7.383 181 HA ASP 25 HA ASP 25 11.484 5.484 7.058 182 HB2 ASP 25 2HB ASP 25 13.530 3.970 5.409 183 HB3 ASP 25 1HB ASP 25 13.129 5.671 5.170 184 H VAL 26 H VAL 26 9.288 5.127 6.422 185 HA VAL 26 HA VAL 26 8.487 3.494 4.221 186 HB VAL 26 HB VAL 26 6.408 4.777 4.255 187 HG11 VAL 26 1HG1 VAL 26 6.985 3.180 6.143 188 HG12 VAL 26 2HG1 VAL 26 5.791 4.414 6.551 189 HG13 VAL 26 3HG1 VAL 26 7.462 4.591 7.089 190 HG21 VAL 26 1HG2 VAL 26 6.947 7.034 4.379 191 HG22 VAL 26 2HG2 VAL 26 8.179 6.777 5.615 192 HG23 VAL 26 3HG2 VAL 26 6.471 6.732 6.050 193 H ASP 27 H ASP 27 10.649 5.901 4.048 194 HA ASP 27 HA ASP 27 9.624 7.145 1.563 195 HB2 ASP 27 2HB ASP 27 12.143 7.620 3.187 196 HB3 ASP 27 1HB ASP 27 11.731 8.500 1.715 197 H LEU 28 H LEU 28 10.893 4.283 2.216 198 HA LEU 28 HA LEU 28 13.014 4.236 0.156 199 HB2 LEU 28 2HB LEU 28 13.238 2.956 2.301 200 HB3 LEU 28 1HB LEU 28 11.872 1.962 1.804 201 HG LEU 28 HG LEU 28 13.354 1.695 -0.407 202 HD11 LEU 28 1HD1 LEU 28 15.106 3.239 0.542 203 HD12 LEU 28 2HD1 LEU 28 15.719 1.653 0.076 204 HD13 LEU 28 3HD1 LEU 28 15.428 2.020 1.776 205 HD21 LEU 28 1HD2 LEU 28 13.638 0.227 2.225 206 HD22 LEU 28 2HD2 LEU 28 14.378 -0.348 0.730 207 HD23 LEU 28 3HD2 LEU 28 12.624 -0.208 0.849 208 H ASP 29 H ASP 29 12.717 3.378 -1.883 209 HA ASP 29 HA ASP 29 10.063 3.057 -2.897 210 HB2 ASP 29 2HB ASP 29 12.726 2.104 -4.003 211 HB3 ASP 29 1HB ASP 29 11.209 2.071 -4.902 212 H LEU 30 H LEU 30 8.723 1.359 -2.546 213 HA LEU 30 HA LEU 30 9.694 -1.029 -1.217 214 HB2 LEU 30 2HB LEU 30 7.337 -1.786 -1.388 215 HB3 LEU 30 1HB LEU 30 7.455 -0.148 -0.743 216 HG LEU 30 HG LEU 30 7.338 -0.059 -3.623 217 HD11 LEU 30 1HD1 LEU 30 5.198 -1.647 -2.189 218 HD12 LEU 30 2HD1 LEU 30 6.133 -2.128 -3.606 219 HD13 LEU 30 3HD1 LEU 30 4.919 -0.856 -3.742 220 HD21 LEU 30 1HD2 LEU 30 5.390 0.844 -1.482 221 HD22 LEU 30 2HD2 LEU 30 5.458 1.439 -3.140 222 HD23 LEU 30 3HD2 LEU 30 6.788 1.770 -2.029 223 H VAL 31 H VAL 31 10.262 -0.211 -4.262 224 HA VAL 31 HA VAL 31 9.244 -2.274 -5.905 225 HB VAL 31 HB VAL 31 11.912 -0.838 -5.984 226 HG11 VAL 31 1HG1 VAL 31 11.502 -1.723 -8.525 227 HG12 VAL 31 2HG1 VAL 31 10.834 -3.071 -7.604 228 HG13 VAL 31 3HG1 VAL 31 12.505 -2.571 -7.348 229 HG21 VAL 31 1HG2 VAL 31 10.208 0.721 -6.453 230 HG22 VAL 31 2HG2 VAL 31 9.219 -0.472 -7.293 231 HG23 VAL 31 3HG2 VAL 31 10.679 0.154 -8.055 232 H ASP 32 H ASP 32 12.101 -2.245 -3.799 233 HA ASP 32 HA ASP 32 13.120 -4.807 -4.467 234 HB2 ASP 32 2HB ASP 32 14.195 -3.116 -2.904 235 HB3 ASP 32 1HB ASP 32 13.043 -3.630 -1.671 236 H ASN 33 H ASN 33 10.474 -3.801 -2.390 237 HA ASN 33 HA ASN 33 9.898 -6.546 -1.518 238 HB2 ASN 33 2HB ASN 33 8.311 -4.001 -1.138 239 HB3 ASN 33 1HB ASN 33 8.028 -5.529 -0.309 240 HD21 ASN 33 1HD2 ASN 33 9.177 -2.642 0.430 241 HD22 ASN 33 2HD2 ASN 33 10.478 -3.036 1.445 242 H GLY 34 H GLY 34 9.712 -5.339 -4.398 243 HA2 GLY 34 2HA GLY 34 7.153 -5.185 -5.404 244 HA3 GLY 34 1HA GLY 34 8.445 -6.017 -6.272 245 H VAL 35 H VAL 35 8.495 -7.839 -3.717 246 HA VAL 35 HA VAL 35 7.130 -10.056 -4.817 247 HB VAL 35 HB VAL 35 7.772 -9.376 -1.932 248 HG11 VAL 35 1HG1 VAL 35 7.548 -12.122 -2.091 249 HG12 VAL 35 2HG1 VAL 35 6.204 -11.574 -3.095 250 HG13 VAL 35 3HG1 VAL 35 6.326 -11.044 -1.416 251 HG21 VAL 35 1HG2 VAL 35 9.604 -9.762 -3.703 252 HG22 VAL 35 2HG2 VAL 35 9.053 -11.437 -3.734 253 HG23 VAL 35 3HG2 VAL 35 9.689 -10.746 -2.242 254 H ILE 36 H ILE 36 5.986 -7.492 -2.677 255 HA ILE 36 HA ILE 36 3.387 -8.638 -2.162 256 HB ILE 36 HB ILE 36 4.684 -6.671 -0.981 257 HG12 ILE 36 2HG1 ILE 36 1.695 -6.650 -1.501 258 HG13 ILE 36 1HG1 ILE 36 2.532 -7.518 -0.216 259 HG21 ILE 36 1HG2 ILE 36 4.601 -5.398 -3.244 260 HG22 ILE 36 2HG2 ILE 36 4.222 -4.497 -1.776 261 HG23 ILE 36 3HG2 ILE 36 2.921 -5.062 -2.826 262 HD11 ILE 36 1HD1 ILE 36 3.410 -5.276 0.582 263 HD12 ILE 36 2HD1 ILE 36 1.674 -5.512 0.776 264 HD13 ILE 36 3HD1 ILE 36 2.287 -4.525 -0.551 265 H ASP 37 H ASP 37 4.744 -6.794 -4.781 266 HA ASP 37 HA ASP 37 2.374 -5.667 -5.861 267 HB2 ASP 37 2HB ASP 37 4.878 -6.606 -7.284 268 HB3 ASP 37 1HB ASP 37 3.621 -5.615 -8.019 269 H SER 38 H SER 38 3.676 -8.945 -6.163 270 HA SER 38 HA SER 38 1.456 -9.576 -8.044 271 HB2 SER 38 2HB SER 38 3.924 -11.186 -7.361 272 HB3 SER 38 1HB SER 38 2.721 -11.607 -8.578 273 H LEU 39 H LEU 39 3.125 -11.359 -5.420 274 HA LEU 39 HA LEU 39 0.807 -13.005 -4.957 275 HB2 LEU 39 2HB LEU 39 3.300 -12.572 -3.317 276 HB3 LEU 39 1HB LEU 39 2.083 -13.788 -2.947 277 HG LEU 39 HG LEU 39 2.551 -14.298 -5.592 278 HD11 LEU 39 1HD1 LEU 39 4.379 -12.623 -5.643 279 HD12 LEU 39 2HD1 LEU 39 4.984 -14.254 -5.928 280 HD13 LEU 39 3HD1 LEU 39 5.199 -13.497 -4.350 281 HD21 LEU 39 1HD2 LEU 39 4.116 -15.406 -3.240 282 HD22 LEU 39 2HD2 LEU 39 3.859 -16.214 -4.786 283 HD23 LEU 39 3HD2 LEU 39 2.494 -15.919 -3.708 284 H GLY 40 H GLY 40 2.297 -10.441 -2.970 285 HA2 GLY 40 2HA GLY 40 0.218 -10.466 -0.995 286 HA3 GLY 40 1HA GLY 40 1.359 -9.150 -1.252 287 H LEU 41 H LEU 41 0.688 -8.655 -3.984 288 HA LEU 41 HA LEU 41 -1.428 -6.788 -3.687 289 HB2 LEU 41 2HB LEU 41 0.322 -6.762 -5.483 290 HB3 LEU 41 1HB LEU 41 -0.512 -8.111 -6.254 291 HG LEU 41 HG LEU 41 -2.607 -6.487 -6.016 292 HD11 LEU 41 1HD1 LEU 41 -1.884 -4.136 -6.394 293 HD12 LEU 41 2HD1 LEU 41 -0.215 -4.630 -6.104 294 HD13 LEU 41 3HD1 LEU 41 -1.405 -4.738 -4.806 295 HD21 LEU 41 1HD2 LEU 41 -0.467 -6.052 -8.125 296 HD22 LEU 41 2HD2 LEU 41 -2.197 -5.752 -8.303 297 HD23 LEU 41 3HD2 LEU 41 -1.603 -7.402 -8.126 298 H LEU 42 H LEU 42 -1.409 -10.108 -4.946 299 HA LEU 42 HA LEU 42 -4.142 -10.155 -5.788 300 HB2 LEU 42 2HB LEU 42 -2.416 -11.911 -6.334 301 HB3 LEU 42 1HB LEU 42 -2.540 -12.476 -4.674 302 HG LEU 42 HG LEU 42 -5.109 -12.584 -5.182 303 HD11 LEU 42 1HD1 LEU 42 -4.291 -11.564 -7.573 304 HD12 LEU 42 2HD1 LEU 42 -5.774 -12.494 -7.357 305 HD13 LEU 42 3HD1 LEU 42 -4.310 -13.289 -7.936 306 HD21 LEU 42 1HD2 LEU 42 -4.677 -14.898 -6.270 307 HD22 LEU 42 2HD2 LEU 42 -3.982 -14.603 -4.677 308 HD23 LEU 42 3HD2 LEU 42 -2.967 -14.495 -6.114 309 H LYS 43 H LYS 43 -2.593 -10.973 -2.688 310 HA LYS 43 HA LYS 43 -5.008 -11.734 -1.344 311 HB2 LYS 43 2HB LYS 43 -2.406 -10.631 -0.270 312 HB3 LYS 43 1HB LYS 43 -3.677 -11.329 0.725 313 HG2 LYS 43 2HG LYS 43 -3.483 -13.447 -0.585 314 HG3 LYS 43 1HG LYS 43 -2.123 -12.742 -1.459 315 HD2 LYS 43 2HD LYS 43 -0.949 -12.412 0.722 316 HD3 LYS 43 1HD LYS 43 -2.277 -13.246 1.527 317 HE2 LYS 43 2HE LYS 43 -0.755 -14.506 -0.759 318 HE3 LYS 43 1HE LYS 43 -0.229 -14.671 0.916 319 HZ1 LYS 43 1HZ LYS 43 -2.714 -15.340 1.257 320 HZ2 LYS 43 2HZ LYS 43 -1.580 -16.480 0.709 321 HZ3 LYS 43 3HZ LYS 43 -2.631 -15.727 -0.393 322 H VAL 44 H VAL 44 -3.373 -8.649 -1.839 323 HA VAL 44 HA VAL 44 -4.852 -7.076 0.009 324 HB VAL 44 HB VAL 44 -3.577 -6.380 -2.646 325 HG11 VAL 44 1HG1 VAL 44 -4.815 -4.482 -2.520 326 HG12 VAL 44 2HG1 VAL 44 -3.731 -4.043 -1.200 327 HG13 VAL 44 3HG1 VAL 44 -5.287 -4.795 -0.851 328 HG21 VAL 44 1HG2 VAL 44 -2.530 -5.316 -0.105 329 HG22 VAL 44 2HG2 VAL 44 -1.668 -6.061 -1.452 330 HG23 VAL 44 3HG2 VAL 44 -2.450 -7.073 -0.237 331 H ILE 45 H ILE 45 -5.534 -7.861 -3.400 332 HA ILE 45 HA ILE 45 -7.873 -6.268 -3.654 333 HB ILE 45 HB ILE 45 -6.739 -8.646 -5.052 334 HG12 ILE 45 2HG1 ILE 45 -7.120 -7.122 -7.011 335 HG13 ILE 45 1HG1 ILE 45 -7.779 -5.923 -5.899 336 HG21 ILE 45 1HG2 ILE 45 -8.978 -9.411 -4.978 337 HG22 ILE 45 2HG2 ILE 45 -8.843 -8.586 -6.531 338 HG23 ILE 45 3HG2 ILE 45 -9.628 -7.782 -5.171 339 HD11 ILE 45 1HD1 ILE 45 -5.431 -5.422 -6.295 340 HD12 ILE 45 2HD1 ILE 45 -4.973 -7.068 -5.864 341 HD13 ILE 45 3HD1 ILE 45 -5.621 -5.982 -4.634 342 H ALA 46 H ALA 46 -7.485 -9.658 -2.619 343 HA ALA 46 HA ALA 46 -10.273 -10.190 -2.271 344 HB1 ALA 46 1HB ALA 46 -8.941 -12.109 -2.275 345 HB2 ALA 46 2HB ALA 46 -9.291 -11.920 -0.557 346 HB3 ALA 46 3HB ALA 46 -7.736 -11.393 -1.204 347 H TRP 47 H TRP 47 -7.802 -9.002 0.010 348 HA TRP 47 HA TRP 47 -9.676 -8.865 2.226 349 HB2 TRP 47 2HB TRP 47 -7.547 -9.007 3.071 350 HB3 TRP 47 1HB TRP 47 -6.843 -8.103 1.732 351 HD1 TRP 47 HD TRP 47 -8.622 -7.618 5.079 352 HE1 TRP 47 1HE TRP 47 -8.274 -5.181 5.849 353 HE3 TRP 47 3HE TRP 47 -6.389 -5.691 0.923 354 HZ2 TRP 47 2HZ TRP 47 -7.180 -2.736 4.830 355 HZ3 TRP 47 3HZ TRP 47 -5.701 -3.314 0.842 356 HH2 TRP 47 HH TRP 47 -6.095 -1.836 2.788 357 H LEU 48 H LEU 48 -8.390 -6.544 -0.130 358 HA LEU 48 HA LEU 48 -9.423 -4.181 1.021 359 HB2 LEU 48 2HB LEU 48 -7.863 -4.338 -0.948 360 HB3 LEU 48 1HB LEU 48 -9.239 -4.801 -1.936 361 HG LEU 48 HG LEU 48 -10.306 -2.618 -0.908 362 HD11 LEU 48 1HD1 LEU 48 -8.558 -0.885 -0.583 363 HD12 LEU 48 2HD1 LEU 48 -7.323 -2.132 -0.747 364 HD13 LEU 48 3HD1 LEU 48 -8.440 -2.173 0.616 365 HD21 LEU 48 1HD2 LEU 48 -10.143 -2.528 -3.203 366 HD22 LEU 48 2HD2 LEU 48 -8.463 -3.063 -3.204 367 HD23 LEU 48 3HD2 LEU 48 -8.854 -1.387 -2.817 368 H GLU 49 H GLU 49 -10.982 -6.462 -1.246 369 HA GLU 49 HA GLU 49 -13.428 -4.961 -1.443 370 HB2 GLU 49 2HB GLU 49 -13.164 -6.553 -3.142 371 HB3 GLU 49 1HB GLU 49 -12.644 -7.807 -2.026 372 HG2 GLU 49 2HG GLU 49 -14.892 -8.040 -1.158 373 HG3 GLU 49 1HG GLU 49 -15.445 -6.668 -2.107 374 H ASP 50 H ASP 50 -12.356 -7.562 0.712 375 HA ASP 50 HA ASP 50 -14.852 -7.927 2.053 376 HB2 ASP 50 2HB ASP 50 -12.867 -9.466 2.165 377 HB3 ASP 50 1HB ASP 50 -12.091 -8.284 3.216 378 H ARG 51 H ARG 51 -12.065 -5.851 2.811 379 HA ARG 51 HA ARG 51 -13.114 -4.845 5.268 380 HB2 ARG 51 2HB ARG 51 -10.734 -4.660 4.572 381 HB3 ARG 51 1HB ARG 51 -11.208 -3.457 3.371 382 HG2 ARG 51 2HG ARG 51 -12.110 -2.017 5.153 383 HG3 ARG 51 1HG ARG 51 -11.658 -3.221 6.362 384 HD2 ARG 51 2HD ARG 51 -9.283 -2.991 5.658 385 HD3 ARG 51 1HD ARG 51 -9.760 -1.724 4.529 386 HE ARG 51 HE ARG 51 -10.566 -1.245 7.313 387 HH11 ARG 51 1HH1 ARG 51 -9.615 0.571 8.265 388 HH12 ARG 51 2HH1 ARG 51 -8.270 1.337 7.486 389 HH21 ARG 51 1HH2 ARG 51 -8.219 -0.874 4.815 390 HH22 ARG 51 2HH2 ARG 51 -7.480 0.518 5.532 391 H PHE 52 H PHE 52 -13.356 -3.508 1.942 392 HA PHE 52 HA PHE 52 -15.213 -1.452 3.040 393 HB2 PHE 52 2HB PHE 52 -13.712 -1.605 0.416 394 HB3 PHE 52 1HB PHE 52 -14.821 -0.314 0.860 395 HD1 PHE 52 1HD PHE 52 -14.319 1.149 2.834 396 HD2 PHE 52 2HD PHE 52 -11.494 -1.710 1.316 397 HE1 PHE 52 1HE PHE 52 -12.498 2.288 4.074 398 HE2 PHE 52 2HE PHE 52 -9.675 -0.570 2.556 399 HZ PHE 52 HZ PHE 52 -10.176 1.428 3.935 400 H GLY 53 H GLY 53 -15.297 -4.423 1.431 401 HA2 GLY 53 2HA GLY 53 -17.109 -5.549 0.428 402 HA3 GLY 53 1HA GLY 53 -18.135 -4.220 0.970 403 H ILE 54 H ILE 54 -15.289 -3.795 -1.069 404 HA ILE 54 HA ILE 54 -17.110 -2.800 -3.222 405 HB ILE 54 HB ILE 54 -15.191 -1.447 -3.959 406 HG12 ILE 54 2HG1 ILE 54 -13.784 -2.711 -1.582 407 HG13 ILE 54 1HG1 ILE 54 -13.415 -3.031 -3.277 408 HG21 ILE 54 1HG2 ILE 54 -16.699 -0.504 -2.268 409 HG22 ILE 54 2HG2 ILE 54 -15.045 0.020 -1.953 410 HG23 ILE 54 3HG2 ILE 54 -15.762 -1.267 -0.984 411 HD11 ILE 54 1HD1 ILE 54 -12.453 -0.905 -1.621 412 HD12 ILE 54 2HD1 ILE 54 -13.413 -0.209 -2.926 413 HD13 ILE 54 3HD1 ILE 54 -12.043 -1.256 -3.299 414 H ALA 55 H ALA 55 -16.595 -3.346 -5.421 415 HA ALA 55 HA ALA 55 -15.847 -6.057 -5.839 416 HB1 ALA 55 1HB ALA 55 -16.195 -3.682 -7.653 417 HB2 ALA 55 2HB ALA 55 -17.169 -5.148 -7.548 418 HB3 ALA 55 3HB ALA 55 -15.573 -5.202 -8.296 419 H ALA 56 H ALA 56 -13.944 -6.943 -6.788 420 HA ALA 56 HA ALA 56 -11.489 -5.977 -5.780 421 HB1 ALA 56 1HB ALA 56 -10.517 -7.511 -7.647 422 HB2 ALA 56 2HB ALA 56 -12.202 -7.917 -7.970 423 HB3 ALA 56 3HB ALA 56 -11.504 -8.250 -6.385 424 H ASP 57 H ASP 57 -13.053 -5.403 -8.909 425 HA ASP 57 HA ASP 57 -12.462 -3.932 -10.647 426 HB2 ASP 57 2HB ASP 57 -11.234 -2.493 -8.287 427 HB3 ASP 57 1HB ASP 57 -11.447 -1.781 -9.884 428 H ASP 58 H ASP 58 -10.828 -6.119 -10.587 429 HA ASP 58 HA ASP 58 -8.026 -5.412 -10.363 430 HB2 ASP 58 2HB ASP 58 -8.900 -7.733 -10.079 431 HB3 ASP 58 1HB ASP 58 -9.270 -7.759 -11.802 432 H VAL 59 H VAL 59 -6.978 -4.171 -11.794 433 HA VAL 59 HA VAL 59 -7.681 -4.409 -14.689 434 HB VAL 59 HB VAL 59 -7.308 -2.000 -14.948 435 HG11 VAL 59 1HG1 VAL 59 -9.124 -2.019 -12.594 436 HG12 VAL 59 2HG1 VAL 59 -9.526 -3.135 -13.899 437 HG13 VAL 59 3HG1 VAL 59 -9.401 -1.406 -14.224 438 HG21 VAL 59 1HG2 VAL 59 -6.332 -2.319 -12.171 439 HG22 VAL 59 2HG2 VAL 59 -7.297 -0.872 -12.462 440 HG23 VAL 59 3HG2 VAL 59 -5.839 -1.165 -13.411 441 H GLU 60 H GLU 60 -5.777 -3.721 -16.093 442 HA GLU 60 HA GLU 60 -3.405 -5.065 -15.283 443 HB2 GLU 60 2HB GLU 60 -3.972 -4.574 -17.651 444 HB3 GLU 60 1HB GLU 60 -3.654 -2.868 -17.355 445 HG2 GLU 60 2HG GLU 60 -1.347 -3.414 -16.701 446 HG3 GLU 60 1HG GLU 60 -1.663 -5.113 -17.022 447 H LEU 61 H LEU 61 -1.784 -4.436 -13.963 448 HA LEU 61 HA LEU 61 -1.613 -1.545 -13.231 449 HB2 LEU 61 2HB LEU 61 -0.683 -3.910 -11.583 450 HB3 LEU 61 1HB LEU 61 -0.817 -2.232 -11.062 451 HG LEU 61 HG LEU 61 -3.084 -4.073 -11.826 452 HD11 LEU 61 1HD1 LEU 61 -3.454 -4.332 -9.603 453 HD12 LEU 61 2HD1 LEU 61 -3.084 -2.643 -9.254 454 HD13 LEU 61 3HD1 LEU 61 -1.778 -3.815 -9.433 455 HD21 LEU 61 1HD2 LEU 61 -4.394 -1.964 -10.944 456 HD22 LEU 61 2HD2 LEU 61 -3.849 -2.017 -12.620 457 HD23 LEU 61 3HD2 LEU 61 -2.932 -1.102 -11.424 458 H SER 62 H SER 62 0.457 -0.592 -13.180 459 HA SER 62 HA SER 62 2.586 -2.188 -14.523 460 HB2 SER 62 2HB SER 62 1.569 0.412 -15.019 461 HB3 SER 62 1HB SER 62 3.191 0.624 -14.365 462 HG SER 62 HG SER 62 2.333 -0.594 -16.720 463 HA PRO 63 HA PRO 63 5.089 -2.134 -10.899 464 HB2 PRO 63 2HB PRO 63 7.574 -1.527 -11.984 465 HB3 PRO 63 1HB PRO 63 6.839 -3.139 -11.973 466 HG2 PRO 63 2HG PRO 63 6.988 -1.139 -14.159 467 HG3 PRO 63 1HG PRO 63 7.061 -2.908 -14.233 468 HD2 PRO 63 2HD PRO 63 4.829 -1.508 -14.923 469 HD3 PRO 63 1HD PRO 63 4.756 -3.140 -14.223 470 H GLU 64 H GLU 64 5.183 0.660 -13.011 471 HA GLU 64 HA GLU 64 6.697 2.421 -11.352 472 HB2 GLU 64 2HB GLU 64 4.467 3.016 -13.301 473 HB3 GLU 64 1HB GLU 64 5.525 4.231 -12.602 474 HG2 GLU 64 2HG GLU 64 7.475 3.046 -13.564 475 HG3 GLU 64 1HG GLU 64 6.377 1.898 -14.321 476 H HIS 65 H HIS 65 3.353 1.372 -11.242 477 HA HIS 65 HA HIS 65 2.396 3.428 -9.471 478 HB2 HIS 65 2HB HIS 65 0.871 1.987 -10.765 479 HB3 HIS 65 1HB HIS 65 1.415 0.582 -9.847 480 HD1 HIS 65 1HD HIS 65 -0.065 4.028 -9.088 481 HD2 HIS 65 2HD HIS 65 -0.153 0.121 -7.628 482 HE1 HIS 65 1HE HIS 65 -1.696 4.023 -7.148 483 HE2 HIS 65 2HE HIS 65 -1.757 1.649 -6.254 484 H PHE 66 H PHE 66 4.207 0.481 -8.967 485 HA PHE 66 HA PHE 66 3.806 0.696 -6.029 486 HB2 PHE 66 2HB PHE 66 5.204 -1.435 -7.676 487 HB3 PHE 66 1HB PHE 66 4.916 -1.504 -5.936 488 HD1 PHE 66 1HD PHE 66 2.580 -1.605 -5.054 489 HD2 PHE 66 2HD PHE 66 3.452 -1.883 -9.251 490 HE1 PHE 66 1HE PHE 66 0.305 -2.499 -5.467 491 HE2 PHE 66 2HE PHE 66 1.178 -2.780 -9.665 492 HZ PHE 66 HZ PHE 66 -0.395 -3.086 -7.774 493 H ARG 67 H ARG 67 5.702 2.205 -8.138 494 HA ARG 67 HA ARG 67 8.373 1.740 -7.365 495 HB2 ARG 67 2HB ARG 67 7.715 3.218 -9.240 496 HB3 ARG 67 1HB ARG 67 7.083 4.391 -8.091 497 HG2 ARG 67 2HG ARG 67 9.246 5.189 -8.644 498 HG3 ARG 67 1HG ARG 67 9.448 4.413 -7.079 499 HD2 ARG 67 2HD ARG 67 10.351 2.411 -8.125 500 HD3 ARG 67 1HD ARG 67 10.008 3.056 -9.731 501 HE ARG 67 HE ARG 67 11.651 4.973 -8.649 502 HH11 ARG 67 1HH1 ARG 67 13.908 4.895 -8.736 503 HH12 ARG 67 2HH1 ARG 67 14.703 3.362 -8.873 504 HH21 ARG 67 1HH2 ARG 67 11.756 1.536 -8.896 505 HH22 ARG 67 2HH2 ARG 67 13.485 1.461 -8.964 506 H SER 68 H SER 68 5.875 3.727 -5.791 507 HA SER 68 HA SER 68 7.605 3.761 -3.372 508 HB2 SER 68 2HB SER 68 7.239 6.129 -3.012 509 HB3 SER 68 1HB SER 68 7.910 5.914 -4.627 510 HG SER 68 HG SER 68 5.124 5.933 -4.198 511 H ILE 69 H ILE 69 6.389 4.138 -1.392 512 HA ILE 69 HA ILE 69 3.882 2.800 -1.294 513 HB ILE 69 HB ILE 69 5.115 4.724 0.697 514 HG12 ILE 69 2HG1 ILE 69 5.197 1.706 0.624 515 HG13 ILE 69 1HG1 ILE 69 6.499 2.727 0.030 516 HG21 ILE 69 1HG2 ILE 69 2.594 3.377 0.624 517 HG22 ILE 69 2HG2 ILE 69 3.255 4.397 1.901 518 HG23 ILE 69 3HG2 ILE 69 3.587 2.665 1.893 519 HD11 ILE 69 1HD1 ILE 69 7.129 3.395 2.137 520 HD12 ILE 69 2HD1 ILE 69 6.436 1.830 2.560 521 HD13 ILE 69 3HD1 ILE 69 5.485 3.301 2.768 522 H ARG 70 H ARG 70 4.715 6.236 -1.510 523 HA ARG 70 HA ARG 70 2.149 7.314 -0.950 524 HB2 ARG 70 2HB ARG 70 4.239 8.658 -1.163 525 HB3 ARG 70 1HB ARG 70 4.202 8.387 -2.905 526 HG2 ARG 70 2HG ARG 70 2.018 9.496 -3.054 527 HG3 ARG 70 1HG ARG 70 2.003 9.728 -1.305 528 HD2 ARG 70 2HD ARG 70 2.752 11.794 -2.310 529 HD3 ARG 70 1HD ARG 70 4.146 11.036 -1.539 530 HE ARG 70 HE ARG 70 5.097 10.726 -3.681 531 HH11 ARG 70 1HH1 ARG 70 5.096 10.976 -5.928 532 HH12 ARG 70 2HH1 ARG 70 3.624 11.396 -6.738 533 HH21 ARG 70 1HH2 ARG 70 1.740 11.495 -3.828 534 HH22 ARG 70 2HH2 ARG 70 1.724 11.690 -5.549 535 H SER 71 H SER 71 3.522 6.085 -3.997 536 HA SER 71 HA SER 71 1.414 6.907 -5.717 537 HB2 SER 71 2HB SER 71 3.574 5.898 -6.482 538 HB3 SER 71 1HB SER 71 3.019 4.337 -5.886 539 HG SER 71 HG SER 71 1.120 4.766 -7.291 540 H ILE 72 H ILE 72 1.752 4.046 -3.642 541 HA ILE 72 HA ILE 72 -0.599 2.688 -4.479 542 HB ILE 72 HB ILE 72 0.703 2.764 -1.739 543 HG12 ILE 72 2HG1 ILE 72 1.083 0.809 -4.030 544 HG13 ILE 72 1HG1 ILE 72 2.204 2.119 -3.655 545 HG21 ILE 72 1HG2 ILE 72 -1.006 1.439 -1.134 546 HG22 ILE 72 2HG2 ILE 72 -0.437 0.254 -2.309 547 HG23 ILE 72 3HG2 ILE 72 -1.648 1.447 -2.775 548 HD11 ILE 72 1HD1 ILE 72 1.751 0.800 -1.210 549 HD12 ILE 72 2HD1 ILE 72 3.215 0.741 -2.190 550 HD13 ILE 72 3HD1 ILE 72 1.961 -0.481 -2.403 551 H ASP 73 H ASP 73 -0.049 5.244 -2.086 552 HA ASP 73 HA ASP 73 -2.613 5.290 -0.891 553 HB2 ASP 73 2HB ASP 73 -0.599 6.655 -0.190 554 HB3 ASP 73 1HB ASP 73 -0.938 7.730 -1.547 555 H ALA 74 H ALA 74 -1.464 6.674 -3.945 556 HA ALA 74 HA ALA 74 -3.779 8.217 -4.556 557 HB1 ALA 74 1HB ALA 74 -3.026 8.095 -6.884 558 HB2 ALA 74 2HB ALA 74 -1.964 6.743 -6.490 559 HB3 ALA 74 3HB ALA 74 -1.637 8.344 -5.826 560 H PHE 75 H PHE 75 -2.989 4.804 -5.132 561 HA PHE 75 HA PHE 75 -5.320 4.155 -6.649 562 HB2 PHE 75 2HB PHE 75 -3.345 2.648 -6.352 563 HB3 PHE 75 1HB PHE 75 -3.862 2.370 -4.691 564 HD1 PHE 75 1HD PHE 75 -5.740 0.955 -4.174 565 HD2 PHE 75 2HD PHE 75 -4.773 1.903 -8.251 566 HE1 PHE 75 1HE PHE 75 -7.317 -0.792 -4.953 567 HE2 PHE 75 2HE PHE 75 -6.351 0.155 -9.031 568 HZ PHE 75 HZ PHE 75 -7.623 -1.192 -7.382 569 H VAL 76 H VAL 76 -4.700 4.050 -3.140 570 HA VAL 76 HA VAL 76 -7.312 3.156 -2.399 571 HB VAL 76 HB VAL 76 -5.211 4.760 -0.916 572 HG11 VAL 76 1HG1 VAL 76 -7.311 5.273 0.119 573 HG12 VAL 76 2HG1 VAL 76 -6.542 4.038 1.116 574 HG13 VAL 76 3HG1 VAL 76 -7.842 3.596 0.009 575 HG21 VAL 76 1HG2 VAL 76 -4.321 2.753 -0.346 576 HG22 VAL 76 2HG2 VAL 76 -5.273 2.097 -1.679 577 HG23 VAL 76 3HG2 VAL 76 -5.907 2.049 -0.034 578 H VAL 77 H VAL 77 -5.894 6.382 -2.848 579 HA VAL 77 HA VAL 77 -8.070 7.938 -1.933 580 HB VAL 77 HB VAL 77 -6.028 8.427 -4.111 581 HG11 VAL 77 1HG1 VAL 77 -6.863 10.892 -3.298 582 HG12 VAL 77 2HG1 VAL 77 -8.373 9.985 -3.231 583 HG13 VAL 77 3HG1 VAL 77 -7.464 10.072 -4.738 584 HG21 VAL 77 1HG2 VAL 77 -6.155 9.829 -1.463 585 HG22 VAL 77 2HG2 VAL 77 -4.751 9.457 -2.462 586 HG23 VAL 77 3HG2 VAL 77 -5.522 8.183 -1.518 587 H GLY 78 H GLY 78 -7.419 6.482 -5.099 588 HA2 GLY 78 2HA GLY 78 -9.603 7.633 -6.509 589 HA3 GLY 78 1HA GLY 78 -8.828 6.109 -6.931 590 H ALA 79 H ALA 79 -9.483 4.788 -4.379 591 HA ALA 79 HA ALA 79 -12.343 4.261 -4.994 592 HB1 ALA 79 1HB ALA 79 -10.342 2.663 -3.376 593 HB2 ALA 79 2HB ALA 79 -10.847 2.322 -5.032 594 HB3 ALA 79 3HB ALA 79 -12.003 2.170 -3.708 595 H THR 80 H THR 80 -10.240 4.746 -2.153 596 HA THR 80 HA THR 80 -12.638 5.812 -0.714 597 HB THR 80 HB THR 80 -11.984 4.712 1.298 598 HG1 THR 80 1HG THR 80 -9.745 3.496 0.230 599 HG21 THR 80 1HG2 THR 80 -12.531 2.587 0.697 600 HG22 THR 80 2HG2 THR 80 -11.210 2.473 -0.466 601 HG23 THR 80 3HG2 THR 80 -12.709 3.289 -0.911 602 H THR 81 H THR 81 -12.124 7.537 0.799 603 HA THR 81 HA THR 81 -9.347 8.587 0.591 604 HB THR 81 HB THR 81 -10.760 9.728 -1.096 605 HG1 THR 81 1HG THR 81 -10.460 11.698 0.805 606 HG21 THR 81 1HG2 THR 81 -12.294 11.225 0.916 607 HG22 THR 81 2HG2 THR 81 -12.739 9.521 0.807 608 HG23 THR 81 3HG2 THR 81 -12.819 10.547 -0.626 609 HA PRO 82 HA PRO 82 -10.744 8.596 4.995 610 HB2 PRO 82 2HB PRO 82 -7.847 8.468 5.497 611 HB3 PRO 82 1HB PRO 82 -9.128 7.377 6.049 612 HG2 PRO 82 2HG PRO 82 -7.307 6.688 4.179 613 HG3 PRO 82 1HG PRO 82 -8.952 6.032 4.225 614 HD2 PRO 82 2HD PRO 82 -7.804 8.107 2.406 615 HD3 PRO 82 1HD PRO 82 -9.052 6.884 2.082 616 HA PRO 83 HA PRO 83 -9.808 12.732 6.268 617 HB2 PRO 83 2HB PRO 83 -8.008 11.948 8.486 618 HB3 PRO 83 1HB PRO 83 -9.535 12.847 8.538 619 HG2 PRO 83 2HG PRO 83 -9.332 10.311 9.389 620 HG3 PRO 83 1HG PRO 83 -10.806 10.955 8.645 621 HD2 PRO 83 2HD PRO 83 -8.756 9.122 7.480 622 HD3 PRO 83 1HD PRO 83 -10.504 9.203 7.173 623 H VAL 84 H VAL 84 -8.260 14.396 5.954 624 HA VAL 84 HA VAL 84 -5.568 13.445 5.057 625 HB VAL 84 HB VAL 84 -7.054 15.963 4.256 626 HG11 VAL 84 1HG1 VAL 84 -5.108 16.614 3.333 627 HG12 VAL 84 2HG1 VAL 84 -4.990 15.091 2.452 628 HG13 VAL 84 3HG1 VAL 84 -4.318 15.224 4.077 629 HG21 VAL 84 1HG2 VAL 84 -7.738 14.869 2.304 630 HG22 VAL 84 2HG2 VAL 84 -7.904 13.588 3.504 631 HG23 VAL 84 3HG2 VAL 84 -6.493 13.629 2.445 632 H GLU 85 H GLU 85 -3.773 14.321 6.020 633 HA GLU 85 HA GLU 85 -4.060 16.769 7.656 634 HB2 GLU 85 2HB GLU 85 -4.491 14.838 9.180 635 HB3 GLU 85 1HB GLU 85 -2.900 14.197 8.772 636 HG2 GLU 85 2HG GLU 85 -1.875 16.321 9.588 637 HG3 GLU 85 1HG GLU 85 -3.477 16.866 10.088 638 H ALA 86 H ALA 86 -1.397 14.488 7.940 639 HA ALA 86 HA ALA 86 0.217 15.774 5.880 640 HB1 ALA 86 1HB ALA 86 1.723 16.161 8.291 641 HB2 ALA 86 2HB ALA 86 0.159 16.955 8.472 642 HB3 ALA 86 3HB ALA 86 1.208 17.372 7.117 643 H LYS 87 H LYS 87 1.465 14.128 5.137 644 HA LYS 87 HA LYS 87 1.704 11.611 6.435 645 HB2 LYS 87 2HB LYS 87 2.091 12.035 3.986 646 HB3 LYS 87 1HB LYS 87 3.637 12.774 4.409 647 HG2 LYS 87 2HG LYS 87 4.335 10.661 5.503 648 HG3 LYS 87 1HG LYS 87 2.804 9.924 5.028 649 HD2 LYS 87 2HD LYS 87 3.385 10.451 2.630 650 HD3 LYS 87 1HD LYS 87 4.980 10.956 3.188 651 HE2 LYS 87 2HE LYS 87 4.850 8.555 2.379 652 HE3 LYS 87 1HE LYS 87 5.479 8.753 4.015 653 HZ1 LYS 87 1HZ LYS 87 3.791 6.984 3.813 654 HZ2 LYS 87 2HZ LYS 87 2.643 8.156 3.373 655 HZ3 LYS 87 3HZ LYS 87 3.352 8.195 4.917 656 H LEU 88 H LEU 88 3.783 14.472 6.503 657 HA LEU 88 HA LEU 88 5.677 13.054 8.302 658 HB2 LEU 88 2HB LEU 88 6.563 14.440 6.410 659 HB3 LEU 88 1HB LEU 88 5.840 15.860 7.161 660 HG LEU 88 HG LEU 88 7.170 15.339 9.243 661 HD11 LEU 88 1HD1 LEU 88 8.092 13.281 9.337 662 HD12 LEU 88 2HD1 LEU 88 9.289 13.866 8.182 663 HD13 LEU 88 3HD1 LEU 88 7.854 13.018 7.610 664 HD21 LEU 88 1HD2 LEU 88 9.309 16.178 8.293 665 HD22 LEU 88 2HD2 LEU 88 7.917 17.051 7.651 666 HD23 LEU 88 3HD2 LEU 88 8.712 15.818 6.673 667 H GLN 89 H GLN 89 5.644 13.407 10.478 668 HA GLN 89 HA GLN 89 4.208 15.815 11.499 669 HB2 GLN 89 2HB GLN 89 3.860 12.964 12.476 670 HB3 GLN 89 1HB GLN 89 3.199 14.389 13.280 671 HG2 GLN 89 2HG GLN 89 1.892 14.940 11.279 672 HG3 GLN 89 1HG GLN 89 2.580 13.555 10.431 673 HE21 GLN 89 1HE2 GLN 89 -0.241 13.758 10.829 674 HE22 GLN 89 2HE2 GLN 89 -0.722 12.544 11.914 