NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26345 | 2kif | 16272 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -15.803 -4.267 14.390 2 H2 MET 1 2H MET 1 -16.798 -2.982 13.922 3 H3 MET 1 3H MET 1 -15.460 -2.698 14.913 4 HA MET 1 HA MET 1 -15.069 -2.012 12.617 5 HB2 MET 1 2HB MET 1 -13.227 -2.754 14.133 6 HB3 MET 1 1HB MET 1 -13.380 -4.378 13.475 7 HG2 MET 1 2HG MET 1 -11.511 -3.090 12.504 8 HG3 MET 1 1HG MET 1 -12.689 -3.624 11.303 9 HE1 MET 1 3HE MET 1 -10.380 -1.209 11.188 10 HE2 MET 1 1HE MET 1 -11.240 -0.038 10.186 11 HE3 MET 1 2HE MET 1 -11.273 -1.749 9.766 12 H ASP 2 H ASP 2 -15.348 -2.390 10.482 13 HA ASP 2 HA ASP 2 -17.062 -4.371 9.567 14 HB2 ASP 2 2HB ASP 2 -15.036 -2.791 7.970 15 HB3 ASP 2 1HB ASP 2 -16.431 -3.636 7.302 16 H GLN 3 H GLN 3 -16.851 -6.437 8.938 17 HA GLN 3 HA GLN 3 -14.601 -7.976 9.437 18 HB2 GLN 3 2HB GLN 3 -16.877 -8.900 9.133 19 HB3 GLN 3 1HB GLN 3 -16.769 -8.573 7.408 20 HG2 GLN 3 2HG GLN 3 -16.352 -10.915 7.877 21 HG3 GLN 3 1HG GLN 3 -14.913 -10.145 7.212 22 HE21 GLN 3 1HE2 GLN 3 -13.136 -9.792 8.574 23 HE22 GLN 3 2HE2 GLN 3 -12.954 -10.642 10.069 24 H PHE 4 H PHE 4 -15.622 -6.561 6.322 25 HA PHE 4 HA PHE 4 -13.654 -7.632 4.670 26 HB2 PHE 4 2HB PHE 4 -15.448 -6.410 3.671 27 HB3 PHE 4 1HB PHE 4 -15.075 -4.964 4.601 28 HD1 PHE 4 HD1 PHE 4 -13.492 -7.238 2.088 29 HD2 PHE 4 HD2 PHE 4 -13.907 -3.259 3.559 30 HE1 PHE 4 HE1 PHE 4 -12.093 -6.409 0.244 31 HE2 PHE 4 HE2 PHE 4 -12.507 -2.428 1.716 32 HZ PHE 4 HZ PHE 4 -11.599 -4.004 0.057 33 H LEU 5 H LEU 5 -13.556 -4.585 6.509 34 HA LEU 5 HA LEU 5 -10.953 -3.818 5.789 35 HB2 LEU 5 2HB LEU 5 -12.472 -3.201 8.329 36 HB3 LEU 5 1HB LEU 5 -11.062 -2.332 7.745 37 HG LEU 5 HG LEU 5 -13.741 -2.467 6.341 38 HD11 LEU 5 1HD1 LEU 5 -13.870 -1.132 8.357 39 HD12 LEU 5 2HD1 LEU 5 -13.924 -0.091 6.935 40 HD13 LEU 5 3HD1 LEU 5 -12.437 -0.221 7.879 41 HD21 LEU 5 3HD2 LEU 5 -12.810 -0.764 4.848 42 HD22 LEU 5 1HD2 LEU 5 -11.894 -2.269 4.760 43 HD23 LEU 5 2HD2 LEU 5 -11.252 -0.896 5.663 44 H VAL 6 H VAL 6 -12.113 -5.749 8.547 45 HA VAL 6 HA VAL 6 -9.657 -6.088 9.866 46 HB VAL 6 HB VAL 6 -11.959 -8.056 9.704 47 HG11 VAL 6 1HG1 VAL 6 -9.955 -9.143 10.534 48 HG12 VAL 6 2HG1 VAL 6 -11.098 -8.907 11.856 49 HG13 VAL 6 3HG1 VAL 6 -9.700 -7.844 11.700 50 HG21 VAL 6 3HG2 VAL 6 -12.731 -7.051 11.796 51 HG22 VAL 6 1HG2 VAL 6 -12.664 -5.849 10.506 52 HG23 VAL 6 2HG2 VAL 6 -11.403 -5.890 11.738 53 H GLN 7 H GLN 7 -11.113 -7.930 7.207 54 HA GLN 7 HA GLN 7 -9.194 -10.014 7.156 55 HB2 GLN 7 2HB GLN 7 -11.017 -9.014 4.953 56 HB3 GLN 7 1HB GLN 7 -10.118 -10.524 4.912 57 HG2 GLN 7 2HG GLN 7 -12.206 -9.840 6.975 58 HG3 GLN 7 1HG GLN 7 -12.511 -10.789 5.523 59 HE21 GLN 7 1HE2 GLN 7 -10.908 -10.731 8.622 60 HE22 GLN 7 2HE2 GLN 7 -10.640 -12.432 8.730 61 H ILE 8 H ILE 8 -9.529 -7.149 5.010 62 HA ILE 8 HA ILE 8 -7.158 -7.648 3.560 63 HB ILE 8 HB ILE 8 -7.289 -5.301 2.792 64 HG12 ILE 8 2HG1 ILE 8 -9.661 -5.085 4.673 65 HG13 ILE 8 1HG1 ILE 8 -8.108 -4.292 4.908 66 HG21 ILE 8 1HG2 ILE 8 -8.579 -7.032 1.669 67 HG22 ILE 8 2HG2 ILE 8 -9.454 -5.501 1.656 68 HG23 ILE 8 3HG2 ILE 8 -9.925 -6.777 2.780 69 HD11 ILE 8 3HD1 ILE 8 -10.045 -3.788 2.657 70 HD12 ILE 8 1HD1 ILE 8 -8.464 -3.024 2.834 71 HD13 ILE 8 2HD1 ILE 8 -9.723 -2.733 4.033 72 H PHE 9 H PHE 9 -7.727 -5.581 6.417 73 HA PHE 9 HA PHE 9 -5.132 -4.509 6.609 74 HB2 PHE 9 2HB PHE 9 -7.198 -5.055 8.749 75 HB3 PHE 9 1HB PHE 9 -5.691 -4.205 9.062 76 HD1 PHE 9 HD1 PHE 9 -6.576 -3.275 5.841 77 HD2 PHE 9 HD2 PHE 9 -7.760 -2.673 9.893 78 HE1 PHE 9 HE1 PHE 9 -7.632 -1.149 5.215 79 HE2 PHE 9 HE2 PHE 9 -8.820 -0.544 9.264 80 HZ PHE 9 HZ PHE 9 -8.757 0.219 6.925 81 H ALA 10 H ALA 10 -6.528 -7.438 8.085 82 HA ALA 10 HA ALA 10 -4.365 -8.332 9.561 83 HB1 ALA 10 3HB ALA 10 -6.581 -9.403 9.587 84 HB2 ALA 10 1HB ALA 10 -5.292 -10.579 9.330 85 HB3 ALA 10 2HB ALA 10 -6.285 -10.048 7.973 86 H VAL 11 H VAL 11 -5.011 -8.821 6.098 87 HA VAL 11 HA VAL 11 -2.757 -10.445 5.549 88 HB VAL 11 HB VAL 11 -4.257 -8.594 3.679 89 HG11 VAL 11 1HG1 VAL 11 -2.397 -10.895 3.044 90 HG12 VAL 11 2HG1 VAL 11 -2.078 -9.184 2.756 91 HG13 VAL 11 3HG1 VAL 11 -3.363 -10.000 1.868 92 HG21 VAL 11 3HG2 VAL 11 -5.488 -10.602 3.001 93 HG22 VAL 11 1HG2 VAL 11 -5.713 -10.258 4.716 94 HG23 VAL 11 2HG2 VAL 11 -4.621 -11.547 4.212 95 H ILE 12 H ILE 12 -3.256 -6.937 5.268 96 HA ILE 12 HA ILE 12 -0.833 -6.202 4.105 97 HB ILE 12 HB ILE 12 -2.495 -4.629 6.088 98 HG12 ILE 12 2HG1 ILE 12 -2.511 -4.523 3.059 99 HG13 ILE 12 1HG1 ILE 12 -3.660 -5.456 4.011 100 HG21 ILE 12 1HG2 ILE 12 -1.452 -2.634 5.106 101 HG22 ILE 12 2HG2 ILE 12 -0.427 -3.662 4.106 102 HG23 ILE 12 3HG2 ILE 12 -0.249 -3.680 5.861 103 HD11 ILE 12 3HD1 ILE 12 -3.307 -2.469 4.123 104 HD12 ILE 12 1HD1 ILE 12 -4.478 -3.416 5.042 105 HD13 ILE 12 2HD1 ILE 12 -4.594 -3.337 3.285 106 H HIS 13 H HIS 13 -1.554 -6.863 7.507 107 HA HIS 13 HA HIS 13 0.798 -5.810 8.631 108 HB2 HIS 13 2HB HIS 13 -1.081 -7.983 9.528 109 HB3 HIS 13 1HB HIS 13 0.350 -7.576 10.466 110 HD2 HIS 13 HD2 HIS 13 -3.248 -6.545 10.221 111 HE1 HIS 13 HE1 HIS 13 -1.189 -3.333 12.050 112 HE2 HIS 13 HE2 HIS 13 -3.437 -4.452 11.745 113 H GLN 14 H GLN 14 0.451 -8.576 6.633 114 HA GLN 14 HA GLN 14 2.831 -9.932 7.593 115 HB2 GLN 14 2HB GLN 14 0.770 -10.463 5.517 116 HB3 GLN 14 1HB GLN 14 2.364 -11.136 5.220 117 HG2 GLN 14 2HG GLN 14 0.956 -12.764 6.303 118 HG3 GLN 14 1HG GLN 14 2.284 -12.302 7.358 119 HE21 GLN 14 1HE2 GLN 14 -0.591 -10.384 6.811 120 HE22 GLN 14 2HE2 GLN 14 -1.228 -10.547 8.406 121 H ILE 15 H ILE 15 2.341 -7.230 5.666 122 HA ILE 15 HA ILE 15 4.507 -7.670 3.802 123 HB ILE 15 HB ILE 15 3.104 -5.067 4.469 124 HG12 ILE 15 2HG1 ILE 15 2.533 -7.045 2.234 125 HG13 ILE 15 1HG1 ILE 15 1.536 -6.832 3.670 126 HG21 ILE 15 1HG2 ILE 15 3.926 -4.350 2.265 127 HG22 ILE 15 2HG2 ILE 15 4.778 -5.885 2.089 128 HG23 ILE 15 3HG2 ILE 15 5.250 -4.753 3.357 129 HD11 ILE 15 3HD1 ILE 15 1.036 -4.548 2.995 130 HD12 ILE 15 1HD1 ILE 15 0.599 -5.699 1.732 131 HD13 ILE 15 2HD1 ILE 15 2.067 -4.734 1.574 132 HA PRO 16 HA PRO 16 7.584 -6.502 6.910 133 HB2 PRO 16 2HB PRO 16 9.525 -6.879 4.726 134 HB3 PRO 16 1HB PRO 16 9.375 -7.746 6.256 135 HG2 PRO 16 2HG PRO 16 8.753 -8.901 3.907 136 HG3 PRO 16 1HG PRO 16 7.867 -9.273 5.400 137 HD2 PRO 16 2HD PRO 16 7.096 -7.439 3.143 138 HD3 PRO 16 1HD PRO 16 6.102 -8.625 4.018 139 H LYS 17 H LYS 17 9.469 -4.973 7.027 140 HA LYS 17 HA LYS 17 8.705 -2.395 6.142 141 HB2 LYS 17 2HB LYS 17 9.955 -2.749 8.224 142 HB3 LYS 17 1HB LYS 17 11.345 -3.320 7.310 143 HG2 LYS 17 2HG LYS 17 11.564 -1.107 6.267 144 HG3 LYS 17 1HG LYS 17 10.178 -0.537 7.196 145 HD2 LYS 17 2HD LYS 17 11.424 -1.005 9.284 146 HD3 LYS 17 1HD LYS 17 12.818 -1.496 8.317 147 HE2 LYS 17 2HE LYS 17 13.203 0.759 8.987 148 HE3 LYS 17 1HE LYS 17 12.775 0.802 7.279 149 HZ1 LYS 17 3HZ LYS 17 10.520 1.435 7.915 150 HZ2 LYS 17 1HZ LYS 17 11.660 2.546 8.483 151 HZ3 LYS 17 2HZ LYS 17 10.960 1.434 9.547 152 H GLY 18 H GLY 18 9.018 -1.457 4.226 153 HA2 GLY 18 2HA GLY 18 10.319 -0.684 2.421 154 HA3 GLY 18 1HA GLY 18 11.500 -1.937 2.747 155 H LYS 19 H LYS 19 8.245 -3.032 2.604 156 HA LYS 19 HA LYS 19 8.593 -3.858 -0.215 157 HB2 LYS 19 2HB LYS 19 7.280 -5.354 2.064 158 HB3 LYS 19 1HB LYS 19 7.130 -5.830 0.379 159 HG2 LYS 19 2HG LYS 19 9.683 -5.716 1.983 160 HG3 LYS 19 1HG LYS 19 8.807 -7.170 1.501 161 HD2 LYS 19 2HD LYS 19 9.159 -6.421 -0.902 162 HD3 LYS 19 1HD LYS 19 10.275 -5.213 -0.266 163 HE2 LYS 19 2HE LYS 19 10.511 -8.208 0.047 164 HE3 LYS 19 1HE LYS 19 11.484 -7.191 -1.012 165 HZ1 LYS 19 3HZ LYS 19 12.647 -7.753 1.030 166 HZ2 LYS 19 1HZ LYS 19 11.431 -7.033 1.953 167 HZ3 LYS 19 2HZ LYS 19 12.387 -6.085 0.933 168 H VAL 20 H VAL 20 6.817 -3.754 -1.591 169 HA VAL 20 HA VAL 20 4.328 -2.599 -0.516 170 HB VAL 20 HB VAL 20 4.060 -1.214 -2.524 171 HG11 VAL 20 1HG1 VAL 20 5.074 -0.209 -0.548 172 HG12 VAL 20 2HG1 VAL 20 5.754 0.487 -2.018 173 HG13 VAL 20 3HG1 VAL 20 6.676 -0.701 -1.097 174 HG21 VAL 20 3HG2 VAL 20 6.833 -2.171 -3.266 175 HG22 VAL 20 1HG2 VAL 20 5.967 -0.858 -4.064 176 HG23 VAL 20 2HG2 VAL 20 5.333 -2.502 -4.135 177 H SER 21 H SER 21 2.439 -3.411 -1.331 178 HA SER 21 HA SER 21 2.624 -5.417 -3.501 179 HB2 SER 21 2HB SER 21 0.790 -6.651 -2.404 180 HB3 SER 21 1HB SER 21 2.185 -6.504 -1.337 181 HG SER 21 HG SER 21 0.379 -5.989 -0.155 182 H THR 22 H THR 22 0.401 -5.817 -4.546 183 HA THR 22 HA THR 22 -0.805 -3.200 -5.128 184 HB THR 22 HB THR 22 -1.821 -4.221 -7.078 185 HG1 THR 22 HG1 THR 22 -0.581 -6.685 -6.396 186 HG21 THR 22 3HG2 THR 22 0.521 -3.490 -7.297 187 HG22 THR 22 1HG2 THR 22 0.179 -4.878 -8.331 188 HG23 THR 22 2HG2 THR 22 1.066 -5.101 -6.823 189 H TYR 23 H TYR 23 -3.015 -2.787 -4.984 190 HA TYR 23 HA TYR 23 -4.449 -3.796 -2.843 191 HB2 TYR 23 2HB TYR 23 -5.573 -2.547 -5.366 192 HB3 TYR 23 1HB TYR 23 -6.438 -2.716 -3.841 193 HD1 TYR 23 HD2 TYR 23 -5.208 -1.659 -1.755 194 HD2 TYR 23 HD1 TYR 23 -4.483 -0.530 -5.796 195 HE1 TYR 23 HE2 TYR 23 -4.292 0.484 -0.988 196 HE2 TYR 23 HE1 TYR 23 -3.564 1.621 -5.032 197 HH TYR 23 HH TYR 23 -2.684 2.200 -1.843 198 H GLY 24 H GLY 24 -4.378 -4.991 -6.152 199 HA2 GLY 24 2HA GLY 24 -6.604 -6.731 -6.010 200 HA3 GLY 24 1HA GLY 24 -5.254 -6.884 -7.122 201 H GLU 25 H GLU 25 -3.153 -7.305 -5.342 202 HA GLU 25 HA GLU 25 -3.392 -10.070 -4.789 203 HB2 GLU 25 2HB GLU 25 -1.326 -8.048 -3.885 204 HB3 GLU 25 1HB GLU 25 -1.175 -9.786 -3.652 205 HG2 GLU 25 2HG GLU 25 -1.091 -10.176 -6.001 206 HG3 GLU 25 1HG GLU 25 -1.509 -8.503 -6.355 207 H ILE 26 H ILE 26 -3.403 -7.231 -2.635 208 HA ILE 26 HA ILE 26 -3.684 -8.600 -0.198 209 HB ILE 26 HB ILE 26 -4.704 -5.851 -0.963 210 HG12 ILE 26 2HG1 ILE 26 -2.268 -6.116 -1.188 211 HG13 ILE 26 1HG1 ILE 26 -2.670 -5.033 0.138 212 HG21 ILE 26 1HG2 ILE 26 -4.732 -5.381 1.461 213 HG22 ILE 26 2HG2 ILE 26 -4.381 -7.080 1.779 214 HG23 ILE 26 3HG2 ILE 26 -5.896 -6.622 1.001 215 HD11 ILE 26 3HD1 ILE 26 -2.254 -6.838 1.738 216 HD12 ILE 26 1HD1 ILE 26 -0.842 -6.512 0.734 217 HD13 ILE 26 2HD1 ILE 26 -1.849 -7.922 0.406 218 H ALA 27 H ALA 27 -6.216 -7.210 -2.310 219 HA ALA 27 HA ALA 27 -8.459 -8.010 -0.851 220 HB1 ALA 27 3HB ALA 27 -8.231 -7.766 -3.855 221 HB2 ALA 27 1HB ALA 27 -8.525 -6.431 -2.742 222 HB3 ALA 27 2HB ALA 27 -9.720 -7.717 -2.911 223 H LYS 28 H LYS 28 -6.690 -9.745 -3.403 224 HA LYS 28 HA LYS 28 -8.308 -12.022 -3.576 225 HB2 LYS 28 2HB LYS 28 -6.474 -11.440 -5.156 226 HB3 LYS 28 1HB LYS 28 -5.301 -11.883 -3.923 227 HG2 LYS 28 2HG LYS 28 -6.211 -14.192 -3.948 228 HG3 LYS 28 1HG LYS 28 -7.294 -13.717 -5.257 229 HD2 LYS 28 2HD LYS 28 -4.270 -13.698 -5.331 230 HD3 LYS 28 1HD LYS 28 -5.328 -14.856 -6.138 231 HE2 LYS 28 2HE LYS 28 -5.121 -11.896 -6.708 232 HE3 LYS 28 1HE LYS 28 -4.537 -13.207 -7.730 233 HZ1 LYS 28 3HZ LYS 28 -7.359 -12.543 -7.102 234 HZ2 LYS 28 1HZ LYS 28 -6.889 -13.958 -7.901 235 HZ3 LYS 28 2HZ LYS 28 -6.593 -12.451 -8.601 236 H MET 29 H MET 29 -5.434 -11.452 -1.536 237 HA MET 29 HA MET 29 -5.502 -13.965 -0.225 238 HB2 MET 29 2HB MET 29 -4.316 -11.347 0.729 239 HB3 MET 29 1HB MET 29 -3.988 -12.927 1.430 240 HG2 MET 29 2HG MET 29 -3.028 -13.651 -0.725 241 HG3 MET 29 1HG MET 29 -3.300 -12.031 -1.364 242 HE1 MET 29 3HE MET 29 0.560 -11.999 -0.988 243 HE2 MET 29 1HE MET 29 -0.803 -11.585 -2.027 244 HE3 MET 29 2HE MET 29 -0.497 -13.270 -1.603 245 H ALA 30 H ALA 30 -7.173 -10.953 0.378 246 HA ALA 30 HA ALA 30 -8.139 -11.698 2.988 247 HB1 ALA 30 3HB ALA 30 -9.520 -9.694 2.826 248 HB2 ALA 30 1HB ALA 30 -9.110 -9.535 1.117 249 HB3 ALA 30 2HB ALA 30 -7.858 -9.347 2.345 250 H GLY 31 H GLY 31 -9.112 -12.348 -0.257 251 HA2 GLY 31 2HA GLY 31 -10.665 -14.018 -0.849 252 HA3 GLY 31 1HA GLY 31 -11.403 -13.879 0.736 253 H TYR 32 H TYR 32 -10.801 -10.968 -1.063 254 HA TYR 32 HA TYR 32 -13.656 -10.844 -1.827 255 HB2 TYR 32 2HB TYR 32 -11.960 -8.602 -0.702 256 HB3 TYR 32 1HB TYR 32 -13.598 -8.413 -1.316 257 HD1 TYR 32 HD2 TYR 32 -11.550 -9.817 1.407 258 HD2 TYR 32 HD1 TYR 32 -15.508 -9.105 0.000 259 HE1 TYR 32 HE2 TYR 32 -12.433 -10.322 3.643 260 HE2 TYR 32 HE1 TYR 32 -16.398 -9.604 2.239 261 HH TYR 32 HH TYR 32 -15.609 -10.978 4.281 262 HA PRO 33 HA PRO 33 -11.158 -10.211 -5.714 263 HB2 PRO 33 2HB PRO 33 -13.646 -11.414 -6.815 264 HB3 PRO 33 1HB PRO 33 -11.958 -11.818 -7.144 265 HG2 PRO 33 2HG PRO 33 -13.473 -13.429 -5.654 266 HG3 PRO 33 1HG PRO 33 -11.767 -13.152 -5.249 267 HD2 PRO 33 2HD PRO 33 -14.228 -11.964 -4.002 268 HD3 PRO 33 1HD PRO 33 -12.749 -12.572 -3.224 269 H GLY 34 H GLY 34 -11.281 -8.314 -6.805 270 HA2 GLY 34 2HA GLY 34 -12.323 -6.649 -8.101 271 HA3 GLY 34 1HA GLY 34 -13.885 -7.184 -7.508 272 H TYR 35 H TYR 35 -12.239 -6.978 -4.751 273 HA TYR 35 HA TYR 35 -13.270 -4.319 -4.161 274 HB2 TYR 35 2HB TYR 35 -12.274 -6.599 -2.464 275 HB3 TYR 35 1HB TYR 35 -12.550 -5.004 -1.774 276 HD1 TYR 35 HD1 TYR 35 -14.307 -7.615 -3.814 277 HD2 TYR 35 HD2 TYR 35 -14.660 -4.494 -0.932 278 HE1 TYR 35 HE1 TYR 35 -16.688 -8.155 -3.524 279 HE2 TYR 35 HE2 TYR 35 -17.042 -5.028 -0.639 280 HH TYR 35 HH TYR 35 -18.472 -7.878 -2.016 281 H ALA 36 H ALA 36 -10.716 -4.760 -5.731 282 HA ALA 36 HA ALA 36 -8.431 -4.135 -4.273 283 HB1 ALA 36 3HB ALA 36 -7.482 -3.339 -6.376 284 HB2 ALA 36 1HB ALA 36 -9.095 -3.269 -7.089 285 HB3 ALA 36 2HB ALA 36 -8.403 -4.823 -6.623 286 H ARG 37 H ARG 37 -10.475 -1.791 -6.069 287 HA ARG 37 HA ARG 37 -9.238 0.536 -5.119 288 HB2 ARG 37 2HB ARG 37 -10.683 0.672 -7.026 289 HB3 ARG 37 1HB ARG 37 -12.055 0.060 -6.110 290 HG2 ARG 37 2HG ARG 37 -12.304 2.076 -4.918 291 HG3 ARG 37 1HG ARG 37 -10.707 2.654 -5.397 292 HD2 ARG 37 2HD ARG 37 -12.412 3.842 -6.633 293 HD3 ARG 37 1HD ARG 37 -11.497 2.813 -7.732 294 HE ARG 37 HE ARG 37 -13.844 1.512 -6.784 295 HH11 ARG 37 1HH1 ARG 37 -12.736 3.898 -9.003 296 HH12 ARG 37 2HH1 ARG 37 -14.062 3.662 -10.089 297 HH21 ARG 37 1HH2 ARG 37 -15.544 1.211 -8.188 298 HH22 ARG 37 2HH2 ARG 37 -15.625 2.138 -9.645 299 H HIS 38 H HIS 38 -11.713 -1.466 -3.662 300 HA HIS 38 HA HIS 38 -12.576 0.350 -1.675 301 HB2 HIS 38 2HB HIS 38 -12.620 -2.676 -1.703 302 HB3 HIS 38 1HB HIS 38 -13.481 -1.670 -0.540 303 HD2 HIS 38 HD2 HIS 38 -13.609 -2.569 -4.347 304 HE1 HIS 38 HE1 HIS 38 -17.202 -0.648 -3.231 305 HE2 HIS 38 HE2 HIS 38 -16.074 -2.076 -4.985 306 H VAL 39 H VAL 39 -10.058 -2.178 -1.633 307 HA VAL 39 HA VAL 39 -9.109 -1.771 0.973 308 HB VAL 39 HB VAL 39 -7.434 -2.423 -1.473 309 HG11 VAL 39 1HG1 VAL 39 -5.899 -3.493 0.126 310 HG12 VAL 39 2HG1 VAL 39 -6.905 -2.927 1.460 311 HG13 VAL 39 3HG1 VAL 39 -6.065 -1.764 0.434 312 HG21 VAL 39 3HG2 VAL 39 -7.770 -4.782 -0.840 313 HG22 VAL 39 1HG2 VAL 39 -9.285 -3.987 -1.267 314 HG23 VAL 39 2HG2 VAL 39 -8.885 -4.269 0.427 315 H GLY 40 H GLY 40 -8.464 -0.023 -2.029 316 HA2 GLY 40 2HA GLY 40 -6.445 1.714 -1.082 317 HA3 GLY 40 1HA GLY 40 -7.500 2.024 -2.451 318 H LYS 41 H LYS 41 -9.985 2.017 -1.040 319 HA LYS 41 HA LYS 41 -10.120 4.659 -0.050 320 HB2 LYS 41 2HB LYS 41 -12.069 2.409 0.516 321 HB3 LYS 41 1HB LYS 41 -12.395 4.131 0.654 322 HG2 LYS 41 2HG LYS 41 -12.038 4.333 -1.804 323 HG3 LYS 41 1HG LYS 41 -11.892 2.573 -1.878 324 HD2 LYS 41 2HD LYS 41 -14.300 4.173 -0.995 325 HD3 LYS 41 1HD LYS 41 -14.155 3.181 -2.446 326 HE2 LYS 41 2HE LYS 41 -14.028 1.167 -1.114 327 HE3 LYS 41 1HE LYS 41 -13.985 2.108 0.375 328 HZ1 LYS 41 3HZ LYS 41 -16.219 2.865 -0.053 329 HZ2 LYS 41 1HZ LYS 41 -16.175 1.173 -0.064 330 HZ3 LYS 41 2HZ LYS 41 -16.267 2.026 -1.520 331 H ALA 42 H ALA 42 -10.063 1.527 1.617 332 HA ALA 42 HA ALA 42 -10.409 2.373 4.243 333 HB1 ALA 42 3HB ALA 42 -8.744 0.055 3.252 334 HB2 ALA 42 1HB ALA 42 -10.482 0.030 3.542 335 HB3 ALA 42 2HB ALA 42 -9.368 0.256 4.890 336 H LEU 43 H LEU 43 -7.325 1.841 2.513 337 HA LEU 43 HA LEU 43 -5.641 2.636 4.634 338 HB2 LEU 43 2HB LEU 43 -5.091 2.743 1.663 339 HB3 LEU 43 1HB LEU 43 -3.881 2.783 2.936 340 HG LEU 43 HG LEU 43 -5.679 0.458 2.219 341 HD11 LEU 43 1HD1 LEU 43 -2.683 0.772 2.070 342 HD12 LEU 43 2HD1 LEU 43 -3.794 0.810 0.703 343 HD13 LEU 43 3HD1 LEU 43 -3.606 -0.671 1.643 344 HD21 LEU 43 3HD2 LEU 43 -3.651 0.667 4.451 345 HD22 LEU 43 1HD2 LEU 43 -4.508 -0.797 3.965 346 HD23 LEU 43 2HD2 LEU 43 -5.401 0.562 4.643 347 H GLY 44 H GLY 44 -6.932 4.482 1.864 348 HA2 GLY 44 2HA GLY 44 -5.693 6.949 2.532 349 HA3 GLY 44 1HA GLY 44 -7.106 6.751 1.509 350 H ASN 45 H ASN 45 -8.480 5.340 3.803 351 HA ASN 45 HA ASN 45 -9.679 7.676 5.002 352 HB2 ASN 45 2HB ASN 45 -11.020 5.715 4.300 353 HB3 ASN 45 1HB ASN 45 -10.195 4.728 5.502 354 HD21 ASN 45 1HD2 ASN 45 -10.654 5.058 7.687 355 HD22 ASN 45 2HD2 ASN 45 -12.070 5.897 8.203 356 H LEU 46 H LEU 46 -7.213 5.433 5.874 357 HA LEU 46 HA LEU 46 -7.351 5.782 8.721 358 HB2 LEU 46 2HB LEU 46 -5.170 4.723 6.915 359 HB3 LEU 46 1HB LEU 46 -5.090 4.691 8.667 360 HG LEU 46 HG LEU 46 -7.226 3.290 7.049 361 HD11 LEU 46 1HD1 LEU 46 -4.731 2.154 8.312 362 HD12 LEU 46 2HD1 LEU 46 -5.040 2.321 6.582 363 HD13 LEU 46 3HD1 LEU 46 -6.025 1.226 7.550 364 HD21 LEU 46 3HD2 LEU 46 -7.939 3.838 9.310 365 HD22 LEU 46 1HD2 LEU 46 -6.469 3.120 9.971 366 HD23 LEU 46 2HD2 LEU 46 -7.664 2.102 9.164 367 HA PRO 47 HA PRO 47 -4.944 9.541 9.261 368 HB2 PRO 47 2HB PRO 47 -3.458 8.858 11.476 369 HB3 PRO 47 1HB PRO 47 -5.146 9.379 11.542 370 HG2 PRO 47 2HG PRO 47 -4.015 6.602 11.588 371 HG3 PRO 47 1HG PRO 47 -5.323 7.295 12.568 372 HD2 PRO 47 2HD PRO 47 -5.838 5.720 10.448 373 HD3 PRO 47 1HD PRO 47 -6.881 7.102 10.849 374 H GLU 48 H GLU 48 -2.645 10.307 9.323 375 HA GLU 48 HA GLU 48 -1.200 8.984 7.289 376 HB2 GLU 48 2HB GLU 48 0.405 10.754 7.458 377 HB3 GLU 48 1HB GLU 48 -1.196 11.437 7.666 378 HG2 GLU 48 2HG GLU 48 -0.106 12.548 9.316 379 HG3 GLU 48 1HG GLU 48 -0.620 11.131 10.230 380 H GLY 49 H GLY 49 -0.988 8.752 10.756 381 HA2 GLY 49 2HA GLY 49 1.227 6.813 10.425 382 HA3 GLY 49 1HA GLY 49 1.237 7.993 11.725 383 H SER 50 H SER 50 -0.989 5.526 10.386 384 HA SER 50 HA SER 50 -2.111 4.968 12.987 385 HB2 SER 50 2HB SER 50 -3.540 4.775 11.029 386 HB3 SER 50 1HB SER 50 -2.464 3.574 10.318 387 HG SER 50 HG SER 50 -4.509 3.168 11.946 388 H LYS 51 H LYS 51 -2.290 2.595 13.681 389 HA LYS 51 HA LYS 51 0.279 1.466 14.141 390 HB2 LYS 51 2HB LYS 51 -0.989 -0.451 15.102 391 HB3 LYS 51 1HB LYS 51 -1.489 1.107 15.746 392 HG2 LYS 51 2HG LYS 51 -3.469 1.100 14.366 393 HG3 LYS 51 1HG LYS 51 -2.942 -0.376 13.557 394 HD2 LYS 51 2HD LYS 51 -4.665 -0.818 15.259 395 HD3 LYS 51 1HD LYS 51 -3.141 -1.622 15.634 396 HE2 LYS 51 2HE LYS 51 -4.151 -0.618 17.627 397 HE3 LYS 51 1HE LYS 51 -2.598 0.122 17.248 398 HZ1 LYS 51 3HZ LYS 51 -3.709 2.013 16.332 399 HZ2 LYS 51 1HZ LYS 51 -4.347 1.726 17.870 400 HZ3 LYS 51 2HZ LYS 51 -5.223 1.283 16.495 401 H LEU 52 H LEU 52 -2.176 0.963 11.718 402 HA LEU 52 HA LEU 52 -0.903 -1.404 10.605 403 HB2 LEU 52 2HB LEU 52 -3.315 -1.287 10.512 404 HB3 LEU 52 1HB LEU 52 -3.256 0.274 9.714 405 HG LEU 52 HG LEU 52 -2.107 -0.906 7.766 406 HD11 LEU 52 1HD1 LEU 52 -2.491 -3.314 7.554 407 HD12 LEU 52 2HD1 LEU 52 -3.098 -3.364 9.210 408 HD13 LEU 52 3HD1 LEU 52 -1.417 -2.935 8.897 409 HD21 LEU 52 3HD2 LEU 52 -4.220 -1.720 6.837 410 HD22 LEU 52 1HD2 LEU 52 -4.422 -0.181 7.672 411 HD23 LEU 52 2HD2 LEU 52 -4.944 -1.677 8.446 412 HA PRO 53 HA PRO 53 1.692 1.142 7.885 413 HB2 PRO 53 2HB PRO 53 2.730 -0.945 6.445 414 HB3 PRO 53 1HB PRO 53 3.356 -0.446 8.020 415 HG2 PRO 53 2HG PRO 53 1.480 -2.682 7.347 416 HG3 PRO 53 1HG PRO 53 2.843 -2.671 8.482 417 HD2 PRO 53 2HD PRO 53 0.272 -2.436 9.306 418 HD3 PRO 53 1HD PRO 53 1.609 -1.621 10.145 419 H TRP 54 H TRP 54 0.009 2.119 6.774 420 HA TRP 54 HA TRP 54 -1.601 0.708 4.830 421 HB2 TRP 54 2HB TRP 54 -2.603 2.979 4.458 422 HB3 TRP 54 1HB TRP 54 -2.636 2.463 6.142 423 HD1 TRP 54 HD1 TRP 54 -1.074 3.804 7.870 424 HE1 TRP 54 HE1 TRP 54 0.104 6.091 7.720 425 HE3 TRP 54 HE3 TRP 54 -1.481 4.591 2.838 426 HZ2 TRP 54 HZ2 TRP 54 0.757 7.980 5.730 427 HZ3 TRP 54 HZ3 TRP 54 -0.565 6.665 1.895 428 HH2 TRP 54 HH2 TRP 54 0.528 8.320 3.308 429 H PHE 55 H PHE 55 1.217 2.729 4.798 430 HA PHE 55 HA PHE 55 1.125 3.625 2.118 431 HB2 PHE 55 2HB PHE 55 3.639 4.053 2.569 432 HB3 PHE 55 1HB PHE 55 2.455 4.914 3.546 433 HD1 PHE 55 HD1 PHE 55 4.943 2.191 3.548 434 HD2 PHE 55 HD2 PHE 55 2.232 4.491 5.899 435 HE1 PHE 55 HE1 PHE 55 5.972 1.312 5.602 436 HE2 PHE 55 HE2 PHE 55 3.263 3.613 7.953 437 HZ PHE 55 HZ PHE 55 5.136 2.023 7.803 438 H ARG 56 H ARG 56 1.752 0.511 3.257 439 HA ARG 56 HA ARG 56 3.829 -0.146 1.332 440 HB2 ARG 56 2HB ARG 56 2.405 -1.812 3.415 441 HB3 ARG 56 1HB ARG 56 3.644 -2.448 2.339 442 HG2 ARG 56 2HG ARG 56 5.252 -0.821 3.260 443 HG3 ARG 56 1HG ARG 56 4.007 -0.246 4.371 444 HD2 ARG 56 2HD ARG 56 3.869 -2.492 5.360 445 HD3 ARG 56 1HD ARG 56 5.125 -3.053 4.256 446 HE ARG 56 HE ARG 56 6.378 -1.044 5.460 447 HH11 ARG 56 1HH1 ARG 56 4.501 -3.617 6.767 448 HH12 ARG 56 2HH1 ARG 56 5.339 -3.600 8.278 449 HH21 ARG 56 1HH2 ARG 56 7.455 -1.053 7.373 450 HH22 ARG 56 2HH2 ARG 56 6.995 -2.161 8.619 451 H VAL 57 H VAL 57 0.671 0.309 0.804 452 HA VAL 57 HA VAL 57 0.583 -1.877 -1.182 453 HB VAL 57 HB VAL 57 -1.866 -0.775 0.206 454 HG11 VAL 57 1HG1 VAL 57 -2.972 -2.743 -0.780 455 HG12 VAL 57 2HG1 VAL 57 -1.465 -3.166 -1.594 456 HG13 VAL 57 3HG1 VAL 57 -2.303 -1.671 -2.009 457 HG21 VAL 57 3HG2 VAL 57 -0.420 -3.373 0.759 458 HG22 VAL 57 1HG2 VAL 57 -1.952 -2.868 1.472 459 HG23 VAL 57 2HG2 VAL 57 -0.475 -1.975 1.834 460 H ILE 58 H ILE 58 0.684 -1.075 -3.173 461 HA ILE 58 HA ILE 58 -0.606 1.524 -3.756 462 HB ILE 58 HB ILE 58 1.063 1.849 -5.552 463 HG12 ILE 58 2HG1 ILE 58 2.406 -0.598 -4.352 464 HG13 ILE 58 1HG1 ILE 58 1.670 -0.501 -5.950 465 HG21 ILE 58 1HG2 ILE 58 2.941 2.458 -4.095 466 HG22 ILE 58 2HG2 ILE 58 2.254 1.473 -2.801 467 HG23 ILE 58 3HG2 ILE 58 1.392 2.899 -3.378 468 HD11 ILE 58 3HD1 ILE 58 4.077 1.048 -5.013 469 HD12 ILE 58 1HD1 ILE 58 3.343 1.154 -6.614 470 HD13 ILE 58 2HD1 ILE 58 4.086 -0.354 -6.082 471 H ASN 59 H ASN 59 -0.617 1.594 -6.458 472 HA ASN 59 HA ASN 59 -2.618 -0.422 -7.067 473 HB2 ASN 59 2HB ASN 59 -3.028 0.883 -9.118 474 HB3 ASN 59 1HB ASN 59 -3.094 1.885 -7.673 475 HD21 ASN 59 1HD2 ASN 59 -2.719 3.743 -8.873 476 HD22 ASN 59 2HD2 ASN 59 -1.175 4.123 -9.537 477 H SER 60 H SER 60 -2.626 -1.369 -9.347 478 HA SER 60 HA SER 60 -0.349 -3.051 -9.616 479 HB2 SER 60 2HB SER 60 -2.672 -3.723 -10.221 480 HB3 SER 60 1HB SER 60 -2.599 -2.637 -11.607 481 HG SER 60 HG SER 60 -0.792 -3.896 -12.353 482 H GLN 61 H GLN 61 -0.827 0.099 -10.675 483 HA GLN 61 HA GLN 61 0.779 -0.101 -13.099 484 HB2 GLN 61 2HB GLN 61 -0.345 2.333 -11.682 485 HB3 GLN 61 1HB GLN 61 0.420 2.331 -13.266 486 HG2 GLN 61 2HG GLN 61 -1.382 0.898 -14.123 487 HG3 GLN 61 1HG GLN 61 -2.153 0.933 -12.537 488 HE21 GLN 61 1HE2 GLN 61 -1.373 2.768 -15.379 489 HE22 GLN 61 2HE2 GLN 61 -2.445 4.085 -15.074 490 H GLY 62 H GLY 62 1.541 -0.161 -9.915 491 HA2 GLY 62 2HA GLY 62 3.497 0.203 -8.748 492 HA3 GLY 62 1HA GLY 62 4.274 0.546 -10.287 493 H LYS 63 H LYS 63 1.577 2.199 -8.684 494 HA LYS 63 HA LYS 63 3.218 4.611 -8.348 495 HB2 LYS 63 2HB LYS 63 0.608 4.508 -9.888 496 HB3 LYS 63 1HB LYS 63 1.417 5.992 -9.399 497 HG2 LYS 63 2HG LYS 63 3.306 5.498 -10.805 498 HG3 LYS 63 1HG LYS 63 2.653 3.903 -11.191 499 HD2 LYS 63 2HD LYS 63 0.733 4.965 -12.301 500 HD3 LYS 63 1HD LYS 63 1.395 6.557 -11.922 501 HE2 LYS 63 2HE LYS 63 1.874 5.910 -14.235 502 HE3 LYS 63 1HE LYS 63 3.358 6.077 -13.298 503 HZ1 LYS 63 3HZ LYS 63 3.476 3.693 -13.083 504 HZ2 LYS 63 1HZ LYS 63 3.355 4.103 -14.720 505 HZ3 LYS 63 2HZ LYS 63 2.008 3.499 -13.897 506 H ILE 64 H ILE 64 2.272 6.205 -6.932 507 HA ILE 64 HA ILE 64 0.809 5.080 -4.736 508 HB ILE 64 HB ILE 64 1.590 7.955 -5.313 509 HG12 ILE 64 2HG1 ILE 64 2.843 5.852 -3.518 510 HG13 ILE 64 1HG1 ILE 64 3.510 6.447 -5.034 511 HG21 ILE 64 1HG2 ILE 64 1.143 8.388 -2.936 512 HG22 ILE 64 2HG2 ILE 64 0.533 6.743 -2.751 513 HG23 ILE 64 3HG2 ILE 64 -0.314 7.887 -3.792 514 HD11 ILE 64 3HD1 ILE 64 4.629 7.428 -3.116 515 HD12 ILE 64 1HD1 ILE 64 3.096 8.075 -2.532 516 HD13 ILE 64 2HD1 ILE 64 3.782 8.660 -4.049 517 H SER 65 H SER 65 -1.354 5.054 -4.396 518 HA SER 65 HA SER 65 -3.149 5.988 -6.434 519 HB2 SER 65 2HB SER 65 -4.909 4.985 -5.131 520 HB3 SER 65 1HB SER 65 -3.515 3.909 -5.052 521 HG SER 65 HG SER 65 -3.809 4.063 -2.973 522 H LEU 66 H LEU 66 -2.151 7.150 -3.288 523 HA LEU 66 HA LEU 66 -4.155 9.187 -3.062 524 HB2 LEU 66 2HB LEU 66 -1.486 8.882 -1.673 525 HB3 LEU 66 1HB LEU 66 -2.720 10.048 -1.235 526 HG LEU 66 HG LEU 66 -2.994 7.038 -1.064 527 HD11 LEU 66 1HD1 LEU 66 -1.498 7.920 0.636 528 HD12 LEU 66 2HD1 LEU 66 -3.022 7.414 1.364 529 HD13 LEU 66 3HD1 LEU 66 -2.698 9.128 1.098 530 HD21 LEU 66 3HD2 LEU 66 -5.119 7.511 0.086 531 HD22 LEU 66 1HD2 LEU 66 -5.131 8.078 -1.584 532 HD23 LEU 66 2HD2 LEU 66 -4.918 9.229 -0.264 533 H LYS 67 H LYS 67 -3.796 11.489 -3.213 534 HA LYS 67 HA LYS 67 -1.599 12.248 -5.035 535 HB2 LYS 67 2HB LYS 67 -4.468 13.181 -5.297 536 HB3 LYS 67 1HB LYS 67 -3.126 13.612 -6.351 537 HG2 LYS 67 2HG LYS 67 -2.916 11.183 -6.942 538 HG3 LYS 67 1HG LYS 67 -4.400 10.895 -6.035 539 HD2 LYS 67 2HD LYS 67 -4.946 11.094 -8.373 540 HD3 LYS 67 1HD LYS 67 -5.563 12.516 -7.528 541 HE2 LYS 67 2HE LYS 67 -4.494 13.119 -9.652 542 HE3 LYS 67 1HE LYS 67 -3.643 13.818 -8.275 543 HZ1 LYS 67 3HZ LYS 67 -2.812 11.328 -9.664 544 HZ2 LYS 67 1HZ LYS 67 -1.958 12.144 -8.452 545 HZ3 LYS 67 2HZ LYS 67 -2.160 12.856 -9.971 546 H GLY 68 H GLY 68 -1.485 14.737 -5.251 547 HA2 GLY 68 2HA GLY 68 -0.945 16.723 -4.231 548 HA3 GLY 68 1HA GLY 68 -2.392 16.481 -3.269 549 H ARG 69 H ARG 69 -1.868 16.855 -1.189 550 HA ARG 69 HA ARG 69 0.681 16.526 -0.037 551 HB2 ARG 69 2HB ARG 69 -2.039 16.586 1.290 552 HB3 ARG 69 1HB ARG 69 -0.514 16.648 2.160 553 HG2 ARG 69 2HG ARG 69 0.027 18.740 0.879 554 HG3 ARG 69 1HG ARG 69 -1.629 18.706 0.265 555 HD2 ARG 69 2HD ARG 69 -1.413 20.171 2.228 556 HD3 ARG 69 1HD ARG 69 -2.497 18.815 2.541 557 HE ARG 69 HE ARG 69 0.316 18.760 3.417 558 HH11 ARG 69 1HH1 ARG 69 -3.043 18.554 4.140 559 HH12 ARG 69 2HH1 ARG 69 -2.773 17.974 5.745 560 HH21 ARG 69 1HH2 ARG 69 0.652 18.003 5.477 561 HH22 ARG 69 2HH2 ARG 69 -0.709 17.639 6.484 562 H ASP 70 H ASP 70 -2.095 14.338 -0.213 563 HA ASP 70 HA ASP 70 -1.113 12.409 1.608 564 HB2 ASP 70 2HB ASP 70 -3.142 12.183 -0.622 565 HB3 ASP 70 1HB ASP 70 -2.815 10.901 0.543 566 H LEU 71 H LEU 71 -0.454 12.950 -1.787 567 HA LEU 71 HA LEU 71 0.728 10.443 -2.374 568 HB2 LEU 71 2HB LEU 71 0.113 12.219 -4.041 569 HB3 LEU 71 1HB LEU 71 1.504 13.141 -3.512 570 HG LEU 71 HG LEU 71 1.803 10.351 -4.635 571 HD11 LEU 71 1HD1 LEU 71 1.822 12.937 -6.195 572 HD12 LEU 71 2HD1 LEU 71 0.581 11.686 -6.283 573 HD13 LEU 71 3HD1 LEU 71 2.224 11.336 -6.823 574 HD21 LEU 71 3HD2 LEU 71 4.063 11.170 -5.218 575 HD22 LEU 71 1HD2 LEU 71 3.758 11.220 -3.481 576 HD23 LEU 71 2HD2 LEU 71 3.693 12.704 -4.429 577 H ASP 72 H ASP 72 2.273 13.532 -1.422 578 HA ASP 72 HA ASP 72 4.829 12.403 -0.958 579 HB2 ASP 72 2HB ASP 72 4.527 14.795 -1.368 580 HB3 ASP 72 1HB ASP 72 3.619 14.953 0.134 581 H ARG 73 H ARG 73 1.991 12.713 1.037 582 HA ARG 73 HA ARG 73 2.993 12.124 3.575 583 HB2 ARG 73 2HB ARG 73 0.706 12.769 3.303 584 HB3 ARG 73 1HB ARG 73 0.395 11.446 2.196 585 HG2 ARG 73 2HG ARG 73 0.746 9.870 4.111 586 HG3 ARG 73 1HG ARG 73 0.809 11.279 5.171 587 HD2 ARG 73 2HD ARG 73 -1.431 11.864 4.715 588 HD3 ARG 73 1HD ARG 73 -1.501 10.827 3.291 589 HE ARG 73 HE ARG 73 -1.045 9.294 5.623 590 HH11 ARG 73 1HH1 ARG 73 -3.524 11.020 3.959 591 HH12 ARG 73 2HH1 ARG 73 -4.788 10.032 4.604 592 HH21 ARG 73 1HH2 ARG 73 -2.682 8.011 6.410 593 HH22 ARG 73 2HH2 ARG 73 -4.318 8.352 5.976 594 H GLN 74 H GLN 74 1.715 9.804 1.152 595 HA GLN 74 HA GLN 74 2.593 7.479 2.511 596 HB2 GLN 74 2HB GLN 74 0.862 7.566 0.674 597 HB3 GLN 74 1HB GLN 74 2.177 7.761 -0.478 598 HG2 GLN 74 2HG GLN 74 3.070 5.594 0.107 599 HG3 GLN 74 1HG GLN 74 1.873 5.411 1.386 600 HE21 GLN 74 1HE2 GLN 74 2.342 3.636 -0.815 601 HE22 GLN 74 2HE2 GLN 74 0.870 3.563 -1.713 602 H LYS 75 H LYS 75 4.048 9.441 -0.034 603 HA LYS 75 HA LYS 75 6.317 7.962 -0.621 604 HB2 LYS 75 2HB LYS 75 5.784 9.803 -1.992 605 HB3 LYS 75 1HB LYS 75 5.745 10.914 -0.634 606 HG2 LYS 75 2HG LYS 75 8.162 10.778 -0.418 607 HG3 LYS 75 1HG LYS 75 8.228 9.608 -1.741 608 HD2 LYS 75 2HD LYS 75 7.667 11.200 -3.348 609 HD3 LYS 75 1HD LYS 75 6.940 12.289 -2.165 610 HE2 LYS 75 2HE LYS 75 9.891 11.690 -2.403 611 HE3 LYS 75 1HE LYS 75 9.089 13.129 -3.034 612 HZ1 LYS 75 3HZ LYS 75 8.374 13.607 -0.716 613 HZ2 LYS 75 1HZ LYS 75 10.053 13.663 -0.941 614 HZ3 LYS 75 2HZ LYS 75 9.348 12.325 -0.190 615 H GLN 76 H GLN 76 6.117 10.614 1.814 616 HA GLN 76 HA GLN 76 8.749 10.378 2.734 617 HB2 GLN 76 2HB GLN 76 8.048 11.635 4.702 618 HB3 GLN 76 1HB GLN 76 7.342 12.321 3.248 619 HG2 GLN 76 2HG GLN 76 5.209 11.273 3.762 620 HG3 GLN 76 1HG GLN 76 5.907 10.514 5.190 621 HE21 GLN 76 1HE2 GLN 76 7.474 12.881 5.894 622 HE22 GLN 76 2HE2 GLN 76 6.346 14.026 6.525 623 H LYS 77 H LYS 77 5.812 8.695 3.787 624 HA LYS 77 HA LYS 77 6.977 7.272 5.936 625 HB2 LYS 77 2HB LYS 77 4.639 6.639 4.130 626 HB3 LYS 77 1HB LYS 77 5.084 5.630 5.500 627 HG2 LYS 77 2HG LYS 77 4.380 8.559 5.708 628 HG3 LYS 77 1HG LYS 77 3.244 7.235 5.975 629 HD2 LYS 77 2HD LYS 77 4.623 6.404 7.815 630 HD3 LYS 77 1HD LYS 77 5.800 7.686 7.530 631 HE2 LYS 77 2HE LYS 77 2.915 8.156 8.283 632 HE3 LYS 77 1HE LYS 77 4.248 8.131 9.431 633 HZ1 LYS 77 3HZ LYS 77 3.685 10.381 8.777 634 HZ2 LYS 77 1HZ LYS 77 3.973 10.010 7.154 635 HZ3 LYS 77 2HZ LYS 77 5.246 9.987 8.262 636 H LEU 78 H LEU 78 6.703 6.484 2.479 637 HA LEU 78 HA LEU 78 7.930 3.924 2.659 638 HB2 LEU 78 2HB LEU 78 7.614 5.806 0.317 639 HB3 LEU 78 1HB LEU 78 8.191 4.154 0.186 640 HG LEU 78 HG LEU 78 5.458 4.940 1.216 641 HD11 LEU 78 1HD1 LEU 78 6.274 3.828 -1.469 642 HD12 LEU 78 2HD1 LEU 78 5.653 5.449 -1.149 643 HD13 LEU 78 3HD1 LEU 78 4.616 4.046 -0.906 644 HD21 LEU 78 3HD2 LEU 78 4.958 2.550 1.034 645 HD22 LEU 78 1HD2 LEU 78 6.277 2.846 2.166 646 HD23 LEU 78 2HD2 LEU 78 6.623 2.235 0.549 647 H GLU 79 H GLU 79 9.210 7.174 2.199 648 HA GLU 79 HA GLU 79 11.874 6.439 1.575 649 HB2 GLU 79 2HB GLU 79 10.790 8.931 2.916 650 HB3 GLU 79 1HB GLU 79 12.448 8.749 2.357 651 HG2 GLU 79 2HG GLU 79 11.642 8.462 0.060 652 HG3 GLU 79 1HG GLU 79 9.983 8.646 0.619 653 H ALA 80 H ALA 80 10.119 6.734 4.609 654 HA ALA 80 HA ALA 80 12.396 6.317 6.310 655 HB1 ALA 80 3HB ALA 80 10.337 7.411 7.108 656 HB2 ALA 80 1HB ALA 80 10.769 6.011 8.091 657 HB3 ALA 80 2HB ALA 80 9.466 5.889 6.909 658 H GLU 81 H GLU 81 10.593 4.300 4.279 659 HA GLU 81 HA GLU 81 11.327 1.827 5.680 660 HB2 GLU 81 2HB GLU 81 9.703 2.269 3.157 661 HB3 GLU 81 1HB GLU 81 9.973 0.711 3.926 662 HG2 GLU 81 2HG GLU 81 8.675 2.985 5.388 663 HG3 GLU 81 1HG GLU 81 7.750 1.900 4.353 664 H GLY 82 H GLY 82 12.587 3.911 3.343 665 HA2 GLY 82 2HA GLY 82 14.570 3.750 2.149 666 HA3 GLY 82 1HA GLY 82 14.705 2.069 2.636 667 H ILE 83 H ILE 83 12.241 3.862 0.782 668 HA ILE 83 HA ILE 83 12.626 1.954 -1.449 669 HB ILE 83 HB ILE 83 10.065 3.300 -0.545 670 HG12 ILE 83 2HG1 ILE 83 10.887 0.379 -0.560 671 HG13 ILE 83 1HG1 ILE 83 10.770 1.403 0.866 672 HG21 ILE 83 1HG2 ILE 83 10.135 3.154 -2.982 673 HG22 ILE 83 2HG2 ILE 83 8.954 2.022 -2.325 674 HG23 ILE 83 3HG2 ILE 83 10.521 1.435 -2.882 675 HD11 ILE 83 3HD1 ILE 83 8.847 -0.047 0.684 676 HD12 ILE 83 1HD1 ILE 83 8.498 0.580 -0.927 677 HD13 ILE 83 2HD1 ILE 83 8.362 1.637 0.479 678 H GLU 84 H GLU 84 13.153 2.825 -3.394 679 HA GLU 84 HA GLU 84 13.470 5.665 -3.657 680 HB2 GLU 84 2HB GLU 84 13.769 3.484 -5.730 681 HB3 GLU 84 1HB GLU 84 14.271 5.159 -5.932 682 HG2 GLU 84 2HG GLU 84 15.357 3.206 -3.918 683 HG3 GLU 84 1HG GLU 84 16.159 3.732 -5.397 684 H VAL 85 H VAL 85 11.452 6.570 -3.498 685 HA VAL 85 HA VAL 85 9.436 5.945 -5.538 686 HB VAL 85 HB VAL 85 9.243 7.903 -3.231 687 HG11 VAL 85 1HG1 VAL 85 7.137 6.755 -5.071 688 HG12 VAL 85 2HG1 VAL 85 7.678 8.433 -4.994 689 HG13 VAL 85 3HG1 VAL 85 6.801 7.727 -3.637 690 HG21 VAL 85 3HG2 VAL 85 8.227 5.058 -3.398 691 HG22 VAL 85 1HG2 VAL 85 7.933 6.187 -2.074 692 HG23 VAL 85 2HG2 VAL 85 9.571 5.621 -2.404 693 H SER 86 H SER 86 9.383 7.088 -7.394 694 HA SER 86 HA SER 86 11.023 9.408 -7.773 695 HB2 SER 86 2HB SER 86 10.463 9.303 -10.029 696 HB3 SER 86 1HB SER 86 10.230 7.623 -9.539 697 HG SER 86 HG SER 86 8.467 9.227 -10.639 698 H GLU 87 H GLU 87 10.320 11.500 -8.369 699 HA GLU 87 HA GLU 87 8.887 12.814 -6.505 700 HB2 GLU 87 2HB GLU 87 8.748 14.703 -8.143 701 HB3 GLU 87 1HB GLU 87 10.342 13.977 -7.986 702 HG2 GLU 87 2HG GLU 87 9.922 12.673 -10.040 703 HG3 GLU 87 1HG GLU 87 8.374 13.493 -10.219 704 H ILE 88 H ILE 88 7.446 11.670 -9.584 705 HA ILE 88 HA ILE 88 4.924 12.947 -8.963 706 HB ILE 88 HB ILE 88 4.103 11.918 -11.072 707 HG12 ILE 88 2HG1 ILE 88 6.082 11.021 -12.567 708 HG13 ILE 88 1HG1 ILE 88 6.825 10.623 -11.023 709 HG21 ILE 88 1HG2 ILE 88 6.705 13.436 -11.279 710 HG22 ILE 88 2HG2 ILE 88 5.098 14.132 -11.072 711 HG23 ILE 88 3HG2 ILE 88 5.503 13.279 -12.561 712 HD11 ILE 88 3HD1 ILE 88 4.147 9.630 -11.984 713 HD12 ILE 88 1HD1 ILE 88 4.944 9.189 -10.472 714 HD13 ILE 88 2HD1 ILE 88 5.660 8.725 -12.016 715 H GLY 89 H GLY 89 6.175 10.442 -7.504 716 HA2 GLY 89 2HA GLY 89 5.126 8.960 -6.051 717 HA3 GLY 89 1HA GLY 89 3.600 9.274 -6.858 718 H LYS 90 H LYS 90 6.720 8.050 -8.118 719 HA LYS 90 HA LYS 90 5.236 5.674 -9.121 720 HB2 LYS 90 2HB LYS 90 6.049 7.262 -10.863 721 HB3 LYS 90 1HB LYS 90 7.693 6.966 -10.336 722 HG2 LYS 90 2HG LYS 90 5.947 4.722 -11.294 723 HG3 LYS 90 1HG LYS 90 6.812 5.760 -12.426 724 HD2 LYS 90 2HD LYS 90 8.923 5.186 -11.140 725 HD3 LYS 90 1HD LYS 90 7.973 3.950 -10.311 726 HE2 LYS 90 2HE LYS 90 9.128 2.915 -12.142 727 HE3 LYS 90 1HE LYS 90 7.410 2.981 -12.537 728 HZ1 LYS 90 3HZ LYS 90 7.823 4.902 -13.924 729 HZ2 LYS 90 1HZ LYS 90 8.819 3.624 -14.411 730 HZ3 LYS 90 2HZ LYS 90 9.460 4.898 -13.508 731 H ILE 91 H ILE 91 5.936 3.681 -8.616 732 HA ILE 91 HA ILE 91 8.517 3.371 -7.201 733 HB ILE 91 HB ILE 91 5.918 1.971 -6.510 734 HG12 ILE 91 2HG1 ILE 91 7.418 4.123 -4.984 735 HG13 ILE 91 1HG1 ILE 91 5.911 4.361 -5.862 736 HG21 ILE 91 1HG2 ILE 91 7.143 1.099 -4.572 737 HG22 ILE 91 2HG2 ILE 91 8.618 1.869 -5.156 738 HG23 ILE 91 3HG2 ILE 91 7.870 0.575 -6.092 739 HD11 ILE 91 3HD1 ILE 91 6.299 2.589 -3.457 740 HD12 ILE 91 1HD1 ILE 91 4.788 2.807 -4.342 741 HD13 ILE 91 2HD1 ILE 91 5.512 4.167 -3.484 742 H ALA 92 H ALA 92 9.732 1.580 -7.746 743 HA ALA 92 HA ALA 92 8.974 0.114 -10.118 744 HB1 ALA 92 3HB ALA 92 11.209 -0.868 -9.982 745 HB2 ALA 92 1HB ALA 92 11.438 -0.145 -8.389 746 HB3 ALA 92 2HB ALA 92 11.275 0.886 -9.810 747 H LEU 93 H LEU 93 7.267 -1.249 -9.604 748 HA LEU 93 HA LEU 93 6.954 -2.850 -7.364 749 HB2 LEU 93 2HB LEU 93 6.007 -3.182 -10.201 750 HB3 LEU 93 1HB LEU 93 5.616 -4.371 -8.973 751 HG LEU 93 HG LEU 93 4.843 -1.446 -8.895 752 HD11 LEU 93 1HD1 LEU 93 3.180 -3.923 -9.385 753 HD12 LEU 93 2HD1 LEU 93 3.594 -2.692 -10.579 754 HD13 LEU 93 3HD1 LEU 93 2.560 -2.280 -9.214 755 HD21 LEU 93 3HD2 LEU 93 5.226 -2.330 -6.657 756 HD22 LEU 93 1HD2 LEU 93 4.186 -3.712 -7.004 757 HD23 LEU 93 2HD2 LEU 93 3.502 -2.086 -6.935 758 H ARG 94 H ARG 94 8.472 -3.770 -10.460 759 HA ARG 94 HA ARG 94 8.854 -6.464 -9.959 760 HB2 ARG 94 2HB ARG 94 10.510 -4.561 -11.625 761 HB3 ARG 94 1HB ARG 94 10.727 -6.307 -11.649 762 HG2 ARG 94 2HG ARG 94 8.476 -6.621 -12.471 763 HG3 ARG 94 1HG ARG 94 8.153 -4.891 -12.336 764 HD2 ARG 94 2HD ARG 94 8.640 -5.572 -14.652 765 HD3 ARG 94 1HD ARG 94 9.816 -4.412 -14.034 766 HE ARG 94 HE ARG 94 10.770 -7.028 -13.614 767 HH11 ARG 94 1HH1 ARG 94 10.123 -4.847 -16.201 768 HH12 ARG 94 2HH1 ARG 94 11.423 -5.446 -17.173 769 HH21 ARG 94 1HH2 ARG 94 12.417 -7.812 -14.888 770 HH22 ARG 94 2HH2 ARG 94 12.707 -7.105 -16.442 771 H LYS 95 H LYS 95 10.500 -3.887 -8.401 772 HA LYS 95 HA LYS 95 12.478 -5.805 -7.339 773 HB2 LYS 95 2HB LYS 95 13.502 -3.867 -8.429 774 HB3 LYS 95 1HB LYS 95 12.607 -2.778 -7.376 775 HG2 LYS 95 2HG LYS 95 13.811 -3.532 -5.451 776 HG3 LYS 95 1HG LYS 95 14.572 -4.828 -6.372 777 HD2 LYS 95 2HD LYS 95 15.723 -3.129 -7.754 778 HD3 LYS 95 1HD LYS 95 15.003 -1.862 -6.756 779 HE2 LYS 95 2HE LYS 95 17.325 -2.402 -6.092 780 HE3 LYS 95 1HE LYS 95 16.162 -2.685 -4.798 781 HZ1 LYS 95 3HZ LYS 95 17.308 -4.775 -6.574 782 HZ2 LYS 95 1HZ LYS 95 16.199 -5.046 -5.329 783 HZ3 LYS 95 2HZ LYS 95 17.754 -4.492 -4.971 784 H TYR 96 H TYR 96 9.934 -3.539 -6.442 785 HA TYR 96 HA TYR 96 10.570 -3.875 -3.596 786 HB2 TYR 96 2HB TYR 96 8.821 -1.892 -5.050 787 HB3 TYR 96 1HB TYR 96 8.891 -2.003 -3.294 788 HD1 TYR 96 HD1 TYR 96 11.292 -1.862 -2.255 789 HD2 TYR 96 HD2 TYR 96 10.281 -0.440 -6.140 790 HE1 TYR 96 HE1 TYR 96 13.246 -0.375 -2.216 791 HE2 TYR 96 HE2 TYR 96 12.237 1.047 -6.109 792 HH TYR 96 HH TYR 96 14.715 0.768 -3.816 793 H LYS 97 H LYS 97 8.607 -5.492 -5.714 794 HA LYS 97 HA LYS 97 6.106 -5.528 -4.474 795 HB2 LYS 97 2HB LYS 97 7.524 -7.623 -6.102 796 HB3 LYS 97 1HB LYS 97 5.941 -7.931 -5.404 797 HG2 LYS 97 2HG LYS 97 5.229 -5.758 -6.604 798 HG3 LYS 97 1HG LYS 97 6.707 -5.977 -7.542 799 HD2 LYS 97 2HD LYS 97 4.911 -6.990 -8.759 800 HD3 LYS 97 1HD LYS 97 5.915 -8.286 -8.106 801 HE2 LYS 97 2HE LYS 97 4.325 -8.478 -6.193 802 HE3 LYS 97 1HE LYS 97 3.287 -7.296 -6.987 803 HZ1 LYS 97 3HZ LYS 97 2.515 -9.494 -7.448 804 HZ2 LYS 97 1HZ LYS 97 4.031 -9.973 -8.024 805 HZ3 LYS 97 2HZ LYS 97 3.127 -8.832 -8.878 806 H TRP 98 H TRP 98 5.207 -6.547 -2.793 807 HA TRP 98 HA TRP 98 6.778 -7.621 -0.710 808 HB2 TRP 98 2HB TRP 98 4.697 -6.617 -0.130 809 HB3 TRP 98 1HB TRP 98 3.806 -7.648 -1.243 810 HD1 TRP 98 HD1 TRP 98 6.324 -8.851 1.457 811 HE1 TRP 98 HE1 TRP 98 5.072 -10.423 3.062 812 HE3 TRP 98 HE3 TRP 98 1.612 -8.389 -0.462 813 HZ2 TRP 98 HZ2 TRP 98 2.448 -11.355 3.452 814 HZ3 TRP 98 HZ3 TRP 98 -0.218 -9.660 0.580 815 HH2 TRP 98 HH2 TRP 98 0.199 -11.115 2.514 816 H GLN 99 H GLN 99 7.942 -9.420 -1.082 817 HA GLN 99 HA GLN 99 6.515 -11.829 -2.018 818 HB2 GLN 99 2HB GLN 99 9.503 -11.323 -1.951 819 HB3 GLN 99 1HB GLN 99 8.706 -12.753 -2.598 820 HG2 GLN 99 2HG GLN 99 7.608 -11.335 -4.296 821 HG3 GLN 99 1HG GLN 99 8.495 -9.944 -3.676 822 HE21 GLN 99 1HE2 GLN 99 8.562 -11.120 -6.337 823 HE22 GLN 99 2HE2 GLN 99 10.207 -11.554 -6.623 824 HA PRO 100 HA PRO 100 7.003 -12.800 2.454 825 HB2 PRO 100 2HB PRO 100 5.063 -14.715 2.483 826 HB3 PRO 100 1HB PRO 100 4.711 -12.986 2.592 827 HG2 PRO 100 2HG PRO 100 4.620 -14.785 0.187 828 HG3 PRO 100 1HG PRO 100 3.428 -13.587 0.727 829 HD2 PRO 100 2HD PRO 100 5.192 -13.039 -1.232 830 HD3 PRO 100 1HD PRO 100 4.677 -11.798 -0.071 831 H LEU 101 H LEU 101 8.654 -13.941 0.234 832 HA LEU 101 HA LEU 101 8.885 -16.760 1.033 833 HB2 LEU 101 2HB LEU 101 10.173 -15.319 -1.294 834 HB3 LEU 101 1HB LEU 101 10.187 -17.050 -1.004 835 HG LEU 101 HG LEU 101 7.717 -15.412 -1.626 836 HD11 LEU 101 1HD1 LEU 101 7.750 -16.517 -3.801 837 HD12 LEU 101 2HD1 LEU 101 9.270 -17.311 -3.386 838 HD13 LEU 101 3HD1 LEU 101 9.207 -15.555 -3.552 839 HD21 LEU 101 3HD2 LEU 101 7.182 -17.339 -0.254 840 HD22 LEU 101 1HD2 LEU 101 8.087 -18.396 -1.339 841 HD23 LEU 101 2HD2 LEU 101 6.621 -17.596 -1.905 842 H GLU 102 H GLU 102 10.143 -13.841 1.883 843 HA GLU 102 HA GLU 102 12.895 -14.791 2.263 844 HB2 GLU 102 2HB GLU 102 13.314 -12.355 2.914 845 HB3 GLU 102 1HB GLU 102 12.910 -12.676 1.234 846 HG2 GLU 102 2HG GLU 102 10.564 -12.009 1.723 847 HG3 GLU 102 1HG GLU 102 11.067 -11.574 3.356 Start of MODEL 2 1 H1 MET 1 1H MET 1 -18.065 -3.294 13.237 2 H2 MET 1 2H MET 1 -16.857 -2.937 14.364 3 H3 MET 1 3H MET 1 -17.215 -4.547 13.994 4 HA MET 1 HA MET 1 -16.124 -2.558 12.094 5 HB2 MET 1 2HB MET 1 -14.515 -3.191 13.875 6 HB3 MET 1 1HB MET 1 -14.715 -4.880 13.435 7 HG2 MET 1 2HG MET 1 -13.803 -4.410 11.212 8 HG3 MET 1 1HG MET 1 -13.606 -2.715 11.655 9 HE1 MET 1 3HE MET 1 -11.053 -2.714 11.008 10 HE2 MET 1 1HE MET 1 -11.209 -4.388 10.477 11 HE3 MET 1 2HE MET 1 -9.898 -3.926 11.564 12 H ASP 2 H ASP 2 -16.160 -3.153 9.989 13 HA ASP 2 HA ASP 2 -17.621 -5.463 9.172 14 HB2 ASP 2 2HB ASP 2 -15.951 -3.508 7.569 15 HB3 ASP 2 1HB ASP 2 -16.997 -4.740 6.867 16 H GLN 3 H GLN 3 -16.939 -7.426 8.488 17 HA GLN 3 HA GLN 3 -14.411 -8.384 9.237 18 HB2 GLN 3 2HB GLN 3 -16.507 -9.751 8.961 19 HB3 GLN 3 1HB GLN 3 -16.270 -9.662 7.221 20 HG2 GLN 3 2HG GLN 3 -15.449 -11.771 8.035 21 HG3 GLN 3 1HG GLN 3 -14.090 -10.791 7.485 22 HE21 GLN 3 1HE2 GLN 3 -12.640 -11.967 8.760 23 HE22 GLN 3 2HE2 GLN 3 -12.566 -11.776 10.476 24 H PHE 4 H PHE 4 -15.596 -7.171 6.149 25 HA PHE 4 HA PHE 4 -13.573 -7.912 4.413 26 HB2 PHE 4 2HB PHE 4 -15.446 -6.750 3.517 27 HB3 PHE 4 1HB PHE 4 -15.210 -5.380 4.592 28 HD1 PHE 4 HD1 PHE 4 -13.661 -7.170 1.717 29 HD2 PHE 4 HD2 PHE 4 -13.976 -3.514 3.883 30 HE1 PHE 4 HE1 PHE 4 -12.370 -6.020 -0.033 31 HE2 PHE 4 HE2 PHE 4 -12.686 -2.362 2.133 32 HZ PHE 4 HZ PHE 4 -11.882 -3.616 0.170 33 H LEU 5 H LEU 5 -13.664 -5.049 6.513 34 HA LEU 5 HA LEU 5 -11.103 -4.066 5.912 35 HB2 LEU 5 2HB LEU 5 -12.710 -3.804 8.459 36 HB3 LEU 5 1HB LEU 5 -11.318 -2.821 8.039 37 HG LEU 5 HG LEU 5 -13.916 -2.893 6.486 38 HD11 LEU 5 1HD1 LEU 5 -14.234 -1.871 8.664 39 HD12 LEU 5 2HD1 LEU 5 -14.290 -0.649 7.393 40 HD13 LEU 5 3HD1 LEU 5 -12.847 -0.812 8.395 41 HD21 LEU 5 3HD2 LEU 5 -12.994 -0.924 5.328 42 HD22 LEU 5 1HD2 LEU 5 -12.020 -2.370 5.061 43 HD23 LEU 5 2HD2 LEU 5 -11.474 -1.137 6.198 44 H VAL 6 H VAL 6 -12.200 -6.266 8.495 45 HA VAL 6 HA VAL 6 -9.771 -6.624 9.831 46 HB VAL 6 HB VAL 6 -11.908 -8.728 9.393 47 HG11 VAL 6 1HG1 VAL 6 -11.097 -9.685 11.505 48 HG12 VAL 6 2HG1 VAL 6 -9.818 -8.472 11.561 49 HG13 VAL 6 3HG1 VAL 6 -9.839 -9.672 10.270 50 HG21 VAL 6 3HG2 VAL 6 -12.877 -6.677 10.296 51 HG22 VAL 6 1HG2 VAL 6 -11.671 -6.659 11.585 52 HG23 VAL 6 2HG2 VAL 6 -12.868 -7.954 11.514 53 H GLN 7 H GLN 7 -11.031 -8.256 6.944 54 HA GLN 7 HA GLN 7 -9.018 -10.242 6.760 55 HB2 GLN 7 2HB GLN 7 -10.747 -9.070 4.565 56 HB3 GLN 7 1HB GLN 7 -9.807 -10.551 4.439 57 HG2 GLN 7 2HG GLN 7 -12.121 -10.068 6.311 58 HG3 GLN 7 1HG GLN 7 -12.150 -11.038 4.841 59 HE21 GLN 7 1HE2 GLN 7 -11.006 -10.853 8.128 60 HE22 GLN 7 2HE2 GLN 7 -10.592 -12.524 8.281 61 H ILE 8 H ILE 8 -9.413 -7.251 4.817 62 HA ILE 8 HA ILE 8 -6.956 -7.499 3.473 63 HB ILE 8 HB ILE 8 -7.198 -5.101 2.890 64 HG12 ILE 8 2HG1 ILE 8 -9.654 -5.212 4.668 65 HG13 ILE 8 1HG1 ILE 8 -8.180 -4.322 5.025 66 HG21 ILE 8 1HG2 ILE 8 -8.316 -6.828 1.569 67 HG22 ILE 8 2HG2 ILE 8 -9.268 -5.344 1.606 68 HG23 ILE 8 3HG2 ILE 8 -9.736 -6.718 2.609 69 HD11 ILE 8 3HD1 ILE 8 -8.574 -2.926 3.038 70 HD12 ILE 8 1HD1 ILE 8 -9.884 -2.829 4.215 71 HD13 ILE 8 2HD1 ILE 8 -10.083 -3.796 2.754 72 H PHE 9 H PHE 9 -7.762 -5.712 6.465 73 HA PHE 9 HA PHE 9 -5.270 -4.509 6.890 74 HB2 PHE 9 2HB PHE 9 -7.358 -5.466 8.860 75 HB3 PHE 9 1HB PHE 9 -5.918 -4.583 9.352 76 HD1 PHE 9 HD1 PHE 9 -7.098 -3.460 6.177 77 HD2 PHE 9 HD2 PHE 9 -7.759 -3.097 10.373 78 HE1 PHE 9 HE1 PHE 9 -8.274 -1.336 5.806 79 HE2 PHE 9 HE2 PHE 9 -8.938 -0.971 10.002 80 HZ PHE 9 HZ PHE 9 -9.199 -0.087 7.720 81 H ALA 10 H ALA 10 -6.475 -7.660 8.057 82 HA ALA 10 HA ALA 10 -4.257 -8.480 9.511 83 HB1 ALA 10 3HB ALA 10 -6.427 -9.648 9.486 84 HB2 ALA 10 1HB ALA 10 -5.069 -10.747 9.235 85 HB3 ALA 10 2HB ALA 10 -6.068 -10.250 7.868 86 H VAL 11 H VAL 11 -4.832 -8.747 6.018 87 HA VAL 11 HA VAL 11 -2.562 -10.356 5.424 88 HB VAL 11 HB VAL 11 -4.060 -8.437 3.618 89 HG11 VAL 11 1HG1 VAL 11 -2.185 -10.704 2.915 90 HG12 VAL 11 2HG1 VAL 11 -1.873 -8.982 2.694 91 HG13 VAL 11 3HG1 VAL 11 -3.145 -9.773 1.763 92 HG21 VAL 11 3HG2 VAL 11 -5.517 -10.156 4.576 93 HG22 VAL 11 1HG2 VAL 11 -4.415 -11.416 4.019 94 HG23 VAL 11 2HG2 VAL 11 -5.280 -10.419 2.849 95 H ILE 12 H ILE 12 -3.085 -6.850 5.438 96 HA ILE 12 HA ILE 12 -0.610 -6.063 4.356 97 HB ILE 12 HB ILE 12 -2.396 -4.574 6.293 98 HG12 ILE 12 2HG1 ILE 12 -2.248 -4.384 3.271 99 HG13 ILE 12 1HG1 ILE 12 -3.459 -5.320 4.141 100 HG21 ILE 12 1HG2 ILE 12 -0.157 -3.603 6.234 101 HG22 ILE 12 2HG2 ILE 12 -1.317 -2.540 5.437 102 HG23 ILE 12 3HG2 ILE 12 -0.221 -3.530 4.473 103 HD11 ILE 12 3HD1 ILE 12 -3.071 -2.340 4.317 104 HD12 ILE 12 1HD1 ILE 12 -4.287 -3.280 5.185 105 HD13 ILE 12 2HD1 ILE 12 -4.339 -3.180 3.425 106 H HIS 13 H HIS 13 -1.510 -6.932 7.657 107 HA HIS 13 HA HIS 13 0.752 -5.897 8.988 108 HB2 HIS 13 2HB HIS 13 -1.125 -8.162 9.652 109 HB3 HIS 13 1HB HIS 13 0.228 -7.751 10.700 110 HD2 HIS 13 HD2 HIS 13 -3.359 -6.654 10.000 111 HE1 HIS 13 HE1 HIS 13 -1.604 -3.754 12.534 112 HE2 HIS 13 HE2 HIS 13 -3.723 -4.467 11.356 113 H GLN 14 H GLN 14 0.555 -8.520 6.798 114 HA GLN 14 HA GLN 14 2.909 -9.892 7.821 115 HB2 GLN 14 2HB GLN 14 0.993 -10.378 5.571 116 HB3 GLN 14 1HB GLN 14 2.574 -11.141 5.519 117 HG2 GLN 14 2HG GLN 14 0.937 -12.647 6.446 118 HG3 GLN 14 1HG GLN 14 2.137 -12.218 7.652 119 HE21 GLN 14 1HE2 GLN 14 -1.164 -11.989 6.711 120 HE22 GLN 14 2HE2 GLN 14 -1.756 -11.310 8.186 121 H ILE 15 H ILE 15 2.484 -7.128 5.990 122 HA ILE 15 HA ILE 15 4.626 -7.558 4.093 123 HB ILE 15 HB ILE 15 3.228 -4.969 4.810 124 HG12 ILE 15 2HG1 ILE 15 2.676 -6.899 2.531 125 HG13 ILE 15 1HG1 ILE 15 1.659 -6.687 3.951 126 HG21 ILE 15 1HG2 ILE 15 4.066 -4.184 2.627 127 HG22 ILE 15 2HG2 ILE 15 4.951 -5.697 2.435 128 HG23 ILE 15 3HG2 ILE 15 5.375 -4.588 3.738 129 HD11 ILE 15 3HD1 ILE 15 2.229 -4.597 1.857 130 HD12 ILE 15 1HD1 ILE 15 1.215 -4.377 3.285 131 HD13 ILE 15 2HD1 ILE 15 0.741 -5.525 2.034 132 HA PRO 16 HA PRO 16 7.734 -6.293 7.135 133 HB2 PRO 16 2HB PRO 16 9.911 -6.851 5.646 134 HB3 PRO 16 1HB PRO 16 8.939 -8.123 6.395 135 HG2 PRO 16 2HG PRO 16 8.903 -7.134 3.564 136 HG3 PRO 16 1HG PRO 16 8.868 -8.803 4.164 137 HD2 PRO 16 2HD PRO 16 6.635 -7.450 3.356 138 HD3 PRO 16 1HD PRO 16 6.605 -8.731 4.585 139 H LYS 17 H LYS 17 9.355 -4.629 7.316 140 HA LYS 17 HA LYS 17 8.758 -2.226 5.971 141 HB2 LYS 17 2HB LYS 17 9.755 -2.341 8.236 142 HB3 LYS 17 1HB LYS 17 11.257 -2.932 7.537 143 HG2 LYS 17 2HG LYS 17 11.512 -0.829 6.304 144 HG3 LYS 17 1HG LYS 17 10.007 -0.237 7.006 145 HD2 LYS 17 2HD LYS 17 11.812 0.711 8.252 146 HD3 LYS 17 1HD LYS 17 11.051 -0.512 9.270 147 HE2 LYS 17 2HE LYS 17 12.818 -2.107 8.672 148 HE3 LYS 17 1HE LYS 17 13.573 -0.883 7.648 149 HZ1 LYS 17 3HZ LYS 17 14.673 -0.976 9.767 150 HZ2 LYS 17 1HZ LYS 17 13.217 -0.727 10.593 151 HZ3 LYS 17 2HZ LYS 17 13.869 0.500 9.628 152 H GLY 18 H GLY 18 9.525 -1.315 4.124 153 HA2 GLY 18 2HA GLY 18 11.177 -0.848 2.488 154 HA3 GLY 18 1HA GLY 18 12.034 -2.306 2.953 155 H LYS 19 H LYS 19 8.849 -3.167 2.679 156 HA LYS 19 HA LYS 19 9.060 -3.734 -0.211 157 HB2 LYS 19 2HB LYS 19 8.060 -5.512 2.011 158 HB3 LYS 19 1HB LYS 19 7.581 -5.775 0.341 159 HG2 LYS 19 2HG LYS 19 10.376 -5.887 1.467 160 HG3 LYS 19 1HG LYS 19 9.403 -7.234 0.871 161 HD2 LYS 19 2HD LYS 19 9.368 -6.002 -1.370 162 HD3 LYS 19 1HD LYS 19 10.646 -4.985 -0.704 163 HE2 LYS 19 2HE LYS 19 11.720 -6.695 -1.951 164 HE3 LYS 19 1HE LYS 19 11.939 -7.107 -0.251 165 HZ1 LYS 19 3HZ LYS 19 11.315 -9.027 -1.589 166 HZ2 LYS 19 1HZ LYS 19 9.877 -8.270 -2.042 167 HZ3 LYS 19 2HZ LYS 19 10.139 -8.693 -0.426 168 H VAL 20 H VAL 20 7.183 -3.642 -1.447 169 HA VAL 20 HA VAL 20 4.804 -2.478 -0.153 170 HB VAL 20 HB VAL 20 4.383 -1.137 -2.171 171 HG11 VAL 20 1HG1 VAL 20 6.143 0.541 -1.852 172 HG12 VAL 20 2HG1 VAL 20 7.110 -0.642 -0.970 173 HG13 VAL 20 3HG1 VAL 20 5.564 -0.101 -0.315 174 HG21 VAL 20 3HG2 VAL 20 7.092 -2.096 -3.116 175 HG22 VAL 20 1HG2 VAL 20 6.095 -0.869 -3.901 176 HG23 VAL 20 2HG2 VAL 20 5.535 -2.538 -3.818 177 H SER 21 H SER 21 2.800 -3.101 -0.946 178 HA SER 21 HA SER 21 2.762 -5.225 -3.005 179 HB2 SER 21 2HB SER 21 2.279 -6.186 -0.787 180 HB3 SER 21 1HB SER 21 0.978 -5.019 -0.558 181 HG SER 21 HG SER 21 0.624 -7.323 -1.504 182 H THR 22 H THR 22 0.363 -5.467 -3.827 183 HA THR 22 HA THR 22 -0.526 -2.748 -4.570 184 HB THR 22 HB THR 22 -1.571 -3.766 -6.543 185 HG1 THR 22 HG1 THR 22 -0.300 -6.228 -6.006 186 HG21 THR 22 3HG2 THR 22 0.472 -4.442 -7.738 187 HG22 THR 22 1HG2 THR 22 1.320 -4.601 -6.200 188 HG23 THR 22 2HG2 THR 22 0.752 -3.018 -6.735 189 H TYR 23 H TYR 23 -2.703 -2.163 -4.451 190 HA TYR 23 HA TYR 23 -4.372 -3.169 -2.494 191 HB2 TYR 23 2HB TYR 23 -5.276 -1.878 -5.091 192 HB3 TYR 23 1HB TYR 23 -6.232 -2.008 -3.619 193 HD1 TYR 23 HD2 TYR 23 -4.864 -1.032 -1.457 194 HD2 TYR 23 HD1 TYR 23 -4.366 0.205 -5.501 195 HE1 TYR 23 HE2 TYR 23 -3.968 1.123 -0.686 196 HE2 TYR 23 HE1 TYR 23 -3.469 2.361 -4.737 197 HH TYR 23 HH TYR 23 -2.505 2.924 -1.545 198 H GLY 24 H GLY 24 -4.095 -4.182 -5.853 199 HA2 GLY 24 2HA GLY 24 -6.284 -5.945 -5.971 200 HA3 GLY 24 1HA GLY 24 -4.846 -6.036 -6.973 201 H GLU 25 H GLU 25 -2.856 -6.627 -5.154 202 HA GLU 25 HA GLU 25 -3.239 -9.403 -4.737 203 HB2 GLU 25 2HB GLU 25 -1.085 -7.508 -3.788 204 HB3 GLU 25 1HB GLU 25 -1.051 -9.233 -3.436 205 HG2 GLU 25 2HG GLU 25 -1.032 -9.736 -5.816 206 HG3 GLU 25 1HG GLU 25 -1.108 -8.017 -6.193 207 H ILE 26 H ILE 26 -3.091 -6.715 -2.380 208 HA ILE 26 HA ILE 26 -3.485 -8.196 -0.047 209 HB ILE 26 HB ILE 26 -4.512 -5.411 -0.668 210 HG12 ILE 26 2HG1 ILE 26 -2.073 -5.636 -0.953 211 HG13 ILE 26 1HG1 ILE 26 -2.460 -4.630 0.439 212 HG21 ILE 26 1HG2 ILE 26 -4.117 -6.780 1.998 213 HG22 ILE 26 2HG2 ILE 26 -5.658 -6.323 1.270 214 HG23 ILE 26 3HG2 ILE 26 -4.517 -5.076 1.777 215 HD11 ILE 26 3HD1 ILE 26 -2.009 -6.527 1.922 216 HD12 ILE 26 1HD1 ILE 26 -0.613 -6.113 0.929 217 HD13 ILE 26 2HD1 ILE 26 -1.598 -7.516 0.519 218 H ALA 27 H ALA 27 -5.956 -6.677 -2.135 219 HA ALA 27 HA ALA 27 -8.220 -7.645 -0.763 220 HB1 ALA 27 3HB ALA 27 -9.466 -7.075 -2.779 221 HB2 ALA 27 1HB ALA 27 -7.962 -6.947 -3.691 222 HB3 ALA 27 2HB ALA 27 -8.304 -5.809 -2.389 223 H LYS 28 H LYS 28 -6.387 -8.992 -3.489 224 HA LYS 28 HA LYS 28 -8.007 -11.205 -4.060 225 HB2 LYS 28 2HB LYS 28 -6.220 -10.438 -5.541 226 HB3 LYS 28 1HB LYS 28 -5.009 -10.877 -4.346 227 HG2 LYS 28 2HG LYS 28 -5.625 -13.236 -4.597 228 HG3 LYS 28 1HG LYS 28 -6.832 -12.789 -5.806 229 HD2 LYS 28 2HD LYS 28 -5.040 -11.852 -7.221 230 HD3 LYS 28 1HD LYS 28 -3.847 -12.344 -6.017 231 HE2 LYS 28 2HE LYS 28 -3.934 -13.950 -7.841 232 HE3 LYS 28 1HE LYS 28 -4.495 -14.688 -6.341 233 HZ1 LYS 28 3HZ LYS 28 -5.900 -15.267 -8.222 234 HZ2 LYS 28 1HZ LYS 28 -6.244 -13.636 -8.497 235 HZ3 LYS 28 2HZ LYS 28 -6.765 -14.381 -7.076 236 H MET 29 H MET 29 -5.305 -10.872 -1.784 237 HA MET 29 HA MET 29 -5.316 -13.585 -0.902 238 HB2 MET 29 2HB MET 29 -4.233 -11.093 0.440 239 HB3 MET 29 1HB MET 29 -3.892 -12.739 0.949 240 HG2 MET 29 2HG MET 29 -2.793 -13.186 -1.176 241 HG3 MET 29 1HG MET 29 -3.165 -11.552 -1.722 242 HE1 MET 29 3HE MET 29 -0.680 -10.988 -2.305 243 HE2 MET 29 1HE MET 29 -0.228 -12.640 -1.879 244 HE3 MET 29 2HE MET 29 0.678 -11.281 -1.217 245 H ALA 30 H ALA 30 -6.916 -10.643 0.191 246 HA ALA 30 HA ALA 30 -8.062 -11.737 2.560 247 HB1 ALA 30 3HB ALA 30 -9.463 -9.737 2.569 248 HB2 ALA 30 1HB ALA 30 -8.967 -9.371 0.915 249 HB3 ALA 30 2HB ALA 30 -7.783 -9.325 2.221 250 H GLY 31 H GLY 31 -9.041 -11.695 -0.809 251 HA2 GLY 31 2HA GLY 31 -10.495 -13.481 -1.595 252 HA3 GLY 31 1HA GLY 31 -11.406 -13.337 -0.102 253 H TYR 32 H TYR 32 -10.507 -10.343 -1.480 254 HA TYR 32 HA TYR 32 -13.160 -10.029 -2.745 255 HB2 TYR 32 2HB TYR 32 -11.765 -7.954 -1.035 256 HB3 TYR 32 1HB TYR 32 -13.353 -7.807 -1.774 257 HD1 TYR 32 HD2 TYR 32 -11.427 -9.428 0.917 258 HD2 TYR 32 HD1 TYR 32 -15.297 -8.813 -0.755 259 HE1 TYR 32 HE2 TYR 32 -12.449 -10.304 2.973 260 HE2 TYR 32 HE1 TYR 32 -16.326 -9.679 1.303 261 HH TYR 32 HH TYR 32 -15.558 -11.312 3.201 262 HA PRO 33 HA PRO 33 -9.433 -8.779 -5.469 263 HB2 PRO 33 2HB PRO 33 -10.557 -9.839 -7.783 264 HB3 PRO 33 1HB PRO 33 -9.406 -10.672 -6.736 265 HG2 PRO 33 2HG PRO 33 -12.391 -10.877 -6.812 266 HG3 PRO 33 1HG PRO 33 -11.183 -12.162 -6.612 267 HD2 PRO 33 2HD PRO 33 -12.552 -11.221 -4.513 268 HD3 PRO 33 1HD PRO 33 -10.835 -11.655 -4.361 269 H GLY 34 H GLY 34 -12.909 -8.647 -6.330 270 HA2 GLY 34 2HA GLY 34 -12.620 -6.404 -8.090 271 HA3 GLY 34 1HA GLY 34 -14.129 -7.043 -7.459 272 H TYR 35 H TYR 35 -12.972 -6.694 -4.664 273 HA TYR 35 HA TYR 35 -13.939 -3.975 -4.295 274 HB2 TYR 35 2HB TYR 35 -13.141 -6.112 -2.308 275 HB3 TYR 35 1HB TYR 35 -13.739 -4.521 -1.856 276 HD1 TYR 35 HD1 TYR 35 -14.663 -7.729 -3.457 277 HD2 TYR 35 HD2 TYR 35 -16.075 -4.007 -1.943 278 HE1 TYR 35 HE1 TYR 35 -16.973 -8.565 -3.562 279 HE2 TYR 35 HE2 TYR 35 -18.383 -4.836 -2.044 280 HH TYR 35 HH TYR 35 -19.676 -6.548 -3.280 281 H ALA 36 H ALA 36 -11.012 -5.060 -5.160 282 HA ALA 36 HA ALA 36 -9.103 -4.037 -3.453 283 HB1 ALA 36 3HB ALA 36 -7.667 -3.751 -5.410 284 HB2 ALA 36 1HB ALA 36 -9.073 -3.866 -6.471 285 HB3 ALA 36 2HB ALA 36 -8.575 -5.259 -5.511 286 H ARG 37 H ARG 37 -11.128 -2.280 -5.741 287 HA ARG 37 HA ARG 37 -10.056 0.274 -5.560 288 HB2 ARG 37 2HB ARG 37 -12.252 1.076 -6.241 289 HB3 ARG 37 1HB ARG 37 -11.861 -0.403 -7.107 290 HG2 ARG 37 2HG ARG 37 -13.235 -1.607 -5.303 291 HG3 ARG 37 1HG ARG 37 -13.842 -0.006 -4.881 292 HD2 ARG 37 2HD ARG 37 -15.416 -0.938 -6.384 293 HD3 ARG 37 1HD ARG 37 -14.502 0.253 -7.311 294 HE ARG 37 HE ARG 37 -13.709 -2.570 -7.430 295 HH11 ARG 37 1HH1 ARG 37 -14.970 0.228 -9.004 296 HH12 ARG 37 2HH1 ARG 37 -14.897 -0.497 -10.573 297 HH21 ARG 37 1HH2 ARG 37 -13.612 -3.476 -9.458 298 HH22 ARG 37 2HH2 ARG 37 -14.126 -2.554 -10.830 299 H HIS 38 H HIS 38 -12.353 -1.328 -3.376 300 HA HIS 38 HA HIS 38 -12.772 0.964 -1.719 301 HB2 HIS 38 2HB HIS 38 -13.384 -1.967 -1.262 302 HB3 HIS 38 1HB HIS 38 -13.884 -0.669 -0.180 303 HD2 HIS 38 HD2 HIS 38 -15.197 -2.548 -3.162 304 HE1 HIS 38 HE1 HIS 38 -17.329 1.100 -2.996 305 HE2 HIS 38 HE2 HIS 38 -17.349 -1.276 -3.856 306 H VAL 39 H VAL 39 -10.531 -1.742 -1.671 307 HA VAL 39 HA VAL 39 -9.507 -1.487 0.921 308 HB VAL 39 HB VAL 39 -7.961 -2.195 -1.589 309 HG11 VAL 39 1HG1 VAL 39 -6.444 -3.398 -0.065 310 HG12 VAL 39 2HG1 VAL 39 -7.339 -2.761 1.316 311 HG13 VAL 39 3HG1 VAL 39 -6.462 -1.662 0.252 312 HG21 VAL 39 3HG2 VAL 39 -8.435 -4.532 -0.977 313 HG22 VAL 39 1HG2 VAL 39 -9.913 -3.627 -1.310 314 HG23 VAL 39 2HG2 VAL 39 -9.448 -3.973 0.356 315 H GLY 40 H GLY 40 -8.334 0.054 -2.088 316 HA2 GLY 40 2HA GLY 40 -6.409 1.732 -0.920 317 HA3 GLY 40 1HA GLY 40 -7.222 2.035 -2.448 318 H LYS 41 H LYS 41 -9.879 2.271 -1.440 319 HA LYS 41 HA LYS 41 -9.916 4.974 -0.609 320 HB2 LYS 41 2HB LYS 41 -12.119 2.901 -0.490 321 HB3 LYS 41 1HB LYS 41 -12.346 4.633 -0.272 322 HG2 LYS 41 2HG LYS 41 -11.509 5.005 -2.567 323 HG3 LYS 41 1HG LYS 41 -11.372 3.261 -2.778 324 HD2 LYS 41 2HD LYS 41 -13.432 4.071 -3.780 325 HD3 LYS 41 1HD LYS 41 -13.797 3.038 -2.396 326 HE2 LYS 41 2HE LYS 41 -15.219 5.032 -2.421 327 HE3 LYS 41 1HE LYS 41 -14.169 5.014 -1.006 328 HZ1 LYS 41 3HZ LYS 41 -14.290 7.199 -2.053 329 HZ2 LYS 41 1HZ LYS 41 -13.655 6.565 -3.484 330 HZ3 LYS 41 2HZ LYS 41 -12.713 6.592 -2.081 331 H ALA 42 H ALA 42 -10.396 1.955 1.192 332 HA ALA 42 HA ALA 42 -11.049 3.116 3.677 333 HB1 ALA 42 3HB ALA 42 -11.495 0.770 3.145 334 HB2 ALA 42 1HB ALA 42 -10.552 0.919 4.627 335 HB3 ALA 42 2HB ALA 42 -9.762 0.440 3.123 336 H LEU 43 H LEU 43 -7.921 1.836 2.506 337 HA LEU 43 HA LEU 43 -6.383 2.468 4.750 338 HB2 LEU 43 2HB LEU 43 -5.536 2.408 1.848 339 HB3 LEU 43 1HB LEU 43 -4.437 2.400 3.215 340 HG LEU 43 HG LEU 43 -6.428 0.228 2.527 341 HD11 LEU 43 1HD1 LEU 43 -3.412 0.241 2.397 342 HD12 LEU 43 2HD1 LEU 43 -4.508 0.300 1.016 343 HD13 LEU 43 3HD1 LEU 43 -4.466 -1.131 2.045 344 HD21 LEU 43 3HD2 LEU 43 -4.423 0.387 4.782 345 HD22 LEU 43 1HD2 LEU 43 -5.369 -1.038 4.350 346 HD23 LEU 43 2HD2 LEU 43 -6.181 0.413 4.935 347 H GLY 44 H GLY 44 -7.351 4.495 2.038 348 HA2 GLY 44 2HA GLY 44 -5.634 6.686 2.519 349 HA3 GLY 44 1HA GLY 44 -7.153 6.749 1.646 350 H ASN 45 H ASN 45 -8.184 5.598 4.472 351 HA ASN 45 HA ASN 45 -8.821 8.257 5.522 352 HB2 ASN 45 2HB ASN 45 -9.907 5.514 6.209 353 HB3 ASN 45 1HB ASN 45 -10.432 7.001 6.982 354 HD21 ASN 45 1HD2 ASN 45 -10.535 5.094 4.113 355 HD22 ASN 45 2HD2 ASN 45 -11.766 5.998 3.311 356 H LEU 46 H LEU 46 -6.549 5.832 6.134 357 HA LEU 46 HA LEU 46 -6.524 5.935 8.998 358 HB2 LEU 46 2HB LEU 46 -4.493 4.883 7.025 359 HB3 LEU 46 1HB LEU 46 -4.375 4.684 8.764 360 HG LEU 46 HG LEU 46 -6.567 3.557 7.009 361 HD11 LEU 46 1HD1 LEU 46 -4.268 2.197 8.413 362 HD12 LEU 46 2HD1 LEU 46 -4.460 2.403 6.672 363 HD13 LEU 46 3HD1 LEU 46 -5.581 1.378 7.564 364 HD21 LEU 46 3HD2 LEU 46 -7.382 4.136 9.245 365 HD22 LEU 46 1HD2 LEU 46 -6.071 3.203 9.970 366 HD23 LEU 46 2HD2 LEU 46 -7.315 2.390 9.018 367 HA PRO 47 HA PRO 47 -4.117 9.604 9.618 368 HB2 PRO 47 2HB PRO 47 -3.147 9.129 12.108 369 HB3 PRO 47 1HB PRO 47 -4.848 9.503 11.799 370 HG2 PRO 47 2HG PRO 47 -3.545 6.829 12.212 371 HG3 PRO 47 1HG PRO 47 -5.045 7.461 12.920 372 HD2 PRO 47 2HD PRO 47 -5.051 5.783 10.796 373 HD3 PRO 47 1HD PRO 47 -6.272 7.055 11.000 374 H GLU 48 H GLU 48 -1.891 10.282 10.508 375 HA GLU 48 HA GLU 48 0.100 9.354 8.787 376 HB2 GLU 48 2HB GLU 48 0.002 11.604 9.816 377 HB3 GLU 48 1HB GLU 48 0.406 10.904 11.373 378 HG2 GLU 48 2HG GLU 48 2.241 10.639 9.010 379 HG3 GLU 48 1HG GLU 48 2.251 12.074 10.031 380 H GLY 49 H GLY 49 -0.361 8.669 12.256 381 HA2 GLY 49 2HA GLY 49 1.650 6.499 12.025 382 HA3 GLY 49 1HA GLY 49 1.319 7.384 13.505 383 H SER 50 H SER 50 -0.675 5.641 11.099 384 HA SER 50 HA SER 50 -2.546 4.714 13.019 385 HB2 SER 50 2HB SER 50 -3.198 4.898 10.685 386 HB3 SER 50 1HB SER 50 -1.979 3.715 10.214 387 HG SER 50 HG SER 50 -4.491 3.327 11.233 388 H LYS 51 H LYS 51 -2.999 2.498 13.621 389 HA LYS 51 HA LYS 51 -0.706 1.014 14.460 390 HB2 LYS 51 2HB LYS 51 -2.315 -0.603 15.341 391 HB3 LYS 51 1HB LYS 51 -2.798 1.038 15.751 392 HG2 LYS 51 2HG LYS 51 -4.360 0.943 13.754 393 HG3 LYS 51 1HG LYS 51 -4.003 -0.784 13.672 394 HD2 LYS 51 2HD LYS 51 -5.213 0.682 16.029 395 HD3 LYS 51 1HD LYS 51 -6.075 -0.369 14.906 396 HE2 LYS 51 2HE LYS 51 -3.797 -1.265 16.677 397 HE3 LYS 51 1HE LYS 51 -5.502 -1.451 17.078 398 HZ1 LYS 51 3HZ LYS 51 -5.792 -2.876 15.185 399 HZ2 LYS 51 1HZ LYS 51 -4.510 -3.462 16.118 400 HZ3 LYS 51 2HZ LYS 51 -4.195 -2.631 14.682 401 H LEU 52 H LEU 52 -2.361 1.169 11.539 402 HA LEU 52 HA LEU 52 -1.250 -1.415 10.624 403 HB2 LEU 52 2HB LEU 52 -3.695 -1.329 10.482 404 HB3 LEU 52 1HB LEU 52 -3.606 0.167 9.572 405 HG LEU 52 HG LEU 52 -2.366 -1.127 7.775 406 HD11 LEU 52 1HD1 LEU 52 -2.646 -3.554 7.753 407 HD12 LEU 52 2HD1 LEU 52 -3.355 -3.492 9.366 408 HD13 LEU 52 3HD1 LEU 52 -1.671 -3.027 9.124 409 HD21 LEU 52 3HD2 LEU 52 -4.701 -0.492 7.528 410 HD22 LEU 52 1HD2 LEU 52 -5.206 -1.936 8.406 411 HD23 LEU 52 2HD2 LEU 52 -4.415 -2.087 6.836 412 HA PRO 53 HA PRO 53 1.295 1.342 8.076 413 HB2 PRO 53 2HB PRO 53 2.723 -0.580 6.788 414 HB3 PRO 53 1HB PRO 53 3.064 -0.092 8.453 415 HG2 PRO 53 2HG PRO 53 1.528 -2.466 7.451 416 HG3 PRO 53 1HG PRO 53 2.719 -2.378 8.763 417 HD2 PRO 53 2HD PRO 53 0.030 -2.399 9.201 418 HD3 PRO 53 1HD PRO 53 1.174 -1.573 10.277 419 H TRP 54 H TRP 54 -0.364 2.147 6.760 420 HA TRP 54 HA TRP 54 -1.510 0.548 4.639 421 HB2 TRP 54 2HB TRP 54 -2.744 2.658 4.090 422 HB3 TRP 54 1HB TRP 54 -2.956 2.114 5.746 423 HD1 TRP 54 HD1 TRP 54 -1.939 3.659 7.694 424 HE1 TRP 54 HE1 TRP 54 -1.173 6.117 7.718 425 HE3 TRP 54 HE3 TRP 54 -1.593 4.454 2.650 426 HZ2 TRP 54 HZ2 TRP 54 -0.495 8.126 5.844 427 HZ3 TRP 54 HZ3 TRP 54 -0.878 6.666 1.852 428 HH2 TRP 54 HH2 TRP 54 -0.344 8.462 3.414 429 H PHE 55 H PHE 55 0.945 2.993 4.935 430 HA PHE 55 HA PHE 55 1.129 3.911 2.325 431 HB2 PHE 55 2HB PHE 55 3.558 4.414 2.956 432 HB3 PHE 55 1HB PHE 55 2.298 5.126 3.954 433 HD1 PHE 55 HD1 PHE 55 5.000 2.652 3.829 434 HD2 PHE 55 HD2 PHE 55 1.950 4.398 6.240 435 HE1 PHE 55 HE1 PHE 55 6.032 1.680 5.840 436 HE2 PHE 55 HE2 PHE 55 2.978 3.425 8.250 437 HZ PHE 55 HZ PHE 55 5.025 2.064 8.052 438 H ARG 56 H ARG 56 2.177 0.832 3.571 439 HA ARG 56 HA ARG 56 4.087 0.313 1.474 440 HB2 ARG 56 2HB ARG 56 2.822 -1.533 3.509 441 HB3 ARG 56 1HB ARG 56 4.094 -2.010 2.391 442 HG2 ARG 56 2HG ARG 56 5.578 -0.309 3.399 443 HG3 ARG 56 1HG ARG 56 4.299 0.085 4.550 444 HD2 ARG 56 2HD ARG 56 4.348 -2.274 5.336 445 HD3 ARG 56 1HD ARG 56 5.715 -2.568 4.259 446 HE ARG 56 HE ARG 56 6.657 -0.539 5.672 447 HH11 ARG 56 1HH1 ARG 56 5.044 -3.407 6.724 448 HH12 ARG 56 2HH1 ARG 56 5.779 -3.369 8.286 449 HH21 ARG 56 1HH2 ARG 56 7.565 -0.496 7.657 450 HH22 ARG 56 2HH2 ARG 56 7.172 -1.711 8.825 451 H VAL 57 H VAL 57 0.826 0.558 1.255 452 HA VAL 57 HA VAL 57 0.645 -1.605 -0.754 453 HB VAL 57 HB VAL 57 -1.702 -0.308 0.643 454 HG11 VAL 57 1HG1 VAL 57 -1.488 -2.835 -1.000 455 HG12 VAL 57 2HG1 VAL 57 -2.214 -1.315 -1.525 456 HG13 VAL 57 3HG1 VAL 57 -2.948 -2.235 -0.212 457 HG21 VAL 57 3HG2 VAL 57 -0.349 -1.467 2.311 458 HG22 VAL 57 1HG2 VAL 57 -0.333 -2.920 1.311 459 HG23 VAL 57 2HG2 VAL 57 -1.847 -2.348 2.012 460 H ILE 58 H ILE 58 1.006 -0.749 -2.700 461 HA ILE 58 HA ILE 58 -0.256 1.823 -3.409 462 HB ILE 58 HB ILE 58 1.376 1.965 -5.254 463 HG12 ILE 58 2HG1 ILE 58 2.610 -0.512 -4.008 464 HG13 ILE 58 1HG1 ILE 58 1.781 -0.457 -5.562 465 HG21 ILE 58 1HG2 ILE 58 3.352 2.451 -3.875 466 HG22 ILE 58 2HG2 ILE 58 2.617 1.580 -2.529 467 HG23 ILE 58 3HG2 ILE 58 1.868 3.056 -3.137 468 HD11 ILE 58 3HD1 ILE 58 4.184 -0.466 -5.852 469 HD12 ILE 58 1HD1 ILE 58 4.334 0.983 -4.860 470 HD13 ILE 58 2HD1 ILE 58 3.505 1.058 -6.415 471 H ASN 59 H ASN 59 -0.200 1.646 -6.189 472 HA ASN 59 HA ASN 59 -2.446 -0.200 -6.545 473 HB2 ASN 59 2HB ASN 59 -2.952 1.116 -8.574 474 HB3 ASN 59 1HB ASN 59 -2.880 2.104 -7.122 475 HD21 ASN 59 1HD2 ASN 59 -2.418 4.002 -8.115 476 HD22 ASN 59 2HD2 ASN 59 -0.946 4.313 -8.965 477 H SER 60 H SER 60 -2.716 -1.061 -8.867 478 HA SER 60 HA SER 60 -0.568 -2.894 -9.351 479 HB2 SER 60 2HB SER 60 -2.900 -3.568 -9.685 480 HB3 SER 60 1HB SER 60 -3.089 -2.359 -10.952 481 HG SER 60 HG SER 60 -1.094 -3.683 -11.808 482 H GLN 61 H GLN 61 -1.000 0.273 -10.309 483 HA GLN 61 HA GLN 61 0.134 0.062 -12.971 484 HB2 GLN 61 2HB GLN 61 -0.333 2.555 -11.321 485 HB3 GLN 61 1HB GLN 61 -0.111 2.460 -13.063 486 HG2 GLN 61 2HG GLN 61 -2.235 1.280 -13.282 487 HG3 GLN 61 1HG GLN 61 -2.450 1.327 -11.532 488 HE21 GLN 61 1HE2 GLN 61 -2.486 3.184 -14.470 489 HE22 GLN 61 2HE2 GLN 61 -3.267 4.577 -13.812 490 H GLY 62 H GLY 62 1.436 -0.067 -9.906 491 HA2 GLY 62 2HA GLY 62 3.626 0.063 -9.156 492 HA3 GLY 62 1HA GLY 62 4.118 0.507 -10.785 493 H LYS 63 H LYS 63 1.677 2.195 -8.918 494 HA LYS 63 HA LYS 63 3.486 4.467 -8.489 495 HB2 LYS 63 2HB LYS 63 0.844 4.589 -9.963 496 HB3 LYS 63 1HB LYS 63 1.698 6.005 -9.367 497 HG2 LYS 63 2HG LYS 63 3.608 5.441 -10.818 498 HG3 LYS 63 1HG LYS 63 2.709 4.057 -11.437 499 HD2 LYS 63 2HD LYS 63 2.493 5.844 -13.021 500 HD3 LYS 63 1HD LYS 63 0.937 5.646 -12.219 501 HE2 LYS 63 2HE LYS 63 2.983 7.700 -11.380 502 HE3 LYS 63 1HE LYS 63 1.715 8.027 -12.558 503 HZ1 LYS 63 3HZ LYS 63 1.338 7.285 -9.708 504 HZ2 LYS 63 1HZ LYS 63 0.078 7.433 -10.827 505 HZ3 LYS 63 2HZ LYS 63 1.011 8.781 -10.419 506 H ILE 64 H ILE 64 2.345 6.235 -7.245 507 HA ILE 64 HA ILE 64 0.858 5.143 -4.997 508 HB ILE 64 HB ILE 64 1.842 7.952 -5.574 509 HG12 ILE 64 2HG1 ILE 64 2.888 5.827 -3.676 510 HG13 ILE 64 1HG1 ILE 64 3.638 6.300 -5.196 511 HG21 ILE 64 1HG2 ILE 64 0.632 6.851 -3.036 512 HG22 ILE 64 2HG2 ILE 64 -0.131 8.007 -4.127 513 HG23 ILE 64 3HG2 ILE 64 1.323 8.462 -3.237 514 HD11 ILE 64 3HD1 ILE 64 4.038 8.534 -4.309 515 HD12 ILE 64 1HD1 ILE 64 4.777 7.290 -3.300 516 HD13 ILE 64 2HD1 ILE 64 3.280 8.066 -2.786 517 H SER 65 H SER 65 -1.312 4.965 -5.105 518 HA SER 65 HA SER 65 -2.882 6.288 -7.088 519 HB2 SER 65 2HB SER 65 -3.679 4.639 -4.681 520 HB3 SER 65 1HB SER 65 -4.844 5.301 -5.828 521 HG SER 65 HG SER 65 -4.375 3.267 -6.520 522 H LEU 66 H LEU 66 -2.175 6.961 -3.732 523 HA LEU 66 HA LEU 66 -4.302 8.828 -3.345 524 HB2 LEU 66 2HB LEU 66 -1.723 8.436 -1.820 525 HB3 LEU 66 1HB LEU 66 -3.054 9.449 -1.294 526 HG LEU 66 HG LEU 66 -3.106 6.441 -1.610 527 HD11 LEU 66 1HD1 LEU 66 -1.902 7.204 0.367 528 HD12 LEU 66 2HD1 LEU 66 -3.420 6.423 0.807 529 HD13 LEU 66 3HD1 LEU 66 -3.292 8.182 0.847 530 HD21 LEU 66 3HD2 LEU 66 -5.379 6.539 -0.723 531 HD22 LEU 66 1HD2 LEU 66 -5.263 7.409 -2.250 532 HD23 LEU 66 2HD2 LEU 66 -5.319 8.302 -0.729 533 H LYS 67 H LYS 67 -4.441 10.829 -4.115 534 HA LYS 67 HA LYS 67 -1.954 12.280 -4.774 535 HB2 LYS 67 2HB LYS 67 -3.272 13.532 -6.447 536 HB3 LYS 67 1HB LYS 67 -3.221 11.807 -6.774 537 HG2 LYS 67 2HG LYS 67 -5.488 11.641 -5.674 538 HG3 LYS 67 1HG LYS 67 -5.523 13.404 -5.667 539 HD2 LYS 67 2HD LYS 67 -6.723 12.566 -7.601 540 HD3 LYS 67 1HD LYS 67 -5.255 13.391 -8.130 541 HE2 LYS 67 2HE LYS 67 -5.557 11.330 -9.384 542 HE3 LYS 67 1HE LYS 67 -4.133 11.206 -8.354 543 HZ1 LYS 67 3HZ LYS 67 -6.807 10.072 -7.727 544 HZ2 LYS 67 1HZ LYS 67 -5.421 9.915 -6.771 545 HZ3 LYS 67 2HZ LYS 67 -5.486 9.188 -8.299 546 H GLY 68 H GLY 68 -2.113 14.684 -4.591 547 HA2 GLY 68 2HA GLY 68 -2.772 16.588 -3.360 548 HA3 GLY 68 1HA GLY 68 -3.897 15.591 -2.447 549 H ARG 69 H ARG 69 -3.217 16.134 -0.363 550 HA ARG 69 HA ARG 69 -0.450 16.135 0.391 551 HB2 ARG 69 2HB ARG 69 -2.908 15.961 2.156 552 HB3 ARG 69 1HB ARG 69 -1.274 16.318 2.703 553 HG2 ARG 69 2HG ARG 69 -1.301 18.355 1.278 554 HG3 ARG 69 1HG ARG 69 -2.991 18.017 0.900 555 HD2 ARG 69 2HD ARG 69 -3.519 18.135 3.320 556 HD3 ARG 69 1HD ARG 69 -1.837 18.554 3.644 557 HE ARG 69 HE ARG 69 -3.754 20.231 2.164 558 HH11 ARG 69 1HH1 ARG 69 -0.852 19.890 3.994 559 HH12 ARG 69 2HH1 ARG 69 -0.617 21.597 4.130 560 HH21 ARG 69 1HH2 ARG 69 -3.423 22.415 2.335 561 HH22 ARG 69 2HH2 ARG 69 -2.039 23.009 3.189 562 H ASP 70 H ASP 70 -2.884 13.706 0.104 563 HA ASP 70 HA ASP 70 -1.776 11.742 1.824 564 HB2 ASP 70 2HB ASP 70 -3.522 11.404 -0.627 565 HB3 ASP 70 1HB ASP 70 -3.215 10.162 0.583 566 H LEU 71 H LEU 71 -0.902 12.826 -1.346 567 HA LEU 71 HA LEU 71 0.454 10.501 -2.255 568 HB2 LEU 71 2HB LEU 71 -0.312 12.573 -3.589 569 HB3 LEU 71 1HB LEU 71 1.163 13.334 -3.032 570 HG LEU 71 HG LEU 71 1.136 10.759 -4.625 571 HD11 LEU 71 1HD1 LEU 71 1.475 13.587 -5.628 572 HD12 LEU 71 2HD1 LEU 71 0.110 12.519 -5.954 573 HD13 LEU 71 3HD1 LEU 71 1.709 12.119 -6.580 574 HD21 LEU 71 3HD2 LEU 71 3.482 11.329 -5.087 575 HD22 LEU 71 1HD2 LEU 71 3.188 11.128 -3.362 576 HD23 LEU 71 2HD2 LEU 71 3.339 12.746 -4.045 577 H ASP 72 H ASP 72 1.736 13.547 -0.863 578 HA ASP 72 HA ASP 72 4.375 12.574 -0.579 579 HB2 ASP 72 2HB ASP 72 4.527 14.558 1.121 580 HB3 ASP 72 1HB ASP 72 4.311 14.882 -0.594 581 H ARG 73 H ARG 73 1.573 12.356 1.532 582 HA ARG 73 HA ARG 73 2.793 11.470 3.887 583 HB2 ARG 73 2HB ARG 73 0.151 10.751 2.610 584 HB3 ARG 73 1HB ARG 73 0.642 10.069 4.154 585 HG2 ARG 73 2HG ARG 73 0.739 12.274 5.144 586 HG3 ARG 73 1HG ARG 73 0.359 13.018 3.589 587 HD2 ARG 73 2HD ARG 73 -1.828 11.939 3.586 588 HD3 ARG 73 1HD ARG 73 -1.444 11.109 5.093 589 HE ARG 73 HE ARG 73 -1.157 13.694 5.768 590 HH11 ARG 73 1HH1 ARG 73 -3.695 12.037 4.113 591 HH12 ARG 73 2HH1 ARG 73 -4.930 13.051 4.767 592 HH21 ARG 73 1HH2 ARG 73 -2.760 14.995 6.592 593 HH22 ARG 73 2HH2 ARG 73 -4.406 14.714 6.142 594 H GLN 74 H GLN 74 1.448 9.369 1.314 595 HA GLN 74 HA GLN 74 2.590 6.988 2.318 596 HB2 GLN 74 2HB GLN 74 0.656 6.955 0.838 597 HB3 GLN 74 1HB GLN 74 1.603 7.654 -0.468 598 HG2 GLN 74 2HG GLN 74 2.879 5.672 -0.728 599 HG3 GLN 74 1HG GLN 74 2.263 4.995 0.779 600 HE21 GLN 74 1HE2 GLN 74 1.552 3.136 -0.276 601 HE22 GLN 74 2HE2 GLN 74 0.147 3.128 -1.277 602 H LYS 75 H LYS 75 3.720 9.272 -0.148 603 HA LYS 75 HA LYS 75 5.898 7.831 -1.134 604 HB2 LYS 75 2HB LYS 75 5.146 9.833 -2.245 605 HB3 LYS 75 1HB LYS 75 5.516 10.815 -0.835 606 HG2 LYS 75 2HG LYS 75 7.883 10.449 -1.138 607 HG3 LYS 75 1HG LYS 75 7.572 9.329 -2.466 608 HD2 LYS 75 2HD LYS 75 6.672 11.114 -3.823 609 HD3 LYS 75 1HD LYS 75 6.789 12.250 -2.476 610 HE2 LYS 75 2HE LYS 75 9.153 10.843 -3.720 611 HE3 LYS 75 1HE LYS 75 8.622 12.465 -4.165 612 HZ1 LYS 75 3HZ LYS 75 9.038 13.200 -1.927 613 HZ2 LYS 75 1HZ LYS 75 10.434 12.473 -2.540 614 HZ3 LYS 75 2HZ LYS 75 9.462 11.639 -1.441 615 H GLN 76 H GLN 76 6.037 10.416 1.351 616 HA GLN 76 HA GLN 76 8.759 10.129 1.920 617 HB2 GLN 76 2HB GLN 76 6.515 11.153 3.671 618 HB3 GLN 76 1HB GLN 76 8.220 11.301 4.078 619 HG2 GLN 76 2HG GLN 76 6.935 12.447 1.607 620 HG3 GLN 76 1HG GLN 76 7.254 13.350 3.088 621 HE21 GLN 76 1HE2 GLN 76 8.264 13.885 0.442 622 HE22 GLN 76 2HE2 GLN 76 9.986 13.790 0.534 623 H LYS 77 H LYS 77 5.960 8.523 3.388 624 HA LYS 77 HA LYS 77 7.197 7.188 5.495 625 HB2 LYS 77 2HB LYS 77 4.889 6.437 3.709 626 HB3 LYS 77 1HB LYS 77 5.414 5.380 5.012 627 HG2 LYS 77 2HG LYS 77 4.606 8.251 5.442 628 HG3 LYS 77 1HG LYS 77 3.484 6.892 5.539 629 HD2 LYS 77 2HD LYS 77 4.945 5.884 7.293 630 HD3 LYS 77 1HD LYS 77 5.934 7.347 7.251 631 HE2 LYS 77 2HE LYS 77 4.049 8.689 7.957 632 HE3 LYS 77 1HE LYS 77 2.982 7.286 7.883 633 HZ1 LYS 77 3HZ LYS 77 4.168 6.280 9.683 634 HZ2 LYS 77 1HZ LYS 77 3.726 7.846 10.145 635 HZ3 LYS 77 2HZ LYS 77 5.319 7.515 9.697 636 H LEU 78 H LEU 78 6.855 6.131 2.111 637 HA LEU 78 HA LEU 78 8.156 3.622 2.528 638 HB2 LEU 78 2HB LEU 78 7.584 5.156 -0.010 639 HB3 LEU 78 1HB LEU 78 8.174 3.503 0.038 640 HG LEU 78 HG LEU 78 5.523 4.452 1.152 641 HD11 LEU 78 1HD1 LEU 78 6.134 2.816 -1.311 642 HD12 LEU 78 2HD1 LEU 78 5.546 4.479 -1.284 643 HD13 LEU 78 3HD1 LEU 78 4.526 3.174 -0.680 644 HD21 LEU 78 3HD2 LEU 78 5.042 2.064 1.462 645 HD22 LEU 78 1HD2 LEU 78 6.417 2.584 2.434 646 HD23 LEU 78 2HD2 LEU 78 6.682 1.668 0.949 647 H GLU 79 H GLU 79 9.240 6.757 1.271 648 HA GLU 79 HA GLU 79 11.865 6.001 0.593 649 HB2 GLU 79 2HB GLU 79 10.933 8.696 1.611 650 HB3 GLU 79 1HB GLU 79 12.406 8.379 0.701 651 HG2 GLU 79 2HG GLU 79 11.026 7.627 -1.208 652 HG3 GLU 79 1HG GLU 79 9.579 8.051 -0.297 653 H ALA 80 H ALA 80 10.429 6.971 3.663 654 HA ALA 80 HA ALA 80 12.770 7.179 5.201 655 HB1 ALA 80 3HB ALA 80 10.582 7.947 5.983 656 HB2 ALA 80 1HB ALA 80 11.323 6.843 7.141 657 HB3 ALA 80 2HB ALA 80 10.027 6.276 6.087 658 H GLU 81 H GLU 81 10.917 4.359 4.177 659 HA GLU 81 HA GLU 81 12.406 2.532 5.849 660 HB2 GLU 81 2HB GLU 81 10.574 1.903 3.522 661 HB3 GLU 81 1HB GLU 81 11.144 0.769 4.741 662 HG2 GLU 81 2HG GLU 81 9.983 2.268 6.447 663 HG3 GLU 81 1HG GLU 81 9.197 3.036 5.069 664 H GLY 82 H GLY 82 13.091 4.109 2.962 665 HA2 GLY 82 2HA GLY 82 15.207 3.930 1.894 666 HA3 GLY 82 1HA GLY 82 15.308 2.255 2.408 667 H ILE 83 H ILE 83 12.409 3.520 0.915 668 HA ILE 83 HA ILE 83 12.835 1.728 -1.371 669 HB ILE 83 HB ILE 83 10.326 3.125 -0.412 670 HG12 ILE 83 2HG1 ILE 83 11.170 0.212 -0.259 671 HG13 ILE 83 1HG1 ILE 83 11.121 1.336 1.095 672 HG21 ILE 83 1HG2 ILE 83 10.675 1.101 -2.628 673 HG22 ILE 83 2HG2 ILE 83 10.261 2.802 -2.828 674 HG23 ILE 83 3HG2 ILE 83 9.131 1.710 -2.030 675 HD11 ILE 83 3HD1 ILE 83 9.204 -0.152 1.097 676 HD12 ILE 83 1HD1 ILE 83 8.747 0.409 -0.510 677 HD13 ILE 83 2HD1 ILE 83 8.702 1.521 0.858 678 H GLU 84 H GLU 84 13.261 2.468 -3.368 679 HA GLU 84 HA GLU 84 13.561 5.215 -3.999 680 HB2 GLU 84 2HB GLU 84 13.307 2.826 -5.847 681 HB3 GLU 84 1HB GLU 84 13.841 4.427 -6.336 682 HG2 GLU 84 2HG GLU 84 15.801 4.240 -4.914 683 HG3 GLU 84 1HG GLU 84 15.252 2.669 -4.335 684 H VAL 85 H VAL 85 11.994 6.662 -4.353 685 HA VAL 85 HA VAL 85 9.538 5.807 -5.760 686 HB VAL 85 HB VAL 85 9.636 7.846 -3.514 687 HG11 VAL 85 1HG1 VAL 85 7.940 8.358 -5.200 688 HG12 VAL 85 2HG1 VAL 85 7.189 7.840 -3.691 689 HG13 VAL 85 3HG1 VAL 85 7.286 6.727 -5.056 690 HG21 VAL 85 3HG2 VAL 85 8.501 5.042 -3.522 691 HG22 VAL 85 1HG2 VAL 85 8.340 6.215 -2.210 692 HG23 VAL 85 2HG2 VAL 85 9.929 5.584 -2.642 693 H SER 86 H SER 86 9.711 6.704 -7.738 694 HA SER 86 HA SER 86 11.123 9.051 -8.390 695 HB2 SER 86 2HB SER 86 8.804 7.806 -9.886 696 HB3 SER 86 1HB SER 86 9.959 8.955 -10.552 697 HG SER 86 HG SER 86 11.468 7.437 -10.628 698 H GLU 87 H GLU 87 10.395 11.146 -8.954 699 HA GLU 87 HA GLU 87 9.087 12.444 -6.955 700 HB2 GLU 87 2HB GLU 87 9.005 14.409 -8.400 701 HB3 GLU 87 1HB GLU 87 10.530 13.553 -8.578 702 HG2 GLU 87 2HG GLU 87 9.735 12.552 -10.661 703 HG3 GLU 87 1HG GLU 87 8.195 13.387 -10.479 704 H ILE 88 H ILE 88 7.527 11.420 -10.010 705 HA ILE 88 HA ILE 88 5.025 12.654 -9.245 706 HB ILE 88 HB ILE 88 4.126 11.613 -11.342 707 HG12 ILE 88 2HG1 ILE 88 6.022 10.844 -12.958 708 HG13 ILE 88 1HG1 ILE 88 6.943 10.527 -11.496 709 HG21 ILE 88 1HG2 ILE 88 6.628 13.288 -11.602 710 HG22 ILE 88 2HG2 ILE 88 4.988 13.879 -11.333 711 HG23 ILE 88 3HG2 ILE 88 5.400 13.085 -12.852 712 HD11 ILE 88 3HD1 ILE 88 5.252 8.938 -10.766 713 HD12 ILE 88 1HD1 ILE 88 5.877 8.520 -12.361 714 HD13 ILE 88 2HD1 ILE 88 4.294 9.284 -12.208 715 H GLY 89 H GLY 89 6.295 10.229 -7.777 716 HA2 GLY 89 2HA GLY 89 5.341 8.662 -6.367 717 HA3 GLY 89 1HA GLY 89 3.778 9.016 -7.083 718 H LYS 90 H LYS 90 6.882 7.640 -8.236 719 HA LYS 90 HA LYS 90 5.349 5.326 -9.295 720 HB2 LYS 90 2HB LYS 90 5.982 6.764 -11.149 721 HB3 LYS 90 1HB LYS 90 7.651 6.780 -10.613 722 HG2 LYS 90 2HG LYS 90 7.870 4.412 -11.127 723 HG3 LYS 90 1HG LYS 90 6.171 4.352 -11.613 724 HD2 LYS 90 2HD LYS 90 6.610 5.926 -13.426 725 HD3 LYS 90 1HD LYS 90 8.290 6.087 -12.909 726 HE2 LYS 90 2HE LYS 90 7.009 3.527 -13.874 727 HE3 LYS 90 1HE LYS 90 8.013 4.589 -14.860 728 HZ1 LYS 90 3HZ LYS 90 8.870 3.122 -12.425 729 HZ2 LYS 90 1HZ LYS 90 9.843 4.200 -13.295 730 HZ3 LYS 90 2HZ LYS 90 9.309 2.770 -14.019 731 H ILE 91 H ILE 91 6.051 3.367 -8.673 732 HA ILE 91 HA ILE 91 8.705 3.137 -7.381 733 HB ILE 91 HB ILE 91 6.139 1.826 -6.433 734 HG12 ILE 91 2HG1 ILE 91 7.688 4.117 -5.185 735 HG13 ILE 91 1HG1 ILE 91 6.177 4.291 -6.070 736 HG21 ILE 91 1HG2 ILE 91 8.125 0.488 -5.944 737 HG22 ILE 91 2HG2 ILE 91 7.456 1.171 -4.463 738 HG23 ILE 91 3HG2 ILE 91 8.896 1.884 -5.190 739 HD11 ILE 91 3HD1 ILE 91 5.043 2.924 -4.388 740 HD12 ILE 91 1HD1 ILE 91 5.794 4.358 -3.687 741 HD13 ILE 91 2HD1 ILE 91 6.558 2.781 -3.495 742 H ALA 92 H ALA 92 9.691 1.038 -7.468 743 HA ALA 92 HA ALA 92 9.048 -0.430 -9.885 744 HB1 ALA 92 3HB ALA 92 11.149 -1.592 -9.511 745 HB2 ALA 92 1HB ALA 92 11.288 -0.872 -7.908 746 HB3 ALA 92 2HB ALA 92 11.374 0.150 -9.344 747 H LEU 93 H LEU 93 7.269 -1.721 -9.621 748 HA LEU 93 HA LEU 93 6.730 -3.254 -7.283 749 HB2 LEU 93 2HB LEU 93 5.563 -3.195 -10.043 750 HB3 LEU 93 1HB LEU 93 5.099 -4.459 -8.919 751 HG LEU 93 HG LEU 93 4.727 -1.487 -8.492 752 HD11 LEU 93 1HD1 LEU 93 2.705 -3.681 -8.969 753 HD12 LEU 93 2HD1 LEU 93 3.196 -2.464 -10.146 754 HD13 LEU 93 3HD1 LEU 93 2.352 -1.977 -8.677 755 HD21 LEU 93 3HD2 LEU 93 3.983 -3.835 -6.737 756 HD22 LEU 93 1HD2 LEU 93 3.493 -2.161 -6.465 757 HD23 LEU 93 2HD2 LEU 93 5.197 -2.605 -6.385 758 H ARG 94 H ARG 94 9.071 -3.812 -9.595 759 HA ARG 94 HA ARG 94 8.956 -6.721 -9.248 760 HB2 ARG 94 2HB ARG 94 10.600 -4.939 -11.031 761 HB3 ARG 94 1HB ARG 94 11.068 -6.611 -10.746 762 HG2 ARG 94 2HG ARG 94 8.881 -7.355 -11.594 763 HG3 ARG 94 1HG ARG 94 8.449 -5.675 -11.918 764 HD2 ARG 94 2HD ARG 94 9.281 -6.976 -13.908 765 HD3 ARG 94 1HD ARG 94 10.139 -5.471 -13.578 766 HE ARG 94 HE ARG 94 12.001 -6.708 -12.859 767 HH11 ARG 94 1HH1 ARG 94 9.439 -8.792 -13.887 768 HH12 ARG 94 2HH1 ARG 94 10.500 -10.144 -14.094 769 HH21 ARG 94 1HH2 ARG 94 13.319 -8.448 -13.128 770 HH22 ARG 94 2HH2 ARG 94 12.662 -9.954 -13.672 771 H LYS 95 H LYS 95 11.068 -3.972 -8.480 772 HA LYS 95 HA LYS 95 13.000 -5.584 -7.099 773 HB2 LYS 95 2HB LYS 95 13.638 -3.461 -8.151 774 HB3 LYS 95 1HB LYS 95 12.565 -2.587 -7.063 775 HG2 LYS 95 2HG LYS 95 13.927 -3.323 -5.148 776 HG3 LYS 95 1HG LYS 95 15.013 -4.160 -6.256 777 HD2 LYS 95 2HD LYS 95 14.471 -1.184 -6.229 778 HD3 LYS 95 1HD LYS 95 15.901 -1.971 -5.562 779 HE2 LYS 95 2HE LYS 95 16.416 -2.839 -7.841 780 HE3 LYS 95 1HE LYS 95 15.055 -1.905 -8.463 781 HZ1 LYS 95 3HZ LYS 95 17.433 -0.779 -7.086 782 HZ2 LYS 95 1HZ LYS 95 16.135 0.114 -7.699 783 HZ3 LYS 95 2HZ LYS 95 17.148 -0.736 -8.751 784 H TYR 96 H TYR 96 10.149 -3.731 -6.118 785 HA TYR 96 HA TYR 96 10.842 -4.197 -3.280 786 HB2 TYR 96 2HB TYR 96 9.164 -2.027 -4.557 787 HB3 TYR 96 1HB TYR 96 9.272 -2.284 -2.817 788 HD1 TYR 96 HD1 TYR 96 11.587 -2.152 -1.738 789 HD2 TYR 96 HD2 TYR 96 10.768 -0.695 -5.656 790 HE1 TYR 96 HE1 TYR 96 13.596 -0.744 -1.630 791 HE2 TYR 96 HE2 TYR 96 12.776 0.720 -5.553 792 HH TYR 96 HH TYR 96 15.149 0.363 -3.127 793 H LYS 97 H LYS 97 9.186 -5.847 -5.351 794 HA LYS 97 HA LYS 97 6.497 -5.777 -4.535 795 HB2 LYS 97 2HB LYS 97 7.430 -6.859 -6.615 796 HB3 LYS 97 1HB LYS 97 7.967 -8.191 -5.603 797 HG2 LYS 97 2HG LYS 97 5.649 -8.617 -4.932 798 HG3 LYS 97 1HG LYS 97 5.126 -7.275 -5.956 799 HD2 LYS 97 2HD LYS 97 5.848 -8.416 -7.938 800 HD3 LYS 97 1HD LYS 97 6.625 -9.682 -6.985 801 HE2 LYS 97 2HE LYS 97 4.501 -10.466 -7.892 802 HE3 LYS 97 1HE LYS 97 4.432 -10.381 -6.134 803 HZ1 LYS 97 3HZ LYS 97 2.429 -9.512 -7.210 804 HZ2 LYS 97 1HZ LYS 97 3.348 -8.318 -7.973 805 HZ3 LYS 97 2HZ LYS 97 3.201 -8.331 -6.286 806 H TRP 98 H TRP 98 5.441 -6.620 -2.825 807 HA TRP 98 HA TRP 98 6.852 -7.804 -0.666 808 HB2 TRP 98 2HB TRP 98 4.893 -6.512 -0.169 809 HB3 TRP 98 1HB TRP 98 3.887 -7.534 -1.194 810 HD1 TRP 98 HD1 TRP 98 6.365 -8.653 1.571 811 HE1 TRP 98 HE1 TRP 98 5.078 -10.071 3.284 812 HE3 TRP 98 HE3 TRP 98 1.656 -8.218 -0.374 813 HZ2 TRP 98 HZ2 TRP 98 2.445 -10.905 3.743 814 HZ3 TRP 98 