675 H1 PN7 101 3HO SAT 101 4.893 -7.810 -13.129 676 H2 PN7 101 1H1 SAT 101 3.151 -7.688 -9.721 677 H3 PN7 101 2H1 SAT 101 1.899 -7.937 -10.938 678 H5 PN7 101 1HE1 SAT 101 5.076 -5.178 -11.333 679 H6 PN7 101 2HE1 SAT 101 5.517 -6.830 -11.769 680 H7 PN7 101 3HE1 SAT 101 5.041 -6.453 -10.114 681 H8 PN7 101 2HE2 SAT 101 1.522 -5.498 -11.430 682 H9 PN7 101 3HE2 SAT 101 2.922 -4.428 -11.501 683 H10 PN7 101 1HE2 SAT 101 2.530 -5.268 -10.001 684 H11 PN7 101 3H SAT 101 2.235 -6.817 -13.278 685 H12 PN7 101 5H SAT 101 2.835 -3.885 -14.088 686 H13 PN7 101 1H6 SAT 101 1.936 -6.214 -15.473 687 H14 PN7 101 2H6 SAT 101 1.726 -4.558 -16.042 688 H15 PN7 101 1H7 SAT 101 4.489 -5.540 -16.270 689 H16 PN7 101 2H7 SAT 101 3.492 -4.701 -17.460 690 H17 PN7 101 9H SAT 101 3.533 -7.959 -15.842 691 H18 PN7 101 1H10 SAT 101 4.836 -8.883 -18.220 692 H19 PN7 101 2H10 SAT 101 4.302 -9.914 -16.892 693 H20 PN7 101 1H11 SAT 101 2.942 -9.261 -19.445 694 H21 PN7 101 2H11 SAT 101 1.906 -9.302 -18.018 695 H22 PN7 101 2HS1 SAT 101 3.255 -11.728 -19.309 Start of MODEL 16 1 H1 MET 1 1HT MET 1 1.517 11.675 4.937 2 H2 MET 1 2HT MET 1 0.315 10.588 5.448 3 H3 MET 1 3HT MET 1 0.398 12.147 6.121 4 HA MET 1 HA MET 1 -0.262 13.161 4.088 5 HB2 MET 1 2HB MET 1 -0.197 10.340 2.967 6 HB3 MET 1 1HB MET 1 -0.686 11.789 2.090 7 HG2 MET 1 2HG MET 1 1.584 12.747 2.481 8 HG3 MET 1 1HG MET 1 2.060 11.228 3.242 9 HE1 MET 1 1HE MET 1 3.778 11.993 0.038 10 HE2 MET 1 2HE MET 1 4.103 10.417 0.755 11 HE3 MET 1 3HE MET 1 3.825 11.811 1.797 12 H GLN 2 H GLN 2 -2.421 11.840 2.691 13 HA GLN 2 HA GLN 2 -4.522 12.120 4.591 14 HB2 GLN 2 2HB GLN 2 -4.508 10.587 1.971 15 HB3 GLN 2 1HB GLN 2 -5.954 11.057 2.865 16 HG2 GLN 2 2HG GLN 2 -3.880 12.970 1.748 17 HG3 GLN 2 1HG GLN 2 -5.470 12.662 1.048 18 HE21 GLN 2 1HE2 GLN 2 -4.004 15.009 2.718 19 HE22 GLN 2 2HE2 GLN 2 -5.262 15.523 3.736 20 H HIS 3 H HIS 3 -2.654 9.335 3.530 21 HA HIS 3 HA HIS 3 -3.231 7.856 5.929 22 HB2 HIS 3 2HB HIS 3 -4.348 5.927 4.523 23 HB3 HIS 3 1HB HIS 3 -5.342 7.246 5.140 24 HD1 HIS 3 1HD HIS 3 -6.034 9.127 3.418 25 HD2 HIS 3 2HD HIS 3 -4.128 5.829 1.715 26 HE1 HIS 3 1HE HIS 3 -6.437 9.275 0.921 27 HE2 HIS 3 2HE HIS 3 -5.280 7.274 -0.126 28 H ALA 4 H ALA 4 -1.052 8.693 4.040 29 HA ALA 4 HA ALA 4 -0.022 6.444 2.630 30 HB1 ALA 4 1HB ALA 4 2.225 7.635 3.008 31 HB2 ALA 4 2HB ALA 4 1.297 8.862 3.870 32 HB3 ALA 4 3HB ALA 4 0.976 8.550 2.163 33 H SER 5 H SER 5 0.243 7.413 6.024 34 HA SER 5 HA SER 5 2.292 5.607 6.799 35 HB2 SER 5 2HB SER 5 1.317 7.430 8.239 36 HB3 SER 5 1HB SER 5 -0.107 6.417 8.466 37 HG SER 5 HG SER 5 1.680 6.286 10.076 38 H VAL 6 H VAL 6 -1.225 5.144 6.549 39 HA VAL 6 HA VAL 6 -1.229 2.460 7.566 40 HB VAL 6 HB VAL 6 -3.116 3.881 5.680 41 HG11 VAL 6 1HG1 VAL 6 -3.362 1.516 5.275 42 HG12 VAL 6 2HG1 VAL 6 -4.692 2.004 6.324 43 HG13 VAL 6 3HG1 VAL 6 -3.298 1.161 7.001 44 HG21 VAL 6 1HG2 VAL 6 -4.556 3.928 7.723 45 HG22 VAL 6 2HG2 VAL 6 -3.054 4.825 7.931 46 HG23 VAL 6 3HG2 VAL 6 -3.227 3.219 8.637 47 H ILE 7 H ILE 7 -0.864 3.816 4.320 48 HA ILE 7 HA ILE 7 -0.904 1.381 2.862 49 HB ILE 7 HB ILE 7 0.696 3.900 2.319 50 HG12 ILE 7 2HG1 ILE 7 -2.029 3.051 1.285 51 HG13 ILE 7 1HG1 ILE 7 -1.787 4.195 2.606 52 HG21 ILE 7 1HG2 ILE 7 1.549 2.159 0.919 53 HG22 ILE 7 2HG2 ILE 7 0.417 3.066 -0.085 54 HG23 ILE 7 3HG2 ILE 7 -0.065 1.519 0.611 55 HD11 ILE 7 1HD1 ILE 7 -0.103 5.081 0.530 56 HD12 ILE 7 2HD1 ILE 7 -1.607 5.828 1.069 57 HD13 ILE 7 3HD1 ILE 7 -1.629 4.654 -0.247 58 H ALA 8 H ALA 8 1.882 3.173 4.210 59 HA ALA 8 HA ALA 8 3.832 1.192 3.500 60 HB1 ALA 8 1HB ALA 8 3.909 3.711 4.645 61 HB2 ALA 8 2HB ALA 8 5.294 2.635 4.465 62 HB3 ALA 8 3HB ALA 8 4.391 2.663 5.979 63 H GLN 9 H GLN 9 1.904 1.736 6.418 64 HA GLN 9 HA GLN 9 3.035 -0.409 7.954 65 HB2 GLN 9 2HB GLN 9 1.668 1.437 8.922 66 HB3 GLN 9 1HB GLN 9 0.247 0.780 8.110 67 HG2 GLN 9 2HG GLN 9 1.387 -1.404 9.456 68 HG3 GLN 9 1HG GLN 9 1.483 -0.062 10.596 69 HE21 GLN 9 1HE2 GLN 9 -0.911 -1.420 8.251 70 HE22 GLN 9 2HE2 GLN 9 -2.251 -1.189 9.267 71 H PHE 10 H PHE 10 0.289 -0.214 5.730 72 HA PHE 10 HA PHE 10 -0.774 -2.812 6.183 73 HB2 PHE 10 2HB PHE 10 -1.790 -0.883 4.846 74 HB3 PHE 10 1HB PHE 10 -0.742 -1.383 3.520 75 HD1 PHE 10 1HD PHE 10 -3.602 -2.316 5.637 76 HD2 PHE 10 2HD PHE 10 -1.122 -3.475 2.330 77 HE1 PHE 10 1HE PHE 10 -5.252 -4.059 5.013 78 HE2 PHE 10 2HE PHE 10 -2.772 -5.219 1.704 79 HZ PHE 10 HZ PHE 10 -4.837 -5.507 3.046 80 H VAL 11 H VAL 11 1.496 -1.708 3.658 81 HA VAL 11 HA VAL 11 1.995 -4.403 2.713 82 HB VAL 11 HB VAL 11 2.320 -2.558 1.179 83 HG11 VAL 11 1HG1 VAL 11 4.725 -1.516 2.570 84 HG12 VAL 11 2HG1 VAL 11 3.176 -1.118 3.309 85 HG13 VAL 11 3HG1 VAL 11 3.501 -0.653 1.641 86 HG21 VAL 11 1HG2 VAL 11 3.925 -4.602 1.228 87 HG22 VAL 11 2HG2 VAL 11 5.116 -3.462 1.853 88 HG23 VAL 11 3HG2 VAL 11 4.397 -3.202 0.265 89 H VAL 12 H VAL 12 3.752 -2.160 4.843 90 HA VAL 12 HA VAL 12 6.038 -3.832 5.236 91 HB VAL 12 HB VAL 12 4.825 -1.749 7.057 92 HG11 VAL 12 1HG1 VAL 12 7.457 -1.746 7.637 93 HG12 VAL 12 2HG1 VAL 12 7.257 -3.448 7.218 94 HG13 VAL 12 3HG1 VAL 12 6.294 -2.740 8.512 95 HG21 VAL 12 1HG2 VAL 12 7.304 -1.290 5.477 96 HG22 VAL 12 2HG2 VAL 12 6.004 -0.167 5.879 97 HG23 VAL 12 3HG2 VAL 12 5.791 -1.332 4.574 98 H GLU 13 H GLU 13 2.939 -3.639 6.945 99 HA GLU 13 HA GLU 13 3.558 -5.289 9.151 100 HB2 GLU 13 2HB GLU 13 1.429 -4.038 8.908 101 HB3 GLU 13 1HB GLU 13 0.930 -5.179 7.665 102 HG2 GLU 13 2HG GLU 13 1.162 -7.031 9.312 103 HG3 GLU 13 1HG GLU 13 1.555 -5.837 10.546 104 H GLU 14 H GLU 14 2.952 -6.151 5.807 105 HA GLU 14 HA GLU 14 2.401 -8.932 6.237 106 HB2 GLU 14 2HB GLU 14 3.684 -7.529 3.872 107 HB3 GLU 14 1HB GLU 14 3.126 -9.203 3.861 108 HG2 GLU 14 2HG GLU 14 0.839 -8.413 4.449 109 HG3 GLU 14 1HG GLU 14 1.414 -6.748 4.349 110 H PHE 15 H PHE 15 5.369 -7.065 6.127 111 HA PHE 15 HA PHE 15 6.831 -9.370 7.212 112 HB2 PHE 15 2HB PHE 15 8.657 -8.719 5.330 113 HB3 PHE 15 1HB PHE 15 7.461 -9.990 5.097 114 HD1 PHE 15 1HD PHE 15 6.771 -9.928 2.869 115 HD2 PHE 15 2HD PHE 15 7.133 -6.250 5.060 116 HE1 PHE 15 1HE PHE 15 5.814 -8.688 0.948 117 HE2 PHE 15 2HE PHE 15 6.178 -5.014 3.140 118 HZ PHE 15 HZ PHE 15 5.518 -6.230 1.082 119 H LEU 16 H LEU 16 6.315 -7.195 8.664 120 HA LEU 16 HA LEU 16 8.332 -5.138 8.304 121 HB2 LEU 16 2HB LEU 16 7.320 -4.017 10.102 122 HB3 LEU 16 1HB LEU 16 5.986 -4.840 9.317 123 HG LEU 16 HG LEU 16 7.466 -5.867 11.756 124 HD11 LEU 16 1HD1 LEU 16 5.155 -4.086 11.376 125 HD12 LEU 16 2HD1 LEU 16 6.182 -4.315 12.791 126 HD13 LEU 16 3HD1 LEU 16 4.857 -5.436 12.472 127 HD21 LEU 16 1HD2 LEU 16 5.511 -7.463 11.818 128 HD22 LEU 16 2HD2 LEU 16 6.565 -7.708 10.428 129 HD23 LEU 16 3HD2 LEU 16 5.033 -6.861 10.232 130 HA PRO 17 HA PRO 17 11.451 -7.312 10.623 131 HB2 PRO 17 2HB PRO 17 13.170 -5.229 11.066 132 HB3 PRO 17 1HB PRO 17 13.008 -6.024 9.490 133 HG2 PRO 17 2HG PRO 17 11.845 -3.456 10.440 134 HG3 PRO 17 1HG PRO 17 12.536 -3.868 8.863 135 HD2 PRO 17 2HD PRO 17 9.844 -3.770 9.344 136 HD3 PRO 17 1HD PRO 17 10.578 -4.813 8.108 137 H ASP 18 H ASP 18 12.960 -5.912 12.677 138 HA ASP 18 HA ASP 18 11.004 -6.064 14.848 139 HB2 ASP 18 2HB ASP 18 12.950 -5.783 16.304 140 HB3 ASP 18 1HB ASP 18 13.304 -6.996 15.079 141 H VAL 19 H VAL 19 11.273 -3.804 12.702 142 HA VAL 19 HA VAL 19 11.366 -1.509 14.621 143 HB VAL 19 HB VAL 19 11.702 -1.497 11.610 144 HG11 VAL 19 1HG1 VAL 19 12.790 0.809 12.464 145 HG12 VAL 19 2HG1 VAL 19 11.591 0.589 13.738 146 HG13 VAL 19 3HG1 VAL 19 11.081 0.675 12.052 147 HG21 VAL 19 1HG2 VAL 19 13.610 -1.790 13.888 148 HG22 VAL 19 2HG2 VAL 19 14.108 -0.759 12.546 149 HG23 VAL 19 3HG2 VAL 19 13.701 -2.451 12.255 150 H ALA 20 H ALA 20 9.548 -0.225 14.803 151 HA ALA 20 HA ALA 20 7.048 -1.205 13.768 152 HB1 ALA 20 1HB ALA 20 7.304 1.614 14.725 153 HB2 ALA 20 2HB ALA 20 7.632 0.317 15.873 154 HB3 ALA 20 3HB ALA 20 6.059 0.418 15.084 155 HA PRO 21 HA PRO 21 7.141 0.580 9.651 156 HB2 PRO 21 2HB PRO 21 4.293 1.285 10.156 157 HB3 PRO 21 1HB PRO 21 5.010 0.381 8.810 158 HG2 PRO 21 2HG PRO 21 3.632 -0.797 10.802 159 HG3 PRO 21 1HG PRO 21 4.949 -1.592 9.930 160 HD2 PRO 21 2HD PRO 21 4.899 -0.582 12.706 161 HD3 PRO 21 1HD PRO 21 5.957 -1.798 11.955 162 H ALA 22 H ALA 22 5.711 2.347 12.352 163 HA ALA 22 HA ALA 22 5.625 4.924 11.072 164 HB1 ALA 22 1HB ALA 22 5.897 5.566 13.686 165 HB2 ALA 22 2HB ALA 22 5.411 3.878 13.846 166 HB3 ALA 22 3HB ALA 22 4.372 5.018 12.990 167 H ASP 23 H ASP 23 8.196 3.008 12.255 168 HA ASP 23 HA ASP 23 10.003 5.363 12.473 169 HB2 ASP 23 2HB ASP 23 10.360 2.463 13.282 170 HB3 ASP 23 1HB ASP 23 11.624 3.686 13.413 171 H VAL 24 H VAL 24 8.875 3.575 10.074 172 HA VAL 24 HA VAL 24 11.500 3.031 8.784 173 HB VAL 24 HB VAL 24 8.697 2.345 7.841 174 HG11 VAL 24 1HG1 VAL 24 9.735 1.859 5.902 175 HG12 VAL 24 2HG1 VAL 24 10.658 0.626 6.761 176 HG13 VAL 24 3HG1 VAL 24 11.306 2.258 6.597 177 HG21 VAL 24 1HG2 VAL 24 9.354 1.207 9.965 178 HG22 VAL 24 2HG2 VAL 24 10.795 0.589 9.157 179 HG23 VAL 24 3HG2 VAL 24 9.195 0.079 8.618 180 H ASP 25 H ASP 25 12.192 4.276 7.068 181 HA ASP 25 HA ASP 25 10.928 6.830 6.637 182 HB2 ASP 25 2HB ASP 25 13.111 5.387 5.104 183 HB3 ASP 25 1HB ASP 25 12.628 7.057 4.802 184 H VAL 26 H VAL 26 8.779 6.368 5.920 185 HA VAL 26 HA VAL 26 8.097 4.635 3.782 186 HB VAL 26 HB VAL 26 6.547 5.832 5.432 187 HG11 VAL 26 1HG1 VAL 26 5.883 8.047 5.016 188 HG12 VAL 26 2HG1 VAL 26 6.499 8.019 3.364 189 HG13 VAL 26 3HG1 VAL 26 7.621 8.102 4.722 190 HG21 VAL 26 1HG2 VAL 26 5.726 6.106 2.538 191 HG22 VAL 26 2HG2 VAL 26 4.704 5.728 3.923 192 HG23 VAL 26 3HG2 VAL 26 5.867 4.542 3.337 193 H ASP 27 H ASP 27 10.247 7.063 3.540 194 HA ASP 27 HA ASP 27 9.298 8.175 0.972 195 HB2 ASP 27 2HB ASP 27 11.816 8.656 2.597 196 HB3 ASP 27 1HB ASP 27 11.445 9.473 1.078 197 H LEU 28 H LEU 28 10.549 5.329 1.830 198 HA LEU 28 HA LEU 28 12.595 5.128 -0.306 199 HB2 LEU 28 2HB LEU 28 12.981 4.080 1.934 200 HB3 LEU 28 1HB LEU 28 11.606 3.020 1.636 201 HG LEU 28 HG LEU 28 13.049 2.660 -0.659 202 HD11 LEU 28 1HD1 LEU 28 14.901 4.047 0.182 203 HD12 LEU 28 2HD1 LEU 28 15.404 2.364 0.016 204 HD13 LEU 28 3HD1 LEU 28 15.027 3.019 1.610 205 HD21 LEU 28 1HD2 LEU 28 13.883 0.560 0.508 206 HD22 LEU 28 2HD2 LEU 28 12.143 0.833 0.613 207 HD23 LEU 28 3HD2 LEU 28 13.180 1.202 1.992 208 H ASP 29 H ASP 29 12.204 4.075 -2.233 209 HA ASP 29 HA ASP 29 9.506 3.583 -3.042 210 HB2 ASP 29 2HB ASP 29 12.127 2.608 -4.225 211 HB3 ASP 29 1HB ASP 29 10.560 2.447 -5.017 212 H LEU 30 H LEU 30 8.251 1.885 -2.451 213 HA LEU 30 HA LEU 30 9.304 -0.291 -0.899 214 HB2 LEU 30 2HB LEU 30 7.030 -1.215 -1.027 215 HB3 LEU 30 1HB LEU 30 6.978 0.511 -0.667 216 HG LEU 30 HG LEU 30 7.017 0.199 -3.512 217 HD11 LEU 30 1HD1 LEU 30 4.775 -0.986 -3.694 218 HD12 LEU 30 2HD1 LEU 30 5.021 -1.537 -2.038 219 HD13 LEU 30 3HD1 LEU 30 6.145 -2.026 -3.307 220 HD21 LEU 30 1HD2 LEU 30 5.009 1.504 -3.386 221 HD22 LEU 30 2HD2 LEU 30 6.031 2.040 -2.054 222 HD23 LEU 30 3HD2 LEU 30 4.678 0.950 -1.746 223 H VAL 31 H VAL 31 10.081 0.184 -3.929 224 HA VAL 31 HA VAL 31 9.265 -2.067 -5.436 225 HB VAL 31 HB VAL 31 11.930 -0.618 -5.404 226 HG11 VAL 31 1HG1 VAL 31 12.344 -2.744 -6.412 227 HG12 VAL 31 2HG1 VAL 31 12.098 -1.621 -7.749 228 HG13 VAL 31 3HG1 VAL 31 10.803 -2.716 -7.269 229 HG21 VAL 31 1HG2 VAL 31 10.923 0.934 -6.694 230 HG22 VAL 31 2HG2 VAL 31 9.388 0.196 -6.238 231 HG23 VAL 31 3HG2 VAL 31 10.198 -0.300 -7.725 232 H ASP 32 H ASP 32 11.900 -1.711 -3.099 233 HA ASP 32 HA ASP 32 13.043 -4.295 -3.367 234 HB2 ASP 32 2HB ASP 32 12.703 -2.559 -0.897 235 HB3 ASP 32 1HB ASP 32 13.706 -4.010 -0.951 236 H ASN 33 H ASN 33 10.183 -3.154 -1.677 237 HA ASN 33 HA ASN 33 9.599 -5.792 -0.533 238 HB2 ASN 33 2HB ASN 33 7.894 -3.298 -0.655 239 HB3 ASN 33 1HB ASN 33 7.580 -4.719 0.338 240 HD21 ASN 33 1HD2 ASN 33 8.551 -1.703 0.787 241 HD22 ASN 33 2HD2 ASN 33 9.746 -1.900 1.975 242 H GLY 34 H GLY 34 9.687 -4.951 -3.546 243 HA2 GLY 34 2HA GLY 34 7.247 -5.063 -4.825 244 HA3 GLY 34 1HA GLY 34 8.666 -5.908 -5.445 245 H VAL 35 H VAL 35 8.504 -7.402 -2.686 246 HA VAL 35 HA VAL 35 7.440 -9.833 -3.623 247 HB VAL 35 HB VAL 35 7.587 -8.728 -0.803 248 HG11 VAL 35 1HG1 VAL 35 7.482 -11.306 -0.310 249 HG12 VAL 35 2HG1 VAL 35 6.653 -11.380 -1.865 250 HG13 VAL 35 3HG1 VAL 35 5.984 -10.409 -0.553 251 HG21 VAL 35 1HG2 VAL 35 9.592 -10.044 -0.633 252 HG22 VAL 35 2HG2 VAL 35 9.709 -9.145 -2.147 253 HG23 VAL 35 3HG2 VAL 35 9.265 -10.852 -2.167 254 H ILE 36 H ILE 36 5.819 -7.084 -2.131 255 HA ILE 36 HA ILE 36 3.261 -8.363 -1.764 256 HB ILE 36 HB ILE 36 4.163 -6.128 -0.772 257 HG12 ILE 36 2HG1 ILE 36 1.377 -6.619 -1.828 258 HG13 ILE 36 1HG1 ILE 36 1.979 -6.813 -0.186 259 HG21 ILE 36 1HG2 ILE 36 3.824 -4.164 -2.038 260 HG22 ILE 36 2HG2 ILE 36 2.792 -4.991 -3.205 261 HG23 ILE 36 3HG2 ILE 36 4.530 -5.285 -3.203 262 HD11 ILE 36 1HD1 ILE 36 0.947 -4.779 0.091 263 HD12 ILE 36 2HD1 ILE 36 1.130 -4.343 -1.609 264 HD13 ILE 36 3HD1 ILE 36 2.500 -4.195 -0.509 265 H ASP 37 H ASP 37 4.859 -6.914 -4.480 266 HA ASP 37 HA ASP 37 2.667 -6.165 -6.082 267 HB2 ASP 37 2HB ASP 37 5.330 -7.330 -6.929 268 HB3 ASP 37 1HB ASP 37 4.184 -6.556 -8.022 269 H SER 38 H SER 38 4.031 -9.409 -5.582 270 HA SER 38 HA SER 38 2.016 -10.454 -7.510 271 HB2 SER 38 2HB SER 38 4.730 -11.233 -6.775 272 HB3 SER 38 1HB SER 38 3.608 -12.589 -6.754 273 H LEU 39 H LEU 39 3.435 -11.665 -4.452 274 HA LEU 39 HA LEU 39 1.125 -13.280 -3.911 275 HB2 LEU 39 2HB LEU 39 3.430 -13.752 -3.057 276 HB3 LEU 39 1HB LEU 39 3.244 -12.389 -1.960 277 HG LEU 39 HG LEU 39 1.020 -14.332 -1.905 278 HD11 LEU 39 1HD1 LEU 39 2.300 -15.940 -0.519 279 HD12 LEU 39 2HD1 LEU 39 3.779 -15.045 -0.867 280 HD13 LEU 39 3HD1 LEU 39 2.921 -15.869 -2.168 281 HD21 LEU 39 1HD2 LEU 39 1.152 -12.451 -0.339 282 HD22 LEU 39 2HD2 LEU 39 2.749 -12.977 0.191 283 HD23 LEU 39 3HD2 LEU 39 1.333 -13.966 0.544 284 H GLY 40 H GLY 40 2.310 -10.302 -2.342 285 HA2 GLY 40 2HA GLY 40 0.019 -10.033 -0.636 286 HA3 GLY 40 1HA GLY 40 1.154 -8.746 -1.021 287 H LEU 41 H LEU 41 0.759 -8.821 -3.871 288 HA LEU 41 HA LEU 41 -1.401 -7.008 -4.140 289 HB2 LEU 41 2HB LEU 41 0.480 -7.237 -5.745 290 HB3 LEU 41 1HB LEU 41 -0.194 -8.768 -6.294 291 HG LEU 41 HG LEU 41 -1.811 -6.212 -6.304 292 HD11 LEU 41 1HD1 LEU 41 0.339 -6.004 -7.646 293 HD12 LEU 41 2HD1 LEU 41 -1.148 -5.792 -8.570 294 HD13 LEU 41 3HD1 LEU 41 -0.264 -7.315 -8.658 295 HD21 LEU 41 1HD2 LEU 41 -3.394 -7.738 -6.867 296 HD22 LEU 41 2HD2 LEU 41 -2.202 -8.996 -7.189 297 HD23 LEU 41 3HD2 LEU 41 -2.583 -7.805 -8.427 298 H LEU 42 H LEU 42 -1.244 -10.508 -4.741 299 HA LEU 42 HA LEU 42 -3.906 -10.765 -5.756 300 HB2 LEU 42 2HB LEU 42 -2.147 -12.560 -5.846 301 HB3 LEU 42 1HB LEU 42 -2.366 -12.800 -4.118 302 HG LEU 42 HG LEU 42 -4.907 -13.050 -4.769 303 HD11 LEU 42 1HD1 LEU 42 -3.439 -13.706 -7.333 304 HD12 LEU 42 2HD1 LEU 42 -4.645 -12.440 -7.112 305 HD13 LEU 42 3HD1 LEU 42 -5.117 -14.136 -7.006 306 HD21 LEU 42 1HD2 LEU 42 -2.676 -15.053 -5.074 307 HD22 LEU 42 2HD2 LEU 42 -4.351 -15.536 -5.338 308 HD23 LEU 42 3HD2 LEU 42 -3.851 -14.903 -3.769 309 H LYS 43 H LYS 43 -2.589 -10.961 -2.454 310 HA LYS 43 HA LYS 43 -5.141 -11.457 -1.205 311 HB2 LYS 43 2HB LYS 43 -2.555 -10.347 -0.102 312 HB3 LYS 43 1HB LYS 43 -3.935 -10.819 0.882 313 HG2 LYS 43 2HG LYS 43 -3.794 -13.115 -0.090 314 HG3 LYS 43 1HG LYS 43 -2.335 -12.623 -0.952 315 HD2 LYS 43 2HD LYS 43 -1.287 -12.040 1.240 316 HD3 LYS 43 1HD LYS 43 -2.718 -12.673 2.055 317 HE2 LYS 43 2HE LYS 43 -0.805 -14.317 1.876 318 HE3 LYS 43 1HE LYS 43 -2.326 -14.886 1.187 319 HZ1 LYS 43 1HZ LYS 43 -1.580 -14.450 -0.977 320 HZ2 LYS 43 2HZ LYS 43 -0.268 -15.208 -0.208 321 HZ3 LYS 43 3HZ LYS 43 -0.264 -13.525 -0.440 322 H VAL 44 H VAL 44 -3.268 -8.531 -1.906 323 HA VAL 44 HA VAL 44 -4.896 -6.705 -0.432 324 HB VAL 44 HB VAL 44 -3.174 -6.307 -2.888 325 HG11 VAL 44 1HG1 VAL 44 -4.211 -4.302 -3.049 326 HG12 VAL 44 2HG1 VAL 44 -3.362 -3.883 -1.562 327 HG13 VAL 44 3HG1 VAL 44 -5.011 -4.500 -1.491 328 HG21 VAL 44 1HG2 VAL 44 -2.212 -5.050 -0.510 329 HG22 VAL 44 2HG2 VAL 44 -1.480 -6.379 -1.408 330 HG23 VAL 44 3HG2 VAL 44 -2.627 -6.717 -0.111 331 H ILE 45 H ILE 45 -5.036 -7.718 -3.848 332 HA ILE 45 HA ILE 45 -7.190 -6.025 -4.607 333 HB ILE 45 HB ILE 45 -5.921 -8.499 -5.650 334 HG12 ILE 45 2HG1 ILE 45 -5.720 -7.166 -7.642 335 HG13 ILE 45 1HG1 ILE 45 -6.915 -6.009 -7.059 336 HG21 ILE 45 1HG2 ILE 45 -8.166 -9.263 -5.861 337 HG22 ILE 45 2HG2 ILE 45 -7.750 -8.594 -7.437 338 HG23 ILE 45 3HG2 ILE 45 -8.747 -7.662 -6.321 339 HD11 ILE 45 1HD1 ILE 45 -5.432 -4.989 -5.626 340 HD12 ILE 45 2HD1 ILE 45 -4.277 -5.572 -6.823 341 HD13 ILE 45 3HD1 ILE 45 -4.532 -6.476 -5.333 342 H ALA 46 H ALA 46 -7.195 -9.350 -3.324 343 HA ALA 46 HA ALA 46 -10.030 -9.711 -3.438 344 HB1 ALA 46 1HB ALA 46 -9.481 -11.390 -1.510 345 HB2 ALA 46 2HB ALA 46 -7.803 -10.971 -1.858 346 HB3 ALA 46 3HB ALA 46 -8.811 -11.688 -3.115 347 H TRP 47 H TRP 47 -7.905 -8.469 -0.864 348 HA TRP 47 HA TRP 47 -10.108 -8.109 1.003 349 HB2 TRP 47 2HB TRP 47 -8.155 -8.308 2.193 350 HB3 TRP 47 1HB TRP 47 -7.192 -7.512 0.949 351 HD1 TRP 47 HD TRP 47 -9.481 -6.757 3.917 352 HE1 TRP 47 1HE TRP 47 -9.129 -4.299 4.618 353 HE3 TRP 47 3HE TRP 47 -6.469 -5.183 0.120 354 HZ2 TRP 47 2HZ TRP 47 -7.743 -1.972 3.683 355 HZ3 TRP 47 3HZ TRP 47 -5.641 -2.851 0.044 356 HH2 TRP 47 HH TRP 47 -6.275 -1.246 1.819 357 H LEU 48 H LEU 48 -8.232 -5.938 -1.115 358 HA LEU 48 HA LEU 48 -9.426 -3.508 -0.303 359 HB2 LEU 48 2HB LEU 48 -7.451 -3.741 -1.838 360 HB3 LEU 48 1HB LEU 48 -8.554 -4.245 -3.108 361 HG LEU 48 HG LEU 48 -9.807 -2.024 -2.530 362 HD11 LEU 48 1HD1 LEU 48 -8.701 -0.461 -1.292 363 HD12 LEU 48 2HD1 LEU 48 -7.123 -0.955 -1.908 364 HD13 LEU 48 3HD1 LEU 48 -7.890 -1.872 -0.615 365 HD21 LEU 48 1HD2 LEU 48 -7.418 -2.585 -4.189 366 HD22 LEU 48 2HD2 LEU 48 -7.785 -0.877 -3.943 367 HD23 LEU 48 3HD2 LEU 48 -8.990 -1.942 -4.665 368 H GLU 49 H GLU 49 -10.458 -5.820 -2.819 369 HA GLU 49 HA GLU 49 -12.735 -4.290 -3.654 370 HB2 GLU 49 2HB GLU 49 -12.208 -5.955 -5.184 371 HB3 GLU 49 1HB GLU 49 -11.851 -7.138 -3.941 372 HG2 GLU 49 2HG GLU 49 -14.209 -7.438 -3.472 373 HG3 GLU 49 1HG GLU 49 -14.634 -6.131 -4.569 374 H ASP 50 H ASP 50 -12.262 -6.730 -1.142 375 HA ASP 50 HA ASP 50 -15.046 -6.909 -0.411 376 HB2 ASP 50 2HB ASP 50 -13.290 -8.622 0.119 377 HB3 ASP 50 1HB ASP 50 -12.632 -7.494 1.300 378 H ARG 51 H ARG 51 -12.286 -5.183 1.043 379 HA ARG 51 HA ARG 51 -13.762 -3.983 3.159 380 HB2 ARG 51 2HB ARG 51 -11.285 -4.082 3.072 381 HB3 ARG 51 1HB ARG 51 -11.301 -2.888 1.773 382 HG2 ARG 51 2HG ARG 51 -12.428 -1.275 3.256 383 HG3 ARG 51 1HG ARG 51 -12.431 -2.467 4.556 384 HD2 ARG 51 2HD ARG 51 -9.949 -2.539 4.465 385 HD3 ARG 51 1HD ARG 51 -9.976 -1.285 3.224 386 HE ARG 51 HE ARG 51 -11.360 -0.050 5.187 387 HH11 ARG 51 1HH1 ARG 51 -10.494 1.017 6.976 388 HH12 ARG 51 2HH1 ARG 51 -8.958 0.524 7.606 389 HH21 ARG 51 1HH2 ARG 51 -8.503 -1.991 5.266 390 HH22 ARG 51 2HH2 ARG 51 -7.834 -1.177 6.638 391 H PHE 52 H PHE 52 -13.064 -2.735 -0.128 392 HA PHE 52 HA PHE 52 -14.782 -0.393 0.500 393 HB2 PHE 52 2HB PHE 52 -12.938 -0.975 -1.832 394 HB3 PHE 52 1HB PHE 52 -13.879 0.500 -1.638 395 HD1 PHE 52 1HD PHE 52 -13.419 2.057 0.245 396 HD2 PHE 52 2HD PHE 52 -10.960 -1.382 -0.516 397 HE1 PHE 52 1HE PHE 52 -11.649 3.000 1.705 398 HE2 PHE 52 2HE PHE 52 -9.191 -0.439 0.944 399 HZ PHE 52 HZ PHE 52 -9.535 1.751 2.053 400 H GLY 53 H GLY 53 -15.063 -3.446 -0.890 401 HA2 GLY 53 2HA GLY 53 -16.833 -4.411 -2.102 402 HA3 GLY 53 1HA GLY 53 -17.730 -2.913 -1.837 403 H ILE 54 H ILE 54 -14.574 -2.891 -3.347 404 HA ILE 54 HA ILE 54 -15.866 -1.914 -5.850 405 HB ILE 54 HB ILE 54 -12.961 -1.765 -4.987 406 HG12 ILE 54 2HG1 ILE 54 -15.030 0.448 -4.961 407 HG13 ILE 54 1HG1 ILE 54 -14.643 -0.515 -3.534 408 HG21 ILE 54 1HG2 ILE 54 -14.115 -1.431 -7.498 409 HG22 ILE 54 2HG2 ILE 54 -12.549 -0.801 -6.990 410 HG23 ILE 54 3HG2 ILE 54 -13.986 0.214 -6.878 411 HD11 ILE 54 1HD1 ILE 54 -12.654 1.111 -5.144 412 HD12 ILE 54 2HD1 ILE 54 -12.281 0.157 -3.709 413 HD13 ILE 54 3HD1 ILE 54 -13.324 1.575 -3.580 414 H ALA 55 H ALA 55 -15.614 -3.053 -7.767 415 HA ALA 55 HA ALA 55 -14.855 -5.801 -7.677 416 HB1 ALA 55 1HB ALA 55 -15.818 -5.785 -9.713 417 HB2 ALA 55 2HB ALA 55 -14.553 -4.727 -10.339 418 HB3 ALA 55 3HB ALA 55 -15.985 -4.035 -9.577 419 H ALA 56 H ALA 56 -12.923 -6.831 -8.214 420 HA ALA 56 HA ALA 56 -10.484 -5.432 -7.791 421 HB1 ALA 56 1HB ALA 56 -10.708 -7.869 -7.482 422 HB2 ALA 56 2HB ALA 56 -9.390 -7.497 -8.595 423 HB3 ALA 56 3HB ALA 56 -10.937 -8.071 -9.219 424 H ASP 57 H ASP 57 -12.216 -6.297 -10.749 425 HA ASP 57 HA ASP 57 -10.194 -5.607 -12.629 426 HB2 ASP 57 2HB ASP 57 -13.205 -5.502 -12.845 427 HB3 ASP 57 1HB ASP 57 -12.116 -5.288 -14.213 428 H ASP 58 H ASP 58 -12.532 -3.626 -10.884 429 HA ASP 58 HA ASP 58 -12.444 -1.253 -12.356 430 HB2 ASP 58 2HB ASP 58 -12.498 -1.649 -9.363 431 HB3 ASP 58 1HB ASP 58 -12.758 -0.089 -10.140 432 H VAL 59 H VAL 59 -10.001 -2.568 -10.172 433 HA VAL 59 HA VAL 59 -8.301 -0.177 -10.676 434 HB VAL 59 HB VAL 59 -7.856 -2.482 -8.772 435 HG11 VAL 59 1HG1 VAL 59 -6.151 -1.025 -7.793 436 HG12 VAL 59 2HG1 VAL 59 -6.536 0.240 -8.959 437 HG13 VAL 59 3HG1 VAL 59 -5.809 -1.271 -9.506 438 HG21 VAL 59 1HG2 VAL 59 -9.015 0.288 -8.364 439 HG22 VAL 59 2HG2 VAL 59 -8.484 -0.752 -7.042 440 HG23 VAL 59 3HG2 VAL 59 -9.821 -1.253 -8.076 441 H GLU 60 H GLU 60 -6.474 -0.331 -11.935 442 HA GLU 60 HA GLU 60 -6.060 -2.873 -13.379 443 HB2 GLU 60 2HB GLU 60 -6.097 -0.689 -14.598 444 HB3 GLU 60 1HB GLU 60 -4.645 -0.215 -13.724 445 HG2 GLU 60 2HG GLU 60 -3.484 -2.209 -14.632 446 HG3 GLU 60 1HG GLU 60 -4.924 -2.590 -15.568 447 H LEU 61 H LEU 61 -4.192 -4.118 -13.209 448 HA LEU 61 HA LEU 61 -2.491 -3.524 -10.855 449 HB2 LEU 61 2HB LEU 61 -2.566 -6.035 -12.547 450 HB3 LEU 61 1HB LEU 61 -1.858 -5.849 -10.944 451 HG LEU 61 HG LEU 61 -4.788 -5.619 -11.643 452 HD11 LEU 61 1HD1 LEU 61 -3.055 -7.777 -10.663 453 HD12 LEU 61 2HD1 LEU 61 -4.663 -7.866 -11.380 454 HD13 LEU 61 3HD1 LEU 61 -4.483 -7.511 -9.662 455 HD21 LEU 61 1HD2 LEU 61 -3.220 -5.016 -9.147 456 HD22 LEU 61 2HD2 LEU 61 -4.895 -5.551 -9.034 457 HD23 LEU 61 3HD2 LEU 61 -4.501 -4.069 -9.904 458 H SER 62 H SER 62 -0.349 -2.978 -11.077 459 HA SER 62 HA SER 62 1.199 -3.666 -13.428 460 HB2 SER 62 2HB SER 62 -0.366 -1.354 -13.662 461 HB3 SER 62 1HB SER 62 1.247 -0.761 -13.275 462 HG SER 62 HG SER 62 0.671 -1.229 -15.580 463 HA PRO 63 HA PRO 63 4.443 -3.128 -10.482 464 HB2 PRO 63 2HB PRO 63 6.479 -2.215 -12.135 465 HB3 PRO 63 1HB PRO 63 6.019 -3.915 -11.940 466 HG2 PRO 63 2HG PRO 63 5.342 -2.007 -14.108 467 HG3 PRO 63 1HG PRO 63 5.665 -3.747 -14.189 468 HD2 PRO 63 2HD PRO 63 3.146 -2.724 -14.331 469 HD3 PRO 63 1HD PRO 63 3.492 -4.316 -13.620 470 H GLU 64 H GLU 64 3.698 -0.448 -12.629 471 HA GLU 64 HA GLU 64 5.229 1.569 -11.288 472 HB2 GLU 64 2HB GLU 64 2.688 1.782 -12.908 473 HB3 GLU 64 1HB GLU 64 3.662 3.156 -12.407 474 HG2 GLU 64 2HG GLU 64 5.600 2.180 -13.601 475 HG3 GLU 64 1HG GLU 64 4.569 0.869 -14.158 476 H HIS 65 H HIS 65 2.107 0.117 -10.646 477 HA HIS 65 HA HIS 65 1.141 2.125 -8.825 478 HB2 HIS 65 2HB HIS 65 -0.343 0.437 -9.825 479 HB3 HIS 65 1HB HIS 65 0.521 -0.842 -8.971 480 HD1 HIS 65 1HD HIS 65 -1.325 2.389 -8.083 481 HD2 HIS 65 2HD HIS 65 -0.608 -1.413 -6.523 482 HE1 HIS 65 1HE HIS 65 -2.647 2.235 -5.925 483 HE2 HIS 65 2HE HIS 65 -2.216 -0.073 -4.967 484 H PHE 66 H PHE 66 3.378 -0.541 -8.498 485 HA PHE 66 HA PHE 66 3.417 -0.167 -5.543 486 HB2 PHE 66 2HB PHE 66 4.569 -2.337 -7.317 487 HB3 PHE 66 1HB PHE 66 4.764 -2.279 -5.565 488 HD1 PHE 66 1HD PHE 66 2.359 -2.718 -8.330 489 HD2 PHE 66 2HD PHE 66 2.898 -2.709 -4.069 490 HE1 PHE 66 1HE PHE 66 0.128 -3.764 -8.044 491 HE2 PHE 66 2HE PHE 66 0.669 -3.756 -3.783 492 HZ PHE 66 HZ PHE 66 -0.717 -4.281 -5.771 493 H ARG 67 H ARG 67 4.873 1.257 -8.064 494 HA ARG 67 HA ARG 67 7.654 0.987 -7.608 495 HB2 ARG 67 2HB ARG 67 6.739 2.164 -9.562 496 HB3 ARG 67 1HB ARG 67 6.107 3.433 -8.521 497 HG2 ARG 67 2HG ARG 67 8.171 4.232 -9.474 498 HG3 ARG 67 1HG ARG 67 8.478 3.881 -7.780 499 HD2 ARG 67 2HD ARG 67 9.589 1.825 -8.312 500 HD3 ARG 67 1HD ARG 67 9.040 1.888 -9.987 501 HE ARG 67 HE ARG 67 10.623 4.212 -9.320 502 HH11 ARG 67 1HH1 ARG 67 12.703 4.308 -10.197 503 HH12 ARG 67 2HH1 ARG 67 13.435 2.864 -10.816 504 HH21 ARG 67 1HH2 ARG 67 10.716 0.847 -10.066 505 HH22 ARG 67 2HH2 ARG 67 12.310 0.905 -10.740 506 H SER 68 H SER 68 5.287 3.161 -6.050 507 HA SER 68 HA SER 68 7.107 3.374 -3.743 508 HB2 SER 68 2HB SER 68 7.255 5.780 -3.767 509 HB3 SER 68 1HB SER 68 7.778 5.204 -5.348 510 HG SER 68 HG SER 68 6.292 6.536 -6.030 511 H ILE 69 H ILE 69 6.026 4.365 -1.869 512 HA ILE 69 HA ILE 69 3.315 3.543 -1.570 513 HB ILE 69 HB ILE 69 4.981 5.491 0.048 514 HG12 ILE 69 2HG1 ILE 69 4.639 3.146 1.479 515 HG13 ILE 69 1HG1 ILE 69 4.847 2.572 -0.172 516 HG21 ILE 69 1HG2 ILE 69 2.955 5.969 0.958 517 HG22 ILE 69 2HG2 ILE 69 3.161 4.413 1.762 518 HG23 ILE 69 3HG2 ILE 69 2.205 4.523 0.285 519 HD11 ILE 69 1HD1 ILE 69 7.015 2.801 1.042 520 HD12 ILE 69 2HD1 ILE 69 6.703 4.527 1.207 521 HD13 ILE 69 3HD1 ILE 69 6.929 3.823 -0.393 522 H ARG 70 H ARG 70 4.774 6.681 -2.339 523 HA ARG 70 HA ARG 70 2.443 8.285 -2.048 524 HB2 ARG 70 2HB ARG 70 4.752 9.167 -2.367 525 HB3 ARG 70 1HB ARG 70 4.678 8.655 -4.054 526 HG2 ARG 70 2HG ARG 70 4.073 10.999 -3.932 527 HG3 ARG 70 1HG ARG 70 2.634 10.073 -4.344 528 HD2 ARG 70 2HD ARG 70 3.056 10.388 -1.447 529 HD3 ARG 70 1HD ARG 70 2.792 11.907 -2.300 530 HE ARG 70 HE ARG 70 0.887 9.756 -2.935 531 HH11 ARG 70 1HH1 ARG 70 -1.262 10.253 -2.452 532 HH12 ARG 70 2HH1 ARG 70 -1.620 11.649 -1.490 533 HH21 ARG 70 1HH2 ARG 70 1.701 12.565 -1.104 534 HH22 ARG 70 2HH2 ARG 70 0.057 12.956 -0.728 535 H SER 71 H SER 71 3.626 6.420 -4.849 536 HA SER 71 HA SER 71 1.697 7.348 -6.715 537 HB2 SER 71 2HB SER 71 2.899 4.572 -6.556 538 HB3 SER 71 1HB SER 71 2.213 5.339 -7.982 539 HG SER 71 HG SER 71 3.864 6.852 -7.919 540 H ILE 72 H ILE 72 1.574 4.603 -4.437 541 HA ILE 72 HA ILE 72 -1.017 3.687 -5.234 542 HB ILE 72 HB ILE 72 0.407 3.428 -2.569 543 HG12 ILE 72 2HG1 ILE 72 0.284 1.522 -4.927 544 HG13 ILE 72 1HG1 ILE 72 1.660 2.563 -4.562 545 HG21 ILE 72 1HG2 ILE 72 -1.059 1.447 -2.301 546 HG22 ILE 72 2HG2 ILE 72 -1.883 1.875 -3.799 547 HG23 ILE 72 3HG2 ILE 72 -1.983 2.944 -2.401 548 HD11 ILE 72 1HD1 ILE 72 1.018 0.002 -3.437 549 HD12 ILE 72 2HD1 ILE 72 0.969 1.212 -2.156 550 HD13 ILE 72 3HD1 ILE 72 2.428 1.013 -3.125 551 H ASP 73 H ASP 73 0.070 5.999 -2.767 552 HA ASP 73 HA ASP 73 -2.416 6.418 -1.477 553 HB2 ASP 73 2HB ASP 73 -0.174 7.325 -0.748 554 HB3 ASP 73 1HB ASP 73 -0.327 8.545 -2.012 555 H ALA 74 H ALA 74 -1.102 7.863 -4.447 556 HA ALA 74 HA ALA 74 -3.192 9.796 -4.780 557 HB1 ALA 74 1HB ALA 74 -1.045 9.882 -6.020 558 HB2 ALA 74 2HB ALA 74 -2.429 9.930 -7.111 559 HB3 ALA 74 3HB ALA 74 -1.516 8.435 -6.910 560 H PHE 75 H PHE 75 -2.803 6.491 -6.080 561 HA PHE 75 HA PHE 75 -5.298 6.513 -7.508 562 HB2 PHE 75 2HB PHE 75 -3.622 4.236 -6.419 563 HB3 PHE 75 1HB PHE 75 -5.038 4.008 -7.441 564 HD1 PHE 75 1HD PHE 75 -1.535 4.433 -7.442 565 HD2 PHE 75 2HD PHE 75 -5.064 5.466 -9.661 566 HE1 PHE 75 1HE PHE 75 -0.147 4.845 -9.455 567 HE2 PHE 75 2HE PHE 75 -3.676 5.875 -11.676 568 HZ PHE 75 HZ PHE 75 -1.218 5.566 -11.573 569 H VAL 76 H VAL 76 -4.379 5.446 -4.243 570 HA VAL 76 HA VAL 76 -6.933 4.387 -3.525 571 HB VAL 76 HB VAL 76 -4.678 5.545 -1.865 572 HG11 VAL 76 1HG1 VAL 76 -6.685 5.708 -0.551 573 HG12 VAL 76 2HG1 VAL 76 -5.812 4.280 0.004 574 HG13 VAL 76 3HG1 VAL 76 -7.210 4.102 -1.055 575 HG21 VAL 76 1HG2 VAL 76 -4.264 3.456 -3.225 576 HG22 VAL 76 2HG2 VAL 76 -5.551 2.675 -2.307 577 HG23 VAL 76 3HG2 VAL 76 -4.093 3.228 -1.485 578 H VAL 77 H VAL 77 -5.499 7.636 -3.146 579 HA VAL 77 HA VAL 77 -7.663 8.775 -1.682 580 HB VAL 77 HB VAL 77 -5.636 10.005 -3.568 581 HG11 VAL 77 1HG1 VAL 77 -6.481 11.978 -1.839 582 HG12 VAL 77 2HG1 VAL 77 -7.980 11.129 -2.213 583 HG13 VAL 77 3HG1 VAL 77 -7.002 11.804 -3.514 584 HG21 VAL 77 1HG2 VAL 77 -5.528 10.606 -0.701 585 HG22 VAL 77 2HG2 VAL 77 -4.245 10.060 -1.781 586 HG23 VAL 77 3HG2 VAL 77 -5.336 8.887 -1.046 587 H GLY 78 H GLY 78 -7.029 8.531 -5.171 588 HA2 GLY 78 2HA GLY 78 -9.201 10.112 -6.076 589 HA3 GLY 78 1HA GLY 78 -8.466 8.803 -6.999 590 H ALA 79 H ALA 79 -9.130 6.787 -4.902 591 HA ALA 79 HA ALA 79 -11.979 6.466 -5.674 592 HB1 ALA 79 1HB ALA 79 -10.902 4.175 -4.310 593 HB2 ALA 79 2HB ALA 79 -9.778 4.690 -5.568 594 HB3 ALA 79 3HB ALA 79 -11.449 4.305 -5.981 595 H THR 80 H THR 80 -9.889 6.142 -2.799 596 HA THR 80 HA THR 80 -12.216 6.960 -1.148 597 HB THR 80 HB THR 80 -12.023 4.411 -1.250 598 HG1 THR 80 1HG THR 80 -12.441 6.073 0.765 599 HG21 THR 80 1HG2 THR 80 -9.846 4.532 0.747 600 HG22 THR 80 2HG2 THR 80 -9.360 4.867 -0.915 601 HG23 THR 80 3HG2 THR 80 -10.151 3.342 -0.517 602 H THR 81 H THR 81 -11.571 7.793 0.951 603 HA THR 81 HA THR 81 -8.657 8.267 1.283 604 HB THR 81 HB THR 81 -9.640 10.223 0.109 605 HG1 THR 81 1HG THR 81 -9.089 10.877 2.803 606 HG21 THR 81 1HG2 THR 81 -11.846 9.733 1.668 607 HG22 THR 81 2HG2 THR 81 -11.559 11.231 0.781 608 HG23 THR 81 3HG2 THR 81 -11.128 11.119 2.488 609 HA PRO 82 HA PRO 82 -10.615 6.817 5.207 610 HB2 PRO 82 2HB PRO 82 -7.842 6.065 5.851 611 HB3 PRO 82 1HB PRO 82 -9.301 5.061 5.825 612 HG2 PRO 82 2HG PRO 82 -7.341 4.870 3.977 613 HG3 PRO 82 1HG PRO 82 -9.041 4.504 3.640 614 HD2 PRO 82 2HD PRO 82 -7.440 6.900 2.859 615 HD3 PRO 82 1HD PRO 82 -8.791 6.114 2.012 616 HA PRO 83 HA PRO 83 -9.474 9.911 8.156 617 HB2 PRO 83 2HB PRO 83 -8.182 8.017 10.035 618 HB3 PRO 83 1HB PRO 83 -9.587 9.069 10.283 619 HG2 PRO 83 2HG PRO 83 -9.819 6.415 10.020 620 HG3 PRO 83 1HG PRO 83 -11.054 7.541 9.434 621 HD2 PRO 83 2HD PRO 83 -9.019 6.000 7.877 622 HD3 PRO 83 1HD PRO 83 -10.674 6.466 7.426 623 H VAL 84 H VAL 84 -7.710 11.260 8.798 624 HA VAL 84 HA VAL 84 -5.082 10.392 7.698 625 HB VAL 84 HB VAL 84 -5.978 13.167 8.528 626 HG11 VAL 84 1HG1 VAL 84 -3.462 12.007 7.682 627 HG12 VAL 84 2HG1 VAL 84 -3.800 13.652 8.225 628 HG13 VAL 84 3HG1 VAL 84 -3.998 13.227 6.525 629 HG21 VAL 84 1HG2 VAL 84 -5.954 13.346 5.883 630 HG22 VAL 84 2HG2 VAL 84 -7.385 12.753 6.725 631 HG23 VAL 84 3HG2 VAL 84 -6.266 11.612 5.980 632 H GLU 85 H GLU 85 -3.422 9.964 9.074 633 HA GLU 85 HA GLU 85 -3.533 11.077 11.830 634 HB2 GLU 85 2HB GLU 85 -2.931 8.189 11.123 635 HB3 GLU 85 1HB GLU 85 -2.822 8.890 12.739 636 HG2 GLU 85 2HG GLU 85 -5.237 9.475 12.621 637 HG3 GLU 85 1HG GLU 85 -5.330 8.690 11.045 638 H ALA 86 H ALA 86 -1.416 11.287 12.812 639 HA ALA 86 HA ALA 86 0.671 11.962 10.954 640 HB1 ALA 86 1HB ALA 86 0.203 12.628 13.522 641 HB2 ALA 86 2HB ALA 86 1.805 12.747 12.794 642 HB3 ALA 86 3HB ALA 86 1.388 11.346 13.780 643 H LYS 87 H LYS 87 2.516 10.791 10.354 644 HA LYS 87 HA LYS 87 2.351 7.959 10.251 645 HB2 LYS 87 2HB LYS 87 3.778 9.367 8.752 646 HB3 LYS 87 1HB LYS 87 4.873 9.638 10.108 647 HG2 LYS 87 2HG LYS 87 5.210 7.185 10.303 648 HG3 LYS 87 1HG LYS 87 4.168 6.948 8.899 649 HD2 LYS 87 2HD LYS 87 5.720 8.378 7.559 650 HD3 LYS 87 1HD LYS 87 6.792 8.466 8.957 651 HE2 LYS 87 2HE LYS 87 5.922 5.882 7.627 652 HE3 LYS 87 1HE LYS 87 7.465 6.686 7.334 653 HZ1 LYS 87 1HZ LYS 87 7.375 4.853 9.090 654 HZ2 LYS 87 2HZ LYS 87 6.602 6.002 10.071 655 HZ3 LYS 87 3HZ LYS 87 8.171 6.295 9.491 656 H LEU 88 H LEU 88 3.960 10.105 12.568 657 HA LEU 88 HA LEU 88 5.418 8.127 13.999 658 HB2 LEU 88 2HB LEU 88 4.101 10.625 15.112 659 HB3 LEU 88 1HB LEU 88 5.427 9.730 15.854 660 HG LEU 88 HG LEU 88 5.509 11.164 13.182 661 HD11 LEU 88 1HD1 LEU 88 6.821 11.694 15.865 662 HD12 LEU 88 2HD1 LEU 88 5.635 12.712 15.048 663 HD13 LEU 88 3HD1 LEU 88 7.254 12.527 14.372 664 HD21 LEU 88 1HD2 LEU 88 6.965 9.371 12.854 665 HD22 LEU 88 2HD2 LEU 88 7.375 9.258 14.566 666 HD23 LEU 88 3HD2 LEU 88 8.049 10.557 13.580 667 H GLN 89 H GLN 89 2.032 9.125 14.189 668 HA GLN 89 HA GLN 89 0.231 8.202 15.381 669 HB2 GLN 89 2HB GLN 89 1.994 5.745 15.137 670 HB3 GLN 89 1HB GLN 89 0.294 5.724 15.605 671 HG2 GLN 89 2HG GLN 89 -0.275 6.829 13.439 672 HG3 GLN 89 1HG GLN 89 1.420 6.703 12.967 673 HE21 GLN 89 1HE2 GLN 89 0.902 4.012 14.823 674 HE22 GLN 89 2HE2 GLN 89 0.453 2.909 13.612 675 H1 PN7 101 3HO SAT 101 4.036 -7.840 -14.510 676 H2 PN7 101 1H1 SAT 101 5.203 -8.986 -11.700 677 H3 PN7 101 2H1 SAT 101 5.154 -8.267 -10.091 678 H5 PN7 101 1HE1 SAT 101 3.395 -5.563 -11.656 679 H6 PN7 101 2HE1 SAT 101 4.998 -6.239 -11.950 680 H7 PN7 101 3HE1 SAT 101 4.411 -6.048 -10.298 681 H8 PN7 101 2HE2 SAT 101 1.698 -8.611 -10.715 682 H9 PN7 101 3HE2 SAT 101 1.698 -6.851 -10.607 683 H10 PN7 101 1HE2 SAT 101 2.600 -7.806 -9.431 684 H11 PN7 101 3H SAT 101 3.207 -9.087 -12.959 685 H12 PN7 101 5H SAT 101 1.907 -5.618 -13.206 686 H13 PN7 101 1H6 SAT 101 -0.425 -6.293 -14.482 687 H14 PN7 101 2H6 SAT 101 0.827 -5.361 -15.300 688 H15 PN7 101 1H7 SAT 101 0.350 -8.339 -15.373 689 H16 PN7 101 2H7 SAT 101 1.926 -7.662 -15.784 690 H17 PN7 101 9H SAT 101 1.251 -5.348 -17.151 691 H18 PN7 101 1H10 SAT 101 0.301 -4.773 -19.337 692 H19 PN7 101 2H10 SAT 101 -0.807 -6.136 -19.163 693 H20 PN7 101 1H11 SAT 101 -1.154 -4.324 -16.947 694 H21 PN7 101 2H11 SAT 101 -2.333 -4.816 -18.164 695 H22 PN7 101 2HS1 SAT 101 -2.123 -2.513 -19.043 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -2.912 14.864 -0.083 2 H2 MET 1 2HT MET 1 -3.136 13.483 -1.046 3 H3 MET 1 3HT MET 1 -1.857 14.551 -1.373 4 HA MET 1 HA MET 1 -1.543 12.302 -0.014 5 HB2 MET 1 2HB MET 1 -0.147 14.964 0.351 6 HB3 MET 1 1HB MET 1 0.476 13.446 1.000 7 HG2 MET 1 2HG MET 1 0.479 12.481 -1.275 8 HG3 MET 1 1HG MET 1 -0.105 14.017 -1.919 9 HE1 MET 1 1HE MET 1 3.448 14.193 -3.250 10 HE2 MET 1 2HE MET 1 1.723 14.374 -3.558 11 HE3 MET 1 3HE MET 1 2.377 12.787 -3.164 12 H GLN 2 H GLN 2 -3.857 12.774 1.205 13 HA GLN 2 HA GLN 2 -3.469 14.044 3.821 14 HB2 GLN 2 2HB GLN 2 -5.762 12.376 2.735 15 HB3 GLN 2 1HB GLN 2 -5.785 13.268 4.257 16 HG2 GLN 2 2HG GLN 2 -5.410 15.377 3.028 17 HG3 GLN 2 1HG GLN 2 -5.396 14.484 1.505 18 HE21 GLN 2 1HE2 GLN 2 -7.339 16.480 1.833 19 HE22 GLN 2 2HE2 GLN 2 -8.867 15.766 2.024 20 H HIS 3 H HIS 3 -2.937 12.964 5.701 21 HA HIS 3 HA HIS 3 -2.149 11.199 7.037 22 HB2 HIS 3 2HB HIS 3 -4.108 9.560 5.399 23 HB3 HIS 3 1HB HIS 3 -3.469 9.153 6.991 24 HD1 HIS 3 1HD HIS 3 -5.951 11.365 5.271 25 HD2 HIS 3 2HD HIS 3 -4.565 10.694 9.148 26 HE1 HIS 3 1HE HIS 3 -7.562 12.554 6.825 27 HE2 HIS 3 2HE HIS 3 -6.728 12.152 9.186 28 H ALA 4 H ALA 4 -0.668 11.813 4.665 29 HA ALA 4 HA ALA 4 -0.011 9.562 3.066 30 HB1 ALA 4 1HB ALA 4 1.492 12.037 3.892 31 HB2 ALA 4 2HB ALA 4 0.866 11.601 2.303 32 HB3 ALA 4 3HB ALA 4 2.293 10.785 2.943 33 H SER 5 H SER 5 1.092 10.525 6.286 34 HA SER 5 HA SER 5 3.297 8.756 6.529 35 HB2 SER 5 2HB SER 5 2.677 10.558 8.168 36 HB3 SER 5 1HB SER 5 1.361 9.531 8.728 37 HG SER 5 HG SER 5 4.140 9.204 8.967 38 H VAL 6 H VAL 6 -0.170 8.214 7.044 39 HA VAL 6 HA VAL 6 0.073 5.573 8.125 40 HB VAL 6 HB VAL 6 -2.159 6.905 6.587 41 HG11 VAL 6 1HG1 VAL 6 -2.703 4.671 6.245 42 HG12 VAL 6 2HG1 VAL 6 -3.445 4.940 7.823 43 HG13 VAL 6 3HG1 VAL 6 -1.877 4.141 7.711 44 HG21 VAL 6 1HG2 VAL 6 -1.865 7.950 8.708 45 HG22 VAL 6 2HG2 VAL 6 -1.555 6.408 9.506 46 HG23 VAL 6 3HG2 VAL 6 -3.180 6.798 8.944 47 H ILE 7 H ILE 7 -0.131 6.787 4.808 48 HA ILE 7 HA ILE 7 -0.471 4.297 3.489 49 HB ILE 7 HB ILE 7 1.084 6.726 2.558 50 HG12 ILE 7 2HG1 ILE 7 -1.816 5.965 2.083 51 HG13 ILE 7 1HG1 ILE 7 -1.292 7.140 3.288 52 HG21 ILE 7 1HG2 ILE 7 1.518 4.711 1.204 53 HG22 ILE 7 2HG2 ILE 7 0.548 5.871 0.297 54 HG23 ILE 7 3HG2 ILE 7 -0.217 4.456 1.019 55 HD11 ILE 7 1HD1 ILE 7 -1.481 7.413 0.361 56 HD12 ILE 7 2HD1 ILE 7 0.019 8.032 1.050 57 HD13 ILE 7 3HD1 ILE 7 -1.533 8.653 1.613 58 H ALA 8 H ALA 8 2.556 6.042 4.266 59 HA ALA 8 HA ALA 8 4.296 3.971 3.308 60 HB1 ALA 8 1HB ALA 8 5.271 5.534 5.613 61 HB2 ALA 8 2HB ALA 8 4.667 6.514 4.277 62 HB3 ALA 8 3HB ALA 8 5.966 5.354 4.002 63 H GLN 9 H GLN 9 2.922 4.679 6.490 64 HA GLN 9 HA GLN 9 4.216 2.514 7.870 65 HB2 GLN 9 2HB GLN 9 3.183 4.457 9.024 66 HB3 GLN 9 1HB GLN 9 1.593 3.902 8.501 67 HG2 GLN 9 2HG GLN 9 2.830 1.662 9.690 68 HG3 GLN 9 1HG GLN 9 3.163 3.023 10.762 69 HE21 GLN 9 1HE2 GLN 9 0.375 1.734 8.856 70 HE22 GLN 9 2HE2 GLN 9 -0.779 2.049 10.062 71 H PHE 10 H PHE 10 1.203 2.797 6.063 72 HA PHE 10 HA PHE 10 -0.032 0.381 6.868 73 HB2 PHE 10 2HB PHE 10 -1.066 2.209 5.488 74 HB3 PHE 10 1HB PHE 10 -0.127 1.635 4.113 75 HD1 PHE 10 1HD PHE 10 -0.676 -0.443 2.989 76 HD2 PHE 10 2HD PHE 10 -2.861 0.841 6.457 77 HE1 PHE 10 1HE PHE 10 -2.431 -2.130 2.509 78 HE2 PHE 10 2HE PHE 10 -4.613 -0.847 5.979 79 HZ PHE 10 HZ PHE 10 -4.398 -2.327 4.004 80 H VAL 11 H VAL 11 2.035 0.939 3.994 81 HA VAL 11 HA VAL 11 2.147 -1.898 3.395 82 HB VAL 11 HB VAL 11 3.860 -1.222 1.732 83 HG11 VAL 11 1HG1 VAL 11 1.673 0.833 1.611 84 HG12 VAL 11 2HG1 VAL 11 1.267 -0.881 1.516 85 HG13 VAL 11 3HG1 VAL 11 2.337 -0.160 0.313 86 HG21 VAL 11 1HG2 VAL 11 5.127 0.540 2.443 87 HG22 VAL 11 2HG2 VAL 11 3.816 1.214 3.410 88 HG23 VAL 11 3HG2 VAL 11 3.865 1.498 1.671 89 H VAL 12 H VAL 12 4.332 0.419 4.967 90 HA VAL 12 HA VAL 12 6.529 -1.380 5.294 91 HB VAL 12 HB VAL 12 5.742 0.990 6.993 92 HG11 VAL 12 1HG1 VAL 12 8.087 1.042 7.657 93 HG12 VAL 12 2HG1 VAL 12 8.443 -0.328 6.606 94 HG13 VAL 12 3HG1 VAL 12 7.424 -0.548 8.024 95 HG21 VAL 12 1HG2 VAL 12 6.795 2.358 5.462 96 HG22 VAL 12 2HG2 VAL 12 6.214 1.109 4.362 97 HG23 VAL 12 3HG2 VAL 12 7.886 1.082 4.921 98 H GLU 13 H GLU 13 3.695 -0.726 7.325 99 HA GLU 13 HA GLU 13 4.510 -2.109 9.649 100 HB2 GLU 13 2HB GLU 13 2.438 -0.751 9.496 101 HB3 GLU 13 1HB GLU 13 1.719 -2.014 8.504 102 HG2 GLU 13 2HG GLU 13 2.069 -3.637 10.350 103 HG3 GLU 13 1HG GLU 13 2.704 -2.325 11.343 104 H GLU 14 H GLU 14 3.339 -3.336 6.579 105 HA GLU 14 HA GLU 14 2.771 -6.004 7.460 106 HB2 GLU 14 2HB GLU 14 2.053 -5.043 5.262 107 HB3 GLU 14 1HB GLU 14 3.730 -5.129 4.721 108 HG2 GLU 14 2HG GLU 14 3.719 -7.577 5.184 109 HG3 GLU 14 1HG GLU 14 2.010 -7.461 5.603 110 H PHE 15 H PHE 15 5.760 -4.378 6.542 111 HA PHE 15 HA PHE 15 7.241 -6.770 7.496 112 HB2 PHE 15 2HB PHE 15 8.718 -6.789 5.579 113 HB3 PHE 15 1HB PHE 15 7.060 -6.884 4.987 114 HD1 PHE 15 1HD PHE 15 5.917 -4.752 4.200 115 HD2 PHE 15 2HD PHE 15 10.138 -4.987 4.959 116 HE1 PHE 15 1HE PHE 15 6.273 -2.700 2.853 117 HE2 PHE 15 2HE PHE 15 10.493 -2.933 3.616 118 HZ PHE 15 HZ PHE 15 8.560 -1.791 2.562 119 H LEU 16 H LEU 16 6.883 -4.414 8.943 120 HA LEU 16 HA LEU 16 9.132 -2.636 8.466 121 HB2 LEU 16 2HB LEU 16 8.192 -1.250 10.014 122 HB3 LEU 16 1HB LEU 16 6.774 -2.214 9.657 123 HG LEU 16 HG LEU 16 8.678 -2.650 11.986 124 HD11 LEU 16 1HD1 LEU 16 6.175 -1.137 11.602 125 HD12 LEU 16 2HD1 LEU 16 7.442 -0.939 12.813 126 HD13 LEU 16 3HD1 LEU 16 6.206 -2.179 13.025 127 HD21 LEU 16 1HD2 LEU 16 6.051 -3.957 12.034 128 HD22 LEU 16 2HD2 LEU 16 7.638 -4.631 12.395 129 HD23 LEU 16 3HD2 LEU 16 7.075 -4.548 10.731 130 HA PRO 17 HA PRO 17 11.955 -5.096 10.923 131 HB2 PRO 17 2HB PRO 17 14.060 -3.386 10.972 132 HB3 PRO 17 1HB PRO 17 13.586 -4.232 9.489 133 HG2 PRO 17 2HG PRO 17 13.014 -1.430 10.328 134 HG3 PRO 17 1HG PRO 17 13.501 -2.055 8.744 135 HD2 PRO 17 2HD PRO 17 10.904 -1.443 9.392 136 HD3 PRO 17 1HD PRO 17 11.360 -2.655 8.175 137 H ASP 18 H ASP 18 13.835 -3.608 12.680 138 HA ASP 18 HA ASP 18 12.035 -3.216 14.943 139 HB2 ASP 18 2HB ASP 18 14.092 -2.879 16.222 140 HB3 ASP 18 1HB ASP 18 14.270 -4.293 15.188 141 H VAL 19 H VAL 19 12.432 -1.349 12.419 142 HA VAL 19 HA VAL 19 12.723 1.201 13.960 143 HB VAL 19 HB VAL 19 13.016 0.760 10.975 144 HG11 VAL 19 1HG1 VAL 19 13.308 3.107 12.831 145 HG12 VAL 19 2HG1 VAL 19 12.508 3.021 11.261 146 HG13 VAL 19 3HG1 VAL 19 14.270 3.033 11.353 147 HG21 VAL 19 1HG2 VAL 19 14.882 -0.353 11.871 148 HG22 VAL 19 2HG2 VAL 19 14.993 0.741 13.249 149 HG23 VAL 19 3HG2 VAL 19 15.494 1.287 11.648 150 H ALA 20 H ALA 20 10.995 2.615 13.956 151 HA ALA 20 HA ALA 20 8.438 1.677 13.002 152 HB1 ALA 20 1HB ALA 20 7.554 3.449 14.167 153 HB2 ALA 20 2HB ALA 20 8.804 4.564 13.616 154 HB3 ALA 20 3HB ALA 20 9.148 3.427 14.920 155 HA PRO 21 HA PRO 21 8.676 2.982 8.720 156 HB2 PRO 21 2HB PRO 21 5.912 4.022 9.155 157 HB3 PRO 21 1HB PRO 21 6.525 2.941 7.890 158 HG2 PRO 21 2HG PRO 21 5.065 2.052 9.951 159 HG3 PRO 21 1HG PRO 21 6.339 1.083 9.196 160 HD2 PRO 21 2HD PRO 21 6.323 2.400 11.850 161 HD3 PRO 21 1HD PRO 21 7.270 1.010 11.271 162 H ALA 22 H ALA 22 7.460 5.180 11.200 163 HA ALA 22 HA ALA 22 7.630 7.594 9.650 164 HB1 ALA 22 1HB ALA 22 8.066 8.450 12.200 165 HB2 ALA 22 2HB ALA 22 7.335 6.875 12.509 166 HB3 ALA 22 3HB ALA 22 6.466 8.080 11.556 167 H ASP 23 H ASP 23 9.991 5.615 11.238 168 HA ASP 23 HA ASP 23 12.055 7.741 11.005 169 HB2 ASP 23 2HB ASP 23 12.108 5.004 12.309 170 HB3 ASP 23 1HB ASP 23 13.494 6.094 12.240 171 H VAL 24 H VAL 24 10.706 5.534 9.039 172 HA VAL 24 HA VAL 24 13.279 4.711 7.775 173 HB VAL 24 HB VAL 24 10.460 3.713 7.252 174 HG11 VAL 24 1HG1 VAL 24 11.893 1.808 6.202 175 HG12 VAL 24 2HG1 VAL 24 13.186 3.007 6.177 176 HG13 VAL 24 3HG1 VAL 24 11.692 3.303 5.288 177 HG21 VAL 24 1HG2 VAL 24 12.738 2.665 8.945 178 HG22 VAL 24 2HG2 VAL 24 11.440 1.619 8.370 179 HG23 VAL 24 3HG2 VAL 24 11.073 2.975 9.437 180 H ASP 25 H ASP 25 13.791 5.499 5.746 181 HA ASP 25 HA ASP 25 12.475 7.860 4.813 182 HB2 ASP 25 2HB ASP 25 14.384 5.970 3.406 183 HB3 ASP 25 1HB ASP 25 13.882 7.532 2.758 184 H VAL 26 H VAL 26 10.300 7.576 4.347 185 HA VAL 26 HA VAL 26 9.167 5.323 3.008 186 HB VAL 26 HB VAL 26 7.212 6.727 2.663 187 HG11 VAL 26 1HG1 VAL 26 6.795 7.374 4.927 188 HG12 VAL 26 2HG1 VAL 26 8.509 7.651 5.236 189 HG13 VAL 26 3HG1 VAL 26 7.908 6.008 5.015 190 HG21 VAL 26 1HG2 VAL 26 9.272 8.853 2.746 191 HG22 VAL 26 2HG2 VAL 26 7.765 9.241 3.576 192 HG23 VAL 26 3HG2 VAL 26 7.743 8.802 1.869 193 H ASP 27 H ASP 27 11.504 7.205 1.792 194 HA ASP 27 HA ASP 27 10.382 7.584 -0.909 195 HB2 ASP 27 2HB ASP 27 13.134 8.119 0.251 196 HB3 ASP 27 1HB ASP 27 12.675 8.472 -1.416 197 H LEU 28 H LEU 28 11.191 4.933 0.642 198 HA LEU 28 HA LEU 28 13.126 3.751 -1.219 199 HB2 LEU 28 2HB LEU 28 13.005 3.103 1.196 200 HB3 LEU 28 1HB LEU 28 11.418 2.403 0.888 201 HG LEU 28 HG LEU 28 12.480 0.957 -0.881 202 HD11 LEU 28 1HD1 LEU 28 15.070 0.734 -0.359 203 HD12 LEU 28 2HD1 LEU 28 14.892 2.414 0.143 204 HD13 LEU 28 3HD1 LEU 28 14.489 1.939 -1.506 205 HD21 LEU 28 1HD2 LEU 28 13.579 0.712 1.938 206 HD22 LEU 28 2HD2 LEU 28 13.520 -0.591 0.751 207 HD23 LEU 28 3HD2 LEU 28 12.023 0.096 1.382 208 H ASP 29 H ASP 29 12.616 2.630 -3.037 209 HA ASP 29 HA ASP 29 9.912 2.640 -4.008 210 HB2 ASP 29 2HB ASP 29 12.370 1.141 -4.961 211 HB3 ASP 29 1HB ASP 29 10.841 1.193 -5.840 212 H LEU 30 H LEU 30 8.326 1.253 -3.446 213 HA LEU 30 HA LEU 30 8.753 -0.948 -1.683 214 HB2 LEU 30 2HB LEU 30 6.400 -0.475 -3.545 215 HB3 LEU 30 1HB LEU 30 6.407 -1.526 -2.129 216 HG LEU 30 HG LEU 30 6.794 1.482 -2.133 217 HD11 LEU 30 1HD1 LEU 30 4.486 -0.249 -1.951 218 HD12 LEU 30 2HD1 LEU 30 4.547 1.513 -1.974 219 HD13 LEU 30 3HD1 LEU 30 4.689 0.646 -0.445 220 HD21 LEU 30 1HD2 LEU 30 6.536 0.940 0.443 221 HD22 LEU 30 2HD2 LEU 30 8.114 0.806 -0.333 222 HD23 LEU 30 3HD2 LEU 30 7.151 -0.641 -0.040 223 H VAL 31 H VAL 31 9.376 -0.665 -4.998 224 HA VAL 31 HA VAL 31 8.641 -3.127 -6.097 225 HB VAL 31 HB VAL 31 9.914 -1.194 -7.217 226 HG11 VAL 31 1HG1 VAL 31 12.329 -2.772 -6.309 227 HG12 VAL 31 2HG1 VAL 31 11.770 -1.333 -5.456 228 HG13 VAL 31 3HG1 VAL 31 12.298 -1.214 -7.135 229 HG21 VAL 31 1HG2 VAL 31 10.426 -4.127 -7.627 230 HG22 VAL 31 2HG2 VAL 31 11.271 -2.953 -8.638 231 HG23 VAL 31 3HG2 VAL 31 9.507 -3.006 -8.633 232 H ASP 32 H ASP 32 11.387 -2.404 -3.971 233 HA ASP 32 HA ASP 32 12.644 -4.958 -4.083 234 HB2 ASP 32 2HB ASP 32 12.419 -2.982 -1.788 235 HB3 ASP 32 1HB ASP 32 13.482 -4.389 -1.778 236 H ASN 33 H ASN 33 9.918 -3.734 -2.229 237 HA ASN 33 HA ASN 33 9.511 -6.310 -0.866 238 HB2 ASN 33 2HB ASN 33 7.835 -3.790 -0.855 239 HB3 ASN 33 1HB ASN 33 7.610 -5.178 0.207 240 HD21 ASN 33 1HD2 ASN 33 9.433 -2.258 -0.272 241 HD22 ASN 33 2HD2 ASN 33 10.450 -2.425 1.075 242 H GLY 34 H GLY 34 9.208 -5.630 -3.895 243 HA2 GLY 34 2HA GLY 34 6.640 -5.706 -4.854 244 HA3 GLY 34 1HA GLY 34 7.924 -6.671 -5.583 245 H VAL 35 H VAL 35 8.079 -8.095 -2.810 246 HA VAL 35 HA VAL 35 6.623 -10.411 -3.490 247 HB VAL 35 HB VAL 35 8.366 -10.063 -1.602 248 HG11 VAL 35 1HG1 VAL 35 7.551 -9.431 0.530 249 HG12 VAL 35 2HG1 VAL 35 5.870 -9.606 0.025 250 HG13 VAL 35 3HG1 VAL 35 6.835 -8.262 -0.580 251 HG21 VAL 35 1HG2 VAL 35 6.751 -11.762 -0.165 252 HG22 VAL 35 2HG2 VAL 35 7.729 -12.251 -1.548 253 HG23 VAL 35 3HG2 VAL 35 6.025 -11.855 -1.770 254 H ILE 36 H ILE 36 5.641 -7.509 -1.768 255 HA ILE 36 HA ILE 36 3.032 -8.468 -0.964 256 HB ILE 36 HB ILE 36 4.405 -6.410 -0.119 257 HG12 ILE 36 2HG1 ILE 36 1.427 -6.273 -0.688 258 HG13 ILE 36 1HG1 ILE 36 2.193 -6.970 0.738 259 HG21 ILE 36 1HG2 ILE 36 2.774 -5.012 -2.236 260 HG22 ILE 36 2HG2 ILE 36 4.432 -5.523 -2.557 261 HG23 ILE 36 3HG2 ILE 36 4.101 -4.369 -1.267 262 HD11 ILE 36 1HD1 ILE 36 3.176 -4.719 1.245 263 HD12 ILE 36 2HD1 ILE 36 1.413 -4.741 1.304 264 HD13 ILE 36 3HD1 ILE 36 2.239 -4.058 -0.095 265 H ASP 37 H ASP 37 4.350 -7.112 -3.887 266 HA ASP 37 HA ASP 37 1.956 -6.110 -5.052 267 HB2 ASP 37 2HB ASP 37 4.418 -7.259 -6.386 268 HB3 ASP 37 1HB ASP 37 3.145 -6.375 -7.224 269 H SER 38 H SER 38 3.196 -9.411 -4.850 270 HA SER 38 HA SER 38 0.979 -10.297 -6.628 271 HB2 SER 38 2HB SER 38 3.581 -11.535 -5.786 272 HB3 SER 38 1HB SER 38 2.277 -12.540 -6.412 273 H LEU 39 H LEU 39 2.566 -11.661 -3.721 274 HA LEU 39 HA LEU 39 0.170 -13.106 -3.013 275 HB2 LEU 39 2HB LEU 39 2.729 -12.575 -1.515 276 HB3 LEU 39 1HB LEU 39 1.440 -13.592 -0.883 277 HG LEU 39 HG LEU 39 1.662 -14.780 -3.235 278 HD11 LEU 39 1HD1 LEU 39 3.281 -13.268 -4.217 279 HD12 LEU 39 2HD1 LEU 39 4.080 -14.812 -3.926 280 HD13 LEU 39 3HD1 LEU 39 4.359 -13.458 -2.835 281 HD21 LEU 39 1HD2 LEU 39 3.443 -16.261 -2.199 282 HD22 LEU 39 2HD2 LEU 39 2.040 -15.958 -1.174 283 HD23 LEU 39 3HD2 LEU 39 3.547 -15.088 -0.887 284 H GLY 40 H GLY 40 1.817 -10.346 -1.460 285 HA2 GLY 40 2HA GLY 40 -0.206 -9.956 0.524 286 HA3 GLY 40 1HA GLY 40 0.975 -8.746 0.031 287 H LEU 41 H LEU 41 0.249 -8.617 -2.717 288 HA LEU 41 HA LEU 41 -1.838 -6.685 -2.616 289 HB2 LEU 41 2HB LEU 41 -0.091 -6.882 -4.418 290 HB3 LEU 41 1HB LEU 41 -0.963 -8.283 -5.034 291 HG LEU 41 HG LEU 41 -2.623 -5.871 -4.580 292 HD11 LEU 41 1HD1 LEU 41 -1.851 -4.759 -6.618 293 HD12 LEU 41 2HD1 LEU 41 -0.617 -5.998 -6.852 294 HD13 LEU 41 3HD1 LEU 41 -0.514 -4.898 -5.477 295 HD21 LEU 41 1HD2 LEU 41 -3.515 -6.601 -6.793 296 HD22 LEU 41 2HD2 LEU 41 -3.528 -7.906 -5.610 297 HD23 LEU 41 3HD2 LEU 41 -2.279 -7.856 -6.852 298 H LEU 42 H LEU 42 -1.869 -10.115 -3.549 299 HA LEU 42 HA LEU 42 -4.576 -10.214 -4.417 300 HB2 LEU 42 2HB LEU 42 -2.642 -12.048 -4.373 301 HB3 LEU 42 1HB LEU 42 -3.434 -12.506 -2.873 302 HG LEU 42 HG LEU 42 -4.429 -13.799 -4.647 303 HD11 LEU 42 1HD1 LEU 42 -5.905 -12.655 -2.859 304 HD12 LEU 42 2HD1 LEU 42 -6.710 -13.299 -4.289 305 HD13 LEU 42 3HD1 LEU 42 -6.399 -11.568 -4.159 306 HD21 LEU 42 1HD2 LEU 42 -5.650 -11.659 -6.165 307 HD22 LEU 42 2HD2 LEU 42 -4.649 -12.993 -6.735 308 HD23 LEU 42 3HD2 LEU 42 -3.895 -11.503 -6.173 309 H LYS 43 H LYS 43 -3.158 -10.643 -1.175 310 HA LYS 43 HA LYS 43 -5.665 -11.114 0.144 311 HB2 LYS 43 2HB LYS 43 -3.044 -10.028 1.186 312 HB3 LYS 43 1HB LYS 43 -4.393 -10.519 2.203 313 HG2 LYS 43 2HG LYS 43 -4.279 -12.796 1.181 314 HG3 LYS 43 1HG LYS 43 -2.845 -12.287 0.289 315 HD2 LYS 43 2HD LYS 43 -1.739 -11.743 2.464 316 HD3 LYS 43 1HD LYS 43 -3.146 -12.395 3.304 317 HE2 LYS 43 2HE LYS 43 -2.786 -14.582 2.230 318 HE3 LYS 43 1HE LYS 43 -1.390 -13.935 1.368 319 HZ1 LYS 43 1HZ LYS 43 -0.175 -14.476 3.121 320 HZ2 LYS 43 2HZ LYS 43 -1.548 -14.924 4.015 321 HZ3 LYS 43 3HZ LYS 43 -1.010 -13.313 4.031 322 H VAL 44 H VAL 44 -3.797 -8.194 -0.587 323 HA VAL 44 HA VAL 44 -5.418 -6.390 0.955 324 HB VAL 44 HB VAL 44 -3.656 -5.921 -1.460 325 HG11 VAL 44 1HG1 VAL 44 -5.064 -4.001 0.410 326 HG12 VAL 44 2HG1 VAL 44 -5.213 -4.093 -1.345 327 HG13 VAL 44 3HG1 VAL 44 -3.709 -3.529 -0.616 328 HG21 VAL 44 1HG2 VAL 44 -1.930 -5.768 0.013 329 HG22 VAL 44 2HG2 VAL 44 -2.985 -6.669 1.102 330 HG23 VAL 44 3HG2 VAL 44 -2.907 -4.911 1.205 331 H ILE 45 H ILE 45 -5.513 -7.193 -2.546 332 HA ILE 45 HA ILE 45 -7.662 -5.437 -3.155 333 HB ILE 45 HB ILE 45 -6.962 -8.091 -4.447 334 HG12 ILE 45 2HG1 ILE 45 -5.050 -6.594 -4.522 335 HG13 ILE 45 1HG1 ILE 45 -5.793 -6.613 -6.115 336 HG21 ILE 45 1HG2 ILE 45 -8.755 -7.728 -5.737 337 HG22 ILE 45 2HG2 ILE 45 -8.036 -6.209 -6.271 338 HG23 ILE 45 3HG2 ILE 45 -9.103 -6.235 -4.868 339 HD11 ILE 45 1HD1 ILE 45 -7.142 -4.554 -5.191 340 HD12 ILE 45 2HD1 ILE 45 -5.493 -4.330 -5.771 341 HD13 ILE 45 3HD1 ILE 45 -5.810 -4.447 -4.040 342 H ALA 46 H ALA 46 -7.692 -8.851 -2.125 343 HA ALA 46 HA ALA 46 -10.548 -9.132 -2.296 344 HB1 ALA 46 1HB ALA 46 -10.018 -11.007 -0.534 345 HB2 ALA 46 2HB ALA 46 -8.339 -10.616 -0.905 346 HB3 ALA 46 3HB ALA 46 -9.419 -11.172 -2.185 347 H TRP 47 H TRP 47 -8.386 -8.342 0.432 348 HA TRP 47 HA TRP 47 -10.606 -8.023 2.286 349 HB2 TRP 47 2HB TRP 47 -8.682 -8.605 3.417 350 HB3 TRP 47 1HB TRP 47 -7.650 -7.626 2.377 351 HD1 TRP 47 HD TRP 47 -10.747 -6.571 4.455 352 HE1 TRP 47 1HE TRP 47 -10.034 -4.607 5.969 353 HE3 TRP 47 3HE TRP 47 -5.811 -6.324 3.276 354 HZ2 TRP 47 2HZ TRP 47 -7.658 -3.125 6.597 355 HZ3 TRP 47 3HZ TRP 47 -4.331 -4.637 4.338 356 HH2 TRP 47 HH TRP 47 -5.251 -3.040 5.995 357 H LEU 48 H LEU 48 -8.408 -5.782 0.610 358 HA LEU 48 HA LEU 48 -9.444 -3.373 1.651 359 HB2 LEU 48 2HB LEU 48 -7.384 -3.615 0.227 360 HB3 LEU 48 1HB LEU 48 -8.432 -3.811 -1.168 361 HG LEU 48 HG LEU 48 -9.507 -1.577 -0.351 362 HD11 LEU 48 1HD1 LEU 48 -7.706 -1.916 1.681 363 HD12 LEU 48 2HD1 LEU 48 -8.398 -0.363 1.218 364 HD13 LEU 48 3HD1 LEU 48 -6.818 -0.844 0.602 365 HD21 LEU 48 1HD2 LEU 48 -8.505 -1.269 -2.384 366 HD22 LEU 48 2HD2 LEU 48 -7.050 -2.144 -1.906 367 HD23 LEU 48 3HD2 LEU 48 -7.266 -0.460 -1.426 368 H GLU 49 H GLU 49 -10.546 -5.297 -1.145 369 HA GLU 49 HA GLU 49 -12.531 -3.442 -2.025 370 HB2 GLU 49 2HB GLU 49 -12.217 -5.113 -3.593 371 HB3 GLU 49 1HB GLU 49 -12.060 -6.373 -2.381 372 HG2 GLU 49 2HG GLU 49 -14.429 -6.411 -1.997 373 HG3 GLU 49 1HG GLU 49 -14.667 -4.969 -2.976 374 H ASP 50 H ASP 50 -12.661 -6.096 0.339 375 HA ASP 50 HA ASP 50 -15.457 -5.789 0.933 376 HB2 ASP 50 2HB ASP 50 -14.016 -7.781 1.525 377 HB3 ASP 50 1HB ASP 50 -13.308 -6.793 2.801 378 H ARG 51 H ARG 51 -12.521 -4.328 2.239 379 HA ARG 51 HA ARG 51 -13.643 -3.068 4.516 380 HB2 ARG 51 2HB ARG 51 -11.212 -3.235 4.046 381 HB3 ARG 51 1HB ARG 51 -11.400 -2.049 2.753 382 HG2 ARG 51 2HG ARG 51 -12.263 -0.410 4.404 383 HG3 ARG 51 1HG ARG 51 -12.008 -1.591 5.689 384 HD2 ARG 51 2HD ARG 51 -9.593 -1.670 5.106 385 HD3 ARG 51 1HD ARG 51 -9.866 -0.431 3.885 386 HE ARG 51 HE ARG 51 -10.099 1.185 5.623 387 HH11 ARG 51 1HH1 ARG 51 -9.796 1.800 7.774 388 HH12 ARG 51 2HH1 ARG 51 -9.633 0.583 8.995 389 HH21 ARG 51 1HH2 ARG 51 -9.955 -2.063 6.780 390 HH22 ARG 51 2HH2 ARG 51 -9.723 -1.603 8.432 391 H PHE 52 H PHE 52 -13.300 -1.776 1.178 392 HA PHE 52 HA PHE 52 -15.207 0.383 1.981 393 HB2 PHE 52 2HB PHE 52 -12.862 0.372 0.093 394 HB3 PHE 52 1HB PHE 52 -14.142 1.573 -0.052 395 HD1 PHE 52 1HD PHE 52 -14.712 3.021 1.943 396 HD2 PHE 52 2HD PHE 52 -11.220 0.524 1.816 397 HE1 PHE 52 1HE PHE 52 -13.723 4.309 3.817 398 HE2 PHE 52 2HE PHE 52 -10.231 1.815 3.689 399 HZ PHE 52 HZ PHE 52 -11.484 3.706 4.691 400 H GLY 53 H GLY 53 -15.109 -2.450 0.281 401 HA2 GLY 53 2HA GLY 53 -16.668 -3.354 -1.238 402 HA3 GLY 53 1HA GLY 53 -17.588 -1.857 -1.087 403 H ILE 54 H ILE 54 -14.213 -2.216 -2.146 404 HA ILE 54 HA ILE 54 -14.931 -0.745 -4.622 405 HB ILE 54 HB ILE 54 -12.206 -1.510 -3.530 406 HG12 ILE 54 2HG1 ILE 54 -13.621 1.169 -3.415 407 HG13 ILE 54 1HG1 ILE 54 -13.582 0.030 -2.067 408 HG21 ILE 54 1HG2 ILE 54 -13.119 -0.363 -6.025 409 HG22 ILE 54 2HG2 ILE 54 -11.480 -0.806 -5.543 410 HG23 ILE 54 3HG2 ILE 54 -12.113 0.795 -5.154 411 HD11 ILE 54 1HD1 ILE 54 -11.111 1.133 -3.432 412 HD12 ILE 54 2HD1 ILE 54 -11.160 0.132 -1.980 413 HD13 ILE 54 3HD1 ILE 54 -11.789 1.779 -1.937 414 H ALA 55 H ALA 55 -14.668 -1.670 -6.671 415 HA ALA 55 HA ALA 55 -14.847 -4.506 -6.900 416 HB1 ALA 55 1HB ALA 55 -15.256 -2.399 -8.605 417 HB2 ALA 55 2HB ALA 55 -15.214 -4.089 -9.107 418 HB3 ALA 55 3HB ALA 55 -13.769 -3.089 -9.254 419 H ALA 56 H ALA 56 -13.287 -6.067 -7.308 420 HA ALA 56 HA ALA 56 -10.612 -5.583 -6.446 421 HB1 ALA 56 1HB ALA 56 -10.168 -7.850 -7.540 422 HB2 ALA 56 2HB ALA 56 -11.862 -7.839 -8.029 423 HB3 ALA 56 3HB ALA 56 -11.438 -7.825 -6.317 424 H ASP 57 H ASP 57 -12.129 -5.503 -9.617 425 HA ASP 57 HA ASP 57 -9.524 -5.139 -10.961 426 HB2 ASP 57 2HB ASP 57 -12.357 -5.222 -12.011 427 HB3 ASP 57 1HB ASP 57 -10.934 -5.012 -13.028 428 H ASP 58 H ASP 58 -11.232 -3.181 -9.106 429 HA ASP 58 HA ASP 58 -11.918 -0.886 -10.569 430 HB2 ASP 58 2HB ASP 58 -12.243 -1.247 -8.091 431 HB3 ASP 58 1HB ASP 58 -10.537 -0.858 -7.884 432 H VAL 59 H VAL 59 -8.735 -2.034 -9.575 433 HA VAL 59 HA VAL 59 -7.535 0.185 -11.191 434 HB VAL 59 HB VAL 59 -5.654 0.233 -9.642 435 HG11 VAL 59 1HG1 VAL 59 -7.749 1.547 -9.130 436 HG12 VAL 59 2HG1 VAL 59 -6.766 1.174 -7.714 437 HG13 VAL 59 3HG1 VAL 59 -8.228 0.244 -8.043 438 HG21 VAL 59 1HG2 VAL 59 -5.247 -1.806 -8.693 439 HG22 VAL 59 2HG2 VAL 59 -6.952 -2.253 -8.688 440 HG23 VAL 59 3HG2 VAL 59 -6.312 -1.206 -7.421 441 H GLU 60 H GLU 60 -5.465 -0.400 -12.207 442 HA GLU 60 HA GLU 60 -5.469 -3.246 -13.032 443 HB2 GLU 60 2HB GLU 60 -3.890 -0.877 -14.079 444 HB3 GLU 60 1HB GLU 60 -3.897 -2.488 -14.786 445 HG2 GLU 60 2HG GLU 60 -6.342 -2.298 -15.129 446 HG3 GLU 60 1HG GLU 60 -6.281 -0.656 -14.499 447 H LEU 61 H LEU 61 -3.556 -4.548 -12.864 448 HA LEU 61 HA LEU 61 -1.790 -3.707 -10.635 449 HB2 LEU 61 2HB LEU 61 -2.191 -6.409 -11.946 450 HB3 LEU 61 1HB LEU 61 -1.134 -6.102 -10.571 451 HG LEU 61 HG LEU 61 -3.119 -5.247 -9.313 452 HD11 LEU 61 1HD1 LEU 61 -4.403 -5.880 -11.925 453 HD12 LEU 61 2HD1 LEU 61 -4.792 -4.616 -10.760 454 HD13 LEU 61 3HD1 LEU 61 -5.319 -6.273 -10.471 455 HD21 LEU 61 1HD2 LEU 61 -2.308 -7.604 -9.124 456 HD22 LEU 61 2HD2 LEU 61 -3.444 -8.062 -10.391 457 HD23 LEU 61 3HD2 LEU 61 -4.044 -7.458 -8.847 458 H SER 62 H SER 62 0.340 -3.226 -10.984 459 HA SER 62 HA SER 62 1.840 -4.335 -13.194 460 HB2 SER 62 2HB SER 62 0.320 -2.069 -13.812 461 HB3 SER 62 1HB SER 62 1.946 -1.447 -13.542 462 HG SER 62 HG SER 62 1.220 -2.402 -15.723 463 HA PRO 63 HA PRO 63 4.983 -3.374 -10.202 464 HB2 PRO 63 2HB PRO 63 7.179 -3.250 -11.891 465 HB3 PRO 63 1HB PRO 63 6.488 -4.746 -11.239 466 HG2 PRO 63 2HG PRO 63 6.165 -3.521 -13.919 467 HG3 PRO 63 1HG PRO 63 6.241 -5.228 -13.454 468 HD2 PRO 63 2HD PRO 63 3.902 -3.978 -14.092 469 HD3 PRO 63 1HD PRO 63 3.988 -5.331 -12.943 470 H GLU 64 H GLU 64 4.556 -1.381 -13.041 471 HA GLU 64 HA GLU 64 6.354 0.736 -12.356 472 HB2 GLU 64 2HB GLU 64 3.804 0.771 -13.967 473 HB3 GLU 64 1HB GLU 64 4.954 2.098 -13.899 474 HG2 GLU 64 2HG GLU 64 6.717 0.579 -14.741 475 HG3 GLU 64 1HG GLU 64 5.520 -0.703 -14.877 476 H HIS 65 H HIS 65 3.049 0.017 -11.390 477 HA HIS 65 HA HIS 65 2.522 2.601 -10.207 478 HB2 HIS 65 2HB HIS 65 0.729 1.059 -10.926 479 HB3 HIS 65 1HB HIS 65 1.208 -0.072 -9.661 480 HD1 HIS 65 1HD HIS 65 0.257 3.629 -9.871 481 HD2 HIS 65 2HD HIS 65 -0.213 0.347 -7.337 482 HE1 HIS 65 1HE HIS 65 -1.175 4.416 -7.933 483 HE2 HIS 65 2HE HIS 65 -1.467 2.428 -6.386 484 H PHE 66 H PHE 66 4.077 -0.314 -9.013 485 HA PHE 66 HA PHE 66 3.943 0.730 -6.237 486 HB2 PHE 66 2HB PHE 66 4.966 -1.901 -7.336 487 HB3 PHE 66 1HB PHE 66 4.923 -1.473 -5.625 488 HD1 PHE 66 1HD PHE 66 2.958 -2.489 -8.532 489 HD2 PHE 66 2HD PHE 66 2.750 -1.080 -4.479 490 HE1 PHE 66 1HE PHE 66 0.575 -3.166 -8.418 491 HE2 PHE 66 2HE PHE 66 0.367 -1.758 -4.366 492 HZ PHE 66 HZ PHE 66 -0.720 -2.797 -6.336 493 H ARG 67 H ARG 67 5.834 1.519 -8.689 494 HA ARG 67 HA ARG 67 8.500 0.964 -7.881 495 HB2 ARG 67 2HB ARG 67 7.413 3.430 -9.271 496 HB3 ARG 67 1HB ARG 67 9.112 2.966 -9.201 497 HG2 ARG 67 2HG ARG 67 7.043 1.062 -10.247 498 HG3 ARG 67 1HG ARG 67 7.748 2.283 -11.304 499 HD2 ARG 67 2HD ARG 67 10.029 1.410 -10.598 500 HD3 ARG 67 1HD ARG 67 9.191 0.067 -9.821 501 HE ARG 67 HE ARG 67 8.202 0.123 -12.432 502 HH11 ARG 67 1HH1 ARG 67 9.128 -1.136 -14.064 503 HH12 ARG 67 2HH1 ARG 67 10.773 -1.659 -13.909 504 HH21 ARG 67 1HH2 ARG 67 11.251 -0.115 -10.842 505 HH22 ARG 67 2HH2 ARG 67 11.975 -1.081 -12.084 506 H SER 68 H SER 68 6.228 3.440 -6.762 507 HA SER 68 HA SER 68 8.067 3.945 -4.490 508 HB2 SER 68 2HB SER 68 7.981 6.350 -4.752 509 HB3 SER 68 1HB SER 68 8.544 5.658 -6.270 510 HG SER 68 HG SER 68 5.809 5.871 -6.033 511 H ILE 69 H ILE 69 6.973 4.760 -2.615 512 HA ILE 69 HA ILE 69 4.252 3.916 -2.321 513 HB ILE 69 HB ILE 69 5.901 5.775 -0.584 514 HG12 ILE 69 2HG1 ILE 69 5.444 2.804 -0.307 515 HG13 ILE 69 1HG1 ILE 69 6.880 3.496 -1.049 516 HG21 ILE 69 1HG2 ILE 69 4.067 5.911 0.692 517 HG22 ILE 69 2HG2 ILE 69 4.071 4.155 0.852 518 HG23 ILE 69 3HG2 ILE 69 3.181 4.919 -0.465 519 HD11 ILE 69 1HD1 ILE 69 7.774 4.048 0.954 520 HD12 ILE 69 2HD1 ILE 69 6.556 2.983 1.655 521 HD13 ILE 69 3HD1 ILE 69 6.246 4.715 1.533 522 H ARG 70 H ARG 70 5.761 7.065 -2.901 523 HA ARG 70 HA ARG 70 3.487 8.703 -2.447 524 HB2 ARG 70 2HB ARG 70 5.813 9.542 -2.757 525 HB3 ARG 70 1HB ARG 70 5.698 9.144 -4.472 526 HG2 ARG 70 2HG ARG 70 3.795 10.679 -4.720 527 HG3 ARG 70 1HG ARG 70 3.864 11.056 -2.999 528 HD2 ARG 70 2HD ARG 70 5.023 12.819 -4.176 529 HD3 ARG 70 1HD ARG 70 6.236 11.842 -3.349 530 HE ARG 70 HE ARG 70 5.997 10.726 -5.907 531 HH11 ARG 70 1HH1 ARG 70 7.380 11.348 -7.581 532 HH12 ARG 70 2HH1 ARG 70 8.168 12.890 -7.509 533 HH21 ARG 70 1HH2 ARG 70 6.743 13.770 -4.472 534 HH22 ARG 70 2HH2 ARG 70 7.806 14.261 -5.748 535 H SER 71 H SER 71 4.520 6.969 -5.385 536 HA SER 71 HA SER 71 2.651 8.110 -7.179 537 HB2 SER 71 2HB SER 71 3.610 5.237 -7.146 538 HB3 SER 71 1HB SER 71 2.988 6.121 -8.533 539 HG SER 71 HG SER 71 4.763 7.521 -8.355 540 H ILE 72 H ILE 72 2.295 5.333 -4.971 541 HA ILE 72 HA ILE 72 -0.367 4.666 -5.809 542 HB ILE 72 HB ILE 72 1.027 4.165 -3.164 543 HG12 ILE 72 2HG1 ILE 72 0.768 2.394 -5.615 544 HG13 ILE 72 1HG1 ILE 72 2.221 3.299 -5.190 545 HG21 ILE 72 1HG2 ILE 72 -0.779 2.110 -3.832 546 HG22 ILE 72 2HG2 ILE 72 -1.638 3.622 -4.125 547 HG23 ILE 72 3HG2 ILE 72 -0.945 3.294 -2.538 548 HD11 ILE 72 1HD1 ILE 72 1.947 2.088 -2.869 549 HD12 ILE 72 2HD1 ILE 72 2.676 1.226 -4.223 550 HD13 ILE 72 3HD1 ILE 72 0.986 0.940 -3.802 551 H ASP 73 H ASP 73 0.926 6.773 -3.261 552 HA ASP 73 HA ASP 73 -1.511 7.336 -1.925 553 HB2 ASP 73 2HB ASP 73 0.754 8.000 -1.115 554 HB3 ASP 73 1HB ASP 73 0.806 9.238 -2.370 555 H ALA 74 H ALA 74 -0.055 8.911 -4.774 556 HA ALA 74 HA ALA 74 -2.025 10.986 -4.955 557 HB1 ALA 74 1HB ALA 74 -1.052 10.265 -7.562 558 HB2 ALA 74 2HB ALA 74 0.278 10.182 -6.407 559 HB3 ALA 74 3HB ALA 74 -0.641 11.677 -6.588 560 H PHE 75 H PHE 75 -1.830 7.772 -6.476 561 HA PHE 75 HA PHE 75 -4.181 8.060 -8.070 562 HB2 PHE 75 2HB PHE 75 -2.513 6.223 -8.332 563 HB3 PHE 75 1HB PHE 75 -3.111 5.519 -6.832 564 HD1 PHE 75 1HD PHE 75 -5.328 4.508 -6.696 565 HD2 PHE 75 2HD PHE 75 -3.897 6.245 -10.355 566 HE1 PHE 75 1HE PHE 75 -7.172 3.410 -7.939 567 HE2 PHE 75 2HE PHE 75 -5.740 5.146 -11.598 568 HZ PHE 75 HZ PHE 75 -7.378 3.728 -10.390 569 H VAL 76 H VAL 76 -3.748 6.645 -4.813 570 HA VAL 76 HA VAL 76 -6.519 6.073 -4.417 571 HB VAL 76 HB VAL 76 -4.253 6.558 -2.467 572 HG11 VAL 76 1HG1 VAL 76 -7.143 5.857 -2.071 573 HG12 VAL 76 2HG1 VAL 76 -6.126 6.954 -1.138 574 HG13 VAL 76 3HG1 VAL 76 -5.929 5.210 -0.968 575 HG21 VAL 76 1HG2 VAL 76 -4.601 4.492 -4.200 576 HG22 VAL 76 2HG2 VAL 76 -5.544 3.909 -2.828 577 HG23 VAL 76 3HG2 VAL 76 -3.840 4.310 -2.619 578 H VAL 77 H VAL 77 -4.509 8.880 -3.436 579 HA VAL 77 HA VAL 77 -6.569 10.290 -2.084 580 HB VAL 77 HB VAL 77 -4.109 11.214 -3.580 581 HG11 VAL 77 1HG1 VAL 77 -5.533 13.096 -3.695 582 HG12 VAL 77 2HG1 VAL 77 -4.564 13.375 -2.248 583 HG13 VAL 77 3HG1 VAL 77 -6.219 12.781 -2.102 584 HG21 VAL 77 1HG2 VAL 77 -4.188 9.893 -1.277 585 HG22 VAL 77 2HG2 VAL 77 -4.604 11.483 -0.633 586 HG23 VAL 77 3HG2 VAL 77 -3.081 11.250 -1.493 587 H GLY 78 H GLY 78 -5.650 10.204 -5.504 588 HA2 GLY 78 2HA GLY 78 -7.321 12.287 -6.437 589 HA3 GLY 78 1HA GLY 78 -6.824 10.901 -7.406 590 H ALA 79 H ALA 79 -8.106 8.932 -5.599 591 HA ALA 79 HA ALA 79 -10.908 9.432 -6.487 592 HB1 ALA 79 1HB ALA 79 -9.452 7.318 -7.113 593 HB2 ALA 79 2HB ALA 79 -11.170 7.144 -6.753 594 HB3 ALA 79 3HB ALA 79 -9.967 6.762 -5.520 595 H THR 80 H THR 80 -9.118 8.074 -3.711 596 HA THR 80 HA THR 80 -11.008 9.345 -1.870 597 HB THR 80 HB THR 80 -12.090 7.151 -2.626 598 HG1 THR 80 1HG THR 80 -11.536 7.972 -0.029 599 HG21 THR 80 1HG2 THR 80 -10.359 5.688 -0.729 600 HG22 THR 80 2HG2 THR 80 -9.602 6.108 -2.265 601 HG23 THR 80 3HG2 THR 80 -11.080 5.148 -2.244 602 H THR 81 H THR 81 -10.177 9.385 0.286 603 HA THR 81 HA THR 81 -7.423 8.266 0.587 604 HB THR 81 HB THR 81 -7.366 10.707 0.224 605 HG1 THR 81 1HG THR 81 -6.784 10.810 2.836 606 HG21 THR 81 1HG2 THR 81 -9.726 10.682 1.690 607 HG22 THR 81 2HG2 THR 81 -8.824 12.120 1.212 608 HG23 THR 81 3HG2 THR 81 -8.560 11.401 2.801 609 HA PRO 82 HA PRO 82 -9.906 6.832 4.162 610 HB2 PRO 82 2HB PRO 82 -9.385 4.214 3.956 611 HB3 PRO 82 1HB PRO 82 -10.525 5.014 2.855 612 HG2 PRO 82 2HG PRO 82 -7.745 4.108 2.366 613 HG3 PRO 82 1HG PRO 82 -9.128 4.171 1.261 614 HD2 PRO 82 2HD PRO 82 -7.034 6.084 1.458 615 HD3 PRO 82 1HD PRO 82 -8.541 6.254 0.533 616 HA PRO 83 HA PRO 83 -5.926 6.706 6.453 617 HB2 PRO 83 2HB PRO 83 -6.856 7.783 8.777 618 HB3 PRO 83 1HB PRO 83 -6.408 8.765 7.371 619 HG2 PRO 83 2HG PRO 83 -9.088 8.016 8.376 620 HG3 PRO 83 1HG PRO 83 -8.557 9.488 7.551 621 HD2 PRO 83 2HD PRO 83 -9.940 7.376 6.351 622 HD3 PRO 83 1HD PRO 83 -9.025 8.627 5.484 623 H VAL 84 H VAL 84 -5.204 4.959 7.640 624 HA VAL 84 HA VAL 84 -7.234 3.431 9.229 625 HB VAL 84 HB VAL 84 -4.902 2.269 7.679 626 HG11 VAL 84 1HG1 VAL 84 -7.275 0.896 8.969 627 HG12 VAL 84 2HG1 VAL 84 -5.702 1.054 9.749 628 HG13 VAL 84 3HG1 VAL 84 -5.856 0.129 8.256 629 HG21 VAL 84 1HG2 VAL 84 -7.729 2.847 6.961 630 HG22 VAL 84 2HG2 VAL 84 -7.116 1.261 6.493 631 HG23 VAL 84 3HG2 VAL 84 -6.309 2.722 5.923 632 H GLU 85 H GLU 85 -6.646 3.037 11.321 633 HA GLU 85 HA GLU 85 -4.326 4.267 12.454 634 HB2 GLU 85 2HB GLU 85 -6.412 3.693 13.721 635 HB3 GLU 85 1HB GLU 85 -5.959 1.991 13.617 636 HG2 GLU 85 2HG GLU 85 -3.811 2.528 14.764 637 HG3 GLU 85 1HG GLU 85 -4.356 4.196 14.947 638 H ALA 86 H ALA 86 -4.976 0.960 11.360 639 HA ALA 86 HA ALA 86 -2.071 0.467 11.260 640 HB1 ALA 86 1HB ALA 86 -3.563 -0.404 13.483 641 HB2 ALA 86 2HB ALA 86 -1.942 -0.927 13.026 642 HB3 ALA 86 3HB ALA 86 -3.350 -1.835 12.474 643 H LYS 87 H LYS 87 -1.557 -1.334 9.869 644 HA LYS 87 HA LYS 87 -3.295 -1.694 7.653 645 HB2 LYS 87 2HB LYS 87 -0.826 -2.120 7.635 646 HB3 LYS 87 1HB LYS 87 -1.109 -3.585 8.574 647 HG2 LYS 87 2HG LYS 87 -2.594 -4.432 6.772 648 HG3 LYS 87 1HG LYS 87 -2.242 -2.987 5.825 649 HD2 LYS 87 2HD LYS 87 0.196 -3.587 5.936 650 HD3 LYS 87 1HD LYS 87 -0.263 -5.105 6.709 651 HE2 LYS 87 2HE LYS 87 -1.484 -4.274 4.081 652 HE3 LYS 87 1HE LYS 87 0.066 -5.115 4.137 653 HZ1 LYS 87 1HZ LYS 87 -0.902 -7.028 4.724 654 HZ2 LYS 87 2HZ LYS 87 -2.327 -6.329 4.117 655 HZ3 LYS 87 3HZ LYS 87 -1.997 -6.284 5.783 656 H LEU 88 H LEU 88 -2.838 -3.634 10.587 657 HA LEU 88 HA LEU 88 -4.891 -5.558 9.649 658 HB2 LEU 88 2HB LEU 88 -3.297 -5.547 12.230 659 HB3 LEU 88 1HB LEU 88 -4.272 -6.876 11.604 660 HG LEU 88 HG LEU 88 -1.791 -5.706 10.313 661 HD11 LEU 88 1HD1 LEU 88 -1.722 -8.536 10.776 662 HD12 LEU 88 2HD1 LEU 88 -2.174 -7.732 12.279 663 HD13 LEU 88 3HD1 LEU 88 -0.677 -7.290 11.459 664 HD21 LEU 88 1HD2 LEU 88 -3.905 -7.614 9.364 665 HD22 LEU 88 2HD2 LEU 88 -2.236 -7.871 8.853 666 HD23 LEU 88 3HD2 LEU 88 -3.054 -6.357 8.466 667 H GLN 89 H GLN 89 -6.917 -5.734 10.627 668 HA GLN 89 HA GLN 89 -7.796 -3.386 12.165 669 HB2 GLN 89 2HB GLN 89 -9.375 -5.831 11.311 670 HB3 GLN 89 1HB GLN 89 -10.038 -4.300 11.882 671 HG2 GLN 89 2HG GLN 89 -8.380 -4.687 9.371 672 HG3 GLN 89 1HG GLN 89 -10.121 -4.403 9.425 673 HE21 GLN 89 1HE2 GLN 89 -7.453 -2.755 8.645 674 HE22 GLN 89 2HE2 GLN 89 -7.831 -1.213 9.245 675 H1 PN7 101 3HO SAT 101 3.504 -9.800 -12.220 676 H2 PN7 101 1H1 SAT 101 5.369 -8.085 -8.297 677 H3 PN7 101 2H1 SAT 101 3.630 -8.367 -8.228 678 H5 PN7 101 1HE1 SAT 101 5.827 -8.827 -11.240 679 H6 PN7 101 2HE1 SAT 101 6.459 -7.438 -10.355 680 H7 PN7 101 3HE1 SAT 101 5.546 -7.194 -11.844 681 H8 PN7 101 2HE2 SAT 101 4.299 -5.650 -10.700 682 H9 PN7 101 3HE2 SAT 101 4.545 -5.936 -8.979 683 H10 PN7 101 1HE2 SAT 101 2.947 -6.158 -9.690 684 H11 PN7 101 3H SAT 101 2.296 -8.335 -10.362 685 H12 PN7 101 5H SAT 101 1.934 -5.891 -12.230 686 H13 PN7 101 1H6 SAT 101 0.278 -8.115 -11.824 687 H14 PN7 101 2H6 SAT 101 -0.138 -6.776 -12.896 688 H15 PN7 101 1H7 SAT 101 1.562 -8.034 -14.523 689 H16 PN7 101 2H7 SAT 101 -0.136 -8.505 -14.433 690 H17 PN7 101 9H SAT 101 3.064 -10.449 -13.766 691 H18 PN7 101 1H10 SAT 101 2.462 -12.009 -15.477 692 H19 PN7 101 2H10 SAT 101 0.776 -11.532 -15.286 693 H20 PN7 101 1H11 SAT 101 2.953 -9.897 -16.628 694 H21 PN7 101 2H11 SAT 101 1.289 -9.363 -16.389 695 H22 PN7 101 2HS1 SAT 101 1.102 -11.948 -17.809 Start of MODEL 18 1 H1 MET 1 1HT MET 1 1.354 13.752 1.901 2 H2 MET 1 2HT MET 1 1.277 15.448 1.929 3 H3 MET 1 3HT MET 1 2.026 14.650 0.629 4 HA MET 1 HA MET 1 -0.201 15.482 0.056 5 HB2 MET 1 2HB MET 1 -0.003 12.456 0.172 6 HB3 MET 1 1HB MET 1 -0.963 13.402 -0.965 7 HG2 MET 1 2HG MET 1 2.061 13.403 -0.738 8 HG3 MET 1 1HG MET 1 1.113 12.691 -2.043 9 HE1 MET 1 1HE MET 1 -1.258 15.168 -2.400 10 HE2 MET 1 2HE MET 1 -0.567 13.811 -3.285 11 HE3 MET 1 3HE MET 1 -0.441 15.439 -3.945 12 H GLN 2 H GLN 2 -2.145 13.108 0.422 13 HA GLN 2 HA GLN 2 -3.344 14.169 2.929 14 HB2 GLN 2 2HB GLN 2 -4.709 14.137 0.826 15 HB3 GLN 2 1HB GLN 2 -4.581 12.378 0.816 16 HG2 GLN 2 2HG GLN 2 -6.669 12.886 1.869 17 HG3 GLN 2 1HG GLN 2 -5.568 12.419 3.166 18 HE21 GLN 2 1HE2 GLN 2 -5.558 13.845 4.903 19 HE22 GLN 2 2HE2 GLN 2 -5.957 15.493 4.818 20 H HIS 3 H HIS 3 -3.029 12.976 4.746 21 HA HIS 3 HA HIS 3 -2.446 11.132 6.093 22 HB2 HIS 3 2HB HIS 3 -4.262 9.715 4.118 23 HB3 HIS 3 1HB HIS 3 -3.877 9.181 5.754 24 HD1 HIS 3 1HD HIS 3 -6.813 9.752 5.006 25 HD2 HIS 3 2HD HIS 3 -4.270 12.599 6.688 26 HE1 HIS 3 1HE HIS 3 -8.301 11.487 6.101 27 HE2 HIS 3 2HE HIS 3 -6.763 13.224 7.128 28 H ALA 4 H ALA 4 -0.730 11.688 3.739 29 HA ALA 4 HA ALA 4 0.016 9.282 2.404 30 HB1 ALA 4 1HB ALA 4 2.204 11.170 3.020 31 HB2 ALA 4 2HB ALA 4 0.797 11.897 2.243 32 HB3 ALA 4 3HB ALA 4 1.646 10.563 1.460 33 H SER 5 H SER 5 0.995 10.642 5.524 34 HA SER 5 HA SER 5 3.181 8.901 6.040 35 HB2 SER 5 2HB SER 5 1.219 10.017 8.061 36 HB3 SER 5 1HB SER 5 2.853 9.450 8.394 37 HG SER 5 HG SER 5 2.374 11.832 7.985 38 H VAL 6 H VAL 6 -0.303 8.461 6.550 39 HA VAL 6 HA VAL 6 -0.099 5.986 7.977 40 HB VAL 6 HB VAL 6 -2.291 7.087 6.214 41 HG11 VAL 6 1HG1 VAL 6 -3.011 4.920 6.237 42 HG12 VAL 6 2HG1 VAL 6 -3.509 5.312 7.882 43 HG13 VAL 6 3HG1 VAL 6 -1.975 4.490 7.598 44 HG21 VAL 6 1HG2 VAL 6 -1.995 8.451 8.159 45 HG22 VAL 6 2HG2 VAL 6 -1.775 7.041 9.195 46 HG23 VAL 6 3HG2 VAL 6 -3.363 7.395 8.514 47 H ILE 7 H ILE 7 -0.335 6.748 4.528 48 HA ILE 7 HA ILE 7 -0.567 4.091 3.558 49 HB ILE 7 HB ILE 7 0.817 6.473 2.293 50 HG12 ILE 7 2HG1 ILE 7 -2.012 5.427 1.947 51 HG13 ILE 7 1HG1 ILE 7 -1.584 6.794 2.977 52 HG21 ILE 7 1HG2 ILE 7 1.431 4.366 1.195 53 HG22 ILE 7 2HG2 ILE 7 0.323 5.274 0.167 54 HG23 ILE 7 3HG2 ILE 7 -0.268 3.899 1.100 55 HD11 ILE 7 1HD1 ILE 7 -1.575 8.167 1.200 56 HD12 ILE 7 2HD1 ILE 7 -2.098 6.823 0.186 57 HD13 ILE 7 3HD1 ILE 7 -0.378 7.154 0.395 58 H ALA 8 H ALA 8 2.331 6.038 4.272 59 HA ALA 8 HA ALA 8 4.229 4.077 3.404 60 HB1 ALA 8 1HB ALA 8 4.275 6.541 5.038 61 HB2 ALA 8 2HB ALA 8 5.383 6.010 3.774 62 HB3 ALA 8 3HB ALA 8 5.548 5.378 5.411 63 H GLN 9 H GLN 9 2.861 4.766 6.618 64 HA GLN 9 HA GLN 9 4.216 2.561 7.885 65 HB2 GLN 9 2HB GLN 9 3.302 3.351 9.809 66 HB3 GLN 9 1HB GLN 9 2.891 4.746 8.818 67 HG2 GLN 9 2HG GLN 9 0.864 4.170 9.882 68 HG3 GLN 9 1HG GLN 9 0.713 3.486 8.270 69 HE21 GLN 9 1HE2 GLN 9 -0.594 1.653 8.772 70 HE22 GLN 9 2HE2 GLN 9 -0.095 0.414 9.821 71 H PHE 10 H PHE 10 1.126 2.916 6.249 72 HA PHE 10 HA PHE 10 -0.114 0.516 7.121 73 HB2 PHE 10 2HB PHE 10 -1.180 2.360 5.778 74 HB3 PHE 10 1HB PHE 10 -0.309 1.766 4.368 75 HD1 PHE 10 1HD PHE 10 -3.016 1.104 6.760 76 HD2 PHE 10 2HD PHE 10 -0.884 -0.386 3.342 77 HE1 PHE 10 1HE PHE 10 -4.817 -0.552 6.359 78 HE2 PHE 10 2HE PHE 10 -2.685 -2.046 2.943 79 HZ PHE 10 HZ PHE 10 -4.651 -2.123 4.451 80 H VAL 11 H VAL 11 1.834 1.051 4.160 81 HA VAL 11 HA VAL 11 1.895 -1.783 3.551 82 HB VAL 11 HB VAL 11 3.523 -1.122 1.811 83 HG11 VAL 11 1HG1 VAL 11 2.019 0.317 0.544 84 HG12 VAL 11 2HG1 VAL 11 1.207 0.820 2.027 85 HG13 VAL 11 3HG1 VAL 11 1.064 -0.847 1.465 86 HG21 VAL 11 1HG2 VAL 11 3.612 1.593 1.775 87 HG22 VAL 11 2HG2 VAL 11 4.876 0.592 2.487 88 HG23 VAL 11 3HG2 VAL 11 3.629 1.301 3.513 89 H VAL 12 H VAL 12 4.171 0.502 5.040 90 HA VAL 12 HA VAL 12 6.364 -1.317 5.248 91 HB VAL 12 HB VAL 12 5.674 1.052 6.988 92 HG11 VAL 12 1HG1 VAL 12 7.344 -0.450 8.012 93 HG12 VAL 12 2HG1 VAL 12 8.083 1.069 7.511 94 