HZ3 TRP 98 -0.194 -9.365 0.773 815 HH2 TRP 98 HH2 TRP 98 0.200 -10.682 2.805 816 H GLN 99 H GLN 99 7.720 -9.752 -0.833 817 HA GLN 99 HA GLN 99 6.030 -11.976 -1.778 818 HB2 GLN 99 2HB GLN 99 9.043 -11.707 -1.745 819 HB3 GLN 99 1HB GLN 99 8.210 -13.222 -2.065 820 HG2 GLN 99 2HG GLN 99 8.043 -10.704 -3.717 821 HG3 GLN 99 1HG GLN 99 8.911 -12.180 -4.134 822 HE21 GLN 99 1HE2 GLN 99 7.676 -14.073 -4.615 823 HE22 GLN 99 2HE2 GLN 99 6.040 -13.939 -5.147 824 HA PRO 100 HA PRO 100 6.269 -12.935 2.722 825 HB2 PRO 100 2HB PRO 100 4.099 -14.616 2.613 826 HB3 PRO 100 1HB PRO 100 3.972 -12.871 2.864 827 HG2 PRO 100 2HG PRO 100 3.664 -14.444 0.322 828 HG3 PRO 100 1HG PRO 100 2.653 -13.125 0.949 829 HD2 PRO 100 2HD PRO 100 4.480 -12.682 -0.961 830 HD3 PRO 100 1HD PRO 100 4.181 -11.488 0.317 831 H LEU 101 H LEU 101 6.527 -14.715 -0.185 832 HA LEU 101 HA LEU 101 7.490 -17.126 1.218 833 HB2 LEU 101 2HB LEU 101 6.687 -16.811 -1.685 834 HB3 LEU 101 1HB LEU 101 7.123 -18.311 -0.885 835 HG LEU 101 HG LEU 101 4.685 -16.635 -0.235 836 HD11 LEU 101 1HD1 LEU 101 3.400 -18.436 -1.274 837 HD12 LEU 101 2HD1 LEU 101 4.897 -19.251 -1.727 838 HD13 LEU 101 3HD1 LEU 101 4.499 -17.682 -2.430 839 HD21 LEU 101 3HD2 LEU 101 5.510 -17.847 1.714 840 HD22 LEU 101 1HD2 LEU 101 5.542 -19.349 0.788 841 HD23 LEU 101 2HD2 LEU 101 4.004 -18.558 1.136 842 H GLU 102 H GLU 102 9.641 -17.483 1.227 843 HA GLU 102 HA GLU 102 11.419 -15.686 -0.173 844 HB2 GLU 102 2HB GLU 102 12.020 -18.040 1.634 845 HB3 GLU 102 1HB GLU 102 13.216 -16.904 1.024 846 HG2 GLU 102 2HG GLU 102 12.130 -15.083 2.219 847 HG3 GLU 102 1HG GLU 102 10.888 -16.190 2.803 Start of MODEL 3 1 H1 MET 1 1H MET 1 -18.391 -1.949 11.500 2 H2 MET 1 2H MET 1 -17.535 -1.468 12.873 3 H3 MET 1 3H MET 1 -18.066 -3.066 12.728 4 HA MET 1 HA MET 1 -16.034 -1.725 11.034 5 HB2 MET 1 2HB MET 1 -15.248 -2.270 13.306 6 HB3 MET 1 1HB MET 1 -15.764 -3.937 13.091 7 HG2 MET 1 2HG MET 1 -13.363 -3.719 12.809 8 HG3 MET 1 1HG MET 1 -14.127 -4.220 11.300 9 HE1 MET 1 3HE MET 1 -11.810 -3.583 10.097 10 HE2 MET 1 1HE MET 1 -11.126 -2.990 11.610 11 HE3 MET 1 2HE MET 1 -11.085 -1.977 10.166 12 H ASP 2 H ASP 2 -16.312 -2.426 8.997 13 HA ASP 2 HA ASP 2 -17.609 -4.802 8.223 14 HB2 ASP 2 2HB ASP 2 -15.597 -3.146 6.683 15 HB3 ASP 2 1HB ASP 2 -16.670 -4.352 5.985 16 H GLN 3 H GLN 3 -16.919 -6.875 8.175 17 HA GLN 3 HA GLN 3 -14.362 -7.698 8.992 18 HB2 GLN 3 2HB GLN 3 -16.435 -9.190 7.368 19 HB3 GLN 3 1HB GLN 3 -14.998 -9.934 8.060 20 HG2 GLN 3 2HG GLN 3 -17.275 -8.651 9.560 21 HG3 GLN 3 1HG GLN 3 -16.889 -10.369 9.478 22 HE21 GLN 3 1HE2 GLN 3 -15.072 -11.136 10.618 23 HE22 GLN 3 2HE2 GLN 3 -14.367 -10.229 11.907 24 H PHE 4 H PHE 4 -15.574 -6.819 5.833 25 HA PHE 4 HA PHE 4 -13.536 -7.672 4.156 26 HB2 PHE 4 2HB PHE 4 -15.439 -6.536 3.226 27 HB3 PHE 4 1HB PHE 4 -15.123 -5.091 4.178 28 HD1 PHE 4 HD1 PHE 4 -13.748 -7.176 1.424 29 HD2 PHE 4 HD2 PHE 4 -13.813 -3.356 3.307 30 HE1 PHE 4 HE1 PHE 4 -12.454 -6.235 -0.444 31 HE2 PHE 4 HE2 PHE 4 -12.524 -2.409 1.438 32 HZ PHE 4 HZ PHE 4 -11.843 -3.850 -0.441 33 H LEU 5 H LEU 5 -13.670 -4.681 6.079 34 HA LEU 5 HA LEU 5 -11.079 -3.751 5.489 35 HB2 LEU 5 2HB LEU 5 -12.680 -3.300 8.016 36 HB3 LEU 5 1HB LEU 5 -11.351 -2.311 7.436 37 HG LEU 5 HG LEU 5 -14.011 -2.630 6.032 38 HD11 LEU 5 1HD1 LEU 5 -12.936 -0.339 7.679 39 HD12 LEU 5 2HD1 LEU 5 -14.279 -1.402 8.107 40 HD13 LEU 5 3HD1 LEU 5 -14.424 -0.310 6.731 41 HD21 LEU 5 3HD2 LEU 5 -11.712 -0.762 5.449 42 HD22 LEU 5 1HD2 LEU 5 -13.250 -0.828 4.589 43 HD23 LEU 5 2HD2 LEU 5 -12.134 -2.191 4.506 44 H VAL 6 H VAL 6 -12.309 -5.719 8.179 45 HA VAL 6 HA VAL 6 -9.960 -5.982 9.658 46 HB VAL 6 HB VAL 6 -12.135 -8.068 9.321 47 HG11 VAL 6 1HG1 VAL 6 -10.152 -8.993 10.386 48 HG12 VAL 6 2HG1 VAL 6 -11.456 -8.827 11.561 49 HG13 VAL 6 3HG1 VAL 6 -10.128 -7.664 11.547 50 HG21 VAL 6 3HG2 VAL 6 -13.148 -7.053 11.321 51 HG22 VAL 6 1HG2 VAL 6 -13.082 -5.922 9.971 52 HG23 VAL 6 2HG2 VAL 6 -11.923 -5.784 11.295 53 H GLN 7 H GLN 7 -11.122 -7.953 6.932 54 HA GLN 7 HA GLN 7 -9.052 -9.891 7.075 55 HB2 GLN 7 2HB GLN 7 -10.911 -9.133 4.815 56 HB3 GLN 7 1HB GLN 7 -9.804 -10.500 4.756 57 HG2 GLN 7 2HG GLN 7 -12.079 -10.130 6.703 58 HG3 GLN 7 1HG GLN 7 -12.045 -11.228 5.325 59 HE21 GLN 7 1HE2 GLN 7 -10.873 -10.646 8.546 60 HE22 GLN 7 2HE2 GLN 7 -10.226 -12.223 8.808 61 H ILE 8 H ILE 8 -9.495 -7.098 4.851 62 HA ILE 8 HA ILE 8 -7.104 -7.500 3.433 63 HB ILE 8 HB ILE 8 -7.266 -5.156 2.696 64 HG12 ILE 8 2HG1 ILE 8 -9.567 -4.964 4.665 65 HG13 ILE 8 1HG1 ILE 8 -8.016 -4.145 4.816 66 HG21 ILE 8 1HG2 ILE 8 -9.912 -6.611 2.720 67 HG22 ILE 8 2HG2 ILE 8 -8.596 -6.864 1.576 68 HG23 ILE 8 3HG2 ILE 8 -9.457 -5.325 1.600 69 HD11 ILE 8 3HD1 ILE 8 -9.723 -2.626 4.027 70 HD12 ILE 8 1HD1 ILE 8 -10.065 -3.684 2.657 71 HD13 ILE 8 2HD1 ILE 8 -8.503 -2.874 2.779 72 H PHE 9 H PHE 9 -7.715 -5.542 6.356 73 HA PHE 9 HA PHE 9 -5.080 -4.561 6.653 74 HB2 PHE 9 2HB PHE 9 -7.153 -5.146 8.788 75 HB3 PHE 9 1HB PHE 9 -5.690 -4.202 9.036 76 HD1 PHE 9 HD1 PHE 9 -6.308 -3.090 5.966 77 HD2 PHE 9 HD2 PHE 9 -8.242 -3.078 9.763 78 HE1 PHE 9 HE1 PHE 9 -7.526 -1.047 5.340 79 HE2 PHE 9 HE2 PHE 9 -9.458 -1.035 9.140 80 HZ PHE 9 HZ PHE 9 -9.101 -0.016 6.924 81 H ALA 10 H ALA 10 -6.665 -7.477 7.911 82 HA ALA 10 HA ALA 10 -4.600 -8.504 9.475 83 HB1 ALA 10 3HB ALA 10 -5.686 -10.677 9.221 84 HB2 ALA 10 1HB ALA 10 -6.628 -10.058 7.864 85 HB3 ALA 10 2HB ALA 10 -6.877 -9.403 9.483 86 H VAL 11 H VAL 11 -5.050 -8.651 5.979 87 HA VAL 11 HA VAL 11 -2.915 -10.498 5.491 88 HB VAL 11 HB VAL 11 -4.187 -8.495 3.606 89 HG11 VAL 11 1HG1 VAL 11 -2.420 -10.878 3.019 90 HG12 VAL 11 2HG1 VAL 11 -2.007 -9.180 2.776 91 HG13 VAL 11 3HG1 VAL 11 -3.279 -9.926 1.807 92 HG21 VAL 11 3HG2 VAL 11 -5.803 -10.101 4.497 93 HG22 VAL 11 1HG2 VAL 11 -4.757 -11.438 4.011 94 HG23 VAL 11 2HG2 VAL 11 -5.494 -10.404 2.787 95 H ILE 12 H ILE 12 -3.174 -6.959 5.356 96 HA ILE 12 HA ILE 12 -0.671 -6.403 4.247 97 HB ILE 12 HB ILE 12 -2.319 -4.693 6.116 98 HG12 ILE 12 2HG1 ILE 12 -2.189 -4.709 3.088 99 HG13 ILE 12 1HG1 ILE 12 -3.464 -5.469 4.033 100 HG21 ILE 12 1HG2 ILE 12 -0.003 -3.892 5.980 101 HG22 ILE 12 2HG2 ILE 12 -1.112 -2.781 5.177 102 HG23 ILE 12 3HG2 ILE 12 -0.112 -3.873 4.218 103 HD11 ILE 12 3HD1 ILE 12 -2.816 -2.530 4.002 104 HD12 ILE 12 1HD1 ILE 12 -4.112 -3.302 4.917 105 HD13 ILE 12 2HD1 ILE 12 -4.150 -3.314 3.154 106 H HIS 13 H HIS 13 -1.520 -7.030 7.625 107 HA HIS 13 HA HIS 13 0.833 -6.068 8.834 108 HB2 HIS 13 2HB HIS 13 -1.117 -8.217 9.651 109 HB3 HIS 13 1HB HIS 13 0.298 -7.848 10.631 110 HD2 HIS 13 HD2 HIS 13 -3.271 -6.702 10.208 111 HE1 HIS 13 HE1 HIS 13 -1.239 -3.617 12.277 112 HE2 HIS 13 HE2 HIS 13 -3.496 -4.642 11.764 113 H GLN 14 H GLN 14 0.547 -8.672 6.674 114 HA GLN 14 HA GLN 14 2.873 -10.104 7.724 115 HB2 GLN 14 2HB GLN 14 0.851 -10.674 5.590 116 HB3 GLN 14 1HB GLN 14 2.417 -11.465 5.500 117 HG2 GLN 14 2HG GLN 14 0.776 -12.878 6.592 118 HG3 GLN 14 1HG GLN 14 2.080 -12.446 7.686 119 HE21 GLN 14 1HE2 GLN 14 -0.587 -10.357 6.807 120 HE22 GLN 14 2HE2 GLN 14 -1.313 -10.331 8.370 121 H ILE 15 H ILE 15 2.464 -7.410 5.834 122 HA ILE 15 HA ILE 15 4.586 -7.955 3.924 123 HB ILE 15 HB ILE 15 3.228 -5.308 4.521 124 HG12 ILE 15 2HG1 ILE 15 2.611 -7.351 2.359 125 HG13 ILE 15 1HG1 ILE 15 1.612 -7.037 3.774 126 HG21 ILE 15 1HG2 ILE 15 4.068 -4.640 2.317 127 HG22 ILE 15 2HG2 ILE 15 4.872 -6.199 2.143 128 HG23 ILE 15 3HG2 ILE 15 5.391 -5.075 3.399 129 HD11 ILE 15 3HD1 ILE 15 1.191 -4.774 2.983 130 HD12 ILE 15 1HD1 ILE 15 0.721 -5.971 1.778 131 HD13 ILE 15 2HD1 ILE 15 2.220 -5.064 1.581 132 HA PRO 16 HA PRO 16 7.578 -6.776 7.103 133 HB2 PRO 16 2HB PRO 16 9.813 -7.436 5.724 134 HB3 PRO 16 1HB PRO 16 8.761 -8.649 6.467 135 HG2 PRO 16 2HG PRO 16 8.869 -7.730 3.610 136 HG3 PRO 16 1HG PRO 16 8.765 -9.382 4.247 137 HD2 PRO 16 2HD PRO 16 6.599 -8.034 3.321 138 HD3 PRO 16 1HD PRO 16 6.490 -9.225 4.634 139 H LYS 17 H LYS 17 9.409 -5.304 7.298 140 HA LYS 17 HA LYS 17 8.953 -2.799 6.151 141 HB2 LYS 17 2HB LYS 17 10.053 -3.093 8.310 142 HB3 LYS 17 1HB LYS 17 11.436 -3.846 7.527 143 HG2 LYS 17 2HG LYS 17 12.057 -1.796 6.476 144 HG3 LYS 17 1HG LYS 17 10.551 -1.021 6.973 145 HD2 LYS 17 2HD LYS 17 11.221 -1.213 9.318 146 HD3 LYS 17 1HD LYS 17 12.724 -1.999 8.829 147 HE2 LYS 17 2HE LYS 17 11.883 0.801 8.067 148 HE3 LYS 17 1HE LYS 17 13.040 0.390 9.332 149 HZ1 LYS 17 3HZ LYS 17 14.140 1.011 7.271 150 HZ2 LYS 17 1HZ LYS 17 13.357 -0.242 6.447 151 HZ3 LYS 17 2HZ LYS 17 14.469 -0.598 7.666 152 H GLY 18 H GLY 18 9.712 -1.735 4.399 153 HA2 GLY 18 2HA GLY 18 11.175 -1.229 2.633 154 HA3 GLY 18 1HA GLY 18 12.020 -2.739 2.915 155 H LYS 19 H LYS 19 8.950 -3.756 2.842 156 HA LYS 19 HA LYS 19 9.022 -4.220 -0.072 157 HB2 LYS 19 2HB LYS 19 7.868 -5.857 2.192 158 HB3 LYS 19 1HB LYS 19 7.518 -6.193 0.503 159 HG2 LYS 19 2HG LYS 19 10.279 -6.179 1.720 160 HG3 LYS 19 1HG LYS 19 9.303 -7.621 1.422 161 HD2 LYS 19 2HD LYS 19 9.259 -7.052 -0.989 162 HD3 LYS 19 1HD LYS 19 10.304 -5.672 -0.663 163 HE2 LYS 19 2HE LYS 19 11.039 -8.541 -0.065 164 HE3 LYS 19 1HE LYS 19 11.503 -7.681 -1.533 165 HZ1 LYS 19 3HZ LYS 19 12.718 -6.097 -0.203 166 HZ2 LYS 19 1HZ LYS 19 13.254 -7.661 0.149 167 HZ3 LYS 19 2HZ LYS 19 12.230 -6.858 1.228 168 H VAL 20 H VAL 20 7.044 -4.265 -1.262 169 HA VAL 20 HA VAL 20 4.739 -2.915 -0.023 170 HB VAL 20 HB VAL 20 4.384 -1.535 -2.003 171 HG11 VAL 20 1HG1 VAL 20 6.235 0.040 -1.743 172 HG12 VAL 20 2HG1 VAL 20 7.182 -1.201 -0.920 173 HG13 VAL 20 3HG1 VAL 20 5.702 -0.586 -0.182 174 HG21 VAL 20 3HG2 VAL 20 6.067 -1.364 -3.785 175 HG22 VAL 20 1HG2 VAL 20 5.381 -2.987 -3.697 176 HG23 VAL 20 2HG2 VAL 20 6.987 -2.671 -3.039 177 H SER 21 H SER 21 2.717 -3.234 -1.172 178 HA SER 21 HA SER 21 2.667 -5.378 -3.183 179 HB2 SER 21 2HB SER 21 2.219 -6.490 -1.024 180 HB3 SER 21 1HB SER 21 0.911 -5.352 -0.704 181 HG SER 21 HG SER 21 0.425 -7.533 -1.691 182 H THR 22 H THR 22 0.244 -5.620 -3.964 183 HA THR 22 HA THR 22 -0.726 -2.873 -4.496 184 HB THR 22 HB THR 22 -1.697 -3.707 -6.576 185 HG1 THR 22 HG1 THR 22 -0.424 -6.207 -6.221 186 HG21 THR 22 3HG2 THR 22 1.193 -4.547 -6.259 187 HG22 THR 22 1HG2 THR 22 0.618 -2.929 -6.670 188 HG23 THR 22 2HG2 THR 22 0.373 -4.265 -7.795 189 H TYR 23 H TYR 23 -3.004 -2.486 -4.604 190 HA TYR 23 HA TYR 23 -4.586 -3.569 -2.606 191 HB2 TYR 23 2HB TYR 23 -5.544 -2.343 -5.208 192 HB3 TYR 23 1HB TYR 23 -6.529 -2.571 -3.769 193 HD1 TYR 23 HD2 TYR 23 -5.099 -1.589 -1.563 194 HD2 TYR 23 HD1 TYR 23 -5.004 -0.123 -5.557 195 HE1 TYR 23 HE2 TYR 23 -4.414 0.624 -0.734 196 HE2 TYR 23 HE1 TYR 23 -4.317 2.087 -4.736 197 HH TYR 23 HH TYR 23 -3.191 2.626 -1.617 198 H GLY 24 H GLY 24 -4.205 -4.678 -5.935 199 HA2 GLY 24 2HA GLY 24 -6.357 -6.505 -6.027 200 HA3 GLY 24 1HA GLY 24 -4.915 -6.570 -7.027 201 H GLU 25 H GLU 25 -2.902 -7.086 -5.317 202 HA GLU 25 HA GLU 25 -3.111 -9.832 -4.781 203 HB2 GLU 25 2HB GLU 25 -1.146 -7.764 -3.763 204 HB3 GLU 25 1HB GLU 25 -0.966 -9.492 -3.479 205 HG2 GLU 25 2HG GLU 25 -0.758 -9.929 -5.817 206 HG3 GLU 25 1HG GLU 25 -1.164 -8.263 -6.219 207 H ILE 26 H ILE 26 -3.238 -7.067 -2.530 208 HA ILE 26 HA ILE 26 -3.597 -8.530 -0.160 209 HB ILE 26 HB ILE 26 -4.634 -5.761 -0.832 210 HG12 ILE 26 2HG1 ILE 26 -2.199 -5.952 -1.097 211 HG13 ILE 26 1HG1 ILE 26 -2.594 -4.960 0.302 212 HG21 ILE 26 1HG2 ILE 26 -4.705 -5.372 1.584 213 HG22 ILE 26 2HG2 ILE 26 -4.227 -7.044 1.877 214 HG23 ILE 26 3HG2 ILE 26 -5.781 -6.691 1.122 215 HD11 ILE 26 3HD1 ILE 26 -2.114 -6.842 1.777 216 HD12 ILE 26 1HD1 ILE 26 -0.729 -6.451 0.758 217 HD13 ILE 26 2HD1 ILE 26 -1.735 -7.847 0.378 218 H ALA 27 H ALA 27 -6.043 -7.140 -2.361 219 HA ALA 27 HA ALA 27 -8.334 -7.864 -0.922 220 HB1 ALA 27 3HB ALA 27 -8.041 -7.593 -3.918 221 HB2 ALA 27 1HB ALA 27 -8.355 -6.275 -2.788 222 HB3 ALA 27 2HB ALA 27 -9.555 -7.547 -3.013 223 H LYS 28 H LYS 28 -6.616 -9.661 -3.486 224 HA LYS 28 HA LYS 28 -8.381 -11.858 -3.624 225 HB2 LYS 28 2HB LYS 28 -5.423 -11.684 -4.239 226 HB3 LYS 28 1HB LYS 28 -6.434 -13.068 -4.639 227 HG2 LYS 28 2HG LYS 28 -7.812 -11.662 -6.083 228 HG3 LYS 28 1HG LYS 28 -6.824 -10.258 -5.669 229 HD2 LYS 28 2HD LYS 28 -4.861 -11.356 -6.660 230 HD3 LYS 28 1HD LYS 28 -5.852 -12.757 -7.073 231 HE2 LYS 28 2HE LYS 28 -7.238 -11.337 -8.522 232 HE3 LYS 28 1HE LYS 28 -6.236 -9.946 -8.110 233 HZ1 LYS 28 3HZ LYS 28 -5.578 -10.874 -10.221 234 HZ2 LYS 28 1HZ LYS 28 -5.325 -12.391 -9.521 235 HZ3 LYS 28 2HZ LYS 28 -4.335 -11.087 -9.094 236 H MET 29 H MET 29 -5.444 -11.361 -1.656 237 HA MET 29 HA MET 29 -5.492 -13.920 -0.422 238 HB2 MET 29 2HB MET 29 -4.275 -11.334 0.584 239 HB3 MET 29 1HB MET 29 -3.935 -12.936 1.224 240 HG2 MET 29 2HG MET 29 -3.003 -13.603 -0.930 241 HG3 MET 29 1HG MET 29 -3.343 -11.996 -1.573 242 HE1 MET 29 3HE MET 29 -0.899 -11.508 -2.318 243 HE2 MET 29 1HE MET 29 -0.476 -13.157 -1.854 244 HE3 MET 29 2HE MET 29 0.518 -11.805 -1.312 245 H ALA 30 H ALA 30 -7.007 -10.846 0.374 246 HA ALA 30 HA ALA 30 -7.942 -11.587 2.965 247 HB1 ALA 30 3HB ALA 30 -8.958 -9.439 1.099 248 HB2 ALA 30 1HB ALA 30 -7.663 -9.251 2.284 249 HB3 ALA 30 2HB ALA 30 -9.313 -9.571 2.823 250 H GLY 31 H GLY 31 -9.026 -12.346 -0.210 251 HA2 GLY 31 2HA GLY 31 -10.613 -14.089 -0.585 252 HA3 GLY 31 1HA GLY 31 -11.404 -13.674 0.924 253 H TYR 32 H TYR 32 -10.624 -10.973 -1.027 254 HA TYR 32 HA TYR 32 -13.342 -10.929 -2.189 255 HB2 TYR 32 2HB TYR 32 -11.873 -8.590 -0.937 256 HB3 TYR 32 1HB TYR 32 -13.432 -8.496 -1.750 257 HD1 TYR 32 HD2 TYR 32 -11.674 -9.751 1.248 258 HD2 TYR 32 HD1 TYR 32 -15.450 -9.163 -0.635 259 HE1 TYR 32 HE2 TYR 32 -12.805 -10.220 3.380 260 HE2 TYR 32 HE1 TYR 32 -16.588 -9.635 1.492 261 HH TYR 32 HH TYR 32 -16.207 -10.721 3.581 262 HA PRO 33 HA PRO 33 -10.082 -10.182 -5.448 263 HB2 PRO 33 2HB PRO 33 -11.026 -11.934 -7.289 264 HB3 PRO 33 1HB PRO 33 -9.954 -12.420 -5.971 265 HG2 PRO 33 2HG PRO 33 -12.932 -12.685 -6.187 266 HG3 PRO 33 1HG PRO 33 -11.745 -13.856 -5.583 267 HD2 PRO 33 2HD PRO 33 -13.261 -12.291 -3.941 268 HD3 PRO 33 1HD PRO 33 -11.638 -12.864 -3.506 269 H GLY 34 H GLY 34 -10.854 -8.088 -5.873 270 HA2 GLY 34 2HA GLY 34 -11.731 -7.279 -8.204 271 HA3 GLY 34 1HA GLY 34 -13.262 -7.841 -7.553 272 H TYR 35 H TYR 35 -12.713 -6.956 -4.832 273 HA TYR 35 HA TYR 35 -13.551 -4.198 -5.169 274 HB2 TYR 35 2HB TYR 35 -13.333 -5.988 -2.737 275 HB3 TYR 35 1HB TYR 35 -13.906 -4.323 -2.671 276 HD1 TYR 35 HD2 TYR 35 -16.045 -3.702 -3.757 277 HD2 TYR 35 HD1 TYR 35 -14.750 -7.757 -3.582 278 HE1 TYR 35 HE2 TYR 35 -18.322 -4.448 -4.295 279 HE2 TYR 35 HE1 TYR 35 -17.029 -8.510 -4.127 280 HH TYR 35 HH TYR 35 -19.353 -7.640 -3.939 281 H ALA 36 H ALA 36 -10.800 -4.673 -5.841 282 HA ALA 36 HA ALA 36 -8.974 -4.057 -3.794 283 HB1 ALA 36 3HB ALA 36 -7.405 -3.549 -5.593 284 HB2 ALA 36 1HB ALA 36 -8.733 -3.500 -6.752 285 HB3 ALA 36 2HB ALA 36 -8.318 -5.015 -5.950 286 H ARG 37 H ARG 37 -10.768 -1.956 -6.016 287 HA ARG 37 HA ARG 37 -9.581 0.489 -5.318 288 HB2 ARG 37 2HB ARG 37 -11.007 0.225 -7.281 289 HB3 ARG 37 1HB ARG 37 -12.401 -0.086 -6.256 290 HG2 ARG 37 2HG ARG 37 -12.435 2.159 -5.473 291 HG3 ARG 37 1HG ARG 37 -10.861 2.503 -6.194 292 HD2 ARG 37 2HD ARG 37 -11.811 2.215 -8.431 293 HD3 ARG 37 1HD ARG 37 -13.378 1.825 -7.724 294 HE ARG 37 HE ARG 37 -13.724 4.058 -7.287 295 HH11 ARG 37 1HH1 ARG 37 -10.488 3.590 -8.393 296 HH12 ARG 37 2HH1 ARG 37 -10.196 5.286 -8.569 297 HH21 ARG 37 1HH2 ARG 37 -13.338 6.226 -7.576 298 HH22 ARG 37 2HH2 ARG 37 -11.787 6.752 -8.132 299 H HIS 38 H HIS 38 -12.027 -1.407 -3.675 300 HA HIS 38 HA HIS 38 -12.790 0.683 -1.848 301 HB2 HIS 38 2HB HIS 38 -13.261 -2.309 -1.757 302 HB3 HIS 38 1HB HIS 38 -13.971 -1.149 -0.635 303 HD2 HIS 38 HD2 HIS 38 -14.248 -2.186 -4.398 304 HE1 HIS 38 HE1 HIS 38 -17.537 0.265 -3.366 305 HE2 HIS 38 HE2 HIS 38 -16.614 -1.366 -5.068 306 H VAL 39 H VAL 39 -10.500 -2.011 -1.809 307 HA VAL 39 HA VAL 39 -9.526 -1.744 0.806 308 HB VAL 39 HB VAL 39 -7.877 -2.345 -1.674 309 HG11 VAL 39 1HG1 VAL 39 -6.526 -1.835 0.305 310 HG12 VAL 39 2HG1 VAL 39 -6.382 -3.532 -0.149 311 HG13 VAL 39 3HG1 VAL 39 -7.393 -3.070 1.221 312 HG21 VAL 39 3HG2 VAL 39 -8.313 -4.719 -1.187 313 HG22 VAL 39 1HG2 VAL 39 -9.796 -3.842 -1.563 314 HG23 VAL 39 2HG2 VAL 39 -9.412 -4.246 0.111 315 H GLY 40 H GLY 40 -8.672 -0.025 -2.180 316 HA2 GLY 40 2HA GLY 40 -6.727 1.717 -1.169 317 HA3 GLY 40 1HA GLY 40 -7.758 2.045 -2.550 318 H LYS 41 H LYS 41 -10.262 2.041 -1.186 319 HA LYS 41 HA LYS 41 -10.424 4.665 -0.177 320 HB2 LYS 41 2HB LYS 41 -12.330 2.341 0.213 321 HB3 LYS 41 1HB LYS 41 -12.709 4.019 0.575 322 HG2 LYS 41 2HG LYS 41 -12.479 4.607 -1.774 323 HG3 LYS 41 1HG LYS 41 -12.018 2.947 -2.159 324 HD2 LYS 41 2HD LYS 41 -14.210 2.150 -1.423 325 HD3 LYS 41 1HD LYS 41 -14.673 3.793 -0.976 326 HE2 LYS 41 2HE LYS 41 -13.966 2.878 -3.766 327 HE3 LYS 41 1HE LYS 41 -15.605 3.099 -3.154 328 HZ1 LYS 41 3HZ LYS 41 -13.558 5.244 -3.358 329 HZ2 LYS 41 1HZ LYS 41 -15.155 5.435 -2.837 330 HZ3 LYS 41 2HZ LYS 41 -14.838 5.006 -4.439 331 H ALA 42 H ALA 42 -10.313 1.537 1.509 332 HA ALA 42 HA ALA 42 -10.605 2.526 4.135 333 HB1 ALA 42 3HB ALA 42 -10.911 0.171 3.539 334 HB2 ALA 42 1HB ALA 42 -9.754 0.360 4.856 335 HB3 ALA 42 2HB ALA 42 -9.182 0.026 3.221 336 H LEU 43 H LEU 43 -7.631 1.537 2.415 337 HA LEU 43 HA LEU 43 -5.859 2.362 4.462 338 HB2 LEU 43 2HB LEU 43 -5.321 1.983 1.512 339 HB3 LEU 43 1HB LEU 43 -4.097 2.094 2.766 340 HG LEU 43 HG LEU 43 -6.163 -0.100 2.490 341 HD11 LEU 43 1HD1 LEU 43 -4.248 -1.539 2.012 342 HD12 LEU 43 2HD1 LEU 43 -3.176 -0.139 2.078 343 HD13 LEU 43 3HD1 LEU 43 -4.407 -0.251 0.821 344 HD21 LEU 43 3HD2 LEU 43 -4.985 -1.187 4.346 345 HD22 LEU 43 1HD2 LEU 43 -5.686 0.355 4.838 346 HD23 LEU 43 2HD2 LEU 43 -3.954 0.234 4.527 347 H GLY 44 H GLY 44 -7.213 4.054 1.686 348 HA2 GLY 44 2HA GLY 44 -5.538 6.338 1.743 349 HA3 GLY 44 1HA GLY 44 -7.149 6.262 1.052 350 H ASN 45 H ASN 45 -8.003 5.341 3.904 351 HA ASN 45 HA ASN 45 -8.511 8.036 4.903 352 HB2 ASN 45 2HB ASN 45 -10.367 6.396 4.769 353 HB3 ASN 45 1HB ASN 45 -9.526 5.362 5.920 354 HD21 ASN 45 1HD2 ASN 45 -11.255 5.483 7.371 355 HD22 ASN 45 2HD2 ASN 45 -11.568 6.907 8.298 356 H LEU 46 H LEU 46 -6.610 5.212 5.701 357 HA LEU 46 HA LEU 46 -6.041 5.766 8.401 358 HB2 LEU 46 2HB LEU 46 -4.387 4.323 6.326 359 HB3 LEU 46 1HB LEU 46 -4.046 4.318 8.049 360 HG LEU 46 HG LEU 46 -6.551 3.205 6.761 361 HD11 LEU 46 1HD1 LEU 46 -4.179 1.772 7.953 362 HD12 LEU 46 2HD1 LEU 46 -4.579 1.871 6.237 363 HD13 LEU 46 3HD1 LEU 46 -5.653 1.016 7.344 364 HD21 LEU 46 3HD2 LEU 46 -7.039 2.283 8.975 365 HD22 LEU 46 1HD2 LEU 46 -6.966 4.044 9.023 366 HD23 LEU 46 2HD2 LEU 46 -5.614 3.088 9.634 367 HA PRO 47 HA PRO 47 -3.481 9.338 7.470 368 HB2 PRO 47 2HB PRO 47 -3.894 10.653 9.738 369 HB3 PRO 47 1HB PRO 47 -5.226 10.374 8.609 370 HG2 PRO 47 2HG PRO 47 -4.600 8.984 11.178 371 HG3 PRO 47 1HG PRO 47 -6.175 9.418 10.493 372 HD2 PRO 47 2HD PRO 47 -4.907 6.897 10.327 373 HD3 PRO 47 1HD PRO 47 -6.332 7.422 9.409 374 H GLU 48 H GLU 48 -1.952 10.719 9.033 375 HA GLU 48 HA GLU 48 0.369 9.224 9.568 376 HB2 GLU 48 2HB GLU 48 0.436 11.598 9.016 377 HB3 GLU 48 1HB GLU 48 -0.452 11.996 10.477 378 HG2 GLU 48 2HG GLU 48 1.886 12.528 10.746 379 HG3 GLU 48 1HG GLU 48 1.434 11.219 11.834 380 H GLY 49 H GLY 49 0.441 7.684 11.128 381 HA2 GLY 49 2HA GLY 49 0.886 7.615 13.620 382 HA3 GLY 49 1HA GLY 49 -0.709 8.326 13.789 383 H SER 50 H SER 50 -1.020 6.281 11.257 384 HA SER 50 HA SER 50 -2.561 4.365 12.644 385 HB2 SER 50 2HB SER 50 -3.040 4.801 10.325 386 HB3 SER 50 1HB SER 50 -1.410 4.334 9.845 387 HG SER 50 HG SER 50 -2.211 2.413 9.609 388 H LYS 51 H LYS 51 -2.131 2.374 13.447 389 HA LYS 51 HA LYS 51 0.538 1.484 13.883 390 HB2 LYS 51 2HB LYS 51 -1.273 0.939 15.430 391 HB3 LYS 51 1HB LYS 51 -2.099 0.025 14.175 392 HG2 LYS 51 2HG LYS 51 -0.211 -1.564 14.116 393 HG3 LYS 51 1HG LYS 51 0.564 -0.664 15.422 394 HD2 LYS 51 2HD LYS 51 -2.137 -2.018 15.588 395 HD3 LYS 51 1HD LYS 51 -0.629 -2.664 16.236 396 HE2 LYS 51 2HE LYS 51 -1.983 -0.101 17.089 397 HE3 LYS 51 1HE LYS 51 -1.957 -1.612 17.994 398 HZ1 LYS 51 3HZ LYS 51 0.501 -1.401 18.057 399 HZ2 LYS 51 1HZ LYS 51 -0.313 -0.174 18.886 400 HZ3 LYS 51 2HZ LYS 51 0.356 0.138 17.370 401 H LEU 52 H LEU 52 -2.046 0.449 11.710 402 HA LEU 52 HA LEU 52 -0.566 -1.629 10.430 403 HB2 LEU 52 2HB LEU 52 -3.004 -1.618 10.446 404 HB3 LEU 52 1HB LEU 52 -3.028 -0.095 9.577 405 HG LEU 52 HG LEU 52 -1.861 -1.315 7.666 406 HD11 LEU 52 1HD1 LEU 52 -2.081 -3.729 7.583 407 HD12 LEU 52 2HD1 LEU 52 -2.762 -3.745 9.207 408 HD13 LEU 52 3HD1 LEU 52 -1.091 -3.248 8.958 409 HD21 LEU 52 3HD2 LEU 52 -4.648 -2.187 8.429 410 HD22 LEU 52 1HD2 LEU 52 -3.947 -2.255 6.812 411 HD23 LEU 52 2HD2 LEU 52 -4.218 -0.697 7.590 412 HA PRO 53 HA PRO 53 1.743 1.193 7.759 413 HB2 PRO 53 2HB PRO 53 3.067 -0.684 6.305 414 HB3 PRO 53 1HB PRO 53 3.541 -0.244 7.951 415 HG2 PRO 53 2HG PRO 53 1.933 -2.594 7.008 416 HG3 PRO 53 1HG PRO 53 3.226 -2.538 8.221 417 HD2 PRO 53 2HD PRO 53 0.584 -2.581 8.874 418 HD3 PRO 53 1HD PRO 53 1.808 -1.777 9.876 419 H TRP 54 H TRP 54 -0.031 2.011 6.625 420 HA TRP 54 HA TRP 54 -1.344 0.499 4.550 421 HB2 TRP 54 2HB TRP 54 -2.550 2.673 4.133 422 HB3 TRP 54 1HB TRP 54 -2.686 2.060 5.776 423 HD1 TRP 54 HD1 TRP 54 -1.423 3.448 7.718 424 HE1 TRP 54 HE1 TRP 54 -0.604 5.884 7.813 425 HE3 TRP 54 HE3 TRP 54 -1.554 4.542 2.725 426 HZ2 TRP 54 HZ2 TRP 54 -0.077 7.996 6.004 427 HZ3 TRP 54 HZ3 TRP 54 -0.878 6.787 1.993 428 HH2 TRP 54 HH2 TRP 54 -0.156 8.477 3.599 429 H PHE 55 H PHE 55 1.206 2.860 4.735 430 HA PHE 55 HA PHE 55 1.279 3.743 2.085 431 HB2 PHE 55 2HB PHE 55 3.638 4.364 2.571 432 HB3 PHE 55 1HB PHE 55 2.504 4.893 3.807 433 HD1 PHE 55 HD1 PHE 55 5.274 2.620 3.040 434 HD2 PHE 55 HD2 PHE 55 2.533 3.922 6.034 435 HE1 PHE 55 HE1 PHE 55 6.645 1.533 4.768 436 HE2 PHE 55 HE2 PHE 55 3.904 2.837 7.762 437 HZ PHE 55 HZ PHE 55 5.962 1.642 7.132 438 H ARG 56 H ARG 56 2.071 0.635 3.299 439 HA ARG 56 HA ARG 56 4.051 -0.009 1.305 440 HB2 ARG 56 2HB ARG 56 2.505 -1.839 3.159 441 HB3 ARG 56 1HB ARG 56 3.867 -2.321 2.155 442 HG2 ARG 56 2HG ARG 56 5.218 -0.565 3.416 443 HG3 ARG 56 1HG ARG 56 3.868 -0.509 4.553 444 HD2 ARG 56 2HD ARG 56 4.117 -2.958 4.898 445 HD3 ARG 56 1HD ARG 56 5.527 -2.937 3.840 446 HE ARG 56 HE ARG 56 5.490 -2.300 6.572 447 HH11 ARG 56 1HH1 ARG 56 6.935 -1.258 3.625 448 HH12 ARG 56 2HH1 ARG 56 8.261 -0.495 4.436 449 HH21 ARG 56 1HH2 ARG 56 7.203 -1.374 7.582 450 HH22 ARG 56 2HH2 ARG 56 8.420 -0.571 6.645 451 H VAL 57 H VAL 57 0.665 0.229 1.196 452 HA VAL 57 HA VAL 57 0.526 -1.749 -0.998 453 HB VAL 57 HB VAL 57 -1.812 -0.683 0.600 454 HG11 VAL 57 1HG1 VAL 57 -1.578 -2.982 -1.350 455 HG12 VAL 57 2HG1 VAL 57 -2.419 -1.457 -1.626 456 HG13 VAL 57 3HG1 VAL 57 -3.017 -2.583 -0.409 457 HG21 VAL 57 3HG2 VAL 57 -0.307 -3.290 0.914 458 HG22 VAL 57 1HG2 VAL 57 -1.822 -2.884 1.725 459 HG23 VAL 57 2HG2 VAL 57 -0.360 -1.963 2.075 460 H ILE 58 H ILE 58 0.403 -0.964 -2.979 461 HA ILE 58 HA ILE 58 -0.805 1.706 -3.427 462 HB ILE 58 HB ILE 58 0.720 1.966 -5.361 463 HG12 ILE 58 2HG1 ILE 58 2.074 -0.526 -4.283 464 HG13 ILE 58 1HG1 ILE 58 1.137 -0.443 -5.770 465 HG21 ILE 58 1HG2 ILE 58 2.733 2.478 -4.076 466 HG22 ILE 58 2HG2 ILE 58 2.141 1.495 -2.735 467 HG23 ILE 58 3HG2 ILE 58 1.281 2.964 -3.200 468 HD11 ILE 58 3HD1 ILE 58 2.765 1.191 -6.655 469 HD12 ILE 58 1HD1 ILE 58 3.471 -0.384 -6.293 470 HD13 ILE 58 2HD1 ILE 58 3.729 0.969 -5.195 471 H ASN 59 H ASN 59 -0.878 1.735 -6.171 472 HA ASN 59 HA ASN 59 -3.128 -0.063 -6.636 473 HB2 ASN 59 2HB ASN 59 -3.570 1.403 -8.591 474 HB3 ASN 59 1HB ASN 59 -3.478 2.292 -7.075 475 HD21 ASN 59 1HD2 ASN 59 -2.839 4.246 -7.825 476 HD22 ASN 59 2HD2 ASN 59 -1.365 4.527 -8.676 477 H SER 60 H SER 60 -3.396 -0.818 -9.010 478 HA SER 60 HA SER 60 -1.258 -2.620 -9.621 479 HB2 SER 60 2HB SER 60 -2.694 -3.276 -11.561 480 HB3 SER 60 1HB SER 60 -3.556 -3.294 -10.024 481 HG SER 60 HG SER 60 -4.376 -2.111 -12.124 482 H GLN 61 H GLN 61 -1.558 0.606 -10.303 483 HA GLN 61 HA GLN 61 -0.300 0.556 -12.933 484 HB2 GLN 61 2HB GLN 61 -0.873 2.928 -11.133 485 HB3 GLN 61 1HB GLN 61 -0.474 2.979 -12.846 486 HG2 GLN 61 2HG GLN 61 -2.565 1.983 -13.435 487 HG3 GLN 61 1HG GLN 61 -2.948 1.656 -11.745 488 HE21 GLN 61 1HE2 GLN 61 -3.557 3.387 -10.409 489 HE22 GLN 61 2HE2 GLN 61 -4.105 4.887 -11.061 490 H GLY 62 H GLY 62 0.691 0.366 -9.716 491 HA2 GLY 62 2HA GLY 62 2.827 0.259 -8.823 492 HA3 GLY 62 1HA GLY 62 3.478 0.708 -10.392 493 H LYS 63 H LYS 63 1.030 2.623 -8.800 494 HA LYS 63 HA LYS 63 3.042 4.702 -8.202 495 HB2 LYS 63 2HB LYS 63 0.364 5.055 -9.562 496 HB3 LYS 63 1HB LYS 63 1.308 6.387 -8.917 497 HG2 LYS 63 2HG LYS 63 3.173 5.677 -10.449 498 HG3 LYS 63 1HG LYS 63 2.035 4.549 -11.187 499 HD2 LYS 63 2HD LYS 63 1.911 6.427 -12.572 500 HD3 LYS 63 1HD LYS 63 0.515 6.611 -11.512 501 HE2 LYS 63 2HE LYS 63 3.180 8.006 -11.211 502 HE3 LYS 63 1HE LYS 63 1.696 8.731 -11.814 503 HZ1 LYS 63 3HZ LYS 63 2.151 7.711 -9.062 504 HZ2 LYS 63 1HZ LYS 63 0.690 8.350 -9.635 505 HZ3 LYS 63 2HZ LYS 63 2.065 9.333 -9.530 506 H ILE 64 H ILE 64 2.371 6.321 -6.667 507 HA ILE 64 HA ILE 64 0.811 5.411 -4.457 508 HB ILE 64 HB ILE 64 1.806 8.199 -5.126 509 HG12 ILE 64 2HG1 ILE 64 2.995 6.062 -3.327 510 HG13 ILE 64 1HG1 ILE 64 3.620 6.539 -4.903 511 HG21 ILE 64 1HG2 ILE 64 1.476 8.712 -2.757 512 HG22 ILE 64 2HG2 ILE 64 0.800 7.105 -2.498 513 HG23 ILE 64 3HG2 ILE 64 -0.045 8.261 -3.528 514 HD11 ILE 64 3HD1 ILE 64 4.092 8.771 -4.035 515 HD12 ILE 64 1HD1 ILE 64 4.920 7.519 -3.111 516 HD13 ILE 64 2HD1 ILE 64 3.474 8.288 -2.456 517 H SER 65 H SER 65 -1.371 5.362 -4.393 518 HA SER 65 HA SER 65 -2.926 6.480 -6.530 519 HB2 SER 65 2HB SER 65 -3.775 5.020 -4.020 520 HB3 SER 65 1HB SER 65 -4.865 5.460 -5.334 521 HG SER 65 HG SER 65 -4.087 3.311 -5.505 522 H LEU 66 H LEU 66 -2.028 7.688 -3.457 523 HA LEU 66 HA LEU 66 -4.377 9.289 -3.008 524 HB2 LEU 66 2HB LEU 66 -1.646 9.377 -1.720 525 HB3 LEU 66 1HB LEU 66 -3.034 10.305 -1.180 526 HG LEU 66 HG LEU 66 -2.819 7.286 -1.189 527 HD11 LEU 66 1HD1 LEU 66 -1.460 8.336 0.547 528 HD12 LEU 66 2HD1 LEU 66 -2.843 7.494 1.244 529 HD13 LEU 66 3HD1 LEU 66 -2.862 9.253 1.103 530 HD21 LEU 66 3HD2 LEU 66 -4.974 7.346 0.004 531 HD22 LEU 66 1HD2 LEU 66 -5.101 7.975 -1.638 532 HD23 LEU 66 2HD2 LEU 66 -5.064 9.087 -0.269 533 H LYS 67 H LYS 67 -3.839 11.771 -2.449 534 HA LYS 67 HA LYS 67 -2.535 12.928 -4.828 535 HB2 LYS 67 2HB LYS 67 -4.473 14.572 -4.909 536 HB3 LYS 67 1HB LYS 67 -4.823 12.929 -5.426 537 HG2 LYS 67 2HG LYS 67 -5.912 12.440 -3.332 538 HG3 LYS 67 1HG LYS 67 -5.443 14.009 -2.674 539 HD2 LYS 67 2HD LYS 67 -7.164 13.724 -5.137 540 HD3 LYS 67 1HD LYS 67 -7.841 13.788 -3.510 541 HE2 LYS 67 2HE LYS 67 -6.031 15.915 -4.655 542 HE3 LYS 67 1HE LYS 67 -7.789 15.984 -4.732 543 HZ1 LYS 67 3HZ LYS 67 -6.842 17.237 -2.852 544 HZ2 LYS 67 1HZ LYS 67 -6.229 15.798 -2.208 545 HZ3 LYS 67 2HZ LYS 67 -7.897 16.018 -2.348 546 H GLY 68 H GLY 68 -1.512 14.866 -4.584 547 HA2 GLY 68 2HA GLY 68 -0.393 16.557 -3.509 548 HA3 GLY 68 1HA GLY 68 -1.956 16.890 -2.786 549 H ARG 69 H ARG 69 -1.753 17.169 -0.681 550 HA ARG 69 HA ARG 69 0.259 16.618 1.066 551 HB2 ARG 69 2HB ARG 69 -2.577 16.108 1.937 552 HB3 ARG 69 1HB ARG 69 -1.278 16.880 2.831 553 HG2 ARG 69 2HG ARG 69 -1.567 18.916 1.740 554 HG3 ARG 69 1HG ARG 69 -2.422 18.176 0.383 555 HD2 ARG 69 2HD ARG 69 -3.434 18.611 3.191 556 HD3 ARG 69 1HD ARG 69 -4.065 19.301 1.693 557 HE ARG 69 HE ARG 69 -4.168 16.478 1.571 558 HH11 ARG 69 1HH1 ARG 69 -5.762 19.146 3.050 559 HH12 ARG 69 2HH1 ARG 69 -7.223 18.261 3.300 560 HH21 ARG 69 1HH2 ARG 69 -6.018 15.362 1.887 561 HH22 ARG 69 2HH2 ARG 69 -7.382 16.144 2.616 562 H ASP 70 H ASP 70 -2.521 14.505 0.453 563 HA ASP 70 HA ASP 70 -1.765 12.417 2.173 564 HB2 ASP 70 2HB ASP 70 -3.570 12.258 -0.254 565 HB3 ASP 70 1HB ASP 70 -3.582 11.190 1.151 566 H LEU 71 H LEU 71 -1.085 13.004 -1.245 567 HA LEU 71 HA LEU 71 0.085 10.492 -1.842 568 HB2 LEU 71 2HB LEU 71 -0.602 12.330 -3.473 569 HB3 LEU 71 1HB LEU 71 0.882 13.154 -3.046 570 HG LEU 71 HG LEU 71 0.846 10.365 -4.223 571 HD11 LEU 71 1HD1 LEU 71 1.127 12.991 -5.688 572 HD12 LEU 71 2HD1 LEU 71 -0.241 11.883 -5.795 573 HD13 LEU 71 3HD1 LEU 71 1.343 11.385 -6.387 574 HD21 LEU 71 3HD2 LEU 71 3.022 12.448 -3.964 575 HD22 LEU 71 1HD2 LEU 71 3.173 10.940 -4.868 576 HD23 LEU 71 2HD2 LEU 71 2.929 10.899 -3.125 577 H ASP 72 H ASP 72 1.514 13.583 -0.794 578 HA ASP 72 HA ASP 72 4.154 12.652 -0.481 579 HB2 ASP 72 2HB ASP 72 2.664 14.991 0.711 580 HB3 ASP 72 1HB ASP 72 4.368 14.691 1.047 581 H ARG 73 H ARG 73 1.361 12.223 1.547 582 HA ARG 73 HA ARG 73 2.686 11.514 3.957 583 HB2 ARG 73 2HB ARG 73 0.018 10.653 2.828 584 HB3 ARG 73 1HB ARG 73 0.589 10.157 4.414 585 HG2 ARG 73 2HG ARG 73 0.096 12.997 3.527 586 HG3 ARG 73 1HG ARG 73 -0.963 12.024 4.551 587 HD2 ARG 73 2HD ARG 73 0.866 11.845 6.210 588 HD3 ARG 73 1HD ARG 73 1.851 12.908 5.201 589 HE ARG 73 HE ARG 73 -0.636 14.121 5.795 590 HH11 ARG 73 1HH1 ARG 73 2.389 13.323 7.233 591 HH12 ARG 73 2HH1 ARG 73 2.319 14.621 8.370 592 HH21 ARG 73 1HH2 ARG 73 -0.715 15.795 7.255 593 HH22 ARG 73 2HH2 ARG 73 0.590 16.024 8.363 594 H GLN 74 H GLN 74 1.273 9.353 1.464 595 HA GLN 74 HA GLN 74 2.499 7.003 2.397 596 HB2 GLN 74 2HB GLN 74 0.634 6.971 0.812 597 HB3 GLN 74 1HB GLN 74 1.640 7.717 -0.422 598 HG2 GLN 74 2HG GLN 74 2.931 5.771 -0.710 599 HG3 GLN 74 1HG GLN 74 2.358 5.067 0.801 600 HE21 GLN 74 1HE2 GLN 74 1.734 3.176 -0.268 601 HE22 GLN 74 2HE2 GLN 74 0.319 3.111 -1.254 602 H LYS 75 H LYS 75 3.614 9.456 0.116 603 HA LYS 75 HA LYS 75 5.983 8.250 -0.760 604 HB2 LYS 75 2HB LYS 75 5.037 10.269 -1.784 605 HB3 LYS 75 1HB LYS 75 5.400 11.190 -0.330 606 HG2 LYS 75 2HG LYS 75 7.828 10.677 -0.715 607 HG3 LYS 75 1HG LYS 75 7.365 9.979 -2.270 608 HD2 LYS 75 2HD LYS 75 6.420 12.131 -2.959 609 HD3 LYS 75 1HD LYS 75 6.846 12.827 -1.395 610 HE2 LYS 75 2HE LYS 75 9.241 12.287 -1.901 611 HE3 LYS 75 1HE LYS 75 8.733 11.819 -3.523 612 HZ1 LYS 75 3HZ LYS 75 7.840 14.089 -3.798 613 HZ2 LYS 75 1HZ LYS 75 9.514 14.066 -3.552 614 HZ3 LYS 75 2HZ LYS 75 8.478 14.503 -2.292 615 H GLN 76 H GLN 76 5.613 10.624 1.928 616 HA GLN 76 HA GLN 76 8.290 10.735 2.680 617 HB2 GLN 76 2HB GLN 76 7.561 11.642 4.810 618 HB3 GLN 76 1HB GLN 76 6.552 12.290 3.525 619 HG2 GLN 76 2HG GLN 76 4.780 10.721 4.107 620 HG3 GLN 76 1HG GLN 76 5.792 10.032 5.373 621 HE21 GLN 76 1HE2 GLN 76 6.125 11.206 7.259 622 HE22 GLN 76 2HE2 GLN 76 5.115 12.537 7.699 623 H LYS 77 H LYS 77 5.803 8.423 3.660 624 HA LYS 77 HA LYS 77 7.361 7.082 5.622 625 HB2 LYS 77 2HB LYS 77 5.060 6.041 3.949 626 HB3 LYS 77 1HB LYS 77 5.697 5.273 5.398 627 HG2 LYS 77 2HG LYS 77 4.365 7.975 5.246 628 HG3 LYS 77 1HG LYS 77 3.670 6.491 5.908 629 HD2 LYS 77 2HD LYS 77 5.267 6.457 7.693 630 HD3 LYS 77 1HD LYS 77 6.191 7.772 6.967 631 HE2 LYS 77 2HE LYS 77 4.235 9.262 7.288 632 HE3 LYS 77 1HE LYS 77 3.403 7.940 8.110 633 HZ1 LYS 77 3HZ LYS 77 5.096 7.938 9.801 634 HZ2 LYS 77 1HZ LYS 77 4.462 9.500 9.646 635 HZ3 LYS 77 2HZ LYS 77 5.977 9.131 8.991 636 H LEU 78 H LEU 78 6.716 6.336 2.197 637 HA LEU 78 HA LEU 78 8.250 4.004 1.995 638 HB2 LEU 78 2HB LEU 78 7.691 6.112 -0.100 639 HB3 LEU 78 1HB LEU 78 8.307 4.502 -0.435 640 HG LEU 78 HG LEU 78 5.643 5.012 0.893 641 HD11 LEU 78 1HD1 LEU 78 6.243 4.511 -2.020 642 HD12 LEU 78 2HD1 LEU 78 5.595 5.995 -1.318 643 HD13 LEU 78 3HD1 LEU 78 4.635 4.516 -1.292 644 HD21 LEU 78 3HD2 LEU 78 5.184 2.692 0.268 645 HD22 LEU 78 1HD2 LEU 78 6.592 2.805 1.322 646 HD23 LEU 78 2HD2 LEU 78 6.806 2.548 -0.411 647 H GLU 79 H GLU 79 9.203 7.392 1.404 648 HA GLU 79 HA GLU 79 11.889 6.870 0.723 649 HB2 GLU 79 2HB GLU 79 10.735 9.350 2.025 650 HB3 GLU 79 1HB GLU 79 12.303 9.243 1.234 651 HG2 GLU 79 2HG GLU 79 11.121 8.657 -0.886 652 HG3 GLU 79 1HG GLU 79 9.594 8.969 -0.063 653 H ALA 80 H ALA 80 10.359 7.524 3.869 654 HA ALA 80 HA ALA 80 12.696 7.436 5.453 655 HB1 ALA 80 3HB ALA 80 10.568 8.281 6.303 656 HB2 ALA 80 1HB ALA 80 11.186 6.993 7.337 657 HB3 ALA 80 2HB ALA 80 9.872 6.665 6.206 658 H GLU 81 H GLU 81 10.825 4.934 3.955 659 HA GLU 81 HA GLU 81 11.990 2.731 5.411 660 HB2 GLU 81 2HB GLU 81 10.380 2.884 2.853 661 HB3 GLU 81 1HB GLU 81 10.924 1.372 3.567 662 HG2 GLU 81 2HG GLU 81 9.219 3.342 5.063 663 HG3 GLU 81 1HG GLU 81 8.538 2.077 4.039 664 H GLY 82 H GLY 82 12.901 4.668 2.715 665 HA2 GLY 82 2HA GLY 82 14.978 4.612 1.603 666 HA3 GLY 82 1HA GLY 82 15.221 2.965 2.167 667 H ILE 83 H ILE 83 12.131 3.567 0.866 668 HA ILE 83 HA ILE 83 12.649 1.835 -1.397 669 HB ILE 83 HB ILE 83 10.096 3.194 -0.479 670 HG12 ILE 83 2HG1 ILE 83 11.022 0.318 -0.171 671 HG13 ILE 83 1HG1 ILE 83 11.027 1.525 1.109 672 HG21 ILE 83 1HG2 ILE 83 9.975 2.722 -2.856 673 HG22 ILE 83 2HG2 ILE 83 8.936 1.606 -1.970 674 HG23 ILE 83 3HG2 ILE 83 10.497 1.061 -2.581 675 HD11 ILE 83 3HD1 ILE 83 9.130 0.035 1.328 676 HD12 ILE 83 1HD1 ILE 83 8.592 0.450 -0.300 677 HD13 ILE 83 2HD1 ILE 83 8.589 1.674 0.970 678 H GLU 84 H GLU 84 12.953 2.459 -3.474 679 HA GLU 84 HA GLU 84 13.452 5.174 -4.098 680 HB2 GLU 84 2HB GLU 84 13.104 2.816 -5.961 681 HB3 GLU 84 1HB GLU 84 13.757 4.381 -6.423 682 HG2 GLU 84 2HG GLU 84 15.609 4.052 -4.835 683 HG3 GLU 84 1HG GLU 84 14.966 2.459 -4.444 684 H VAL 85 H VAL 85 11.608 6.391 -3.729 685 HA VAL 85 HA VAL 85 9.232 5.940 -5.361 686 HB VAL 85 HB VAL 85 9.854 8.208 -3.446 687 HG11 VAL 85 1HG1 VAL 85 7.234 7.383 -4.714 688 HG12 VAL 85 2HG1 VAL 85 8.169 8.827 -5.107 689 HG13 VAL 85 3HG1 VAL 85 7.441 8.655 -3.510 690 HG21 VAL 85 3HG2 VAL 85 8.219 5.701 -3.012 691 HG22 VAL 85 1HG2 VAL 85 8.389 7.033 -1.869 692 HG23 VAL 85 2HG2 VAL 85 9.793 6.055 -2.295 693 H SER 86 H SER 86 9.328 6.565 -7.438 694 HA SER 86 HA SER 86 11.000 8.593 -8.486 695 HB2 SER 86 2HB SER 86 10.138 6.851 -9.948 696 HB3 SER 86 1HB SER 86 8.480 7.359 -9.633 697 HG SER 86 HG SER 86 10.374 8.441 -11.329 698 H GLU 87 H GLU 87 10.600 10.684 -9.073 699 HA GLU 87 HA GLU 87 9.412 12.373 -7.332 700 HB2 GLU 87 2HB GLU 87 9.526 14.103 -9.103 701 HB3 GLU 87 1HB GLU 87 10.984 13.124 -9.002 702 HG2 GLU 87 2HG GLU 87 10.079 11.751 -10.906 703 HG3 GLU 87 1HG GLU 87 8.800 12.950 -11.073 704 H ILE 88 H ILE 88 7.792 11.094 -10.231 705 HA ILE 88 HA ILE 88 5.400 12.640 -9.721 706 HB ILE 88 HB ILE 88 4.470 11.350 -11.694 707 HG12 ILE 88 2HG1 ILE 88 6.411 10.350 -13.143 708 HG13 ILE 88 1HG1 ILE 88 7.246 10.164 -11.608 709 HG21 ILE 88 1HG2 ILE 88 7.020 12.918 -12.082 710 HG22 ILE 88 2HG2 ILE 88 5.393 13.579 -11.912 711 HG23 ILE 88 3HG2 ILE 88 5.805 12.609 -13.325 712 HD11 ILE 88 3HD1 ILE 88 5.438 8.749 -10.794 713 HD12 ILE 88 1HD1 ILE 88 6.142 8.114 -12.280 714 HD13 ILE 88 2HD1 ILE 88 4.589 8.949 -12.327 715 H GLY 89 H GLY 89 6.322 10.529 -7.772 716 HA2 GLY 89 2HA GLY 89 5.267 9.173 -6.248 717 HA3 GLY 89 1HA GLY 89 3.744 9.611 -7.000 718 H LYS 90 H LYS 90 6.640 7.727 -7.956 719 HA LYS 90 HA LYS 90 4.848 5.443 -8.553 720 HB2 LYS 90 2HB LYS 90 5.517 6.707 -10.621 721 HB3 LYS 90 1HB LYS 90 7.186 6.281 -10.281 722 HG2 LYS 90 2HG LYS 90 6.696 3.934 -10.569 723 HG3 LYS 90 1HG LYS 90 4.975 4.287 -10.769 724 HD2 LYS 90 2HD LYS 90 5.551 5.655 -12.776 725 HD3 LYS 90 1HD LYS 90 7.228 5.131 -12.603 726 HE2 LYS 90 2HE LYS 90 6.549 2.810 -12.929 727 HE3 LYS 90 1HE LYS 90 4.859 3.305 -13.039 728 HZ1 LYS 90 3HZ LYS 90 7.043 3.994 -14.924 729 HZ2 LYS 90 1HZ LYS 90 5.494 4.667 -14.993 730 HZ3 LYS 90 2HZ LYS 90 5.705 3.009 -15.231 731 H ILE 91 H ILE 91 5.802 3.348 -8.352 732 HA ILE 91 HA ILE 91 8.337 3.298 -6.818 733 HB ILE 91 HB ILE 91 5.897 1.570 -6.307 734 HG12 ILE 91 2HG1 ILE 91 7.015 3.865 -4.668 735 HG13 ILE 91 1HG1 ILE 91 5.544 3.925 -5.633 736 HG21 ILE 91 1HG2 ILE 91 8.013 0.439 -5.786 737 HG22 ILE 91 2HG2 ILE 91 7.095 0.793 -4.323 738 HG23 ILE 91 3HG2 ILE 91 8.483 1.792 -4.754 739 HD11 ILE 91 3HD1 ILE 91 4.978 3.643 -3.323 740 HD12 ILE 91 1HD1 ILE 91 6.032 2.234 -3.191 741 HD13 ILE 91 2HD1 ILE 91 4.583 2.162 -4.191 742 H ALA 92 H ALA 92 9.673 1.458 -7.099 743 HA ALA 92 HA ALA 92 9.300 -0.007 -9.576 744 HB1 ALA 92 3HB ALA 92 11.508 -0.922 -9.157 745 HB2 ALA 92 1HB ALA 92 11.504 -0.256 -7.524 746 HB3 ALA 92 2HB ALA 92 11.529 0.825 -8.919 747 H LEU 93 H LEU 93 7.561 -1.399 -9.268 748 HA LEU 93 HA LEU 93 7.042 -2.909 -6.970 749 HB2 LEU 93 2HB LEU 93 6.202 -3.241 -9.836 750 HB3 LEU 93 1HB LEU 93 5.691 -4.378 -8.601 751 HG LEU 93 HG LEU 93 5.110 -1.405 -8.577 752 HD11 LEU 93 1HD1 LEU 93 3.269 -3.734 -9.139 753 HD12 LEU 93 2HD1 LEU 93 3.876 -2.592 -10.338 754 HD13 LEU 93 3HD1 LEU 93 2.807 -2.033 -9.051 755 HD21 LEU 93 3HD2 LEU 93 5.304 -2.324 -6.327 756 HD22 LEU 93 1HD2 LEU 93 4.181 -3.619 -6.741 757 HD23 LEU 93 2HD2 LEU 93 3.624 -1.946 -6.698 758 H ARG 94 H ARG 94 8.571 -4.047 -10.017 759 HA ARG 94 HA ARG 94 8.917 -6.703 -9.221 760 HB2 ARG 94 2HB ARG 94 10.709 -5.122 -11.080 761 HB3 ARG 94 1HB ARG 94 10.589 -6.876 -11.000 762 HG2 ARG 94 2HG ARG 94 8.190 -6.674 -11.662 763 HG3 ARG 94 1HG ARG 94 8.452 -4.945 -11.891 764 HD2 ARG 94 2HD ARG 94 9.830 -7.191 -13.368 765 HD3 ARG 94 1HD ARG 94 8.610 -6.096 -14.017 766 HE ARG 94 HE ARG 94 11.355 -5.316 -13.257 767 HH11 ARG 94 1HH1 ARG 94 8.439 -4.732 -15.003 768 HH12 ARG 94 2HH1 ARG 94 9.159 -3.534 -16.022 769 HH21 ARG 94 1HH2 ARG 94 12.268 -3.774 -14.574 770 HH22 ARG 94 2HH2 ARG 94 11.301 -2.996 -15.779 771 H LYS 95 H LYS 95 10.630 -3.920 -8.180 772 HA LYS 95 HA LYS 95 12.914 -5.454 -7.180 773 HB2 LYS 95 2HB LYS 95 13.304 -3.288 -8.305 774 HB3 LYS 95 1HB LYS 95 12.339 -2.480 -7.078 775 HG2 LYS 95 2HG LYS 95 13.967 -3.125 -5.365 776 HG3 LYS 95 1HG LYS 95 14.931 -3.947 -6.592 777 HD2 LYS 95 2HD LYS 95 14.310 -0.987 -6.511 778 HD3 LYS 95 1HD LYS 95 15.848 -1.734 -6.078 779 HE2 LYS 95 2HE LYS 95 16.054 -2.584 -8.391 780 HE3 LYS 95 1HE LYS 95 14.551 -1.762 -8.808 781 HZ1 LYS 95 3HZ LYS 95 15.634 0.344 -8.176 782 HZ2 LYS 95 1HZ LYS 95 16.403 -0.424 -9.471 783 HZ3 LYS 95 2HZ LYS 95 17.080 -0.489 -7.926 784 H TYR 96 H TYR 96 9.979 -3.924 -6.020 785 HA TYR 96 HA TYR 96 10.817 -4.438 -3.225 786 HB2 TYR 96 2HB TYR 96 9.006 -2.282 -4.320 787 HB3 TYR 96 1HB TYR 96 9.187 -2.627 -2.604 788 HD1 TYR 96 HD1 TYR 96 11.476 -2.360 -1.555 789 HD2 TYR 96 HD2 TYR 96 10.554 -0.887 -5.442 790 HE1 TYR 96 HE1 TYR 96 13.401 -0.839 -1.429 791 HE2 TYR 96 HE2 TYR 96 12.482 0.631 -5.329 792 HH TYR 96 HH TYR 96 14.881 0.392 -2.910 793 H LYS 97 H LYS 97 8.938 -5.929 -5.407 794 HA LYS 97 HA LYS 97 6.375 -6.077 -4.337 795 HB2 LYS 97 2HB LYS 97 8.001 -8.027 -5.930 796 HB3 LYS 97 1HB LYS 97 6.468 -8.550 -5.248 797 HG2 LYS 97 2HG LYS 97 5.382 -6.614 -6.408 798 HG3 LYS 97 1HG LYS 97 6.922 -6.311 -7.213 799 HD2 LYS 97 2HD LYS 97 5.508 -7.611 -8.677 800 HD3 LYS 97 1HD LYS 97 6.852 -8.615 -8.132 801 HE2 LYS 97 2HE LYS 97 4.833 -9.920 -8.047 802 HE3 LYS 97 1HE LYS 97 5.354 -9.588 -6.397 803 HZ1 LYS 97 3HZ LYS 97 3.713 -7.775 -6.322 804 HZ2 LYS 97 1HZ LYS 97 2.989 -9.279 -6.593 805 HZ3 LYS 97 2HZ LYS 97 3.185 -8.193 -7.872 806 H TRP 98 H TRP 98 5.434 -7.008 -2.655 807 HA TRP 98 HA TRP 98 6.819 -7.924 -0.428 808 HB2 TRP 98 2HB TRP 98 4.594 -7.074 -0.185 809 HB3 TRP 98 1HB TRP 98 3.938 -8.293 -1.271 810 HD1 TRP 98 HD1 TRP 98 6.326 -9.251 1.590 811 HE1 TRP 98 HE1 TRP 98 5.017 -10.674 3.287 812 HE3 TRP 98 HE3 TRP 98 1.628 -8.758 -0.375 813 HZ2 TRP 98 HZ2 TRP 98 2.366 -11.491 3.723 814 HZ3 TRP 98 HZ3 TRP 98 -0.244 -9.893 0.750 815 HH2 TRP 98 HH2 TRP 98 0.124 -11.238 2.772 816 H GLN 99 H GLN 99 8.030 -9.664 -0.278 817 HA GLN 99 HA GLN 99 7.159 -12.202 -1.510 818 HB2 GLN 99 2HB GLN 99 9.954 -11.322 -0.720 819 HB3 GLN 99 1HB GLN 99 9.534 -12.852 -1.483 820 HG2 GLN 99 2HG GLN 99 8.910 -11.766 -3.509 821 HG3 GLN 99 1HG GLN 99 9.003 -10.176 -2.756 822 HE21 GLN 99 1HE2 GLN 99 10.469 -9.434 -4.277 823 HE22 GLN 99 2HE2 GLN 99 12.116 -9.947 -4.304 824 HA PRO 100 HA PRO 100 6.782 -12.919 3.019 825 HB2 PRO 100 2HB PRO 100 4.589 -14.463 2.955 826 HB3 PRO 100 1HB PRO 100 4.493 -12.711 2.731 827 HG2 PRO 100 2HG PRO 100 4.449 -14.890 0.667 828 HG3 PRO 100 1HG PRO 100 3.438 -13.437 0.779 829 HD2 PRO 100 2HD PRO 100 5.642 -13.643 -0.851 830 HD3 PRO 100 1HD PRO 100 5.027 -12.107 -0.212 831 H LEU 101 H LEU 101 7.623 -14.984 0.482 832 HA LEU 101 HA LEU 101 8.009 -17.276 2.313 833 HB2 LEU 101 2HB LEU 101 7.364 -17.392 -0.641 834 HB3 LEU 101 1HB LEU 101 7.659 -18.774 0.397 835 HG LEU 101 HG LEU 101 5.322 -16.864 0.609 836 HD11 LEU 101 1HD1 LEU 101 3.983 -18.807 -0.057 837 HD12 LEU 101 2HD1 LEU 101 5.459 -19.751 -0.267 838 HD13 LEU 101 3HD1 LEU 101 5.147 -18.358 -1.303 839 HD21 LEU 101 3HD2 LEU 101 6.012 -17.658 2.812 840 HD22 LEU 101 1HD2 LEU 101 5.969 -19.325 2.239 841 HD23 LEU 101 2HD2 LEU 101 4.478 -18.385 2.335 842 H GLU 102 H GLU 102 9.808 -18.689 1.824 843 HA GLU 102 HA GLU 102 11.857 -17.625 -0.010 844 HB2 GLU 102 2HB GLU 102 12.403 -18.599 2.809 845 HB3 GLU 102 1HB GLU 102 13.631 -18.160 1.632 846 HG2 GLU 102 2HG GLU 102 12.763 -15.848 1.625 847 HG3 GLU 102 1HG GLU 102 11.591 -16.308 2.858 Start of MODEL 4 1 H1 MET 1 1H MET 1 -17.388 -0.857 12.504 2 H2 MET 1 2H MET 1 -17.999 -2.429 12.412 3 H3 MET 1 3H MET 1 -18.202 -1.370 11.113 4 HA MET 1 HA MET 1 -15.783 -1.293 10.808 5 HB2 MET 1 2HB MET 1 -15.274 -1.907 13.179 6 HB3 MET 1 1HB MET 1 -15.792 -3.551 12.833 7 HG2 MET 1 2HG MET 1 -13.376 -3.362 12.806 8 HG3 MET 1 1HG MET 1 -13.993 -3.782 11.209 9 HE1 MET 1 3HE MET 1 -11.482 -3.092 10.328 10 HE2 MET 1 1HE MET 1 -11.036 -2.583 11.958 11 HE3 MET 1 2HE MET 1 -10.791 -1.491 10.594 12 H ASP 2 H ASP 2 -15.957 -2.012 8.758 13 HA ASP 2 HA ASP 2 -17.469 -4.243 7.929 14 HB2 ASP 2 2HB ASP 2 -15.201 -2.902 6.437 15 HB3 ASP 2 1HB ASP 2 -16.495 -3.862 5.731 16 H GLN 3 H GLN 3 -16.950 -6.375 7.541 17 HA GLN 3 HA GLN 3 -14.651 -7.612 8.579 18 HB2 GLN 3 2HB GLN 3 -16.698 -8.487 6.543 19 HB3 GLN 3 1HB GLN 3 -15.312 -9.504 6.909 20 HG2 GLN 3 2HG GLN 3 -17.238 -8.524 9.009 21 HG3 GLN 3 1HG GLN 3 -17.429 -10.050 8.145 22 HE21 GLN 3 1HE2 GLN 3 -15.565 -8.328 10.533 23 HE22 GLN 3 2HE2 GLN 3 -14.685 -9.694 11.121 24 H PHE 4 H PHE 4 -15.346 -6.303 5.393 25 HA PHE 4 HA PHE 4 -13.159 -7.118 3.919 26 HB2 PHE 4 2HB PHE 4 -14.832 -5.871 2.804 27 HB3 PHE 4 1HB PHE 4 -14.724 -4.538 3.948 28 HD1 PHE 4 HD1 PHE 4 -12.582 -6.337 1.458 29 HD2 PHE 4 HD2 PHE 4 -13.623 -2.626 3.277 30 HE1 PHE 4 HE1 PHE 4 -11.043 -5.160 -0.056 31 HE2 PHE 4 HE2 PHE 4 -12.090 -1.449 1.760 32 HZ PHE 4 HZ PHE 4 -10.797 -2.715 0.091 33 H LEU 5 H LEU 5 -13.366 -4.281 6.053 34 HA LEU 5 HA LEU 5 -10.728 -3.377 5.748 35 HB2 LEU 5 2HB LEU 5 -12.563 -3.117 8.138 36 HB3 LEU 5 1HB LEU 5 -11.117 -2.162 7.859 37 HG LEU 5 HG LEU 5 -13.570 -2.137 6.087 38 HD11 LEU 5 1HD1 LEU 5 -14.078 -1.166 8.240 39 HD12 LEU 5 2HD1 LEU 5 -13.953 0.105 7.024 40 HD13 LEU 5 3HD1 LEU 5 -12.631 -0.159 8.163 41 HD21 LEU 5 3HD2 LEU 5 -11.095 -0.401 6.070 42 HD22 LEU 5 1HD2 LEU 5 -12.514 -0.189 5.043 43 HD23 LEU 5 2HD2 LEU 5 -11.512 -1.629 4.874 44 H VAL 6 H VAL 6 -12.158 -5.420 8.297 45 HA VAL 6 HA VAL 6 -9.866 -5.831 9.823 46 HB VAL 6 HB VAL 6 -12.085 -7.845 9.396 47 HG11 VAL 6 1HG1 VAL 6 -11.522 -8.601 11.670 48 HG12 VAL 6 2HG1 VAL 6 -10.187 -7.450 11.719 49 HG13 VAL 6 3HG1 VAL 6 -10.160 -8.784 10.566 50 HG21 VAL 6 3HG2 VAL 6 -13.009 -5.658 9.971 51 HG22 VAL 6 1HG2 VAL 6 -11.934 -5.557 11.368 52 HG23 VAL 6 2HG2 VAL 6 -13.196 -6.787 11.311 53 H GLN 7 H GLN 7 -11.084 -7.755 7.083 54 HA GLN 7 HA GLN 7 -9.118 -9.775 7.177 55 HB2 GLN 7 2HB GLN 7 -10.912 -8.792 4.957 56 HB3 GLN 7 1HB GLN 7 -9.798 -10.137 4.735 57 HG2 GLN 7 2HG GLN 7 -11.997 -10.027 6.799 58 HG3 GLN 7 1HG GLN 7 -12.090 -10.868 5.252 59 HE21 GLN 7 1HE2 GLN 7 -10.694 -10.873 8.436 60 HE22 GLN 7 2HE2 GLN 7 -10.080 -12.486 8.382 61 H ILE 8 H ILE 8 -9.295 -6.939 4.950 62 HA ILE 8 HA ILE 8 -6.841 -7.453 3.688 63 HB ILE 8 HB ILE 8 -6.829 -5.103 2.947 64 HG12 ILE 8 2HG1 ILE 8 -9.268 -4.789 4.721 65 HG13 ILE 8 1HG1 ILE 8 -7.694 -4.059 5.012 66 HG21 ILE 8 1HG2 ILE 8 -8.163 -6.773 1.752 67 HG22 ILE 8 2HG2 ILE 8 -8.907 -5.176 1.671 68 HG23 ILE 8 3HG2 ILE 8 -9.554 -6.395 2.770 69 HD11 ILE 8 3HD1 ILE 8 -7.935 -2.764 2.944 70 HD12 ILE 8 1HD1 ILE 8 -9.231 -2.444 4.096 71 HD13 ILE 8 2HD1 ILE 8 -9.529 -3.478 2.699 72 H PHE 9 H PHE 9 -7.520 -5.389 6.532 73 HA PHE 9 HA PHE 9 -4.897 -4.437 6.901 74 HB2 PHE 9 2HB PHE 9 -7.066 -4.936 8.959 75 HB3 PHE 9 1HB PHE 9 -5.589 -4.032 9.268 76 HD1 PHE 9 HD1 PHE 9 -5.948 -2.929 6.182 77 HD2 PHE 9 HD2 PHE 9 -8.194 -2.850 9.806 78 HE1 PHE 9 HE1 PHE 9 -7.054 -0.859 5.451 79 HE2 PHE 9 HE2 PHE 9 -9.303 -0.783 9.074 80 HZ PHE 9 HZ PHE 9 -8.735 0.217 6.895 81 H ALA 10 H ALA 10 -6.516 -7.313 8.232 82 HA ALA 10 HA ALA 10 -4.429 -8.259 9.844 83 HB1 ALA 10 3HB ALA 10 -6.701 -9.130 9.986 84 HB2 ALA 10 1HB ALA 10 -5.548 -10.438 9.732 85 HB3 ALA 10 2HB ALA 10 -6.539 -9.860 8.389 86 H VAL 11 H VAL 11 -4.860 -8.445 6.376 87 HA VAL 11 HA VAL 11 -2.742 -10.380 5.969 88 HB VAL 11 HB VAL 11 -4.123 -8.559 3.976 89 HG11 VAL 11 1HG1 VAL 11 -2.303 -10.928 3.514 90 HG12 VAL 11 2HG1 VAL 11 -1.950 -9.241 3.139 91 HG13 VAL 11 3HG1 VAL 11 -3.222 -10.093 2.261 92 HG21 VAL 11 3HG2 VAL 11 -5.671 -10.140 5.023 93 HG22 VAL 11 1HG2 VAL 11 -4.599 -11.480 4.613 94 HG23 VAL 11 2HG2 VAL 11 -5.395 -10.563 3.333 95 H ILE 12 H ILE 12 -3.108 -6.863 5.655 96 HA ILE 12 HA ILE 12 -0.685 -6.220 4.464 97 HB ILE 12 HB ILE 12 -2.262 -4.603 6.481 98 HG12 ILE 12 2HG1 ILE 12 -2.233 -4.501 3.449 99 HG13 ILE 12 1HG1 ILE 12 -3.496 -5.248 4.421 100 HG21 ILE 12 1HG2 ILE 12 -1.106 -2.637 5.553 101 HG22 ILE 12 2HG2 ILE 12 -0.093 -3.701 4.578 102 HG23 ILE 12 3HG2 ILE 12 0.014 -3.751 6.338 103 HD11 ILE 12 3HD1 ILE 12 -4.163 -3.052 3.638 104 HD12 ILE 12 1HD1 ILE 12 -2.759 -2.326 4.421 105 HD13 ILE 12 2HD1 ILE 12 -4.028 -3.072 5.395 106 H HIS 13 H HIS 13 -1.345 -6.802 7.907 107 HA HIS 13 HA HIS 13 1.035 -5.869 9.007 108 HB2 HIS 13 2HB HIS 13 -0.770 -8.135 9.841 109 HB3 HIS 13 1HB HIS 13 0.654 -7.696 10.777 110 HD2 HIS 13 HD2 HIS 13 -2.985 -6.682 10.370 111 HE1 HIS 13 HE1 HIS 13 -1.079 -3.683 12.672 112 HE2 HIS 13 HE2 HIS 13 -3.299 -4.721 12.034 113 H GLN 14 H GLN 14 0.654 -8.630 6.949 114 HA GLN 14 HA GLN 14 3.028 -10.000 7.835 115 HB2 GLN 14 2HB GLN 14 1.154 -10.340 5.518 116 HB3 GLN 14 1HB GLN 14 2.702 -11.172 5.512 117 HG2 GLN 14 2HG GLN 14 0.959 -12.628 6.345 118 HG3 GLN 14 1HG GLN 14 2.127 -12.278 7.615 119 HE21 GLN 14 1HE2 GLN 14 -1.113 -11.774 6.492 120 HE22 GLN 14 2HE2 GLN 14 -1.740 -11.147 7.974 121 H ILE 15 H ILE 15 2.445 -7.379 5.657 122 HA ILE 15 HA ILE 15 4.687 -7.756 3.931 123 HB ILE 15 HB ILE 15 3.259 -5.154 4.528 124 HG12 ILE 15 2HG1 ILE 15 2.589 -7.247 2.433 125 HG13 ILE 15 1HG1 ILE 15 1.654 -6.932 3.891 126 HG21 ILE 15 1HG2 ILE 15 4.005 -4.493 2.303 127 HG22 ILE 15 2HG2 ILE 15 4.791 -6.055 2.083 128 HG23 ILE 15 3HG2 ILE 15 5.384 -4.934 3.311 129 HD11 ILE 15 3HD1 ILE 15 0.629 -5.908 1.951 130 HD12 ILE 15 1HD1 ILE 15 2.103 -4.995 1.630 131 HD13 ILE 15 2HD1 ILE 15 1.170 -4.677 3.093 132 HA PRO 16 HA PRO 16 7.675 -6.225 6.976 133 HB2 PRO 16 2HB PRO 16 9.913 -6.888 5.638 134 HB3 PRO 16 1HB PRO 16 8.883 -8.112 6.395 135 HG2 PRO 16 2HG PRO 16 9.036 -7.275 3.520 136 HG3 PRO 16 1HG PRO 16 8.924 -8.909 4.202 137 HD2 PRO 16 2HD PRO 16 6.782 -7.514 3.193 138 HD3 PRO 16 1HD PRO 16 6.642 -8.786 4.421 139 H LYS 17 H LYS 17 9.593 -4.741 6.962 140 HA LYS 17 HA LYS 17 8.971 -2.283 5.712 141 HB2 LYS 17 2HB LYS 17 10.213 -2.524 7.871 142 HB3 LYS 17 1HB LYS 17 11.611 -3.092 6.965 143 HG2 LYS 17 2HG LYS 17 11.601 -0.909 5.734 144 HG3 LYS 17 1HG LYS 17 10.339 -0.361 6.838 145 HD2 LYS 17 2HD LYS 17 11.884 -0.773 8.741 146 HD3 LYS 17 1HD LYS 17 13.144 -1.209 7.586 147 HE2 LYS 17 2HE LYS 17 13.542 1.053 8.176 148 HE3 LYS 17 1HE LYS 17 12.831 1.085 6.562 149 HZ1 LYS 17 3HZ LYS 17 11.391 1.608 9.105 150 HZ2 LYS 17 1HZ LYS 17 10.696 1.618 7.566 151 HZ3 LYS 17 2HZ LYS 17 11.859 2.774 7.973 152 H GLY 18 H GLY 18 9.684 -1.326 3.867 153 HA2 GLY 18 2HA GLY 18 11.076 -0.920 2.034 154 HA3 GLY 18 1HA GLY 18 12.029 -2.329 2.462 155 H LYS 19 H LYS 19 8.867 -3.298 2.494 156 HA LYS 19 HA LYS 19 8.916 -4.062 -0.361 157 HB2 LYS 19 2HB LYS 19 7.840 -5.601 2.010 158 HB3 LYS 19 1HB LYS 19 7.577 -6.065 0.335 159 HG2 LYS 19 2HG LYS 19 10.239 -5.894 1.747 160 HG3 LYS 19 1HG LYS 19 9.369 -7.367 1.314 161 HD2 LYS 19 2HD LYS 19 9.528 -6.612 -1.099 162 HD3 LYS 19 1HD LYS 19 10.624 -5.345 -0.546 163 HE2 LYS 19 2HE LYS 19 11.047 -8.318 -0.207 164 HE3 LYS 19 1HE LYS 19 11.845 -7.297 -1.401 165 HZ1 LYS 19 3HZ LYS 19 12.934 -6.096 0.339 166 HZ2 LYS 19 1HZ LYS 19 13.210 -7.744 0.582 167 HZ3 LYS 19 2HZ LYS 19 12.081 -6.926 1.538 168 H VAL 20 H VAL 20 7.043 -3.947 -1.547 169 HA VAL 20 HA VAL 20 4.621 -2.871 -0.258 170 HB VAL 20 HB VAL 20 4.198 -1.506 -2.308 171 HG11 VAL 20 1HG1 VAL 20 5.745 0.311 -1.742 172 HG12 VAL 20 2HG1 VAL 20 6.725 -0.820 -0.806 173 HG13 VAL 20 3HG1 VAL 20 5.077 -0.453 -0.298 174 HG21 VAL 20 3HG2 VAL 20 7.065 -2.204 -2.982 175 HG22 VAL 20 1HG2 VAL 20 6.086 -0.989 -3.807 176 HG23 VAL 20 2HG2 VAL 20 5.630 -2.690 -3.885 177 H SER 21 H SER 21 2.643 -3.448 -1.240 178 HA SER 21 HA SER 21 2.779 -5.520 -3.342 179 HB2 SER 21 2HB SER 21 0.976 -6.768 -2.224 180 HB3 SER 21 1HB SER 21 2.383 -6.622 -1.170 181 HG SER 21 HG SER 21 1.281 -4.826 -0.172 182 H THR 22 H THR 22 0.635 -5.839 -4.451 183 HA THR 22 HA THR 22 -0.519 -3.210 -5.016 184 HB THR 22 HB THR 22 -1.579 -4.242 -6.950 185 HG1 THR 22 HG1 THR 22 -0.373 -6.712 -6.195 186 HG21 THR 22 3HG2 THR 22 0.761 -3.544 -7.198 187 HG22 THR 22 1HG2 THR 22 0.416 -4.964 -8.188 188 HG23 THR 22 2HG2 THR 22 1.299 -5.140 -6.670 189 H TYR 23 H TYR 23 -2.696 -2.678 -4.825 190 HA TYR 23 HA TYR 23 -4.263 -3.645 -2.782 191 HB2 TYR 23 2HB TYR 23 -5.259 -2.471 -5.394 192 HB3 TYR 23 1HB TYR 23 -6.207 -2.608 -3.919 193 HD1 TYR 23 HD2 TYR 23 -4.695 -1.584 -1.792 194 HD2 TYR 23 HD1 TYR 23 -4.624 -0.309 -5.850 195 HE1 TYR 23 HE2 TYR 23 -3.903 0.628 -1.079 196 HE2 TYR 23 HE1 TYR 23 -3.831 1.908 -5.144 197 HH TYR 23 HH TYR 23 -2.731 2.537 -1.960 198 H GLY 24 H GLY 24 -4.118 -4.808 -6.105 199 HA2 GLY 24 2HA GLY 24 -6.346 -6.511 -6.095 200 HA3 GLY 24 1HA GLY 24 -4.940 -6.683 -7.130 201 H GLU 25 H GLU 25 -2.987 -7.149 -5.106 202 HA GLU 25 HA GLU 25 -3.354 -9.948 -4.716 203 HB2 GLU 25 2HB GLU 25 -1.264 -8.038 -3.646 204 HB3 GLU 25 1HB GLU 25 -1.206 -9.782 -3.412 205 HG2 GLU 25 2HG GLU 25 -1.059 -10.134 -5.801 206 HG3 GLU 25 1HG GLU 25 -1.230 -8.405 -6.096 207 H ILE 26 H ILE 26 -3.233 -7.223 -2.402 208 HA ILE 26 HA ILE 26 -3.718 -8.723 -0.072 209 HB ILE 26 HB ILE 26 -4.506 -5.850 -0.637 210 HG12 ILE 26 2HG1 ILE 26 -2.108 -6.238 -0.958 211 HG13 ILE 26 1HG1 ILE 26 -2.388 -5.271 0.484 212 HG21 ILE 26 1HG2 ILE 26 -4.451 -5.567 1.816 213 HG22 ILE 26 2HG2 ILE 26 -4.201 -7.304 1.996 214 HG23 ILE 26 3HG2 ILE 26 -5.703 -6.698 1.298 215 HD11 ILE 26 3HD1 ILE 26 -1.747 -8.211 0.413 216 HD12 ILE 26 1HD1 ILE 26 -2.054 -7.264 1.869 217 HD13 ILE 26 2HD1 ILE 26 -0.652 -6.904 0.862 218 H ALA 27 H ALA 27 -6.024 -7.009 -2.193 219 HA ALA 27 HA ALA 27 -8.380 -7.731 -0.844 220 HB1 ALA 27 3HB ALA 27 -9.532 -7.176 -2.920 221 HB2 ALA 27 1HB ALA 27 -7.999 -7.208 -3.793 222 HB3 ALA 27 2HB ALA 27 -8.286 -5.985 -2.554 223 H LYS 28 H LYS 28 -6.693 -9.358 -3.529 224 HA LYS 28 HA LYS 28 -8.419 -11.490 -3.977 225 HB2 LYS 28 2HB LYS 28 -6.559 -11.061 -5.442 226 HB3 LYS 28 1HB LYS 28 -5.403 -11.339 -4.149 227 HG2 LYS 28 2HG LYS 28 -5.991 -13.701 -4.098 228 HG3 LYS 28 1HG LYS 28 -7.214 -13.438 -5.345 229 HD2 LYS 28 2HD LYS 28 -5.476 -12.750 -6.923 230 HD3 LYS 28 1HD LYS 28 -4.245 -12.959 -5.676 231 HE2 LYS 28 2HE LYS 28 -6.024 -15.171 -6.703 232 HE3 LYS 28 1HE LYS 28 -4.392 -14.855 -7.287 233 HZ1 LYS 28 3HZ LYS 28 -3.538 -15.290 -5.092 234 HZ2 LYS 28 1HZ LYS 28 -4.459 -16.607 -5.615 235 HZ3 LYS 28 2HZ LYS 28 -5.096 -15.527 -4.482 236 H MET 29 H MET 29 -5.650 -11.380 -1.736 237 HA MET 29 HA MET 29 -6.098 -13.991 -0.674 238 HB2 MET 29 2HB MET 29 -4.396 -11.668 0.237 239 HB3 MET 29 1HB MET 29 -4.419 -13.214 1.072 240 HG2 MET 29 2HG MET 29 -3.647 -14.340 -0.940 241 HG3 MET 29 1HG MET 29 -3.680 -12.815 -1.821 242 HE1 MET 29 3HE MET 29 -2.470 -10.772 0.398 243 HE2 MET 29 1HE MET 29 -2.120 -10.799 -1.331 244 HE3 MET 29 2HE MET 29 -0.800 -10.803 -0.166 245 H ALA 30 H ALA 30 -7.257 -10.808 0.205 246 HA ALA 30 HA ALA 30 -8.256 -11.547 2.789 247 HB1 ALA 30 3HB ALA 30 -9.426 -9.412 2.738 248 HB2 ALA 30 1HB ALA 30 -9.074 -9.241 1.017 249 HB3 ALA 30 2HB ALA 30 -7.760 -9.216 2.194 250 H GLY 31 H GLY 31 -9.512 -11.698 -0.477 251 HA2 GLY 31 2HA GLY 31 -11.244 -13.316 -0.997 252 HA3 GLY 31 1HA GLY 31 -11.984 -12.965 0.555 253 H TYR 32 H TYR 32 -10.853 -10.239 -1.196 254 HA TYR 32 HA TYR 32 -13.529 -9.700 -2.323 255 HB2 TYR 32 2HB TYR 32 -11.859 -7.670 -0.810 256 HB3 TYR 32 1HB TYR 32 -13.450 -7.403 -1.506 257 HD1 TYR 32 HD2 TYR 32 -11.602 -9.039 1.225 258 HD2 TYR 32 HD1 TYR 32 -15.451 -8.115 -0.349 259 HE1 TYR 32 HE2 TYR 32 -12.624 -9.664 3.371 260 HE2 TYR 32 HE1 TYR 32 -16.476 -8.732 1.799 261 HH TYR 32 HH TYR 32 -15.971 -10.105 3.762 262 HA PRO 33 HA PRO 33 -9.721 -9.181 -5.202 263 HB2 PRO 33 2HB PRO 33 -11.772 -10.278 -7.090 264 HB3 PRO 33 1HB PRO 33 -10.044 -10.640 -6.964 265 HG2 PRO 33 2HG PRO 33 -11.814 -12.362 -6.014 266 HG3 PRO 33 1HG PRO 33 -10.336 -12.011 -5.096 267 HD2 PRO 33 2HD PRO 33 -13.133 -11.035 -4.629 268 HD3 PRO 33 1HD PRO 33 -11.904 -11.545 -3.453 269 H GLY 34 H GLY 34 -13.139 -8.367 -5.848 270 HA2 GLY 34 2HA GLY 34 -12.462 -6.366 -7.827 271 HA3 GLY 34 1HA GLY 34 -14.063 -6.712 -7.198 272 H TYR 35 H TYR 35 -12.171 -6.291 -4.551 273 HA TYR 35 HA TYR 35 -13.154 -3.557 -4.211 274 HB2 TYR 35 2HB TYR 35 -12.363 -5.723 -2.288 275 HB3 TYR 35 1HB TYR 35 -12.504 -4.053 -1.755 276 HD1 TYR 35 HD1 TYR 35 -14.514 -6.483 -3.797 277 HD2 TYR 35 HD2 TYR 35 -14.506 -3.484 -0.769 278 HE1 TYR 35 HE1 TYR 35 -16.936 -6.774 -3.505 279 HE2 TYR 35 HE2 TYR 35 -16.929 -3.772 -0.472 280 HH TYR 35 HH TYR 35 -18.839 -4.591 -1.615 281 H ALA 36 H ALA 36 -10.394 -4.660 -5.412 282 HA ALA 36 HA ALA 36 -8.249 -3.653 -4.010 283 HB1 ALA 36 3HB ALA 36 -7.130 -3.331 -6.158 284 HB2 ALA 36 1HB ALA 36 -8.682 -3.403 -6.996 285 HB3 ALA 36 2HB ALA 36 -8.059 -4.829 -6.166 286 H ARG 37 H ARG 37 -10.258 -1.830 -6.302 287 HA ARG 37 HA ARG 37 -9.349 0.749 -5.927 288 HB2 ARG 37 2HB ARG 37 -11.778 1.386 -6.448 289 HB3 ARG 37 1HB ARG 37 -10.961 0.350 -7.614 290 HG2 ARG 37 2HG ARG 37 -12.052 -1.619 -6.561 291 HG3 ARG 37 1HG ARG 37 -12.940 -0.518 -5.508 292 HD2 ARG 37 2HD ARG 37 -14.079 0.457 -7.384 293 HD3 ARG 37 1HD ARG 37 -13.068 -0.433 -8.524 294 HE ARG 37 HE ARG 37 -14.231 -2.410 -7.107 295 HH11 ARG 37 1HH1 ARG 37 -15.525 0.356 -8.720 296 HH12 ARG 37 2HH1 ARG 37 -17.011 -0.440 -9.104 297 HH21 ARG 37 1HH2 ARG 37 -16.150 -3.400 -7.608 298 HH22 ARG 37 2HH2 ARG 37 -17.361 -2.525 -8.480 299 H HIS 38 H HIS 38 -11.702 -1.034 -3.942 300 HA HIS 38 HA HIS 38 -12.310 1.187 -2.254 301 HB2 HIS 38 2HB HIS 38 -12.869 -1.767 -1.901 302 HB3 HIS 38 1HB HIS 38 -13.504 -0.498 -0.859 303 HD2 HIS 38 HD2 HIS 38 -14.313 -2.238 -4.171 304 HE1 HIS 38 HE1 HIS 38 -16.855 1.127 -3.844 305 HE2 HIS 38 HE2 HIS 38 -16.494 -1.099 -4.990 306 H VAL 39 H VAL 39 -9.893 -1.350 -2.159 307 HA VAL 39 HA VAL 39 -9.095 -1.077 0.536 308 HB VAL 39 HB VAL 39 -7.332 -1.733 -1.844 309 HG11 VAL 39 1HG1 VAL 39 -6.021 -1.104 0.111 310 HG12 VAL 39 2HG1 VAL 39 -5.877 -2.836 -0.189 311 HG13 VAL 39 3HG1 VAL 39 -6.918 -2.250 1.110 312 HG21 VAL 39 3HG2 VAL 39 -7.715 -4.089 -1.232 313 HG22 VAL 39 1HG2 VAL 39 -9.208 -3.277 -1.705 314 HG23 VAL 39 2HG2 VAL 39 -8.869 -3.576 -0.001 315 H GLY 40 H GLY 40 -7.946 0.568 -2.420 316 HA2 GLY 40 2HA GLY 40 -6.129 2.353 -1.247 317 HA3 GLY 40 1HA GLY 40 -7.037 2.668 -2.719 318 H LYS 41 H LYS 41 -9.635 2.732 -1.750 319 HA LYS 41 HA LYS 41 -9.876 5.295 -0.581 320 HB2 LYS 41 2HB LYS 41 -11.893 3.048 -0.837 321 HB3 LYS 41 1HB LYS 41 -12.297 4.668 -0.280 322 HG2 LYS 41 2HG LYS 41 -11.574 5.587 -2.437 323 HG3 LYS 41 1HG LYS 41 -11.175 3.959 -2.991 324 HD2 LYS 41 2HD LYS 41 -13.462 3.281 -2.922 325 HD3 LYS 41 1HD LYS 41 -13.937 4.744 -2.058 326 HE2 LYS 41 2HE LYS 41 -14.600 4.907 -4.383 327 HE3 LYS 41 1HE LYS 41 -13.342 6.090 -4.035 328 HZ1 LYS 41 3HZ LYS 41 -11.731 4.469 -4.999 329 HZ2 LYS 41 1HZ LYS 41 -12.852 5.080 -6.111 330 HZ3 LYS 41 2HZ LYS 41 -13.046 3.523 -5.490 331 H ALA 42 H ALA 42 -9.933 2.053 0.811 332 HA ALA 42 HA ALA 42 -10.795 2.766 3.411 333 HB1 ALA 42 3HB ALA 42 -9.172 0.384 2.516 334 HB2 ALA 42 1HB ALA 42 -10.932 0.483 2.571 335 HB3 ALA 42 2HB ALA 42 -9.998 0.544 4.066 336 H LEU 43 H LEU 43 -7.531 2.323 2.037 337 HA LEU 43 HA LEU 43 -6.114 2.716 4.445 338 HB2 LEU 43 2HB LEU 43 -5.197 3.296 1.624 339 HB3 LEU 43 1HB LEU 43 -4.153 3.135 3.024 340 HG LEU 43 HG LEU 43 -5.790 0.960 1.713 341 HD11 LEU 43 1HD1 LEU 43 -2.810 1.325 2.028 342 HD12 LEU 43 2HD1 LEU 43 -3.737 1.493 0.537 343 HD13 LEU 43 3HD1 LEU 43 -3.606 -0.081 1.318 344 HD21 LEU 43 3HD2 LEU 43 -4.842 -0.567 3.384 345 HD22 LEU 43 1HD2 LEU 43 -5.877 0.653 4.126 346 HD23 LEU 43 2HD2 LEU 43 -4.123 0.805 4.228 347 H GLY 44 H GLY 44 -7.482 4.983 2.145 348 HA2 GLY 44 2HA GLY 44 -6.140 7.330 2.918 349 HA3 GLY 44 1HA GLY 44 -7.750 7.267 2.223 350 H ASN 45 H ASN 45 -8.435 5.471 4.671 351 HA ASN 45 HA ASN 45 -9.414 7.585 6.364 352 HB2 ASN 45 2HB ASN 45 -10.718 5.536 5.955 353 HB3 ASN 45 1HB ASN 45 -9.459 4.574 6.716 354 HD21 ASN 45 1HD2 ASN 45 -12.039 6.833 7.244 355 HD22 ASN 45 2HD2 ASN 45 -12.156 6.597 8.951 356 H LEU 46 H LEU 46 -6.567 5.671 6.266 357 HA LEU 46 HA LEU 46 -6.034 5.856 9.125 358 HB2 LEU 46 2HB LEU 46 -4.492 4.586 6.861 359 HB3 LEU 46 1HB LEU 46 -4.000 4.531 8.543 360 HG LEU 46 HG LEU 46 -6.591 3.379 7.486 361 HD11 LEU 46 1HD1 LEU 46 -4.001 1.994 8.183 362 HD12 LEU 46 2HD1 LEU 46 -4.717 2.143 6.577 363 HD13 LEU 46 3HD1 LEU 46 -5.528 1.188 7.818 364 HD21 LEU 46 3HD2 LEU 46 -6.710 4.037 9.832 365 HD22 LEU 46 1HD2 LEU 46 -5.243 3.120 10.178 366 HD23 LEU 46 2HD2 LEU 46 -6.711 2.282 9.673 367 HA PRO 47 HA PRO 47 -3.473 9.482 8.607 368 HB2 PRO 47 2HB PRO 47 -2.642 9.744 11.140 369 HB3 PRO 47 1HB PRO 47 -4.334 10.001 10.698 370 HG2 PRO 47 2HG PRO 47 -3.050 7.600 11.950 371 HG3 PRO 47 1HG PRO 47 -4.593 8.381 12.347 372 HD2 PRO 47 2HD PRO 47 -4.352 6.126 10.772 373 HD3 PRO 47 1HD PRO 47 -5.718 7.255 10.698 374 H GLU 48 H GLU 48 -1.195 10.192 9.407 375 HA GLU 48 HA GLU 48 0.672 8.190 8.430 376 HB2 GLU 48 2HB GLU 48 2.325 10.079 8.459 377 HB3 GLU 48 1HB GLU 48 0.925 10.340 7.436 378 HG2 GLU 48 2HG GLU 48 1.038 11.440 10.225 379 HG3 GLU 48 1HG GLU 48 1.785 12.285 8.872 380 H GLY 49 H GLY 49 -0.504 8.090 11.227 381 HA2 GLY 49 2HA GLY 49 2.046 7.426 12.519 382 HA3 GLY 49 1HA GLY 49 0.976 8.534 13.366 383 H SER 50 H SER 50 -0.008 5.745 11.432 384 HA SER 50 HA SER 50 -1.615 4.777 13.656 385 HB2 SER 50 2HB SER 50 -2.686 4.840 11.485 386 HB3 SER 50 1HB SER 50 -1.408 3.852 10.776 387 HG SER 50 HG SER 50 -3.572 3.110 12.352 388 H LYS 51 H LYS 51 -1.762 2.430 14.073 389 HA LYS 51 HA LYS 51 0.838 1.243 14.555 390 HB2 LYS 51 2HB LYS 51 -0.549 -0.579 15.631 391 HB3 LYS 51 1HB LYS 51 -0.754 1.027 16.321 392 HG2 LYS 51 2HG LYS 51 -2.838 1.313 15.085 393 HG3 LYS 51 1HG LYS 51 -2.631 -0.277 14.348 394 HD2 LYS 51 2HD LYS 51 -2.832 -1.354 16.504 395 HD3 LYS 51 1HD LYS 51 -2.870 0.210 17.322 396 HE2 LYS 51 2HE LYS 51 -4.939 -0.744 15.335 397 HE3 LYS 51 1HE LYS 51 -5.107 -0.852 17.086 398 HZ1 LYS 51 3HZ LYS 51 -4.804 1.666 15.534 399 HZ2 LYS 51 1HZ LYS 51 -4.953 1.560 17.214 400 HZ3 LYS 51 2HZ LYS 51 -6.235 1.092 16.220 401 H LEU 52 H LEU 52 -1.377 1.189 12.034 402 HA LEU 52 HA LEU 52 -0.417 -1.411 11.014 403 HB2 LEU 52 2HB LEU 52 -2.822 -1.311 11.153 404 HB3 LEU 52 1HB LEU 52 -2.854 0.250 10.356 405 HG LEU 52 HG LEU 52 -1.968 -0.892 8.281 406 HD11 LEU 52 1HD1 LEU 52 -2.263 -3.315 8.105 407 HD12 LEU 52 2HD1 LEU 52 -2.657 -3.393 9.823 408 HD13 LEU 52 3HD1 LEU 52 -1.046 -2.894 9.308 409 HD21 LEU 52 3HD2 LEU 52 -4.309 -0.273 8.523 410 HD22 LEU 52 1HD2 LEU 52 -4.646 -1.806 9.329 411 HD23 LEU 52 2HD2 LEU 52 -4.146 -1.789 7.637 412 HA PRO 53 HA PRO 53 1.802 1.194 8.039 413 HB2 PRO 53 2HB PRO 53 3.172 -0.776 6.787 414 HB3 PRO 53 1HB PRO 53 3.638 -0.170 8.379 415 HG2 PRO 53 2HG PRO 53 2.127 -2.654 7.666 416 HG3 PRO 53 1HG PRO 53 3.390 -2.424 8.888 417 HD2 PRO 53 2HD PRO 53 0.703 -2.489 9.456 418 HD3 PRO 53 1HD PRO 53 1.901 -1.644 10.452 419 H TRP 54 H TRP 54 -0.011 1.822 6.861 420 HA TRP 54 HA TRP 54 -1.334 0.006 5.034 421 HB2 TRP 54 2HB TRP 54 -2.682 2.090 4.478 422 HB3 TRP 54 1HB TRP 54 -2.758 1.548 6.152 423 HD1 TRP 54 HD1 TRP 54 -1.608 3.107 8.008 424 HE1 TRP 54 HE1 TRP 54 -0.861 5.570 7.974 425 HE3 TRP 54 HE3 TRP 54 -1.721 3.921 2.964 426 HZ2 TRP 54 HZ2 TRP 54 -0.361 7.577 6.069 427 HZ3 TRP 54 HZ3 TRP 54 -1.094 6.143 2.117 428 HH2 TRP 54 HH2 TRP 54 -0.430 7.934 3.637 429 H PHE 55 H PHE 55 0.946 2.632 4.847 430 HA PHE 55 HA PHE 55 0.840 3.276 2.154 431 HB2 PHE 55 2HB PHE 55 3.314 3.935 2.549 432 HB3 PHE 55 1HB PHE 55 2.059 4.736 3.486 433 HD1 PHE 55 HD1 PHE 55 4.816 2.311 3.610 434 HD2 PHE 55 HD2 PHE 55 1.847 4.384 5.852 435 HE1 PHE 55 HE1 PHE 55 5.944 1.670 5.697 436 HE2 PHE 55 HE2 PHE 55 2.972 3.745 7.939 437 HZ PHE 55 HZ PHE 55 5.021 2.390 7.864 438 H ARG 56 H ARG 56 2.047 0.373 3.553 439 HA ARG 56 HA ARG 56 3.937 -0.291 1.507 440 HB2 ARG 56 2HB ARG 56 2.589 -1.991 3.615 441 HB3 ARG 56 1HB ARG 56 3.841 -2.586 2.531 442 HG2 ARG 56 2HG ARG 56 5.412 -0.931 3.443 443 HG3 ARG 56 1HG ARG 56 4.154 -0.352 4.538 444 HD2 ARG 56 2HD ARG 56 4.062 -2.545 5.617 445 HD3 ARG 56 1HD ARG 56 5.276 -3.164 4.496 446 HE ARG 56 HE ARG 56 6.522 -1.058 5.634 447 HH11 ARG 56 1HH1 ARG 56 4.939 -3.831 6.953 448 HH12 ARG 56 2HH1 ARG 56 5.887 -3.801 8.398 449 HH21 ARG 56 1HH2 ARG 56 7.746 -1.080 7.457 450 HH22 ARG 56 2HH2 ARG 56 7.462 -2.271 8.679 451 H VAL 57 H VAL 57 0.720 0.057 1.156 452 HA VAL 57 HA VAL 57 0.579 -2.069 -0.895 453 HB VAL 57 HB VAL 57 -1.810 -0.914 0.565 454 HG11 VAL 57 1HG1 VAL 57 -1.557 -3.333 -1.231 455 HG12 VAL 57 2HG1 VAL 57 -2.279 -1.789 -1.682 456 HG13 VAL 57 3HG1 VAL 57 -3.029 -2.782 -0.432 457 HG21 VAL 57 3HG2 VAL 57 -0.431 -2.166 2.149 458 HG22 VAL 57 1HG2 VAL 57 -0.405 -3.548 1.054 459 HG23 VAL 57 2HG2 VAL 57 -1.922 -3.038 1.796 460 H ILE 58 H ILE 58 0.649 -1.247 -2.881 461 HA ILE 58 HA ILE 58 -0.577 1.390 -3.421 462 HB ILE 58 HB ILE 58 1.100 1.690 -5.226 463 HG12 ILE 58 2HG1 ILE 58 2.400 -0.768 -4.008 464 HG13 ILE 58 1HG1 ILE 58 1.662 -0.678 -5.604 465 HG21 ILE 58 1HG2 ILE 58 2.979 2.265 -3.756 466 HG22 ILE 58 2HG2 ILE 58 2.263 1.301 -2.464 467 HG23 ILE 58 3HG2 ILE 58 1.433 2.740 -3.055 468 HD11 ILE 58 3HD1 ILE 58 4.079 0.873 -4.697 469 HD12 ILE 58 1HD1 ILE 58 3.350 0.931 -6.303 470 HD13 ILE 58 2HD1 ILE 58 4.088 -0.560 -5.723 471 H ASN 59 H ASN 59 -0.477 1.423 -6.192 472 HA ASN 59 HA ASN 59 -2.628 -0.463 -6.731 473 HB2 ASN 59 2HB ASN 59 -3.060 0.852 -8.750 474 HB3 ASN 59 1HB ASN 59 -2.994 1.871 -7.320 475 HD21 ASN 59 1HD2 ASN 59 -2.538 3.719 -8.447 476 HD22 ASN 59 2HD2 ASN 59 -1.034 3.996 -9.244 477 H SER 60 H SER 60 -2.761 -1.339 -9.047 478 HA SER 60 HA SER 60 -0.742 -3.297 -9.295 479 HB2 SER 60 2HB SER 60 -2.885 -2.495 -11.282 480 HB3 SER 60 1HB SER 60 -1.934 -3.980 -11.351 481 HG SER 60 HG SER 60 -3.914 -4.391 -10.358 482 H GLN 61 H GLN 61 -1.111 -0.174 -10.761 483 HA GLN 61 HA GLN 61 0.724 -0.591 -12.929 484 HB2 GLN 61 2HB GLN 61 -0.384 1.943 -11.702 485 HB3 GLN 61 1HB GLN 61 0.565 1.887 -13.181 486 HG2 GLN 61 2HG GLN 61 -1.128 0.697 -14.337 487 HG3 GLN 61 1HG GLN 61 -2.015 0.374 -12.848 488 HE21 GLN 61 1HE2 GLN 61 -1.212 2.780 -15.233 489 HE22 GLN 61 2HE2 GLN 61 -2.439 3.910 -14.783 490 H GLY 62 H GLY 62 1.239 -0.258 -9.637 491 HA2 GLY 62 2HA GLY 62 3.234 -0.126 -8.465 492 HA3 GLY 62 1HA GLY 62 4.076 0.139 -9.983 493 H LYS 63 H LYS 63 1.441 1.979 -8.516 494 HA LYS 63 HA LYS 63 3.215 4.278 -8.072 495 HB2 LYS 63 2HB LYS 63 0.638 4.382 -9.668 496 HB3 LYS 63 1HB LYS 63 1.552 5.789 -9.146 497 HG2 LYS 63 2HG LYS 63 3.406 5.170 -10.560 498 HG3 LYS 63 1HG LYS 63 2.610 3.654 -10.993 499 HD2 LYS 63 2HD LYS 63 2.377 5.338 -12.765 500 HD3 LYS 63 1HD LYS 63 0.810 4.888 -12.091 501 HE2 LYS 63 2HE LYS 63 0.795 6.923 -10.742 502 HE3 LYS 63 1HE LYS 63 2.392 7.357 -11.354 503 HZ1 LYS 63 3HZ LYS 63 1.449 7.485 -13.581 504 HZ2 LYS 63 1HZ LYS 63 0.666 8.547 -12.528 505 HZ3 LYS 63 2HZ LYS 63 -0.082 7.101 -12.976 506 H ILE 64 H ILE 64 1.967 6.069 -6.904 507 HA ILE 64 HA ILE 64 0.432 4.904 -4.728 508 HB ILE 64 HB ILE 64 1.249 7.783 -5.215 509 HG12 ILE 64 2HG1 ILE 64 2.470 5.646 -3.435 510 HG13 ILE 64 1HG1 ILE 64 3.184 6.294 -4.909 511 HG21 ILE 64 1HG2 ILE 64 0.684 8.175 -2.875 512 HG22 ILE 64 2HG2 ILE 64 0.161 6.501 -2.703 513 HG23 ILE 64 3HG2 ILE 64 -0.725 7.596 -3.764 514 HD11 ILE 64 3HD1 ILE 64 3.382 8.482 -3.858 515 HD12 ILE 64 1HD1 ILE 64 4.213 7.241 -2.922 516 HD13 ILE 64 2HD1 ILE 64 2.648 7.846 -2.385 517 H SER 65 H SER 65 -1.745 4.774 -4.724 518 HA SER 65 HA SER 65 -3.295 6.067 -6.794 519 HB2 SER 65 2HB SER 65 -4.084 4.187 -4.563 520 HB3 SER 65 1HB SER 65 -5.246 4.880 -5.696 521 HG SER 65 HG SER 65 -4.328 3.775 -7.340 522 H LEU 66 H LEU 66 -2.393 6.911 -3.632 523 HA LEU 66 HA LEU 66 -4.651 8.632 -3.098 524 HB2 LEU 66 2HB LEU 66 -1.924 8.472 -1.801 525 HB3 LEU 66 1HB LEU 66 -3.243 9.477 -1.231 526 HG LEU 66 HG LEU 66 -3.230 6.452 -1.326 527 HD11 LEU 66 1HD1 LEU 66 -1.822 7.354 0.446 528 HD12 LEU 66 2HD1 LEU 66 -3.271 6.607 1.116 529 HD13 LEU 66 3HD1 LEU 66 -3.153 8.365 1.009 530 HD21 LEU 66 3HD2 LEU 66 -5.386 6.611 -0.141 531 HD22 LEU 66 1HD2 LEU 66 -5.467 7.302 -1.763 532 HD23 LEU 66 2HD2 LEU 66 -5.365 8.361 -0.358 533 H LYS 67 H LYS 67 -4.626 10.933 -3.128 534 HA LYS 67 HA LYS 67 -2.681 12.056 -5.053 535 HB2 LYS 67 2HB LYS 67 -4.520 13.580 -5.766 536 HB3 LYS 67 1HB LYS 67 -4.847 11.881 -6.080 537 HG2 LYS 67 2HG LYS 67 -6.275 11.785 -4.083 538 HG3 LYS 67 1HG LYS 67 -5.958 13.494 -3.781 539 HD2 LYS 67 2HD LYS 67 -8.120 13.179 -4.884 540 HD3 LYS 67 1HD LYS 67 -7.006 14.076 -5.917 541 HE2 LYS 67 2HE LYS 67 -6.499 11.993 -7.144 542 HE3 LYS 67 1HE LYS 67 -7.659 11.131 -6.131 543 HZ1 LYS 67 3HZ LYS 67 -9.425 12.450 -7.018 544 HZ2 LYS 67 1HZ LYS 67 -8.544 11.821 -8.317 545 HZ3 LYS 67 2HZ LYS 67 -8.348 13.437 -7.866 546 H GLY 68 H GLY 68 -2.180 14.322 -4.877 547 HA2 GLY 68 2HA GLY 68 -1.520 16.198 -3.738 548 HA3 GLY 68 1HA GLY 68 -3.070 16.088 -2.928 549 H ARG 69 H ARG 69 -2.776 16.334 -0.825 550 HA ARG 69 HA ARG 69 -0.413 16.028 0.615 551 HB2 ARG 69 2HB ARG 69 -3.271 15.838 1.595 552 HB3 ARG 69 1HB ARG 69 -1.868 16.023 2.640 553 HG2 ARG 69 2HG ARG 69 -1.375 18.182 1.655 554 HG3 ARG 69 1HG ARG 69 -2.714 17.993 0.520 555 HD2 ARG 69 2HD ARG 69 -4.312 18.020 2.333 556 HD3 ARG 69 1HD ARG 69 -3.011 18.055 3.524 557 HE ARG 69 HE ARG 69 -2.419 20.275 2.469 558 HH11 ARG 69 1HH1 ARG 69 -5.644 19.063 2.428 559 HH12 ARG 69 2HH1 ARG 69 -6.356 20.634 2.428 560 HH21 ARG 69 1HH2 ARG 69 -3.356 22.295 2.492 561 HH22 ARG 69 2HH2 ARG 69 -5.079 22.441 2.456 562 H ASP 70 H ASP 70 -3.092 13.732 0.248 563 HA ASP 70 HA ASP 70 -2.135 11.733 1.959 564 HB2 ASP 70 2HB ASP 70 -3.842 11.416 -0.522 565 HB3 ASP 70 1HB ASP 70 -3.700 10.252 0.793 566 H LEU 71 H LEU 71 -1.373 12.414 -1.424 567 HA LEU 71 HA LEU 71 0.071 10.030 -1.965 568 HB2 LEU 71 2HB LEU 71 -0.756 11.675 -3.672 569 HB3 LEU 71 1HB LEU 71 0.519 12.768 -3.178 570 HG LEU 71 HG LEU 71 1.160 10.005 -4.220 571 HD11 LEU 71 1HD1 LEU 71 0.816 12.514 -5.867 572 HD12 LEU 71 2HD1 LEU 71 -0.227 11.092 -5.910 573 HD13 LEU 71 3HD1 LEU 71 1.448 10.971 -6.444 574 HD21 LEU 71 3HD2 LEU 71 3.289 11.077 -4.846 575 HD22 LEU 71 1HD2 LEU 71 2.984 11.178 -3.113 576 HD23 LEU 71 2HD2 LEU 71 2.726 12.590 -4.136 577 H ASP 72 H ASP 72 1.228 13.293 -1.038 578 HA ASP 72 HA ASP 72 3.919 12.627 -0.672 579 HB2 ASP 72 2HB ASP 72 2.210 14.765 0.607 580 HB3 ASP 72 1HB ASP 72 3.946 14.642 0.880 581 H ARG 73 H ARG 73 1.179 12.299 1.515 582 HA ARG 73 HA ARG 73 2.556 11.639 3.873 583 HB2 ARG 73 2HB ARG 73 0.145 12.149 3.796 584 HB3 ARG 73 1HB ARG 73 -0.146 10.660 2.908 585 HG2 ARG 73 2HG ARG 73 0.776 9.413 4.886 586 HG3 ARG 73 1HG ARG 73 0.785 10.946 5.759 587 HD2 ARG 73 2HD ARG 73 -1.658 9.674 4.509 588 HD3 ARG 73 1HD ARG 73 -1.223 9.563 6.213 589 HE ARG 73 HE ARG 73 -1.428 12.092 6.175 590 HH11 ARG 73 1HH1 ARG 73 -3.227 10.063 4.053 591 HH12 ARG 73 2HH1 ARG 73 -4.584 11.131 3.989 592 HH21 ARG 73 1HH2 ARG 73 -3.219 13.434 6.131 593 HH22 ARG 73 2HH2 ARG 73 -4.589 12.990 5.167 594 H GLN 74 H GLN 74 1.104 9.435 1.449 595 HA GLN 74 HA GLN 74 2.140 7.058 2.570 596 HB2 GLN 74 2HB GLN 74 0.242 7.249 0.898 597 HB3 GLN 74 1HB GLN 74 1.462 7.475 -0.351 598 HG2 GLN 74 2HG GLN 74 2.409 5.281 0.171 599 HG3 GLN 74 1HG GLN 74 1.205 5.059 1.437 600 HE21 GLN 74 1HE2 GLN 74 1.658 3.362 -0.802 601 HE22 GLN 74 2HE2 GLN 74 0.199 3.339 -1.720 602 H LYS 75 H LYS 75 3.359 9.190 0.028 603 HA LYS 75 HA LYS 75 5.545 7.727 -0.866 604 HB2 LYS 75 2HB LYS 75 4.813 9.777 -1.967 605 HB3 LYS 75 1HB LYS 75 5.275 10.726 -0.559 606 HG2 LYS 75 2HG LYS 75 7.639 9.919 -0.928 607 HG3 LYS 75 1HG LYS 75 7.083 9.266 -2.469 608 HD2 LYS 75 2HD LYS 75 6.310 11.557 -3.090 609 HD3 LYS 75 1HD LYS 75 7.041 12.157 -1.599 610 HE2 LYS 75 2HE LYS 75 8.451 10.830 -3.911 611 HE3 LYS 75 1HE LYS 75 8.563 12.519 -3.434 612 HZ1 LYS 75 3HZ LYS 75 9.554 10.177 -1.908 613 HZ2 LYS 75 1HZ LYS 75 9.575 11.775 -1.339 614 HZ3 LYS 75 2HZ LYS 75 10.486 11.347 -2.696 615 H GLN 76 H GLN 76 5.637 10.352 1.576 616 HA GLN 76 HA GLN 76 8.335 10.128 2.194 617 HB2 GLN 76 2HB GLN 76 7.831 11.370 4.252 618 HB3 GLN 76 1HB GLN 76 6.957 12.041 2.881 619 HG2 GLN 76 2HG GLN 76 4.920 10.927 3.600 620 HG3 GLN 76 1HG GLN 76 5.783 10.180 4.942 621 HE21 GLN 76 1HE2 GLN 76 4.502 13.162 3.672 622 HE22 GLN 76 2HE2 GLN 76 4.576 14.045 5.156 623 H LYS 77 H LYS 77 5.563 8.384 3.584 624 HA LYS 77 HA LYS 77 6.949 7.045 5.652 625 HB2 LYS 77 2HB LYS 77 4.484 6.274 4.081 626 HB3 LYS 77 1HB LYS 77 5.079 5.346 5.452 627 HG2 LYS 77 2HG LYS 77 4.192 8.229 5.520 628 HG3 LYS 77 1HG LYS 77 3.278 6.840 6.119 629 HD2 LYS 77 2HD LYS 77 5.058 6.378 7.751 630 HD3 LYS 77 1HD LYS 77 5.968 7.764 7.150 631 HE2 LYS 77 2HE LYS 77 4.093 9.236 7.806 632 HE3 LYS 77 1HE LYS 77 3.257 7.836 8.474 633 HZ1 LYS 77 3HZ LYS 77 5.149 7.524 9.988 634 HZ2 LYS 77 1HZ LYS 77 4.381 9.013 10.219 635 HZ3 LYS 77 2HZ LYS 77 5.856 8.941 9.395 636 H LEU 78 H LEU 78 6.354 6.106 2.276 637 HA LEU 78 HA LEU 78 7.691 3.602 2.427 638 HB2 LEU 78 2HB LEU 78 7.069 5.379 0.063 639 HB3 LEU 78 1HB LEU 78 7.705 3.748 -0.071 640 HG LEU 78 HG LEU 78 5.065 4.448 1.232 641 HD11 LEU 78 1HD1 LEU 78 5.622 3.299 -1.501 642 HD12 LEU 78 2HD1 LEU 78 4.971 4.901 -1.151 643 HD13 LEU 78 3HD1 LEU 78 4.031 3.464 -0.757 644 HD21 LEU 78 3HD2 LEU 78 4.666 2.022 1.125 645 HD22 LEU 78 1HD2 LEU 78 6.051 2.421 2.137 646 HD23 LEU 78 2HD2 LEU 78 6.301 1.787 0.510 647 H GLU 79 H GLU 79 8.780 6.867 1.651 648 HA GLU 79 HA GLU 79 11.418 6.329 0.888 649 HB2 GLU 79 2HB GLU 79 10.358 8.636 2.550 650 HB3 GLU 79 1HB GLU 79 11.925 8.603 1.757 651 HG2 GLU 79 2HG GLU 79 9.301 8.408 0.291 652 HG3 GLU 79 1HG GLU 79 10.155 9.919 0.576 653 H ALA 80 H ALA 80 9.958 6.668 4.098 654 HA ALA 80 HA ALA 80 12.309 6.346 5.636 655 HB1 ALA 80 3HB ALA 80 10.233 7.285 6.533 656 HB2 ALA 80 1HB ALA 80 10.803 5.930 7.509 657 HB3 ALA 80 2HB ALA 80 9.455 5.709 6.391 658 H GLU 81 H GLU 81 10.348 4.061 3.938 659 HA GLU 81 HA GLU 81 11.327 1.742 5.388 660 HB2 GLU 81 2HB GLU 81 9.777 1.864 2.789 661 HB3 GLU 81 1HB GLU 81 10.014 0.442 3.799 662 HG2 GLU 81 2HG GLU 81 8.533 2.924 4.649 663 HG3 GLU 81 1HG GLU 81 7.773 1.469 4.012 664 H GLY 82 H GLY 82 12.566 3.737 2.987 665 HA2 GLY 82 2HA GLY 82 14.658 3.516 1.939 666 HA3 GLY 82 1HA GLY 82 14.638 1.795 2.291 667 H ILE 83 H ILE 83 11.899 3.359 0.803 668 HA ILE 83 HA ILE 83 12.333 1.742 -1.618 669 HB ILE 83 HB ILE 83 9.799 3.020 -0.555 670 HG12 ILE 83 2HG1 ILE 83 10.694 0.119 -0.579 671 HG13 ILE 83 1HG1 ILE 83 10.655 1.162 0.838 672 HG21 ILE 83 1HG2 ILE 83 9.731 2.833 -2.985 673 HG22 ILE 83 2HG2 ILE 83 8.639 1.658 -2.252 674 HG23 ILE 83 3HG2 ILE 83 10.199 1.135 -2.889 675 HD11 ILE 83 3HD1 ILE 83 8.757 -0.319 0.815 676 HD12 ILE 83 1HD1 ILE 83 8.286 0.266 -0.780 677 HD13 ILE 83 2HD1 ILE 83 8.223 1.350 0.610 678 H GLU 84 H GLU 84 12.143 2.632 -3.699 679 HA GLU 84 HA GLU 84 12.758 5.471 -3.882 680 HB2 GLU 84 2HB GLU 84 12.668 3.324 -6.010 681 HB3 GLU 84 1HB GLU 84 13.206 4.978 -6.270 682 HG2 GLU 84 2HG GLU 84 15.083 4.644 -4.787 683 HG3 GLU 84 1HG GLU 84 14.510 3.025 -4.380 684 H VAL 85 H VAL 85 10.756 6.539 -3.516 685 HA VAL 85 HA VAL 85 8.638 6.018 -5.482 686 HB VAL 85 HB VAL 85 8.604 8.084 -3.270 687 HG11 VAL 85 1HG1 VAL 85 6.388 6.873 -4.937 688 HG12 VAL 85 2HG1 VAL 85 7.014 8.517 -5.067 689 HG13 VAL 85 3HG1 VAL 85 6.163 8.011 -3.607 690 HG21 VAL 85 3HG2 VAL 85 7.553 5.247 -3.242 691 HG22 VAL 85 1HG2 VAL 85 7.231 6.462 -2.002 692 HG23 VAL 85 2HG2 VAL 85 8.877 5.888 -2.269 693 H SER 86 H SER 86 9.305 6.804 -7.401 694 HA SER 86 HA SER 86 10.916 9.013 -7.887 695 HB2 SER 86 2HB SER 86 8.814 7.825 -9.713 696 HB3 SER 86 1HB SER 86 10.117 8.898 -10.217 697 HG SER 86 HG SER 86 11.218 7.132 -10.449 698 H GLU 87 H GLU 87 10.467 11.031 -8.836 699 HA GLU 87 HA GLU 87 9.158 12.752 -7.247 700 HB2 GLU 87 2HB GLU 87 9.293 14.395 -9.114 701 HB3 GLU 87 1HB GLU 87 10.775 13.489 -8.838 702 HG2 GLU 87 2HG GLU 87 10.125 11.979 -10.720 703 HG3 GLU 87 1HG GLU 87 8.767 13.053 -11.043 704 H ILE 88 H ILE 88 7.586 11.159 -10.007 705 HA ILE 88 HA ILE 88 5.218 12.841 -9.657 706 HB ILE 88 HB ILE 88 4.350 11.692 -11.693 707 HG12 ILE 88 2HG1 ILE 88 6.301 10.532 -13.045 708 HG13 ILE 88 1HG1 ILE 88 6.965 10.216 -11.448 709 HG21 ILE 88 1HG2 ILE 88 7.057 13.003 -11.950 710 HG22 ILE 88 2HG2 ILE 88 5.500 13.824 -11.840 711 HG23 ILE 88 3HG2 ILE 88 5.871 12.828 -13.246 712 HD11 ILE 88 3HD1 ILE 88 5.713 8.315 -12.253 713 HD12 ILE 88 1HD1 ILE 88 4.279 9.318 -12.474 714 HD13 ILE 88 2HD1 ILE 88 4.905 9.019 -10.853 715 H GLY 89 H GLY 89 6.138 10.447 -7.872 716 HA2 GLY 89 2HA GLY 89 4.890 9.158 -6.383 717 HA3 GLY 89 1HA GLY 89 3.453 9.478 -7.340 718 H LYS 90 H LYS 90 6.558 8.016 -8.313 719 HA LYS 90 HA LYS 90 5.056 5.595 -9.159 720 HB2 LYS 90 2HB LYS 90 5.860 6.853 -11.073 721 HB3 LYS 90 1HB LYS 90 7.484 6.894 -10.410 722 HG2 LYS 90 2HG LYS 90 7.600 4.430 -10.643 723 HG3 LYS 90 1HG LYS 90 6.005 4.459 -11.401 724 HD2 LYS 90 2HD LYS 90 6.874 5.881 -13.196 725 HD3 LYS 90 1HD LYS 90 8.462 5.894 -12.427 726 HE2 LYS 90 2HE LYS 90 8.442 4.302 -14.256 727 HE3 LYS 90 1HE LYS 90 8.606 3.451 -12.721 728 HZ1 LYS 90 3HZ LYS 90 7.042 2.343 -14.165 729 HZ2 LYS 90 1HZ LYS 90 6.103 3.742 -14.291 730 HZ3 LYS 90 2HZ LYS 90 6.238 2.947 -12.808 731 H ILE 91 H ILE 91 5.916 3.565 -8.695 732 HA ILE 91 HA ILE 91 8.434 3.500 -7.143 733 HB ILE 91 HB ILE 91 5.948 1.888 -6.507 734 HG12 ILE 91 2HG1 ILE 91 7.199 4.171 -4.954 735 HG13 ILE 91 1HG1 ILE 91 5.746 4.305 -5.933 736 HG21 ILE 91 1HG2 ILE 91 7.972 0.663 -5.974 737 HG22 ILE 91 2HG2 ILE 91 7.196 1.204 -4.487 738 HG23 ILE 91 3HG2 ILE 91 8.617 2.053 -5.098 739 HD11 ILE 91 3HD1 ILE 91 5.198 4.118 -3.590 740 HD12 ILE 91 1HD1 ILE 91 6.076 2.593 -3.482 741 HD13 ILE 91 2HD1 ILE 91 4.619 2.705 -4.470 742 H ALA 92 H ALA 92 9.732 1.671 -7.399 743 HA ALA 92 HA ALA 92 9.267 0.086 -9.790 744 HB1 ALA 92 3HB ALA 92 11.540 -0.739 -9.454 745 HB2 ALA 92 1HB ALA 92 11.610 0.057 -7.880 746 HB3 ALA 92 2HB ALA 92 11.494 1.022 -9.352 747 H LEU 93 H LEU 93 7.686 -1.434 -9.400 748 HA LEU 93 HA LEU 93 7.316 -2.878 -7.021 749 HB2 LEU 93 2HB LEU 93 6.500 -3.470 -9.863 750 HB3 LEU 93 1HB LEU 93 6.047 -4.505 -8.521 751 HG LEU 93 HG LEU 93 5.279 -1.593 -8.825 752 HD11 LEU 93 1HD1 LEU 93 3.621 -4.103 -9.111 753 HD12 LEU 93 2HD1 LEU 93 4.108 -3.024 -10.419 754 HD13 LEU 93 3HD1 LEU 93 3.010 -2.448 -9.164 755 HD21 LEU 93 3HD2 LEU 93 5.533 -2.214 -6.484 756 HD22 LEU 93 1HD2 LEU 93 4.505 -3.628 -6.730 757 HD23 LEU 93 2HD2 LEU 93 3.829 -2.006 -6.889 758 H ARG 94 H ARG 94 8.884 -3.970 -10.053 759 HA ARG 94 HA ARG 94 9.466 -6.565 -9.206 760 HB2 ARG 94 2HB ARG 94 10.903 -4.839 -11.230 761 HB3 ARG 94 1HB ARG 94 11.183 -6.564 -11.027 762 HG2 ARG 94 2HG ARG 94 8.830 -7.005 -11.591 763 HG3 ARG 94 1HG ARG 94 8.577 -5.275 -11.836 764 HD2 ARG 94 2HD ARG 94 8.947 -6.490 -13.957 765 HD3 ARG 94 1HD ARG 94 10.176 -5.260 -13.661 766 HE ARG 94 HE ARG 94 11.406 -7.393 -12.695 767 HH11 ARG 94 1HH1 ARG 94 9.604 -7.091 -15.616 768 HH12 ARG 94 2HH1 ARG 94 10.545 -8.277 -16.442 769 HH21 ARG 94 1HH2 ARG 94 12.604 -8.898 -13.755 770 HH22 ARG 94 2HH2 ARG 94 12.220 -9.310 -15.392 771 H LYS 95 H LYS 95 10.863 -3.722 -8.007 772 HA LYS 95 HA LYS 95 13.285 -5.148 -7.113 773 HB2 LYS 95 2HB LYS 95 13.665 -2.975 -8.223 774 HB3 LYS 95 1HB LYS 95 12.666 -2.182 -7.009 775 HG2 LYS 95 2HG LYS 95 14.264 -2.912 -5.265 776 HG3 LYS 95 1HG LYS 95 15.285 -3.603 -6.526 777 HD2 LYS 95 2HD LYS 95 14.527 -0.688 -6.258 778 HD3 LYS 95 1HD LYS 95 16.079 -1.393 -5.811 779 HE2 LYS 95 2HE LYS 95 16.404 -2.074 -8.174 780 HE3 LYS 95 1HE LYS 95 14.893 -1.262 -8.584 781 HZ1 LYS 95 3HZ LYS 95 16.742 0.169 -9.057 782 HZ2 LYS 95 1HZ LYS 95 17.333 0.013 -7.484 783 HZ3 LYS 95 2HZ LYS 95 15.877 0.816 -7.760 784 H TYR 96 H TYR 96 10.406 -3.461 -5.910 785 HA TYR 96 HA TYR 96 11.271 -4.046 -3.140 786 HB2 TYR 96 2HB TYR 96 9.596 -1.744 -4.163 787 HB3 TYR 96 1HB TYR 96 9.862 -2.096 -2.460 788 HD1 TYR 96 HD1 TYR 96 12.419 -2.319 -1.785 789 HD2 TYR 96 HD2 TYR 96 10.986 -0.180 -5.174 790 HE1 TYR 96 HE1 TYR 96 14.484 -0.985 -1.806 791 HE2 TYR 96 HE2 TYR 96 13.042 1.162 -5.204 792 HH TYR 96 HH TYR 96 14.833 1.840 -3.669 793 H LYS 97 H LYS 97 9.409 -5.458 -5.234 794 HA LYS 97 HA LYS 97 6.795 -5.365 -4.178 795 HB2 LYS 97 2HB LYS 97 7.460 -6.214 -6.451 796 HB3 LYS 97 1HB LYS 97 8.067 -7.668 -5.667 797 HG2 LYS 97 2HG LYS 97 5.786 -8.070 -4.768 798 HG3 LYS 97 1HG LYS 97 5.229 -6.676 -5.700 799 HD2 LYS 97 2HD LYS 97 5.825 -7.748 -7.772 800 HD3 LYS 97 1HD LYS 97 6.589 -9.082 -6.908 801 HE2 LYS 97 2HE LYS 97 4.340 -9.603 -5.911 802 HE3 LYS 97 1HE LYS 97 3.650 -8.394 -6.995 803 HZ1 LYS 97 3HZ LYS 97 4.464 -9.670 -8.877 804 HZ2 LYS 97 1HZ LYS 97 3.457 -10.621 -7.905 805 HZ3 LYS 97 2HZ LYS 97 5.133 -10.824 -7.836 806 H TRP 98 H TRP 98 5.765 -6.563 -2.641 807 HA TRP 98 HA TRP 98 7.200 -7.697 -0.522 808 HB2 TRP 98 2HB TRP 98 4.991 -6.819 -0.158 809 HB3 TRP 98 1HB TRP 98 4.289 -7.951 -1.305 810 HD1 TRP 98 HD1 TRP 98 6.759 -9.153 1.386 811 HE1 TRP 98 HE1 TRP 98 5.493 -10.682 3.026 812 HE3 TRP 98 HE3 TRP 98 2.012 -8.443 -0.358 813 HZ2 TRP 98 HZ2 TRP 98 2.834 -11.476 3.513 814 HZ3 TRP 98 HZ3 TRP 98 0.160 -9.615 0.751 815 HH2 TRP 98 HH2 TRP 98 0.561 -11.106 2.653 816 H GLN 99 H GLN 99 8.403 -9.475 -0.635 817 HA GLN 99 HA GLN 99 7.432 -11.814 -2.149 818 HB2 GLN 99 2HB GLN 99 10.214 -11.109 -1.169 819 HB3 GLN 99 1HB GLN 99 9.796 -12.602 -2.002 820 HG2 GLN 99 2HG GLN 99 9.256 -11.413 -4.011 821 HG3 GLN 99 1HG GLN 99 9.417 -9.858 -3.193 822 HE21 GLN 99 1HE2 GLN 99 10.821 -10.968 -5.541 823 HE22 GLN 99 2HE2 GLN 99 12.502 -10.874 -5.161 824 HA PRO 100 HA PRO 100 6.814 -13.254 2.197 825 HB2 PRO 100 2HB PRO 100 4.650 -14.795 1.694 826 HB3 PRO 100 1HB PRO 100 4.529 -13.042 1.897 827 HG2 PRO 100 2HG PRO 100 4.605 -14.653 -0.634 828 HG3 PRO 100 1HG PRO 100 3.549 -13.292 -0.209 829 HD2 PRO 100 2HD PRO 100 5.769 -13.014 -1.769 830 HD3 PRO 100 1HD PRO 100 5.159 -11.721 -0.720 831 H LEU 101 H LEU 101 6.902 -15.098 -0.826 832 HA LEU 101 HA LEU 101 7.785 -17.506 0.604 833 HB2 LEU 101 2HB LEU 101 7.046 -17.139 -2.309 834 HB3 LEU 101 1HB LEU 101 7.477 -18.663 -1.554 835 HG LEU 101 HG LEU 101 5.039 -16.991 -0.918 836 HD11 LEU 101 1HD1 LEU 101 3.788 -18.860 -1.878 837 HD12 LEU 101 2HD1 LEU 101 5.301 -19.666 -2.294 838 HD13 LEU 101 3HD1 LEU 101 4.874 -18.135 -3.063 839 HD21 LEU 101 3HD2 LEU 101 5.885 -18.120 1.080 840 HD22 LEU 101 1HD2 LEU 101 5.899 -19.658 0.215 841 HD23 LEU 101 2HD2 LEU 101 4.370 -18.840 0.536 842 H GLU 102 H GLU 102 9.890 -17.691 0.930 843 HA GLU 102 HA GLU 102 11.807 -16.275 -0.767 844 HB2 GLU 102 2HB GLU 102 12.273 -17.791 1.809 845 HB3 GLU 102 1HB GLU 102 13.414 -16.725 1.004 846 HG2 GLU 102 2HG GLU 102 11.983 -14.812 1.439 847 HG3 GLU 102 1HG GLU 102 10.769 -15.861 2.170 Start of MODEL 5 1 H1 MET 1 1H MET 1 -16.027 -6.127 14.563 2 H2 MET 1 2H MET 1 -17.160 -4.882 14.419 3 H3 MET 1 3H MET 1 -15.811 -4.682 15.419 4 HA MET 1 HA MET 1 -15.567 -3.463 13.342 5 HB2 MET 1 2HB MET 1 -13.596 -4.383 14.554 6 HB3 MET 1 1HB MET 1 -13.690 -5.835 13.569 7 HG2 MET 1 2HG MET 1 -13.198 -4.553 11.575 8 HG3 MET 1 1HG MET 1 -13.204 -3.056 12.507 9 HE1 MET 1 3HE MET 1 -9.412 -3.558 11.570 10 HE2 MET 1 1HE MET 1 -10.814 -2.497 11.440 11 HE3 MET 1 2HE MET 1 -10.789 -4.034 10.577 12 H ASP 2 H ASP 2 -15.432 -3.465 11.045 13 HA ASP 2 HA ASP 2 -17.103 -5.340 9.712 14 HB2 ASP 2 2HB ASP 2 -15.233 -3.240 8.586 15 HB3 ASP 2 1HB ASP 2 -16.461 -4.103 7.661 16 H GLN 3 H GLN 3 -16.593 -7.325 9.049 17 HA GLN 3 HA GLN 3 -14.114 -8.524 9.290 18 HB2 GLN 3 2HB GLN 3 -16.384 -9.304 7.449 19 HB3 GLN 3 1HB GLN 3 -15.018 -10.338 7.848 20 HG2 GLN 3 2HG GLN 3 -17.103 -9.293 9.759 21 HG3 GLN 3 1HG GLN 3 -16.940 -10.948 9.177 22 HE21 GLN 3 1HE2 GLN 3 -15.199 -12.205 9.937 23 HE22 GLN 3 2HE2 GLN 3 -14.376 -11.806 11.400 24 H PHE 4 H PHE 4 -15.440 -6.863 6.461 25 HA PHE 4 HA PHE 4 -13.569 -7.563 4.526 26 HB2 PHE 4 2HB PHE 4 -15.513 -6.250 3.939 27 HB3 PHE 4 1HB PHE 4 -15.000 -4.930 4.983 28 HD1 PHE 4 HD1 PHE 4 -14.007 -6.829 1.936 29 HD2 PHE 4 HD2 PHE 4 -13.712 -3.179 4.119 30 HE1 PHE 4 HE1 PHE 4 -12.842 -5.785 0.038 31 HE2 PHE 4 HE2 PHE 4 -12.544 -2.136 2.223 32 HZ PHE 4 HZ PHE 4 -12.109 -3.437 0.178 33 H LEU 5 H LEU 5 -13.425 -4.889 6.863 34 HA LEU 5 HA LEU 5 -10.845 -3.969 6.145 35 HB2 LEU 5 2HB LEU 5 -12.308 -3.698 8.779 36 HB3 LEU 5 1HB LEU 5 -10.914 -2.753 8.286 37 HG LEU 5 HG LEU 5 -13.597 -2.712 6.888 38 HD11 LEU 5 1HD1 LEU 5 -13.746 -1.758 9.133 39 HD12 LEU 5 2HD1 LEU 5 -13.902 -0.514 7.893 40 HD13 LEU 5 3HD1 LEU 5 -12.386 -0.692 8.776 41 HD21 LEU 5 3HD2 LEU 5 -12.696 -0.738 5.735 42 HD22 LEU 5 1HD2 LEU 5 -11.752 -2.187 5.389 43 HD23 LEU 5 2HD2 LEU 5 -11.141 -0.989 6.529 44 H VAL 6 H VAL 6 -11.976 -6.237 8.631 45 HA VAL 6 HA VAL 6 -9.588 -6.690 9.988 46 HB VAL 6 HB VAL 6 -11.795 -8.688 9.412 47 HG11 VAL 6 1HG1 VAL 6 -9.772 -9.836 10.149 48 HG12 VAL 6 2HG1 VAL 6 -10.998 -9.878 11.414 49 HG13 VAL 6 3HG1 VAL 6 -9.643 -8.755 11.538 50 HG21 VAL 6 3HG2 VAL 6 -12.657 -8.051 11.623 51 HG22 VAL 6 1HG2 VAL 6 -12.614 -6.673 10.523 52 HG23 VAL 6 2HG2 VAL 6 -11.381 -6.842 11.771 53 H GLN 7 H GLN 7 -10.831 -8.336 7.078 54 HA GLN 7 HA GLN 7 -8.719 -10.218 6.902 55 HB2 GLN 7 2HB GLN 7 -10.635 -9.238 4.776 56 HB3 GLN 7 1HB GLN 7 -9.566 -10.624 4.597 57 HG2 GLN 7 2HG GLN 7 -11.831 -10.331 6.564 58 HG3 GLN 7 1HG GLN 7 -11.784 -11.381 5.148 59 HE21 GLN 7 1HE2 GLN 7 -10.648 -10.894 8.385 60 HE22 GLN 7 2HE2 GLN 7 -10.007 -12.478 8.620 61 H ILE 8 H ILE 8 -9.302 -7.268 4.917 62 HA ILE 8 HA ILE 8 -6.923 -7.463 3.453 63 HB ILE 8 HB ILE 8 -7.185 -5.056 2.931 64 HG12 ILE 8 2HG1 ILE 8 -9.520 -5.186 4.866 65 HG13 ILE 8 1HG1 ILE 8 -8.030 -4.282 5.111 66 HG21 ILE 8 1HG2 ILE 8 -8.378 -6.739 1.636 67 HG22 ILE 8 2HG2 ILE 8 -9.345 -5.271 1.779 68 HG23 ILE 8 3HG2 ILE 8 -9.728 -6.680 2.770 69 HD11 ILE 8 3HD1 ILE 8 -10.097 -3.780 2.981 70 HD12 ILE 8 1HD1 ILE 8 -8.579 -2.898 3.153 71 HD13 ILE 8 2HD1 ILE 8 -9.803 -2.805 4.420 72 H PHE 9 H PHE 9 -7.540 -5.760 6.535 73 HA PHE 9 HA PHE 9 -4.975 -4.617 6.815 74 HB2 PHE 9 2HB PHE 9 -6.992 -5.467 8.910 75 HB3 PHE 9 1HB PHE 9 -5.513 -4.592 9.287 76 HD1 PHE 9 HD1 PHE 9 -6.677 -3.451 6.163 77 HD2 PHE 9 HD2 PHE 9 -7.451 -3.146 10.344 78 HE1 PHE 9 HE1 PHE 9 -7.843 -1.321 5.792 79 HE2 PHE 9 HE2 PHE 9 -8.620 -1.014 9.970 80 HZ PHE 9 HZ PHE 9 -8.819 -0.098 7.693 81 H ALA 10 H ALA 10 -6.264 -7.749 7.905 82 HA ALA 10 HA ALA 10 -4.004 -8.713 9.239 83 HB1 ALA 10 3HB ALA 10 -6.180 -9.807 9.364 84 HB2 ALA 10 1HB ALA 10 -4.939 -10.950 8.856 85 HB3 ALA 10 2HB ALA 10 -6.059 -10.278 7.670 86 H VAL 11 H VAL 11 -4.676 -8.508 5.803 87 HA VAL 11 HA VAL 11 -2.415 -10.139 5.042 88 HB VAL 11 HB VAL 11 -4.065 -8.250 3.340 89 HG11 VAL 11 1HG1 VAL 11 -2.215 -10.495 2.519 90 HG12 VAL 11 2HG1 VAL 11 -1.878 -8.771 2.356 91 HG13 VAL 11 3HG1 VAL 11 -3.192 -9.503 1.434 92 HG21 VAL 11 3HG2 VAL 11 -5.254 -10.278 2.592 93 HG22 VAL 11 1HG2 VAL 11 -5.469 -9.986 4.318 94 HG23 VAL 11 2HG2 VAL 11 -4.349 -11.231 3.767 95 H ILE 12 H ILE 12 -3.123 -6.663 5.243 96 HA ILE 12 HA ILE 12 -0.768 -5.696 4.053 97 HB ILE 12 HB ILE 12 -2.497 -4.397 6.170 98 HG12 ILE 12 2HG1 ILE 12 -2.500 -4.053 3.154 99 HG13 ILE 12 1HG1 ILE 12 -3.662 -5.021 4.054 100 HG21 ILE 12 1HG2 ILE 12 -0.424 -3.169 4.346 101 HG22 ILE 12 2HG2 ILE 12 -0.320 -3.326 6.100 102 HG23 ILE 12 3HG2 ILE 12 -1.534 -2.270 5.381 103 HD11 ILE 12 3HD1 ILE 12 -3.268 -2.048 4.308 104 HD12 ILE 12 1HD1 ILE 12 -4.433 -3.016 5.215 105 HD13 ILE 12 2HD1 ILE 12 -4.587 -2.860 3.465 106 H HIS 13 H HIS 13 -1.452 -6.425 7.489 107 HA HIS 13 HA HIS 13 0.982 -5.509 8.553 108 HB2 HIS 13 2HB HIS 13 -0.955 -7.626 9.476 109 HB3 HIS 13 1HB HIS 13 0.517 -7.284 10.376 110 HD2 HIS 13 HD2 HIS 13 -3.052 -6.073 10.144 111 HE1 HIS 13 HE1 HIS 13 -0.853 -3.089 12.196 112 HE2 HIS 13 HE2 HIS 13 -3.161 -4.025 11.736 113 H GLN 14 H GLN 14 0.365 -8.274 6.601 114 HA GLN 14 HA GLN 14 2.686 -9.764 7.498 115 HB2 GLN 14 2HB GLN 14 0.338 -10.300 5.862 116 HB3 GLN 14 1HB GLN 14 1.796 -10.908 5.098 117 HG2 GLN 14 2HG GLN 14 0.713 -12.605 6.472 118 HG3 GLN 14 1HG GLN 14 2.327 -12.219 7.060 119 HE21 GLN 14 1HE2 GLN 14 -0.493 -10.200 7.616 120 HE22 GLN 14 2HE2 GLN 14 -0.572 -10.472 9.317 121 H ILE 15 H ILE 15 2.335 -7.107 5.549 122 HA ILE 15 HA ILE 15 4.405 -7.765 3.621 123 HB ILE 15 HB ILE 15 3.173 -5.070 4.259 124 HG12 ILE 15 2HG1 ILE 15 2.479 -7.023 2.043 125 HG13 ILE 15 1HG1 ILE 15 1.499 -6.728 3.476 126 HG21 ILE 15 1HG2 ILE 15 4.040 -4.390 2.067 127 HG22 ILE 15 2HG2 ILE 15 4.787 -5.976 1.869 128 HG23 ILE 15 3HG2 ILE 15 5.342 -4.893 3.146 129 HD11 ILE 15 3HD1 ILE 15 1.210 -4.395 2.773 130 HD12 ILE 15 1HD1 ILE 15 0.605 -5.539 1.579 131 HD13 ILE 15 2HD1 ILE 15 2.147 -4.732 1.317 132 HA PRO 16 HA PRO 16 7.528 -6.740 6.750 133 HB2 PRO 16 2HB PRO 16 9.463 -7.374 4.619 134 HB3 PRO 16 1HB PRO 16 9.222 -8.159 6.182 135 HG2 PRO 16 2HG PRO 16 8.538 -9.361 3.873 136 HG3 PRO 16 1HG PRO 16 7.601 -9.590 5.363 137 HD2 PRO 16 2HD PRO 16 7.024 -7.798 3.020 138 HD3 PRO 16 1HD PRO 16 5.919 -8.858 3.923 139 H LYS 17 H LYS 17 8.838 -5.009 7.184 140 HA LYS 17 HA LYS 17 8.684 -2.607 5.841 141 HB2 LYS 17 2HB LYS 17 9.451 -2.801 8.143 142 HB3 LYS 17 1HB LYS 17 10.901 -3.646 7.619 143 HG2 LYS 17 2HG LYS 17 11.607 -1.608 6.403 144 HG3 LYS 17 1HG LYS 17 10.194 -0.770 7.050 145 HD2 LYS 17 2HD LYS 17 11.007 -1.188 9.336 146 HD3 LYS 17 1HD LYS 17 12.424 -2.005 8.674 147 HE2 LYS 17 2HE LYS 17 13.046 0.106 7.527 148 HE3 LYS 17 1HE LYS 17 11.682 0.901 8.311 149 HZ1 LYS 17 3HZ LYS 17 12.674 0.352 10.461 150 HZ2 LYS 17 1HZ LYS 17 13.712 1.304 9.523 151 HZ3 LYS 17 2HZ LYS 17 13.996 -0.355 9.679 152 H GLY 18 H GLY 18 9.453 -1.925 3.925 153 HA2 GLY 18 2HA GLY 18 11.321 -1.499 2.447 154 HA3 GLY 18 1HA GLY 18 11.998 -3.051 2.913 155 H LYS 19 H LYS 19 8.936 -3.877 2.600 156 HA LYS 19 HA LYS 19 9.066 -4.295 -0.322 157 HB2 LYS 19 2HB LYS 19 7.913 -6.041 1.860 158 HB3 LYS 19 1HB LYS 19 7.542 -6.282 0.160 159 HG2 LYS 19 2HG LYS 19 10.290 -6.441 1.405 160 HG3 LYS 19 1HG LYS 19 9.280 -7.808 0.925 161 HD2 LYS 19 2HD LYS 19 9.298 -6.735 -1.419 162 HD3 LYS 19 1HD LYS 19 10.647 -5.771 -0.819 163 HE2 LYS 19 2HE LYS 19 10.531 -8.790 -0.906 164 HE3 LYS 19 1HE LYS 19 11.407 -7.762 -2.037 165 HZ1 LYS 19 3HZ LYS 19 11.939 -7.895 0.878 166 HZ2 LYS 19 1HZ LYS 19 12.826 -7.023 -0.268 167 HZ3 LYS 19 2HZ LYS 19 12.826 -8.714 -0.303 168 H VAL 20 H VAL 20 7.119 -4.159 -1.516 169 HA VAL 20 HA VAL 20 4.807 -2.928 -0.167 170 HB VAL 20 HB VAL 20 4.417 -1.492 -2.135 171 HG11 VAL 20 1HG1 VAL 20 5.615 -0.546 -0.241 172 HG12 VAL 20 2HG1 VAL 20 6.224 0.130 -1.750 173 HG13 VAL 20 3HG1 VAL 20 7.151 -1.109 -0.903 174 HG21 VAL 20 3HG2 VAL 20 7.091 -2.521 -3.104 175 HG22 VAL 20 1HG2 VAL 20 6.185 -1.194 -3.830 176 HG23 VAL 20 2HG2 VAL 20 5.520 -2.827 -3.844 177 H SER 21 H SER 21 2.771 -3.192 -1.330 178 HA SER 21 HA SER 21 2.731 -5.335 -3.340 179 HB2 SER 21 2HB SER 21 2.345 -6.462 -1.195 180 HB3 SER 21 1HB SER 21 1.021 -5.354 -0.834 181 HG SER 21 HG SER 21 0.827 -7.624 -2.073 182 H THR 22 H THR 22 0.456 -5.598 -4.250 183 HA THR 22 HA THR 22 -0.609 -2.892 -4.753 184 HB THR 22 HB THR 22 -1.511 -3.757 -6.843 185 HG1 THR 22 HG1 THR 22 -0.244 -6.253 -6.446 186 HG21 THR 22 3HG2 THR 22 0.577 -4.307 -8.013 187 HG22 THR 22 1HG2 THR 22 1.369 -4.612 -6.467 188 HG23 THR 22 2HG2 THR 22 0.818 -2.985 -6.872 189 H TYR 23 H TYR 23 -2.837 -2.472 -4.679 190 HA TYR 23 HA TYR 23 -4.452 -3.734 -2.821 191 HB2 TYR 23 2HB TYR 23 -5.297 -2.206 -5.295 192 HB3 TYR 23 1HB TYR 23 -6.388 -2.653 -3.988 193 HD1 TYR 23 HD2 TYR 23 -5.639 -1.872 -1.592 194 HD2 TYR 23 HD1 TYR 23 -4.270 -0.118 -5.220 195 HE1 TYR 23 HE2 TYR 23 -5.032 0.170 -0.371 196 HE2 TYR 23 HE1 TYR 23 -3.659 1.925 -4.006 197 HH TYR 23 HH TYR 23 -3.401 2.085 -0.682 198 H GLY 24 H GLY 24 -4.010 -4.537 -6.219 199 HA2 GLY 24 2HA GLY 24 -6.113 -6.374 -6.541 200 HA3 GLY 24 1HA GLY 24 -4.607 -6.386 -7.444 201 H GLU 25 H GLU 25 -2.768 -6.894 -5.418 202 HA GLU 25 HA GLU 25 -3.076 -9.708 -5.034 203 HB2 GLU 25 2HB GLU 25 -1.035 -7.746 -3.965 204 HB3 GLU 25 1HB GLU 25 -0.937 -9.484 -3.721 205 HG2 GLU 25 2HG GLU 25 -0.738 -9.854 -6.100 206 HG3 GLU 25 1HG GLU 25 -0.985 -8.139 -6.420 207 H ILE 26 H ILE 26 -3.070 -6.955 -2.749 208 HA ILE 26 HA ILE 26 -3.435 -8.382 -0.381 209 HB ILE 26 HB ILE 26 -4.526 -5.633 -1.043 210 HG12 ILE 26 2HG1 ILE 26 -2.104 -5.767 -1.406 211 HG13 ILE 26 1HG1 ILE 26 -2.457 -4.794 0.018 212 HG21 ILE 26 1HG2 ILE 26 -4.490 -5.240 1.382 213 HG22 ILE 26 2HG2 ILE 26 -3.994 -6.912 1.647 214 HG23 ILE 26 3HG2 ILE 26 -5.579 -6.561 0.956 215 HD11 ILE 26 3HD1 ILE 26 -0.547 -6.261 0.362 216 HD12 ILE 26 1HD1 ILE 26 -1.563 -7.668 0.045 217 HD13 ILE 26 2HD1 ILE 26 -1.870 -6.656 1.458 218 H ALA 27 H ALA 27 -6.014 -6.810 -2.324 219 HA ALA 27 HA ALA 27 -8.183 -7.788 -0.842 220 HB1 ALA 27 3HB ALA 27 -9.552 -7.202 -2.776 221 HB2 ALA 27 1HB ALA 27 -8.106 -7.090 -3.781 222 HB3 ALA 27 2HB ALA 27 -8.351 -5.951 -2.457 223 H LYS 28 H LYS 28 -6.481 -9.186 -3.619 224 HA LYS 28 HA LYS 28 -8.154 -11.394 -4.079 225 HB2 LYS 28 2HB LYS 28 -6.357 -10.615 -5.606 226 HB3 LYS 28 1HB LYS 28 -5.156 -11.205 -4.468 227 HG2 LYS 28 2HG LYS 28 -5.960 -13.492 -4.798 228 HG3 LYS 28 1HG LYS 28 -7.176 -12.901 -5.933 229 HD2 LYS 28 2HD LYS 28 -5.366 -12.036 -7.382 230 HD3 LYS 28 1HD LYS 28 -4.175 -12.693 -6.256 231 HE2 LYS 28 2HE LYS 28 -4.478 -14.185 -8.160 232 HE3 LYS 28 1HE LYS 28 -5.034 -14.951 -6.674 233 HZ1 LYS 28 3HZ LYS 28 -6.570 -15.320 -8.491 234 HZ2 LYS 28 1HZ LYS 28 -6.772 -13.656 -8.700 235 HZ3 LYS 28 2HZ LYS 28 -7.304 -14.402 -7.281 236 H MET 29 H MET 29 -5.360 -11.019 -1.919 237 HA MET 29 HA MET 29 -5.393 -13.722 -0.975 238 HB2 MET 29 2HB MET 29 -4.133 -11.237 0.210 239 HB3 MET 29 1HB MET 29 -3.821 -12.881 0.757 240 HG2 MET 29 2HG MET 29 -2.896 -13.441 -1.434 241 HG3 MET 29 1HG MET 29 -3.221 -11.801 -1.993 242 HE1 MET 29 3HE MET 29 0.639 -11.640 -1.765 243 HE2 MET 29 1HE MET 29 -0.787 -11.248 -2.725 244 HE3 MET 29 2HE MET 29 -0.379 -12.934 -2.396 245 H ALA 30 H ALA 30 -6.803 -10.696 0.165 246 HA ALA 30 HA ALA 30 -7.742 -11.652 2.672 247 HB1 ALA 30 3HB ALA 30 -9.128 -9.640 2.703 248 HB2 ALA 30 1HB ALA 30 -8.793 -9.370 0.991 249 HB3 ALA 30 2HB ALA 30 -7.487 -9.266 2.173 250 H GLY 31 H GLY 31 -8.882 -12.070 -0.556 251 HA2 GLY 31 2HA GLY 31 -10.450 -13.756 -1.140 252 HA3 GLY 31 1HA GLY 31 -11.172 -13.614 0.455 253 H TYR 32 H TYR 32 -10.519 -10.660 -1.189 254 HA TYR 32 HA TYR 32 -13.355 -10.436 -1.992 255 HB2 TYR 32 2HB TYR 32 -11.614 -8.288 -0.748 256 HB3 TYR 32 1HB TYR 32 -13.244 -8.037 -1.359 257 HD1 TYR 32 HD2 TYR 32 -11.245 -9.663 1.284 258 HD2 TYR 32 HD1 TYR 32 -15.167 -8.692 -0.067 259 HE1 TYR 32 HE2 TYR 32 -12.148 -10.247 3.491 260 HE2 TYR 32 HE1 TYR 32 -16.076 -9.279 2.142 261 HH TYR 32 HH TYR 32 -15.510 -10.565 4.091 262 HA PRO 33 HA PRO 33 -10.787 -9.577 -5.749 263 HB2 PRO 33 2HB PRO 33 -12.494 -10.714 -7.525 264 HB3 PRO 33 1HB PRO 33 -11.328 -11.658 -6.589 265 HG2 PRO 33 2HG PRO 33 -14.254 -11.226 -6.082 266 HG3 PRO 33 1HG PRO 33 -13.315 -12.728 -5.990 267 HD2 PRO 33 2HD PRO 33 -13.975 -11.277 -3.789 268 HD3 PRO 33 1HD PRO 33 -12.475 -12.222 -3.896 269 H GLY 34 H GLY 34 -10.928 -7.713 -6.913 270 HA2 GLY 34 2HA GLY 34 -11.959 -6.054 -8.218 271 HA3 GLY 34 1HA GLY 34 -13.531 -6.625 -7.684 272 H TYR 35 H TYR 35 -12.587 -6.535 -4.825 273 HA TYR 35 HA TYR 35 -13.480 -3.879 -4.260 274 HB2 TYR 35 2HB TYR 35 -12.448 -6.085 -2.466 275 HB3 TYR 35 1HB TYR 35 -13.067 -4.551 -1.867 276 HD1 TYR 35 HD1 TYR 35 -13.979 -7.704 -3.556 277 HD2 TYR 35 HD2 TYR 35 -15.425 -4.092 -1.826 278 HE1 TYR 35 HE1 TYR 35 -16.260 -8.618 -3.569 279 HE2 TYR 35 HE2 TYR 35 -17.710 -4.997 -1.836 280 HH TYR 35 HH TYR 35 -18.399 -8.244 -2.291 281 H ALA 36 H ALA 36 -10.542 -4.786 -5.311 282 HA ALA 36 HA ALA 36 -8.572 -3.765 -3.706 283 HB1 ALA 36 3HB ALA 36 -8.778 -3.411 -6.701 284 HB2 ALA 36 1HB ALA 36 -8.184 -4.851 -5.874 285 HB3 ALA 36 2HB ALA 36 -7.299 -3.331 -5.740 286 H ARG 37 H ARG 37 -10.652 -1.910 -5.911 287 HA ARG 37 HA ARG 37 -9.513 0.629 -5.454 288 HB2 ARG 37 2HB ARG 37 -11.659 1.503 -6.380 289 HB3 ARG 37 1HB ARG 37 -10.917 0.257 -7.372 290 HG2 ARG 37 2HG ARG 37 -12.485 -1.395 -6.272 291 HG3 ARG 37 1HG ARG 37 -13.321 -0.004 -5.577 292 HD2 ARG 37 2HD ARG 37 -14.412 -0.780 -7.632 293 HD3 ARG 37 1HD ARG 37 -13.776 0.857 -7.819 294 HE ARG 37 HE ARG 37 -11.766 -0.536 -8.823 295 HH11 ARG 37 1HH1 ARG 37 -15.145 -1.002 -9.314 296 HH12 ARG 37 2HH1 ARG 37 -14.935 -1.623 -10.911 297 HH21 ARG 37 1HH2 ARG 37 -11.505 -1.328 -10.866 298 HH22 ARG 37 2HH2 ARG 37 -12.893 -1.810 -11.780 299 H HIS 38 H HIS 38 -11.969 -1.171 -3.682 300 HA HIS 38 HA HIS 38 -12.784 1.045 -2.042 301 HB2 HIS 38 2HB HIS 38 -13.236 -1.934 -1.714 302 HB3 HIS 38 1HB HIS 38 -13.970 -0.695 -0.700 303 HD2 HIS 38 HD2 HIS 38 -14.581 -2.505 -3.992 304 HE1 HIS 38 HE1 HIS 38 -17.261 0.761 -3.832 305 HE2 HIS 38 HE2 HIS 38 -16.554 -1.282 -5.145 306 H VAL 39 H VAL 39 -10.477 -1.617 -1.714 307 HA VAL 39 HA VAL 39 -9.683 -1.182 0.941 308 HB VAL 39 HB VAL 39 -7.906 -2.036 -1.366 309 HG11 VAL 39 1HG1 VAL 39 -7.605 -2.459 1.615 310 HG12 VAL 39 2HG1 VAL 39 -6.615 -1.404 0.604 311 HG13 VAL 39 3HG1 VAL 39 -6.562 -3.152 0.371 312 HG21 VAL 39 3HG2 VAL 39 -9.585 -3.721 0.503 313 HG22 VAL 39 1HG2 VAL 39 -8.448 -4.343 -0.694 314 HG23 VAL 39 2HG2 VAL 39 -9.884 -3.461 -1.215 315 H GLY 40 H GLY 40 -8.619 0.349 -2.082 316 HA2 GLY 40 2HA GLY 40 -6.689 2.101 -1.035 317 HA3 GLY 40 1HA GLY 40 -7.629 2.383 -2.492 318 H LYS 41 H LYS 41 -10.206 2.548 -1.409 319 HA LYS 41 HA LYS 41 -10.401 5.153 -0.409 320 HB2 LYS 41 2HB LYS 41 -12.366 2.875 -0.023 321 HB3 LYS 41 1HB LYS 41 -12.725 4.581 0.195 322 HG2 LYS 41 2HG LYS 41 -12.352 4.989 -2.178 323 HG3 LYS 41 1HG LYS 41 -11.913 3.295 -2.412 324 HD2 LYS 41 2HD LYS 41 -14.177 2.636 -1.644 325 HD3 LYS 41 1HD LYS 41 -14.606 4.341 -1.511 326 HE2 LYS 41 2HE LYS 41 -13.774 2.937 -4.054 327 HE3 LYS 41 1HE LYS 41 -15.429 3.330 -3.598 328 HZ1 LYS 41 3HZ LYS 41 -14.611 4.971 -5.110 329 HZ2 LYS 41 1HZ LYS 41 -13.244 5.261 -4.156 330 HZ3 LYS 41 2HZ LYS 41 -14.777 5.691 -3.590 331 H ALA 42 H ALA 42 -10.537 2.048 1.322 332 HA ALA 42 HA ALA 42 -10.956 2.995 3.910 333 HB1 ALA 42 3HB ALA 42 -11.167 0.640 3.274 334 HB2 ALA 42 1HB ALA 42 -10.106 0.832 4.670 335 HB3 ALA 42 2HB ALA 42 -9.418 0.532 3.072 336 H LEU 43 H LEU 43 -7.824 2.128 2.395 337 HA LEU 43 HA LEU 43 -6.215 3.027 4.533 338 HB2 LEU 43 2HB LEU 43 -5.496 2.848 1.599 339 HB3 LEU 43 1HB LEU 43 -4.356 2.982 2.926 340 HG LEU 43 HG LEU 43 -6.127 0.633 2.249 341 HD11 LEU 43 1HD1 LEU 43 -4.041 0.833 0.981 342 HD12 LEU 43 2HD1 LEU 43 -4.024 -0.568 2.051 343 HD13 LEU 43 3HD1 LEU 43 -3.129 0.889 2.491 344 HD21 LEU 43 3HD2 LEU 43 -5.220 -0.486 4.234 345 HD22 LEU 43 1HD2 LEU 43 -6.181 0.927 4.668 346 HD23 LEU 43 2HD2 LEU 43 -4.419 1.011 4.711 347 H GLY 44 H GLY 44 -7.593 4.704 1.762 348 HA2 GLY 44 2HA GLY 44 -6.166 7.124 1.953 349 HA3 GLY 44 1HA GLY 44 -7.769 6.940 1.263 350 H ASN 45 H ASN 45 -8.722 5.859 3.945 351 HA ASN 45 HA ASN 45 -9.416 8.416 5.117 352 HB2 ASN 45 2HB ASN 45 -10.126 5.568 5.853 353 HB3 ASN 45 1HB ASN 45 -10.665 6.958 6.788 354 HD21 ASN 45 1HD2 ASN 45 -10.375 6.955 3.287 355 HD22 ASN 45 2HD2 ASN 45 -12.068 7.042 2.975 356 H LEU 46 H LEU 46 -6.977 6.064 5.606 357 HA LEU 46 HA LEU 46 -6.525 6.543 8.404 358 HB2 LEU 46 2HB LEU 46 -4.954 5.098 6.274 359 HB3 LEU 46 1HB LEU 46 -4.380 5.249 7.925 360 HG LEU 46 HG LEU 46 -7.005 3.947 7.170 361 HD11 LEU 46 1HD1 LEU 46 -5.168 2.660 6.239 362 HD12 LEU 46 2HD1 LEU 46 -5.874 1.811 7.613 363 HD13 LEU 46 3HD1 LEU 46 -4.342 2.667 7.797 364 HD21 LEU 46 3HD2 LEU 46 -5.437 4.001 9.755 365 HD22 LEU 46 1HD2 LEU 46 -6.899 3.057 9.466 366 HD23 LEU 46 2HD2 LEU 46 -6.969 4.819 9.439 367 HA PRO 47 HA PRO 47 -3.712 9.992 7.851 368 HB2 PRO 47 2HB PRO 47 -3.142 10.439 10.415 369 HB3 PRO 47 1HB PRO 47 -4.784 10.689 9.808 370 HG2 PRO 47 2HG PRO 47 -3.674 8.396 11.381 371 HG3 PRO 47 1HG PRO 47 -5.247 9.199 11.532 372 HD2 PRO 47 2HD PRO 47 -4.764 6.818 10.149 373 HD3 PRO 47 1HD PRO 47 -6.191 7.855 9.949 374 H GLU 48 H GLU 48 -1.444 10.589 8.575 375 HA GLU 48 HA GLU 48 0.374 8.526 7.959 376 HB2 GLU 48 2HB GLU 48 2.153 10.151 8.612 377 HB3 GLU 48 1HB GLU 48 0.997 10.783 7.452 378 HG2 GLU 48 2HG GLU 48 0.676 11.323 10.384 379 HG3 GLU 48 1HG GLU 48 1.785 12.278 9.404 380 H GLY 49 H GLY 49 -0.793 9.729 11.060 381 HA2 GLY 49 2HA GLY 49 1.152 8.163 12.569 382 HA3 GLY 49 1HA GLY 49 -0.131 9.160 13.235 383 H SER 50 H SER 50 -0.082 6.341 11.040 384 HA SER 50 HA SER 50 -2.262 5.133 12.615 385 HB2 SER 50 2HB SER 50 -2.832 5.380 10.297 386 HB3 SER 50 1HB SER 50 -1.307 4.665 9.780 387 HG SER 50 HG SER 50 -2.298 2.828 9.814 388 H LYS 51 H LYS 51 -2.118 3.107 13.531 389 HA LYS 51 HA LYS 51 0.445 1.934 13.985 390 HB2 LYS 51 2HB LYS 51 -0.771 0.125 15.114 391 HB3 LYS 51 1HB LYS 51 -1.367 1.699 15.623 392 HG2 LYS 51 2HG LYS 51 -3.302 1.451 14.144 393 HG3 LYS 51 1HG LYS 51 -2.698 -0.121 13.617 394 HD2 LYS 51 2HD LYS 51 -2.864 -0.937 15.949 395 HD3 LYS 51 1HD LYS 51 -3.531 0.625 16.428 396 HE2 LYS 51 2HE LYS 51 -5.421 0.277 14.889 397 HE3 LYS 51 1HE LYS 51 -4.756 -1.294 14.439 398 HZ1 LYS 51 3HZ LYS 51 -6.503 -1.510 16.085 399 HZ2 LYS 51 1HZ LYS 51 -5.660 -0.512 17.160 400 HZ3 LYS 51 2HZ LYS 51 -5.026 -2.020 16.726 401 H LEU 52 H LEU 52 -2.200 1.233 11.778 402 HA LEU 52 HA LEU 52 -0.941 -1.091 10.613 403 HB2 LEU 52 2HB LEU 52 -3.352 -0.967 10.619 404 HB3 LEU 52 1HB LEU 52 -3.323 0.589 9.812 405 HG LEU 52 HG LEU 52 -2.303 -0.580 7.809 406 HD11 LEU 52 1HD1 LEU 52 -2.602 -2.991 7.626 407 HD12 LEU 52 2HD1 LEU 52 -3.161 -3.059 9.297 408 HD13 LEU 52 3HD1 LEU 52 -1.499 -2.586 8.941 409 HD21 LEU 52 3HD2 LEU 52 -4.445 -1.460 7.022 410 HD22 LEU 52 1HD2 LEU 52 -4.641 0.080 7.859 411 HD23 LEU 52 2HD2 LEU 52 -5.066 -1.427 8.672 412 HA PRO 53 HA PRO 53 1.533 1.509 7.844 413 HB2 PRO 53 2HB PRO 53 2.858 -0.492 6.577 414 HB3 PRO 53 1HB PRO 53 3.287 0.043 8.206 415 HG2 PRO 53 2HG PRO 53 1.640 -2.320 7.360 416 HG3 PRO 53 1HG PRO 53 2.905 -2.226 8.602 417 HD2 PRO 53 2HD PRO 53 0.249 -2.151 9.195 418 HD3 PRO 53 1HD PRO 53 1.474 -1.315 10.169 419 H TRP 54 H TRP 54 -0.200 2.276 6.600 420 HA TRP 54 HA TRP 54 -1.462 0.577 4.622 421 HB2 TRP 54 2HB TRP 54 -2.706 2.715 4.048 422 HB3 TRP 54 1HB TRP 54 -2.913 2.115 5.687 423 HD1 TRP 54 HD1 TRP 54 -1.963 3.600 7.680 424 HE1 TRP 54 HE1 TRP 54 -1.204 6.054 7.804 425 HE3 TRP 54 HE3 TRP 54 -1.497 4.566 2.678 426 HZ2 TRP 54 HZ2 TRP 54 -0.493 8.128 6.025 427 HZ3 TRP 54 HZ3 TRP 54 -0.771 6.807 1.977 428 HH2 TRP 54 HH2 TRP 54 -0.280 8.549 3.614 429 H PHE 55 H PHE 55 1.108 2.848 4.706 430 HA PHE 55 HA PHE 55 1.110 3.747 2.056 431 HB2 PHE 55 2HB PHE 55 3.529 4.309 2.523 432 HB3 PHE 55 1HB PHE 55 2.359 4.963 3.661 433 HD1 PHE 55 HD2 PHE 55 2.178 4.045 5.935 434 HD2 PHE 55 HD1 PHE 55 5.166 2.683 3.222 435 HE1 PHE 55 HE2 PHE 55 3.424 3.054 7.808 436 HE2 PHE 55 HE1 PHE 55 6.413 1.692 5.091 437 HZ PHE 55 HZ PHE 55 5.545 1.875 7.389 438 H ARG 56 H ARG 56 2.106 0.688 3.330 439 HA ARG 56 HA ARG 56 4.001 0.064 1.263 440 HB2 ARG 56 2HB ARG 56 2.610 -1.729 3.266 441 HB3 ARG 56 1HB ARG 56 3.897 -2.249 2.186 442 HG2 ARG 56 2HG ARG 56 5.424 -0.637 3.240 443 HG3 ARG 56 1HG ARG 56 4.134 -0.158 4.348 444 HD2 ARG 56 2HD ARG 56 4.017 -2.506 5.153 445 HD3 ARG 56 1HD ARG 56 5.390 -2.896 4.117 446 HE ARG 56 HE ARG 56 6.416 -0.915 5.564 447 HH11 ARG 56 1HH1 ARG 56 4.606 -3.696 6.542 448 HH12 ARG 56 2HH1 ARG 56 5.324 -3.734 8.114 449 HH21 ARG 56 1HH2 ARG 56 7.313 -0.994 7.577 450 HH22 ARG 56 2HH2 ARG 56 6.830 -2.226 8.689 451 H VAL 57 H VAL 57 0.692 0.334 1.092 452 HA VAL 57 HA VAL 57 0.498 -1.770 -0.979 453 HB VAL 57 HB VAL 57 -1.818 -0.559 0.548 454 HG11 VAL 57 1HG1 VAL 57 -2.423 -1.426 -1.648 455 HG12 VAL 57 2HG1 VAL 57 -3.085 -2.454 -0.376 456 HG13 VAL 57 3HG1 VAL 57 -1.654 -2.969 -1.269 457 HG21 VAL 57 3HG2 VAL 57 -0.437 -3.212 1.004 458 HG22 VAL 57 1HG2 VAL 57 -1.909 -2.661 1.808 459 HG23 VAL 57 2HG2 VAL 57 -0.383 -1.816 2.082 460 H ILE 58 H ILE 58 0.586 -0.962 -2.971 461 HA ILE 58 HA ILE 58 -0.640 1.675 -3.519 462 HB ILE 58 HB ILE 58 0.930 1.914 -5.399 463 HG12 ILE 58 2HG1 ILE 58 2.241 -0.595 -4.302 464 HG13 ILE 58 1HG1 ILE 58 1.326 -0.505 -5.803 465 HG21 ILE 58 1HG2 ILE 58 2.908 2.419 -4.076 466 HG22 ILE 58 2HG2 ILE 58 2.310 1.407 -2.761 467 HG23 ILE 58 3HG2 ILE 58 1.446 2.879 -3.205 468 HD11 ILE 58 3HD1 ILE 58 2.967 1.070 -6.698 469 HD12 ILE 58 1HD1 ILE 58 3.698 -0.466 -6.236 470 HD13 ILE 58 2HD1 ILE 58 3.890 0.946 -5.200 471 H ASN 59 H ASN 59 -0.683 1.672 -6.263 472 HA ASN 59 HA ASN 59 -2.963 -0.066 -6.716 473 HB2 ASN 59 2HB ASN 59 -3.286 1.225 -8.781 474 HB3 ASN 59 1HB ASN 59 -3.097 2.281 -7.387 475 HD21 ASN 59 1HD2 ASN 59 -2.476 4.013 -8.647 476 HD22 ASN 59 2HD2 ASN 59 -0.939 4.093 -9.423 477 H SER 60 H SER 60 -3.119 -0.848 -9.174 478 HA SER 60 HA SER 60 -1.092 -2.902 -9.421 479 HB2 SER 60 2HB SER 60 -2.544 -3.716 -11.297 480 HB3 SER 60 1HB SER 60 -3.406 -3.535 -9.767 481 HG SER 60 HG SER 60 -4.630 -2.619 -11.408 482 H GLN 61 H GLN 61 -1.199 0.226 -10.466 483 HA GLN 61 HA GLN 61 0.004 -0.179 -13.083 484 HB2 GLN 61 2HB GLN 61 -0.437 2.347 -11.469 485 HB3 GLN 61 1HB GLN 61 0.167 2.299 -13.120 486 HG2 GLN 61 2HG GLN 61 -1.937 1.382 -13.898 487 HG3 GLN 61 1HG GLN 61 -2.541 1.306 -12.242 488 HE21 GLN 61 1HE2 GLN 61 -3.560 2.762 -14.594 489 HE22 GLN 61 2HE2 GLN 61 -3.659 4.410 -14.094 490 H GLY 62 H GLY 62 1.055 0.108 -9.826 491 HA2 GLY 62 2HA GLY 62 3.281 -0.139 -9.064 492 HA3 GLY 62 1HA GLY 62 3.861 0.311 -10.661 493 H LYS 63 H LYS 63 1.392 2.196 -9.153 494 HA LYS 63 HA LYS 63 3.326 4.319 -8.479 495 HB2 LYS 63 2HB LYS 63 0.718 4.630 -9.985 496 HB3 LYS 63 1HB LYS 63 1.685 5.969 -9.385 497 HG2 LYS 63 2HG LYS 63 3.530 5.313 -10.844 498 HG3 LYS 63 1HG LYS 63 2.591 3.937 -11.426 499 HD2 LYS 63 2HD LYS 63 2.508 5.803 -13.012 500 HD3 LYS 63 1HD LYS 63 0.910 5.462 -12.348 501 HE2 LYS 63 2HE LYS 63 1.247 7.323 -10.730 502 HE3 LYS 63 1HE LYS 63 2.776 7.695 -11.527 503 HZ1 LYS 63 3HZ LYS 63 0.084 7.780 -12.782 504 HZ2 LYS 63 1HZ LYS 63 1.545 8.084 -13.582 505 HZ3 LYS 63 2HZ LYS 63 1.027 9.115 -12.348 506 H ILE 64 H ILE 64 2.162 6.134 -7.219 507 HA ILE 64 HA ILE 64 0.989 4.990 -4.876 508 HB ILE 64 HB ILE 64 1.323 7.901 -5.654 509 HG12 ILE 64 2HG1 ILE 64 3.022 6.075 -3.924 510 HG13 ILE 64 1HG1 ILE 64 3.464 6.718 -5.502 511 HG21 ILE 64 1HG2 ILE 64 -0.413 7.598 -3.943 512 HG22 ILE 64 2HG2 ILE 64 1.009 8.406 -3.286 513 HG23 ILE 64 3HG2 ILE 64 0.731 6.698 -2.946 514 HD11 ILE 64 3HD1 ILE 64 3.010 8.342 -3.007 515 HD12 ILE 64 1HD1 ILE 64 3.481 8.973 -4.585 516 HD13 ILE 64 2HD1 ILE 64 4.574 7.911 -3.699 517 H SER 65 H SER 65 -1.099 5.200 -4.072 518 HA SER 65 HA SER 65 -3.183 5.526 -6.083 519 HB2 SER 65 2HB SER 65 -4.674 4.615 -4.304 520 HB3 SER 65 1HB SER 65 -3.295 3.565 -4.644 521 HG SER 65 HG SER 65 -3.589 3.831 -2.398 522 H LEU 66 H LEU 66 -2.300 6.907 -2.932 523 HA LEU 66 HA LEU 66 -4.458 8.797 -2.936 524 HB2 LEU 66 2HB LEU 66 -1.965 8.671 -1.237 525 HB3 LEU 66 1HB LEU 66 -3.328 9.739 -0.949 526 HG LEU 66 HG LEU 66 -3.340 6.720 -0.792 527 HD11 LEU 66 1HD1 LEU 66 -2.298 7.794 1.127 528 HD12 LEU 66 2HD1 LEU 66 -3.851 7.088 1.572 529 HD13 LEU 66 3HD1 LEU 66 -3.710 8.831 1.335 530 HD21 LEU 66 3HD2 LEU 66 -5.677 6.928 -0.080 531 HD22 LEU 66 1HD2 LEU 66 -5.446 7.500 -1.732 532 HD23 LEU 66 2HD2 LEU 66 -5.625 8.660 -0.415 533 H LYS 67 H LYS 67 -4.124 11.152 -2.787 534 HA LYS 67 HA LYS 67 -1.962 12.116 -4.544 535 HB2 LYS 67 2HB LYS 67 -3.696 13.615 -5.633 536 HB3 LYS 67 1HB LYS 67 -3.804 11.903 -6.025 537 HG2 LYS 67 2HG LYS 67 -5.616 11.648 -4.378 538 HG3 LYS 67 1HG LYS 67 -5.523 13.376 -4.025 539 HD2 LYS 67 2HD LYS 67 -6.210 13.935 -6.262 540 HD3 LYS 67 1HD LYS 67 -6.101 12.247 -6.771 541 HE2 LYS 67 2HE LYS 67 -8.424 12.941 -6.391 542 HE3 LYS 67 1HE LYS 67 -7.938 11.658 -5.287 543 HZ1 LYS 67 3HZ LYS 67 -8.000 14.546 -4.596 544 HZ2 LYS 67 1HZ LYS 67 -7.668 13.267 -3.540 545 HZ3 LYS 67 2HZ LYS 67 -9.213 13.434 -4.203 546 H GLY 68 H GLY 68 -1.784 14.538 -4.538 547 HA2 GLY 68 2HA GLY 68 -1.483 16.526 -3.430 548 HA3 GLY 68 1HA GLY 68 -2.928 16.139 -2.508 549 H ARG 69 H ARG 69 -2.313 16.664 -0.463 550 HA ARG 69 HA ARG 69 0.230 16.315 0.673 551 HB2 ARG 69 2HB ARG 69 -2.482 16.414 2.015 552 HB3 ARG 69 1HB ARG 69 -0.943 16.559 2.861 553 HG2 ARG 69 2HG ARG 69 -0.450 18.626 1.805 554 HG3 ARG 69 1HG ARG 69 -1.769 18.432 0.649 555 HD2 ARG 69 2HD ARG 69 -2.093 18.783 3.632 556 HD3 ARG 69 1HD ARG 69 -2.309 20.051 2.423 557 HE ARG 69 HE ARG 69 -3.943 17.728 1.966 558 HH11 ARG 69 1HH1 ARG 69 -3.733 20.739 3.631 559 HH12 ARG 69 2HH1 ARG 69 -5.450 20.909 3.758 560 HH21 ARG 69 1HH2 ARG 69 -6.142 17.965 2.128 561 HH22 ARG 69 2HH2 ARG 69 -6.797 19.358 2.916 562 H ASP 70 H ASP 70 -2.387 14.049 0.251 563 HA ASP 70 HA ASP 70 -1.431 12.083 2.093 564 HB2 ASP 70 2HB ASP 70 -3.332 11.851 -0.249 565 HB3 ASP 70 1HB ASP 70 -3.031 10.573 0.928 566 H LEU 71 H LEU 71 -0.795 12.791 -1.287 567 HA LEU 71 HA LEU 71 0.582 10.423 -1.970 568 HB2 LEU 71 2HB LEU 71 -0.172 12.284 -3.521 569 HB3 LEU 71 1HB LEU 71 1.200 13.218 -2.964 570 HG LEU 71 HG LEU 71 1.530 10.514 -4.279 571 HD11 LEU 71 1HD1 LEU 71 1.982 11.705 -6.378 572 HD12 LEU 71 2HD1 LEU 71 1.489 13.220 -5.618 573 HD13 LEU 71 3HD1 LEU 71 0.317 11.921 -5.841 574 HD21 LEU 71 3HD2 LEU 71 3.489 11.285 -3.077 575 HD22 LEU 71 1HD2 LEU 71 3.415 12.847 -3.894 576 HD23 LEU 71 2HD2 LEU 71 3.782 11.386 -4.811 577 H ASP 72 H ASP 72 1.751 13.534 -0.682 578 HA ASP 72 HA ASP 72 4.417 12.821 -0.230 579 HB2 ASP 72 2HB ASP 72 2.660 14.733 1.330 580 HB3 ASP 72 1HB ASP 72 4.419 14.662 1.431 581 H ARG 73 H ARG 73 1.584 12.505 1.927 582 HA ARG 73 HA ARG 73 2.801 11.439 4.184 583 HB2 ARG 73 2HB ARG 73 0.090 10.916 2.964 584 HB3 ARG 73 1HB ARG 73 0.581 10.157 4.470 585 HG2 ARG 73 2HG ARG 73 0.804 12.300 5.541 586 HG3 ARG 73 1HG ARG 73 0.479 13.138 4.021 587 HD2 ARG 73 2HD ARG 73 -1.779 12.194 3.982 588 HD3 ARG 73 1HD ARG 73 -1.450 11.313 5.473 589 HE ARG 73 HE ARG 73 -1.154 13.587 6.504 590 HH11 ARG 73 1HH1 ARG 73 -3.223 13.091 3.782 591 HH12 ARG 73 2HH1 ARG 73 -4.197 14.471 4.147 592 HH21 ARG 73 1HH2 ARG 73 -2.471 15.309 6.984 593 HH22 ARG 73 2HH2 ARG 73 -3.796 15.688 5.937 594 H GLN 74 H GLN 74 1.389 9.568 1.474 595 HA GLN 74 HA GLN 74 2.225 7.048 2.416 596 HB2 GLN 74 2HB GLN 74 0.440 7.566 0.654 597 HB3 GLN 74 1HB GLN 74 1.763 7.729 -0.496 598 HG2 GLN 74 2HG GLN 74 2.428 5.432 -0.102 599 HG3 GLN 74 1HG GLN 74 1.186 5.262 1.132 600 HE21 GLN 74 1HE2 GLN 74 1.522 3.664 -1.202 601 HE22 GLN 74 2HE2 GLN 74 0.084 3.832 -2.140 602 H LYS 75 H LYS 75 3.665 9.229 0.009 603 HA LYS 75 HA LYS 75 5.813 7.627 -0.775 604 HB2 LYS 75 2HB LYS 75 5.256 9.571 -2.058 605 HB3 LYS 75 1HB LYS 75 5.516 10.632 -0.678 606 HG2 LYS 75 2HG LYS 75 7.903 10.152 -0.728 607 HG3 LYS 75 1HG LYS 75 7.665 9.032 -2.072 608 HD2 LYS 75 2HD LYS 75 6.954 10.834 -3.513 609 HD3 LYS 75 1HD LYS 75 6.989 11.977 -2.168 610 HE2 LYS 75 2HE LYS 75 8.964 12.188 -3.632 611 HE3 LYS 75 1HE LYS 75 9.395 11.741 -1.981 612 HZ1 LYS 75 3HZ LYS 75 9.629 9.444 -2.706 613 HZ2 LYS 75 1HZ LYS 75 10.640 10.461 -3.598 614 HZ3 LYS 75 2HZ LYS 75 9.217 9.875 -4.287 615 H GLN 76 H GLN 76 5.906 10.308 1.620 616 HA GLN 76 HA GLN 76 8.618 9.907 2.249 617 HB2 GLN 76 2HB GLN 76 6.449 11.329 3.792 618 HB3 GLN 76 1HB GLN 76 8.155 11.377 4.225 619 HG2 GLN 76 2HG GLN 76 8.649 12.324 1.983 620 HG3 GLN 76 1HG GLN 76 6.918 12.380 1.663 621 HE21 GLN 76 1HE2 GLN 76 8.936 14.507 1.812 622 HE22 GLN 76 2HE2 GLN 76 8.333 15.636 2.974 623 H LYS 77 H LYS 77 5.742 8.404 3.593 624 HA LYS 77 HA LYS 77 6.974 7.142 5.805 625 HB2 LYS 77 2HB LYS 77 4.604 6.466 4.076 626 HB3 LYS 77 1HB LYS 77 5.140 5.353 5.326 627 HG2 LYS 77 2HG LYS 77 4.379 8.225 5.841 628 HG3 LYS 77 1HG LYS 77 3.277 6.853 6.004 629 HD2 LYS 77 2HD LYS 77 4.872 5.853 7.648 630 HD3 LYS 77 1HD LYS 77 5.821 7.340 7.564 631 HE2 LYS 77 2HE LYS 77 3.939 8.624 8.393 632 HE3 LYS 77 1HE LYS 77 2.920 7.183 8.385 633 HZ1 LYS 77 3HZ LYS 77 3.717 7.634 10.593 634 HZ2 LYS 77 1HZ LYS 77 5.324 7.614 10.067 635 HZ3 LYS 77 2HZ LYS 77 4.406 6.195 10.031 636 H LEU 78 H LEU 78 6.498 6.037 2.456 637 HA LEU 78 HA LEU 78 7.895 3.601 2.618 638 HB2 LEU 78 2HB LEU 78 7.481 5.481 0.286 639 HB3 LEU 78 1HB LEU 78 8.077 3.838 0.136 640 HG LEU 78 HG LEU 78 5.399 4.459 1.376 641 HD11 LEU 78 1HD1 LEU 78 5.372 5.383 -0.866 642 HD12 LEU 78 2HD1 LEU 78 4.383 3.925 -0.790 643 HD13 LEU 78 3HD1 LEU 78 5.988 3.865 -1.522 644 HD21 LEU 78 3HD2 LEU 78 4.923 2.127 0.826 645 HD22 LEU 78 1HD2 LEU 78 6.347 2.258 1.856 646 HD23 LEU 78 2HD2 LEU 78 6.535 1.952 0.129 647 H GLU 79 H GLU 79 8.996 6.815 1.576 648 HA GLU 79 HA GLU 79 11.654 6.386 1.040 649 HB2 GLU 79 2HB GLU 79 10.495 8.746 2.550 650 HB3 GLU 79 1HB GLU 79 12.040 8.726 1.716 651 HG2 GLU 79 2HG GLU 79 9.413 8.288 0.314 652 HG3 GLU 79 1HG GLU 79 10.133 9.879 0.533 653 H ALA 80 H ALA 80 10.107 6.753 4.198 654 HA ALA 80 HA ALA 80 12.433 6.905 5.777 655 HB1 ALA 80 3HB ALA 80 9.727 5.841 6.581 656 HB2 ALA 80 1HB ALA 80 10.186 7.544 6.557 657 HB3 ALA 80 2HB ALA 80 10.991 6.430 7.661 658 H GLU 81 H GLU 81 10.673 4.131 4.496 659 HA GLU 81 HA GLU 81 12.299 2.272 6.063 660 HB2 GLU 81 2HB GLU 81 10.162 1.651 4.012 661 HB3 GLU 81 1HB GLU 81 10.888 0.520 5.149 662 HG2 GLU 81 2HG GLU 81 9.978 2.074 6.979 663 HG3 GLU 81 1HG GLU 81 8.986 2.776 5.704 664 H GLY 82 H GLY 82 12.812 3.962 3.305 665 HA2 GLY 82 2HA GLY 82 14.791 3.729 2.015 666 HA3 GLY 82 1HA GLY 82 14.801 2.009 2.369 667 H ILE 83 H ILE 83 11.706 2.934 1.510 668 HA ILE 83 HA ILE 83 11.960 1.684 -1.100 669 HB ILE 83 HB ILE 83 9.491 2.749 0.290 670 HG12 ILE 83 2HG1 ILE 83 10.529 -0.098 0.133 671 HG13 ILE 83 1HG1 ILE 83 10.682 0.941 1.545 672 HG21 ILE 83 1HG2 ILE 83 9.190 2.554 -2.123 673 HG22 ILE 83 2HG2 ILE 83 8.258 1.313 -1.286 674 HG23 ILE 83 3HG2 ILE 83 9.777 0.890 -2.076 675 HD11 ILE 83 3HD1 ILE 83 8.114 -0.046 0.329 676 HD12 ILE 83 1HD1 ILE 83 8.239 1.035 1.718 677 HD13 ILE 83 2HD1 ILE 83 8.861 -0.612 1.824 678 H GLU 84 H GLU 84 12.729 2.967 -2.665 679 HA GLU 84 HA GLU 84 12.489 5.831 -2.547 680 HB2 GLU 84 2HB GLU 84 13.762 4.014 -4.603 681 HB3 GLU 84 1HB GLU 84 13.937 5.765 -4.552 682 HG2 GLU 84 2HG GLU 84 15.078 5.651 -2.439 683 HG3 GLU 84 1HG GLU 84 14.768 3.919 -2.318 684 H VAL 85 H VAL 85 10.700 6.829 -3.193 685 HA VAL 85 HA VAL 85 9.073 5.746 -5.385 686 HB VAL 85 HB VAL 85 8.447 8.044 -3.515 687 HG11 VAL 85 1HG1 VAL 85 6.669 6.450 -5.365 688 HG12 VAL 85 2HG1 VAL 85 7.171 8.128 -5.583 689 HG13 VAL 85 3HG1 VAL 85 6.124 7.689 -4.233 690 HG21 VAL 85 3HG2 VAL 85 7.584 5.152 -3.311 691 HG22 VAL 85 1HG2 VAL 85 7.050 6.469 -2.265 692 HG23 VAL 85 2HG2 VAL 85 8.741 5.963 -2.255 693 H SER 86 H SER 86 9.303 6.536 -7.386 694 HA SER 86 HA SER 86 10.874 8.727 -8.139 695 HB2 SER 86 2HB SER 86 10.375 7.028 -9.767 696 HB3 SER 86 1HB SER 86 8.643 7.331 -9.634 697 HG SER 86 HG SER 86 9.875 8.313 -11.470 698 H GLU 87 H GLU 87 10.335 10.751 -9.037 699 HA GLU 87 HA GLU 87 8.864 12.402 -7.394 700 HB2 GLU 87 2HB GLU 87 9.101 14.121 -9.167 701 HB3 GLU 87 1HB GLU 87 10.598 13.261 -8.839 702 HG2 GLU 87 2HG GLU 87 10.311 11.917 -10.834 703 HG3 GLU 87 1HG GLU 87 8.741 12.658 -11.139 704 H ILE 88 H ILE 88 7.758 10.918 -10.431 705 HA ILE 88 HA ILE 88 5.243 12.349 -10.351 706 HB ILE 88 HB ILE 88 4.635 10.886 -12.325 707 HG12 ILE 88 2HG1 ILE 88 6.743 9.864 -13.453 708 HG13 ILE 88 1HG1 ILE 88 7.447 9.876 -11.842 709 HG21 ILE 88 1HG2 ILE 88 7.153 12.542 -12.507 710 HG22 ILE 88 2HG2 ILE 88 5.495 13.137 -12.597 711 HG23 ILE 88 3HG2 ILE 88 6.124 12.088 -13.867 712 HD11 ILE 88 3HD1 ILE 88 4.931 8.436 -12.653 713 HD12 ILE 88 1HD1 ILE 88 5.662 8.423 -11.048 714 HD13 ILE 88 2HD1 ILE 88 6.518 7.706 -12.412 715 H GLY 89 H GLY 89 6.110 10.340 -8.212 716 HA2 GLY 89 2HA GLY 89 4.894 9.142 -6.665 717 HA3 GLY 89 1HA GLY 89 3.462 9.401 -7.648 718 H LYS 90 H LYS 90 6.555 7.684 -8.237 719 HA LYS 90 HA LYS 90 4.947 5.256 -8.811 720 HB2 LYS 90 2HB LYS 90 5.752 6.228 -10.915 721 HB3 LYS 90 1HB LYS 90 7.407 6.185 -10.314 722 HG2 LYS 90 2HG LYS 90 7.167 3.688 -10.118 723 HG3 LYS 90 1HG LYS 90 5.623 3.838 -10.955 724 HD2 LYS 90 2HD LYS 90 6.759 4.804 -12.895 725 HD3 LYS 90 1HD LYS 90 8.306 4.713 -12.047 726 HE2 LYS 90 2HE LYS 90 6.558 2.397 -12.895 727 HE3 LYS 90 1HE LYS 90 8.124 2.847 -13.569 728 HZ1 LYS 90 3HZ LYS 90 8.375 1.010 -12.055 729 HZ2 LYS 90 1HZ LYS 90 7.617 1.867 -10.809 730 HZ3 LYS 90 2HZ LYS 90 9.120 2.375 -11.390 731 H ILE 91 H ILE 91 5.828 3.262 -8.267 732 HA ILE 91 HA ILE 91 8.387 3.278 -6.781 733 HB ILE 91 HB ILE 91 5.990 1.500 -6.227 734 HG12 ILE 91 2HG1 ILE 91 7.069 3.858 -4.652 735 HG13 ILE 91 1HG1 ILE 91 5.555 3.822 -5.550 736 HG21 ILE 91 1HG2 ILE 91 7.234 0.779 -4.243 737 HG22 ILE 91 2HG2 ILE 91 8.600 1.784 -4.726 738 HG23 ILE 91 3HG2 ILE 91 8.122 0.410 -5.723 739 HD11 ILE 91 3HD1 ILE 91 6.235 2.198 -3.111 740 HD12 ILE 91 1HD1 ILE 91 4.743 2.054 -4.042 741 HD13 ILE 91 2HD1 ILE 91 5.120 3.561 -3.210 742 H ALA 92 H ALA 92 9.710 1.378 -7.034 743 HA ALA 92 HA ALA 92 9.317 -0.006 -9.563 744 HB1 ALA 92 3HB ALA 92 11.554 -0.915 -9.182 745 HB2 ALA 92 1HB ALA 92 11.577 -0.205 -7.568 746 HB3 ALA 92 2HB ALA 92 11.540 0.837 -8.990 747 H LEU 93 H LEU 93 7.608 -1.441 -9.265 748 HA LEU 93 HA LEU 93 7.159 -3.027 -7.001 749 HB2 LEU 93 2HB LEU 93 6.293 -3.321 -9.866 750 HB3 LEU 93 1HB LEU 93 5.824 -4.490 -8.647 751 HG LEU 93 HG LEU 93 5.161 -1.537 -8.578 752 HD11 LEU 93 1HD1 LEU 93 3.425 -3.937 -9.171 753 HD12 LEU 93 2HD1 LEU 93 3.922 -2.695 -10.321 754 HD13 LEU 93 3HD1 LEU 93 2.856 -2.278 -8.982 755 HD21 LEU 93 3HD2 LEU 93 4.307 -3.789 -6.747 756 HD22 LEU 93 1HD2 LEU 93 3.747 -2.118 -6.667 757 HD23 LEU 93 2HD2 LEU 93 5.436 -2.497 -6.339 758 H ARG 94 H ARG 94 8.682 -4.017 -10.095 759 HA ARG 94 HA ARG 94 9.259 -6.648 -9.363 760 HB2 ARG 94 2HB ARG 94 9.416 -5.831 -11.666 761 HB3 ARG 94 1HB ARG 94 10.796 -4.829 -11.239 762 HG2 ARG 94 2HG ARG 94 12.186 -6.724 -10.910 763 HG3 ARG 94 1HG ARG 94 10.813 -7.831 -10.981 764 HD2 ARG 94 2HD ARG 94 12.103 -7.885 -13.054 765 HD3 ARG 94 1HD ARG 94 10.474 -7.277 -13.336 766 HE ARG 94 HE ARG 94 11.734 -4.989 -13.123 767 HH11 ARG 94 1HH1 ARG 94 12.889 -7.849 -14.658 768 HH12 ARG 94 2HH1 ARG 94 13.764 -6.980 -15.868 769 HH21 ARG 94 1HH2 ARG 94 12.871 -3.878 -14.679 770 HH22 ARG 94 2HH2 ARG 94 13.774 -4.749 -15.863 771 H LYS 95 H LYS 95 10.727 -3.743 -8.263 772 HA LYS 95 HA LYS 95 13.119 -5.070 -7.241 773 HB2 LYS 95 2HB LYS 95 12.956 -2.655 -8.219 774 HB3 LYS 95 1HB LYS 95 12.319 -2.222 -6.643 775 HG2 LYS 95 2HG LYS 95 15.021 -3.478 -7.146 776 HG3 LYS 95 1HG LYS 95 14.727 -1.763 -6.870 777 HD2 LYS 95 2HD LYS 95 13.877 -2.264 -4.626 778 HD3 LYS 95 1HD LYS 95 14.133 -3.986 -4.904 779 HE2 LYS 95 2HE LYS 95 16.564 -3.479 -5.250 780 HE3 LYS 95 1HE LYS 95 16.232 -1.826 -4.733 781 HZ1 LYS 95 3HZ LYS 95 17.055 -3.189 -2.913 782 HZ2 LYS 95 1HZ LYS 95 15.774 -4.273 -3.113 783 HZ3 LYS 95 2HZ LYS 95 15.470 -2.689 -2.605 784 H TYR 96 H TYR 96 10.119 -3.584 -5.985 785 HA TYR 96 HA TYR 96 10.981 -4.251 -3.235 786 HB2 TYR 96 2HB TYR 96 8.981 -2.196 -4.200 787 HB3 TYR 96 1HB TYR 96 9.324 -2.537 -2.511 788 HD1 TYR 96 HD1 TYR 96 11.660 -2.053 -1.637 789 HD2 TYR 96 HD2 TYR 96 10.295 -0.670 -5.425 790 HE1 TYR 96 HE1 TYR 96 13.424 -0.342 -1.644 791 HE2 TYR 96 HE2 TYR 96 12.062 1.037 -5.445 792 HH TYR 96 HH TYR 96 14.662 1.030 -3.250 793 H LYS 97 H LYS 97 9.267 -5.851 -5.385 794 HA LYS 97 HA LYS 97 6.608 -5.877 -4.526 795 HB2 LYS 97 2HB LYS 97 7.559 -6.813 -6.678 796 HB3 LYS 97 1HB LYS 97 8.044 -8.229 -5.755 797 HG2 LYS 97 2HG LYS 97 5.724 -8.669 -5.172 798 HG3 LYS 97 1HG LYS 97 5.227 -7.212 -6.041 799 HD2 LYS 97 2HD LYS 97 6.005 -8.142 -8.131 800 HD3 LYS 97 1HD LYS 97 6.649 -9.556 -7.297 801 HE2 LYS 97 2HE LYS 97 4.519 -10.076 -8.370 802 HE3 LYS 97 1HE LYS 97 4.371 -10.181 -6.618 803 HZ1 LYS 97 3HZ LYS 97 2.542 -8.994 -7.897 804 HZ2 LYS 97 1HZ LYS 97 3.631 -7.720 -8.079 805 HZ3 LYS 97 2HZ LYS 97 3.148 -8.208 -6.530 806 H TRP 98 H TRP 98 5.523 -6.858 -2.939 807 HA TRP 98 HA TRP 98 6.794 -7.868 -0.677 808 HB2 TRP 98 2HB TRP 98 4.602 -6.913 -0.482 809 HB3 TRP 98 1HB TRP 98 3.918 -8.106 -1.579 810 HD1 TRP 98 HD1 TRP 98 6.240 -9.174 1.290 811 HE1 TRP 98 HE1 TRP 98 4.878 -10.558 2.976 812 HE3 TRP 98 HE3 TRP 98 1.571 -8.494 -0.679 813 HZ2 TRP 98 HZ2 TRP 98 2.198 -11.272 3.410 814 HZ3 TRP 98 HZ3 TRP 98 -0.342 -9.563 0.442 815 HH2 TRP 98 HH2 TRP 98 -0.032 -10.925 2.449 816 H GLN 99 H GLN 99 8.072 -9.600 -0.816 817 HA GLN 99 HA GLN 99 6.964 -12.138 -1.790 818 HB2 GLN 99 2HB GLN 99 9.139 -11.685 -2.683 819 HB3 GLN 99 1HB GLN 99 9.776 -11.264 -1.099 820 HG2 GLN 99 2HG GLN 99 9.642 -13.557 -0.379 821 HG3 GLN 99 1HG GLN 99 8.840 -14.020 -1.880 822 HE21 GLN 99 1HE2 GLN 99 10.486 -15.540 -2.280 823 HE22 GLN 99 2HE2 GLN 99 12.040 -15.049 -2.853 824 HA PRO 100 HA PRO 100 6.258 -12.810 2.683 825 HB2 PRO 100 2HB PRO 100 4.380 -14.743 2.379 826 HB3 PRO 100 1HB PRO 100 4.005 -13.023 2.207 827 HG2 PRO 100 2HG PRO 100 4.549 -15.063 0.075 828 HG3 PRO 100 1HG PRO 100 3.276 -13.829 0.138 829 HD2 PRO 100 2HD PRO 100 5.559 -13.506 -1.303 830 HD3 PRO 100 1HD PRO 100 4.704 -12.145 -0.553 831 H LEU 101 H LEU 101 7.207 -15.004 0.149 832 HA LEU 101 HA LEU 101 8.275 -16.900 2.151 833 HB2 LEU 101 2HB LEU 101 7.183 -17.534 -0.598 834 HB3 LEU 101 1HB LEU 101 7.917 -18.698 0.492 835 HG LEU 101 HG LEU 101 5.345 -17.183 1.007 836 HD11 LEU 101 1HD1 LEU 101 4.259 -19.358 0.732 837 HD12 LEU 101 2HD1 LEU 101 5.810 -20.087 0.314 838 HD13 LEU 101 3HD1 LEU 101 5.093 -18.867 -0.740 839 HD21 LEU 101 3HD2 LEU 101 6.513 -17.634 3.085 840 HD22 LEU 101 1HD2 LEU 101 6.734 -19.323 2.628 841 HD23 LEU 101 2HD2 LEU 101 5.116 -18.700 2.939 842 H GLU 102 H GLU 102 10.398 -16.312 2.216 843 HA GLU 102 HA GLU 102 11.909 -15.365 0.013 844 HB2 GLU 102 2HB GLU 102 12.846 -16.553 2.638 845 HB3 GLU 102 1HB GLU 102 13.870 -15.681 1.507 846 HG2 GLU 102 2HG GLU 102 11.463 -14.499 2.882 847 HG3 GLU 102 1HG GLU 102 13.118 -14.346 3.464 Start of MODEL 6 1 H1 MET 1 1H MET 1 -16.856 -3.247 13.604 2 H2 MET 1 2H MET 1 -15.647 -2.720 14.663 3 H3 MET 1 3H MET 1 -15.798 -4.367 14.305 4 HA MET 1 HA MET 1 -15.055 -2.233 12.388 5 HB2 MET 1 2HB MET 1 -13.337 -2.863 14.129 6 HB3 MET 1 1HB MET 1 -13.347 -4.491 13.468 7 HG2 MET 1 2HG MET 1 -11.468 -3.194 12.626 8 HG3 MET 1 1HG MET 1 -12.571 -3.634 11.321 9 HE1 MET 1 3HE MET 1 -11.167 -1.755 9.902 10 HE2 MET 1 1HE MET 1 -10.254 -1.277 11.332 11 HE3 MET 1 2HE MET 1 -11.094 -0.057 10.373 12 H ASP 2 H ASP 2 -15.626 -2.741 10.357 13 HA ASP 2 HA ASP 2 -17.063 -5.087 9.789 14 HB2 ASP 2 2HB ASP 2 -17.321 -2.857 8.659 15 HB3 ASP 2 1HB ASP 2 -15.848 -3.210 7.756 16 H GLN 3 H GLN 3 -16.614 -6.934 8.627 17 HA GLN 3 HA GLN 3 -14.054 -8.034 8.952 18 HB2 GLN 3 2HB GLN 3 -16.506 -8.934 7.469 19 HB3 GLN 3 1HB GLN 3 -15.022 -9.875 7.407 20 HG2 GLN 3 2HG GLN 3 -16.647 -10.655 9.113 21 HG3 GLN 3 1HG GLN 3 -15.065 -10.242 9.769 22 HE21 GLN 3 1HE2 GLN 3 -14.864 -8.412 11.071 23 HE22 GLN 3 2HE2 GLN 3 -16.226 -7.617 11.768 24 H PHE 4 H PHE 4 -15.455 -6.383 6.176 25 HA PHE 4 HA PHE 4 -13.597 -7.167 4.220 26 HB2 PHE 4 2HB PHE 4 -15.529 -5.883 3.567 27 HB3 PHE 4 1HB PHE 4 -15.059 -4.543 4.609 28 HD1 PHE 4 HD1 PHE 4 -13.725 -6.533 1.736 29 HD2 PHE 4 HD2 PHE 4 -14.006 -2.727 3.634 30 HE1 PHE 4 HE1 PHE 4 -12.505 -5.510 -0.137 31 HE2 PHE 4 HE2 PHE 4 -12.786 -1.702 1.760 32 HZ PHE 4 HZ PHE 4 -12.032 -3.092 -0.126 33 H LEU 5 H LEU 5 -13.507 -4.416 6.460 34 HA LEU 5 HA LEU 5 -10.904 -3.529 5.761 35 HB2 LEU 5 2HB LEU 5 -12.418 -3.099 8.344 36 HB3 LEU 5 1HB LEU 5 -11.071 -2.138 7.757 37 HG LEU 5 HG LEU 5 -13.790 -2.328 6.440 38 HD11 LEU 5 1HD1 LEU 5 -13.873 -1.103 8.551 39 HD12 LEU 5 2HD1 LEU 5 -14.095 -0.022 7.176 40 HD13 LEU 5 3HD1 LEU 5 -12.544 -0.072 8.016 41 HD21 LEU 5 3HD2 LEU 5 -12.979 -0.496 5.018 42 HD22 LEU 5 1HD2 LEU 5 -12.027 -1.966 4.809 43 HD23 LEU 5 2HD2 LEU 5 -11.386 -0.630 5.765 44 H VAL 6 H VAL 6 -12.117 -5.534 8.438 45 HA VAL 6 HA VAL 6 -9.767 -5.884 9.876 46 HB VAL 6 HB VAL 6 -12.040 -7.850 9.478 47 HG11 VAL 6 1HG1 VAL 6 -11.315 -8.885 11.580 48 HG12 VAL 6 2HG1 VAL 6 -9.897 -7.834 11.608 49 HG13 VAL 6 3HG1 VAL 6 -10.084 -9.029 10.323 50 HG21 VAL 6 3HG2 VAL 6 -12.860 -6.984 11.620 51 HG22 VAL 6 1HG2 VAL 6 -12.753 -5.709 10.407 52 HG23 VAL 6 2HG2 VAL 6 -11.525 -5.831 11.666 53 H GLN 7 H GLN 7 -10.991 -7.901 7.180 54 HA GLN 7 HA GLN 7 -8.852 -9.765 7.303 55 HB2 GLN 7 2HB GLN 7 -10.868 -9.162 5.142 56 HB3 GLN 7 1HB GLN 7 -9.701 -10.474 5.032 57 HG2 GLN 7 2HG GLN 7 -11.840 -10.162 7.139 58 HG3 GLN 7 1HG GLN 7 -11.866 -11.286 5.780 59 HE21 GLN 7 1HE2 GLN 7 -10.515 -10.595 8.892 60 HE22 GLN 7 2HE2 GLN 7 -9.762 -12.129 9.134 61 H ILE 8 H ILE 8 -9.455 -7.068 4.991 62 HA ILE 8 HA ILE 8 -7.146 -7.508 3.455 63 HB ILE 8 HB ILE 8 -7.357 -5.183 2.661 64 HG12 ILE 8 2HG1 ILE 8 -9.545 -4.944 4.752 65 HG13 ILE 8 1HG1 ILE 8 -8.000 -4.103 4.780 66 HG21 ILE 8 1HG2 ILE 8 -9.978 -6.677 2.862 67 HG22 ILE 8 2HG2 ILE 8 -8.722 -6.915 1.646 68 HG23 ILE 8 3HG2 ILE 8 -9.616 -5.397 1.701 69 HD11 ILE 8 3HD1 ILE 8 -9.798 -2.649 4.041 70 HD12 ILE 8 1HD1 ILE 8 -10.154 -3.746 2.706 71 HD13 ILE 8 2HD1 ILE 8 -8.612 -2.891 2.759 72 H PHE 9 H PHE 9 -7.596 -5.455 6.338 73 HA PHE 9 HA PHE 9 -4.940 -4.493 6.478 74 HB2 PHE 9 2HB PHE 9 -6.933 -4.983 8.710 75 HB3 PHE 9 1HB PHE 9 -5.434 -4.078 8.887 76 HD1 PHE 9 HD1 PHE 9 -6.222 -3.074 5.779 77 HD2 PHE 9 HD2 PHE 9 -7.834 -2.792 9.717 78 HE1 PHE 9 HE1 PHE 9 -7.391 -1.004 5.153 79 HE2 PHE 9 HE2 PHE 9 -9.005 -0.725 9.087 80 HZ PHE 9 HZ PHE 9 -8.784 0.173 6.802 81 H ALA 10 H ALA 10 -6.491 -7.359 7.897 82 HA ALA 10 HA ALA 10 -4.337 -8.354 9.370 83 HB1 ALA 10 3HB ALA 10 -6.616 -9.211 9.579 84 HB2 ALA 10 1HB ALA 10 -5.467 -10.512 9.279 85 HB3 ALA 10 2HB ALA 10 -6.499 -9.931 7.973 86 H VAL 11 H VAL 11 -4.804 -8.339 5.925 87 HA VAL 11 HA VAL 11 -2.742 -10.320 5.411 88 HB VAL 11 HB VAL 11 -4.054 -8.372 3.492 89 HG11 VAL 11 1HG1 VAL 11 -1.887 -9.183 2.683 90 HG12 VAL 11 2HG1 VAL 11 -3.216 -9.839 1.727 91 HG13 VAL 11 3HG1 VAL 11 -2.415 -10.850 2.931 92 HG21 VAL 11 3HG2 VAL 11 -5.677 -9.907 4.505 93 HG22 VAL 11 1HG2 VAL 11 -4.682 -11.282 4.024 94 HG23 VAL 11 2HG2 VAL 11 -5.438 -10.268 2.795 95 H ILE 12 H ILE 12 -3.039 -6.786 5.273 96 HA ILE 12 HA ILE 12 -0.540 -6.209 4.131 97 HB ILE 12 HB ILE 12 -2.183 -4.506 6.011 98 HG12 ILE 12 2HG1 ILE 12 -2.117 -4.570 2.982 99 HG13 ILE 12 1HG1 ILE 12 -3.380 -5.282 3.977 100 HG21 ILE 12 1HG2 ILE 12 0.104 -3.665 5.847 101 HG22 ILE 12 2HG2 ILE 12 -1.012 -2.589 5.007 102 HG23 ILE 12 3HG2 ILE 12 0.006 -3.696 4.084 103 HD11 ILE 12 3HD1 ILE 12 -3.929 -3.054 4.845 104 HD12 ILE 12 1HD1 ILE 12 -4.094 -3.160 3.093 105 HD13 ILE 12 2HD1 ILE 12 -2.690 -2.361 3.797 106 H HIS 13 H HIS 13 -1.386 -6.852 7.506 107 HA HIS 13 HA HIS 13 0.865 -5.859 8.812 108 HB2 HIS 13 2HB HIS 13 -0.859 -8.261 9.432 109 HB3 HIS 13 1HB HIS 13 0.453 -7.752 10.489 110 HD2 HIS 13 HD2 HIS 13 -3.215 -7.068 9.941 111 HE1 HIS 13 HE1 HIS 13 -1.699 -3.890 12.285 112 HE2 HIS 13 HE2 HIS 13 -3.771 -5.184 11.632 113 H GLN 14 H GLN 14 0.772 -8.465 6.579 114 HA GLN 14 HA GLN 14 3.186 -9.731 7.635 115 HB2 GLN 14 2HB GLN 14 1.256 -10.439 5.438 116 HB3 GLN 14 1HB GLN 14 2.821 -11.232 5.546 117 HG2 GLN 14 2HG GLN 14 1.103 -12.575 6.592 118 HG3 GLN 14 1HG GLN 14 2.271 -12.030 7.787 119 HE21 GLN 14 1HE2 GLN 14 -0.327 -10.093 6.433 120 HE22 GLN 14 2HE2 GLN 14 -1.207 -9.929 7.906 121 H ILE 15 H ILE 15 2.633 -7.091 5.745 122 HA ILE 15 HA ILE 15 4.778 -7.525 3.821 123 HB ILE 15 HB ILE 15 3.190 -5.009 4.385 124 HG12 ILE 15 2HG1 ILE 15 2.801 -7.080 2.197 125 HG13 ILE 15 1HG1 ILE 15 1.770 -6.905 3.615 126 HG21 ILE 15 1HG2 ILE 15 3.989 -4.284 2.166 127 HG22 ILE 15 2HG2 ILE 15 4.978 -5.742 2.058 128 HG23 ILE 15 3HG2 ILE 15 5.318 -4.536 3.301 129 HD11 ILE 15 3HD1 ILE 15 0.765 -5.889 1.657 130 HD12 ILE 15 1HD1 ILE 15 2.171 -4.845 1.456 131 HD13 ILE 15 2HD1 ILE 15 1.135 -4.669 2.875 132 HA PRO 16 HA PRO 16 7.643 -5.958 6.951 133 HB2 PRO 16 2HB PRO 16 9.929 -6.653 5.710 134 HB3 PRO 16 1HB PRO 16 8.878 -7.851 6.475 135 HG2 PRO 16 2HG PRO 16 9.128 -7.122 3.581 136 HG3 PRO 16 1HG PRO 16 8.980 -8.726 4.322 137 HD2 PRO 16 2HD PRO 16 6.882 -7.369 3.182 138 HD3 PRO 16 1HD PRO 16 6.694 -8.582 4.464 139 H LYS 17 H LYS 17 9.557 -4.476 6.989 140 HA LYS 17 HA LYS 17 9.015 -2.041 5.692 141 HB2 LYS 17 2HB LYS 17 10.241 -2.252 7.847 142 HB3 LYS 17 1HB LYS 17 11.619 -2.916 6.978 143 HG2 LYS 17 2HG LYS 17 11.717 -0.770 5.673 144 HG3 LYS 17 1HG LYS 17 10.488 -0.129 6.763 145 HD2 LYS 17 2HD LYS 17 12.006 -0.547 8.673 146 HD3 LYS 17 1HD LYS 17 13.239 -1.115 7.547 147 HE2 LYS 17 2HE LYS 17 13.785 1.141 8.048 148 HE3 LYS 17 1HE LYS 17 13.092 1.151 6.427 149 HZ1 LYS 17 3HZ LYS 17 12.208 2.959 7.720 150 HZ2 LYS 17 1HZ LYS 17 11.689 1.901 8.930 151 HZ3 LYS 17 2HZ LYS 17 10.977 1.848 7.403 152 H GLY 18 H GLY 18 9.625 -1.223 3.762 153 HA2 GLY 18 2HA GLY 18 11.061 -0.817 1.949 154 HA3 GLY 18 1HA GLY 18 12.025 -2.205 2.419 155 H LYS 19 H LYS 19 8.858 -3.221 2.417 156 HA LYS 19 HA LYS 19 8.960 -3.971 -0.442 157 HB2 LYS 19 2HB LYS 19 7.873 -5.606 1.868 158 HB3 LYS 19 1HB LYS 19 7.798 -6.070 0.172 159 HG2 LYS 19 2HG LYS 19 10.313 -5.682 1.793 160 HG3 LYS 19 1HG LYS 19 9.607 -7.228 1.319 161 HD2 LYS 19 2HD LYS 19 9.961 -6.668 -1.042 162 HD3 LYS 19 1HD LYS 19 10.648 -5.111 -0.577 163 HE2 LYS 19 2HE LYS 19 11.765 -7.828 0.121 164 HE3 LYS 19 1HE LYS 19 12.399 -6.735 -1.107 165 HZ1 LYS 19 3HZ LYS 19 12.330 -6.253 1.827 166 HZ2 LYS 19 1HZ LYS 19 12.831 -5.113 0.681 167 HZ3 LYS 19 2HZ LYS 19 13.697 -6.548 0.878 168 H VAL 20 H VAL 20 7.007 -4.036 -1.597 169 HA VAL 20 HA VAL 20 4.670 -2.789 -0.295 170 HB VAL 20 HB VAL 20 4.200 -1.534 -2.367 171 HG11 VAL 20 1HG1 VAL 20 5.378 -0.412 -0.561 172 HG12 VAL 20 2HG1 VAL 20 5.956 0.170 -2.121 173 HG13 VAL 20 3HG1 VAL 20 6.927 -0.973 -1.192 174 HG21 VAL 20 3HG2 VAL 20 5.926 -1.312 -4.106 175 HG22 VAL 20 1HG2 VAL 20 5.342 -2.971 -3.977 176 HG23 VAL 20 2HG2 VAL 20 6.906 -2.530 -3.287 177 H SER 21 H SER 21 2.616 -3.235 -1.276 178 HA SER 21 HA SER 21 2.548 -5.485 -3.196 179 HB2 SER 21 2HB SER 21 0.770 -5.235 -0.747 180 HB3 SER 21 1HB SER 21 0.658 -6.492 -1.979 181 HG SER 21 HG SER 21 3.038 -6.049 -0.529 182 H THR 22 H THR 22 0.408 -5.675 -4.319 183 HA THR 22 HA THR 22 -0.661 -3.000 -4.881 184 HB THR 22 HB THR 22 -1.704 -3.954 -6.853 185 HG1 THR 22 HG1 THR 22 -0.605 -6.494 -6.221 186 HG21 THR 22 3HG2 THR 22 0.286 -4.757 -8.062 187 HG22 THR 22 1HG2 THR 22 1.126 -4.976 -6.526 188 HG23 THR 22 2HG2 THR 22 0.661 -3.357 -7.056 189 H TYR 23 H TYR 23 -2.866 -2.472 -4.776 190 HA TYR 23 HA TYR 23 -4.410 -3.395 -2.683 191 HB2 TYR 23 2HB TYR 23 -5.461 -2.244 -5.286 192 HB3 TYR 23 1HB TYR 23 -6.343 -2.320 -3.766 193 HD1 TYR 23 HD2 TYR 23 -4.935 -1.200 -1.719 194 HD2 TYR 23 HD1 TYR 23 -4.576 -0.190 -5.842 195 HE1 TYR 23 HE2 TYR 23 -4.059 1.014 -1.100 196 HE2 TYR 23 HE1 TYR 23 -3.700 2.021 -5.229 197 HH TYR 23 HH TYR 23 -2.704 2.802 -2.067 198 H GLY 24 H GLY 24 -4.368 -4.562 -6.027 199 HA2 GLY 24 2HA GLY 24 -6.576 -6.283 -5.955 200 HA3 GLY 24 1HA GLY 24 -5.181 -6.470 -7.004 201 H GLU 25 H GLU 25 -3.149 -7.003 -5.244 202 HA GLU 25 HA GLU 25 -3.473 -9.732 -4.674 203 HB2 GLU 25 2HB GLU 25 -1.449 -7.742 -3.623 204 HB3 GLU 25 1HB GLU 25 -1.342 -9.480 -3.364 205 HG2 GLU 25 2HG GLU 25 -1.188 -9.857 -5.749 206 HG3 GLU 25 1HG GLU 25 -1.385 -8.134 -6.058 207 H ILE 26 H ILE 26 -3.303 -6.995 -2.385 208 HA ILE 26 HA ILE 26 -3.658 -8.406 -0.021 209 HB ILE 26 HB ILE 26 -4.635 -5.608 -0.663 210 HG12 ILE 26 2HG1 ILE 26 -2.229 -5.897 -1.069 211 HG13 ILE 26 1HG1 ILE 26 -2.499 -4.877 0.339 212 HG21 ILE 26 1HG2 ILE 26 -4.506 -5.212 1.769 213 HG22 ILE 26 2HG2 ILE 26 -4.145 -6.922 2.017 214 HG23 ILE 26 3HG2 ILE 26 -5.707 -6.435 1.355 215 HD11 ILE 26 3HD1 ILE 26 -0.673 -6.449 0.689 216 HD12 ILE 26 1HD1 ILE 26 -1.769 -7.798 0.401 217 HD13 ILE 26 2HD1 ILE 26 -2.002 -6.757 1.805 218 H ALA 27 H ALA 27 -6.200 -6.863 -2.015 219 HA ALA 27 HA ALA 27 -8.381 -7.699 -0.431 220 HB1 ALA 27 3HB ALA 27 -8.388 -7.064 -3.384 221 HB2 ALA 27 1HB ALA 27 -8.499 -5.876 -2.085 222 HB3 ALA 27 2HB ALA 27 -9.782 -7.064 -2.304 223 H LYS 28 H LYS 28 -6.902 -9.164 -3.321 224 HA LYS 28 HA LYS 28 -8.798 -11.242 -3.628 225 HB2 LYS 28 2HB LYS 28 -7.166 -10.434 -5.372 226 HB3 LYS 28 1HB LYS 28 -5.901 -11.304 -4.512 227 HG2 LYS 28 2HG LYS 28 -7.046 -13.413 -4.906 228 HG3 LYS 28 1HG LYS 28 -8.376 -12.562 -5.696 229 HD2 LYS 28 2HD LYS 28 -6.779 -11.731 -7.401 230 HD3 LYS 28 1HD LYS 28 -5.503 -12.680 -6.636 231 HE2 LYS 28 2HE LYS 28 -6.373 -13.869 -8.557 232 HE3 LYS 28 1HE LYS 28 -6.802 -14.734 -7.082 233 HZ1 LYS 28 3HZ LYS 28 -8.643 -14.602 -8.659 234 HZ2 LYS 28 1HZ LYS 28 -8.610 -12.915 -8.575 235 HZ3 LYS 28 2HZ LYS 28 -9.015 -13.820 -7.208 236 H MET 29 H MET 29 -5.782 -11.046 -1.785 237 HA MET 29 HA MET 29 -5.701 -13.778 -0.980 238 HB2 MET 29 2HB MET 29 -4.520 -11.309 0.319 239 HB3 MET 29 1HB MET 29 -4.178 -12.952 0.833 240 HG2 MET 29 2HG MET 29 -3.232 -13.426 -1.389 241 HG3 MET 29 1HG MET 29 -3.523 -11.746 -1.845 242 HE1 MET 29 3HE MET 29 -1.037 -11.228 -2.472 243 HE2 MET 29 1HE MET 29 -0.668 -12.929 -2.205 244 HE3 MET 29 2HE MET 29 0.344 -11.682 -1.474 245 H ALA 30 H ALA 30 -7.025 -10.847 0.514 246 HA ALA 30 HA ALA 30 -7.956 -12.045 2.898 247 HB1 ALA 30 3HB ALA 30 -9.276 -10.018 3.185 248 HB2 ALA 30 1HB ALA 30 -9.005 -9.583 1.497 249 HB3 ALA 30 2HB ALA 30 -7.650 -9.625 2.626 250 H GLY 31 H GLY 31 -9.242 -12.045 -0.320 251 HA2 GLY 31 2HA GLY 31 -10.835 -13.721 -0.967 252 HA3 GLY 31 1HA GLY 31 -11.560 -13.611 0.627 253 H TYR 32 H TYR 32 -10.723 -10.803 -1.322 254 HA TYR 32 HA TYR 32 -13.584 -10.353 -1.895 255 HB2 TYR 32 2HB TYR 32 -11.617 -8.247 -0.944 256 HB3 TYR 32 1HB TYR 32 -13.307 -7.978 -1.359 257 HD1 TYR 32 HD1 TYR 32 -15.092 -8.703 0.145 258 HD2 TYR 32 HD2 TYR 32 -11.007 -9.347 1.145 259 HE1 TYR 32 HE1 TYR 32 -15.743 -9.193 2.465 260 HE2 TYR 32 HE2 TYR 32 -11.646 -9.832 3.466 261 HH TYR 32 HH TYR 32 -13.531 -9.329 5.015 262 HA PRO 33 HA PRO 33 -11.290 -9.949 -5.873 263 HB2 PRO 33 2HB PRO 33 -13.759 -10.991 -7.057 264 HB3 PRO 33 1HB PRO 33 -12.133 -11.672 -7.092 265 HG2 PRO 33 2HG PRO 33 -14.146 -12.807 -5.686 266 HG3 PRO 33 1HG PRO 33 -12.453 -12.885 -5.158 267 HD2 PRO 33 2HD PRO 33 -14.646 -11.057 -4.215 268 HD3 PRO 33 1HD PRO 33 -13.434 -11.947 -3.264 269 H GLY 34 H GLY 34 -11.250 -8.007 -6.858 270 HA2 GLY 34 2HA GLY 34 -12.129 -6.339 -8.273 271 HA3 GLY 34 1HA GLY 34 -13.751 -6.774 -7.764 272 H TYR 35 H TYR 35 -12.391 -6.627 -4.900 273 HA TYR 35 HA TYR 35 -13.358 -3.936 -4.438 274 HB2 TYR 35 2HB TYR 35 -12.501 -6.164 -2.601 275 HB3 TYR 35 1HB TYR 35 -12.880 -4.555 -1.997 276 HD1 TYR 35 HD2 TYR 35 -15.189 -3.657 -2.226 277 HD2 TYR 35 HD1 TYR 35 -14.247 -7.685 -3.248 278 HE1 TYR 35 HE2 TYR 35 -17.577 -4.234 -2.140 279 HE2 TYR 35 HE1 TYR 35 -16.636 -8.269 -3.163 280 HH TYR 35 HH TYR 35 -19.078 -6.020 -3.188 281 H ALA 36 H ALA 36 -10.532 -4.780 -5.587 282 HA ALA 36 HA ALA 36 -8.471 -3.966 -3.980 283 HB1 ALA 36 3HB ALA 36 -7.263 -3.388 -6.023 284 HB2 ALA 36 1HB ALA 36 -8.779 -3.373 -6.922 285 HB3 ALA 36 2HB ALA 36 -8.182 -4.880 -6.224 286 H ARG 37 H ARG 37 -10.351 -1.775 -6.117 287 HA ARG 37 HA ARG 37 -9.025 0.579 -5.275 288 HB2 ARG 37 2HB ARG 37 -10.861 1.800 -6.372 289 HB3 ARG 37 1HB ARG 37 -10.209 0.522 -7.384 290 HG2 ARG 37 2HG ARG 37 -12.125 -0.902 -6.823 291 HG3 ARG 37 1HG ARG 37 -12.784 0.389 -5.812 292 HD2 ARG 37 2HD ARG 37 -12.955 1.848 -7.758 293 HD3 ARG 37 1HD ARG 37 -12.227 0.605 -8.774 294 HE ARG 37 HE ARG 37 -14.525 -0.449 -7.553 295 HH11 ARG 37 1HH1 ARG 37 -13.610 1.860 -9.934 296 HH12 ARG 37 2HH1 ARG 37 -15.085 1.699 -10.822 297 HH21 ARG 37 1HH2 ARG 37 -16.419 -0.648 -8.688 298 HH22 ARG 37 2HH2 ARG 37 -16.653 0.283 -10.130 299 H HIS 38 H HIS 38 -11.695 -1.186 -3.891 300 HA HIS 38 HA HIS 38 -12.573 0.938 -2.174 301 HB2 HIS 38 2HB HIS 38 -13.072 -2.044 -2.053 302 HB3 HIS 38 1HB HIS 38 -13.858 -0.857 -1.015 303 HD2 HIS 38 HD2 HIS 38 -14.422 -2.571 -4.307 304 HE1 HIS 38 HE1 HIS 38 -16.803 0.915 -4.345 305 HE2 HIS 38 HE2 HIS 38 -16.491 -1.395 -5.327 306 H VAL 39 H VAL 39 -10.286 -1.739 -1.884 307 HA VAL 39 HA VAL 39 -9.562 -1.412 0.807 308 HB VAL 39 HB VAL 39 -7.764 -2.132 -1.528 309 HG11 VAL 39 1HG1 VAL 39 -6.451 -1.483 0.418 310 HG12 VAL 39 2HG1 VAL 39 -6.335 -3.222 0.152 311 HG13 VAL 39 3HG1 VAL 39 -7.372 -2.595 1.435 312 HG21 VAL 39 3HG2 VAL 39 -9.314 -3.922 0.356 313 HG22 VAL 39 1HG2 VAL 39 -8.210 -4.458 -0.911 314 HG23 VAL 39 2HG2 VAL 39 -9.702 -3.619 -1.339 315 H GLY 40 H GLY 40 -8.456 0.274 -2.116 316 HA2 GLY 40 2HA GLY 40 -6.599 2.032 -0.984 317 HA3 GLY 40 1HA GLY 40 -7.574 2.382 -2.403 318 H LYS 41 H LYS 41 -10.136 2.410 -1.280 319 HA LYS 41 HA LYS 41 -10.400 4.964 -0.175 320 HB2 LYS 41 2HB LYS 41 -12.269 2.600 0.132 321 HB3 LYS 41 1HB LYS 41 -12.687 4.262 0.518 322 HG2 LYS 41 2HG LYS 41 -12.287 4.845 -1.878 323 HG3 LYS 41 1HG LYS 41 -12.075 3.121 -2.207 324 HD2 LYS 41 2HD LYS 41 -14.348 2.703 -1.313 325 HD3 LYS 41 1HD LYS 41 -14.552 4.437 -1.065 326 HE2 LYS 41 2HE LYS 41 -15.654 3.824 -3.106 327 HE3 LYS 41 1HE LYS 41 -14.221 4.769 -3.512 328 HZ1 LYS 41 3HZ LYS 41 -13.058 2.768 -4.074 329 HZ2 LYS 41 1HZ LYS 41 -14.523 2.794 -4.919 330 HZ3 LYS 41 2HZ LYS 41 -14.351 1.805 -3.558 331 H ALA 42 H ALA 42 -10.112 1.829 1.422 332 HA ALA 42 HA ALA 42 -10.610 2.764 4.070 333 HB1 ALA 42 3HB ALA 42 -10.955 0.434 3.427 334 HB2 ALA 42 1HB ALA 42 -9.825 0.554 4.775 335 HB3 ALA 42 2HB ALA 42 -9.225 0.245 3.146 336 H LEU 43 H LEU 43 -7.587 1.876 2.387 337 HA LEU 43 HA LEU 43 -5.868 2.320 4.561 338 HB2 LEU 43 2HB LEU 43 -5.269 2.483 1.604 339 HB3 LEU 43 1HB LEU 43 -4.059 2.392 2.873 340 HG LEU 43 HG LEU 43 -6.074 0.255 2.152 341 HD11 LEU 43 1HD1 LEU 43 -4.207 0.439 0.590 342 HD12 LEU 43 2HD1 LEU 43 -4.115 -1.052 1.524 343 HD13 LEU 43 3HD1 LEU 43 -3.063 0.306 1.925 344 HD21 LEU 43 3HD2 LEU 43 -5.002 -1.120 3.858 345 HD22 LEU 43 1HD2 LEU 43 -5.716 0.323 4.575 346 HD23 LEU 43 2HD2 LEU 43 -3.973 0.234 4.324 347 H GLY 44 H GLY 44 -6.776 4.523 1.904 348 HA2 GLY 44 2HA GLY 44 -5.121 6.676 2.689 349 HA3 GLY 44 1HA GLY 44 -6.571 6.811 1.708 350 H ASN 45 H ASN 45 -8.061 5.508 4.059 351 HA ASN 45 HA ASN 45 -8.816 8.015 5.300 352 HB2 ASN 45 2HB ASN 45 -10.495 6.346 4.515 353 HB3 ASN 45 1HB ASN 45 -9.925 5.231 5.752 354 HD21 ASN 45 1HD2 ASN 45 -10.370 5.696 7.928 355 HD22 ASN 45 2HD2 ASN 45 -11.610 6.809 8.375 356 H LEU 46 H LEU 46 -6.814 5.322 6.092 357 HA LEU 46 HA LEU 46 -7.018 5.378 8.926 358 HB2 LEU 46 2HB LEU 46 -4.789 4.406 7.128 359 HB3 LEU 46 1HB LEU 46 -4.843 4.139 8.859 360 HG LEU 46 HG LEU 46 -6.925 3.109 6.918 361 HD11 LEU 46 1HD1 LEU 46 -4.588 1.681 8.190 362 HD12 LEU 46 2HD1 LEU 46 -4.805 2.027 6.474 363 HD13 LEU 46 3HD1 LEU 46 -5.890 0.905 7.290 364 HD21 LEU 46 3HD2 LEU 46 -7.777 3.434 9.186 365 HD22 LEU 46 1HD2 LEU 46 -6.433 2.496 9.838 366 HD23 LEU 46 2HD2 LEU 46 -7.635 1.718 8.809 367 HA PRO 47 HA PRO 47 -4.555 8.947 10.020 368 HB2 PRO 47 2HB PRO 47 -3.463 8.039 12.378 369 HB3 PRO 47 1HB PRO 47 -5.105 8.669 12.225 370 HG2 PRO 47 2HG PRO 47 -4.164 5.827 12.266 371 HG3 PRO 47 1HG PRO 47 -5.571 6.551 13.065 372 HD2 PRO 47 2HD PRO 47 -5.811 5.128 10.790 373 HD3 PRO 47 1HD PRO 47 -6.838 6.539 11.119 374 H GLU 48 H GLU 48 -2.287 9.579 10.500 375 HA GLU 48 HA GLU 48 -0.516 8.483 8.637 376 HB2 GLU 48 2HB GLU 48 0.066 10.217 11.045 377 HB3 GLU 48 1HB GLU 48 1.225 9.873 9.767 378 HG2 GLU 48 2HG GLU 48 -0.242 10.949 8.136 379 HG3 GLU 48 1HG GLU 48 -1.415 11.285 9.410 380 H GLY 49 H GLY 49 -0.730 7.883 12.133 381 HA2 GLY 49 2HA GLY 49 1.254 5.704 11.789 382 HA3 GLY 49 1HA GLY 49 1.305 6.788 13.169 383 H SER 50 H SER 50 -1.189 4.789 11.544 384 HA SER 50 HA SER 50 -2.430 4.081 14.046 385 HB2 SER 50 2HB SER 50 -4.009 2.883 12.759 386 HB3 SER 50 1HB SER 50 -3.560 4.230 11.722 387 HG SER 50 HG SER 50 -2.214 2.836 10.558 388 H LYS 51 H LYS 51 -2.924 1.538 14.267 389 HA LYS 51 HA LYS 51 -0.546 0.190 14.916 390 HB2 LYS 51 2HB LYS 51 -2.753 -0.387 15.870 391 HB3 LYS 51 1HB LYS 51 -3.273 -0.986 14.301 392 HG2 LYS 51 2HG LYS 51 -1.502 -2.709 14.404 393 HG3 LYS 51 1HG LYS 51 -1.072 -2.139 16.015 394 HD2 LYS 51 2HD LYS 51 -3.838 -3.113 15.294 395 HD3 LYS 51 1HD LYS 51 -2.578 -4.182 15.904 396 HE2 LYS 51 2HE LYS 51 -3.987 -3.551 17.739 397 HE3 LYS 51 1HE LYS 51 -2.436 -2.745 17.942 398 HZ1 LYS 51 3HZ LYS 51 -4.368 -1.311 18.397 399 HZ2 LYS 51 1HZ LYS 51 -4.850 -1.460 16.784 400 HZ3 LYS 51 2HZ LYS 51 -3.385 -0.707 17.168 401 H LEU 52 H LEU 52 -2.296 0.438 11.925 402 HA LEU 52 HA LEU 52 -0.730 -1.713 10.671 403 HB2 LEU 52 2HB LEU 52 -3.161 -1.852 10.429 404 HB3 LEU 52 1HB LEU 52 -3.194 -0.243 9.730 405 HG LEU 52 HG LEU 52 -1.694 -1.187 7.878 406 HD11 LEU 52 1HD1 LEU 52 -2.706 -3.792 9.009 407 HD12 LEU 52 2HD1 LEU 52 -1.031 -3.238 9.025 408 HD13 LEU 52 3HD1 LEU 52 -1.831 -3.581 7.494 409 HD21 LEU 52 3HD2 LEU 52 -3.616 -2.096 6.651 410 HD22 LEU 52 1HD2 LEU 52 -4.014 -0.605 7.504 411 HD23 LEU 52 2HD2 LEU 52 -4.535 -2.160 8.155 412 HA PRO 53 HA PRO 53 1.399 1.536 8.315 413 HB2 PRO 53 2HB PRO 53 3.105 -0.067 6.972 414 HB3 PRO 53 1HB PRO 53 3.349 0.330 8.678 415 HG2 PRO 53 2HG PRO 53 2.218 -2.159 7.453 416 HG3 PRO 53 1HG PRO 53 3.326 -1.988 8.828 417 HD2 PRO 53 2HD PRO 53 0.607 -2.410 9.063 418 HD3 PRO 53 1HD PRO 53 1.610 -1.649 10.312 419 H TRP 54 H TRP 54 -0.346 2.143 7.014 420 HA TRP 54 HA TRP 54 -1.450 0.422 5.001 421 HB2 TRP 54 2HB TRP 54 -2.763 2.482 4.371 422 HB3 TRP 54 1HB TRP 54 -2.929 1.980 6.049 423 HD1 TRP 54 HD1 TRP 54 -2.006 3.625 7.922 424 HE1 TRP 54 HE1 TRP 54 -1.238 6.076 7.873 425 HE3 TRP 54 HE3 TRP 54 -1.547 4.234 2.861 426 HZ2 TRP 54 HZ2 TRP 54 -0.523 8.017 5.944 427 HZ3 TRP 54 HZ3 TRP 54 -0.812 6.418 1.999 428 HH2 TRP 54 HH2 TRP 54 -0.311 8.270 3.509 429 H PHE 55 H PHE 55 1.018 2.866 5.031 430 HA PHE 55 HA PHE 55 0.960 3.665 2.352 431 HB2 PHE 55 2HB PHE 55 3.383 4.342 2.775 432 HB3 PHE 55 1HB PHE 55 2.163 5.031 3.836 433 HD1 PHE 55 HD1 PHE 55 4.947 2.633 3.613 434 HD2 PHE 55 HD2 PHE 55 2.114 4.513 6.181 435 HE1 PHE 55 HE1 PHE 55 6.203 1.848 5.577 436 HE2 PHE 55 HE2 PHE 55 3.367 3.725 8.144 437 HZ PHE 55 HZ PHE 55 5.414 2.388 7.844 438 H ARG 56 H ARG 56 2.044 0.664 3.631 439 HA ARG 56 HA ARG 56 4.022 0.114 1.611 440 HB2 ARG 56 2HB ARG 56 2.695 -1.678 3.652 441 HB3 ARG 56 1HB ARG 56 3.995 -2.196 2.584 442 HG2 ARG 56 2HG ARG 56 5.476 -0.503 3.568 443 HG3 ARG 56 1HG ARG 56 4.172 0.003 4.646 444 HD2 ARG 56 2HD ARG 56 4.141 -2.245 5.647 445 HD3 ARG 56 1HD ARG 56 5.455 -2.737 4.575 446 HE ARG 56 HE ARG 56 6.411 -0.528 5.878 447 HH11 ARG 56 1HH1 ARG 56 5.227 -3.616 6.876 448 HH12 ARG 56 2HH1 ARG 56 6.169 -3.616 8.325 449 HH21 ARG 56 1HH2 ARG 56 7.603 -0.549 7.713 450 HH22 ARG 56 2HH2 ARG 56 7.504 -1.895 8.796 451 H VAL 57 H VAL 57 0.834 0.413 1.152 452 HA VAL 57 HA VAL 57 0.779 -1.728 -0.891 453 HB VAL 57 HB VAL 57 -1.627 -0.626 0.578 454 HG11 VAL 57 1HG1 VAL 57 -1.383 -2.896 -1.407 455 HG12 VAL 57 2HG1 VAL 57 -2.152 -1.336 -1.698 456 HG13 VAL 57 3HG1 VAL 57 -2.849 -2.456 -0.529 457 HG21 VAL 57 3HG2 VAL 57 -0.261 -1.988 2.071 458 HG22 VAL 57 1HG2 VAL 57 -0.244 -3.295 0.887 459 HG23 VAL 57 2HG2 VAL 57 -1.758 -2.827 1.663 460 H ILE 58 H ILE 58 0.612 -1.044 -2.926 461 HA ILE 58 HA ILE 58 -0.572 1.600 -3.493 462 HB ILE 58 HB ILE 58 1.078 1.888 -5.328 463 HG12 ILE 58 2HG1 ILE 58 2.451 -0.512 -4.076 464 HG13 ILE 58 1HG1 ILE 58 1.660 -0.493 -5.649 465 HG21 ILE 58 1HG2 ILE 58 2.314 1.573 -2.586 466 HG22 ILE 58 2HG2 ILE 58 1.432 2.983 -3.175 467 HG23 ILE 58 3HG2 ILE 58 2.967 2.534 -3.914 468 HD11 ILE 58 3HD1 ILE 58 3.288 1.149 -6.443 469 HD12 ILE 58 1HD1 ILE 58 4.064 -0.332 -5.885 470 HD13 ILE 58 2HD1 ILE 58 4.090 1.112 -4.871 471 H ASN 59 H ASN 59 -0.484 1.575 -6.234 472 HA ASN 59 HA ASN 59 -2.571 -0.367 -6.825 473 HB2 ASN 59 2HB ASN 59 -2.894 0.952 -8.890 474 HB3 ASN 59 1HB ASN 59 -2.970 1.947 -7.443 475 HD21 ASN 59 1HD2 ASN 59 -2.411 3.850 -8.385 476 HD22 ASN 59 2HD2 ASN 59 -0.870 4.153 -9.099 477 H SER 60 H SER 60 -2.543 -1.212 -9.221 478 HA SER 60 HA SER 60 -0.124 -2.812 -9.464 479 HB2 SER 60 2HB SER 60 -1.412 -3.986 -11.291 480 HB3 SER 60 1HB SER 60 -2.178 -4.027 -9.706 481 HG SER 60 HG SER 60 -2.840 -2.309 -11.878 482 H GLN 61 H GLN 61 -0.673 0.192 -10.384 483 HA GLN 61 HA GLN 61 0.542 0.037 -13.045 484 HB2 GLN 61 2HB GLN 61 -0.220 2.450 -11.372 485 HB3 GLN 61 1HB GLN 61 0.324 2.493 -13.044 486 HG2 GLN 61 2HG GLN 61 -1.670 1.326 -13.760 487 HG3 GLN 61 1HG GLN 61 -2.197 1.145 -12.086 488 HE21 GLN 61 1HE2 GLN 61 -3.509 2.478 -14.343 489 HE22 GLN 61 2HE2 GLN 61 -3.781 4.102 -13.833 490 H GLY 62 H GLY 62 1.503 0.173 -9.796 491 HA2 GLY 62 2HA GLY 62 3.630 0.330 -8.871 492 HA3 GLY 62 1HA GLY 62 4.269 0.723 -10.460 493 H LYS 63 H LYS 63 1.648 2.380 -8.765 494 HA LYS 63 HA LYS 63 3.373 4.730 -8.362 495 HB2 LYS 63 2HB LYS 63 0.737 4.676 -9.826 496 HB3 LYS 63 1HB LYS 63 1.407 6.151 -9.146 497 HG2 LYS 63 2HG LYS 63 3.430 5.800 -10.572 498 HG3 LYS 63 1HG LYS 63 2.580 4.456 -11.346 499 HD2 LYS 63 2HD LYS 63 0.812 5.950 -12.081 500 HD3 LYS 63 1HD LYS 63 1.543 7.295 -11.208 501 HE2 LYS 63 2HE LYS 63 3.540 7.098 -12.665 502 HE3 LYS 63 1HE LYS 63 2.712 5.839 -13.580 503 HZ1 LYS 63 3HZ LYS 63 1.754 8.633 -13.260 504 HZ2 LYS 63 1HZ LYS 63 1.004 7.427 -14.173 505 HZ3 LYS 63 2HZ LYS 63 2.519 8.012 -14.631 506 H ILE 64 H ILE 64 2.350 6.406 -7.022 507 HA ILE 64 HA ILE 64 0.863 5.332 -4.776 508 HB ILE 64 HB ILE 64 1.934 8.098 -5.388 509 HG12 ILE 64 2HG1 ILE 64 2.844 5.984 -3.411 510 HG13 ILE 64 1HG1 ILE 64 3.640 6.381 -4.931 511 HG21 ILE 64 1HG2 ILE 64 1.388 8.754 -3.123 512 HG22 ILE 64 2HG2 ILE 64 0.667 7.170 -2.805 513 HG23 ILE 64 3HG2 ILE 64 -0.075 8.264 -3.977 514 HD11 ILE 64 3HD1 ILE 64 4.134 8.615 -4.095 515 HD12 ILE 64 1HD1 ILE 64 4.786 7.368 -3.033 516 HD13 ILE 64 2HD1 ILE 64 3.319 8.233 -2.577 517 H SER 65 H SER 65 -1.287 5.063 -5.027 518 HA SER 65 HA SER 65 -2.822 6.387 -7.023 519 HB2 SER 65 2HB SER 65 -3.720 4.683 -4.688 520 HB3 SER 65 1HB SER 65 -4.769 5.214 -6.001 521 HG SER 65 HG SER 65 -3.886 3.085 -6.283 522 H LEU 66 H LEU 66 -2.232 7.110 -3.666 523 HA LEU 66 HA LEU 66 -4.477 8.763 -3.187 524 HB2 LEU 66 2HB LEU 66 -1.711 8.827 -1.971 525 HB3 LEU 66 1HB LEU 66 -3.079 9.743 -1.367 526 HG LEU 66 HG LEU 66 -2.856 6.727 -1.447 527 HD11 LEU 66 1HD1 LEU 66 -1.443 7.743 0.259 528 HD12 LEU 66 2HD1 LEU 66 -2.802 6.893 0.990 529 HD13 LEU 66 3HD1 LEU 66 -2.822 8.652 0.877 530 HD21 LEU 66 3HD2 LEU 66 -4.966 6.727 -0.199 531 HD22 LEU 66 1HD2 LEU 66 -5.164 7.442 -1.798 532 HD23 LEU 66 2HD2 LEU 66 -5.073 8.479 -0.374 533 H LYS 67 H LYS 67 -4.960 10.740 -3.950 534 HA LYS 67 HA LYS 67 -2.819 12.288 -5.270 535 HB2 LYS 67 2HB LYS 67 -4.614 13.281 -6.676 536 HB3 LYS 67 1HB LYS 67 -4.433 11.546 -6.896 537 HG2 LYS 67 2HG LYS 67 -6.376 11.168 -5.440 538 HG3 LYS 67 1HG LYS 67 -6.561 12.915 -5.257 539 HD2 LYS 67 2HD LYS 67 -6.861 13.104 -7.709 540 HD3 LYS 67 1HD LYS 67 -6.769 11.345 -7.834 541 HE2 LYS 67 2HE LYS 67 -9.091 12.112 -7.846 542 HE3 LYS 67 1HE LYS 67 -8.754 11.133 -6.420 543 HZ1 LYS 67 3HZ LYS 67 -8.566 13.135 -5.106 544 HZ2 LYS 67 1HZ LYS 67 -10.055 13.118 -5.905 545 HZ3 LYS 67 2HZ LYS 67 -8.806 14.104 -6.473 546 H GLY 68 H GLY 68 -2.649 14.477 -4.908 547 HA2 GLY 68 2HA GLY 68 -3.367 16.541 -3.871 548 HA3 GLY 68 1HA GLY 68 -4.259 15.592 -2.688 549 H ARG 69 H ARG 69 -3.283 16.169 -0.774 550 HA ARG 69 HA ARG 69 -0.394 16.323 -0.570 551 HB2 ARG 69 2HB ARG 69 -2.562 16.546 1.531 552 HB3 ARG 69 1HB ARG 69 -0.844 16.773 1.850 553 HG2 ARG 69 2HG ARG 69 -0.820 18.634 0.217 554 HG3 ARG 69 1HG ARG 69 -2.560 18.439 0.009 555 HD2 ARG 69 2HD ARG 69 -2.924 18.979 2.353 556 HD3 ARG 69 1HD ARG 69 -1.184 19.094 2.618 557 HE ARG 69 HE ARG 69 -1.946 20.858 0.560 558 HH11 ARG 69 1HH1 ARG 69 -2.167 20.498 3.980 559 HH12 ARG 69 2HH1 ARG 69 -2.304 22.202 4.253 560 HH21 ARG 69 1HH2 ARG 69 -2.082 23.016 0.917 561 HH22 ARG 69 2HH2 ARG 69 -2.243 23.622 2.529 562 H ASP 70 H ASP 70 -2.877 13.976 0.008 563 HA ASP 70 HA ASP 70 -1.493 12.183 1.673 564 HB2 ASP 70 2HB ASP 70 -3.709 11.813 -0.337 565 HB3 ASP 70 1HB ASP 70 -3.074 10.461 0.599 566 H LEU 71 H LEU 71 -1.176 12.808 -1.740 567 HA LEU 71 HA LEU 71 0.158 10.522 -2.623 568 HB2 LEU 71 2HB LEU 71 -0.546 12.398 -4.081 569 HB3 LEU 71 1HB LEU 71 0.709 13.402 -3.378 570 HG LEU 71 HG LEU 71 2.350 11.584 -4.247 571 HD11 LEU 71 1HD1 LEU 71 -0.024 11.015 -6.019 572 HD12 LEU 71 2HD1 LEU 71 0.640 9.925 -4.806 573 HD13 LEU 71 3HD1 LEU 71 1.607 10.368 -6.210 574 HD21 LEU 71 3HD2 LEU 71 2.493 12.675 -6.420 575 HD22 LEU 71 1HD2 LEU 71 2.242 13.846 -5.127 576 HD23 LEU 71 2HD2 LEU 71 0.899 13.388 -6.174 577 H ASP 72 H ASP 72 1.645 13.559 -1.489 578 HA ASP 72 HA ASP 72 4.267 12.498 -1.291 579 HB2 ASP 72 2HB ASP 72 3.143 14.937 0.107 580 HB3 ASP 72 1HB ASP 72 4.840 14.601 -0.228 581 H ARG 73 H ARG 73 1.621 12.811 1.009 582 HA ARG 73 HA ARG 73 2.788 12.201 3.432 583 HB2 ARG 73 2HB ARG 73 0.408 12.708 3.101 584 HB3 ARG 73 1HB ARG 73 0.177 11.174 2.284 585 HG2 ARG 73 2HG ARG 73 0.712 10.002 4.390 586 HG3 ARG 73 1HG ARG 73 0.855 11.566 5.197 587 HD2 ARG 73 2HD ARG 73 -1.465 12.085 4.670 588 HD3 ARG 73 1HD ARG 73 -1.620 10.582 3.765 589 HE ARG 73 HE ARG 73 -0.926 10.358 6.578 590 HH11 ARG 73 1HH1 ARG 73 -3.406 10.222 4.170 591 HH12 ARG 73 2HH1 ARG 73 -4.466 9.296 5.173 592 HH21 ARG 73 1HH2 ARG 73 -2.332 9.173 7.843 593 HH22 ARG 73 2HH2 ARG 73 -3.874 8.725 7.213 594 H GLN 74 H GLN 74 1.441 9.772 1.165 595 HA GLN 74 HA GLN 74 2.482 7.507 2.488 596 HB2 GLN 74 2HB GLN 74 0.634 7.603 0.716 597 HB3 GLN 74 1HB GLN 74 1.919 7.666 -0.482 598 HG2 GLN 74 2HG GLN 74 2.770 5.515 0.325 599 HG3 GLN 74 1HG GLN 74 1.471 5.453 1.513 600 HE21 GLN 74 1HE2 GLN 74 2.016 3.531 -0.515 601 HE22 GLN 74 2HE2 GLN 74 0.628 3.462 -1.536 602 H LYS 75 H LYS 75 3.703 9.403 -0.242 603 HA LYS 75 HA LYS 75 5.986 8.048 -0.965 604 HB2 LYS 75 2HB LYS 75 5.295 9.952 -2.206 605 HB3 LYS 75 1HB LYS 75 5.378 10.995 -0.796 606 HG2 LYS 75 2HG LYS 75 7.867 10.672 -0.807 607 HG3 LYS 75 1HG LYS 75 7.684 9.831 -2.351 608 HD2 LYS 75 2HD LYS 75 6.738 11.798 -3.371 609 HD3 LYS 75 1HD LYS 75 6.700 12.637 -1.822 610 HE2 LYS 75 2HE LYS 75 9.187 12.496 -1.753 611 HE3 LYS 75 1HE LYS 75 9.151 11.805 -3.376 612 HZ1 LYS 75 3HZ LYS 75 9.563 14.187 -3.421 613 HZ2 LYS 75 1HZ LYS 75 8.104 14.477 -2.620 614 HZ3 LYS 75 2HZ LYS 75 8.098 13.821 -4.179 615 H GLN 76 H GLN 76 5.877 10.671 1.469 616 HA GLN 76 HA GLN 76 8.526 10.623 2.270 617 HB2 GLN 76 2HB GLN 76 6.096 11.210 3.982 618 HB3 GLN 76 1HB GLN 76 7.749 11.650 4.389 619 HG2 GLN 76 2HG GLN 76 7.850 13.148 2.485 620 HG3 GLN 76 1HG GLN 76 6.231 12.663 1.986 621 HE21 GLN 76 1HE2 GLN 76 7.165 15.310 2.625 622 HE22 GLN 76 2HE2 GLN 76 6.202 15.867 3.946 623 H LYS 77 H LYS 77 5.790 8.811 3.677 624 HA LYS 77 HA LYS 77 7.367 7.552 5.676 625 HB2 LYS 77 2HB LYS 77 4.678 6.744 4.587 626 HB3 LYS 77 1HB LYS 77 5.405 6.156 6.081 627 HG2 LYS 77 2HG LYS 77 5.487 8.530 6.881 628 HG3 LYS 77 1HG LYS 77 4.556 8.978 5.453 629 HD2 LYS 77 2HD LYS 77 2.792 7.399 6.186 630 HD3 LYS 77 1HD LYS 77 3.702 7.117 7.669 631 HE2 LYS 77 2HE LYS 77 2.494 9.723 6.734 632 HE3 LYS 77 1HE LYS 77 2.000 8.755 8.122 633 HZ1 LYS 77 3HZ LYS 77 3.318 10.603 8.857 634 HZ2 LYS 77 1HZ LYS 77 4.577 10.201 7.804 635 HZ3 LYS 77 2HZ LYS 77 4.203 9.187 9.102 636 H LEU 78 H LEU 78 6.683 6.702 2.358 637 HA LEU 78 HA LEU 78 7.603 3.987 2.593 638 HB2 LEU 78 2HB LEU 78 6.942 5.761 0.261 639 HB3 LEU 78 1HB LEU 78 7.643 4.169 0.027 640 HG LEU 78 HG LEU 78 5.071 4.647 1.543 641 HD11 LEU 78 1HD1 LEU 78 5.433 3.770 -1.319 642 HD12 LEU 78 2HD1 LEU 78 4.828 5.342 -0.797 643 HD13 LEU 78 3HD1 LEU 78 3.906 3.882 -0.446 644 HD21 LEU 78 3HD2 LEU 78 4.771 2.236 1.246 645 HD22 LEU 78 1HD2 LEU 78 6.259 2.585 2.121 646 HD23 LEU 78 2HD2 LEU 78 6.324 2.136 0.417 647 H GLU 79 H GLU 79 9.081 7.030 1.477 648 HA GLU 79 HA GLU 79 11.561 5.919 0.707 649 HB2 GLU 79 2HB GLU 79 10.984 8.676 1.820 650 HB3 GLU 79 1HB GLU 79 12.481 8.194 1.033 651 HG2 GLU 79 2HG GLU 79 11.118 7.653 -1.010 652 HG3 GLU 79 1HG GLU 79 9.745 8.412 -0.207 653 H ALA 80 H ALA 80 10.264 6.832 3.836 654 HA ALA 80 HA ALA 80 12.602 6.540 5.393 655 HB1 ALA 80 3HB ALA 80 10.558 7.601 6.232 656 HB2 ALA 80 1HB ALA 80 11.083 6.293 7.292 657 HB3 ALA 80 2HB ALA 80 9.729 6.046 6.187 658 H GLU 81 H GLU 81 10.599 4.211 3.835 659 HA GLU 81 HA GLU 81 11.505 1.955 5.426 660 HB2 GLU 81 2HB GLU 81 9.909 1.995 2.850 661 HB3 GLU 81 1HB GLU 81 10.129 0.611 3.913 662 HG2 GLU 81 2HG GLU 81 8.779 3.168 4.758 663 HG3 GLU 81 1HG GLU 81 7.921 1.773 4.104 664 H GLY 82 H GLY 82 13.054 3.795 3.249 665 HA2 GLY 82 2HA GLY 82 15.073 3.403 2.158 666 HA3 GLY 82 1HA GLY 82 14.887 1.686 2.476 667 H ILE 83 H ILE 83 12.174 3.196 1.055 668 HA ILE 83 HA ILE 83 12.616 1.727 -1.429 669 HB ILE 83 HB ILE 83 10.171 3.178 -0.388 670 HG12 ILE 83 2HG1 ILE 83 10.788 0.209 -0.569 671 HG13 ILE 83 1HG1 ILE 83 10.794 1.164 0.910 672 HG21 ILE 83 1HG2 ILE 83 10.154 3.161 -2.814 673 HG22 ILE 83 2HG2 ILE 83 8.949 2.030 -2.200 674 HG23 ILE 83 3HG2 ILE 83 10.482 1.427 -2.831 675 HD11 ILE 83 3HD1 ILE 83 8.759 -0.127 0.726 676 HD12 ILE 83 1HD1 ILE 83 8.404 0.608 -0.835 677 HD13 ILE 83 2HD1 ILE 83 8.399 1.595 0.626 678 H GLU 84 H GLU 84 13.352 2.694 -3.226 679 HA GLU 84 HA GLU 84 13.624 5.532 -3.445 680 HB2 GLU 84 2HB GLU 84 14.375 5.029 -5.787 681 HB3 GLU 84 1HB GLU 84 15.263 4.169 -4.538 682 HG2 GLU 84 2HG GLU 84 14.065 2.142 -4.998 683 HG3 GLU 84 1HG GLU 84 12.997 2.977 -6.121 684 H VAL 85 H VAL 85 11.568 6.429 -3.260 685 HA VAL 85 HA VAL 85 9.506 5.781 -5.203 686 HB VAL 85 HB VAL 85 9.577 7.983 -3.115 687 HG11 VAL 85 1HG1 VAL 85 8.039 8.500 -4.947 688 HG12 VAL 85 2HG1 VAL 85 7.149 8.123 -3.473 689 HG13 VAL 85 3HG1 VAL 85 7.269 6.923 -4.762 690 HG21 VAL 85 3HG2 VAL 85 8.236 5.271 -3.038 691 HG22 VAL 85 1HG2 VAL 85 8.107 6.522 -1.801 692 HG23 VAL 85 2HG2 VAL 85 9.660 5.746 -2.112 693 H SER 86 H SER 86 9.730 6.536 -7.235 694 HA SER 86 HA SER 86 11.361 8.691 -8.016 695 HB2 SER 86 2HB SER 86 10.686 6.987 -9.621 696 HB3 SER 86 1HB SER 86 8.998 7.463 -9.460 697 HG SER 86 HG SER 86 11.111 9.076 -10.481 698 H GLU 87 H GLU 87 10.918 10.815 -8.588 699 HA GLU 87 HA GLU 87 9.479 12.279 -6.777 700 HB2 GLU 87 2HB GLU 87 9.786 14.213 -8.278 701 HB3 GLU 87 1HB GLU 87 11.247 13.257 -8.090 702 HG2 GLU 87 2HG GLU 87 10.898 12.232 -10.265 703 HG3 GLU 87 1HG GLU 87 9.372 13.095 -10.448 704 H ILE 88 H ILE 88 8.290 11.204 -9.948 705 HA ILE 88 HA ILE 88 5.848 12.726 -9.681 706 HB ILE 88 HB ILE 88 5.145 11.492 -11.771 707 HG12 ILE 88 2HG1 ILE 88 7.192 10.487 -13.028 708 HG13 ILE 88 1HG1 ILE 88 7.896 10.287 -11.430 709 HG21 ILE 88 1HG2 ILE 88 7.724 13.057 -11.806 710 HG22 ILE 88 2HG2 ILE 88 6.083 13.705 -11.878 711 HG23 ILE 88 3HG2 ILE 88 6.711 12.745 -13.217 712 HD11 ILE 88 3HD1 ILE 88 6.008 8.869 -10.789 713 HD12 ILE 88 1HD1 ILE 88 6.856 8.242 -12.202 714 HD13 ILE 88 2HD1 ILE 88 5.316 9.079 -12.398 715 H GLY 89 H GLY 89 6.650 10.425 -7.788 716 HA2 GLY 89 2HA GLY 89 5.393 9.133 -6.350 717 HA3 GLY 89 1HA GLY 89 3.961 9.559 -7.270 718 H LYS 90 H LYS 90 6.964 7.767 -8.042 719 HA LYS 90 HA LYS 90 5.262 5.494 -8.889 720 HB2 LYS 90 2HB LYS 90 6.211 6.801 -10.816 721 HB3 LYS 90 1HB LYS 90 7.818 6.373 -10.262 722 HG2 LYS 90 2HG LYS 90 5.788 4.262 -10.944 723 HG3 LYS 90 1HG LYS 90 6.775 5.029 -12.188 724 HD2 LYS 90 2HD LYS 90 8.809 4.266 -11.067 725 HD3 LYS 90 1HD LYS 90 7.848 3.561 -9.768 726 HE2 LYS 90 2HE LYS 90 8.514 1.807 -11.261 727 HE3 LYS 90 1HE LYS 90 6.781 2.063 -11.440 728 HZ1 LYS 90 3HZ LYS 90 7.205 3.328 -13.446 729 HZ2 LYS 90 1HZ LYS 90 7.881 1.784 -13.571 730 HZ3 LYS 90 2HZ LYS 90 8.872 3.117 -13.263 731 H ILE 91 H ILE 91 5.845 3.511 -8.215 732 HA ILE 91 HA ILE 91 8.446 3.153 -6.851 733 HB ILE 91 HB ILE 91 5.799 1.923 -6.037 734 HG12 ILE 91 2HG1 ILE 91 7.482 4.000 -4.605 735 HG13 ILE 91 1HG1 ILE 91 6.007 4.348 -5.502 736 HG21 ILE 91 1HG2 ILE 91 7.717 0.438 -5.642 737 HG22 ILE 91 2HG2 ILE 91 7.012 1.004 -4.129 738 HG23 ILE 91 3HG2 ILE 91 8.515 1.716 -4.722 739 HD11 ILE 91 3HD1 ILE 91 5.571 4.259 -3.133 740 HD12 ILE 91 1HD1 ILE 91 6.228 2.625 -3.047 741 HD13 ILE 91 2HD1 ILE 91 4.749 2.934 -3.957 742 H ALA 92 H ALA 92 9.642 1.527 -7.673 743 HA ALA 92 HA ALA 92 8.714 -0.064 -9.843 744 HB1 ALA 92 3HB ALA 92 10.919 -1.078 -9.816 745 HB2 ALA 92 1HB ALA 92 11.242 -0.384 -8.226 746 HB3 ALA 92 2HB ALA 92 11.049 0.672 -9.626 747 H LEU 93 H LEU 93 7.072 -1.455 -9.322 748 HA LEU 93 HA LEU 93 6.731 -2.971 -7.030 749 HB2 LEU 93 