HG13 VAL 12 3HG1 VAL 12 8.304 -0.385 6.537 95 HG21 VAL 12 1HG2 VAL 12 7.747 1.102 4.840 96 HG22 VAL 12 2HG2 VAL 12 6.714 2.404 5.430 97 HG23 VAL 12 3HG2 VAL 12 6.056 1.178 4.348 98 H GLU 13 H GLU 13 3.618 -0.691 7.397 99 HA GLU 13 HA GLU 13 4.536 -2.067 9.684 100 HB2 GLU 13 2HB GLU 13 2.436 -0.738 9.594 101 HB3 GLU 13 1HB GLU 13 1.704 -2.020 8.637 102 HG2 GLU 13 2HG GLU 13 2.158 -3.623 10.484 103 HG3 GLU 13 1HG GLU 13 2.781 -2.285 11.445 104 H GLU 14 H GLU 14 3.160 -3.314 6.691 105 HA GLU 14 HA GLU 14 2.757 -6.000 7.613 106 HB2 GLU 14 2HB GLU 14 1.785 -5.081 5.510 107 HB3 GLU 14 1HB GLU 14 3.398 -5.074 4.800 108 HG2 GLU 14 2HG GLU 14 3.562 -7.520 5.221 109 HG3 GLU 14 1HG GLU 14 1.908 -7.501 5.831 110 H PHE 15 H PHE 15 5.586 -4.296 6.378 111 HA PHE 15 HA PHE 15 7.217 -6.682 7.113 112 HB2 PHE 15 2HB PHE 15 8.666 -6.047 5.054 113 HB3 PHE 15 1HB PHE 15 7.169 -6.937 4.770 114 HD1 PHE 15 1HD PHE 15 5.243 -5.881 3.753 115 HD2 PHE 15 2HD PHE 15 8.815 -3.635 4.549 116 HE1 PHE 15 1HE PHE 15 4.395 -4.031 2.339 117 HE2 PHE 15 2HE PHE 15 7.969 -1.786 3.131 118 HZ PHE 15 HZ PHE 15 5.759 -1.984 2.025 119 H LEU 16 H LEU 16 6.909 -4.422 8.747 120 HA LEU 16 HA LEU 16 9.072 -2.559 8.200 121 HB2 LEU 16 2HB LEU 16 8.233 -1.292 9.902 122 HB3 LEU 16 1HB LEU 16 6.812 -2.275 9.614 123 HG LEU 16 HG LEU 16 8.925 -2.795 11.735 124 HD11 LEU 16 1HD1 LEU 16 7.742 -1.218 12.830 125 HD12 LEU 16 2HD1 LEU 16 6.487 -2.450 12.962 126 HD13 LEU 16 3HD1 LEU 16 6.426 -1.266 11.656 127 HD21 LEU 16 1HD2 LEU 16 6.338 -4.166 11.935 128 HD22 LEU 16 2HD2 LEU 16 7.964 -4.822 12.111 129 HD23 LEU 16 3HD2 LEU 16 7.252 -4.652 10.512 130 HA PRO 17 HA PRO 17 12.135 -5.106 10.246 131 HB2 PRO 17 2HB PRO 17 14.207 -3.353 10.228 132 HB3 PRO 17 1HB PRO 17 13.626 -4.120 8.741 133 HG2 PRO 17 2HG PRO 17 13.080 -1.386 9.792 134 HG3 PRO 17 1HG PRO 17 13.439 -1.906 8.138 135 HD2 PRO 17 2HD PRO 17 10.897 -1.387 9.043 136 HD3 PRO 17 1HD PRO 17 11.266 -2.513 7.718 137 H ASP 18 H ASP 18 14.133 -3.706 11.931 138 HA ASP 18 HA ASP 18 12.526 -3.481 14.356 139 HB2 ASP 18 2HB ASP 18 14.681 -3.190 15.478 140 HB3 ASP 18 1HB ASP 18 14.785 -4.535 14.347 141 H VAL 19 H VAL 19 12.691 -1.459 11.925 142 HA VAL 19 HA VAL 19 13.080 0.997 13.594 143 HB VAL 19 HB VAL 19 13.129 0.758 10.572 144 HG11 VAL 19 1HG1 VAL 19 13.085 2.969 12.440 145 HG12 VAL 19 2HG1 VAL 19 13.027 3.005 10.678 146 HG13 VAL 19 3HG1 VAL 19 14.582 2.986 11.509 147 HG21 VAL 19 1HG2 VAL 19 15.659 1.223 11.058 148 HG22 VAL 19 2HG2 VAL 19 15.052 -0.424 11.233 149 HG23 VAL 19 3HG2 VAL 19 15.297 0.582 12.661 150 H ALA 20 H ALA 20 11.346 2.394 13.795 151 HA ALA 20 HA ALA 20 8.729 1.476 12.985 152 HB1 ALA 20 1HB ALA 20 9.814 3.493 14.712 153 HB2 ALA 20 2HB ALA 20 8.164 2.871 14.658 154 HB3 ALA 20 3HB ALA 20 8.624 4.238 13.644 155 HA PRO 21 HA PRO 21 8.639 3.046 8.788 156 HB2 PRO 21 2HB PRO 21 5.907 4.027 9.456 157 HB3 PRO 21 1HB PRO 21 6.442 3.003 8.112 158 HG2 PRO 21 2HG PRO 21 5.123 2.036 10.248 159 HG3 PRO 21 1HG PRO 21 6.309 1.094 9.334 160 HD2 PRO 21 2HD PRO 21 6.537 2.241 12.050 161 HD3 PRO 21 1HD PRO 21 7.434 0.903 11.299 162 H ALA 22 H ALA 22 7.550 5.068 11.472 163 HA ALA 22 HA ALA 22 7.606 7.573 10.066 164 HB1 ALA 22 1HB ALA 22 6.530 7.890 12.062 165 HB2 ALA 22 2HB ALA 22 8.152 8.301 12.620 166 HB3 ALA 22 3HB ALA 22 7.509 6.682 12.897 167 H ASP 23 H ASP 23 10.074 5.569 11.494 168 HA ASP 23 HA ASP 23 12.092 7.727 11.120 169 HB2 ASP 23 2HB ASP 23 12.224 5.081 12.595 170 HB3 ASP 23 1HB ASP 23 13.594 6.176 12.406 171 H VAL 24 H VAL 24 10.717 5.416 9.313 172 HA VAL 24 HA VAL 24 13.249 4.441 8.097 173 HB VAL 24 HB VAL 24 10.983 3.063 8.648 174 HG11 VAL 24 1HG1 VAL 24 9.595 2.817 6.723 175 HG12 VAL 24 2HG1 VAL 24 10.705 3.738 5.711 176 HG13 VAL 24 3HG1 VAL 24 9.767 4.554 6.960 177 HG21 VAL 24 1HG2 VAL 24 12.803 2.658 6.253 178 HG22 VAL 24 2HG2 VAL 24 11.782 1.413 6.972 179 HG23 VAL 24 3HG2 VAL 24 13.115 2.102 7.897 180 H ASP 25 H ASP 25 13.769 4.964 5.941 181 HA ASP 25 HA ASP 25 12.694 7.472 4.979 182 HB2 ASP 25 2HB ASP 25 15.053 6.679 4.596 183 HB3 ASP 25 1HB ASP 25 14.413 5.483 3.469 184 H VAL 26 H VAL 26 10.485 7.215 4.535 185 HA VAL 26 HA VAL 26 9.344 5.022 3.099 186 HB VAL 26 HB VAL 26 7.400 6.469 2.792 187 HG11 VAL 26 1HG1 VAL 26 7.057 7.158 5.143 188 HG12 VAL 26 2HG1 VAL 26 8.783 6.971 5.446 189 HG13 VAL 26 3HG1 VAL 26 7.800 5.562 5.049 190 HG21 VAL 26 1HG2 VAL 26 7.852 8.618 2.240 191 HG22 VAL 26 2HG2 VAL 26 9.469 8.535 2.939 192 HG23 VAL 26 3HG2 VAL 26 8.082 8.895 3.967 193 H ASP 27 H ASP 27 11.690 6.945 1.979 194 HA ASP 27 HA ASP 27 10.564 7.427 -0.711 195 HB2 ASP 27 2HB ASP 27 13.299 7.991 0.476 196 HB3 ASP 27 1HB ASP 27 12.824 8.406 -1.171 197 H LEU 28 H LEU 28 11.417 4.734 0.720 198 HA LEU 28 HA LEU 28 13.399 3.696 -1.184 199 HB2 LEU 28 2HB LEU 28 13.322 2.962 1.210 200 HB3 LEU 28 1HB LEU 28 11.764 2.208 0.886 201 HG LEU 28 HG LEU 28 12.880 0.877 -0.948 202 HD11 LEU 28 1HD1 LEU 28 15.534 0.881 -0.078 203 HD12 LEU 28 2HD1 LEU 28 15.102 2.589 -0.138 204 HD13 LEU 28 3HD1 LEU 28 14.930 1.585 -1.577 205 HD21 LEU 28 1HD2 LEU 28 14.177 -0.582 0.733 206 HD22 LEU 28 2HD2 LEU 28 12.477 -0.277 1.091 207 HD23 LEU 28 3HD2 LEU 28 13.733 0.623 1.941 208 H ASP 29 H ASP 29 12.930 2.551 -3.005 209 HA ASP 29 HA ASP 29 10.258 2.540 -4.035 210 HB2 ASP 29 2HB ASP 29 12.717 0.979 -4.882 211 HB3 ASP 29 1HB ASP 29 11.215 1.041 -5.805 212 H LEU 30 H LEU 30 8.637 1.182 -3.476 213 HA LEU 30 HA LEU 30 9.025 -0.989 -1.654 214 HB2 LEU 30 2HB LEU 30 6.672 -0.499 -3.509 215 HB3 LEU 30 1HB LEU 30 6.665 -1.524 -2.074 216 HG LEU 30 HG LEU 30 7.123 1.473 -2.132 217 HD11 LEU 30 1HD1 LEU 30 4.996 0.635 -0.428 218 HD12 LEU 30 2HD1 LEU 30 4.767 -0.156 -1.986 219 HD13 LEU 30 3HD1 LEU 30 4.887 1.601 -1.899 220 HD21 LEU 30 1HD2 LEU 30 7.462 -0.629 -0.021 221 HD22 LEU 30 2HD2 LEU 30 6.839 0.949 0.460 222 HD23 LEU 30 3HD2 LEU 30 8.418 0.824 -0.314 223 H VAL 31 H VAL 31 9.760 -0.799 -4.927 224 HA VAL 31 HA VAL 31 8.924 -3.236 -6.025 225 HB VAL 31 HB VAL 31 11.609 -1.858 -6.327 226 HG11 VAL 31 1HG1 VAL 31 12.050 -3.985 -7.170 227 HG12 VAL 31 2HG1 VAL 31 11.427 -3.169 -8.605 228 HG13 VAL 31 3HG1 VAL 31 10.380 -4.242 -7.675 229 HG21 VAL 31 1HG2 VAL 31 10.302 -0.338 -7.378 230 HG22 VAL 31 2HG2 VAL 31 8.912 -1.421 -7.404 231 HG23 VAL 31 3HG2 VAL 31 10.149 -1.545 -8.654 232 H ASP 32 H ASP 32 11.747 -2.618 -3.950 233 HA ASP 32 HA ASP 32 12.759 -5.276 -3.899 234 HB2 ASP 32 2HB ASP 32 12.741 -3.149 -1.730 235 HB3 ASP 32 1HB ASP 32 13.674 -4.643 -1.639 236 H ASN 33 H ASN 33 10.156 -3.689 -2.169 237 HA ASN 33 HA ASN 33 9.527 -6.079 -0.581 238 HB2 ASN 33 2HB ASN 33 8.052 -3.453 -0.882 239 HB3 ASN 33 1HB ASN 33 7.679 -4.704 0.301 240 HD21 ASN 33 1HD2 ASN 33 10.999 -4.747 -0.076 241 HD22 ASN 33 2HD2 ASN 33 11.432 -3.705 1.192 242 H GLY 34 H GLY 34 9.347 -5.685 -3.675 243 HA2 GLY 34 2HA GLY 34 6.797 -5.699 -4.700 244 HA3 GLY 34 1HA GLY 34 8.042 -6.796 -5.300 245 H VAL 35 H VAL 35 8.026 -7.923 -2.382 246 HA VAL 35 HA VAL 35 6.516 -10.247 -2.867 247 HB VAL 35 HB VAL 35 7.216 -8.864 -0.260 248 HG11 VAL 35 1HG1 VAL 35 5.346 -10.215 0.301 249 HG12 VAL 35 2HG1 VAL 35 6.749 -11.210 0.692 250 HG13 VAL 35 3HG1 VAL 35 5.847 -11.503 -0.796 251 HG21 VAL 35 1HG2 VAL 35 8.852 -10.097 -2.046 252 HG22 VAL 35 2HG2 VAL 35 8.368 -11.480 -1.064 253 HG23 VAL 35 3HG2 VAL 35 9.149 -10.091 -0.307 254 H ILE 36 H ILE 36 5.558 -7.154 -1.449 255 HA ILE 36 HA ILE 36 2.883 -7.963 -0.731 256 HB ILE 36 HB ILE 36 4.288 -5.873 0.002 257 HG12 ILE 36 2HG1 ILE 36 1.330 -5.720 -0.657 258 HG13 ILE 36 1HG1 ILE 36 2.032 -6.372 0.821 259 HG21 ILE 36 1HG2 ILE 36 4.049 -3.926 -1.305 260 HG22 ILE 36 2HG2 ILE 36 2.721 -4.614 -2.243 261 HG23 ILE 36 3HG2 ILE 36 4.372 -5.180 -2.504 262 HD11 ILE 36 1HD1 ILE 36 2.003 -4.308 1.718 263 HD12 ILE 36 2HD1 ILE 36 1.388 -3.641 0.207 264 HD13 ILE 36 3HD1 ILE 36 3.126 -3.774 0.470 265 H ASP 37 H ASP 37 4.371 -6.860 -3.682 266 HA ASP 37 HA ASP 37 2.103 -5.831 -5.022 267 HB2 ASP 37 2HB ASP 37 4.503 -7.292 -6.148 268 HB3 ASP 37 1HB ASP 37 3.325 -6.414 -7.122 269 H SER 38 H SER 38 3.153 -9.203 -4.641 270 HA SER 38 HA SER 38 0.792 -10.016 -6.261 271 HB2 SER 38 2HB SER 38 3.484 -11.035 -5.997 272 HB3 SER 38 1HB SER 38 2.307 -12.295 -5.645 273 H LEU 39 H LEU 39 2.492 -11.371 -3.409 274 HA LEU 39 HA LEU 39 0.136 -12.765 -2.547 275 HB2 LEU 39 2HB LEU 39 2.775 -12.155 -1.258 276 HB3 LEU 39 1HB LEU 39 1.498 -12.960 -0.354 277 HG LEU 39 HG LEU 39 3.167 -14.495 -1.528 278 HD11 LEU 39 1HD1 LEU 39 0.788 -15.434 -2.799 279 HD12 LEU 39 2HD1 LEU 39 0.319 -14.655 -1.289 280 HD13 LEU 39 3HD1 LEU 39 1.492 -15.972 -1.273 281 HD21 LEU 39 1HD2 LEU 39 3.188 -13.036 -3.619 282 HD22 LEU 39 2HD2 LEU 39 1.606 -13.713 -4.000 283 HD23 LEU 39 3HD2 LEU 39 3.015 -14.767 -3.901 284 H GLY 40 H GLY 40 1.743 -9.885 -1.182 285 HA2 GLY 40 2HA GLY 40 -0.323 -9.441 0.772 286 HA3 GLY 40 1HA GLY 40 0.899 -8.269 0.296 287 H LEU 41 H LEU 41 0.220 -8.231 -2.505 288 HA LEU 41 HA LEU 41 -1.735 -6.183 -2.530 289 HB2 LEU 41 2HB LEU 41 -0.070 -6.639 -4.348 290 HB3 LEU 41 1HB LEU 41 -1.029 -8.041 -4.818 291 HG LEU 41 HG LEU 41 -2.991 -6.246 -4.863 292 HD11 LEU 41 1HD1 LEU 41 -0.604 -4.561 -5.626 293 HD12 LEU 41 2HD1 LEU 41 -1.329 -4.491 -4.019 294 HD13 LEU 41 3HD1 LEU 41 -2.280 -4.046 -5.435 295 HD21 LEU 41 1HD2 LEU 41 -0.870 -6.465 -7.024 296 HD22 LEU 41 2HD2 LEU 41 -2.535 -5.937 -7.268 297 HD23 LEU 41 3HD2 LEU 41 -2.198 -7.598 -6.781 298 H LEU 42 H LEU 42 -2.066 -9.633 -3.375 299 HA LEU 42 HA LEU 42 -4.848 -9.499 -3.992 300 HB2 LEU 42 2HB LEU 42 -3.177 -11.788 -2.931 301 HB3 LEU 42 1HB LEU 42 -4.825 -11.967 -3.509 302 HG LEU 42 HG LEU 42 -2.526 -10.866 -5.145 303 HD11 LEU 42 1HD1 LEU 42 -3.516 -13.594 -4.635 304 HD12 LEU 42 2HD1 LEU 42 -1.969 -13.066 -5.297 305 HD13 LEU 42 3HD1 LEU 42 -3.383 -13.187 -6.346 306 HD21 LEU 42 1HD2 LEU 42 -4.310 -9.988 -6.260 307 HD22 LEU 42 2HD2 LEU 42 -5.451 -11.101 -5.507 308 HD23 LEU 42 3HD2 LEU 42 -4.479 -11.630 -6.880 309 H LYS 43 H LYS 43 -3.169 -10.151 -0.918 310 HA LYS 43 HA LYS 43 -5.530 -10.662 0.599 311 HB2 LYS 43 2HB LYS 43 -2.854 -9.536 1.441 312 HB3 LYS 43 1HB LYS 43 -4.099 -10.083 2.558 313 HG2 LYS 43 2HG LYS 43 -4.026 -12.332 1.476 314 HG3 LYS 43 1HG LYS 43 -2.690 -11.769 0.472 315 HD2 LYS 43 2HD LYS 43 -1.405 -11.247 2.553 316 HD3 LYS 43 1HD LYS 43 -2.716 -11.958 3.498 317 HE2 LYS 43 2HE LYS 43 -1.315 -13.479 1.292 318 HE3 LYS 43 1HE LYS 43 -0.744 -13.504 2.961 319 HZ1 LYS 43 1HZ LYS 43 -2.255 -15.349 2.438 320 HZ2 LYS 43 2HZ LYS 43 -3.492 -14.233 2.104 321 HZ3 LYS 43 3HZ LYS 43 -2.855 -14.355 3.675 322 H VAL 44 H VAL 44 -3.778 -7.670 -0.158 323 HA VAL 44 HA VAL 44 -5.409 -5.984 1.524 324 HB VAL 44 HB VAL 44 -3.672 -5.351 -0.873 325 HG11 VAL 44 1HG1 VAL 44 -5.108 -3.554 1.098 326 HG12 VAL 44 2HG1 VAL 44 -5.287 -3.576 -0.657 327 HG13 VAL 44 3HG1 VAL 44 -3.785 -3.003 0.070 328 HG21 VAL 44 1HG2 VAL 44 -2.946 -6.214 1.624 329 HG22 VAL 44 2HG2 VAL 44 -2.957 -4.465 1.855 330 HG23 VAL 44 3HG2 VAL 44 -1.943 -5.183 0.603 331 H ILE 45 H ILE 45 -5.458 -6.569 -2.012 332 HA ILE 45 HA ILE 45 -7.710 -4.904 -2.512 333 HB ILE 45 HB ILE 45 -6.793 -7.383 -3.999 334 HG12 ILE 45 2HG1 ILE 45 -5.010 -5.726 -3.918 335 HG13 ILE 45 1HG1 ILE 45 -5.726 -5.692 -5.524 336 HG21 ILE 45 1HG2 ILE 45 -8.619 -7.074 -5.254 337 HG22 ILE 45 2HG2 ILE 45 -7.992 -5.491 -5.711 338 HG23 ILE 45 3HG2 ILE 45 -9.063 -5.647 -4.320 339 HD11 ILE 45 1HD1 ILE 45 -7.263 -3.828 -4.473 340 HD12 ILE 45 2HD1 ILE 45 -5.635 -3.425 -5.016 341 HD13 ILE 45 3HD1 ILE 45 -5.950 -3.692 -3.303 342 H ALA 46 H ALA 46 -7.502 -8.358 -1.672 343 HA ALA 46 HA ALA 46 -10.316 -8.863 -1.979 344 HB1 ALA 46 1HB ALA 46 -8.047 -10.227 -0.564 345 HB2 ALA 46 2HB ALA 46 -9.043 -10.815 -1.896 346 HB3 ALA 46 3HB ALA 46 -9.701 -10.761 -0.261 347 H TRP 47 H TRP 47 -8.341 -8.034 0.885 348 HA TRP 47 HA TRP 47 -10.680 -7.937 2.619 349 HB2 TRP 47 2HB TRP 47 -8.855 -8.392 3.922 350 HB3 TRP 47 1HB TRP 47 -7.766 -7.448 2.905 351 HD1 TRP 47 HD TRP 47 -10.984 -6.336 4.758 352 HE1 TRP 47 1HE TRP 47 -10.377 -4.304 6.228 353 HE3 TRP 47 3HE TRP 47 -5.993 -6.089 3.860 354 HZ2 TRP 47 2HZ TRP 47 -8.053 -2.776 6.935 355 HZ3 TRP 47 3HZ TRP 47 -4.587 -4.350 4.937 356 HH2 TRP 47 HH TRP 47 -5.614 -2.691 6.472 357 H LEU 48 H LEU 48 -8.525 -5.517 1.157 358 HA LEU 48 HA LEU 48 -9.768 -3.210 2.196 359 HB2 LEU 48 2HB LEU 48 -7.618 -3.275 0.894 360 HB3 LEU 48 1HB LEU 48 -8.566 -3.503 -0.565 361 HG LEU 48 HG LEU 48 -9.796 -1.388 -0.007 362 HD11 LEU 48 1HD1 LEU 48 -9.501 -0.945 2.240 363 HD12 LEU 48 2HD1 LEU 48 -8.229 0.072 1.568 364 HD13 LEU 48 3HD1 LEU 48 -7.833 -1.508 2.239 365 HD21 LEU 48 1HD2 LEU 48 -7.146 -1.769 -1.042 366 HD22 LEU 48 2HD2 LEU 48 -7.208 -0.223 -0.195 367 HD23 LEU 48 3HD2 LEU 48 -8.337 -0.555 -1.508 368 H GLU 49 H GLU 49 -10.584 -5.165 -0.662 369 HA GLU 49 HA GLU 49 -12.610 -3.441 -1.700 370 HB2 GLU 49 2HB GLU 49 -12.006 -5.141 -3.171 371 HB3 GLU 49 1HB GLU 49 -12.053 -6.380 -1.921 372 HG2 GLU 49 2HG GLU 49 -14.575 -4.919 -2.614 373 HG3 GLU 49 1HG GLU 49 -14.008 -6.194 -3.682 374 H ASP 50 H ASP 50 -12.776 -6.086 0.683 375 HA ASP 50 HA ASP 50 -15.615 -5.970 1.028 376 HB2 ASP 50 2HB ASP 50 -14.099 -7.815 1.836 377 HB3 ASP 50 1HB ASP 50 -13.573 -6.728 3.119 378 H ARG 51 H ARG 51 -12.952 -4.264 2.617 379 HA ARG 51 HA ARG 51 -14.538 -2.985 4.624 380 HB2 ARG 51 2HB ARG 51 -12.053 -3.184 4.676 381 HB3 ARG 51 1HB ARG 51 -11.963 -1.987 3.383 382 HG2 ARG 51 2HG ARG 51 -13.132 -0.351 4.810 383 HG3 ARG 51 1HG ARG 51 -13.225 -1.544 6.106 384 HD2 ARG 51 2HD ARG 51 -10.737 -1.677 6.117 385 HD3 ARG 51 1HD ARG 51 -10.688 -0.407 4.896 386 HE ARG 51 HE ARG 51 -12.219 0.647 6.986 387 HH11 ARG 51 1HH1 ARG 51 -11.275 1.899 8.615 388 HH12 ARG 51 2HH1 ARG 51 -9.584 1.729 8.949 389 HH21 ARG 51 1HH2 ARG 51 -9.075 -0.692 6.519 390 HH22 ARG 51 2HH2 ARG 51 -8.339 0.262 7.764 391 H PHE 52 H PHE 52 -13.492 -1.794 1.390 392 HA PHE 52 HA PHE 52 -15.397 0.474 1.770 393 HB2 PHE 52 2HB PHE 52 -12.869 0.178 0.163 394 HB3 PHE 52 1HB PHE 52 -14.028 1.459 -0.179 395 HD1 PHE 52 1HD PHE 52 -14.692 3.044 1.699 396 HD2 PHE 52 2HD PHE 52 -11.386 0.320 2.006 397 HE1 PHE 52 1HE PHE 52 -13.785 4.359 3.596 398 HE2 PHE 52 2HE PHE 52 -10.478 1.636 3.902 399 HZ PHE 52 HZ PHE 52 -11.679 3.654 4.698 400 H GLY 53 H GLY 53 -15.254 -2.477 0.254 401 HA2 GLY 53 2HA GLY 53 -16.682 -3.406 -1.374 402 HA3 GLY 53 1HA GLY 53 -17.547 -1.870 -1.397 403 H ILE 54 H ILE 54 -14.092 -2.356 -2.074 404 HA ILE 54 HA ILE 54 -14.467 -0.956 -4.648 405 HB ILE 54 HB ILE 54 -11.935 -2.009 -3.349 406 HG12 ILE 54 2HG1 ILE 54 -13.029 0.817 -3.402 407 HG13 ILE 54 1HG1 ILE 54 -13.227 -0.277 -2.033 408 HG21 ILE 54 1HG2 ILE 54 -11.620 0.270 -5.076 409 HG22 ILE 54 2HG2 ILE 54 -12.461 -1.009 -5.952 410 HG23 ILE 54 3HG2 ILE 54 -10.887 -1.328 -5.221 411 HD11 ILE 54 1HD1 ILE 54 -11.110 1.422 -2.331 412 HD12 ILE 54 2HD1 ILE 54 -10.462 -0.053 -3.051 413 HD13 ILE 54 3HD1 ILE 54 -11.054 -0.068 -1.389 414 H ALA 55 H ALA 55 -14.040 -1.922 -6.682 415 HA ALA 55 HA ALA 55 -14.663 -4.693 -6.933 416 HB1 ALA 55 1HB ALA 55 -13.420 -2.707 -8.842 417 HB2 ALA 55 2HB ALA 55 -15.080 -3.300 -8.822 418 HB3 ALA 55 3HB ALA 55 -13.767 -4.371 -9.310 419 H ALA 56 H ALA 56 -13.399 -6.417 -6.541 420 HA ALA 56 HA ALA 56 -10.558 -6.110 -5.988 421 HB1 ALA 56 1HB ALA 56 -12.605 -8.174 -5.665 422 HB2 ALA 56 2HB ALA 56 -11.147 -7.882 -4.715 423 HB3 ALA 56 3HB ALA 56 -11.059 -8.836 -6.197 424 H ASP 57 H ASP 57 -12.459 -6.847 -8.771 425 HA ASP 57 HA ASP 57 -10.331 -8.273 -10.183 426 HB2 ASP 57 2HB ASP 57 -12.975 -7.137 -11.105 427 HB3 ASP 57 1HB ASP 57 -11.887 -8.064 -12.137 428 H ASP 58 H ASP 58 -10.333 -5.222 -9.232 429 HA ASP 58 HA ASP 58 -9.843 -3.841 -11.757 430 HB2 ASP 58 2HB ASP 58 -10.712 -2.686 -9.716 431 HB3 ASP 58 1HB ASP 58 -9.151 -2.964 -8.949 432 H VAL 59 H VAL 59 -8.033 -4.318 -12.896 433 HA VAL 59 HA VAL 59 -5.494 -4.787 -11.379 434 HB VAL 59 HB VAL 59 -4.751 -6.164 -13.245 435 HG11 VAL 59 1HG1 VAL 59 -7.533 -6.779 -12.222 436 HG12 VAL 59 2HG1 VAL 59 -5.998 -7.393 -11.609 437 HG13 VAL 59 3HG1 VAL 59 -6.596 -7.924 -13.181 438 HG21 VAL 59 1HG2 VAL 59 -7.202 -5.003 -14.509 439 HG22 VAL 59 2HG2 VAL 59 -6.740 -6.643 -14.964 440 HG23 VAL 59 3HG2 VAL 59 -5.614 -5.307 -15.214 441 H GLU 60 H GLU 60 -6.887 -2.296 -12.603 442 HA GLU 60 HA GLU 60 -5.435 -1.354 -14.832 443 HB2 GLU 60 2HB GLU 60 -7.409 -0.211 -13.805 444 HB3 GLU 60 1HB GLU 60 -6.376 0.306 -12.480 445 HG2 GLU 60 2HG GLU 60 -4.895 1.436 -14.123 446 HG3 GLU 60 1HG GLU 60 -6.026 0.996 -15.398 447 H LEU 61 H LEU 61 -4.471 -1.620 -11.470 448 HA LEU 61 HA LEU 61 -2.150 0.116 -11.758 449 HB2 LEU 61 2HB LEU 61 -2.721 -1.984 -9.644 450 HB3 LEU 61 1HB LEU 61 -1.542 -0.680 -9.531 451 HG LEU 61 HG LEU 61 -4.538 -0.354 -9.766 452 HD11 LEU 61 1HD1 LEU 61 -4.581 0.029 -7.508 453 HD12 LEU 61 2HD1 LEU 61 -2.975 0.759 -7.501 454 HD13 LEU 61 3HD1 LEU 61 -3.145 -0.996 -7.535 455 HD21 LEU 61 1HD2 LEU 61 -3.764 1.548 -10.847 456 HD22 LEU 61 2HD2 LEU 61 -2.231 1.543 -9.973 457 HD23 LEU 61 3HD2 LEU 61 -3.700 2.099 -9.173 458 H SER 62 H SER 62 -0.034 -0.489 -12.146 459 HA SER 62 HA SER 62 0.434 -3.342 -12.889 460 HB2 SER 62 2HB SER 62 2.329 -1.771 -14.225 461 HB3 SER 62 1HB SER 62 0.910 -2.532 -14.940 462 HG SER 62 HG SER 62 0.989 0.027 -13.707 463 HA PRO 63 HA PRO 63 3.837 -3.637 -10.111 464 HB2 PRO 63 2HB PRO 63 5.975 -4.093 -11.920 465 HB3 PRO 63 1HB PRO 63 5.004 -5.321 -11.094 466 HG2 PRO 63 2HG PRO 63 4.821 -4.316 -13.857 467 HG3 PRO 63 1HG PRO 63 4.357 -5.888 -13.187 468 HD2 PRO 63 2HD PRO 63 2.525 -4.015 -13.916 469 HD3 PRO 63 1HD PRO 63 2.238 -5.163 -12.593 470 H GLU 64 H GLU 64 4.386 -1.640 -12.970 471 HA GLU 64 HA GLU 64 6.607 -0.146 -11.920 472 HB2 GLU 64 2HB GLU 64 4.540 0.587 -14.000 473 HB3 GLU 64 1HB GLU 64 6.000 1.513 -13.682 474 HG2 GLU 64 2HG GLU 64 7.352 -0.496 -14.201 475 HG3 GLU 64 1HG GLU 64 5.873 -1.363 -14.597 476 H HIS 65 H HIS 65 3.146 0.050 -11.502 477 HA HIS 65 HA HIS 65 3.035 2.745 -10.500 478 HB2 HIS 65 2HB HIS 65 1.023 1.561 -11.254 479 HB3 HIS 65 1HB HIS 65 1.217 0.378 -9.961 480 HD1 HIS 65 1HD HIS 65 -0.361 0.867 -8.106 481 HD2 HIS 65 2HD HIS 65 1.085 4.375 -9.838 482 HE1 HIS 65 1HE HIS 65 -1.386 2.785 -6.805 483 HE2 HIS 65 2HE HIS 65 -0.510 4.925 -7.849 484 H PHE 66 H PHE 66 3.918 -0.311 -9.059 485 HA PHE 66 HA PHE 66 3.806 0.808 -6.327 486 HB2 PHE 66 2HB PHE 66 4.694 -1.901 -7.367 487 HB3 PHE 66 1HB PHE 66 4.611 -1.459 -5.661 488 HD1 PHE 66 1HD PHE 66 2.687 -2.296 -8.666 489 HD2 PHE 66 2HD PHE 66 2.440 -1.016 -4.573 490 HE1 PHE 66 1HE PHE 66 0.270 -2.849 -8.639 491 HE2 PHE 66 2HE PHE 66 0.022 -1.569 -4.547 492 HZ PHE 66 HZ PHE 66 -1.062 -2.486 -6.579 493 H ARG 67 H ARG 67 5.777 1.436 -8.726 494 HA ARG 67 HA ARG 67 8.393 0.719 -8.008 495 HB2 ARG 67 2HB ARG 67 7.746 1.948 -10.088 496 HB3 ARG 67 1HB ARG 67 7.511 3.399 -9.120 497 HG2 ARG 67 2HG ARG 67 9.696 3.678 -9.909 498 HG3 ARG 67 1HG ARG 67 9.963 2.953 -8.328 499 HD2 ARG 67 2HD ARG 67 10.158 0.722 -9.386 500 HD3 ARG 67 1HD ARG 67 9.905 1.459 -10.966 501 HE ARG 67 HE ARG 67 12.130 2.643 -9.499 502 HH11 ARG 67 1HH1 ARG 67 14.179 2.259 -10.373 503 HH12 ARG 67 2HH1 ARG 67 14.379 1.016 -11.563 504 HH21 ARG 67 1HH2 ARG 67 11.035 0.100 -11.554 505 HH22 ARG 67 2HH2 ARG 67 12.599 -0.206 -12.232 506 H SER 68 H SER 68 6.358 3.325 -6.715 507 HA SER 68 HA SER 68 8.211 3.497 -4.405 508 HB2 SER 68 2HB SER 68 8.397 5.906 -4.532 509 HB3 SER 68 1HB SER 68 8.897 5.242 -6.085 510 HG SER 68 HG SER 68 7.176 6.078 -6.999 511 H ILE 69 H ILE 69 7.210 4.535 -2.534 512 HA ILE 69 HA ILE 69 4.467 3.835 -2.171 513 HB ILE 69 HB ILE 69 6.202 5.733 -0.566 514 HG12 ILE 69 2HG1 ILE 69 5.631 2.805 -0.108 515 HG13 ILE 69 1HG1 ILE 69 7.087 3.396 -0.893 516 HG21 ILE 69 1HG2 ILE 69 3.451 5.008 -0.369 517 HG22 ILE 69 2HG2 ILE 69 4.396 6.019 0.724 518 HG23 ILE 69 3HG2 ILE 69 4.319 4.277 0.978 519 HD11 ILE 69 1HD1 ILE 69 6.444 4.725 1.660 520 HD12 ILE 69 2HD1 ILE 69 7.994 4.133 1.060 521 HD13 ILE 69 3HD1 ILE 69 6.852 3.015 1.804 522 H ARG 70 H ARG 70 6.062 6.903 -2.956 523 HA ARG 70 HA ARG 70 3.829 8.617 -2.573 524 HB2 ARG 70 2HB ARG 70 6.167 9.389 -2.967 525 HB3 ARG 70 1HB ARG 70 6.015 8.894 -4.653 526 HG2 ARG 70 2HG ARG 70 4.139 10.448 -4.961 527 HG3 ARG 70 1HG ARG 70 4.237 10.922 -3.265 528 HD2 ARG 70 2HD ARG 70 5.409 12.596 -4.543 529 HD3 ARG 70 1HD ARG 70 6.623 11.638 -3.696 530 HE ARG 70 HE ARG 70 6.384 10.371 -6.145 531 HH11 ARG 70 1HH1 ARG 70 7.638 10.933 -7.940 532 HH12 ARG 70 2HH1 ARG 70 8.296 12.531 -8.053 533 HH21 ARG 70 1HH2 ARG 70 6.932 13.592 -5.046 534 HH22 ARG 70 2HH2 ARG 70 7.896 14.037 -6.415 535 H SER 71 H SER 71 4.806 6.721 -5.433 536 HA SER 71 HA SER 71 2.839 7.783 -7.203 537 HB2 SER 71 2HB SER 71 3.276 5.837 -8.568 538 HB3 SER 71 1HB SER 71 4.801 6.345 -7.853 539 HG SER 71 HG SER 71 4.185 4.021 -7.739 540 H ILE 72 H ILE 72 2.716 5.102 -4.873 541 HA ILE 72 HA ILE 72 0.104 4.185 -5.629 542 HB ILE 72 HB ILE 72 1.559 3.955 -2.978 543 HG12 ILE 72 2HG1 ILE 72 1.410 2.021 -5.313 544 HG13 ILE 72 1HG1 ILE 72 2.798 3.050 -4.957 545 HG21 ILE 72 1HG2 ILE 72 -1.076 3.201 -3.821 546 HG22 ILE 72 2HG2 ILE 72 -0.303 2.931 -2.259 547 HG23 ILE 72 3HG2 ILE 72 -0.124 1.743 -3.549 548 HD11 ILE 72 1HD1 ILE 72 3.342 0.996 -3.924 549 HD12 ILE 72 2HD1 ILE 72 1.697 0.760 -3.333 550 HD13 ILE 72 3HD1 ILE 72 2.729 1.986 -2.599 551 H ASP 73 H ASP 73 1.270 6.531 -3.239 552 HA ASP 73 HA ASP 73 -1.187 7.007 -1.907 553 HB2 ASP 73 2HB ASP 73 1.078 7.864 -1.212 554 HB3 ASP 73 1HB ASP 73 0.953 9.068 -2.495 555 H ALA 74 H ALA 74 0.139 8.491 -4.863 556 HA ALA 74 HA ALA 74 -1.965 10.418 -5.156 557 HB1 ALA 74 1HB ALA 74 0.282 9.430 -6.757 558 HB2 ALA 74 2HB ALA 74 -0.376 11.061 -6.634 559 HB3 ALA 74 3HB ALA 74 -1.112 9.893 -7.733 560 H PHE 75 H PHE 75 -1.565 7.138 -6.492 561 HA PHE 75 HA PHE 75 -3.923 7.177 -8.096 562 HB2 PHE 75 2HB PHE 75 -2.153 5.434 -8.244 563 HB3 PHE 75 1HB PHE 75 -2.700 4.795 -6.695 564 HD1 PHE 75 1HD PHE 75 -3.611 5.315 -10.239 565 HD2 PHE 75 2HD PHE 75 -4.773 3.565 -6.492 566 HE1 PHE 75 1HE PHE 75 -5.381 4.017 -11.393 567 HE2 PHE 75 2HE PHE 75 -6.543 2.267 -7.646 568 HZ PHE 75 HZ PHE 75 -6.847 2.492 -10.097 569 H VAL 76 H VAL 76 -3.438 5.984 -4.757 570 HA VAL 76 HA VAL 76 -6.189 5.301 -4.356 571 HB VAL 76 HB VAL 76 -3.953 5.956 -2.421 572 HG11 VAL 76 1HG1 VAL 76 -5.918 6.366 -1.181 573 HG12 VAL 76 2HG1 VAL 76 -5.528 4.687 -0.818 574 HG13 VAL 76 3HG1 VAL 76 -6.797 5.064 -1.982 575 HG21 VAL 76 1HG2 VAL 76 -4.154 3.822 -4.053 576 HG22 VAL 76 2HG2 VAL 76 -5.172 3.253 -2.729 577 HG23 VAL 76 3HG2 VAL 76 -3.494 3.699 -2.421 578 H VAL 77 H VAL 77 -4.303 8.233 -3.537 579 HA VAL 77 HA VAL 77 -6.442 9.608 -2.246 580 HB VAL 77 HB VAL 77 -3.976 10.572 -3.705 581 HG11 VAL 77 1HG1 VAL 77 -4.497 12.744 -2.465 582 HG12 VAL 77 2HG1 VAL 77 -6.123 12.104 -2.235 583 HG13 VAL 77 3HG1 VAL 77 -5.509 12.386 -3.862 584 HG21 VAL 77 1HG2 VAL 77 -3.856 9.275 -1.490 585 HG22 VAL 77 2HG2 VAL 77 -4.648 10.669 -0.755 586 HG23 VAL 77 3HG2 VAL 77 -3.068 10.853 -1.515 587 H GLY 78 H GLY 78 -5.422 9.463 -5.639 588 HA2 GLY 78 2HA GLY 78 -7.118 11.478 -6.667 589 HA3 GLY 78 1HA GLY 78 -6.562 10.083 -7.588 590 H ALA 79 H ALA 79 -7.836 8.111 -5.814 591 HA ALA 79 HA ALA 79 -10.629 8.530 -6.757 592 HB1 ALA 79 1HB ALA 79 -9.897 5.874 -5.731 593 HB2 ALA 79 2HB ALA 79 -8.955 6.394 -7.128 594 HB3 ALA 79 3HB ALA 79 -10.714 6.315 -7.230 595 H THR 80 H THR 80 -8.861 7.272 -3.917 596 HA THR 80 HA THR 80 -10.871 8.466 -2.148 597 HB THR 80 HB THR 80 -10.506 5.466 -2.190 598 HG1 THR 80 1HG THR 80 -12.747 5.569 -2.829 599 HG21 THR 80 1HG2 THR 80 -12.245 5.446 -0.491 600 HG22 THR 80 2HG2 THR 80 -12.415 7.198 -0.603 601 HG23 THR 80 3HG2 THR 80 -10.933 6.496 0.045 602 H THR 81 H THR 81 -9.964 8.911 -0.149 603 HA THR 81 HA THR 81 -7.269 7.732 0.387 604 HB THR 81 HB THR 81 -7.199 10.153 -0.160 605 HG1 THR 81 1HG THR 81 -6.772 9.996 2.597 606 HG21 THR 81 1HG2 THR 81 -8.476 10.941 2.373 607 HG22 THR 81 2HG2 THR 81 -9.589 10.270 1.183 608 HG23 THR 81 3HG2 THR 81 -8.602 11.672 0.773 609 HA PRO 82 HA PRO 82 -9.856 6.648 4.009 610 HB2 PRO 82 2HB PRO 82 -9.497 4.001 3.972 611 HB3 PRO 82 1HB PRO 82 -10.554 4.793 2.785 612 HG2 PRO 82 2HG PRO 82 -7.821 3.696 2.443 613 HG3 PRO 82 1HG PRO 82 -9.166 3.767 1.292 614 HD2 PRO 82 2HD PRO 82 -6.969 5.578 1.455 615 HD3 PRO 82 1HD PRO 82 -8.422 5.751 0.446 616 HA PRO 83 HA PRO 83 -5.901 6.475 6.333 617 HB2 PRO 83 2HB PRO 83 -6.808 7.651 8.617 618 HB3 PRO 83 1HB PRO 83 -6.338 8.576 7.177 619 HG2 PRO 83 2HG PRO 83 -9.035 7.911 8.202 620 HG3 PRO 83 1HG PRO 83 -8.473 9.349 7.337 621 HD2 PRO 83 2HD PRO 83 -9.898 7.240 6.190 622 HD3 PRO 83 1HD PRO 83 -8.942 8.438 5.290 623 H VAL 84 H VAL 84 -5.210 4.772 7.596 624 HA VAL 84 HA VAL 84 -7.271 3.327 9.223 625 HB VAL 84 HB VAL 84 -4.944 2.089 7.722 626 HG11 VAL 84 1HG1 VAL 84 -7.310 0.809 9.122 627 HG12 VAL 84 2HG1 VAL 84 -5.696 0.938 9.820 628 HG13 VAL 84 3HG1 VAL 84 -5.952 -0.026 8.366 629 HG21 VAL 84 1HG2 VAL 84 -6.434 2.639 6.008 630 HG22 VAL 84 2HG2 VAL 84 -7.846 2.491 7.054 631 HG23 VAL 84 3HG2 VAL 84 -7.020 1.043 6.479 632 H GLU 85 H GLU 85 -6.693 2.980 11.332 633 HA GLU 85 HA GLU 85 -4.393 4.248 12.451 634 HB2 GLU 85 2HB GLU 85 -6.476 3.671 13.719 635 HB3 GLU 85 1HB GLU 85 -6.001 1.974 13.651 636 HG2 GLU 85 2HG GLU 85 -3.864 2.562 14.796 637 HG3 GLU 85 1HG GLU 85 -4.435 4.225 14.945 638 H ALA 86 H ALA 86 -4.996 0.903 11.443 639 HA ALA 86 HA ALA 86 -2.085 0.452 11.344 640 HB1 ALA 86 1HB ALA 86 -3.359 -1.822 12.637 641 HB2 ALA 86 2HB ALA 86 -3.522 -0.359 13.608 642 HB3 ALA 86 3HB ALA 86 -1.922 -0.924 13.126 643 H LYS 87 H LYS 87 -1.546 -1.326 9.957 644 HA LYS 87 HA LYS 87 -3.344 -1.799 7.804 645 HB2 LYS 87 2HB LYS 87 -0.841 -2.091 7.728 646 HB3 LYS 87 1HB LYS 87 -1.045 -3.587 8.641 647 HG2 LYS 87 2HG LYS 87 -2.541 -4.452 6.856 648 HG3 LYS 87 1HG LYS 87 -2.262 -2.976 5.931 649 HD2 LYS 87 2HD LYS 87 0.217 -3.502 6.041 650 HD3 LYS 87 1HD LYS 87 -0.223 -5.077 6.700 651 HE2 LYS 87 2HE LYS 87 -0.596 -4.004 3.942 652 HE3 LYS 87 1HE LYS 87 -0.180 -5.635 4.466 653 HZ1 LYS 87 1HZ LYS 87 -2.849 -4.346 4.615 654 HZ2 LYS 87 2HZ LYS 87 -2.478 -5.858 5.294 655 HZ3 LYS 87 3HZ LYS 87 -2.397 -5.637 3.612 656 H LEU 88 H LEU 88 -2.686 -3.656 10.748 657 HA LEU 88 HA LEU 88 -4.603 -5.747 9.906 658 HB2 LEU 88 2HB LEU 88 -3.050 -5.486 12.499 659 HB3 LEU 88 1HB LEU 88 -3.910 -6.917 11.928 660 HG LEU 88 HG LEU 88 -1.509 -5.617 10.608 661 HD11 LEU 88 1HD1 LEU 88 -0.275 -7.495 11.327 662 HD12 LEU 88 2HD1 LEU 88 -1.730 -8.432 11.667 663 HD13 LEU 88 3HD1 LEU 88 -1.271 -7.100 12.727 664 HD21 LEU 88 1HD2 LEU 88 -2.728 -6.452 8.793 665 HD22 LEU 88 2HD2 LEU 88 -3.430 -7.763 9.741 666 HD23 LEU 88 3HD2 LEU 88 -1.744 -7.849 9.231 667 H GLN 89 H GLN 89 -6.624 -6.026 10.870 668 HA GLN 89 HA GLN 89 -7.899 -3.717 11.996 669 HB2 GLN 89 2HB GLN 89 -8.750 -6.629 11.993 670 HB3 GLN 89 1HB GLN 89 -9.793 -5.281 12.445 671 HG2 GLN 89 2HG GLN 89 -9.526 -4.296 10.212 672 HG3 GLN 89 1HG GLN 89 -8.435 -5.604 9.751 673 HE21 GLN 89 1HE2 GLN 89 -10.857 -5.167 8.307 674 HE22 GLN 89 2HE2 GLN 89 -11.906 -6.469 8.600 675 H1 PN7 101 3HO SAT 101 2.664 -7.880 -12.399 676 H2 PN7 101 1H1 SAT 101 2.865 -8.998 -11.034 677 H3 PN7 101 2H1 SAT 101 3.260 -8.249 -9.487 678 H5 PN7 101 1HE1 SAT 101 1.310 -5.478 -10.528 679 H6 PN7 101 2HE1 SAT 101 2.928 -6.162 -10.658 680 H7 PN7 101 3HE1 SAT 101 2.151 -6.034 -9.082 681 H8 PN7 101 2HE2 SAT 101 -0.303 -6.892 -9.204 682 H9 PN7 101 3HE2 SAT 101 0.657 -8.105 -8.358 683 H10 PN7 101 1HE2 SAT 101 -0.416 -8.588 -9.671 684 H11 PN7 101 3H SAT 101 0.510 -8.774 -11.896 685 H12 PN7 101 5H SAT 101 0.475 -5.072 -12.450 686 H13 PN7 101 1H6 SAT 101 -1.723 -6.387 -13.990 687 H14 PN7 101 2H6 SAT 101 -1.397 -4.655 -14.008 688 H15 PN7 101 1H7 SAT 101 1.007 -5.711 -14.850 689 H16 PN7 101 2H7 SAT 101 -0.247 -5.081 -15.918 690 H17 PN7 101 9H SAT 101 0.735 -8.704 -14.839 691 H18 PN7 101 1H10 SAT 101 1.521 -8.477 -17.523 692 H19 PN7 101 2H10 SAT 101 2.285 -7.127 -16.684 693 H20 PN7 101 1H11 SAT 101 2.697 -10.082 -16.268 694 H21 PN7 101 2H11 SAT 101 3.072 -8.934 -14.981 695 H22 PN7 101 2HS1 SAT 101 4.367 -8.013 -17.538 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -0.981 12.484 0.674 2 H2 MET 1 2HT MET 1 -2.587 12.535 1.226 3 H3 MET 1 3HT MET 1 -2.051 11.229 0.279 4 HA MET 1 HA MET 1 -1.204 10.144 2.012 5 HB2 MET 1 2HB MET 1 -0.247 12.858 2.964 6 HB3 MET 1 1HB MET 1 0.139 11.331 3.759 7 HG2 MET 1 2HG MET 1 1.105 10.522 1.585 8 HG3 MET 1 1HG MET 1 0.866 12.143 0.932 9 HE1 MET 1 1HE MET 1 3.026 14.451 2.865 10 HE2 MET 1 2HE MET 1 1.636 13.927 3.811 11 HE3 MET 1 3HE MET 1 1.472 14.160 2.073 12 H GLN 2 H GLN 2 -3.897 11.186 1.884 13 HA GLN 2 HA GLN 2 -4.811 12.294 4.336 14 HB2 GLN 2 2HB GLN 2 -6.202 10.362 2.451 15 HB3 GLN 2 1HB GLN 2 -7.007 11.276 3.726 16 HG2 GLN 2 2HG GLN 2 -6.317 13.387 2.679 17 HG3 GLN 2 1HG GLN 2 -5.461 12.496 1.420 18 HE21 GLN 2 1HE2 GLN 2 -7.583 14.273 0.735 19 HE22 GLN 2 2HE2 GLN 2 -8.891 13.359 0.157 20 H HIS 3 H HIS 3 -4.122 8.962 3.388 21 HA HIS 3 HA HIS 3 -4.065 8.205 6.248 22 HB2 HIS 3 2HB HIS 3 -6.271 7.579 4.581 23 HB3 HIS 3 1HB HIS 3 -5.351 6.087 4.768 24 HD1 HIS 3 1HD HIS 3 -6.409 4.803 6.628 25 HD2 HIS 3 2HD HIS 3 -6.149 8.870 7.522 26 HE1 HIS 3 1HE HIS 3 -7.255 5.073 9.002 27 HE2 HIS 3 2HE HIS 3 -7.102 7.544 9.556 28 H ALA 4 H ALA 4 -2.118 8.579 4.050 29 HA ALA 4 HA ALA 4 -1.254 6.105 2.953 30 HB1 ALA 4 1HB ALA 4 0.171 8.677 3.616 31 HB2 ALA 4 2HB ALA 4 -0.271 8.044 2.031 32 HB3 ALA 4 3HB ALA 4 1.042 7.299 2.944 33 H SER 5 H SER 5 -0.699 7.554 6.130 34 HA SER 5 HA SER 5 1.450 5.897 6.960 35 HB2 SER 5 2HB SER 5 0.809 6.462 9.230 36 HB3 SER 5 1HB SER 5 0.562 7.884 8.219 37 HG SER 5 HG SER 5 -1.659 7.170 8.037 38 H VAL 6 H VAL 6 -2.057 5.327 7.026 39 HA VAL 6 HA VAL 6 -1.864 2.790 8.392 40 HB VAL 6 HB VAL 6 -3.989 3.929 6.566 41 HG11 VAL 6 1HG1 VAL 6 -5.286 2.042 7.983 42 HG12 VAL 6 2HG1 VAL 6 -3.698 1.280 7.896 43 HG13 VAL 6 3HG1 VAL 6 -4.556 1.704 6.413 44 HG21 VAL 6 1HG2 VAL 6 -3.613 3.750 9.558 45 HG22 VAL 6 2HG2 VAL 6 -5.197 4.028 8.835 46 HG23 VAL 6 3HG2 VAL 6 -3.895 5.191 8.581 47 H ILE 7 H ILE 7 -1.858 3.788 5.005 48 HA ILE 7 HA ILE 7 -1.931 1.189 3.841 49 HB ILE 7 HB ILE 7 -0.556 3.703 2.846 50 HG12 ILE 7 2HG1 ILE 7 -3.317 2.588 2.248 51 HG13 ILE 7 1HG1 ILE 7 -2.997 3.934 3.343 52 HG21 ILE 7 1HG2 ILE 7 -1.379 1.130 1.469 53 HG22 ILE 7 2HG2 ILE 7 0.251 1.787 1.614 54 HG23 ILE 7 3HG2 ILE 7 -0.940 2.601 0.600 55 HD11 ILE 7 1HD1 ILE 7 -3.313 4.022 0.514 56 HD12 ILE 7 2HD1 ILE 7 -1.635 4.432 0.870 57 HD13 ILE 7 3HD1 ILE 7 -2.945 5.358 1.604 58 H ALA 8 H ALA 8 0.851 3.268 4.676 59 HA ALA 8 HA ALA 8 2.850 1.328 3.992 60 HB1 ALA 8 1HB ALA 8 3.851 3.382 4.235 61 HB2 ALA 8 2HB ALA 8 4.110 2.790 5.876 62 HB3 ALA 8 3HB ALA 8 2.760 3.873 5.531 63 H GLN 9 H GLN 9 1.336 2.187 7.093 64 HA GLN 9 HA GLN 9 2.729 0.253 8.673 65 HB2 GLN 9 2HB GLN 9 1.419 2.156 9.608 66 HB3 GLN 9 1HB GLN 9 -0.065 1.364 9.078 67 HG2 GLN 9 2HG GLN 9 1.291 -0.625 10.480 68 HG3 GLN 9 1HG GLN 9 1.571 0.832 11.431 69 HE21 GLN 9 1HE2 GLN 9 -1.108 -0.949 9.809 70 HE22 GLN 9 2HE2 GLN 9 -2.290 -0.505 10.946 71 H PHE 10 H PHE 10 -0.378 0.136 6.978 72 HA PHE 10 HA PHE 10 -1.043 -2.549 7.762 73 HB2 PHE 10 2HB PHE 10 -2.651 -0.828 6.869 74 HB3 PHE 10 1HB PHE 10 -1.923 -1.053 5.279 75 HD1 PHE 10 1HD PHE 10 -2.387 -2.993 3.951 76 HD2 PHE 10 2HD PHE 10 -3.844 -2.710 7.979 77 HE1 PHE 10 1HE PHE 10 -3.850 -4.957 3.559 78 HE2 PHE 10 2HE PHE 10 -5.305 -4.676 7.591 79 HZ PHE 10 HZ PHE 10 -5.310 -5.796 5.379 80 H VAL 11 H VAL 11 0.351 -1.189 4.791 81 HA VAL 11 HA VAL 11 0.741 -3.716 3.484 82 HB VAL 11 HB VAL 11 2.147 -1.056 3.102 83 HG11 VAL 11 1HG1 VAL 11 2.066 -2.574 0.716 84 HG12 VAL 11 2HG1 VAL 11 2.647 -3.664 1.975 85 HG13 VAL 11 3HG1 VAL 11 3.490 -2.145 1.665 86 HG21 VAL 11 1HG2 VAL 11 0.087 -2.174 1.244 87 HG22 VAL 11 2HG2 VAL 11 0.455 -0.493 1.630 88 HG23 VAL 11 3HG2 VAL 11 -0.466 -1.477 2.767 89 H VAL 12 H VAL 12 2.940 -1.642 5.382 90 HA VAL 12 HA VAL 12 5.232 -3.330 5.119 91 HB VAL 12 HB VAL 12 4.485 -1.422 7.341 92 HG11 VAL 12 1HG1 VAL 12 7.141 -2.659 6.563 93 HG12 VAL 12 2HG1 VAL 12 6.246 -2.961 8.050 94 HG13 VAL 12 3HG1 VAL 12 6.944 -1.371 7.751 95 HG21 VAL 12 1HG2 VAL 12 6.523 -0.762 5.284 96 HG22 VAL 12 2HG2 VAL 12 5.325 0.279 6.054 97 HG23 VAL 12 3HG2 VAL 12 4.848 -0.788 4.734 98 H GLU 13 H GLU 13 2.563 -3.281 7.432 99 HA GLU 13 HA GLU 13 3.562 -5.128 9.323 100 HB2 GLU 13 2HB GLU 13 1.450 -3.836 9.583 101 HB3 GLU 13 1HB GLU 13 0.705 -4.877 8.377 102 HG2 GLU 13 2HG GLU 13 1.220 -6.851 9.805 103 HG3 GLU 13 1HG GLU 13 1.848 -5.752 11.031 104 H GLU 14 H GLU 14 2.215 -5.648 6.124 105 HA GLU 14 HA GLU 14 1.748 -8.463 6.373 106 HB2 GLU 14 2HB GLU 14 0.856 -7.065 4.523 107 HB3 GLU 14 1HB GLU 14 2.492 -6.880 3.896 108 HG2 GLU 14 2HG GLU 14 2.654 -9.363 3.700 109 HG3 GLU 14 1HG GLU 14 0.972 -9.481 4.213 110 H PHE 15 H PHE 15 4.626 -6.563 5.679 111 HA PHE 15 HA PHE 15 6.259 -8.997 6.080 112 HB2 PHE 15 2HB PHE 15 7.704 -8.208 4.074 113 HB3 PHE 15 1HB PHE 15 6.214 -9.082 3.723 114 HD1 PHE 15 1HD PHE 15 4.227 -7.911 2.891 115 HD2 PHE 15 2HD PHE 15 7.910 -5.824 3.612 116 HE1 PHE 15 1HE PHE 15 3.387 -5.980 1.587 117 HE2 PHE 15 2HE PHE 15 7.071 -3.891 2.305 118 HZ PHE 15 HZ PHE 15 4.809 -3.969 1.291 119 H LEU 16 H LEU 16 6.027 -7.082 7.968 120 HA LEU 16 HA LEU 16 7.990 -4.975 7.598 121 HB2 LEU 16 2HB LEU 16 7.314 -4.159 9.676 122 HB3 LEU 16 1HB LEU 16 5.861 -4.932 9.082 123 HG LEU 16 HG LEU 16 7.831 -6.222 10.993 124 HD11 LEU 16 1HD1 LEU 16 5.773 -5.970 12.534 125 HD12 LEU 16 2HD1 LEU 16 5.233 -4.753 11.377 126 HD13 LEU 16 3HD1 LEU 16 6.758 -4.538 12.236 127 HD21 LEU 16 1HD2 LEU 16 6.589 -7.836 9.569 128 HD22 LEU 16 2HD2 LEU 16 5.074 -7.061 10.024 129 HD23 LEU 16 3HD2 LEU 16 6.030 -7.909 11.238 130 HA PRO 17 HA PRO 17 11.427 -7.481 8.938 131 HB2 PRO 17 2HB PRO 17 13.253 -5.485 9.356 132 HB3 PRO 17 1HB PRO 17 12.790 -6.041 7.738 133 HG2 PRO 17 2HG PRO 17 11.902 -3.633 9.235 134 HG3 PRO 17 1HG PRO 17 12.264 -3.824 7.513 135 HD2 PRO 17 2HD PRO 17 9.714 -3.785 8.529 136 HD3 PRO 17 1HD PRO 17 10.163 -4.620 7.028 137 H ASP 18 H ASP 18 13.317 -6.369 10.878 138 HA ASP 18 HA ASP 18 11.802 -6.902 13.310 139 HB2 ASP 18 2HB ASP 18 14.678 -6.104 12.828 140 HB3 ASP 18 1HB ASP 18 14.019 -6.479 14.415 141 H VAL 19 H VAL 19 11.733 -4.320 11.439 142 HA VAL 19 HA VAL 19 11.879 -2.341 13.681 143 HB VAL 19 HB VAL 19 11.983 -1.838 10.693 144 HG11 VAL 19 1HG1 VAL 19 11.146 0.097 11.847 145 HG12 VAL 19 2HG1 VAL 19 12.851 0.406 11.519 146 HG13 VAL 19 3HG1 VAL 19 12.337 -0.080 13.136 147 HG21 VAL 19 1HG2 VAL 19 14.030 -2.624 12.641 148 HG22 VAL 19 2HG2 VAL 19 14.422 -1.117 11.813 149 HG23 VAL 19 3HG2 VAL 19 14.117 -2.583 10.880 150 H ALA 20 H ALA 20 10.011 -1.225 14.190 151 HA ALA 20 HA ALA 20 7.497 -2.148 13.119 152 HB1 ALA 20 1HB ALA 20 6.511 -0.347 14.511 153 HB2 ALA 20 2HB ALA 20 8.128 0.290 14.808 154 HB3 ALA 20 3HB ALA 20 7.681 -1.302 15.422 155 HA PRO 21 HA PRO 21 7.210 0.332 9.415 156 HB2 PRO 21 2HB PRO 21 4.446 1.004 10.296 157 HB3 PRO 21 1HB PRO 21 5.006 0.319 8.761 158 HG2 PRO 21 2HG PRO 21 3.769 -1.141 10.660 159 HG3 PRO 21 1HG PRO 21 4.964 -1.812 9.542 160 HD2 PRO 21 2HD PRO 21 5.218 -1.289 12.437 161 HD3 PRO 21 1HD PRO 21 6.156 -2.376 11.390 162 H ALA 22 H ALA 22 6.049 1.630 12.485 163 HA ALA 22 HA ALA 22 6.007 4.397 11.688 164 HB1 ALA 22 1HB ALA 22 5.947 2.883 14.258 165 HB2 ALA 22 2HB ALA 22 4.852 4.133 13.665 166 HB3 ALA 22 3HB ALA 22 6.421 4.580 14.336 167 H ASP 23 H ASP 23 8.526 2.201 12.654 168 HA ASP 23 HA ASP 23 10.462 4.458 12.868 169 HB2 ASP 23 2HB ASP 23 10.672 1.549 13.704 170 HB3 ASP 23 1HB ASP 23 11.990 2.715 13.828 171 H VAL 24 H VAL 24 9.229 2.626 10.518 172 HA VAL 24 HA VAL 24 11.814 1.944 9.227 173 HB VAL 24 HB VAL 24 9.520 0.529 9.281 174 HG11 VAL 24 1HG1 VAL 24 8.191 0.850 7.330 175 HG12 VAL 24 2HG1 VAL 24 9.360 1.967 6.627 176 HG13 VAL 24 3HG1 VAL 24 8.397 2.458 8.020 177 HG21 VAL 24 1HG2 VAL 24 11.692 0.770 7.222 178 HG22 VAL 24 2HG2 VAL 24 10.365 -0.358 6.945 179 HG23 VAL 24 3HG2 VAL 24 11.388 -0.532 8.371 180 H ASP 25 H ASP 25 12.489 2.988 7.324 181 HA ASP 25 HA ASP 25 11.499 5.684 6.958 182 HB2 ASP 25 2HB ASP 25 13.880 4.941 6.561 183 HB3 ASP 25 1HB ASP 25 13.316 4.116 5.108 184 H VAL 26 H VAL 26 9.299 5.510 6.343 185 HA VAL 26 HA VAL 26 8.328 3.806 4.257 186 HB VAL 26 HB VAL 26 6.353 5.242 4.255 187 HG11 VAL 26 1HG1 VAL 26 7.274 3.843 6.399 188 HG12 VAL 26 2HG1 VAL 26 5.707 4.651 6.366 189 HG13 VAL 26 3HG1 VAL 26 7.091 5.442 7.119 190 HG21 VAL 26 1HG2 VAL 26 8.336 7.209 5.183 191 HG22 VAL 26 2HG2 VAL 26 6.824 7.247 6.091 192 HG23 VAL 26 3HG2 VAL 26 6.808 7.467 4.341 193 H ASP 27 H ASP 27 10.659 6.028 3.925 194 HA ASP 27 HA ASP 27 9.689 7.164 1.360 195 HB2 ASP 27 2HB ASP 27 12.220 7.658 2.962 196 HB3 ASP 27 1HB ASP 27 11.835 8.453 1.435 197 H LEU 28 H LEU 28 10.802 4.304 2.209 198 HA LEU 28 HA LEU 28 12.973 4.022 0.227 199 HB2 LEU 28 2HB LEU 28 13.053 2.846 2.436 200 HB3 LEU 28 1HB LEU 28 11.640 1.913 1.951 201 HG LEU 28 HG LEU 28 13.089 1.339 -0.167 202 HD11 LEU 28 1HD1 LEU 28 15.165 2.176 1.877 203 HD12 LEU 28 2HD1 LEU 28 14.932 2.853 0.265 204 HD13 LEU 28 3HD1 LEU 28 15.518 1.201 0.450 205 HD21 LEU 28 1HD2 LEU 28 13.411 0.222 2.620 206 HD22 LEU 28 2HD2 LEU 28 14.199 -0.525 1.230 207 HD23 LEU 28 3HD2 LEU 28 12.439 -0.413 1.292 208 H ASP 29 H ASP 29 12.689 3.122 -1.780 209 HA ASP 29 HA ASP 29 10.048 2.872 -2.858 210 HB2 ASP 29 2HB ASP 29 12.708 1.822 -3.877 211 HB3 ASP 29 1HB ASP 29 11.213 1.824 -4.814 212 H LEU 30 H LEU 30 8.651 1.215 -2.519 213 HA LEU 30 HA LEU 30 9.525 -1.175 -1.130 214 HB2 LEU 30 2HB LEU 30 7.151 -1.876 -1.360 215 HB3 LEU 30 1HB LEU 30 7.301 -0.242 -0.713 216 HG LEU 30 HG LEU 30 7.230 -0.243 -3.625 217 HD11 LEU 30 1HD1 LEU 30 4.709 -0.772 -3.624 218 HD12 LEU 30 2HD1 LEU 30 5.003 -1.578 -2.084 219 HD13 LEU 30 3HD1 LEU 30 5.813 -2.145 -3.544 220 HD21 LEU 30 1HD2 LEU 30 5.301 0.950 -1.623 221 HD22 LEU 30 2HD2 LEU 30 5.650 1.522 -3.254 222 HD23 LEU 30 3HD2 LEU 30 6.871 1.668 -1.988 223 H VAL 31 H VAL 31 10.110 -0.390 -4.210 224 HA VAL 31 HA VAL 31 9.102 -2.474 -5.822 225 HB VAL 31 HB VAL 31 11.809 -1.106 -5.888 226 HG11 VAL 31 1HG1 VAL 31 11.591 -1.963 -8.378 227 HG12 VAL 31 2HG1 VAL 31 10.581 -3.205 -7.640 228 HG13 VAL 31 3HG1 VAL 31 12.259 -3.015 -7.132 229 HG21 VAL 31 1HG2 VAL 31 10.468 -0.257 -8.076 230 HG22 VAL 31 2HG2 VAL 31 10.371 0.569 -6.521 231 HG23 VAL 31 3HG2 VAL 31 9.102 -0.556 -7.003 232 H ASP 32 H ASP 32 11.936 -2.447 -3.687 233 HA ASP 32 HA ASP 32 12.893 -5.056 -4.268 234 HB2 ASP 32 2HB ASP 32 14.010 -3.354 -2.753 235 HB3 ASP 32 1HB ASP 32 12.830 -3.782 -1.514 236 H ASN 33 H ASN 33 10.262 -3.899 -2.256 237 HA ASN 33 HA ASN 33 9.581 -6.589 -1.298 238 HB2 ASN 33 2HB ASN 33 8.096 -3.968 -1.023 239 HB3 ASN 33 1HB ASN 33 7.715 -5.459 -0.165 240 HD21 ASN 33 1HD2 ASN 33 9.616 -2.604 -0.045 241 HD22 ASN 33 2HD2 ASN 33 10.611 -3.047 1.257 242 H GLY 34 H GLY 34 9.485 -5.482 -4.219 243 HA2 GLY 34 2HA GLY 34 6.957 -5.263 -5.283 244 HA3 GLY 34 1HA GLY 34 8.229 -6.179 -6.093 245 H VAL 35 H VAL 35 8.146 -7.928 -3.490 246 HA VAL 35 HA VAL 35 6.725 -10.119 -4.535 247 HB VAL 35 HB VAL 35 7.284 -9.326 -1.662 248 HG11 VAL 35 1HG1 VAL 35 5.658 -11.515 -2.774 249 HG12 VAL 35 2HG1 VAL 35 5.715 -10.878 -1.129 250 HG13 VAL 35 3HG1 VAL 35 6.917 -12.052 -1.662 251 HG21 VAL 35 1HG2 VAL 35 9.116 -9.955 -3.426 252 HG22 VAL 35 2HG2 VAL 35 8.514 -11.598 -3.207 253 HG23 VAL 35 3HG2 VAL 35 9.171 -10.708 -1.833 254 H ILE 36 H ILE 36 5.599 -7.427 -2.539 255 HA ILE 36 HA ILE 36 2.938 -8.455 -2.114 256 HB ILE 36 HB ILE 36 4.227 -6.518 -0.906 257 HG12 ILE 36 2HG1 ILE 36 1.293 -6.516 -1.643 258 HG13 ILE 36 1HG1 ILE 36 2.044 -7.144 -0.180 259 HG21 ILE 36 1HG2 ILE 36 2.694 -4.869 -2.912 260 HG22 ILE 36 2HG2 ILE 36 4.373 -5.321 -3.215 261 HG23 ILE 36 3HG2 ILE 36 3.963 -4.352 -1.801 262 HD11 ILE 36 1HD1 ILE 36 1.440 -5.140 0.715 263 HD12 ILE 36 2HD1 ILE 36 1.298 -4.372 -0.865 264 HD13 ILE 36 3HD1 ILE 36 2.881 -4.547 -0.110 265 H ASP 37 H ASP 37 4.470 -6.722 -4.709 266 HA ASP 37 HA ASP 37 2.228 -5.502 -5.914 267 HB2 ASP 37 2HB ASP 37 4.690 -6.688 -7.219 268 HB3 ASP 37 1HB ASP 37 3.527 -5.652 -8.043 269 H SER 38 H SER 38 3.308 -8.876 -6.108 270 HA SER 38 HA SER 38 1.045 -9.399 -7.969 271 HB2 SER 38 2HB SER 38 3.642 -10.194 -8.154 272 HB3 SER 38 1HB SER 38 2.916 -11.594 -7.374 273 H LEU 39 H LEU 39 2.595 -11.237 -5.298 274 HA LEU 39 HA LEU 39 0.172 -12.719 -4.828 275 HB2 LEU 39 2HB LEU 39 2.779 -12.464 -3.373 276 HB3 LEU 39 1HB LEU 39 1.441 -13.346 -2.645 277 HG LEU 39 HG LEU 39 2.996 -14.808 -3.959 278 HD11 LEU 39 1HD1 LEU 39 0.589 -15.022 -5.604 279 HD12 LEU 39 2HD1 LEU 39 0.215 -14.807 -3.894 280 HD13 LEU 39 3HD1 LEU 39 1.235 -16.149 -4.412 281 HD21 LEU 39 1HD2 LEU 39 3.092 -14.620 -6.359 282 HD22 LEU 39 2HD2 LEU 39 3.461 -13.028 -5.697 283 HD23 LEU 39 3HD2 LEU 39 1.862 -13.356 -6.365 284 H GLY 40 H GLY 40 1.795 -10.218 -2.868 285 HA2 GLY 40 2HA GLY 40 -0.298 -10.079 -0.915 286 HA3 GLY 40 1HA GLY 40 0.929 -8.846 -1.173 287 H LEU 41 H LEU 41 0.271 -8.361 -3.946 288 HA LEU 41 HA LEU 41 -1.659 -6.317 -3.653 289 HB2 LEU 41 2HB LEU 41 0.003 -6.512 -5.519 290 HB3 LEU 41 1HB LEU 41 -0.979 -7.806 -6.205 291 HG LEU 41 HG LEU 41 -2.919 -6.026 -5.995 292 HD11 LEU 41 1HD1 LEU 41 -2.035 -3.730 -6.398 293 HD12 LEU 41 2HD1 LEU 41 -0.407 -4.336 -6.089 294 HD13 LEU 41 3HD1 LEU 41 -1.610 -4.346 -4.800 295 HD21 LEU 41 1HD2 LEU 41 -2.435 -5.300 -8.286 296 HD22 LEU 41 2HD2 LEU 41 -2.021 -7.006 -8.103 297 HD23 LEU 41 3HD2 LEU 41 -0.749 -5.784 -8.102 298 H LEU 42 H LEU 42 -2.028 -9.643 -4.877 299 HA LEU 42 HA LEU 42 -4.816 -9.404 -5.494 300 HB2 LEU 42 2HB LEU 42 -3.166 -11.815 -4.698 301 HB3 LEU 42 1HB LEU 42 -4.809 -11.904 -5.311 302 HG LEU 42 HG LEU 42 -2.476 -10.657 -6.784 303 HD11 LEU 42 1HD1 LEU 42 -3.692 -12.964 -8.034 304 HD12 LEU 42 2HD1 LEU 42 -3.131 -13.379 -6.414 305 HD13 LEU 42 3HD1 LEU 42 -2.003 -12.709 -7.593 306 HD21 LEU 42 1HD2 LEU 42 -4.412 -11.168 -8.619 307 HD22 LEU 42 2HD2 LEU 42 -4.238 -9.620 -7.794 308 HD23 LEU 42 3HD2 LEU 42 -5.400 -10.806 -7.204 309 H LYS 43 H LYS 43 -3.077 -10.389 -2.557 310 HA LYS 43 HA LYS 43 -5.398 -11.065 -1.033 311 HB2 LYS 43 2HB LYS 43 -2.682 -10.066 -0.161 312 HB3 LYS 43 1HB LYS 43 -3.896 -10.722 0.930 313 HG2 LYS 43 2HG LYS 43 -3.888 -12.838 -0.390 314 HG3 LYS 43 1HG LYS 43 -2.585 -12.179 -1.381 315 HD2 LYS 43 2HD LYS 43 -1.212 -11.898 0.689 316 HD3 LYS 43 1HD LYS 43 -2.494 -12.692 1.606 317 HE2 LYS 43 2HE LYS 43 -2.217 -14.740 0.378 318 HE3 LYS 43 1HE LYS 43 -1.146 -13.964 -0.789 319 HZ1 LYS 43 1HZ LYS 43 -0.530 -15.085 1.754 320 HZ2 LYS 43 2HZ LYS 43 -0.018 -13.467 1.660 321 HZ3 LYS 43 3HZ LYS 43 0.517 -14.598 0.511 322 H VAL 44 H VAL 44 -3.685 -8.017 -1.576 323 HA VAL 44 HA VAL 44 -5.044 -6.463 0.395 324 HB VAL 44 HB VAL 44 -3.829 -5.671 -2.263 325 HG11 VAL 44 1HG1 VAL 44 -3.793 -3.459 -0.597 326 HG12 VAL 44 2HG1 VAL 44 -5.384 -4.155 -0.291 327 HG13 VAL 44 3HG1 VAL 44 -4.916 -3.711 -1.933 328 HG21 VAL 44 1HG2 VAL 44 -2.631 -6.599 0.042 329 HG22 VAL 44 2HG2 VAL 44 -2.587 -4.852 0.276 330 HG23 VAL 44 3HG2 VAL 44 -1.848 -5.568 -1.155 331 H ILE 45 H ILE 45 -5.808 -7.015 -3.050 332 HA ILE 45 HA ILE 45 -8.102 -5.338 -3.135 333 HB ILE 45 HB ILE 45 -7.551 -7.886 -4.685 334 HG12 ILE 45 2HG1 ILE 45 -5.720 -6.322 -4.995 335 HG13 ILE 45 1HG1 ILE 45 -6.728 -6.277 -6.438 336 HG21 ILE 45 1HG2 ILE 45 -9.820 -7.341 -4.999 337 HG22 ILE 45 2HG2 ILE 45 -9.001 -6.618 -6.385 338 HG23 ILE 45 3HG2 ILE 45 -9.488 -5.609 -5.021 339 HD11 ILE 45 1HD1 ILE 45 -7.954 -4.323 -5.175 340 HD12 ILE 45 2HD1 ILE 45 -6.432 -4.004 -6.006 341 HD13 ILE 45 3HD1 ILE 45 -6.449 -4.231 -4.258 342 H ALA 46 H ALA 46 -7.783 -8.806 -2.374 343 HA ALA 46 HA ALA 46 -10.588 -9.277 -2.023 344 HB1 ALA 46 1HB ALA 46 -8.073 -10.655 -1.131 345 HB2 ALA 46 2HB ALA 46 -9.336 -11.238 -2.217 346 HB3 ALA 46 3HB ALA 46 -9.627 -11.177 -0.479 347 H TRP 47 H TRP 47 -8.018 -8.392 0.276 348 HA TRP 47 HA TRP 47 -9.800 -8.363 2.562 349 HB2 TRP 47 2HB TRP 47 -7.621 -8.633 3.266 350 HB3 TRP 47 1HB TRP 47 -6.974 -7.586 2.004 351 HD1 TRP 47 HD TRP 47 -8.594 -7.473 5.461 352 HE1 TRP 47 1HE TRP 47 -8.195 -5.137 6.478 353 HE3 TRP 47 3HE TRP 47 -6.539 -5.106 1.439 354 HZ2 TRP 47 2HZ TRP 47 -7.136 -2.595 5.682 355 HZ3 TRP 47 3HZ TRP 47 -5.842 -2.735 1.589 356 HH2 TRP 47 HH TRP 47 -6.138 -1.479 3.702 357 H LEU 48 H LEU 48 -8.556 -5.902 0.330 358 HA LEU 48 HA LEU 48 -9.522 -3.606 1.687 359 HB2 LEU 48 2HB LEU 48 -7.985 -3.616 -0.308 360 HB3 LEU 48 1HB LEU 48 -9.371 -4.007 -1.309 361 HG LEU 48 HG LEU 48 -10.500 -1.946 -0.404 362 HD11 LEU 48 1HD1 LEU 48 -9.521 -0.973 1.372 363 HD12 LEU 48 2HD1 LEU 48 -8.247 -0.429 0.282 364 HD13 LEU 48 3HD1 LEU 48 -8.063 -1.942 1.168 365 HD21 LEU 48 1HD2 LEU 48 -8.321 -0.608 -1.628 366 HD22 LEU 48 2HD2 LEU 48 -9.806 -1.165 -2.401 367 HD23 LEU 48 3HD2 LEU 48 -8.391 -2.216 -2.348 368 H GLU 49 H GLU 49 -11.121 -5.703 -0.720 369 HA GLU 49 HA GLU 49 -13.543 -4.174 -0.842 370 HB2 GLU 49 2HB GLU 49 -13.177 -5.731 -2.599 371 HB3 GLU 49 1HB GLU 49 -12.902 -7.056 -1.477 372 HG2 GLU 49 2HG GLU 49 -15.228 -7.040 -0.804 373 HG3 GLU 49 1HG GLU 49 -15.538 -5.603 -1.765 374 H ASP 50 H ASP 50 -12.479 -6.783 1.300 375 HA ASP 50 HA ASP 50 -14.990 -7.302 2.523 376 HB2 ASP 50 2HB ASP 50 -12.898 -8.659 2.823 377 HB3 ASP 50 1HB ASP 50 -12.296 -7.383 3.880 378 H ARG 51 H ARG 51 -12.531 -4.844 3.245 379 HA ARG 51 HA ARG 51 -13.892 -3.894 5.614 380 HB2 ARG 51 2HB ARG 51 -11.716 -2.694 3.894 381 HB3 ARG 51 1HB ARG 51 -12.312 -1.946 5.373 382 HG2 ARG 51 2HG ARG 51 -11.775 -4.083 6.590 383 HG3 ARG 51 1HG ARG 51 -11.011 -4.667 5.110 384 HD2 ARG 51 2HD ARG 51 -9.294 -3.710 6.535 385 HD3 ARG 51 1HD ARG 51 -9.524 -2.648 5.146 386 HE ARG 51 HE ARG 51 -11.202 -1.505 6.942 387 HH11 ARG 51 1HH1 ARG 51 -10.615 -0.062 8.578 388 HH12 ARG 51 2HH1 ARG 51 -9.015 -0.127 9.240 389 HH21 ARG 51 1HH2 ARG 51 -7.994 -2.747 7.213 390 HH22 ARG 51 2HH2 ARG 51 -7.534 -1.645 8.468 391 H PHE 52 H PHE 52 -13.743 -2.631 2.242 392 HA PHE 52 HA PHE 52 -15.854 -0.677 3.031 393 HB2 PHE 52 2HB PHE 52 -13.904 -0.731 0.723 394 HB3 PHE 52 1HB PHE 52 -15.181 0.467 0.902 395 HD1 PHE 52 1HD PHE 52 -15.177 2.035 2.836 396 HD2 PHE 52 2HD PHE 52 -11.927 -0.674 2.095 397 HE1 PHE 52 1HE PHE 52 -13.735 3.343 4.373 398 HE2 PHE 52 2HE PHE 52 -10.486 0.633 3.632 399 HZ PHE 52 HZ PHE 52 -11.391 2.643 4.771 400 H GLY 53 H GLY 53 -15.536 -3.630 1.417 401 HA2 GLY 53 2HA GLY 53 -17.125 -4.834 0.154 402 HA3 GLY 53 1HA GLY 53 -18.274 -3.541 0.502 403 H ILE 54 H ILE 54 -15.156 -2.983 -1.032 404 HA ILE 54 HA ILE 54 -16.576 -1.841 -3.363 405 HB ILE 54 HB ILE 54 -13.631 -1.857 -2.637 406 HG12 ILE 54 2HG1 ILE 54 -15.636 0.412 -2.515 407 HG13 ILE 54 1HG1 ILE 54 -15.232 -0.591 -1.122 408 HG21 ILE 54 1HG2 ILE 54 -14.060 0.241 -4.352 409 HG22 ILE 54 2HG2 ILE 54 -15.147 -0.979 -5.014 410 HG23 ILE 54 3HG2 ILE 54 -13.427 -1.329 -4.842 411 HD11 ILE 54 1HD1 ILE 54 -13.880 1.495 -1.190 412 HD12 ILE 54 2HD1 ILE 54 -13.228 0.998 -2.751 413 HD13 ILE 54 3HD1 ILE 54 -12.876 0.050 -1.306 414 H ALA 55 H ALA 55 -16.081 -2.494 -5.542 415 HA ALA 55 HA ALA 55 -15.901 -5.305 -5.941 416 HB1 ALA 55 1HB ALA 55 -15.319 -3.051 -7.888 417 HB2 ALA 55 2HB ALA 55 -16.890 -3.808 -7.620 418 HB3 ALA 55 3HB ALA 55 -15.574 -4.737 -8.337 419 H ALA 56 H ALA 56 -14.143 -6.584 -6.734 420 HA ALA 56 HA ALA 56 -11.646 -6.111 -5.528 421 HB1 ALA 56 1HB ALA 56 -11.854 -8.324 -6.137 422 HB2 ALA 56 2HB ALA 56 -10.883 -7.755 -7.496 423 HB3 ALA 56 3HB ALA 56 -12.628 -7.935 -7.673 424 H ASP 57 H ASP 57 -12.723 -5.344 -8.830 425 HA ASP 57 HA ASP 57 -11.681 -4.033 -10.485 426 HB2 ASP 57 2HB ASP 57 -10.686 -2.670 -7.976 427 HB3 ASP 57 1HB ASP 57 -10.557 -1.988 -9.596 428 H ASP 58 H ASP 58 -10.327 -6.385 -10.148 429 HA ASP 58 HA ASP 58 -7.531 -5.972 -9.494 430 HB2 ASP 58 2HB ASP 58 -8.680 -8.183 -9.341 431 HB3 ASP 58 1HB ASP 58 -8.783 -8.204 -11.100 432 H VAL 59 H VAL 59 -6.191 -4.808 -10.756 433 HA VAL 59 HA VAL 59 -6.496 -5.019 -13.723 434 HB VAL 59 HB VAL 59 -5.565 -2.585 -12.191 435 HG11 VAL 59 1HG1 VAL 59 -4.661 -2.821 -14.483 436 HG12 VAL 59 2HG1 VAL 59 -5.793 -1.474 -14.377 437 HG13 VAL 59 3HG1 VAL 59 -6.301 -2.999 -15.102 438 HG21 VAL 59 1HG2 VAL 59 -8.237 -3.248 -13.455 439 HG22 VAL 59 2HG2 VAL 59 -7.769 -1.628 -12.939 440 HG23 VAL 59 3HG2 VAL 59 -7.926 -2.922 -11.750 441 H GLU 60 H GLU 60 -4.570 -5.332 -14.867 442 HA GLU 60 HA GLU 60 -2.380 -6.520 -13.511 443 HB2 GLU 60 2HB GLU 60 -1.304 -6.629 -15.623 444 HB3 GLU 60 1HB GLU 60 -3.026 -6.755 -15.967 445 HG2 GLU 60 2HG GLU 60 -3.034 -4.263 -16.306 446 HG3 GLU 60 1HG GLU 60 -1.280 -4.317 -16.222 447 H LEU 61 H LEU 61 -2.945 -3.174 -14.439 448 HA LEU 61 HA LEU 61 -1.593 -1.260 -14.140 449 HB2 LEU 61 2HB LEU 61 -0.895 -2.755 -11.595 450 HB3 LEU 61 1HB LEU 61 -0.784 -1.016 -11.852 451 HG LEU 61 HG LEU 61 -3.312 -2.668 -11.899 452 HD11 LEU 61 1HD1 LEU 61 -3.839 -1.701 -9.830 453 HD12 LEU 61 2HD1 LEU 61 -2.695 -0.377 -10.052 454 HD13 LEU 61 3HD1 LEU 61 -2.107 -1.998 -9.678 455 HD21 LEU 61 1HD2 LEU 61 -4.257 -0.208 -11.944 456 HD22 LEU 61 2HD2 LEU 61 -3.761 -0.981 -13.449 457 HD23 LEU 61 3HD2 LEU 61 -2.688 0.169 -12.653 458 H SER 62 H SER 62 0.844 -0.796 -13.030 459 HA SER 62 HA SER 62 2.700 -2.754 -14.292 460 HB2 SER 62 2HB SER 62 2.166 -0.046 -15.148 461 HB3 SER 62 1HB SER 62 3.842 -0.195 -14.627 462 HG SER 62 HG SER 62 2.670 -1.105 -16.861 463 HA PRO 63 HA PRO 63 5.160 -2.437 -10.665 464 HB2 PRO 63 2HB PRO 63 7.700 -2.021 -11.726 465 HB3 PRO 63 1HB PRO 63 6.906 -3.599 -11.572 466 HG2 PRO 63 2HG PRO 63 7.185 -1.840 -13.945 467 HG3 PRO 63 1HG PRO 63 7.191 -3.609 -13.836 468 HD2 PRO 63 2HD PRO 63 5.034 -2.218 -14.735 469 HD3 PRO 63 1HD PRO 63 4.876 -3.753 -13.854 470 H GLU 64 H GLU 64 5.486 0.145 -13.019 471 HA GLU 64 HA GLU 64 7.014 1.983 -11.474 472 HB2 GLU 64 2HB GLU 64 6.472 2.252 -13.896 473 HB3 GLU 64 1HB GLU 64 4.819 2.639 -13.442 474 HG2 GLU 64 2HG GLU 64 5.674 4.516 -12.060 475 HG3 GLU 64 1HG GLU 64 7.298 4.163 -12.639 476 H HIS 65 H HIS 65 3.596 1.152 -11.402 477 HA HIS 65 HA HIS 65 2.743 3.406 -9.827 478 HB2 HIS 65 2HB HIS 65 1.150 1.998 -11.070 479 HB3 HIS 65 1HB HIS 65 1.545 0.627 -10.032 480 HD1 HIS 65 1HD HIS 65 0.469 4.260 -9.467 481 HD2 HIS 65 2HD HIS 65 -0.256 0.439 -7.958 482 HE1 HIS 65 1HE HIS 65 -1.246 4.530 -7.620 483 HE2 HIS 65 2HE HIS 65 -1.694 2.211 -6.696 484 H PHE 66 H PHE 66 4.293 0.376 -9.016 485 HA PHE 66 HA PHE 66 3.757 0.829 -6.129 486 HB2 PHE 66 2HB PHE 66 5.151 -1.467 -7.542 487 HB3 PHE 66 1HB PHE 66 4.759 -1.404 -5.823 488 HD1 PHE 66 1HD PHE 66 3.486 -1.984 -9.181 489 HD2 PHE 66 2HD PHE 66 2.360 -1.319 -5.090 490 HE1 PHE 66 1HE PHE 66 1.206 -2.823 -9.673 491 HE2 PHE 66 2HE PHE 66 0.079 -2.159 -5.582 492 HZ PHE 66 HZ PHE 66 -0.498 -2.910 -7.875 493 H ARG 67 H ARG 67 5.825 2.152 -8.177 494 HA ARG 67 HA ARG 67 8.433 1.615 -7.255 495 HB2 ARG 67 2HB ARG 67 7.847 3.076 -9.206 496 HB3 ARG 67 1HB ARG 67 7.349 4.326 -8.071 497 HG2 ARG 67 2HG ARG 67 9.561 4.930 -8.566 498 HG3 ARG 67 1HG ARG 67 9.735 4.023 -7.067 499 HD2 ARG 67 2HD ARG 67 10.368 2.014 -8.304 500 HD3 ARG 67 1HD ARG 67 10.072 2.833 -9.834 501 HE ARG 67 HE ARG 67 12.094 4.084 -9.519 502 HH11 ARG 67 1HH1 ARG 67 14.135 4.230 -8.578 503 HH12 ARG 67 2HH1 ARG 67 14.459 3.390 -7.099 504 HH21 ARG 67 1HH2 ARG 67 11.275 2.049 -6.846 505 HH22 ARG 67 2HH2 ARG 67 12.843 2.157 -6.122 506 H SER 68 H SER 68 5.952 3.763 -5.876 507 HA SER 68 HA SER 68 7.600 3.859 -3.390 508 HB2 SER 68 2HB SER 68 7.171 6.235 -3.119 509 HB3 SER 68 1HB SER 68 7.917 5.973 -4.693 510 HG SER 68 HG SER 68 5.116 5.944 -4.406 511 H ILE 69 H ILE 69 6.339 4.192 -1.451 512 HA ILE 69 HA ILE 69 3.813 2.877 -1.421 513 HB ILE 69 HB ILE 69 5.020 4.761 0.624 514 HG12 ILE 69 2HG1 ILE 69 5.113 1.746 0.504 515 HG13 ILE 69 1HG1 ILE 69 6.423 2.780 -0.045 516 HG21 ILE 69 1HG2 ILE 69 3.154 4.397 1.806 517 HG22 ILE 69 2HG2 ILE 69 3.468 2.664 1.738 518 HG23 ILE 69 3HG2 ILE 69 2.500 3.433 0.482 519 HD11 ILE 69 1HD1 ILE 69 6.073 1.857 2.549 520 HD12 ILE 69 2HD1 ILE 69 5.469 3.513 2.616 521 HD13 ILE 69 3HD1 ILE 69 7.114 3.197 2.067 522 H ARG 70 H ARG 70 4.694 6.308 -1.528 523 HA ARG 70 HA ARG 70 2.120 7.396 -1.003 524 HB2 ARG 70 2HB ARG 70 4.366 8.465 -2.737 525 HB3 ARG 70 1HB ARG 70 2.968 9.407 -2.217 526 HG2 ARG 70 2HG ARG 70 3.577 8.933 0.156 527 HG3 ARG 70 1HG ARG 70 5.028 8.106 -0.412 528 HD2 ARG 70 2HD ARG 70 4.328 11.017 -0.897 529 HD3 ARG 70 1HD ARG 70 5.575 10.415 0.196 530 HE ARG 70 HE ARG 70 6.260 9.325 -2.259 531 HH11 ARG 70 1HH1 ARG 70 7.637 10.375 -3.711 532 HH12 ARG 70 2HH1 ARG 70 7.787 12.099 -3.650 533 HH21 ARG 70 1HH2 ARG 70 5.561 12.465 -1.016 534 HH22 ARG 70 2HH2 ARG 70 6.612 13.282 -2.123 535 H SER 71 H SER 71 3.553 6.218 -4.034 536 HA SER 71 HA SER 71 1.536 7.193 -5.790 537 HB2 SER 71 2HB SER 71 2.342 5.497 -7.343 538 HB3 SER 71 1HB SER 71 3.718 6.212 -6.510 539 HG SER 71 HG SER 71 3.859 3.947 -6.516 540 H ILE 72 H ILE 72 1.706 4.282 -3.779 541 HA ILE 72 HA ILE 72 -0.601 2.978 -4.838 542 HB ILE 72 HB ILE 72 0.550 2.889 -2.033 543 HG12 ILE 72 2HG1 ILE 72 1.044 1.066 -4.409 544 HG13 ILE 72 1HG1 ILE 72 2.158 2.326 -3.878 545 HG21 ILE 72 1HG2 ILE 72 -1.764 1.685 -3.244 546 HG22 ILE 72 2HG2 ILE 72 -1.179 1.529 -1.588 547 HG23 ILE 72 3HG2 ILE 72 -0.593 0.432 -2.837 548 HD11 ILE 72 1HD1 ILE 72 3.056 0.796 -2.485 549 HD12 ILE 72 2HD1 ILE 72 1.742 -0.341 -2.786 550 HD13 ILE 72 3HD1 ILE 72 1.567 0.900 -1.546 551 H ASP 73 H ASP 73 -0.153 5.390 -2.280 552 HA ASP 73 HA ASP 73 -2.785 5.394 -1.233 553 HB2 ASP 73 2HB ASP 73 -0.788 6.656 -0.317 554 HB3 ASP 73 1HB ASP 73 -1.040 7.844 -1.597 555 H ALA 74 H ALA 74 -1.433 6.986 -4.098 556 HA ALA 74 HA ALA 74 -3.692 8.617 -4.703 557 HB1 ALA 74 1HB ALA 74 -2.010 7.319 -6.839 558 HB2 ALA 74 2HB ALA 74 -1.326 8.566 -5.797 559 HB3 ALA 74 3HB ALA 74 -2.714 8.935 -6.822 560 H PHE 75 H PHE 75 -2.889 5.275 -5.640 561 HA PHE 75 HA PHE 75 -5.226 4.878 -7.263 562 HB2 PHE 75 2HB PHE 75 -3.231 3.380 -7.286 563 HB3 PHE 75 1HB PHE 75 -3.693 2.803 -5.688 564 HD1 PHE 75 1HD PHE 75 -4.697 2.948 -9.249 565 HD2 PHE 75 2HD PHE 75 -5.538 1.285 -5.379 566 HE1 PHE 75 1HE PHE 75 -6.269 1.333 -10.285 567 HE2 PHE 75 2HE PHE 75 -7.110 -0.330 -6.414 568 HZ PHE 75 HZ PHE 75 -7.475 -0.306 -8.867 569 H VAL 76 H VAL 76 -4.547 4.130 -3.844 570 HA VAL 76 HA VAL 76 -7.134 3.060 -3.264 571 HB VAL 76 HB VAL 76 -5.018 4.339 -1.517 572 HG11 VAL 76 1HG1 VAL 76 -7.638 3.010 -0.816 573 HG12 VAL 76 2HG1 VAL 76 -7.076 4.611 -0.338 574 HG13 VAL 76 3HG1 VAL 76 -6.313 3.171 0.337 575 HG21 VAL 76 1HG2 VAL 76 -4.281 2.255 -2.470 576 HG22 VAL 76 2HG2 VAL 76 -5.838 1.491 -2.149 577 HG23 VAL 76 3HG2 VAL 76 -4.768 1.909 -0.810 578 H VAL 77 H VAL 77 -5.790 6.349 -3.036 579 HA VAL 77 HA VAL 77 -7.982 7.585 -1.745 580 HB VAL 77 HB VAL 77 -5.982 8.627 -3.759 581 HG11 VAL 77 1HG1 VAL 77 -7.731 10.162 -3.985 582 HG12 VAL 77 2HG1 VAL 77 -6.771 10.874 -2.689 583 HG13 VAL 77 3HG1 VAL 77 -8.240 9.976 -2.308 584 HG21 VAL 77 1HG2 VAL 77 -5.739 7.902 -1.081 585 HG22 VAL 77 2HG2 VAL 77 -5.963 9.650 -1.017 586 HG23 VAL 77 3HG2 VAL 77 -4.642 8.965 -1.964 587 H GLY 78 H GLY 78 -7.371 6.994 -5.200 588 HA2 GLY 78 2HA GLY 78 -9.669 8.364 -6.189 589 HA3 GLY 78 1HA GLY 78 -8.818 7.079 -7.041 590 H ALA 79 H ALA 79 -9.273 5.055 -4.971 591 HA ALA 79 HA ALA 79 -12.019 4.351 -5.752 592 HB1 ALA 79 1HB ALA 79 -9.668 2.905 -5.136 593 HB2 ALA 79 2HB ALA 79 -11.239 2.247 -5.594 594 HB3 ALA 79 3HB ALA 79 -10.847 2.490 -3.891 595 H THR 80 H THR 80 -10.218 4.796 -2.720 596 HA THR 80 HA THR 80 -12.782 5.558 -1.419 597 HB THR 80 HB THR 80 -12.139 3.119 -0.932 598 HG1 THR 80 1HG THR 80 -12.044 4.250 1.523 599 HG21 THR 80 1HG2 THR 80 -10.190 2.610 0.139 600 HG22 THR 80 2HG2 THR 80 -10.191 4.109 1.067 601 HG23 THR 80 3HG2 THR 80 -9.637 4.109 -0.607 602 H THR 81 H THR 81 -12.455 7.053 0.346 603 HA THR 81 HA THR 81 -9.661 8.051 0.627 604 HB THR 81 HB THR 81 -10.867 9.463 -0.993 605 HG1 THR 81 1HG THR 81 -9.985 11.155 -0.110 606 HG21 THR 81 1HG2 THR 81 -13.051 8.971 0.663 607 HG22 THR 81 2HG2 THR 81 -13.007 10.108 -0.685 608 HG23 THR 81 3HG2 THR 81 -12.677 10.670 0.954 609 HA PRO 82 HA PRO 82 -11.489 7.342 4.815 610 HB2 PRO 82 2HB PRO 82 -8.641 7.143 5.551 611 HB3 PRO 82 1HB PRO 82 -9.952 5.981 5.817 612 HG2 PRO 82 2HG PRO 82 -7.979 5.574 4.034 613 HG3 PRO 82 1HG PRO 82 -9.622 4.949 3.815 614 HD2 PRO 82 2HD PRO 82 -8.303 7.282 2.487 615 HD3 PRO 82 1HD PRO 82 -9.500 6.139 1.839 616 HA PRO 83 HA PRO 83 -10.738 11.193 6.875 617 HB2 PRO 83 2HB PRO 83 -9.088 10.021 9.048 618 HB3 PRO 83 1HB PRO 83 -10.616 10.915 9.150 619 HG2 PRO 83 2HG PRO 83 -10.494 8.277 9.558 620 HG3 PRO 83 1HG PRO 83 -11.891 9.048 8.788 621 HD2 PRO 83 2HD PRO 83 -9.698 7.445 7.538 622 HD3 PRO 83 1HD PRO 83 -11.416 7.546 7.092 623 H VAL 84 H VAL 84 -9.170 12.898 7.019 624 HA VAL 84 HA VAL 84 -6.593 12.223 5.756 625 HB VAL 84 HB VAL 84 -6.333 14.589 5.410 626 HG11 VAL 84 1HG1 VAL 84 -7.979 14.733 3.854 627 HG12 VAL 84 2HG1 VAL 84 -9.254 14.575 5.063 628 HG13 VAL 84 3HG1 VAL 84 -8.459 13.136 4.427 629 HG21 VAL 84 1HG2 VAL 84 -6.907 15.535 7.507 630 HG22 VAL 84 2HG2 VAL 84 -8.500 14.775 7.507 631 HG23 VAL 84 3HG2 VAL 84 -8.162 16.116 6.413 632 H GLU 85 H GLU 85 -4.741 12.014 6.869 633 HA GLU 85 HA GLU 85 -4.471 13.353 9.505 634 HB2 GLU 85 2HB GLU 85 -5.192 10.980 9.868 635 HB3 GLU 85 1HB GLU 85 -3.747 10.451 9.007 636 HG2 GLU 85 2HG GLU 85 -2.350 11.684 10.664 637 HG3 GLU 85 1HG GLU 85 -3.816 12.091 11.556 638 H ALA 86 H ALA 86 -2.342 14.028 9.926 639 HA ALA 86 HA ALA 86 -0.595 14.369 7.688 640 HB1 ALA 86 1HB ALA 86 1.109 14.829 9.660 641 HB2 ALA 86 2HB ALA 86 -0.348 14.767 10.651 642 HB3 ALA 86 3HB ALA 86 -0.216 15.951 9.351 643 H LYS 87 H LYS 87 1.229 13.206 7.041 644 HA LYS 87 HA LYS 87 1.358 10.422 7.948 645 HB2 LYS 87 2HB LYS 87 1.664 11.175 5.537 646 HB3 LYS 87 1HB LYS 87 3.231 11.823 6.024 647 HG2 LYS 87 2HG LYS 87 3.897 9.576 6.834 648 HG3 LYS 87 1HG LYS 87 2.344 8.935 6.295 649 HD2 LYS 87 2HD LYS 87 2.909 9.767 3.974 650 HD3 LYS 87 1HD LYS 87 4.528 10.131 4.571 651 HE2 LYS 87 2HE LYS 87 4.566 7.929 3.543 652 HE3 LYS 87 1HE LYS 87 4.740 7.736 5.288 653 HZ1 LYS 87 1HZ LYS 87 3.023 6.355 5.135 654 HZ2 LYS 87 2HZ LYS 87 2.638 6.853 3.557 655 HZ3 LYS 87 3HZ LYS 87 2.050 7.722 4.893 656 H LEU 88 H LEU 88 2.954 9.541 9.252 657 HA LEU 88 HA LEU 88 4.365 11.186 11.071 658 HB2 LEU 88 2HB LEU 88 5.089 8.372 10.198 659 HB3 LEU 88 1HB LEU 88 5.595 9.159 11.693 660 HG LEU 88 HG LEU 88 2.742 8.510 10.895 661 HD11 LEU 88 1HD1 LEU 88 3.803 7.460 13.413 662 HD12 LEU 88 2HD1 LEU 88 4.690 6.873 12.007 663 HD13 LEU 88 3HD1 LEU 88 2.949 6.619 12.120 664 HD21 LEU 88 1HD2 LEU 88 3.956 10.129 13.112 665 HD22 LEU 88 2HD2 LEU 88 2.487 9.207 13.433 666 HD23 LEU 88 3HD2 LEU 88 2.496 10.443 12.175 667 H GLN 89 H GLN 89 5.369 9.824 7.958 668 HA GLN 89 HA GLN 89 7.650 11.724 7.967 669 HB2 GLN 89 2HB GLN 89 7.899 8.744 7.446 670 HB3 GLN 89 1HB GLN 89 9.167 9.925 7.115 671 HG2 GLN 89 2HG GLN 89 9.215 10.564 9.490 672 HG3 GLN 89 1HG GLN 89 7.924 9.411 9.834 673 HE21 GLN 89 1HE2 GLN 89 10.476 9.175 11.102 674 HE22 GLN 89 2HE2 GLN 89 11.235 7.769 10.527 675 H1 PN7 101 3HO SAT 101 2.007 -8.658 -13.893 676 H2 PN7 101 1H1 SAT 101 3.862 -8.393 -11.425 677 H3 PN7 101 2H1 SAT 101 4.086 -7.349 -10.023 678 H5 PN7 101 1HE1 SAT 101 4.195 -5.478 -11.333 679 H6 PN7 101 2HE1 SAT 101 2.960 -5.009 -10.164 680 H7 PN7 101 3HE1 SAT 101 2.709 -4.702 -11.882 681 H8 PN7 101 2HE2 SAT 101 0.485 -5.976 -11.082 682 H9 PN7 101 3HE2 SAT 101 1.225 -6.522 -9.578 683 H10 PN7 101 1HE2 SAT 101 0.626 -7.702 -10.744 684 H11 PN7 101 3H SAT 101 1.405 -6.579 -13.163 685 H12 PN7 101 5H SAT 101 3.339 -4.631 -13.850 686 H13 PN7 101 1H6 SAT 101 2.543 -6.442 -15.993 687 H14 PN7 101 2H6 SAT 101 2.733 -4.694 -16.133 688 H15 PN7 101 1H7 SAT 101 5.316 -5.857 -15.684 689 H16 PN7 101 2H7 SAT 101 4.745 -4.975 -17.101 690 H17 PN7 101 9H SAT 101 5.945 -7.991 -16.163 691 H18 PN7 101 1H10 SAT 101 5.288 -9.696 -18.205 692 H19 PN7 101 2H10 SAT 101 5.944 -8.307 -19.073 693 H20 PN7 101 1H11 SAT 101 8.003 -8.499 -17.598 694 H21 PN7 101 2H11 SAT 101 7.770 -9.832 -18.727 695 H22 PN7 101 2HS1 SAT 101 6.471 -10.466 -16.066 Start of MODEL 20 1 H1 MET 1 1HT MET 1 0.842 14.600 0.078 2 H2 MET 1 2HT MET 1 -0.605 14.024 -0.601 3 H3 MET 1 3HT MET 1 0.888 13.581 -1.278 4 HA MET 1 HA MET 1 0.438 11.704 -0.096 5 HB2 MET 1 2HB MET 1 1.853 13.643 1.738 6 HB3 MET 1 1HB MET 1 1.643 11.941 2.154 7 HG2 MET 1 2HG MET 1 2.748 11.297 0.037 8 HG3 MET 1 1HG MET 1 2.999 13.002 -0.338 9 HE1 MET 1 1HE MET 1 5.021 10.343 2.742 10 HE2 MET 1 2HE MET 1 3.622 10.026 1.719 11 HE3 MET 1 3HE MET 1 3.429 10.964 3.198 12 H GLN 2 H GLN 2 -1.984 12.080 -0.060 13 HA GLN 2 HA GLN 2 -3.068 12.985 2.531 14 HB2 GLN 2 2HB GLN 2 -4.471 11.784 0.119 15 HB3 GLN 2 1HB GLN 2 -5.263 12.528 1.509 16 HG2 GLN 2 2HG GLN 2 -3.365 13.924 -0.400 17 HG3 GLN 2 1HG GLN 2 -5.117 14.129 -0.354 18 HE21 GLN 2 1HE2 GLN 2 -2.493 15.815 0.486 19 HE22 GLN 2 2HE2 GLN 2 -3.012 16.537 1.931 20 H HIS 3 H HIS 3 -3.310 11.579 4.208 21 HA HIS 3 HA HIS 3 -3.393 9.537 5.377 22 HB2 HIS 3 2HB HIS 3 -4.675 8.349 2.918 23 HB3 HIS 3 1HB HIS 3 -5.013 8.001 4.614 24 HD1 HIS 3 1HD HIS 3 -6.308 9.903 5.972 25 HD2 HIS 3 2HD HIS 3 -6.174 10.455 1.839 26 HE1 HIS 3 1HE HIS 3 -8.051 11.661 5.426 27 HE2 HIS 3 2HE HIS 3 -7.977 12.003 2.914 28 H ALA 4 H ALA 4 -1.301 10.146 3.130 29 HA ALA 4 HA ALA 4 -0.461 7.649 2.026 30 HB1 ALA 4 1HB ALA 4 1.581 9.708 2.708 31 HB2 ALA 4 2HB ALA 4 0.292 10.177 1.600 32 HB3 ALA 4 3HB ALA 4 1.342 8.816 1.205 33 H SER 5 H SER 5 0.398 9.295 5.060 34 HA SER 5 HA SER 5 2.481 7.526 5.843 35 HB2 SER 5 2HB SER 5 0.528 8.962 7.660 36 HB3 SER 5 1HB SER 5 2.126 8.367 8.101 37 HG SER 5 HG SER 5 1.819 10.694 7.440 38 H VAL 6 H VAL 6 -1.028 7.316 6.316 39 HA VAL 6 HA VAL 6 -0.968 5.012 8.021 40 HB VAL 6 HB VAL 6 -3.086 6.013 6.111 41 HG11 VAL 6 1HG1 VAL 6 -2.962 3.646 7.924 42 HG12 VAL 6 2HG1 VAL 6 -3.816 3.843 6.393 43 HG13 VAL 6 3HG1 VAL 6 -4.476 4.551 7.868 44 HG21 VAL 6 1HG2 VAL 6 -2.481 7.502 8.018 45 HG22 VAL 6 2HG2 VAL 6 -2.842 6.182 9.130 46 HG23 VAL 6 3HG2 VAL 6 -4.127 6.884 8.148 47 H ILE 7 H ILE 7 -1.024 5.407 4.518 48 HA ILE 7 HA ILE 7 -1.429 2.660 3.856 49 HB ILE 7 HB ILE 7 0.012 4.840 2.327 50 HG12 ILE 7 2HG1 ILE 7 -2.835 3.806 2.124 51 HG13 ILE 7 1HG1 ILE 7 -2.373 5.287 2.962 52 HG21 ILE 7 1HG2 ILE 7 -1.033 2.115 1.506 53 HG22 ILE 7 2HG2 ILE 7 0.628 2.698 1.400 54 HG23 ILE 7 3HG2 ILE 7 -0.616 3.381 0.351 55 HD11 ILE 7 1HD1 ILE 7 -1.305 5.094 0.229 56 HD12 ILE 7 2HD1 ILE 7 -2.121 6.438 1.027 57 HD13 ILE 7 3HD1 ILE 7 -3.067 5.136 0.306 58 H ALA 8 H ALA 8 1.530 4.497 4.559 59 HA ALA 8 HA ALA 8 3.370 2.472 3.723 60 HB1 ALA 8 1HB ALA 8 4.809 3.647 5.617 61 HB2 ALA 8 2HB ALA 8 3.501 4.828 5.560 62 HB3 ALA 8 3HB ALA 8 4.443 4.487 4.109 63 H GLN 9 H GLN 9 2.076 3.180 6.987 64 HA GLN 9 HA GLN 9 3.315 0.830 8.126 65 HB2 GLN 9 2HB GLN 9 2.298 1.425 10.145 66 HB3 GLN 9 1HB GLN 9 2.458 2.980 9.333 67 HG2 GLN 9 2HG GLN 9 0.235 3.027 10.048 68 HG3 GLN 9 1HG GLN 9 0.085 2.446 8.394 69 HE21 GLN 9 1HE2 GLN 9 -1.755 1.076 8.651 70 HE22 GLN 9 2HE2 GLN 9 -1.771 -0.273 9.681 71 H PHE 10 H PHE 10 0.142 1.536 6.760 72 HA PHE 10 HA PHE 10 -1.116 -0.918 7.535 73 HB2 PHE 10 2HB PHE 10 -2.290 1.139 6.683 74 HB3 PHE 10 1HB PHE 10 -1.694 0.744 5.072 75 HD1 PHE 10 1HD PHE 10 -2.633 -1.069 3.789 76 HD2 PHE 10 2HD PHE 10 -3.887 -0.369 7.838 77 HE1 PHE 10 1HE PHE 10 -4.538 -2.624 3.469 78 HE2 PHE 10 2HE PHE 10 -5.790 -1.926 7.518 79 HZ PHE 10 HZ PHE 10 -6.117 -3.051 5.333 80 H VAL 11 H VAL 11 0.426 0.027 4.450 81 HA VAL 11 HA VAL 11 0.155 -2.597 3.291 82 HB VAL 11 HB VAL 11 0.599 -0.357 2.088 83 HG11 VAL 11 1HG1 VAL 11 2.639 0.099 3.558 84 HG12 VAL 11 2HG1 VAL 11 2.870 0.332 1.825 85 HG13 VAL 11 3HG1 VAL 11 3.475 -1.129 2.607 86 HG21 VAL 11 1HG2 VAL 11 1.807 -3.032 1.522 87 HG22 VAL 11 2HG2 VAL 11 2.274 -1.685 0.483 88 HG23 VAL 11 3HG2 VAL 11 0.576 -2.145 0.622 89 H VAL 12 H VAL 12 2.804 -0.969 5.024 90 HA VAL 12 HA VAL 12 4.708 -3.087 4.721 91 HB VAL 12 HB VAL 12 4.444 -1.016 6.904 92 HG11 VAL 12 1HG1 VAL 12 5.947 -2.468 7.865 93 HG12 VAL 12 2HG1 VAL 12 7.064 -1.582 6.832 94 HG13 VAL 12 3HG1 VAL 12 6.440 -3.150 6.318 95 HG21 VAL 12 1HG2 VAL 12 6.491 -0.915 4.732 96 HG22 VAL 12 2HG2 VAL 12 5.691 0.409 5.576 97 HG23 VAL 12 3HG2 VAL 12 4.836 -0.476 4.315 98 H GLU 13 H GLU 13 2.232 -2.430 7.166 99 HA GLU 13 HA GLU 13 2.926 -4.418 9.045 100 HB2 GLU 13 2HB GLU 13 1.143 -2.711 9.382 101 HB3 GLU 13 1HB GLU 13 0.129 -3.600 8.253 102 HG2 GLU 13 2HG GLU 13 0.317 -5.609 9.710 103 HG3 GLU 13 1HG GLU 13 1.232 -4.642 10.864 104 H GLU 14 H GLU 14 1.399 -4.714 5.910 105 HA GLU 14 HA GLU 14 0.327 -7.354 6.254 106 HB2 GLU 14 2HB GLU 14 1.336 -5.964 3.750 107 HB3 GLU 14 1HB GLU 14 0.369 -7.438 3.768 108 HG2 GLU 14 2HG GLU 14 -1.440 -6.222 4.943 109 HG3 GLU 14 1HG GLU 14 -0.474 -4.748 4.883 110 H PHE 15 H PHE 15 3.535 -6.120 5.572 111 HA PHE 15 HA PHE 15 4.643 -8.822 5.996 112 HB2 PHE 15 2HB PHE 15 5.917 -8.868 3.949 113 HB3 PHE 15 1HB PHE 15 4.240 -8.558 3.503 114 HD1 PHE 15 1HD PHE 15 7.622 -7.353 3.324 115 HD2 PHE 15 2HD PHE 15 3.518 -6.106 3.194 116 HE1 PHE 15 1HE PHE 15 8.300 -5.234 2.230 117 HE2 PHE 15 2HE PHE 15 4.192 -3.987 2.100 118 HZ PHE 15 HZ PHE 15 6.585 -3.552 1.616 119 H LEU 16 H LEU 16 4.811 -6.706 7.753 120 HA LEU 16 HA LEU 16 7.204 -5.153 7.238 121 HB2 LEU 16 2HB LEU 16 6.774 -4.050 9.259 122 HB3 LEU 16 1HB LEU 16 5.177 -4.451 8.663 123 HG LEU 16 HG LEU 16 6.715 -6.067 10.717 124 HD11 LEU 16 1HD1 LEU 16 5.995 -3.887 11.587 125 HD12 LEU 16 2HD1 LEU 16 5.035 -5.185 12.294 126 HD13 LEU 16 3HD1 LEU 16 4.357 -4.188 11.008 127 HD21 LEU 16 1HD2 LEU 16 4.077 -6.375 9.310 128 HD22 LEU 16 2HD2 LEU 16 4.208 -6.907 10.985 129 HD23 LEU 16 3HD2 LEU 16 5.247 -7.617 9.753 130 HA PRO 17 HA PRO 17 10.004 -8.231 8.834 131 HB2 PRO 17 2HB PRO 17 12.227 -6.663 9.114 132 HB3 PRO 17 1HB PRO 17 11.638 -7.215 7.537 133 HG2 PRO 17 2HG PRO 17 11.296 -4.573 8.864 134 HG3 PRO 17 1HG PRO 17 11.622 -4.949 7.165 135 HD2 PRO 17 2HD PRO 17 9.137 -4.294 8.107 136 HD3 PRO 17 1HD PRO 17 9.405 -5.328 6.687 137 H ASP 18 H ASP 18 12.101 -7.411 10.703 138 HA ASP 18 HA ASP 18 10.500 -7.355 13.149 139 HB2 ASP 18 2HB ASP 18 12.651 -7.616 14.284 140 HB3 ASP 18 1HB ASP 18 12.554 -8.753 12.945 141 H VAL 19 H VAL 19 11.000 -5.011 11.106 142 HA VAL 19 HA VAL 19 11.801 -2.968 13.141 143 HB VAL 19 HB VAL 19 11.794 -2.732 10.121 144 HG11 VAL 19 1HG1 VAL 19 13.380 -0.787 10.792 145 HG12 VAL 19 2HG1 VAL 19 12.668 -0.955 12.396 146 HG13 VAL 19 3HG1 VAL 19 11.646 -0.554 11.016 147 HG21 VAL 19 1HG2 VAL 19 13.572 -4.173 10.398 148 HG22 VAL 19 2HG2 VAL 19 13.823 -3.708 12.080 149 HG23 VAL 19 3HG2 VAL 19 14.401 -2.664 10.780 150 H ALA 20 H ALA 20 10.331 -1.361 13.633 151 HA ALA 20 HA ALA 20 7.593 -1.680 12.733 152 HB1 ALA 20 1HB ALA 20 8.833 -0.506 14.925 153 HB2 ALA 20 2HB ALA 20 7.113 -0.416 14.545 154 HB3 ALA 20 3HB ALA 20 8.201 0.870 14.021 155 HA PRO 21 HA PRO 21 7.765 0.783 8.989 156 HB2 PRO 21 2HB PRO 21 5.250 2.034 9.989 157 HB3 PRO 21 1HB PRO 21 5.586 1.276 8.422 158 HG2 PRO 21 2HG PRO 21 4.132 0.071 10.332 159 HG3 PRO 21 1HG PRO 21 5.144 -0.819 9.187 160 HD2 PRO 21 2HD PRO 21 5.563 -0.366 12.080 161 HD3 PRO 21 1HD PRO 21 6.215 -1.634 11.018 162 H ALA 22 H ALA 22 7.042 2.276 12.098 163 HA ALA 22 HA ALA 22 7.552 4.999 11.319 164 HB1 ALA 22 1HB ALA 22 7.916 3.758 14.061 165 HB2 ALA 22 2HB ALA 22 6.354 4.260 13.413 166 HB3 ALA 22 3HB ALA 22 7.618 5.458 13.696 167 H ASP 23 H ASP 23 9.596 2.303 12.024 168 HA ASP 23 HA ASP 23 11.968 4.054 12.378 169 HB2 ASP 23 2HB ASP 23 11.602 1.055 12.641 170 HB3 ASP 23 1HB ASP 23 13.146 1.883 12.849 171 H VAL 24 H VAL 24 10.245 2.844 9.886 172 HA VAL 24 HA VAL 24 12.649 2.261 8.213 173 HB VAL 24 HB VAL 24 9.721 1.737 7.604 174 HG11 VAL 24 1HG1 VAL 24 10.782 0.209 5.871 175 HG12 VAL 24 2HG1 VAL 24 12.319 0.994 6.237 176 HG13 VAL 24 3HG1 VAL 24 10.983 1.934 5.571 177 HG21 VAL 24 1HG2 VAL 24 10.254 0.268 9.383 178 HG22 VAL 24 2HG2 VAL 24 11.903 0.029 8.804 179 HG23 VAL 24 3HG2 VAL 24 10.550 -0.696 7.935 180 H ASP 25 H ASP 25 13.117 3.642 6.509 181 HA ASP 25 HA ASP 25 11.881 6.252 6.527 182 HB2 ASP 25 2HB ASP 25 14.263 5.811 5.866 183 HB3 ASP 25 1HB ASP 25 13.666 5.042 4.395 184 H VAL 26 H VAL 26 9.714 6.193 5.972 185 HA VAL 26 HA VAL 26 8.551 4.542 3.963 186 HB VAL 26 HB VAL 26 6.632 6.020 4.084 187 HG11 VAL 26 1HG1 VAL 26 6.809 4.674 6.041 188 HG12 VAL 26 2HG1 VAL 26 6.494 6.304 6.633 189 HG13 VAL 26 3HG1 VAL 26 8.128 5.649 6.685 190 HG21 VAL 26 1HG2 VAL 26 8.713 7.964 5.026 191 HG22 VAL 26 2HG2 VAL 26 7.057 8.149 5.608 192 HG23 VAL 26 3HG2 VAL 26 7.397 8.207 3.878 193 H ASP 27 H ASP 27 10.940 6.679 3.434 194 HA ASP 27 HA ASP 27 9.833 7.792 0.913 195 HB2 ASP 27 2HB ASP 27 12.466 8.257 2.350 196 HB3 ASP 27 1HB ASP 27 12.019 9.020 0.824 197 H LEU 28 H LEU 28 10.942 4.928 1.768 198 HA LEU 28 HA LEU 28 12.957 4.541 -0.358 199 HB2 LEU 28 2HB LEU 28 13.171 3.434 1.885 200 HB3 LEU 28 1HB LEU 28 11.721 2.505 1.516 201 HG LEU 28 HG LEU 28 13.033 1.874 -0.680 202 HD11 LEU 28 1HD1 LEU 28 15.489 1.710 -0.205 203 HD12 LEU 28 2HD1 LEU 28 15.234 2.696 1.234 204 HD13 LEU 28 3HD1 LEU 28 14.919 3.371 -0.365 205 HD21 LEU 