2HB LEU 93 5.898 -3.544 -9.875 750 HB3 LEU 93 1HB LEU 93 5.388 -4.527 -8.515 751 HG LEU 93 HG LEU 93 4.783 -1.579 -8.832 752 HD11 LEU 93 1HD1 LEU 93 3.005 -3.987 -9.232 753 HD12 LEU 93 2HD1 LEU 93 3.591 -2.904 -10.494 754 HD13 LEU 93 3HD1 LEU 93 2.482 -2.302 -9.264 755 HD21 LEU 93 3HD2 LEU 93 4.918 -2.261 -6.498 756 HD22 LEU 93 1HD2 LEU 93 3.820 -3.605 -6.809 757 HD23 LEU 93 2HD2 LEU 93 3.244 -1.944 -6.954 758 H ARG 94 H ARG 94 8.267 -4.045 -10.078 759 HA ARG 94 HA ARG 94 8.885 -6.651 -9.301 760 HB2 ARG 94 2HB ARG 94 9.048 -5.763 -11.619 761 HB3 ARG 94 1HB ARG 94 10.502 -4.886 -11.161 762 HG2 ARG 94 2HG ARG 94 11.593 -7.047 -10.628 763 HG3 ARG 94 1HG ARG 94 10.145 -7.883 -11.194 764 HD2 ARG 94 2HD ARG 94 11.933 -6.085 -12.838 765 HD3 ARG 94 1HD ARG 94 11.859 -7.845 -12.925 766 HE ARG 94 HE ARG 94 9.395 -6.387 -13.465 767 HH11 ARG 94 1HH1 ARG 94 12.088 -8.146 -14.683 768 HH12 ARG 94 2HH1 ARG 94 11.387 -8.352 -16.248 769 HH21 ARG 94 1HH2 ARG 94 8.504 -6.645 -15.478 770 HH22 ARG 94 2HH2 ARG 94 9.382 -7.499 -16.699 771 H LYS 95 H LYS 95 10.452 -3.682 -8.400 772 HA LYS 95 HA LYS 95 12.897 -5.001 -7.517 773 HB2 LYS 95 2HB LYS 95 13.030 -2.821 -8.654 774 HB3 LYS 95 1HB LYS 95 12.064 -2.093 -7.379 775 HG2 LYS 95 2HG LYS 95 13.842 -2.588 -5.756 776 HG3 LYS 95 1HG LYS 95 14.811 -3.298 -7.049 777 HD2 LYS 95 2HD LYS 95 13.877 -0.422 -6.919 778 HD3 LYS 95 1HD LYS 95 15.505 -0.990 -6.544 779 HE2 LYS 95 2HE LYS 95 15.738 -1.800 -8.857 780 HE3 LYS 95 1HE LYS 95 14.120 -1.202 -9.225 781 HZ1 LYS 95 3HZ LYS 95 15.798 0.356 -9.954 782 HZ2 LYS 95 1HZ LYS 95 16.445 0.449 -8.398 783 HZ3 LYS 95 2HZ LYS 95 14.895 1.041 -8.702 784 H TYR 96 H TYR 96 9.924 -3.781 -6.119 785 HA TYR 96 HA TYR 96 11.008 -4.289 -3.410 786 HB2 TYR 96 2HB TYR 96 9.166 -2.064 -4.302 787 HB3 TYR 96 1HB TYR 96 9.418 -2.489 -2.613 788 HD1 TYR 96 HD1 TYR 96 11.903 -2.493 -1.800 789 HD2 TYR 96 HD2 TYR 96 10.542 -0.451 -5.283 790 HE1 TYR 96 HE1 TYR 96 13.859 -1.009 -1.687 791 HE2 TYR 96 HE2 TYR 96 12.497 1.032 -5.176 792 HH TYR 96 HH TYR 96 15.174 0.421 -3.176 793 H LYS 97 H LYS 97 9.108 -5.775 -5.460 794 HA LYS 97 HA LYS 97 6.550 -5.849 -4.333 795 HB2 LYS 97 2HB LYS 97 7.181 -6.746 -6.575 796 HB3 LYS 97 1HB LYS 97 7.941 -8.114 -5.771 797 HG2 LYS 97 2HG LYS 97 5.793 -8.771 -4.828 798 HG3 LYS 97 1HG LYS 97 5.029 -7.371 -5.588 799 HD2 LYS 97 2HD LYS 97 5.529 -8.238 -7.789 800 HD3 LYS 97 1HD LYS 97 6.448 -9.573 -7.089 801 HE2 LYS 97 2HE LYS 97 4.248 -10.340 -7.779 802 HE3 LYS 97 1HE LYS 97 4.388 -10.407 -6.024 803 HZ1 LYS 97 3HZ LYS 97 3.010 -8.284 -7.576 804 HZ2 LYS 97 1HZ LYS 97 3.156 -8.321 -5.893 805 HZ3 LYS 97 2HZ LYS 97 2.262 -9.508 -6.688 806 H TRP 98 H TRP 98 5.687 -6.819 -2.614 807 HA TRP 98 HA TRP 98 7.172 -7.891 -0.526 808 HB2 TRP 98 2HB TRP 98 4.983 -6.990 -0.130 809 HB3 TRP 98 1HB TRP 98 4.240 -8.152 -1.221 810 HD1 TRP 98 HD1 TRP 98 6.709 -9.125 1.598 811 HE1 TRP 98 HE1 TRP 98 5.454 -10.620 3.271 812 HE3 TRP 98 HE3 TRP 98 2.010 -8.806 -0.386 813 HZ2 TRP 98 HZ2 TRP 98 2.831 -11.545 3.695 814 HZ3 TRP 98 HZ3 TRP 98 0.180 -10.024 0.711 815 HH2 TRP 98 HH2 TRP 98 0.588 -11.370 2.723 816 H GLN 99 H GLN 99 8.146 -9.778 -0.247 817 HA GLN 99 HA GLN 99 7.266 -12.124 -1.798 818 HB2 GLN 99 2HB GLN 99 9.925 -11.527 -0.481 819 HB3 GLN 99 1HB GLN 99 9.530 -13.045 -1.270 820 HG2 GLN 99 2HG GLN 99 9.312 -11.935 -3.402 821 HG3 GLN 99 1HG GLN 99 9.554 -10.362 -2.642 822 HE21 GLN 99 1HE2 GLN 99 11.087 -11.759 -4.753 823 HE22 GLN 99 2HE2 GLN 99 12.711 -11.818 -4.169 824 HA PRO 100 HA PRO 100 5.980 -13.342 2.487 825 HB2 PRO 100 2HB PRO 100 3.921 -14.925 1.622 826 HB3 PRO 100 1HB PRO 100 3.746 -13.195 1.945 827 HG2 PRO 100 2HG PRO 100 4.141 -14.603 -0.671 828 HG3 PRO 100 1HG PRO 100 3.047 -13.263 -0.274 829 HD2 PRO 100 2HD PRO 100 5.403 -12.875 -1.550 830 HD3 PRO 100 1HD PRO 100 4.733 -11.679 -0.421 831 H LEU 101 H LEU 101 6.251 -15.232 -0.504 832 HA LEU 101 HA LEU 101 7.749 -17.305 0.954 833 HB2 LEU 101 2HB LEU 101 5.638 -17.807 -1.157 834 HB3 LEU 101 1HB LEU 101 6.664 -19.035 -0.436 835 HG LEU 101 HG LEU 101 4.613 -17.390 1.066 836 HD11 LEU 101 1HD1 LEU 101 3.308 -19.455 1.158 837 HD12 LEU 101 2HD1 LEU 101 4.504 -20.265 0.144 838 HD13 LEU 101 3HD1 LEU 101 3.556 -18.926 -0.506 839 HD21 LEU 101 3HD2 LEU 101 6.517 -18.114 2.448 840 HD22 LEU 101 1HD2 LEU 101 6.228 -19.783 1.958 841 HD23 LEU 101 2HD2 LEU 101 5.019 -18.919 2.909 842 H GLU 102 H GLU 102 9.133 -18.622 -0.483 843 HA GLU 102 HA GLU 102 10.470 -17.107 -2.506 844 HB2 GLU 102 2HB GLU 102 10.703 -19.950 -1.527 845 HB3 GLU 102 1HB GLU 102 11.645 -19.381 -2.896 846 HG2 GLU 102 2HG GLU 102 11.701 -18.027 -0.210 847 HG3 GLU 102 1HG GLU 102 12.784 -19.349 -0.641 Start of MODEL 7 1 H1 MET 1 1H MET 1 -17.899 -4.258 13.294 2 H2 MET 1 2H MET 1 -16.947 -3.839 14.626 3 H3 MET 1 3H MET 1 -17.208 -5.468 14.259 4 HA MET 1 HA MET 1 -15.701 -3.513 12.618 5 HB2 MET 1 2HB MET 1 -14.552 -4.342 14.683 6 HB3 MET 1 1HB MET 1 -14.720 -5.984 14.077 7 HG2 MET 1 2HG MET 1 -12.495 -5.187 13.645 8 HG3 MET 1 1HG MET 1 -13.353 -5.369 12.116 9 HE1 MET 1 3HE MET 1 -11.465 -3.906 10.937 10 HE2 MET 1 1HE MET 1 -10.629 -3.685 12.475 11 HE3 MET 1 2HE MET 1 -11.008 -2.287 11.467 12 H ASP 2 H ASP 2 -15.828 -3.933 10.510 13 HA ASP 2 HA ASP 2 -17.216 -6.164 9.470 14 HB2 ASP 2 2HB ASP 2 -15.518 -4.042 8.150 15 HB3 ASP 2 1HB ASP 2 -16.410 -5.262 7.245 16 H GLN 3 H GLN 3 -16.567 -8.122 8.804 17 HA GLN 3 HA GLN 3 -14.022 -9.191 9.222 18 HB2 GLN 3 2HB GLN 3 -16.208 -10.082 7.323 19 HB3 GLN 3 1HB GLN 3 -14.780 -11.040 7.687 20 HG2 GLN 3 2HG GLN 3 -16.791 -10.130 9.743 21 HG3 GLN 3 1HG GLN 3 -16.802 -11.709 8.961 22 HE21 GLN 3 1HE2 GLN 3 -13.928 -12.019 8.960 23 HE22 GLN 3 2HE2 GLN 3 -13.469 -12.322 10.597 24 H PHE 4 H PHE 4 -15.348 -7.512 6.441 25 HA PHE 4 HA PHE 4 -13.367 -8.033 4.542 26 HB2 PHE 4 2HB PHE 4 -15.383 -6.865 3.909 27 HB3 PHE 4 1HB PHE 4 -15.026 -5.544 5.015 28 HD1 PHE 4 HD1 PHE 4 -13.515 -7.300 2.078 29 HD2 PHE 4 HD2 PHE 4 -14.081 -3.621 4.151 30 HE1 PHE 4 HE1 PHE 4 -12.354 -6.103 0.270 31 HE2 PHE 4 HE2 PHE 4 -12.921 -2.422 2.345 32 HZ PHE 4 HZ PHE 4 -12.056 -3.663 0.401 33 H LEU 5 H LEU 5 -13.533 -5.385 6.914 34 HA LEU 5 HA LEU 5 -11.031 -4.243 6.294 35 HB2 LEU 5 2HB LEU 5 -12.582 -4.151 8.891 36 HB3 LEU 5 1HB LEU 5 -11.268 -3.074 8.447 37 HG LEU 5 HG LEU 5 -13.921 -3.254 6.997 38 HD11 LEU 5 1HD1 LEU 5 -14.198 -2.295 9.216 39 HD12 LEU 5 2HD1 LEU 5 -14.381 -1.056 7.976 40 HD13 LEU 5 3HD1 LEU 5 -12.885 -1.155 8.906 41 HD21 LEU 5 3HD2 LEU 5 -11.601 -1.348 6.654 42 HD22 LEU 5 1HD2 LEU 5 -13.162 -1.221 5.841 43 HD23 LEU 5 2HD2 LEU 5 -12.107 -2.594 5.512 44 H VAL 6 H VAL 6 -11.976 -6.526 8.871 45 HA VAL 6 HA VAL 6 -9.554 -6.765 10.201 46 HB VAL 6 HB VAL 6 -11.565 -8.976 9.692 47 HG11 VAL 6 1HG1 VAL 6 -10.677 -9.993 11.745 48 HG12 VAL 6 2HG1 VAL 6 -9.453 -8.726 11.842 49 HG13 VAL 6 3HG1 VAL 6 -9.439 -9.867 10.496 50 HG21 VAL 6 3HG2 VAL 6 -12.520 -8.336 11.858 51 HG22 VAL 6 1HG2 VAL 6 -12.589 -7.000 10.708 52 HG23 VAL 6 2HG2 VAL 6 -11.366 -7.006 11.979 53 H GLN 7 H GLN 7 -10.687 -8.682 7.406 54 HA GLN 7 HA GLN 7 -8.376 -10.318 7.285 55 HB2 GLN 7 2HB GLN 7 -10.515 -9.748 5.234 56 HB3 GLN 7 1HB GLN 7 -9.232 -10.928 4.995 57 HG2 GLN 7 2HG GLN 7 -11.310 -10.990 7.181 58 HG3 GLN 7 1HG GLN 7 -11.285 -11.999 5.736 59 HE21 GLN 7 1HE2 GLN 7 -9.810 -11.394 8.830 60 HE22 GLN 7 2HE2 GLN 7 -8.930 -12.875 8.928 61 H ILE 8 H ILE 8 -9.320 -7.527 5.207 62 HA ILE 8 HA ILE 8 -7.014 -7.620 3.600 63 HB ILE 8 HB ILE 8 -7.498 -5.317 2.919 64 HG12 ILE 8 2HG1 ILE 8 -9.630 -5.363 5.079 65 HG13 ILE 8 1HG1 ILE 8 -8.153 -4.408 5.123 66 HG21 ILE 8 1HG2 ILE 8 -9.976 -7.028 3.160 67 HG22 ILE 8 2HG2 ILE 8 -8.746 -7.145 1.901 68 HG23 ILE 8 3HG2 ILE 8 -9.748 -5.699 2.022 69 HD11 ILE 8 3HD1 ILE 8 -10.047 -3.043 4.500 70 HD12 ILE 8 1HD1 ILE 8 -10.398 -4.109 3.140 71 HD13 ILE 8 2HD1 ILE 8 -8.910 -3.162 3.157 72 H PHE 9 H PHE 9 -7.619 -5.829 6.623 73 HA PHE 9 HA PHE 9 -5.138 -4.477 6.712 74 HB2 PHE 9 2HB PHE 9 -6.959 -5.359 8.970 75 HB3 PHE 9 1HB PHE 9 -5.579 -4.289 9.175 76 HD1 PHE 9 HD1 PHE 9 -6.708 -3.296 6.119 77 HD2 PHE 9 HD2 PHE 9 -7.960 -3.269 10.194 78 HE1 PHE 9 HE1 PHE 9 -8.143 -1.353 5.666 79 HE2 PHE 9 HE2 PHE 9 -9.397 -1.326 9.740 80 HZ PHE 9 HZ PHE 9 -9.490 -0.365 7.473 81 H ALA 10 H ALA 10 -6.162 -7.613 8.045 82 HA ALA 10 HA ALA 10 -3.808 -8.346 9.348 83 HB1 ALA 10 3HB ALA 10 -5.902 -9.585 9.567 84 HB2 ALA 10 1HB ALA 10 -4.578 -10.659 9.115 85 HB3 ALA 10 2HB ALA 10 -5.756 -10.152 7.903 86 H VAL 11 H VAL 11 -4.722 -8.796 5.933 87 HA VAL 11 HA VAL 11 -2.435 -10.248 5.136 88 HB VAL 11 HB VAL 11 -4.132 -8.363 3.475 89 HG11 VAL 11 1HG1 VAL 11 -1.971 -8.852 2.414 90 HG12 VAL 11 2HG1 VAL 11 -3.305 -9.592 1.533 91 HG13 VAL 11 3HG1 VAL 11 -2.283 -10.581 2.576 92 HG21 VAL 11 3HG2 VAL 11 -5.463 -10.129 4.498 93 HG22 VAL 11 1HG2 VAL 11 -4.348 -11.351 3.884 94 HG23 VAL 11 2HG2 VAL 11 -5.319 -10.396 2.762 95 H ILE 12 H ILE 12 -3.095 -6.760 5.185 96 HA ILE 12 HA ILE 12 -0.654 -5.881 4.089 97 HB ILE 12 HB ILE 12 -2.453 -4.467 6.074 98 HG12 ILE 12 2HG1 ILE 12 -2.378 -4.201 3.056 99 HG13 ILE 12 1HG1 ILE 12 -3.502 -5.256 3.906 100 HG21 ILE 12 1HG2 ILE 12 -0.349 -3.349 4.212 101 HG22 ILE 12 2HG2 ILE 12 -0.248 -3.430 5.972 102 HG23 ILE 12 3HG2 ILE 12 -1.453 -2.395 5.206 103 HD11 ILE 12 3HD1 ILE 12 -4.492 -3.353 5.020 104 HD12 ILE 12 1HD1 ILE 12 -4.516 -3.130 3.271 105 HD13 ILE 12 2HD1 ILE 12 -3.327 -2.273 4.252 106 H HIS 13 H HIS 13 -1.568 -6.615 7.452 107 HA HIS 13 HA HIS 13 0.832 -5.748 8.666 108 HB2 HIS 13 2HB HIS 13 -1.298 -7.705 9.493 109 HB3 HIS 13 1HB HIS 13 0.159 -7.520 10.461 110 HD2 HIS 13 HD2 HIS 13 -3.267 -6.171 10.454 111 HE1 HIS 13 HE1 HIS 13 -0.839 -3.061 11.989 112 HE2 HIS 13 HE2 HIS 13 -3.179 -4.018 11.902 113 H GLN 14 H GLN 14 0.356 -8.327 6.533 114 HA GLN 14 HA GLN 14 2.578 -9.914 7.575 115 HB2 GLN 14 2HB GLN 14 0.330 -10.400 5.788 116 HB3 GLN 14 1HB GLN 14 1.834 -10.974 5.090 117 HG2 GLN 14 2HG GLN 14 0.661 -12.714 6.346 118 HG3 GLN 14 1HG GLN 14 2.256 -12.369 7.005 119 HE21 GLN 14 1HE2 GLN 14 -0.579 -10.365 7.540 120 HE22 GLN 14 2HE2 GLN 14 -0.718 -10.704 9.224 121 H ILE 15 H ILE 15 2.196 -7.268 5.521 122 HA ILE 15 HA ILE 15 4.345 -7.839 3.688 123 HB ILE 15 HB ILE 15 3.133 -5.141 4.357 124 HG12 ILE 15 2HG1 ILE 15 2.391 -7.064 2.129 125 HG13 ILE 15 1HG1 ILE 15 1.434 -6.796 3.583 126 HG21 ILE 15 1HG2 ILE 15 3.988 -4.467 2.159 127 HG22 ILE 15 2HG2 ILE 15 4.705 -6.065 1.945 128 HG23 ILE 15 3HG2 ILE 15 5.295 -4.999 3.219 129 HD11 ILE 15 3HD1 ILE 15 1.072 -4.486 2.939 130 HD12 ILE 15 1HD1 ILE 15 0.553 -5.583 1.661 131 HD13 ILE 15 2HD1 ILE 15 2.080 -4.713 1.509 132 HA PRO 16 HA PRO 16 7.510 -7.051 6.828 133 HB2 PRO 16 2HB PRO 16 9.307 -7.181 4.461 134 HB3 PRO 16 1HB PRO 16 9.364 -8.097 5.971 135 HG2 PRO 16 2HG PRO 16 8.555 -9.256 3.710 136 HG3 PRO 16 1HG PRO 16 7.762 -9.629 5.256 137 HD2 PRO 16 2HD PRO 16 6.846 -7.820 3.040 138 HD3 PRO 16 1HD PRO 16 5.908 -8.981 4.005 139 H LYS 17 H LYS 17 8.826 -5.341 7.460 140 HA LYS 17 HA LYS 17 8.213 -2.785 6.464 141 HB2 LYS 17 2HB LYS 17 8.934 -3.241 8.787 142 HB3 LYS 17 1HB LYS 17 10.553 -3.602 8.208 143 HG2 LYS 17 2HG LYS 17 10.848 -1.314 7.473 144 HG3 LYS 17 1HG LYS 17 9.178 -0.935 7.902 145 HD2 LYS 17 2HD LYS 17 9.717 -1.484 10.272 146 HD3 LYS 17 1HD LYS 17 11.401 -1.715 9.798 147 HE2 LYS 17 2HE LYS 17 9.850 0.851 9.427 148 HE3 LYS 17 1HE LYS 17 10.930 0.526 10.781 149 HZ1 LYS 17 3HZ LYS 17 11.734 0.575 7.923 150 HZ2 LYS 17 1HZ LYS 17 12.766 0.331 9.241 151 HZ3 LYS 17 2HZ LYS 17 11.993 1.824 9.028 152 H GLY 18 H GLY 18 8.672 -2.506 4.312 153 HA2 GLY 18 2HA GLY 18 10.718 -1.335 3.224 154 HA3 GLY 18 1HA GLY 18 11.445 -2.923 3.403 155 H LYS 19 H LYS 19 8.595 -4.023 2.832 156 HA LYS 19 HA LYS 19 8.867 -3.922 -0.102 157 HB2 LYS 19 2HB LYS 19 7.511 -5.968 1.674 158 HB3 LYS 19 1HB LYS 19 7.535 -6.032 -0.084 159 HG2 LYS 19 2HG LYS 19 9.959 -6.149 1.715 160 HG3 LYS 19 1HG LYS 19 9.204 -7.524 0.901 161 HD2 LYS 19 2HD LYS 19 9.733 -6.543 -1.277 162 HD3 LYS 19 1HD LYS 19 10.433 -5.131 -0.486 163 HE2 LYS 19 2HE LYS 19 12.190 -6.642 -1.210 164 HE3 LYS 19 1HE LYS 19 12.141 -6.568 0.549 165 HZ1 LYS 19 3HZ LYS 19 12.423 -8.831 -0.209 166 HZ2 LYS 19 1HZ LYS 19 11.015 -8.742 -1.139 167 HZ3 LYS 19 2HZ LYS 19 10.917 -8.671 0.544 168 H VAL 20 H VAL 20 6.850 -4.056 -1.383 169 HA VAL 20 HA VAL 20 4.510 -2.781 -0.136 170 HB VAL 20 HB VAL 20 4.238 -1.280 -2.080 171 HG11 VAL 20 1HG1 VAL 20 5.329 -0.449 -0.050 172 HG12 VAL 20 2HG1 VAL 20 5.962 0.337 -1.496 173 HG13 VAL 20 3HG1 VAL 20 6.899 -0.927 -0.695 174 HG21 VAL 20 3HG2 VAL 20 6.105 -0.918 -3.642 175 HG22 VAL 20 1HG2 VAL 20 5.464 -2.558 -3.757 176 HG23 VAL 20 2HG2 VAL 20 6.979 -2.261 -2.904 177 H SER 21 H SER 21 2.513 -3.056 -1.333 178 HA SER 21 HA SER 21 2.553 -5.062 -3.494 179 HB2 SER 21 2HB SER 21 0.724 -6.330 -2.470 180 HB3 SER 21 1HB SER 21 2.102 -6.274 -1.371 181 HG SER 21 HG SER 21 1.025 -4.536 -0.286 182 H THR 22 H THR 22 0.090 -5.341 -4.267 183 HA THR 22 HA THR 22 -0.983 -2.604 -4.623 184 HB THR 22 HB THR 22 -1.983 -3.365 -6.721 185 HG1 THR 22 HG1 THR 22 -0.624 -5.844 -6.362 186 HG21 THR 22 3HG2 THR 22 0.067 -3.737 -8.020 187 HG22 THR 22 1HG2 THR 22 0.945 -4.120 -6.538 188 HG23 THR 22 2HG2 THR 22 0.314 -2.492 -6.796 189 H TYR 23 H TYR 23 -3.269 -2.295 -4.660 190 HA TYR 23 HA TYR 23 -4.689 -3.449 -2.580 191 HB2 TYR 23 2HB TYR 23 -5.819 -2.118 -5.057 192 HB3 TYR 23 1HB TYR 23 -6.703 -2.390 -3.559 193 HD1 TYR 23 HD2 TYR 23 -5.866 -1.247 -1.445 194 HD2 TYR 23 HD1 TYR 23 -4.483 -0.188 -5.330 195 HE1 TYR 23 HE2 TYR 23 -5.048 0.899 -0.568 196 HE2 TYR 23 HE1 TYR 23 -3.661 1.957 -4.457 197 HH TYR 23 HH TYR 23 -3.272 2.584 -1.204 198 H GLY 24 H GLY 24 -4.739 -4.356 -6.010 199 HA2 GLY 24 2HA GLY 24 -6.843 -6.202 -5.964 200 HA3 GLY 24 1HA GLY 24 -5.479 -6.255 -7.070 201 H GLU 25 H GLU 25 -3.411 -6.683 -5.187 202 HA GLU 25 HA GLU 25 -3.563 -9.500 -4.877 203 HB2 GLU 25 2HB GLU 25 -1.586 -7.518 -3.716 204 HB3 GLU 25 1HB GLU 25 -1.378 -9.267 -3.723 205 HG2 GLU 25 2HG GLU 25 -1.413 -9.254 -6.173 206 HG3 GLU 25 1HG GLU 25 -1.591 -7.502 -6.156 207 H ILE 26 H ILE 26 -3.509 -6.872 -2.466 208 HA ILE 26 HA ILE 26 -3.789 -8.377 -0.150 209 HB ILE 26 HB ILE 26 -4.997 -5.653 -0.712 210 HG12 ILE 26 2HG1 ILE 26 -2.568 -5.716 -1.124 211 HG13 ILE 26 1HG1 ILE 26 -2.944 -4.745 0.296 212 HG21 ILE 26 1HG2 ILE 26 -4.919 -5.320 1.720 213 HG22 ILE 26 2HG2 ILE 26 -4.366 -6.983 1.929 214 HG23 ILE 26 3HG2 ILE 26 -5.973 -6.662 1.278 215 HD11 ILE 26 3HD1 ILE 26 -2.289 -6.618 1.734 216 HD12 ILE 26 1HD1 ILE 26 -0.978 -6.113 0.669 217 HD13 ILE 26 2HD1 ILE 26 -1.898 -7.571 0.302 218 H ALA 27 H ALA 27 -6.397 -6.954 -2.128 219 HA ALA 27 HA ALA 27 -8.578 -7.868 -0.641 220 HB1 ALA 27 3HB ALA 27 -8.465 -7.399 -3.622 221 HB2 ALA 27 1HB ALA 27 -8.714 -6.153 -2.399 222 HB3 ALA 27 2HB ALA 27 -9.917 -7.424 -2.621 223 H LYS 28 H LYS 28 -7.141 -9.377 -3.563 224 HA LYS 28 HA LYS 28 -8.869 -11.603 -3.605 225 HB2 LYS 28 2HB LYS 28 -6.095 -11.268 -4.766 226 HB3 LYS 28 1HB LYS 28 -7.138 -12.648 -5.095 227 HG2 LYS 28 2HG LYS 28 -8.840 -11.085 -6.007 228 HG3 LYS 28 1HG LYS 28 -7.693 -9.763 -5.785 229 HD2 LYS 28 2HD LYS 28 -7.207 -12.201 -7.511 230 HD3 LYS 28 1HD LYS 28 -7.777 -10.648 -8.114 231 HE2 LYS 28 2HE LYS 28 -5.468 -10.642 -8.537 232 HE3 LYS 28 1HE LYS 28 -5.654 -9.658 -7.088 233 HZ1 LYS 28 3HZ LYS 28 -4.962 -12.536 -6.999 234 HZ2 LYS 28 1HZ LYS 28 -4.849 -11.408 -5.748 235 HZ3 LYS 28 2HZ LYS 28 -3.793 -11.320 -7.062 236 H MET 29 H MET 29 -5.669 -11.208 -2.092 237 HA MET 29 HA MET 29 -5.585 -13.931 -1.162 238 HB2 MET 29 2HB MET 29 -3.888 -11.506 -0.595 239 HB3 MET 29 1HB MET 29 -3.635 -13.031 0.243 240 HG2 MET 29 2HG MET 29 -3.292 -14.143 -1.931 241 HG3 MET 29 1HG MET 29 -3.476 -12.585 -2.735 242 HE1 MET 29 3HE MET 29 -0.364 -10.618 -1.420 243 HE2 MET 29 1HE MET 29 -1.994 -10.617 -0.744 244 HE3 MET 29 2HE MET 29 -1.763 -10.584 -2.492 245 H ALA 30 H ALA 30 -7.187 -11.151 -0.064 246 HA ALA 30 HA ALA 30 -7.448 -12.112 2.680 247 HB1 ALA 30 3HB ALA 30 -8.848 -9.803 1.322 248 HB2 ALA 30 1HB ALA 30 -7.336 -9.687 2.224 249 HB3 ALA 30 2HB ALA 30 -8.825 -10.147 3.052 250 H GLY 31 H GLY 31 -8.924 -12.629 -0.325 251 HA2 GLY 31 2HA GLY 31 -10.544 -14.323 -0.689 252 HA3 GLY 31 1HA GLY 31 -11.136 -14.088 0.946 253 H TYR 32 H TYR 32 -10.585 -11.240 -0.908 254 HA TYR 32 HA TYR 32 -13.470 -11.015 -1.500 255 HB2 TYR 32 2HB TYR 32 -11.652 -8.834 -0.438 256 HB3 TYR 32 1HB TYR 32 -13.336 -8.617 -0.907 257 HD1 TYR 32 HD2 TYR 32 -11.077 -10.110 1.590 258 HD2 TYR 32 HD1 TYR 32 -15.132 -9.353 0.525 259 HE1 TYR 32 HE2 TYR 32 -11.781 -10.709 3.866 260 HE2 TYR 32 HE1 TYR 32 -15.845 -9.945 2.802 261 HH TYR 32 HH TYR 32 -13.600 -10.368 5.380 262 HA PRO 33 HA PRO 33 -11.267 -10.310 -5.486 263 HB2 PRO 33 2HB PRO 33 -13.203 -11.340 -7.068 264 HB3 PRO 33 1HB PRO 33 -12.056 -12.365 -6.195 265 HG2 PRO 33 2HG PRO 33 -14.876 -11.635 -5.462 266 HG3 PRO 33 1HG PRO 33 -14.085 -13.223 -5.416 267 HD2 PRO 33 2HD PRO 33 -14.400 -11.683 -3.203 268 HD3 PRO 33 1HD PRO 33 -13.016 -12.773 -3.419 269 H GLY 34 H GLY 34 -11.388 -8.506 -6.743 270 HA2 GLY 34 2HA GLY 34 -12.287 -6.706 -7.883 271 HA3 GLY 34 1HA GLY 34 -13.890 -7.278 -7.457 272 H TYR 35 H TYR 35 -12.431 -7.144 -4.561 273 HA TYR 35 HA TYR 35 -13.656 -4.605 -3.908 274 HB2 TYR 35 2HB TYR 35 -12.377 -6.770 -2.250 275 HB3 TYR 35 1HB TYR 35 -12.904 -5.246 -1.547 276 HD1 TYR 35 HD1 TYR 35 -14.115 -8.252 -3.377 277 HD2 TYR 35 HD2 TYR 35 -15.174 -4.887 -0.994 278 HE1 TYR 35 HE1 TYR 35 -16.388 -9.151 -3.120 279 HE2 TYR 35 HE2 TYR 35 -17.451 -5.778 -0.738 280 HH TYR 35 HH TYR 35 -18.971 -7.307 -1.852 281 H ALA 36 H ALA 36 -10.861 -5.018 -5.339 282 HA ALA 36 HA ALA 36 -8.816 -3.988 -3.778 283 HB1 ALA 36 3HB ALA 36 -7.732 -3.334 -5.850 284 HB2 ALA 36 1HB ALA 36 -9.262 -3.460 -6.717 285 HB3 ALA 36 2HB ALA 36 -8.511 -4.905 -6.038 286 H ARG 37 H ARG 37 -11.108 -2.156 -5.805 287 HA ARG 37 HA ARG 37 -10.301 0.435 -5.158 288 HB2 ARG 37 2HB ARG 37 -12.729 1.041 -5.671 289 HB3 ARG 37 1HB ARG 37 -11.838 0.195 -6.931 290 HG2 ARG 37 2HG ARG 37 -12.911 -1.901 -6.320 291 HG3 ARG 37 1HG ARG 37 -13.762 -1.101 -5.000 292 HD2 ARG 37 2HD ARG 37 -15.131 0.116 -6.466 293 HD3 ARG 37 1HD ARG 37 -14.064 -0.167 -7.842 294 HE ARG 37 HE ARG 37 -14.792 -2.524 -7.738 295 HH11 ARG 37 1HH1 ARG 37 -16.814 -0.123 -6.303 296 HH12 ARG 37 2HH1 ARG 37 -18.247 -1.067 -6.514 297 HH21 ARG 37 1HH2 ARG 37 -16.616 -3.703 -7.993 298 HH22 ARG 37 2HH2 ARG 37 -18.139 -3.072 -7.464 299 H HIS 38 H HIS 38 -12.505 -1.719 -3.402 300 HA HIS 38 HA HIS 38 -13.386 0.209 -1.506 301 HB2 HIS 38 2HB HIS 38 -13.361 -2.816 -1.350 302 HB3 HIS 38 1HB HIS 38 -14.201 -1.760 -0.219 303 HD2 HIS 38 HD2 HIS 38 -14.544 -3.088 -3.862 304 HE1 HIS 38 HE1 HIS 38 -18.058 -0.982 -2.823 305 HE2 HIS 38 HE2 HIS 38 -16.896 -2.321 -4.626 306 H VAL 39 H VAL 39 -10.781 -2.200 -1.467 307 HA VAL 39 HA VAL 39 -9.811 -1.743 1.128 308 HB VAL 39 HB VAL 39 -8.188 -2.436 -1.341 309 HG11 VAL 39 1HG1 VAL 39 -7.554 -2.796 1.596 310 HG12 VAL 39 2HG1 VAL 39 -6.752 -1.699 0.471 311 HG13 VAL 39 3HG1 VAL 39 -6.598 -3.443 0.264 312 HG21 VAL 39 3HG2 VAL 39 -9.552 -4.240 0.670 313 HG22 VAL 39 1HG2 VAL 39 -8.451 -4.779 -0.598 314 HG23 VAL 39 2HG2 VAL 39 -9.989 -4.034 -1.027 315 H GLY 40 H GLY 40 -9.051 -0.114 -1.944 316 HA2 GLY 40 2HA GLY 40 -7.141 1.718 -1.020 317 HA3 GLY 40 1HA GLY 40 -8.211 1.982 -2.388 318 H LYS 41 H LYS 41 -10.683 1.991 -1.093 319 HA LYS 41 HA LYS 41 -10.888 4.609 -0.084 320 HB2 LYS 41 2HB LYS 41 -12.786 2.269 0.208 321 HB3 LYS 41 1HB LYS 41 -13.194 3.934 0.595 322 HG2 LYS 41 2HG LYS 41 -12.916 4.590 -1.715 323 HG3 LYS 41 1HG LYS 41 -12.359 2.970 -2.140 324 HD2 LYS 41 2HD LYS 41 -14.721 3.342 -2.759 325 HD3 LYS 41 1HD LYS 41 -14.535 2.039 -1.588 326 HE2 LYS 41 2HE LYS 41 -16.437 3.451 -1.008 327 HE3 LYS 41 1HE LYS 41 -15.177 3.569 0.220 328 HZ1 LYS 41 3HZ LYS 41 -15.954 5.746 -0.212 329 HZ2 LYS 41 1HZ LYS 41 -15.827 5.552 -1.889 330 HZ3 LYS 41 2HZ LYS 41 -14.433 5.639 -0.938 331 H ALA 42 H ALA 42 -10.902 1.477 1.615 332 HA ALA 42 HA ALA 42 -11.254 2.404 4.228 333 HB1 ALA 42 3HB ALA 42 -10.289 0.262 4.937 334 HB2 ALA 42 1HB ALA 42 -9.703 -0.014 3.296 335 HB3 ALA 42 2HB ALA 42 -11.437 0.048 3.613 336 H LEU 43 H LEU 43 -8.165 1.615 2.592 337 HA LEU 43 HA LEU 43 -6.497 2.525 4.686 338 HB2 LEU 43 2HB LEU 43 -5.876 2.310 1.732 339 HB3 LEU 43 1HB LEU 43 -4.688 2.483 3.014 340 HG LEU 43 HG LEU 43 -6.501 0.109 2.529 341 HD11 LEU 43 1HD1 LEU 43 -4.417 -1.098 2.149 342 HD12 LEU 43 2HD1 LEU 43 -3.498 0.386 2.404 343 HD13 LEU 43 3HD1 LEU 43 -4.588 0.249 1.025 344 HD21 LEU 43 3HD2 LEU 43 -4.517 0.554 4.766 345 HD22 LEU 43 1HD2 LEU 43 -5.386 -0.946 4.435 346 HD23 LEU 43 2HD2 LEU 43 -6.272 0.494 4.929 347 H GLY 44 H GLY 44 -7.969 4.191 1.960 348 HA2 GLY 44 2HA GLY 44 -6.459 6.589 2.093 349 HA3 GLY 44 1HA GLY 44 -8.044 6.407 1.361 350 H ASN 45 H ASN 45 -8.859 5.379 4.225 351 HA ASN 45 HA ASN 45 -9.528 8.044 5.250 352 HB2 ASN 45 2HB ASN 45 -10.543 5.280 5.937 353 HB3 ASN 45 1HB ASN 45 -10.982 6.708 6.865 354 HD21 ASN 45 1HD2 ASN 45 -10.562 6.641 3.369 355 HD22 ASN 45 2HD2 ASN 45 -12.220 6.930 2.992 356 H LEU 46 H LEU 46 -7.022 5.925 5.700 357 HA LEU 46 HA LEU 46 -6.869 6.060 8.597 358 HB2 LEU 46 2HB LEU 46 -4.968 4.901 6.557 359 HB3 LEU 46 1HB LEU 46 -4.762 4.776 8.294 360 HG LEU 46 HG LEU 46 -7.033 3.582 6.693 361 HD11 LEU 46 1HD1 LEU 46 -4.684 2.283 8.076 362 HD12 LEU 46 2HD1 LEU 46 -4.918 2.427 6.335 363 HD13 LEU 46 3HD1 LEU 46 -6.017 1.434 7.291 364 HD21 LEU 46 3HD2 LEU 46 -7.768 4.250 8.924 365 HD22 LEU 46 1HD2 LEU 46 -6.409 3.386 9.644 366 HD23 LEU 46 2HD2 LEU 46 -7.675 2.495 8.796 367 HA PRO 47 HA PRO 47 -4.203 9.681 8.829 368 HB2 PRO 47 2HB PRO 47 -3.023 9.107 11.240 369 HB3 PRO 47 1HB PRO 47 -4.642 9.798 11.082 370 HG2 PRO 47 2HG PRO 47 -3.836 6.947 11.532 371 HG3 PRO 47 1HG PRO 47 -5.135 7.879 12.302 372 HD2 PRO 47 2HD PRO 47 -5.631 6.130 10.311 373 HD3 PRO 47 1HD PRO 47 -6.556 7.637 10.482 374 H GLU 48 H GLU 48 -1.891 10.189 8.851 375 HA GLU 48 HA GLU 48 -0.425 8.432 7.242 376 HB2 GLU 48 2HB GLU 48 1.539 9.961 7.744 377 HB3 GLU 48 1HB GLU 48 0.114 10.704 7.043 378 HG2 GLU 48 2HG GLU 48 0.911 12.188 8.686 379 HG3 GLU 48 1HG GLU 48 -0.534 11.440 9.351 380 H GLY 49 H GLY 49 -0.328 8.845 10.752 381 HA2 GLY 49 2HA GLY 49 1.585 6.587 10.893 382 HA3 GLY 49 1HA GLY 49 1.417 7.826 12.126 383 H SER 50 H SER 50 -0.929 5.719 10.429 384 HA SER 50 HA SER 50 -2.440 5.232 12.810 385 HB2 SER 50 2HB SER 50 -3.770 3.737 11.433 386 HB3 SER 50 1HB SER 50 -3.413 5.192 10.506 387 HG SER 50 HG SER 50 -2.909 3.610 9.122 388 H LYS 51 H LYS 51 -3.028 2.710 13.188 389 HA LYS 51 HA LYS 51 -0.535 1.453 14.000 390 HB2 LYS 51 2HB LYS 51 -1.980 -0.232 15.084 391 HB3 LYS 51 1HB LYS 51 -2.363 1.411 15.581 392 HG2 LYS 51 2HG LYS 51 -4.276 1.394 13.995 393 HG3 LYS 51 1HG LYS 51 -3.912 -0.295 13.628 394 HD2 LYS 51 2HD LYS 51 -4.680 0.833 16.331 395 HD3 LYS 51 1HD LYS 51 -5.695 -0.160 15.281 396 HE2 LYS 51 2HE LYS 51 -4.168 -2.034 15.529 397 HE3 LYS 51 1HE LYS 51 -3.075 -1.048 16.499 398 HZ1 LYS 51 3HZ LYS 51 -4.888 -0.817 18.138 399 HZ2 LYS 51 1HZ LYS 51 -4.377 -2.416 17.931 400 HZ3 LYS 51 2HZ LYS 51 -5.823 -1.895 17.231 401 H LEU 52 H LEU 52 -2.000 1.564 11.144 402 HA LEU 52 HA LEU 52 -1.133 -1.151 10.366 403 HB2 LEU 52 2HB LEU 52 -3.567 -1.015 10.268 404 HB3 LEU 52 1HB LEU 52 -3.474 0.450 9.311 405 HG LEU 52 HG LEU 52 -2.298 -0.944 7.527 406 HD11 LEU 52 1HD1 LEU 52 -2.695 -3.353 7.573 407 HD12 LEU 52 2HD1 LEU 52 -3.373 -3.217 9.195 408 HD13 LEU 52 3HD1 LEU 52 -1.673 -2.843 8.916 409 HD21 LEU 52 3HD2 LEU 52 -4.414 -1.865 6.668 410 HD22 LEU 52 1HD2 LEU 52 -4.590 -0.215 7.268 411 HD23 LEU 52 2HD2 LEU 52 -5.163 -1.573 8.239 412 HA PRO 53 HA PRO 53 1.454 1.373 7.643 413 HB2 PRO 53 2HB PRO 53 2.637 -0.667 6.275 414 HB3 PRO 53 1HB PRO 53 3.140 -0.179 7.898 415 HG2 PRO 53 2HG PRO 53 1.360 -2.444 7.066 416 HG3 PRO 53 1HG PRO 53 2.655 -2.428 8.280 417 HD2 PRO 53 2HD PRO 53 0.030 -2.251 8.948 418 HD3 PRO 53 1HD PRO 53 1.303 -1.449 9.888 419 H TRP 54 H TRP 54 -0.258 2.277 6.440 420 HA TRP 54 HA TRP 54 -1.542 0.757 4.331 421 HB2 TRP 54 2HB TRP 54 -2.750 2.894 3.876 422 HB3 TRP 54 1HB TRP 54 -2.887 2.366 5.550 423 HD1 TRP 54 HD1 TRP 54 -1.714 3.869 7.420 424 HE1 TRP 54 HE1 TRP 54 -0.819 6.280 7.399 425 HE3 TRP 54 HE3 TRP 54 -1.603 4.648 2.370 426 HZ2 TRP 54 HZ2 TRP 54 -0.157 8.259 5.489 427 HZ3 TRP 54 HZ3 TRP 54 -0.833 6.826 1.530 428 HH2 TRP 54 HH2 TRP 54 -0.126 8.592 3.055 429 H PHE 55 H PHE 55 1.040 3.049 4.655 430 HA PHE 55 HA PHE 55 1.210 3.991 2.026 431 HB2 PHE 55 2HB PHE 55 3.595 4.551 2.638 432 HB3 PHE 55 1HB PHE 55 2.365 5.176 3.727 433 HD1 PHE 55 HD2 PHE 55 2.113 4.270 5.980 434 HD2 PHE 55 HD1 PHE 55 5.169 2.862 3.365 435 HE1 PHE 55 HE2 PHE 55 3.282 3.253 7.893 436 HE2 PHE 55 HE1 PHE 55 6.337 1.844 5.270 437 HZ PHE 55 HZ PHE 55 5.395 2.040 7.540 438 H ARG 56 H ARG 56 1.883 0.847 3.152 439 HA ARG 56 HA ARG 56 3.931 0.256 1.173 440 HB2 ARG 56 2HB ARG 56 2.456 -1.670 2.981 441 HB3 ARG 56 1HB ARG 56 3.918 -2.003 2.061 442 HG2 ARG 56 2HG ARG 56 5.041 -0.199 3.438 443 HG3 ARG 56 1HG ARG 56 3.605 -0.220 4.465 444 HD2 ARG 56 2HD ARG 56 4.000 -2.735 4.687 445 HD3 ARG 56 1HD ARG 56 5.585 -2.440 3.973 446 HE ARG 56 HE ARG 56 4.796 -1.925 6.651 447 HH11 ARG 56 1HH1 ARG 56 6.864 -0.740 4.152 448 HH12 ARG 56 2HH1 ARG 56 7.948 0.007 5.271 449 HH21 ARG 56 1HH2 ARG 56 6.202 -0.983 8.053 450 HH22 ARG 56 2HH2 ARG 56 7.579 -0.124 7.449 451 H VAL 57 H VAL 57 0.789 0.814 0.721 452 HA VAL 57 HA VAL 57 0.530 -1.320 -1.310 453 HB VAL 57 HB VAL 57 -1.792 -0.068 0.177 454 HG11 VAL 57 1HG1 VAL 57 -1.653 -2.430 -1.705 455 HG12 VAL 57 2HG1 VAL 57 -2.361 -0.853 -2.057 456 HG13 VAL 57 3HG1 VAL 57 -3.093 -1.895 -0.836 457 HG21 VAL 57 3HG2 VAL 57 -0.495 -2.771 0.603 458 HG22 VAL 57 1HG2 VAL 57 -1.997 -2.229 1.352 459 HG23 VAL 57 2HG2 VAL 57 -0.480 -1.415 1.731 460 H ILE 58 H ILE 58 0.308 -0.628 -3.350 461 HA ILE 58 HA ILE 58 -0.722 2.097 -3.856 462 HB ILE 58 HB ILE 58 0.903 2.360 -5.701 463 HG12 ILE 58 2HG1 ILE 58 2.196 -0.139 -4.556 464 HG13 ILE 58 1HG1 ILE 58 1.364 -0.037 -6.103 465 HG21 ILE 58 1HG2 ILE 58 2.844 2.879 -4.313 466 HG22 ILE 58 2HG2 ILE 58 2.187 1.891 -3.006 467 HG23 ILE 58 3HG2 ILE 58 1.348 3.358 -3.512 468 HD11 ILE 58 3HD1 ILE 58 3.038 1.553 -6.898 469 HD12 ILE 58 1HD1 ILE 58 3.762 0.022 -6.405 470 HD13 ILE 58 2HD1 ILE 58 3.880 1.431 -5.353 471 H ASN 59 H ASN 59 -0.735 2.163 -6.587 472 HA ASN 59 HA ASN 59 -2.898 0.308 -7.163 473 HB2 ASN 59 2HB ASN 59 -3.262 1.664 -9.188 474 HB3 ASN 59 1HB ASN 59 -3.195 2.662 -7.741 475 HD21 ASN 59 1HD2 ASN 59 -2.678 4.498 -8.909 476 HD22 ASN 59 2HD2 ASN 59 -1.125 4.727 -9.614 477 H SER 60 H SER 60 -2.965 -0.445 -9.606 478 HA SER 60 HA SER 60 -0.883 -2.390 -9.871 479 HB2 SER 60 2HB SER 60 -2.117 -3.095 -11.903 480 HB3 SER 60 1HB SER 60 -3.185 -2.918 -10.510 481 HG SER 60 HG SER 60 -4.236 -1.843 -12.069 482 H GLN 61 H GLN 61 -1.117 0.821 -10.914 483 HA GLN 61 HA GLN 61 0.383 0.549 -13.368 484 HB2 GLN 61 2HB GLN 61 -0.186 3.044 -11.753 485 HB3 GLN 61 1HB GLN 61 0.349 2.979 -13.428 486 HG2 GLN 61 2HG GLN 61 -1.758 1.927 -14.072 487 HG3 GLN 61 1HG GLN 61 -2.291 1.958 -12.391 488 HE21 GLN 61 1HE2 GLN 61 -4.063 3.248 -12.818 489 HE22 GLN 61 2HE2 GLN 61 -3.919 4.915 -13.244 490 H GLY 62 H GLY 62 1.190 0.641 -10.062 491 HA2 GLY 62 2HA GLY 62 3.328 0.531 -9.107 492 HA3 GLY 62 1HA GLY 62 4.025 1.002 -10.651 493 H LYS 63 H LYS 63 1.399 2.862 -9.424 494 HA LYS 63 HA LYS 63 3.248 5.012 -8.592 495 HB2 LYS 63 2HB LYS 63 0.546 5.257 -9.936 496 HB3 LYS 63 1HB LYS 63 1.470 6.611 -9.305 497 HG2 LYS 63 2HG LYS 63 3.297 5.999 -10.917 498 HG3 LYS 63 1HG LYS 63 2.184 4.821 -11.625 499 HD2 LYS 63 2HD LYS 63 0.589 6.609 -12.123 500 HD3 LYS 63 1HD LYS 63 1.666 7.792 -11.381 501 HE2 LYS 63 2HE LYS 63 1.944 7.947 -13.744 502 HE3 LYS 63 1HE LYS 63 3.388 7.176 -13.093 503 HZ1 LYS 63 3HZ LYS 63 1.112 5.778 -14.386 504 HZ2 LYS 63 1HZ LYS 63 2.494 5.033 -13.763 505 HZ3 LYS 63 2HZ LYS 63 2.618 6.071 -15.088 506 H ILE 64 H ILE 64 2.448 6.473 -6.948 507 HA ILE 64 HA ILE 64 1.059 5.256 -4.795 508 HB ILE 64 HB ILE 64 1.758 8.161 -5.307 509 HG12 ILE 64 2HG1 ILE 64 3.054 6.034 -3.573 510 HG13 ILE 64 1HG1 ILE 64 3.709 6.700 -5.065 511 HG21 ILE 64 1HG2 ILE 64 1.322 8.541 -2.915 512 HG22 ILE 64 2HG2 ILE 64 0.724 6.888 -2.766 513 HG23 ILE 64 3HG2 ILE 64 -0.135 8.051 -3.777 514 HD11 ILE 64 3HD1 ILE 64 3.920 8.886 -3.986 515 HD12 ILE 64 1HD1 ILE 64 4.814 7.636 -3.119 516 HD13 ILE 64 2HD1 ILE 64 3.267 8.208 -2.494 517 H SER 65 H SER 65 -1.068 5.206 -4.318 518 HA SER 65 HA SER 65 -3.010 5.848 -6.274 519 HB2 SER 65 2HB SER 65 -4.657 5.195 -4.537 520 HB3 SER 65 1HB SER 65 -3.341 4.028 -4.669 521 HG SER 65 HG SER 65 -3.724 4.496 -2.499 522 H LEU 66 H LEU 66 -2.414 7.276 -3.068 523 HA LEU 66 HA LEU 66 -4.358 9.302 -3.256 524 HB2 LEU 66 2HB LEU 66 -1.843 9.232 -1.582 525 HB3 LEU 66 1HB LEU 66 -3.200 10.318 -1.333 526 HG LEU 66 HG LEU 66 -3.276 7.303 -1.056 527 HD11 LEU 66 1HD1 LEU 66 -2.059 8.439 0.752 528 HD12 LEU 66 2HD1 LEU 66 -3.566 7.719 1.315 529 HD13 LEU 66 3HD1 LEU 66 -3.468 9.460 1.048 530 HD21 LEU 66 3HD2 LEU 66 -5.550 7.620 -0.220 531 HD22 LEU 66 1HD2 LEU 66 -5.404 8.189 -1.883 532 HD23 LEU 66 2HD2 LEU 66 -5.445 9.348 -0.553 533 H LYS 67 H LYS 67 -4.137 11.573 -3.523 534 HA LYS 67 HA LYS 67 -1.883 12.365 -5.273 535 HB2 LYS 67 2HB LYS 67 -3.536 13.765 -6.527 536 HB3 LYS 67 1HB LYS 67 -3.830 12.036 -6.655 537 HG2 LYS 67 2HG LYS 67 -5.544 12.274 -4.845 538 HG3 LYS 67 1HG LYS 67 -5.330 14.020 -4.952 539 HD2 LYS 67 2HD LYS 67 -6.094 12.316 -7.327 540 HD3 LYS 67 1HD LYS 67 -7.285 13.027 -6.240 541 HE2 LYS 67 2HE LYS 67 -7.063 14.473 -8.129 542 HE3 LYS 67 1HE LYS 67 -6.306 15.271 -6.753 543 HZ1 LYS 67 3HZ LYS 67 -4.990 15.460 -8.777 544 HZ2 LYS 67 1HZ LYS 67 -4.857 13.782 -8.874 545 HZ3 LYS 67 2HZ LYS 67 -4.151 14.618 -7.585 546 H GLY 68 H GLY 68 -1.382 14.667 -5.315 547 HA2 GLY 68 2HA GLY 68 -1.149 16.777 -4.406 548 HA3 GLY 68 1HA GLY 68 -2.564 16.466 -3.415 549 H ARG 69 H ARG 69 -2.030 16.861 -1.353 550 HA ARG 69 HA ARG 69 0.502 16.893 -0.175 551 HB2 ARG 69 2HB ARG 69 -1.881 15.985 1.422 552 HB3 ARG 69 1HB ARG 69 -0.573 17.048 1.907 553 HG2 ARG 69 2HG ARG 69 -1.532 18.902 0.874 554 HG3 ARG 69 1HG ARG 69 -2.565 17.908 -0.162 555 HD2 ARG 69 2HD ARG 69 -2.844 18.459 2.786 556 HD3 ARG 69 1HD ARG 69 -4.021 18.737 1.499 557 HE ARG 69 HE ARG 69 -3.743 16.077 1.386 558 HH11 ARG 69 1HH1 ARG 69 -4.315 18.162 4.077 559 HH12 ARG 69 2HH1 ARG 69 -5.050 16.907 5.015 560 HH21 ARG 69 1HH2 ARG 69 -4.623 14.471 2.624 561 HH22 ARG 69 2HH2 ARG 69 -5.209 14.849 4.211 562 H ASP 70 H ASP 70 -1.934 14.350 -0.178 563 HA ASP 70 HA ASP 70 -0.642 12.604 1.593 564 HB2 ASP 70 2HB ASP 70 -2.745 11.961 -0.482 565 HB3 ASP 70 1HB ASP 70 -2.387 11.037 0.977 566 H LEU 71 H LEU 71 -0.125 13.138 -1.778 567 HA LEU 71 HA LEU 71 1.013 10.637 -2.473 568 HB2 LEU 71 2HB LEU 71 0.307 12.432 -4.081 569 HB3 LEU 71 1HB LEU 71 1.715 13.357 -3.603 570 HG LEU 71 HG LEU 71 2.000 10.587 -4.773 571 HD11 LEU 71 1HD1 LEU 71 1.862 13.182 -6.313 572 HD12 LEU 71 2HD1 LEU 71 0.661 11.890 -6.350 573 HD13 LEU 71 3HD1 LEU 71 2.285 11.602 -6.975 574 HD21 LEU 71 3HD2 LEU 71 4.211 11.431 -5.451 575 HD22 LEU 71 1HD2 LEU 71 3.988 11.538 -3.705 576 HD23 LEU 71 2HD2 LEU 71 3.847 12.987 -4.701 577 H ASP 72 H ASP 72 2.618 13.716 -1.523 578 HA ASP 72 HA ASP 72 5.165 12.471 -1.202 579 HB2 ASP 72 2HB ASP 72 5.858 14.609 -0.145 580 HB3 ASP 72 1HB ASP 72 5.081 14.834 -1.706 581 H ARG 73 H ARG 73 2.443 13.013 0.937 582 HA ARG 73 HA ARG 73 3.577 12.368 3.409 583 HB2 ARG 73 2HB ARG 73 1.287 13.078 3.338 584 HB3 ARG 73 1HB ARG 73 0.843 11.766 2.259 585 HG2 ARG 73 2HG ARG 73 1.283 10.154 4.077 586 HG3 ARG 73 1HG ARG 73 1.638 11.503 5.157 587 HD2 ARG 73 2HD ARG 73 -0.992 11.225 3.703 588 HD3 ARG 73 1HD ARG 73 -0.706 10.513 5.291 589 HE ARG 73 HE ARG 73 -0.089 13.305 5.210 590 HH11 ARG 73 1HH1 ARG 73 -2.693 11.060 5.504 591 HH12 ARG 73 2HH1 ARG 73 -3.667 12.158 6.418 592 HH21 ARG 73 1HH2 ARG 73 -1.337 14.677 6.411 593 HH22 ARG 73 2HH2 ARG 73 -2.913 14.179 6.925 594 H GLN 74 H GLN 74 2.077 10.116 1.054 595 HA GLN 74 HA GLN 74 2.852 7.763 2.415 596 HB2 GLN 74 2HB GLN 74 1.054 7.921 0.663 597 HB3 GLN 74 1HB GLN 74 2.320 8.034 -0.554 598 HG2 GLN 74 2HG GLN 74 3.130 5.836 0.012 599 HG3 GLN 74 1HG GLN 74 1.995 5.726 1.353 600 HE21 GLN 74 1HE2 GLN 74 2.275 3.915 -0.843 601 HE22 GLN 74 2HE2 GLN 74 0.757 3.891 -1.665 602 H LYS 75 H LYS 75 4.391 9.612 -0.200 603 HA LYS 75 HA LYS 75 6.517 7.899 -0.766 604 HB2 LYS 75 2HB LYS 75 6.123 9.795 -2.189 605 HB3 LYS 75 1HB LYS 75 6.391 10.918 -0.860 606 HG2 LYS 75 2HG LYS 75 8.746 10.179 -0.739 607 HG3 LYS 75 1HG LYS 75 8.464 9.121 -2.122 608 HD2 LYS 75 2HD LYS 75 8.055 10.996 -3.558 609 HD3 LYS 75 1HD LYS 75 8.043 12.111 -2.189 610 HE2 LYS 75 2HE LYS 75 10.155 12.271 -3.377 611 HE3 LYS 75 1HE LYS 75 10.414 11.604 -1.768 612 HZ1 LYS 75 3HZ LYS 75 11.686 10.414 -3.422 613 HZ2 LYS 75 1HZ LYS 75 10.288 10.046 -4.293 614 HZ3 LYS 75 2HZ LYS 75 10.522 9.390 -2.751 615 H GLN 76 H GLN 76 6.566 10.682 1.528 616 HA GLN 76 HA GLN 76 9.191 10.300 2.391 617 HB2 GLN 76 2HB GLN 76 8.675 11.704 4.292 618 HB3 GLN 76 1HB GLN 76 7.882 12.342 2.859 619 HG2 GLN 76 2HG GLN 76 5.764 11.355 3.601 620 HG3 GLN 76 1HG GLN 76 6.564 10.730 5.042 621 HE21 GLN 76 1HE2 GLN 76 5.298 11.891 6.456 622 HE22 GLN 76 2HE2 GLN 76 5.404 13.607 6.623 623 H LYS 77 H LYS 77 6.204 8.791 3.576 624 HA LYS 77 HA LYS 77 7.277 7.362 5.743 625 HB2 LYS 77 2HB LYS 77 5.103 6.574 3.789 626 HB3 LYS 77 1HB LYS 77 5.453 5.697 5.272 627 HG2 LYS 77 2HG LYS 77 4.596 8.585 5.147 628 HG3 LYS 77 1HG LYS 77 3.519 7.223 5.460 629 HD2 LYS 77 2HD LYS 77 4.852 6.665 7.467 630 HD3 LYS 77 1HD LYS 77 5.868 8.075 7.164 631 HE2 LYS 77 2HE LYS 77 3.895 9.528 7.395 632 HE3 LYS 77 1HE LYS 77 2.900 8.111 7.723 633 HZ1 LYS 77 3HZ LYS 77 5.177 9.047 9.382 634 HZ2 LYS 77 1HZ LYS 77 4.218 7.692 9.707 635 HZ3 LYS 77 2HZ LYS 77 3.540 9.243 9.758 636 H LEU 78 H LEU 78 7.103 6.485 2.306 637 HA LEU 78 HA LEU 78 8.312 3.925 2.572 638 HB2 LEU 78 2HB LEU 78 8.035 5.713 0.149 639 HB3 LEU 78 1HB LEU 78 8.467 4.012 0.107 640 HG LEU 78 HG LEU 78 5.846 5.028 1.218 641 HD11 LEU 78 1HD1 LEU 78 6.426 3.938 -1.533 642 HD12 LEU 78 2HD1 LEU 78 5.994 5.604 -1.143 643 HD13 LEU 78 3HD1 LEU 78 4.828 4.307 -0.880 644 HD21 LEU 78 3HD2 LEU 78 5.154 2.689 0.974 645 HD22 LEU 78 1HD2 LEU 78 6.536 2.843 2.057 646 HD23 LEU 78 2HD2 LEU 78 6.770 2.269 0.405 647 H GLU 79 H GLU 79 9.612 7.101 1.619 648 HA GLU 79 HA GLU 79 12.235 6.413 1.006 649 HB2 GLU 79 2HB GLU 79 11.247 8.901 2.429 650 HB3 GLU 79 1HB GLU 79 12.818 8.735 1.658 651 HG2 GLU 79 2HG GLU 79 10.200 8.482 0.192 652 HG3 GLU 79 1HG GLU 79 11.093 9.988 0.345 653 H ALA 80 H ALA 80 10.745 7.029 4.152 654 HA ALA 80 HA ALA 80 13.077 6.832 5.738 655 HB1 ALA 80 3HB ALA 80 11.003 7.838 6.548 656 HB2 ALA 80 1HB ALA 80 11.536 6.542 7.620 657 HB3 ALA 80 2HB ALA 80 10.206 6.267 6.492 658 H GLU 81 H GLU 81 11.120 4.418 4.210 659 HA GLU 81 HA GLU 81 12.157 2.246 5.882 660 HB2 GLU 81 2HB GLU 81 10.274 2.047 3.522 661 HB3 GLU 81 1HB GLU 81 10.574 0.824 4.751 662 HG2 GLU 81 2HG GLU 81 9.337 3.513 5.307 663 HG3 GLU 81 1HG GLU 81 8.417 2.043 4.995 664 H GLY 82 H GLY 82 13.305 3.903 3.280 665 HA2 GLY 82 2HA GLY 82 15.227 3.386 2.039 666 HA3 GLY 82 1HA GLY 82 15.055 1.703 2.505 667 H ILE 83 H ILE 83 12.259 3.261 1.240 668 HA ILE 83 HA ILE 83 12.479 1.681 -1.231 669 HB ILE 83 HB ILE 83 10.064 3.064 -0.029 670 HG12 ILE 83 2HG1 ILE 83 10.798 0.120 -0.046 671 HG13 ILE 83 1HG1 ILE 83 10.942 1.184 1.348 672 HG21 ILE 83 1HG2 ILE 83 9.885 2.831 -2.452 673 HG22 ILE 83 2HG2 ILE 83 8.756 1.750 -1.635 674 HG23 ILE 83 3HG2 ILE 83 10.246 1.108 -2.326 675 HD11 ILE 83 3HD1 ILE 83 8.958 -0.180 1.509 676 HD12 ILE 83 1HD1 ILE 83 8.387 0.416 -0.049 677 HD13 ILE 83 2HD1 ILE 83 8.514 1.516 1.324 678 H GLU 84 H GLU 84 13.326 2.771 -2.919 679 HA GLU 84 HA GLU 84 13.399 5.629 -3.042 680 HB2 GLU 84 2HB GLU 84 14.078 3.627 -5.211 681 HB3 GLU 84 1HB GLU 84 14.549 5.321 -5.173 682 HG2 GLU 84 2HG GLU 84 15.899 4.888 -3.162 683 HG3 GLU 84 1HG GLU 84 15.445 3.185 -3.238 684 H VAL 85 H VAL 85 11.475 6.652 -3.316 685 HA VAL 85 HA VAL 85 9.633 5.749 -5.425 686 HB VAL 85 HB VAL 85 9.213 7.980 -3.426 687 HG11 VAL 85 1HG1 VAL 85 7.263 6.430 -5.138 688 HG12 VAL 85 2HG1 VAL 85 7.756 8.109 -5.367 689 HG13 VAL 85 3HG1 VAL 85 6.832 7.650 -3.938 690 HG21 VAL 85 3HG2 VAL 85 8.430 5.071 -3.195 691 HG22 VAL 85 1HG2 VAL 85 7.874 6.360 -2.126 692 HG23 VAL 85 2HG2 VAL 85 9.584 5.942 -2.184 693 H SER 86 H SER 86 9.551 6.751 -7.358 694 HA SER 86 HA SER 86 11.274 8.949 -7.975 695 HB2 SER 86 2HB SER 86 10.781 7.218 -9.642 696 HB3 SER 86 1HB SER 86 9.085 7.692 -9.644 697 HG SER 86 HG SER 86 10.498 8.581 -11.363 698 H GLU 87 H GLU 87 10.553 10.927 -9.071 699 HA GLU 87 HA GLU 87 9.448 12.678 -7.371 700 HB2 GLU 87 2HB GLU 87 9.062 14.192 -9.325 701 HB3 GLU 87 1HB GLU 87 10.650 13.437 -9.286 702 HG2 GLU 87 2HG GLU 87 9.886 11.777 -10.933 703 HG3 GLU 87 1HG GLU 87 8.315 12.577 -10.992 704 H ILE 88 H ILE 88 7.476 11.293 -10.041 705 HA ILE 88 HA ILE 88 5.126 12.664 -9.049 706 HB ILE 88 HB ILE 88 3.965 11.509 -10.985 707 HG12 ILE 88 2HG1 ILE 88 5.620 10.715 -12.796 708 HG13 ILE 88 1HG1 ILE 88 6.792 10.546 -11.496 709 HG21 ILE 88 1HG2 ILE 88 6.355 13.256 -11.573 710 HG22 ILE 88 2HG2 ILE 88 4.736 13.797 -11.131 711 HG23 ILE 88 3HG2 ILE 88 5.001 12.976 -12.668 712 HD11 ILE 88 3HD1 ILE 88 5.377 8.905 -10.410 713 HD12 ILE 88 1HD1 ILE 88 5.718 8.430 -12.073 714 HD13 ILE 88 2HD1 ILE 88 4.147 9.116 -11.657 715 H GLY 89 H GLY 89 6.464 10.330 -7.579 716 HA2 GLY 89 2HA GLY 89 5.628 8.838 -6.026 717 HA3 GLY 89 1HA GLY 89 4.016 9.125 -6.657 718 H LYS 90 H LYS 90 7.033 7.799 -8.074 719 HA LYS 90 HA LYS 90 5.435 5.446 -8.934 720 HB2 LYS 90 2HB LYS 90 6.139 6.778 -10.837 721 HB3 LYS 90 1HB LYS 90 7.806 6.730 -10.297 722 HG2 LYS 90 2HG LYS 90 7.826 4.288 -10.635 723 HG3 LYS 90 1HG LYS 90 6.174 4.383 -11.253 724 HD2 LYS 90 2HD LYS 90 6.914 5.808 -13.083 725 HD3 LYS 90 1HD LYS 90 8.557 5.823 -12.439 726 HE2 LYS 90 2HE LYS 90 8.687 3.383 -12.785 727 HE3 LYS 90 1HE LYS 90 7.066 3.408 -13.483 728 HZ1 LYS 90 3HZ LYS 90 9.441 4.840 -14.550 729 HZ2 LYS 90 1HZ LYS 90 7.887 4.881 -15.215 730 HZ3 LYS 90 2HZ LYS 90 8.762 3.435 -15.194 731 H ILE 91 H ILE 91 6.009 3.520 -8.173 732 HA ILE 