28 1HD2 LEU 28 12.434 0.159 0.845 206 HD22 LEU 28 2HD2 LEU 28 13.494 0.794 2.103 207 HD23 LEU 28 3HD2 LEU 28 14.184 0.011 0.681 208 H ASP 29 H ASP 29 12.530 3.508 -2.285 209 HA ASP 29 HA ASP 29 9.808 3.319 -3.179 210 HB2 ASP 29 2HB ASP 29 12.379 2.163 -4.308 211 HB3 ASP 29 1HB ASP 29 10.828 2.102 -5.144 212 H LEU 30 H LEU 30 8.390 1.724 -2.646 213 HA LEU 30 HA LEU 30 9.255 -0.601 -1.173 214 HB2 LEU 30 2HB LEU 30 6.858 -1.318 -1.422 215 HB3 LEU 30 1HB LEU 30 7.043 0.308 -0.763 216 HG LEU 30 HG LEU 30 6.954 0.256 -3.693 217 HD11 LEU 30 1HD1 LEU 30 4.496 -0.578 -2.122 218 HD12 LEU 30 2HD1 LEU 30 5.415 -1.631 -3.198 219 HD13 LEU 30 3HD1 LEU 30 4.556 -0.237 -3.853 220 HD21 LEU 30 1HD2 LEU 30 5.096 1.661 -1.776 221 HD22 LEU 30 2HD2 LEU 30 5.638 2.194 -3.367 222 HD23 LEU 30 3HD2 LEU 30 6.756 2.210 -2.003 223 H VAL 31 H VAL 31 9.853 0.012 -4.272 224 HA VAL 31 HA VAL 31 8.848 -2.175 -5.764 225 HB VAL 31 HB VAL 31 11.503 -0.724 -5.958 226 HG11 VAL 31 1HG1 VAL 31 11.067 -1.762 -8.434 227 HG12 VAL 31 2HG1 VAL 31 10.411 -3.053 -7.429 228 HG13 VAL 31 3HG1 VAL 31 12.084 -2.537 -7.220 229 HG21 VAL 31 1HG2 VAL 31 10.429 0.753 -7.329 230 HG22 VAL 31 2HG2 VAL 31 8.999 0.212 -6.449 231 HG23 VAL 31 3HG2 VAL 31 9.387 -0.488 -8.022 232 H ASP 32 H ASP 32 11.702 -1.935 -3.671 233 HA ASP 32 HA ASP 32 12.773 -4.520 -4.146 234 HB2 ASP 32 2HB ASP 32 13.806 -2.694 -2.702 235 HB3 ASP 32 1HB ASP 32 12.658 -3.148 -1.441 236 H ASN 33 H ASN 33 10.078 -3.390 -2.219 237 HA ASN 33 HA ASN 33 9.519 -6.038 -1.087 238 HB2 ASN 33 2HB ASN 33 7.807 -3.544 -1.077 239 HB3 ASN 33 1HB ASN 33 7.616 -4.951 -0.037 240 HD21 ASN 33 1HD2 ASN 33 10.925 -4.294 -0.553 241 HD22 ASN 33 2HD2 ASN 33 11.223 -3.435 0.879 242 H GLY 34 H GLY 34 9.449 -5.127 -4.079 243 HA2 GLY 34 2HA GLY 34 6.957 -5.125 -5.233 244 HA3 GLY 34 1HA GLY 34 8.308 -6.005 -5.947 245 H VAL 35 H VAL 35 8.221 -7.641 -3.267 246 HA VAL 35 HA VAL 35 6.939 -9.935 -4.277 247 HB VAL 35 HB VAL 35 7.353 -9.030 -1.412 248 HG11 VAL 35 1HG1 VAL 35 5.880 -11.318 -2.519 249 HG12 VAL 35 2HG1 VAL 35 5.877 -10.666 -0.881 250 HG13 VAL 35 3HG1 VAL 35 7.145 -11.784 -1.382 251 HG21 VAL 35 1HG2 VAL 35 9.433 -9.896 -1.630 252 HG22 VAL 35 2HG2 VAL 35 9.136 -9.909 -3.369 253 HG23 VAL 35 3HG2 VAL 35 8.818 -11.354 -2.409 254 H ILE 36 H ILE 36 5.644 -7.257 -2.361 255 HA ILE 36 HA ILE 36 2.994 -8.367 -2.050 256 HB ILE 36 HB ILE 36 4.175 -6.403 -0.782 257 HG12 ILE 36 2HG1 ILE 36 1.277 -6.297 -1.671 258 HG13 ILE 36 1HG1 ILE 36 1.914 -7.161 -0.273 259 HG21 ILE 36 1HG2 ILE 36 2.708 -4.787 -2.859 260 HG22 ILE 36 2HG2 ILE 36 4.409 -5.199 -3.077 261 HG23 ILE 36 3HG2 ILE 36 3.906 -4.242 -1.684 262 HD11 ILE 36 1HD1 ILE 36 2.721 -4.971 0.645 263 HD12 ILE 36 2HD1 ILE 36 0.966 -5.061 0.496 264 HD13 ILE 36 3HD1 ILE 36 1.908 -4.160 -0.694 265 H ASP 37 H ASP 37 4.607 -6.582 -4.573 266 HA ASP 37 HA ASP 37 2.331 -5.485 -5.875 267 HB2 ASP 37 2HB ASP 37 4.977 -6.391 -7.036 268 HB3 ASP 37 1HB ASP 37 3.775 -5.449 -7.915 269 H SER 38 H SER 38 3.695 -8.746 -6.009 270 HA SER 38 HA SER 38 1.670 -9.432 -8.081 271 HB2 SER 38 2HB SER 38 4.269 -10.666 -7.232 272 HB3 SER 38 1HB SER 38 3.064 -11.641 -8.071 273 H LEU 39 H LEU 39 3.091 -11.158 -5.280 274 HA LEU 39 HA LEU 39 0.758 -12.813 -5.009 275 HB2 LEU 39 2HB LEU 39 3.056 -13.475 -4.287 276 HB3 LEU 39 1HB LEU 39 2.918 -12.320 -2.965 277 HG LEU 39 HG LEU 39 0.644 -14.184 -3.204 278 HD11 LEU 39 1HD1 LEU 39 3.421 -15.138 -2.445 279 HD12 LEU 39 2HD1 LEU 39 2.428 -15.739 -3.774 280 HD13 LEU 39 3HD1 LEU 39 1.937 -16.028 -2.105 281 HD21 LEU 39 1HD2 LEU 39 1.017 -14.273 -0.736 282 HD22 LEU 39 2HD2 LEU 39 0.866 -12.620 -1.332 283 HD23 LEU 39 3HD2 LEU 39 2.456 -13.276 -0.944 284 H GLY 40 H GLY 40 2.003 -10.183 -2.946 285 HA2 GLY 40 2HA GLY 40 -0.276 -10.203 -1.196 286 HA3 GLY 40 1HA GLY 40 0.899 -8.899 -1.325 287 H LEU 41 H LEU 41 0.494 -8.395 -4.129 288 HA LEU 41 HA LEU 41 -1.581 -6.475 -4.014 289 HB2 LEU 41 2HB LEU 41 0.297 -6.522 -5.675 290 HB3 LEU 41 1HB LEU 41 -0.522 -7.846 -6.500 291 HG LEU 41 HG LEU 41 -2.569 -6.116 -6.395 292 HD11 LEU 41 1HD1 LEU 41 -1.706 -3.827 -6.806 293 HD12 LEU 41 2HD1 LEU 41 -0.073 -4.398 -6.459 294 HD13 LEU 41 3HD1 LEU 41 -1.297 -4.402 -5.189 295 HD21 LEU 41 1HD2 LEU 41 -1.977 -5.464 -8.685 296 HD22 LEU 41 2HD2 LEU 41 -1.569 -7.159 -8.424 297 HD23 LEU 41 3HD2 LEU 41 -0.300 -5.934 -8.404 298 H LEU 42 H LEU 42 -1.603 -9.777 -5.341 299 HA LEU 42 HA LEU 42 -4.315 -9.636 -6.291 300 HB2 LEU 42 2HB LEU 42 -2.596 -12.003 -5.521 301 HB3 LEU 42 1HB LEU 42 -4.156 -12.138 -6.313 302 HG LEU 42 HG LEU 42 -1.779 -10.618 -7.415 303 HD11 LEU 42 1HD1 LEU 42 -2.689 -12.864 -8.989 304 HD12 LEU 42 2HD1 LEU 42 -2.284 -13.400 -7.358 305 HD13 LEU 42 3HD1 LEU 42 -1.082 -12.555 -8.333 306 HD21 LEU 42 1HD2 LEU 42 -3.502 -9.602 -8.514 307 HD22 LEU 42 2HD2 LEU 42 -4.627 -10.912 -8.164 308 HD23 LEU 42 3HD2 LEU 42 -3.473 -11.072 -9.487 309 H LYS 43 H LYS 43 -2.901 -10.866 -3.256 310 HA LYS 43 HA LYS 43 -5.376 -11.767 -2.147 311 HB2 LYS 43 2HB LYS 43 -2.825 -10.850 -0.815 312 HB3 LYS 43 1HB LYS 43 -4.154 -11.637 0.028 313 HG2 LYS 43 2HG LYS 43 -3.935 -13.579 -1.532 314 HG3 LYS 43 1HG LYS 43 -2.520 -12.803 -2.241 315 HD2 LYS 43 2HD LYS 43 -1.447 -12.783 0.012 316 HD3 LYS 43 1HD LYS 43 -2.834 -13.669 0.647 317 HE2 LYS 43 2HE LYS 43 -1.064 -14.636 -1.617 318 HE3 LYS 43 1HE LYS 43 -0.933 -15.172 0.058 319 HZ1 LYS 43 1HZ LYS 43 -3.500 -15.591 -0.327 320 HZ2 LYS 43 2HZ LYS 43 -2.327 -16.758 -0.714 321 HZ3 LYS 43 3HZ LYS 43 -2.981 -15.768 -1.931 322 H VAL 44 H VAL 44 -3.760 -8.625 -2.124 323 HA VAL 44 HA VAL 44 -5.376 -7.389 -0.126 324 HB VAL 44 HB VAL 44 -3.916 -6.225 -2.505 325 HG11 VAL 44 1HG1 VAL 44 -5.416 -4.926 -0.228 326 HG12 VAL 44 2HG1 VAL 44 -5.557 -4.599 -1.955 327 HG13 VAL 44 3HG1 VAL 44 -4.115 -4.090 -1.077 328 HG21 VAL 44 1HG2 VAL 44 -3.020 -5.671 0.239 329 HG22 VAL 44 2HG2 VAL 44 -2.088 -6.209 -1.159 330 HG23 VAL 44 3HG2 VAL 44 -2.968 -7.383 -0.181 331 H ILE 45 H ILE 45 -5.820 -7.499 -3.681 332 HA ILE 45 HA ILE 45 -8.120 -5.841 -3.744 333 HB ILE 45 HB ILE 45 -7.470 -8.199 -5.536 334 HG12 ILE 45 2HG1 ILE 45 -5.604 -6.645 -5.519 335 HG13 ILE 45 1HG1 ILE 45 -6.496 -6.411 -7.017 336 HG21 ILE 45 1HG2 ILE 45 -8.811 -6.865 -7.184 337 HG22 ILE 45 2HG2 ILE 45 -9.257 -5.784 -5.866 338 HG23 ILE 45 3HG2 ILE 45 -9.754 -7.475 -5.824 339 HD11 ILE 45 1HD1 ILE 45 -7.795 -4.593 -5.631 340 HD12 ILE 45 2HD1 ILE 45 -6.206 -4.212 -6.295 341 HD13 ILE 45 3HD1 ILE 45 -6.370 -4.643 -4.593 342 H ALA 46 H ALA 46 -7.856 -9.376 -3.338 343 HA ALA 46 HA ALA 46 -10.693 -9.829 -3.257 344 HB1 ALA 46 1HB ALA 46 -9.443 -11.765 -3.642 345 HB2 ALA 46 2HB ALA 46 -9.873 -11.944 -1.940 346 HB3 ALA 46 3HB ALA 46 -8.266 -11.370 -2.388 347 H TRP 47 H TRP 47 -8.280 -9.376 -0.664 348 HA TRP 47 HA TRP 47 -10.286 -9.564 1.432 349 HB2 TRP 47 2HB TRP 47 -8.226 -10.164 2.260 350 HB3 TRP 47 1HB TRP 47 -7.372 -8.969 1.285 351 HD1 TRP 47 HD TRP 47 -10.263 -8.434 3.812 352 HE1 TRP 47 1HE TRP 47 -9.468 -6.691 5.544 353 HE3 TRP 47 3HE TRP 47 -5.502 -7.735 2.197 354 HZ2 TRP 47 2HZ TRP 47 -7.095 -5.196 6.159 355 HZ3 TRP 47 3HZ TRP 47 -3.979 -6.158 3.360 356 HH2 TRP 47 HH TRP 47 -4.770 -4.887 5.335 357 H LEU 48 H LEU 48 -8.490 -6.899 -0.086 358 HA LEU 48 HA LEU 48 -9.518 -4.790 1.484 359 HB2 LEU 48 2HB LEU 48 -7.683 -4.599 -0.222 360 HB3 LEU 48 1HB LEU 48 -8.902 -4.693 -1.482 361 HG LEU 48 HG LEU 48 -10.016 -2.724 -0.158 362 HD11 LEU 48 1HD1 LEU 48 -7.240 -1.925 0.477 363 HD12 LEU 48 2HD1 LEU 48 -7.930 -3.167 1.519 364 HD13 LEU 48 3HD1 LEU 48 -8.732 -1.605 1.361 365 HD21 LEU 48 1HD2 LEU 48 -8.098 -1.233 -1.374 366 HD22 LEU 48 2HD2 LEU 48 -9.395 -2.043 -2.255 367 HD23 LEU 48 3HD2 LEU 48 -7.805 -2.798 -2.134 368 H GLU 49 H GLU 49 -10.876 -6.410 -1.374 369 HA GLU 49 HA GLU 49 -13.096 -4.660 -1.748 370 HB2 GLU 49 2HB GLU 49 -12.866 -6.128 -3.524 371 HB3 GLU 49 1HB GLU 49 -12.472 -7.490 -2.487 372 HG2 GLU 49 2HG GLU 49 -14.764 -7.755 -1.831 373 HG3 GLU 49 1HG GLU 49 -15.222 -6.245 -2.608 374 H ASP 50 H ASP 50 -12.721 -7.575 0.266 375 HA ASP 50 HA ASP 50 -15.422 -7.578 1.236 376 HB2 ASP 50 2HB ASP 50 -13.785 -9.488 1.403 377 HB3 ASP 50 1HB ASP 50 -12.979 -8.591 2.687 378 H ARG 51 H ARG 51 -12.446 -6.078 2.442 379 HA ARG 51 HA ARG 51 -13.504 -5.150 4.921 380 HB2 ARG 51 2HB ARG 51 -11.082 -5.217 4.342 381 HB3 ARG 51 1HB ARG 51 -11.337 -3.860 3.245 382 HG2 ARG 51 2HG ARG 51 -12.167 -2.495 5.137 383 HG3 ARG 51 1HG ARG 51 -11.870 -3.848 6.231 384 HD2 ARG 51 2HD ARG 51 -9.464 -3.804 5.575 385 HD3 ARG 51 1HD ARG 51 -9.788 -2.381 4.585 386 HE ARG 51 HE ARG 51 -10.653 -2.041 7.344 387 HH11 ARG 51 1HH1 ARG 51 -9.471 -0.546 8.560 388 HH12 ARG 51 2HH1 ARG 51 -7.929 -0.007 7.984 389 HH21 ARG 51 1HH2 ARG 51 -8.030 -1.940 5.108 390 HH22 ARG 51 2HH2 ARG 51 -7.114 -0.795 6.030 391 H PHE 52 H PHE 52 -13.298 -3.469 1.750 392 HA PHE 52 HA PHE 52 -15.043 -1.343 2.900 393 HB2 PHE 52 2HB PHE 52 -13.206 -1.395 0.500 394 HB3 PHE 52 1HB PHE 52 -14.327 -0.079 0.826 395 HD1 PHE 52 1HD PHE 52 -14.152 1.172 3.030 396 HD2 PHE 52 2HD PHE 52 -11.135 -1.559 1.654 397 HE1 PHE 52 1HE PHE 52 -12.526 2.172 4.612 398 HE2 PHE 52 2HE PHE 52 -9.509 -0.558 3.238 399 HZ PHE 52 HZ PHE 52 -10.204 1.306 4.717 400 H GLY 53 H GLY 53 -15.267 -4.108 1.005 401 HA2 GLY 53 2HA GLY 53 -17.080 -4.927 -0.260 402 HA3 GLY 53 1HA GLY 53 -17.985 -3.493 0.231 403 H ILE 54 H ILE 54 -14.864 -3.401 -1.411 404 HA ILE 54 HA ILE 54 -16.171 -1.901 -3.622 405 HB ILE 54 HB ILE 54 -13.230 -2.230 -2.952 406 HG12 ILE 54 2HG1 ILE 54 -15.032 0.161 -2.481 407 HG13 ILE 54 1HG1 ILE 54 -14.661 -1.028 -1.231 408 HG21 ILE 54 1HG2 ILE 54 -14.582 -1.248 -5.267 409 HG22 ILE 54 2HG2 ILE 54 -12.852 -1.214 -4.924 410 HG23 ILE 54 3HG2 ILE 54 -13.875 0.135 -4.431 411 HD11 ILE 54 1HD1 ILE 54 -12.282 -0.549 -1.421 412 HD12 ILE 54 2HD1 ILE 54 -13.152 0.960 -1.145 413 HD13 ILE 54 3HD1 ILE 54 -12.579 0.554 -2.764 414 H ALA 55 H ALA 55 -15.969 -2.575 -5.781 415 HA ALA 55 HA ALA 55 -15.783 -5.374 -6.280 416 HB1 ALA 55 1HB ALA 55 -15.703 -2.948 -8.073 417 HB2 ALA 55 2HB ALA 55 -17.007 -4.116 -7.868 418 HB3 ALA 55 3HB ALA 55 -15.538 -4.577 -8.727 419 H ALA 56 H ALA 56 -14.112 -6.603 -7.253 420 HA ALA 56 HA ALA 56 -11.461 -6.023 -6.425 421 HB1 ALA 56 1HB ALA 56 -11.862 -8.290 -6.860 422 HB2 ALA 56 2HB ALA 56 -10.902 -7.806 -8.258 423 HB3 ALA 56 3HB ALA 56 -12.653 -7.955 -8.400 424 H ASP 57 H ASP 57 -13.188 -5.208 -9.376 425 HA ASP 57 HA ASP 57 -12.534 -3.923 -11.227 426 HB2 ASP 57 2HB ASP 57 -10.626 -2.833 -9.150 427 HB3 ASP 57 1HB ASP 57 -10.906 -2.098 -10.726 428 H ASP 58 H ASP 58 -11.509 -6.452 -11.325 429 HA ASP 58 HA ASP 58 -8.834 -7.015 -11.385 430 HB2 ASP 58 2HB ASP 58 -9.259 -8.419 -13.402 431 HB3 ASP 58 1HB ASP 58 -10.494 -8.622 -12.160 432 H VAL 59 H VAL 59 -7.537 -5.173 -11.753 433 HA VAL 59 HA VAL 59 -7.378 -4.330 -14.618 434 HB VAL 59 HB VAL 59 -6.764 -2.068 -13.866 435 HG11 VAL 59 1HG1 VAL 59 -8.973 -1.667 -14.014 436 HG12 VAL 59 2HG1 VAL 59 -9.128 -2.052 -12.300 437 HG13 VAL 59 3HG1 VAL 59 -9.335 -3.317 -13.509 438 HG21 VAL 59 1HG2 VAL 59 -6.674 -3.463 -11.274 439 HG22 VAL 59 2HG2 VAL 59 -7.512 -1.912 -11.217 440 HG23 VAL 59 3HG2 VAL 59 -5.846 -1.994 -11.788 441 H GLU 60 H GLU 60 -5.170 -3.690 -15.268 442 HA GLU 60 HA GLU 60 -3.142 -5.210 -13.707 443 HB2 GLU 60 2HB GLU 60 -3.442 -5.727 -16.135 444 HB3 GLU 60 1HB GLU 60 -2.947 -4.082 -16.513 445 HG2 GLU 60 2HG GLU 60 -0.803 -4.497 -15.327 446 HG3 GLU 60 1HG GLU 60 -1.295 -6.170 -15.086 447 H LEU 61 H LEU 61 -1.566 -4.141 -12.613 448 HA LEU 61 HA LEU 61 -1.320 -1.202 -13.060 449 HB2 LEU 61 2HB LEU 61 -0.628 -2.866 -10.622 450 HB3 LEU 61 1HB LEU 61 -0.413 -1.120 -10.754 451 HG LEU 61 HG LEU 61 -3.001 -1.305 -11.484 452 HD11 LEU 61 1HD1 LEU 61 -4.168 -3.001 -10.305 453 HD12 LEU 61 2HD1 LEU 61 -2.752 -3.412 -9.337 454 HD13 LEU 61 3HD1 LEU 61 -2.804 -3.836 -11.048 455 HD21 LEU 61 1HD2 LEU 61 -1.830 -1.186 -8.692 456 HD22 LEU 61 2HD2 LEU 61 -3.517 -0.817 -9.048 457 HD23 LEU 61 3HD2 LEU 61 -2.233 0.173 -9.741 458 H SER 62 H SER 62 0.719 -0.344 -13.488 459 HA SER 62 HA SER 62 2.771 -2.285 -14.308 460 HB2 SER 62 2HB SER 62 2.026 0.348 -15.094 461 HB3 SER 62 1HB SER 62 3.684 0.426 -14.504 462 HG SER 62 HG SER 62 3.463 -1.775 -15.939 463 HA PRO 63 HA PRO 63 5.312 -2.052 -10.718 464 HB2 PRO 63 2HB PRO 63 7.824 -1.752 -11.877 465 HB3 PRO 63 1HB PRO 63 6.974 -3.294 -11.671 466 HG2 PRO 63 2HG PRO 63 7.238 -1.581 -14.078 467 HG3 PRO 63 1HG PRO 63 7.175 -3.347 -13.944 468 HD2 PRO 63 2HD PRO 63 5.047 -1.875 -14.784 469 HD3 PRO 63 1HD PRO 63 4.858 -3.396 -13.884 470 H GLU 64 H GLU 64 5.634 0.480 -13.124 471 HA GLU 64 HA GLU 64 7.275 2.280 -11.630 472 HB2 GLU 64 2HB GLU 64 5.149 2.836 -13.703 473 HB3 GLU 64 1HB GLU 64 6.292 4.030 -13.109 474 HG2 GLU 64 2HG GLU 64 8.154 2.585 -13.867 475 HG3 GLU 64 1HG GLU 64 6.979 1.454 -14.528 476 H HIS 65 H HIS 65 3.835 1.572 -11.526 477 HA HIS 65 HA HIS 65 3.060 3.888 -10.002 478 HB2 HIS 65 2HB HIS 65 1.442 2.443 -11.213 479 HB3 HIS 65 1HB HIS 65 1.772 1.143 -10.068 480 HD1 HIS 65 1HD HIS 65 0.762 4.828 -9.859 481 HD2 HIS 65 2HD HIS 65 0.004 1.195 -7.955 482 HE1 HIS 65 1HE HIS 65 -0.954 5.306 -8.056 483 HE2 HIS 65 2HE HIS 65 -1.420 3.103 -6.891 484 H PHE 66 H PHE 66 4.531 0.835 -9.153 485 HA PHE 66 HA PHE 66 4.048 1.305 -6.267 486 HB2 PHE 66 2HB PHE 66 5.497 -0.951 -7.694 487 HB3 PHE 66 1HB PHE 66 5.125 -0.898 -5.971 488 HD1 PHE 66 1HD PHE 66 3.695 -1.165 -9.366 489 HD2 PHE 66 2HD PHE 66 2.868 -1.265 -5.151 490 HE1 PHE 66 1HE PHE 66 1.445 -2.094 -9.831 491 HE2 PHE 66 2HE PHE 66 0.616 -2.192 -5.618 492 HZ PHE 66 HZ PHE 66 -0.095 -2.606 -7.959 493 H ARG 67 H ARG 67 6.053 2.653 -8.372 494 HA ARG 67 HA ARG 67 8.688 2.213 -7.491 495 HB2 ARG 67 2HB ARG 67 8.108 3.610 -9.446 496 HB3 ARG 67 1HB ARG 67 7.440 4.833 -8.375 497 HG2 ARG 67 2HG ARG 67 9.632 5.589 -8.907 498 HG3 ARG 67 1HG ARG 67 9.757 4.924 -7.284 499 HD2 ARG 67 2HD ARG 67 10.716 2.866 -8.129 500 HD3 ARG 67 1HD ARG 67 10.415 3.360 -9.795 501 HE ARG 67 HE ARG 67 12.125 5.195 -8.272 502 HH11 ARG 67 1HH1 ARG 67 14.243 5.366 -9.043 503 HH12 ARG 67 2HH1 ARG 67 14.828 4.210 -10.191 504 HH21 ARG 67 1HH2 ARG 67 11.857 2.426 -10.310 505 HH22 ARG 67 2HH2 ARG 67 13.478 2.545 -10.909 506 H SER 68 H SER 68 6.186 4.331 -6.104 507 HA SER 68 HA SER 68 7.810 4.410 -3.615 508 HB2 SER 68 2HB SER 68 6.646 6.850 -4.978 509 HB3 SER 68 1HB SER 68 7.369 6.842 -3.373 510 HG SER 68 HG SER 68 8.611 6.180 -5.843 511 H ILE 69 H ILE 69 6.536 4.842 -1.709 512 HA ILE 69 HA ILE 69 3.969 3.648 -1.669 513 HB ILE 69 HB ILE 69 5.184 5.624 0.284 514 HG12 ILE 69 2HG1 ILE 69 5.204 2.601 0.303 515 HG13 ILE 69 1HG1 ILE 69 6.563 3.597 -0.197 516 HG21 ILE 69 1HG2 ILE 69 2.622 4.399 0.175 517 HG22 ILE 69 2HG2 ILE 69 3.305 5.374 1.475 518 HG23 ILE 69 3HG2 ILE 69 3.534 3.626 1.468 519 HD11 ILE 69 1HD1 ILE 69 5.675 2.922 2.487 520 HD12 ILE 69 2HD1 ILE 69 5.788 4.668 2.266 521 HD13 ILE 69 3HD1 ILE 69 7.196 3.649 1.967 522 H ARG 70 H ARG 70 4.947 7.044 -1.971 523 HA ARG 70 HA ARG 70 2.391 8.228 -1.596 524 HB2 ARG 70 2HB ARG 70 4.511 9.511 -1.697 525 HB3 ARG 70 1HB ARG 70 4.625 9.160 -3.422 526 HG2 ARG 70 2HG ARG 70 2.512 10.328 -3.831 527 HG3 ARG 70 1HG ARG 70 2.320 10.625 -2.102 528 HD2 ARG 70 2HD ARG 70 3.230 12.634 -3.078 529 HD3 ARG 70 1HD ARG 70 4.525 11.862 -2.164 530 HE ARG 70 HE ARG 70 4.738 10.871 -4.782 531 HH11 ARG 70 1HH1 ARG 70 6.151 11.829 -6.264 532 HH12 ARG 70 2HH1 ARG 70 6.648 13.471 -6.028 533 HH21 ARG 70 1HH2 ARG 70 4.802 13.893 -3.124 534 HH22 ARG 70 2HH2 ARG 70 5.884 14.640 -4.251 535 H SER 71 H SER 71 3.896 6.873 -4.526 536 HA SER 71 HA SER 71 1.947 7.751 -6.391 537 HB2 SER 71 2HB SER 71 4.106 6.618 -6.976 538 HB3 SER 71 1HB SER 71 3.413 5.098 -6.421 539 HG SER 71 HG SER 71 3.232 6.034 -8.796 540 H ILE 72 H ILE 72 2.012 4.813 -4.369 541 HA ILE 72 HA ILE 72 -0.409 3.687 -5.360 542 HB ILE 72 HB ILE 72 0.836 3.457 -2.604 543 HG12 ILE 72 2HG1 ILE 72 1.120 1.674 -5.044 544 HG13 ILE 72 1HG1 ILE 72 2.337 2.836 -4.512 545 HG21 ILE 72 1HG2 ILE 72 -0.934 2.171 -2.111 546 HG22 ILE 72 2HG2 ILE 72 -0.507 1.103 -3.448 547 HG23 ILE 72 3HG2 ILE 72 -1.606 2.456 -3.715 548 HD11 ILE 72 1HD1 ILE 72 1.548 1.233 -2.265 549 HD12 ILE 72 2HD1 ILE 72 3.136 1.356 -3.022 550 HD13 ILE 72 3HD1 ILE 72 1.971 0.167 -3.604 551 H ASP 73 H ASP 73 0.260 6.002 -2.762 552 HA ASP 73 HA ASP 73 -2.314 6.114 -1.603 553 HB2 ASP 73 2HB ASP 73 -0.230 7.265 -0.755 554 HB3 ASP 73 1HB ASP 73 -0.470 8.481 -2.009 555 H ALA 74 H ALA 74 -1.039 7.735 -4.490 556 HA ALA 74 HA ALA 74 -3.296 9.437 -4.921 557 HB1 ALA 74 1HB ALA 74 -0.864 8.870 -6.243 558 HB2 ALA 74 2HB ALA 74 -2.024 10.136 -6.644 559 HB3 ALA 74 3HB ALA 74 -2.142 8.554 -7.416 560 H PHE 75 H PHE 75 -2.576 6.136 -6.049 561 HA PHE 75 HA PHE 75 -4.929 5.870 -7.665 562 HB2 PHE 75 2HB PHE 75 -2.988 4.313 -7.762 563 HB3 PHE 75 1HB PHE 75 -3.448 3.692 -6.180 564 HD1 PHE 75 1HD PHE 75 -5.331 2.217 -5.904 565 HD2 PHE 75 2HD PHE 75 -4.482 3.991 -9.723 566 HE1 PHE 75 1HE PHE 75 -6.957 0.682 -6.979 567 HE2 PHE 75 2HE PHE 75 -6.109 2.457 -10.798 568 HZ PHE 75 HZ PHE 75 -7.345 0.802 -9.426 569 H VAL 76 H VAL 76 -4.280 4.910 -4.287 570 HA VAL 76 HA VAL 76 -6.918 3.924 -3.785 571 HB VAL 76 HB VAL 76 -4.754 4.975 -1.950 572 HG11 VAL 76 1HG1 VAL 76 -7.525 3.998 -1.423 573 HG12 VAL 76 2HG1 VAL 76 -6.587 5.223 -0.570 574 HG13 VAL 76 3HG1 VAL 76 -6.250 3.512 -0.307 575 HG21 VAL 76 1HG2 VAL 76 -5.578 2.151 -1.871 576 HG22 VAL 76 2HG2 VAL 76 -3.959 2.846 -1.950 577 HG23 VAL 76 3HG2 VAL 76 -4.906 2.646 -3.424 578 H VAL 77 H VAL 77 -5.422 7.125 -3.264 579 HA VAL 77 HA VAL 77 -7.660 8.310 -1.956 580 HB VAL 77 HB VAL 77 -5.454 9.495 -3.657 581 HG11 VAL 77 1HG1 VAL 77 -6.152 11.632 -2.454 582 HG12 VAL 77 2HG1 VAL 77 -7.645 10.793 -2.036 583 HG13 VAL 77 3HG1 VAL 77 -7.236 11.074 -3.728 584 HG21 VAL 77 1HG2 VAL 77 -4.239 9.610 -1.730 585 HG22 VAL 77 2HG2 VAL 77 -5.324 8.332 -1.182 586 HG23 VAL 77 3HG2 VAL 77 -5.651 10.012 -0.752 587 H GLY 78 H GLY 78 -6.784 8.068 -5.392 588 HA2 GLY 78 2HA GLY 78 -8.821 9.736 -6.438 589 HA3 GLY 78 1HA GLY 78 -8.080 8.399 -7.315 590 H ALA 79 H ALA 79 -8.954 6.353 -5.387 591 HA ALA 79 HA ALA 79 -11.794 6.237 -6.258 592 HB1 ALA 79 1HB ALA 79 -10.598 4.322 -7.000 593 HB2 ALA 79 2HB ALA 79 -11.525 3.776 -5.604 594 HB3 ALA 79 3HB ALA 79 -9.804 4.122 -5.438 595 H THR 80 H THR 80 -9.794 5.576 -3.377 596 HA THR 80 HA THR 80 -12.223 6.129 -1.722 597 HB THR 80 HB THR 80 -10.084 4.085 -1.109 598 HG1 THR 80 1HG THR 80 -11.519 3.556 -2.863 599 HG21 THR 80 1HG2 THR 80 -12.187 5.350 0.439 600 HG22 THR 80 2HG2 THR 80 -10.906 4.264 0.979 601 HG23 THR 80 3HG2 THR 80 -12.418 3.604 0.359 602 H THR 81 H THR 81 -11.894 7.499 0.000 603 HA THR 81 HA THR 81 -9.079 8.298 0.593 604 HB THR 81 HB THR 81 -10.238 10.029 -0.759 605 HG1 THR 81 1HG THR 81 -8.882 10.348 1.363 606 HG21 THR 81 1HG2 THR 81 -12.331 10.769 -0.288 607 HG22 THR 81 2HG2 THR 81 -12.029 10.798 1.449 608 HG23 THR 81 3HG2 THR 81 -12.467 9.286 0.656 609 HA PRO 82 HA PRO 82 -11.151 7.122 4.521 610 HB2 PRO 82 2HB PRO 82 -9.101 5.667 5.548 611 HB3 PRO 82 1HB PRO 82 -10.249 5.002 4.372 612 HG2 PRO 82 2HG PRO 82 -7.456 5.888 3.992 613 HG3 PRO 82 1HG PRO 82 -8.366 4.619 3.160 614 HD2 PRO 82 2HD PRO 82 -7.854 7.206 2.168 615 HD3 PRO 82 1HD PRO 82 -9.035 6.052 1.513 616 HA PRO 83 HA PRO 83 -9.460 10.205 7.192 617 HB2 PRO 83 2HB PRO 83 -9.468 8.840 9.628 618 HB3 PRO 83 1HB PRO 83 -10.855 9.688 8.922 619 HG2 PRO 83 2HG PRO 83 -10.212 6.794 8.936 620 HG3 PRO 83 1HG PRO 83 -11.785 7.607 9.015 621 HD2 PRO 83 2HD PRO 83 -10.888 6.416 6.744 622 HD3 PRO 83 1HD PRO 83 -11.924 7.859 6.711 623 H VAL 84 H VAL 84 -7.483 10.826 8.225 624 HA VAL 84 HA VAL 84 -5.299 8.829 7.898 625 HB VAL 84 HB VAL 84 -5.051 11.008 6.736 626 HG11 VAL 84 1HG1 VAL 84 -6.250 12.075 8.938 627 HG12 VAL 84 2HG1 VAL 84 -5.308 13.019 7.783 628 HG13 VAL 84 3HG1 VAL 84 -4.560 12.450 9.275 629 HG21 VAL 84 1HG2 VAL 84 -3.173 9.668 8.277 630 HG22 VAL 84 2HG2 VAL 84 -2.999 11.341 8.805 631 HG23 VAL 84 3HG2 VAL 84 -2.814 10.931 7.100 632 H GLU 85 H GLU 85 -4.191 8.078 9.643 633 HA GLU 85 HA GLU 85 -4.708 9.356 12.289 634 HB2 GLU 85 2HB GLU 85 -4.374 6.400 11.690 635 HB3 GLU 85 1HB GLU 85 -4.599 7.102 13.292 636 HG2 GLU 85 2HG GLU 85 -6.572 7.338 11.000 637 HG3 GLU 85 1HG GLU 85 -6.729 6.226 12.361 638 H ALA 86 H ALA 86 -2.895 8.915 13.870 639 HA ALA 86 HA ALA 86 -0.383 9.652 12.822 640 HB1 ALA 86 1HB ALA 86 -1.370 9.355 15.337 641 HB2 ALA 86 2HB ALA 86 0.349 9.546 14.989 642 HB3 ALA 86 3HB ALA 86 -0.325 7.936 15.242 643 H LYS 87 H LYS 87 1.348 8.482 12.011 644 HA LYS 87 HA LYS 87 0.895 5.912 10.883 645 HB2 LYS 87 2HB LYS 87 2.672 7.572 10.177 646 HB3 LYS 87 1HB LYS 87 3.603 7.070 11.589 647 HG2 LYS 87 2HG LYS 87 3.560 4.731 10.777 648 HG3 LYS 87 1HG LYS 87 2.663 5.254 9.351 649 HD2 LYS 87 2HD LYS 87 4.571 6.828 8.835 650 HD3 LYS 87 1HD LYS 87 5.477 6.052 10.134 651 HE2 LYS 87 2HE LYS 87 4.642 3.862 8.758 652 HE3 LYS 87 1HE LYS 87 4.785 5.025 7.441 653 HZ1 LYS 87 1HZ LYS 87 7.038 5.513 8.165 654 HZ2 LYS 87 2HZ LYS 87 6.863 3.860 7.811 655 HZ3 LYS 87 3HZ LYS 87 6.900 4.388 9.426 656 H LEU 88 H LEU 88 2.274 6.888 13.984 657 HA LEU 88 HA LEU 88 3.393 4.408 14.778 658 HB2 LEU 88 2HB LEU 88 1.962 6.418 16.546 659 HB3 LEU 88 1HB LEU 88 3.141 5.217 17.071 660 HG LEU 88 HG LEU 88 3.657 7.539 15.189 661 HD11 LEU 88 1HD1 LEU 88 4.671 8.608 16.953 662 HD12 LEU 88 2HD1 LEU 88 5.164 7.098 17.721 663 HD13 LEU 88 3HD1 LEU 88 3.500 7.662 17.873 664 HD21 LEU 88 1HD2 LEU 88 5.242 5.103 15.936 665 HD22 LEU 88 2HD2 LEU 88 6.097 6.622 15.667 666 HD23 LEU 88 3HD2 LEU 88 5.118 5.921 14.379 667 H GLN 89 H GLN 89 0.047 5.557 14.846 668 HA GLN 89 HA GLN 89 -0.924 3.236 16.318 669 HB2 GLN 89 2HB GLN 89 -2.382 5.331 14.678 670 HB3 GLN 89 1HB GLN 89 -3.174 4.108 15.672 671 HG2 GLN 89 2HG GLN 89 -2.051 4.979 17.675 672 HG3 GLN 89 1HG GLN 89 -1.208 6.179 16.694 673 HE21 GLN 89 1HE2 GLN 89 -2.955 6.976 18.818 674 HE22 GLN 89 2HE2 GLN 89 -4.309 7.745 18.139 675 H1 PN7 101 3HO SAT 101 5.327 -8.304 -12.013 676 H2 PN7 101 1H1 SAT 101 5.816 -6.748 -9.134 677 H3 PN7 101 2H1 SAT 101 4.131 -7.250 -9.272 678 H5 PN7 101 1HE1 SAT 101 6.995 -5.786 -10.971 679 H6 PN7 101 2HE1 SAT 101 6.183 -5.341 -12.471 680 H7 PN7 101 3HE1 SAT 101 6.577 -7.029 -12.149 681 H8 PN7 101 2HE2 SAT 101 4.495 -4.211 -11.402 682 H9 PN7 101 3HE2 SAT 101 4.883 -4.577 -9.722 683 H10 PN7 101 1HE2 SAT 101 3.304 -5.012 -10.376 684 H11 PN7 101 3H SAT 101 2.974 -7.067 -11.519 685 H12 PN7 101 5H SAT 101 2.655 -4.432 -13.061 686 H13 PN7 101 1H6 SAT 101 0.631 -5.913 -13.303 687 H14 PN7 101 2H6 SAT 101 1.235 -5.441 -14.891 688 H15 PN7 101 1H7 SAT 101 2.087 -7.957 -13.429 689 H16 PN7 101 2H7 SAT 101 2.507 -7.502 -15.080 690 H17 PN7 101 9H SAT 101 -0.398 -8.453 -13.067 691 H18 PN7 101 1H10 SAT 101 -0.478 -10.373 -15.360 692 H19 PN7 101 2H10 SAT 101 -0.046 -10.897 -13.732 693 H20 PN7 101 1H11 SAT 101 -2.514 -9.480 -13.551 694 H21 PN7 101 2H11 SAT 101 -2.226 -11.196 -13.263 695 H22 PN7 101 2HS1 SAT 101 -2.947 -11.741 -15.637
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