91 HA ILE 91 8.648 3.213 -6.863 733 HB ILE 91 HB ILE 91 6.086 1.714 -6.252 734 HG12 ILE 91 2HG1 ILE 91 7.427 3.913 -4.648 735 HG13 ILE 91 1HG1 ILE 91 5.978 4.125 -5.629 736 HG21 ILE 91 1HG2 ILE 91 8.100 0.417 -5.766 737 HG22 ILE 91 2HG2 ILE 91 7.292 0.897 -4.275 738 HG23 ILE 91 3HG2 ILE 91 8.742 1.751 -4.806 739 HD11 ILE 91 3HD1 ILE 91 5.386 3.898 -3.308 740 HD12 ILE 91 1HD1 ILE 91 6.255 2.366 -3.201 741 HD13 ILE 91 2HD1 ILE 91 4.809 2.494 -4.205 742 H ALA 92 H ALA 92 9.936 1.495 -7.434 743 HA ALA 92 HA ALA 92 9.250 -0.050 -9.765 744 HB1 ALA 92 3HB ALA 92 11.471 -1.033 -9.522 745 HB2 ALA 92 1HB ALA 92 11.641 -0.287 -7.932 746 HB3 ALA 92 2HB ALA 92 11.547 0.722 -9.375 747 H LEU 93 H LEU 93 7.502 -1.366 -9.253 748 HA LEU 93 HA LEU 93 7.139 -2.867 -6.934 749 HB2 LEU 93 2HB LEU 93 6.159 -3.338 -9.749 750 HB3 LEU 93 1HB LEU 93 5.659 -4.333 -8.393 751 HG LEU 93 HG LEU 93 5.188 -1.350 -8.611 752 HD11 LEU 93 1HD1 LEU 93 3.258 -3.646 -8.974 753 HD12 LEU 93 2HD1 LEU 93 3.870 -2.595 -10.252 754 HD13 LEU 93 3HD1 LEU 93 2.847 -1.930 -8.980 755 HD21 LEU 93 3HD2 LEU 93 5.390 -2.088 -6.303 756 HD22 LEU 93 1HD2 LEU 93 4.221 -3.378 -6.590 757 HD23 LEU 93 2HD2 LEU 93 3.714 -1.691 -6.673 758 H ARG 94 H ARG 94 8.640 -3.878 -10.000 759 HA ARG 94 HA ARG 94 8.996 -6.567 -9.443 760 HB2 ARG 94 2HB ARG 94 10.781 -4.747 -11.067 761 HB3 ARG 94 1HB ARG 94 10.859 -6.507 -11.092 762 HG2 ARG 94 2HG ARG 94 8.515 -6.565 -11.886 763 HG3 ARG 94 1HG ARG 94 8.517 -4.801 -11.935 764 HD2 ARG 94 2HD ARG 94 10.357 -4.859 -13.567 765 HD3 ARG 94 1HD ARG 94 10.330 -6.624 -13.524 766 HE ARG 94 HE ARG 94 7.834 -5.325 -14.249 767 HH11 ARG 94 1HH1 ARG 94 10.694 -6.929 -15.303 768 HH12 ARG 94 2HH1 ARG 94 10.082 -7.216 -16.893 769 HH21 ARG 94 1HH2 ARG 94 7.053 -5.705 -16.297 770 HH22 ARG 94 2HH2 ARG 94 8.034 -6.552 -17.441 771 H LYS 95 H LYS 95 10.733 -3.907 -8.039 772 HA LYS 95 HA LYS 95 12.761 -5.747 -6.962 773 HB2 LYS 95 2HB LYS 95 13.527 -3.616 -8.043 774 HB3 LYS 95 1HB LYS 95 12.718 -2.727 -6.757 775 HG2 LYS 95 2HG LYS 95 14.145 -3.975 -5.114 776 HG3 LYS 95 1HG LYS 95 15.041 -4.626 -6.486 777 HD2 LYS 95 2HD LYS 95 15.572 -2.292 -7.175 778 HD3 LYS 95 1HD LYS 95 14.772 -1.717 -5.708 779 HE2 LYS 95 2HE LYS 95 17.219 -3.481 -5.878 780 HE3 LYS 95 1HE LYS 95 17.157 -1.807 -5.332 781 HZ1 LYS 95 3HZ LYS 95 17.264 -3.360 -3.481 782 HZ2 LYS 95 1HZ LYS 95 15.835 -4.104 -3.984 783 HZ3 LYS 95 2HZ LYS 95 15.813 -2.501 -3.450 784 H TYR 96 H TYR 96 10.155 -3.564 -5.927 785 HA TYR 96 HA TYR 96 10.873 -4.038 -3.103 786 HB2 TYR 96 2HB TYR 96 9.012 -1.967 -4.302 787 HB3 TYR 96 1HB TYR 96 9.421 -2.111 -2.597 788 HD1 TYR 96 HD1 TYR 96 11.889 -1.804 -1.938 789 HD2 TYR 96 HD2 TYR 96 10.330 -0.656 -5.729 790 HE1 TYR 96 HE1 TYR 96 13.804 -0.296 -2.269 791 HE2 TYR 96 HE2 TYR 96 12.239 0.847 -6.066 792 HH TYR 96 HH TYR 96 15.005 0.791 -4.044 793 H LYS 97 H LYS 97 8.985 -5.526 -5.261 794 HA LYS 97 HA LYS 97 6.384 -5.452 -4.255 795 HB2 LYS 97 2HB LYS 97 7.219 -6.400 -6.463 796 HB3 LYS 97 1HB LYS 97 7.646 -7.855 -5.574 797 HG2 LYS 97 2HG LYS 97 5.325 -8.192 -4.955 798 HG3 LYS 97 1HG LYS 97 4.885 -6.674 -5.751 799 HD2 LYS 97 2HD LYS 97 5.535 -7.559 -7.902 800 HD3 LYS 97 1HD LYS 97 6.146 -9.033 -7.152 801 HE2 LYS 97 2HE LYS 97 3.951 -9.388 -8.185 802 HE3 LYS 97 1HE LYS 97 3.883 -9.621 -6.439 803 HZ1 LYS 97 3HZ LYS 97 2.006 -8.337 -7.349 804 HZ2 LYS 97 1HZ LYS 97 3.075 -7.117 -7.820 805 HZ3 LYS 97 2HZ LYS 97 2.871 -7.486 -6.180 806 H TRP 98 H TRP 98 5.263 -6.644 -2.764 807 HA TRP 98 HA TRP 98 6.589 -7.682 -0.527 808 HB2 TRP 98 2HB TRP 98 4.353 -6.827 -0.313 809 HB3 TRP 98 1HB TRP 98 3.734 -8.002 -1.469 810 HD1 TRP 98 HD1 TRP 98 6.074 -9.155 1.340 811 HE1 TRP 98 HE1 TRP 98 4.735 -10.640 2.958 812 HE3 TRP 98 HE3 TRP 98 1.393 -8.400 -0.558 813 HZ2 TRP 98 HZ2 TRP 98 2.052 -11.390 3.374 814 HZ3 TRP 98 HZ3 TRP 98 -0.508 -9.535 0.507 815 HH2 TRP 98 HH2 TRP 98 -0.182 -11.002 2.444 816 H GLN 99 H GLN 99 7.627 -9.519 -0.258 817 HA GLN 99 HA GLN 99 6.925 -11.857 -1.919 818 HB2 GLN 99 2HB GLN 99 9.625 -10.995 -0.855 819 HB3 GLN 99 1HB GLN 99 9.322 -12.487 -1.740 820 HG2 GLN 99 2HG GLN 99 8.902 -11.352 -3.748 821 HG3 GLN 99 1HG GLN 99 8.665 -9.808 -2.928 822 HE21 GLN 99 1HE2 GLN 99 10.473 -10.535 -5.117 823 HE22 GLN 99 2HE2 GLN 99 12.060 -10.134 -4.567 824 HA PRO 100 HA PRO 100 6.325 -13.325 2.410 825 HB2 PRO 100 2HB PRO 100 4.062 -14.700 2.009 826 HB3 PRO 100 1HB PRO 100 4.052 -12.935 2.112 827 HG2 PRO 100 2HG PRO 100 3.981 -14.686 -0.325 828 HG3 PRO 100 1HG PRO 100 3.018 -13.241 0.041 829 HD2 PRO 100 2HD PRO 100 5.268 -13.227 -1.548 830 HD3 PRO 100 1HD PRO 100 4.684 -11.814 -0.647 831 H LEU 101 H LEU 101 7.045 -14.848 -0.540 832 HA LEU 101 HA LEU 101 7.017 -17.568 0.567 833 HB2 LEU 101 2HB LEU 101 7.751 -16.708 -2.233 834 HB3 LEU 101 1HB LEU 101 7.360 -18.329 -1.688 835 HG LEU 101 HG LEU 101 5.432 -16.003 -1.862 836 HD11 LEU 101 1HD1 LEU 101 4.386 -17.288 -3.654 837 HD12 LEU 101 2HD1 LEU 101 5.647 -18.514 -3.522 838 HD13 LEU 101 3HD1 LEU 101 6.055 -16.879 -4.047 839 HD21 LEU 101 3HD2 LEU 101 4.874 -17.471 0.006 840 HD22 LEU 101 1HD2 LEU 101 4.929 -18.874 -1.064 841 HD23 LEU 101 2HD2 LEU 101 3.700 -17.630 -1.297 842 H GLU 102 H GLU 102 9.080 -15.173 0.928 843 HA GLU 102 HA GLU 102 11.414 -16.878 1.043 844 HB2 GLU 102 2HB GLU 102 12.814 -15.379 -0.361 845 HB3 GLU 102 1HB GLU 102 11.554 -16.210 -1.264 846 HG2 GLU 102 2HG GLU 102 10.171 -14.137 -1.098 847 HG3 GLU 102 1HG GLU 102 11.567 -13.331 -0.386 Start of MODEL 8 1 H1 MET 1 1H MET 1 -17.489 -2.674 12.016 2 H2 MET 1 2H MET 1 -16.400 -1.925 13.074 3 H3 MET 1 3H MET 1 -16.709 -3.585 13.214 4 HA MET 1 HA MET 1 -15.394 -2.238 10.926 5 HB2 MET 1 2HB MET 1 -14.008 -2.364 12.979 6 HB3 MET 1 1HB MET 1 -14.249 -4.103 13.024 7 HG2 MET 1 2HG MET 1 -13.040 -4.362 10.946 8 HG3 MET 1 1HG MET 1 -12.872 -2.613 10.794 9 HE1 MET 1 3HE MET 1 -10.416 -4.626 10.590 10 HE2 MET 1 1HE MET 1 -9.206 -3.812 11.582 11 HE3 MET 1 2HE MET 1 -10.217 -2.878 10.481 12 H ASP 2 H ASP 2 -16.085 -3.218 9.137 13 HA ASP 2 HA ASP 2 -17.361 -5.694 8.964 14 HB2 ASP 2 2HB ASP 2 -15.884 -4.211 6.774 15 HB3 ASP 2 1HB ASP 2 -17.129 -5.436 6.541 16 H GLN 3 H GLN 3 -16.735 -7.701 8.034 17 HA GLN 3 HA GLN 3 -14.266 -8.771 8.765 18 HB2 GLN 3 2HB GLN 3 -16.263 -9.689 6.695 19 HB3 GLN 3 1HB GLN 3 -14.831 -10.620 7.110 20 HG2 GLN 3 2HG GLN 3 -17.083 -9.866 8.963 21 HG3 GLN 3 1HG GLN 3 -16.736 -11.468 8.311 22 HE21 GLN 3 1HE2 GLN 3 -15.792 -9.054 10.624 23 HE22 GLN 3 2HE2 GLN 3 -14.706 -10.052 11.522 24 H PHE 4 H PHE 4 -15.263 -7.384 5.655 25 HA PHE 4 HA PHE 4 -13.047 -7.830 4.095 26 HB2 PHE 4 2HB PHE 4 -14.892 -6.647 3.155 27 HB3 PHE 4 1HB PHE 4 -14.795 -5.378 4.370 28 HD1 PHE 4 HD1 PHE 4 -12.657 -6.917 1.709 29 HD2 PHE 4 HD2 PHE 4 -13.880 -3.369 3.726 30 HE1 PHE 4 HE1 PHE 4 -11.266 -5.576 0.191 31 HE2 PHE 4 HE2 PHE 4 -12.492 -2.024 2.206 32 HZ PHE 4 HZ PHE 4 -11.181 -3.128 0.438 33 H LEU 5 H LEU 5 -13.479 -5.188 6.429 34 HA LEU 5 HA LEU 5 -10.917 -4.051 6.162 35 HB2 LEU 5 2HB LEU 5 -12.750 -4.014 8.568 36 HB3 LEU 5 1HB LEU 5 -11.430 -2.897 8.258 37 HG LEU 5 HG LEU 5 -13.902 -3.155 6.530 38 HD11 LEU 5 1HD1 LEU 5 -14.509 -2.293 8.703 39 HD12 LEU 5 2HD1 LEU 5 -14.563 -0.997 7.506 40 HD13 LEU 5 3HD1 LEU 5 -13.207 -1.105 8.630 41 HD21 LEU 5 3HD2 LEU 5 -13.121 -1.054 5.530 42 HD22 LEU 5 1HD2 LEU 5 -11.958 -2.360 5.295 43 HD23 LEU 5 2HD2 LEU 5 -11.663 -1.124 6.519 44 H VAL 6 H VAL 6 -12.204 -6.372 8.544 45 HA VAL 6 HA VAL 6 -9.917 -6.658 10.123 46 HB VAL 6 HB VAL 6 -12.010 -8.761 9.510 47 HG11 VAL 6 1HG1 VAL 6 -11.363 -9.754 11.667 48 HG12 VAL 6 2HG1 VAL 6 -10.067 -8.568 11.820 49 HG13 VAL 6 3HG1 VAL 6 -10.024 -9.758 10.518 50 HG21 VAL 6 3HG2 VAL 6 -13.096 -7.977 11.575 51 HG22 VAL 6 1HG2 VAL 6 -12.999 -6.699 10.360 52 HG23 VAL 6 2HG2 VAL 6 -11.881 -6.706 11.724 53 H GLN 7 H GLN 7 -10.817 -8.361 7.139 54 HA GLN 7 HA GLN 7 -8.653 -10.227 7.283 55 HB2 GLN 7 2HB GLN 7 -10.471 -9.496 4.978 56 HB3 GLN 7 1HB GLN 7 -9.324 -10.827 4.963 57 HG2 GLN 7 2HG GLN 7 -11.693 -10.547 6.808 58 HG3 GLN 7 1HG GLN 7 -11.573 -11.620 5.415 59 HE21 GLN 7 1HE2 GLN 7 -10.502 -11.035 8.673 60 HE22 GLN 7 2HE2 GLN 7 -9.858 -12.609 8.954 61 H ILE 8 H ILE 8 -9.195 -7.307 5.232 62 HA ILE 8 HA ILE 8 -6.752 -7.509 3.857 63 HB ILE 8 HB ILE 8 -6.963 -5.133 3.288 64 HG12 ILE 8 2HG1 ILE 8 -9.322 -5.130 5.200 65 HG13 ILE 8 1HG1 ILE 8 -7.800 -4.277 5.432 66 HG21 ILE 8 1HG2 ILE 8 -9.551 -6.681 3.113 67 HG22 ILE 8 2HG2 ILE 8 -8.195 -6.762 1.987 68 HG23 ILE 8 3HG2 ILE 8 -9.134 -5.276 2.130 69 HD11 ILE 8 3HD1 ILE 8 -8.275 -2.896 3.473 70 HD12 ILE 8 1HD1 ILE 8 -9.536 -2.764 4.697 71 HD13 ILE 8 2HD1 ILE 8 -9.810 -3.740 3.255 72 H PHE 9 H PHE 9 -7.502 -5.811 6.914 73 HA PHE 9 HA PHE 9 -4.937 -4.827 7.473 74 HB2 PHE 9 2HB PHE 9 -7.194 -5.757 9.242 75 HB3 PHE 9 1HB PHE 9 -5.662 -5.259 9.943 76 HD1 PHE 9 HD1 PHE 9 -7.739 -3.853 7.158 77 HD2 PHE 9 HD2 PHE 9 -5.929 -3.211 10.956 78 HE1 PHE 9 HE1 PHE 9 -8.506 -1.521 7.123 79 HE2 PHE 9 HE2 PHE 9 -6.690 -0.870 10.924 80 HZ PHE 9 HZ PHE 9 -7.983 -0.024 9.008 81 H ALA 10 H ALA 10 -6.368 -7.995 8.239 82 HA ALA 10 HA ALA 10 -4.175 -9.117 9.580 83 HB1 ALA 10 3HB ALA 10 -6.452 -10.047 9.624 84 HB2 ALA 10 1HB ALA 10 -5.244 -11.263 9.203 85 HB3 ALA 10 2HB ALA 10 -6.265 -10.560 7.947 86 H VAL 11 H VAL 11 -4.594 -8.504 6.213 87 HA VAL 11 HA VAL 11 -2.449 -10.333 5.435 88 HB VAL 11 HB VAL 11 -3.969 -8.334 3.735 89 HG11 VAL 11 1HG1 VAL 11 -2.181 -10.637 2.933 90 HG12 VAL 11 2HG1 VAL 11 -1.797 -8.922 2.784 91 HG13 VAL 11 3HG1 VAL 11 -3.106 -9.621 1.830 92 HG21 VAL 11 3HG2 VAL 11 -5.447 -10.059 4.675 93 HG22 VAL 11 1HG2 VAL 11 -4.394 -11.316 4.022 94 HG23 VAL 11 2HG2 VAL 11 -5.266 -10.240 2.930 95 H ILE 12 H ILE 12 -3.059 -6.812 5.437 96 HA ILE 12 HA ILE 12 -0.646 -5.991 4.296 97 HB ILE 12 HB ILE 12 -2.396 -4.496 6.259 98 HG12 ILE 12 2HG1 ILE 12 -2.315 -4.414 3.226 99 HG13 ILE 12 1HG1 ILE 12 -3.524 -5.267 4.178 100 HG21 ILE 12 1HG2 ILE 12 -0.174 -3.487 6.139 101 HG22 ILE 12 2HG2 ILE 12 -1.369 -2.453 5.356 102 HG23 ILE 12 3HG2 ILE 12 -0.277 -3.437 4.378 103 HD11 ILE 12 3HD1 ILE 12 -3.063 -2.295 4.168 104 HD12 ILE 12 1HD1 ILE 12 -4.273 -3.150 5.126 105 HD13 ILE 12 2HD1 ILE 12 -4.377 -3.155 3.366 106 H HIS 13 H HIS 13 -1.385 -6.608 7.727 107 HA HIS 13 HA HIS 13 0.940 -5.519 8.848 108 HB2 HIS 13 2HB HIS 13 -0.870 -7.759 9.730 109 HB3 HIS 13 1HB HIS 13 0.546 -7.314 10.676 110 HD2 HIS 13 HD2 HIS 13 -3.090 -6.383 10.390 111 HE1 HIS 13 HE1 HIS 13 -1.157 -3.150 12.313 112 HE2 HIS 13 HE2 HIS 13 -3.364 -4.325 11.949 113 H GLN 14 H GLN 14 0.617 -8.360 6.924 114 HA GLN 14 HA GLN 14 2.997 -9.669 7.935 115 HB2 GLN 14 2HB GLN 14 0.982 -10.273 5.798 116 HB3 GLN 14 1HB GLN 14 2.506 -11.145 5.824 117 HG2 GLN 14 2HG GLN 14 0.353 -12.063 7.039 118 HG3 GLN 14 1HG GLN 14 1.969 -12.328 7.680 119 HE21 GLN 14 1HE2 GLN 14 -0.983 -10.507 8.037 120 HE22 GLN 14 2HE2 GLN 14 -0.702 -10.000 9.664 121 H ILE 15 H ILE 15 2.503 -7.113 5.823 122 HA ILE 15 HA ILE 15 4.628 -7.685 3.957 123 HB ILE 15 HB ILE 15 3.362 -4.992 4.553 124 HG12 ILE 15 2HG1 ILE 15 2.563 -7.040 2.458 125 HG13 ILE 15 1HG1 ILE 15 1.666 -6.709 3.937 126 HG21 ILE 15 1HG2 ILE 15 4.095 -4.422 2.277 127 HG22 ILE 15 2HG2 ILE 15 4.859 -6.005 2.127 128 HG23 ILE 15 3HG2 ILE 15 5.458 -4.844 3.313 129 HD11 ILE 15 3HD1 ILE 15 1.301 -4.403 3.168 130 HD12 ILE 15 1HD1 ILE 15 0.631 -5.608 2.068 131 HD13 ILE 15 2HD1 ILE 15 2.141 -4.792 1.666 132 HA PRO 16 HA PRO 16 7.777 -6.471 6.916 133 HB2 PRO 16 2HB PRO 16 9.944 -7.085 5.461 134 HB3 PRO 16 1HB PRO 16 8.865 -8.338 6.089 135 HG2 PRO 16 2HG PRO 16 9.006 -7.165 3.334 136 HG3 PRO 16 1HG PRO 16 8.833 -8.863 3.817 137 HD2 PRO 16 2HD PRO 16 6.734 -7.268 3.040 138 HD3 PRO 16 1HD PRO 16 6.566 -8.673 4.110 139 H LYS 17 H LYS 17 9.947 -5.229 6.813 140 HA LYS 17 HA LYS 17 9.386 -2.542 6.104 141 HB2 LYS 17 2HB LYS 17 10.842 -3.340 8.010 142 HB3 LYS 17 1HB LYS 17 12.071 -3.736 6.826 143 HG2 LYS 17 2HG LYS 17 12.721 -1.659 7.658 144 HG3 LYS 17 1HG LYS 17 11.942 -1.280 6.118 145 HD2 LYS 17 2HD LYS 17 9.889 -0.687 7.275 146 HD3 LYS 17 1HD LYS 17 10.608 -1.134 8.820 147 HE2 LYS 17 2HE LYS 17 12.242 0.647 8.619 148 HE3 LYS 17 1HE LYS 17 11.646 1.050 7.010 149 HZ1 LYS 17 3HZ LYS 17 9.524 1.655 7.994 150 HZ2 LYS 17 1HZ LYS 17 10.781 2.564 8.665 151 HZ3 LYS 17 2HZ LYS 17 10.107 1.285 9.536 152 H GLY 18 H GLY 18 9.604 -1.583 4.158 153 HA2 GLY 18 2HA GLY 18 10.888 -0.791 2.351 154 HA3 GLY 18 1HA GLY 18 11.980 -2.147 2.544 155 H LYS 19 H LYS 19 8.859 -3.368 2.533 156 HA LYS 19 HA LYS 19 8.955 -3.809 -0.389 157 HB2 LYS 19 2HB LYS 19 7.991 -5.712 1.763 158 HB3 LYS 19 1HB LYS 19 7.881 -6.012 0.034 159 HG2 LYS 19 2HG LYS 19 10.438 -5.659 1.604 160 HG3 LYS 19 1HG LYS 19 9.777 -7.188 1.021 161 HD2 LYS 19 2HD LYS 19 10.051 -6.491 -1.273 162 HD3 LYS 19 1HD LYS 19 10.553 -4.878 -0.769 163 HE2 LYS 19 2HE LYS 19 12.495 -6.167 -1.416 164 HE3 LYS 19 1HE LYS 19 12.539 -5.864 0.317 165 HZ1 LYS 19 3HZ LYS 19 13.158 -8.143 -0.268 166 HZ2 LYS 19 1HZ LYS 19 11.626 -8.395 -0.935 167 HZ3 LYS 19 2HZ LYS 19 11.786 -8.102 0.719 168 H VAL 20 H VAL 20 7.024 -3.822 -1.563 169 HA VAL 20 HA VAL 20 4.614 -2.867 -0.147 170 HB VAL 20 HB VAL 20 4.088 -1.383 -2.044 171 HG11 VAL 20 1HG1 VAL 20 5.745 0.363 -1.567 172 HG12 VAL 20 2HG1 VAL 20 6.786 -0.838 -0.800 173 HG13 VAL 20 3HG1 VAL 20 5.215 -0.454 -0.096 174 HG21 VAL 20 3HG2 VAL 20 6.842 -2.111 -3.068 175 HG22 VAL 20 1HG2 VAL 20 5.801 -0.851 -3.731 176 HG23 VAL 20 2HG2 VAL 20 5.304 -2.541 -3.821 177 H SER 21 H SER 21 2.595 -3.276 -1.238 178 HA SER 21 HA SER 21 2.680 -5.344 -3.341 179 HB2 SER 21 2HB SER 21 0.833 -6.545 -2.235 180 HB3 SER 21 1HB SER 21 2.237 -6.446 -1.171 181 HG SER 21 HG SER 21 1.225 -4.751 -0.074 182 H THR 22 H THR 22 0.397 -5.638 -4.303 183 HA THR 22 HA THR 22 -0.720 -2.949 -4.787 184 HB THR 22 HB THR 22 -1.653 -3.849 -6.864 185 HG1 THR 22 HG1 THR 22 -0.313 -6.289 -6.216 186 HG21 THR 22 3HG2 THR 22 0.458 -4.304 -8.063 187 HG22 THR 22 1HG2 THR 22 1.281 -4.507 -6.515 188 HG23 THR 22 2HG2 THR 22 0.608 -2.937 -6.960 189 H TYR 23 H TYR 23 -2.989 -2.611 -4.865 190 HA TYR 23 HA TYR 23 -4.529 -3.640 -2.836 191 HB2 TYR 23 2HB TYR 23 -5.489 -2.519 -5.478 192 HB3 TYR 23 1HB TYR 23 -6.520 -2.778 -4.076 193 HD1 TYR 23 HD2 TYR 23 -5.767 -1.586 -1.872 194 HD2 TYR 23 HD1 TYR 23 -4.451 -0.447 -5.759 195 HE1 TYR 23 HE2 TYR 23 -5.190 0.647 -1.019 196 HE2 TYR 23 HE1 TYR 23 -3.875 1.783 -4.913 197 HH TYR 23 HH TYR 23 -3.692 2.508 -1.607 198 H GLY 24 H GLY 24 -4.372 -4.848 -6.167 199 HA2 GLY 24 2HA GLY 24 -6.511 -6.652 -6.074 200 HA3 GLY 24 1HA GLY 24 -5.113 -6.797 -7.126 201 H GLU 25 H GLU 25 -3.113 -7.137 -5.162 202 HA GLU 25 HA GLU 25 -3.323 -9.918 -4.630 203 HB2 GLU 25 2HB GLU 25 -1.369 -7.870 -3.548 204 HB3 GLU 25 1HB GLU 25 -1.181 -9.615 -3.409 205 HG2 GLU 25 2HG GLU 25 -1.010 -9.832 -5.805 206 HG3 GLU 25 1HG GLU 25 -1.335 -8.112 -6.018 207 H ILE 26 H ILE 26 -3.217 -7.132 -2.388 208 HA ILE 26 HA ILE 26 -3.675 -8.483 -0.003 209 HB ILE 26 HB ILE 26 -4.656 -5.714 -0.749 210 HG12 ILE 26 2HG1 ILE 26 -2.233 -5.965 -1.074 211 HG13 ILE 26 1HG1 ILE 26 -2.578 -4.906 0.288 212 HG21 ILE 26 1HG2 ILE 26 -4.612 -5.253 1.667 213 HG22 ILE 26 2HG2 ILE 26 -4.215 -6.944 1.976 214 HG23 ILE 26 3HG2 ILE 26 -5.769 -6.519 1.255 215 HD11 ILE 26 3HD1 ILE 26 -1.723 -7.789 0.444 216 HD12 ILE 26 1HD1 ILE 26 -2.113 -6.762 1.825 217 HD13 ILE 26 2HD1 ILE 26 -0.735 -6.373 0.797 218 H ALA 27 H ALA 27 -6.094 -7.009 -2.167 219 HA ALA 27 HA ALA 27 -8.393 -7.718 -0.733 220 HB1 ALA 27 3HB ALA 27 -9.603 -7.295 -2.816 221 HB2 ALA 27 1HB ALA 27 -8.084 -7.337 -3.715 222 HB3 ALA 27 2HB ALA 27 -8.376 -6.062 -2.534 223 H LYS 28 H LYS 28 -6.679 -9.477 -3.318 224 HA LYS 28 HA LYS 28 -8.495 -11.621 -3.555 225 HB2 LYS 28 2HB LYS 28 -6.697 -11.111 -5.196 226 HB3 LYS 28 1HB LYS 28 -5.503 -11.676 -4.035 227 HG2 LYS 28 2HG LYS 28 -6.610 -13.910 -4.070 228 HG3 LYS 28 1HG LYS 28 -7.666 -13.314 -5.354 229 HD2 LYS 28 2HD LYS 28 -5.642 -12.838 -6.722 230 HD3 LYS 28 1HD LYS 28 -4.654 -13.573 -5.459 231 HE2 LYS 28 2HE LYS 28 -5.059 -15.175 -7.238 232 HE3 LYS 28 1HE LYS 28 -5.869 -15.696 -5.763 233 HZ1 LYS 28 3HZ LYS 28 -7.229 -14.238 -7.962 234 HZ2 LYS 28 1HZ LYS 28 -7.955 -14.979 -6.625 235 HZ3 LYS 28 2HZ LYS 28 -7.216 -15.920 -7.819 236 H MET 29 H MET 29 -5.557 -11.271 -1.565 237 HA MET 29 HA MET 29 -5.636 -13.826 -0.365 238 HB2 MET 29 2HB MET 29 -4.501 -11.238 0.725 239 HB3 MET 29 1HB MET 29 -4.168 -12.837 1.373 240 HG2 MET 29 2HG MET 29 -3.131 -13.473 -0.761 241 HG3 MET 29 1HG MET 29 -3.436 -11.849 -1.379 242 HE1 MET 29 3HE MET 29 -0.888 -11.476 -1.992 243 HE2 MET 29 1HE MET 29 -0.567 -13.127 -1.469 244 HE3 MET 29 2HE MET 29 0.438 -11.805 -0.876 245 H ALA 30 H ALA 30 -7.130 -10.749 0.544 246 HA ALA 30 HA ALA 30 -8.223 -11.623 3.021 247 HB1 ALA 30 3HB ALA 30 -9.618 -9.623 2.891 248 HB2 ALA 30 1HB ALA 30 -9.166 -9.406 1.201 249 HB3 ALA 30 2HB ALA 30 -7.945 -9.256 2.466 250 H GLY 31 H GLY 31 -9.279 -11.920 -0.298 251 HA2 GLY 31 2HA GLY 31 -10.807 -13.691 -0.903 252 HA3 GLY 31 1HA GLY 31 -11.653 -13.437 0.613 253 H TYR 32 H TYR 32 -10.801 -10.518 -0.846 254 HA TYR 32 HA TYR 32 -13.432 -10.253 -2.172 255 HB2 TYR 32 2HB TYR 32 -12.053 -8.068 -0.595 256 HB3 TYR 32 1HB TYR 32 -13.674 -8.031 -1.274 257 HD1 TYR 32 HD2 TYR 32 -11.571 -9.486 1.388 258 HD2 TYR 32 HD1 TYR 32 -15.539 -8.953 -0.064 259 HE1 TYR 32 HE2 TYR 32 -12.460 -10.261 3.544 260 HE2 TYR 32 HE1 TYR 32 -16.435 -9.725 2.092 261 HH TYR 32 HH TYR 32 -15.677 -11.125 4.009 262 HA PRO 33 HA PRO 33 -9.577 -9.287 -4.822 263 HB2 PRO 33 2HB PRO 33 -11.360 -10.494 -6.895 264 HB3 PRO 33 1HB PRO 33 -9.634 -10.746 -6.604 265 HG2 PRO 33 2HG PRO 33 -11.383 -12.600 -5.877 266 HG3 PRO 33 1HG PRO 33 -10.016 -12.200 -4.816 267 HD2 PRO 33 2HD PRO 33 -12.893 -11.373 -4.594 268 HD3 PRO 33 1HD PRO 33 -11.766 -11.883 -3.319 269 H GLY 34 H GLY 34 -13.007 -8.725 -5.592 270 HA2 GLY 34 2HA GLY 34 -12.386 -6.642 -7.516 271 HA3 GLY 34 1HA GLY 34 -13.985 -7.146 -7.001 272 H TYR 35 H TYR 35 -12.544 -6.679 -4.157 273 HA TYR 35 HA TYR 35 -13.714 -4.034 -3.854 274 HB2 TYR 35 2HB TYR 35 -12.657 -6.097 -1.940 275 HB3 TYR 35 1HB TYR 35 -12.976 -4.456 -1.397 276 HD1 TYR 35 HD1 TYR 35 -14.687 -7.254 -3.228 277 HD2 TYR 35 HD2 TYR 35 -15.063 -3.965 -0.547 278 HE1 TYR 35 HE1 TYR 35 -17.048 -7.832 -2.848 279 HE2 TYR 35 HE2 TYR 35 -17.420 -4.538 -0.162 280 HH TYR 35 HH TYR 35 -19.239 -5.747 -1.325 281 H ALA 36 H ALA 36 -10.941 -4.639 -5.185 282 HA ALA 36 HA ALA 36 -8.845 -3.586 -3.726 283 HB1 ALA 36 3HB ALA 36 -7.823 -2.982 -5.878 284 HB2 ALA 36 1HB ALA 36 -9.383 -3.197 -6.675 285 HB3 ALA 36 2HB ALA 36 -8.570 -4.578 -5.938 286 H ARG 37 H ARG 37 -11.233 -1.804 -5.655 287 HA ARG 37 HA ARG 37 -10.357 0.807 -5.224 288 HB2 ARG 37 2HB ARG 37 -12.808 1.408 -5.562 289 HB3 ARG 37 1HB ARG 37 -12.062 0.451 -6.835 290 HG2 ARG 37 2HG ARG 37 -13.099 -1.572 -5.945 291 HG3 ARG 37 1HG ARG 37 -13.816 -0.637 -4.633 292 HD2 ARG 37 2HD ARG 37 -15.220 0.559 -6.139 293 HD3 ARG 37 1HD ARG 37 -14.355 -0.064 -7.546 294 HE ARG 37 HE ARG 37 -15.237 -2.327 -6.592 295 HH11 ARG 37 1HH1 ARG 37 -16.938 0.666 -6.700 296 HH12 ARG 37 2HH1 ARG 37 -18.478 -0.096 -6.869 297 HH21 ARG 37 1HH2 ARG 37 -17.218 -3.294 -6.791 298 HH22 ARG 37 2HH2 ARG 37 -18.636 -2.312 -6.913 299 H HIS 38 H HIS 38 -12.387 -1.245 -3.158 300 HA HIS 38 HA HIS 38 -12.984 0.851 -1.287 301 HB2 HIS 38 2HB HIS 38 -13.382 -2.145 -1.125 302 HB3 HIS 38 1HB HIS 38 -13.924 -1.010 0.111 303 HD2 HIS 38 HD2 HIS 38 -15.133 -2.538 -3.138 304 HE1 HIS 38 HE1 HIS 38 -17.638 0.770 -2.299 305 HE2 HIS 38 HE2 HIS 38 -17.444 -1.421 -3.543 306 H VAL 39 H VAL 39 -10.497 -1.622 -1.539 307 HA VAL 39 HA VAL 39 -9.413 -1.404 1.053 308 HB VAL 39 HB VAL 39 -7.849 -1.849 -1.510 309 HG11 VAL 39 1HG1 VAL 39 -6.237 -3.011 -0.053 310 HG12 VAL 39 2HG1 VAL 39 -7.194 -2.556 1.359 311 HG13 VAL 39 3HG1 VAL 39 -6.412 -1.312 0.382 312 HG21 VAL 39 3HG2 VAL 39 -8.113 -4.251 -1.059 313 HG22 VAL 39 1HG2 VAL 39 -9.667 -3.466 -1.334 314 HG23 VAL 39 2HG2 VAL 39 -9.166 -3.877 0.306 315 H GLY 40 H GLY 40 -8.768 0.451 -1.921 316 HA2 GLY 40 2HA GLY 40 -6.910 2.288 -0.900 317 HA3 GLY 40 1HA GLY 40 -8.013 2.607 -2.229 318 H LYS 41 H LYS 41 -10.464 2.460 -0.923 319 HA LYS 41 HA LYS 41 -10.798 4.934 0.342 320 HB2 LYS 41 2HB LYS 41 -12.459 2.418 0.330 321 HB3 LYS 41 1HB LYS 41 -12.962 3.829 1.246 322 HG2 LYS 41 2HG LYS 41 -13.072 5.156 -0.775 323 HG3 LYS 41 1HG LYS 41 -12.452 3.804 -1.729 324 HD2 LYS 41 2HD LYS 41 -14.427 2.561 -1.468 325 HD3 LYS 41 1HD LYS 41 -14.954 3.514 -0.081 326 HE2 LYS 41 2HE LYS 41 -16.303 4.041 -2.025 327 HE3 LYS 41 1HE LYS 41 -15.337 5.438 -1.558 328 HZ1 LYS 41 3HZ LYS 41 -13.767 4.855 -3.333 329 HZ2 LYS 41 1HZ LYS 41 -15.318 5.166 -3.928 330 HZ3 LYS 41 2HZ LYS 41 -14.768 3.575 -3.799 331 H ALA 42 H ALA 42 -10.670 1.696 1.841 332 HA ALA 42 HA ALA 42 -10.905 2.461 4.509 333 HB1 ALA 42 3HB ALA 42 -9.370 0.104 3.411 334 HB2 ALA 42 1HB ALA 42 -11.107 0.149 3.722 335 HB3 ALA 42 2HB ALA 42 -9.970 0.281 5.062 336 H LEU 43 H LEU 43 -7.926 1.966 2.609 337 HA LEU 43 HA LEU 43 -6.139 2.620 4.721 338 HB2 LEU 43 2HB LEU 43 -5.688 2.738 1.733 339 HB3 LEU 43 1HB LEU 43 -4.432 2.776 2.957 340 HG LEU 43 HG LEU 43 -6.271 0.454 2.349 341 HD11 LEU 43 1HD1 LEU 43 -3.300 0.812 1.944 342 HD12 LEU 43 2HD1 LEU 43 -4.531 0.773 0.681 343 HD13 LEU 43 3HD1 LEU 43 -4.210 -0.670 1.642 344 HD21 LEU 43 3HD2 LEU 43 -4.985 -0.793 4.012 345 HD22 LEU 43 1HD2 LEU 43 -5.800 0.586 4.748 346 HD23 LEU 43 2HD2 LEU 43 -4.071 0.662 4.411 347 H GLY 44 H GLY 44 -7.541 4.546 2.079 348 HA2 GLY 44 2HA GLY 44 -6.093 6.927 2.543 349 HA3 GLY 44 1HA GLY 44 -7.642 6.818 1.726 350 H ASN 45 H ASN 45 -8.700 5.529 4.313 351 HA ASN 45 HA ASN 45 -9.437 8.014 5.629 352 HB2 ASN 45 2HB ASN 45 -10.303 5.143 6.023 353 HB3 ASN 45 1HB ASN 45 -10.877 6.468 7.034 354 HD21 ASN 45 1HD2 ASN 45 -12.364 4.719 5.234 355 HD22 ASN 45 2HD2 ASN 45 -13.154 5.765 4.112 356 H LEU 46 H LEU 46 -6.885 5.914 5.940 357 HA LEU 46 HA LEU 46 -6.666 6.108 8.844 358 HB2 LEU 46 2HB LEU 46 -4.910 4.770 6.783 359 HB3 LEU 46 1HB LEU 46 -4.598 4.750 8.510 360 HG LEU 46 HG LEU 46 -7.048 3.569 7.184 361 HD11 LEU 46 1HD1 LEU 46 -4.605 2.210 8.323 362 HD12 LEU 46 2HD1 LEU 46 -5.039 2.316 6.616 363 HD13 LEU 46 3HD1 LEU 46 -6.056 1.400 7.727 364 HD21 LEU 46 3HD2 LEU 46 -7.506 4.316 9.455 365 HD22 LEU 46 1HD2 LEU 46 -6.084 3.452 10.046 366 HD23 LEU 46 2HD2 LEU 46 -7.454 2.555 9.387 367 HA PRO 47 HA PRO 47 -4.078 9.773 8.335 368 HB2 PRO 47 2HB PRO 47 -3.786 10.340 10.960 369 HB3 PRO 47 1HB PRO 47 -5.296 10.654 10.097 370 HG2 PRO 47 2HG PRO 47 -4.582 8.360 11.891 371 HG3 PRO 47 1HG PRO 47 -6.084 9.301 11.826 372 HD2 PRO 47 2HD PRO 47 -5.792 6.849 10.651 373 HD3 PRO 47 1HD PRO 47 -6.907 8.093 10.048 374 H GLU 48 H GLU 48 -1.862 10.377 8.885 375 HA GLU 48 HA GLU 48 -0.088 8.160 8.933 376 HB2 GLU 48 2HB GLU 48 1.714 9.865 9.044 377 HB3 GLU 48 1HB GLU 48 0.556 10.150 7.752 378 HG2 GLU 48 2HG GLU 48 -0.555 11.844 9.200 379 HG3 GLU 48 1HG GLU 48 0.733 11.613 10.385 380 H GLY 49 H GLY 49 0.645 7.027 10.599 381 HA2 GLY 49 2HA GLY 49 1.583 6.898 12.836 382 HA3 GLY 49 1HA GLY 49 0.514 8.209 13.309 383 H SER 50 H SER 50 -1.354 6.356 11.382 384 HA SER 50 HA SER 50 -2.948 5.264 13.427 385 HB2 SER 50 2HB SER 50 -3.935 5.696 11.271 386 HB3 SER 50 1HB SER 50 -2.811 4.595 10.474 387 HG SER 50 HG SER 50 -5.148 4.060 11.830 388 H LYS 51 H LYS 51 -3.568 2.891 13.515 389 HA LYS 51 HA LYS 51 -1.345 1.435 14.500 390 HB2 LYS 51 2HB LYS 51 -3.003 -0.372 14.892 391 HB3 LYS 51 1HB LYS 51 -3.530 1.194 15.497 392 HG2 LYS 51 2HG LYS 51 -4.869 1.460 13.384 393 HG3 LYS 51 1HG LYS 51 -4.473 -0.217 13.006 394 HD2 LYS 51 2HD LYS 51 -5.922 0.726 15.488 395 HD3 LYS 51 1HD LYS 51 -6.689 0.012 14.068 396 HE2 LYS 51 2HE LYS 51 -5.406 -2.062 14.446 397 HE3 LYS 51 1HE LYS 51 -4.681 -1.339 15.882 398 HZ1 LYS 51 3HZ LYS 51 -6.853 -1.198 16.892 399 HZ2 LYS 51 1HZ LYS 51 -6.552 -2.791 16.414 400 HZ3 LYS 51 2HZ LYS 51 -7.587 -1.818 15.502 401 H LEU 52 H LEU 52 -2.976 1.383 11.401 402 HA LEU 52 HA LEU 52 -1.520 -1.052 10.598 403 HB2 LEU 52 2HB LEU 52 -3.955 -1.018 10.207 404 HB3 LEU 52 1HB LEU 52 -3.776 0.419 9.219 405 HG LEU 52 HG LEU 52 -2.268 -1.001 7.705 406 HD11 LEU 52 1HD1 LEU 52 -2.646 -3.414 7.774 407 HD12 LEU 52 2HD1 LEU 52 -3.596 -3.226 9.247 408 HD13 LEU 52 3HD1 LEU 52 -1.877 -2.835 9.252 409 HD21 LEU 52 3HD2 LEU 52 -4.497 -0.310 7.039 410 HD22 LEU 52 1HD2 LEU 52 -5.206 -1.662 7.922 411 HD23 LEU 52 2HD2 LEU 52 -4.188 -1.964 6.516 412 HA PRO 53 HA PRO 53 1.128 1.579 8.013 413 HB2 PRO 53 2HB PRO 53 2.516 -0.418 6.802 414 HB3 PRO 53 1HB PRO 53 2.859 0.108 8.455 415 HG2 PRO 53 2HG PRO 53 1.260 -2.251 7.513 416 HG3 PRO 53 1HG PRO 53 2.452 -2.158 8.825 417 HD2 PRO 53 2HD PRO 53 -0.233 -2.090 9.265 418 HD3 PRO 53 1HD PRO 53 0.933 -1.255 10.310 419 H TRP 54 H TRP 54 -0.508 2.369 6.646 420 HA TRP 54 HA TRP 54 -1.742 0.700 4.644 421 HB2 TRP 54 2HB TRP 54 -2.819 2.894 3.952 422 HB3 TRP 54 1HB TRP 54 -3.137 2.362 5.596 423 HD1 TRP 54 HD1 TRP 54 -2.275 3.886 7.565 424 HE1 TRP 54 HE1 TRP 54 -1.310 6.265 7.657 425 HE3 TRP 54 HE3 TRP 54 -1.271 4.546 2.594 426 HZ2 TRP 54 HZ2 TRP 54 -0.252 8.174 5.864 427 HZ3 TRP 54 HZ3 TRP 54 -0.283 6.678 1.867 428 HH2 TRP 54 HH2 TRP 54 0.213 8.450 3.470 429 H PHE 55 H PHE 55 0.992 2.769 4.767 430 HA PHE 55 HA PHE 55 1.088 3.641 2.092 431 HB2 PHE 55 2HB PHE 55 3.517 4.113 2.630 432 HB3 PHE 55 1HB PHE 55 2.326 4.855 3.693 433 HD1 PHE 55 HD1 PHE 55 4.968 2.324 3.441 434 HD2 PHE 55 HD2 PHE 55 2.097 4.157 6.003 435 HE1 PHE 55 HE1 PHE 55 6.095 1.351 5.398 436 HE2 PHE 55 HE2 PHE 55 3.221 3.181 7.959 437 HZ PHE 55 HZ PHE 55 5.221 1.779 7.662 438 H ARG 56 H ARG 56 1.806 0.542 3.388 439 HA ARG 56 HA ARG 56 3.752 -0.154 1.352 440 HB2 ARG 56 2HB ARG 56 2.430 -1.777 3.531 441 HB3 ARG 56 1HB ARG 56 3.580 -2.456 2.383 442 HG2 ARG 56 2HG ARG 56 5.305 -0.927 3.164 443 HG3 ARG 56 1HG ARG 56 4.159 -0.181 4.279 444 HD2 ARG 56 2HD ARG 56 3.954 -2.264 5.507 445 HD3 ARG 56 1HD ARG 56 5.016 -3.077 4.354 446 HE ARG 56 HE ARG 56 6.574 -1.080 5.220 447 HH11 ARG 56 1HH1 ARG 56 4.711 -3.433 6.902 448 HH12 ARG 56 2HH1 ARG 56 5.715 -3.382 8.303 449 HH21 ARG 56 1HH2 ARG 56 7.860 -1.029 7.007 450 HH22 ARG 56 2HH2 ARG 56 7.476 -2.038 8.368 451 H VAL 57 H VAL 57 0.572 0.322 1.032 452 HA VAL 57 HA VAL 57 0.335 -1.807 -1.009 453 HB VAL 57 HB VAL 57 -1.973 -0.531 0.479 454 HG11 VAL 57 1HG1 VAL 57 -1.888 -2.827 -1.486 455 HG12 VAL 57 2HG1 VAL 57 -2.584 -1.231 -1.766 456 HG13 VAL 57 3HG1 VAL 57 -3.313 -2.315 -0.582 457 HG21 VAL 57 3HG2 VAL 57 -0.690 -1.953 1.986 458 HG22 VAL 57 1HG2 VAL 57 -0.754 -3.278 0.823 459 HG23 VAL 57 2HG2 VAL 57 -2.234 -2.708 1.594 460 H ILE 58 H ILE 58 0.424 -1.007 -3.011 461 HA ILE 58 HA ILE 58 -0.678 1.688 -3.537 462 HB ILE 58 HB ILE 58 1.023 2.028 -5.258 463 HG12 ILE 58 2HG1 ILE 58 2.240 -0.579 -4.295 464 HG13 ILE 58 1HG1 ILE 58 1.396 -0.367 -5.824 465 HG21 ILE 58 1HG2 ILE 58 2.983 2.304 -3.787 466 HG22 ILE 58 2HG2 ILE 58 2.193 1.306 -2.567 467 HG23 ILE 58 3HG2 ILE 58 1.492 2.858 -3.028 468 HD11 ILE 58 3HD1 ILE 58 3.943 1.018 -5.017 469 HD12 ILE 58 1HD1 ILE 58 3.100 1.213 -6.555 470 HD13 ILE 58 2HD1 ILE 58 3.802 -0.346 -6.123 471 H ASN 59 H ASN 59 -0.536 1.780 -6.254 472 HA ASN 59 HA ASN 59 -2.626 -0.093 -7.018 473 HB2 ASN 59 2HB ASN 59 -2.789 1.314 -9.071 474 HB3 ASN 59 1HB ASN 59 -2.984 2.228 -7.579 475 HD21 ASN 59 1HD2 ASN 59 -2.367 4.176 -8.402 476 HD22 ASN 59 2HD2 ASN 59 -0.762 4.522 -8.929 477 H SER 60 H SER 60 -2.549 -1.132 -9.212 478 HA SER 60 HA SER 60 -0.083 -2.617 -9.470 479 HB2 SER 60 2HB SER 60 -1.293 -3.929 -11.168 480 HB3 SER 60 1HB SER 60 -2.246 -3.762 -9.695 481 HG SER 60 HG SER 60 -2.974 -3.157 -12.134 482 H GLN 61 H GLN 61 -0.660 0.355 -10.421 483 HA GLN 61 HA GLN 61 0.362 0.185 -13.157 484 HB2 GLN 61 2HB GLN 61 -0.399 2.608 -11.497 485 HB3 GLN 61 1HB GLN 61 -0.027 2.605 -13.217 486 HG2 GLN 61 2HG GLN 61 -1.997 1.312 -13.700 487 HG3 GLN 61 1HG GLN 61 -2.335 1.116 -11.981 488 HE21 GLN 61 1HE2 GLN 61 -2.338 3.329 -14.662 489 HE22 GLN 61 2HE2 GLN 61 -3.325 4.538 -13.919 490 H GLY 62 H GLY 62 1.613 0.311 -10.052 491 HA2 GLY 62 2HA GLY 62 3.792 0.535 -9.308 492 HA3 GLY 62 1HA GLY 62 4.283 0.896 -10.953 493 H LYS 63 H LYS 63 1.889 2.591 -8.977 494 HA LYS 63 HA LYS 63 3.692 4.909 -8.721 495 HB2 LYS 63 2HB LYS 63 0.848 4.984 -9.757 496 HB3 LYS 63 1HB LYS 63 1.733 6.407 -9.229 497 HG2 LYS 63 2HG LYS 63 3.407 5.981 -10.996 498 HG3 LYS 63 1HG LYS 63 2.431 4.617 -11.551 499 HD2 LYS 63 2HD LYS 63 1.993 6.621 -12.894 500 HD3 LYS 63 1HD LYS 63 0.555 6.128 -11.998 501 HE2 LYS 63 2HE LYS 63 1.058 7.845 -10.293 502 HE3 LYS 63 1HE LYS 63 2.463 8.348 -11.232 503 HZ1 LYS 63 3HZ LYS 63 0.580 9.793 -11.634 504 HZ2 LYS 63 1HZ LYS 63 -0.363 8.481 -12.131 505 HZ3 LYS 63 2HZ LYS 63 0.975 8.949 -13.048 506 H ILE 64 H ILE 64 2.909 6.503 -7.121 507 HA ILE 64 HA ILE 64 1.801 5.384 -4.758 508 HB ILE 64 HB ILE 64 2.082 8.292 -5.576 509 HG12 ILE 64 2HG1 ILE 64 3.822 6.518 -3.833 510 HG13 ILE 64 1HG1 ILE 64 4.227 7.097 -5.445 511 HG21 ILE 64 1HG2 ILE 64 1.797 8.841 -3.214 512 HG22 ILE 64 2HG2 ILE 64 1.542 7.139 -2.830 513 HG23 ILE 64 3HG2 ILE 64 0.370 8.003 -3.827 514 HD11 ILE 64 3HD1 ILE 64 4.261 9.387 -4.615 515 HD12 ILE 64 1HD1 ILE 64 5.383 8.357 -3.728 516 HD13 ILE 64 2HD1 ILE 64 3.842 8.810 -3.001 517 H SER 65 H SER 65 -0.235 4.696 -4.628 518 HA SER 65 HA SER 65 -2.249 5.227 -6.488 519 HB2 SER 65 2HB SER 65 -2.280 3.235 -5.076 520 HB3 SER 65 1HB SER 65 -2.527 4.231 -3.641 521 HG SER 65 HG SER 65 -4.543 3.734 -4.110 522 H LEU 66 H LEU 66 -1.640 6.721 -3.344 523 HA LEU 66 HA LEU 66 -4.008 8.346 -3.410 524 HB2 LEU 66 2HB LEU 66 -1.537 8.574 -1.686 525 HB3 LEU 66 1HB LEU 66 -3.061 9.400 -1.407 526 HG LEU 66 HG LEU 66 -2.647 6.400 -1.316 527 HD11 LEU 66 1HD1 LEU 66 -3.165 8.337 0.939 528 HD12 LEU 66 2HD1 LEU 66 -1.613 7.582 0.575 529 HD13 LEU 66 3HD1 LEU 66 -2.982 6.588 1.072 530 HD21 LEU 66 3HD2 LEU 66 -4.939 6.318 -0.437 531 HD22 LEU 66 1HD2 LEU 66 -4.889 6.957 -2.080 532 HD23 LEU 66 2HD2 LEU 66 -5.105 8.052 -0.715 533 H LYS 67 H LYS 67 -3.920 10.736 -3.332 534 HA LYS 67 HA LYS 67 -1.817 11.854 -5.072 535 HB2 LYS 67 2HB LYS 67 -3.630 13.156 -6.239 536 HB3 LYS 67 1HB LYS 67 -3.640 11.424 -6.544 537 HG2 LYS 67 2HG LYS 67 -5.443 11.176 -4.853 538 HG3 LYS 67 1HG LYS 67 -5.474 12.931 -4.676 539 HD2 LYS 67 2HD LYS 67 -5.983 11.449 -7.266 540 HD3 LYS 67 1HD LYS 67 -7.245 12.055 -6.193 541 HE2 LYS 67 2HE LYS 67 -5.137 13.774 -7.511 542 HE3 LYS 67 1HE LYS 67 -6.773 13.547 -8.126 543 HZ1 LYS 67 3HZ LYS 67 -7.649 14.531 -6.124 544 HZ2 LYS 67 1HZ LYS 67 -6.541 15.588 -6.838 545 HZ3 LYS 67 2HZ LYS 67 -6.099 14.693 -5.472 546 H GLY 68 H GLY 68 -1.587 14.184 -4.987 547 HA2 GLY 68 2HA GLY 68 -1.484 16.228 -3.932 548 HA3 GLY 68 1HA GLY 68 -3.009 15.827 -3.159 549 H ARG 69 H ARG 69 -2.755 16.236 -1.044 550 HA ARG 69 HA ARG 69 -0.494 16.313 0.523 551 HB2 ARG 69 2HB ARG 69 -2.997 15.086 1.654 552 HB3 ARG 69 1HB ARG 69 -1.870 16.190 2.422 553 HG2 ARG 69 2HG ARG 69 -2.793 18.057 1.350 554 HG3 ARG 69 1HG ARG 69 -3.615 17.063 0.139 555 HD2 ARG 69 2HD ARG 69 -4.279 17.348 3.071 556 HD3 ARG 69 1HD ARG 69 -5.292 17.752 1.682 557 HE ARG 69 HE ARG 69 -5.080 15.200 1.241 558 HH11 ARG 69 1HH1 ARG 69 -5.372 16.684 4.332 559 HH12 ARG 69 2HH1 ARG 69 -6.125 15.299 5.042 560 HH21 ARG 69 1HH2 ARG 69 -5.960 13.403 2.178 561 HH22 ARG 69 2HH2 ARG 69 -6.474 13.468 3.830 562 H ASP 70 H ASP 70 -2.616 13.543 -0.021 563 HA ASP 70 HA ASP 70 -1.250 11.803 1.767 564 HB2 ASP 70 2HB ASP 70 -3.250 11.122 -0.402 565 HB3 ASP 70 1HB ASP 70 -2.816 10.118 0.982 566 H LEU 71 H LEU 71 -0.747 12.625 -1.544 567 HA LEU 71 HA LEU 71 0.684 10.310 -2.362 568 HB2 LEU 71 2HB LEU 71 -0.220 12.089 -3.884 569 HB3 LEU 71 1HB LEU 71 1.037 13.167 -3.314 570 HG LEU 71 HG LEU 71 1.755 10.542 -4.613 571 HD11 LEU 71 1HD1 LEU 71 1.207 13.142 -6.050 572 HD12 LEU 71 2HD1 LEU 71 0.233 11.675 -6.156 573 HD13 LEU 71 3HD1 LEU 71 1.888 11.681 -6.768 574 HD21 LEU 71 3HD2 LEU 71 3.799 11.770 -5.228 575 HD22 LEU 71 1HD2 LEU 71 3.550 11.748 -3.482 576 HD23 LEU 71 2HD2 LEU 71 3.178 13.203 -4.406 577 H ASP 72 H ASP 72 1.792 13.477 -1.132 578 HA ASP 72 HA ASP 72 4.497 12.801 -0.790 579 HB2 ASP 72 2HB ASP 72 2.738 14.828 0.597 580 HB3 ASP 72 1HB ASP 72 4.466 14.694 0.912 581 H ARG 73 H ARG 73 1.720 12.380 1.382 582 HA ARG 73 HA ARG 73 3.044 11.486 3.668 583 HB2 ARG 73 2HB ARG 73 0.338 10.833 2.524 584 HB3 ARG 73 1HB ARG 73 0.906 10.035 3.984 585 HG2 ARG 73 2HG ARG 73 1.183 12.224 5.064 586 HG3 ARG 73 1HG ARG 73 0.560 13.005 3.607 587 HD2 ARG 73 2HD ARG 73 -1.582 11.968 3.882 588 HD3 ARG 73 1HD ARG 73 -0.978 10.942 5.185 589 HE ARG 73 HE ARG 73 -0.621 13.154 6.396 590 HH11 ARG 73 1HH1 ARG 73 -3.180 12.614 4.128 591 HH12 ARG 73 2HH1 ARG 73 -4.203 13.790 4.867 592 HH21 ARG 73 1HH2 ARG 73 -1.967 14.635 7.321 593 HH22 ARG 73 2HH2 ARG 73 -3.525 14.936 6.639 594 H GLN 74 H GLN 74 1.603 9.347 1.171 595 HA GLN 74 HA GLN 74 2.793 6.985 2.102 596 HB2 GLN 74 2HB GLN 74 0.885 7.054 0.528 597 HB3 GLN 74 1HB GLN 74 1.956 7.642 -0.736 598 HG2 GLN 74 2HG GLN 74 3.120 5.584 -0.848 599 HG3 GLN 74 1HG GLN 74 2.409 5.018 0.662 600 HE21 GLN 74 1HE2 GLN 74 1.634 3.142 -0.287 601 HE22 GLN 74 2HE2 GLN 74 0.276 3.141 -1.351 602 H LYS 75 H LYS 75 3.969 9.381 -0.213 603 HA LYS 75 HA LYS 75 6.284 8.194 -1.155 604 HB2 LYS 75 2HB LYS 75 5.576 10.333 -1.986 605 HB3 LYS 75 1HB LYS 75 5.714 11.064 -0.395 606 HG2 LYS 75 2HG LYS 75 8.195 10.630 -0.527 607 HG3 LYS 75 1HG LYS 75 7.944 10.181 -2.217 608 HD2 LYS 75 2HD LYS 75 7.056 12.391 -2.704 609 HD3 LYS 75 1HD LYS 75 7.173 12.843 -1.003 610 HE2 LYS 75 2HE LYS 75 9.636 12.527 -1.144 611 HE3 LYS 75 1HE LYS 75 9.464 12.213 -2.872 612 HZ1 LYS 75 3HZ LYS 75 8.749 14.732 -1.467 613 HZ2 LYS 75 1HZ LYS 75 8.502 14.439 -3.111 614 HZ3 LYS 75 2HZ LYS 75 10.072 14.501 -2.492 615 H GLN 76 H GLN 76 6.195 10.433 1.636 616 HA GLN 76 HA GLN 76 8.852 9.937 2.432 617 HB2 GLN 76 2HB GLN 76 6.537 11.108 3.979 618 HB3 GLN 76 1HB GLN 76 8.208 11.132 4.528 619 HG2 GLN 76 2HG GLN 76 8.838 12.445 2.567 620 HG3 GLN 76 1HG GLN 76 7.165 12.421 2.012 621 HE21 GLN 76 1HE2 GLN 76 8.954 14.646 2.777 622 HE22 GLN 76 2HE2 GLN 76 8.090 15.529 3.984 623 H LYS 77 H LYS 77 5.833 8.409 3.382 624 HA LYS 77 HA LYS 77 6.782 6.904 5.557 625 HB2 LYS 77 2HB LYS 77 4.621 6.362 3.518 626 HB3 LYS 77 1HB LYS 77 4.942 5.271 4.858 627 HG2 LYS 77 2HG LYS 77 4.195 8.177 5.161 628 HG3 LYS 77 1HG LYS 77 3.061 6.828 5.268 629 HD2 LYS 77 2HD LYS 77 4.308 5.923 7.174 630 HD3 LYS 77 1HD LYS 77 5.465 7.251 7.055 631 HE2 LYS 77 2HE LYS 77 3.655 8.852 7.517 632 HE3 LYS 77 1HE LYS 77 2.517 7.511 7.666 633 HZ1 LYS 77 3HZ LYS 77 4.930 7.834 9.359 634 HZ2 LYS 77 1HZ LYS 77 3.689 6.705 9.563 635 HZ3 LYS 77 2HZ LYS 77 3.386 8.350 9.811 636 H LEU 78 H LEU 78 6.716 6.138 2.075 637 HA LEU 78 HA LEU 78 8.073 3.641 2.372 638 HB2 LEU 78 2HB LEU 78 7.711 5.383 -0.070 639 HB3 LEU 78 1HB LEU 78 8.305 3.732 -0.087 640 HG LEU 78 HG LEU 78 5.540 4.620 0.752 641 HD11 LEU 78 1HD1 LEU 78 6.487 3.052 -1.640 642 HD12 LEU 78 2HD1 LEU 78 5.846 4.696 -1.646 643 HD13 LEU 78 3HD1 LEU 78 4.803 3.344 -1.207 644 HD21 LEU 78 3HD2 LEU 78 6.732 1.846 0.668 645 HD22 LEU 78 1HD2 LEU 78 5.034 2.227 0.961 646 HD23 LEU 78 2HD2 LEU 78 6.263 2.742 2.115 647 H GLU 79 H GLU 79 9.162 6.960 1.896 648 HA GLU 79 HA GLU 79 11.890 6.351 1.379 649 HB2 GLU 79 2HB GLU 79 10.726 8.794 2.746 650 HB3 GLU 79 1HB GLU 79 12.359 8.663 2.103 651 HG2 GLU 79 2HG GLU 79 11.359 8.281 -0.155 652 HG3 GLU 79 1HG GLU 79 9.781 8.631 0.547 653 H ALA 80 H ALA 80 9.979 6.505 4.310 654 HA ALA 80 HA ALA 80 12.164 6.166 6.133 655 HB1 ALA 80 3HB ALA 80 9.963 7.049 6.828 656 HB2 ALA 80 1HB ALA 80 10.467 5.663 7.795 657 HB3 ALA 80 2HB ALA 80 9.251 5.463 6.534 658 H GLU 81 H GLU 81 10.319 4.038 4.110 659 HA GLU 81 HA GLU 81 11.233 1.591 5.348 660 HB2 GLU 81 2HB GLU 81 9.947 2.069 2.645 661 HB3 GLU 81 1HB GLU 81 10.206 0.498 3.388 662 HG2 GLU 81 2HG GLU 81 8.479 2.669 4.557 663 HG3 GLU 81 1HG GLU 81 7.884 1.340 3.565 664 H GLY 82 H GLY 82 12.361 3.774 2.890 665 HA2 GLY 82 2HA GLY 82 14.621 3.820 2.136 666 HA3 GLY 82 1HA GLY 82 14.746 2.100 2.473 667 H ILE 83 H ILE 83 12.198 3.732 0.632 668 HA ILE 83 HA ILE 83 12.834 1.991 -1.662 669 HB ILE 83 HB ILE 83 10.248 3.373 -0.903 670 HG12 ILE 83 2HG1 ILE 83 11.061 0.451 -0.854 671 HG13 ILE 83 1HG1 ILE 83 10.786 1.478 0.548 672 HG21 ILE 83 1HG2 ILE 83 10.816 1.529 -3.224 673 HG22 ILE 83 2HG2 ILE 83 10.435 3.247 -3.322 674 HG23 ILE 83 3HG2 ILE 83 9.220 2.108 -2.744 675 HD11 ILE 83 3HD1 ILE 83 8.704 0.645 -1.462 676 HD12 ILE 83 1HD1 ILE 83 8.431 1.666 -0.049 677 HD13 ILE 83 2HD1 ILE 83 8.918 -0.015 0.160 678 H GLU 84 H GLU 84 13.359 2.826 -3.645 679 HA GLU 84 HA GLU 84 13.764 5.606 -4.066 680 HB2 GLU 84 2HB GLU 84 13.762 3.217 -5.894 681 HB3 GLU 84 1HB GLU 84 13.813 4.835 -6.575 682 HG2 GLU 84 2HG GLU 84 16.043 4.196 -6.481 683 HG3 GLU 84 1HG GLU 84 15.840 5.225 -5.067 684 H VAL 85 H VAL 85 11.851 6.738 -3.657 685 HA VAL 85 HA VAL 85 9.508 6.241 -5.314 686 HB VAL 85 HB VAL 85 10.049 8.514 -3.378 687 HG11 VAL 85 1HG1 VAL 85 7.472 7.617 -4.686 688 HG12 VAL 85 2HG1 VAL 85 8.361 9.098 -5.044 689 HG13 VAL 85 3HG1 VAL 85 7.616 8.879 -3.460 690 HG21 VAL 85 3HG2 VAL 85 8.483 5.956 -2.978 691 HG22 VAL 85 1HG2 VAL 85 8.611 7.280 -1.817 692 HG23 VAL 85 2HG2 VAL 85 10.041 6.343 -2.247 693 H SER 86 H SER 86 9.691 6.820 -7.402 694 HA SER 86 HA SER 86 11.531 8.739 -8.378 695 HB2 SER 86 2HB SER 86 10.657 6.859 -9.749 696 HB3 SER 86 1HB SER 86 9.086 7.656 -9.800 697 HG SER 86 HG SER 86 10.024 8.372 -11.610 698 H GLU 87 H GLU 87 11.138 10.743 -9.404 699 HA GLU 87 HA GLU 87 10.337 12.647 -7.727 700 HB2 GLU 87 2HB GLU 87 10.251 14.217 -9.633 701 HB3 GLU 87 1HB GLU 87 11.632 13.132 -9.691 702 HG2 GLU 87 2HG GLU 87 10.497 11.755 -11.358 703 HG3 GLU 87 1HG GLU 87 9.092 12.817 -11.288 704 H ILE 88 H ILE 88 8.093 11.608 -10.358 705 HA ILE 88 HA ILE 88 6.080 13.422 -9.295 706 HB ILE 88 HB ILE 88 4.721 12.718 -11.289 707 HG12 ILE 88 2HG1 ILE 88 6.197 11.665 -13.159 708 HG13 ILE 88 1HG1 ILE 88 7.204 11.083 -11.840 709 HG21 ILE 88 1HG2 ILE 88 7.474 13.833 -11.838 710 HG22 ILE 88 2HG2 ILE 88 6.069 14.745 -11.283 711 HG23 ILE 88 3HG2 ILE 88 6.061 14.003 -12.883 712 HD11 ILE 88 3HD1 ILE 88 4.279 10.468 -12.211 713 HD12 ILE 88 1HD1 ILE 88 5.328 9.833 -10.944 714 HD13 ILE 88 2HD1 ILE 88 5.620 9.402 -12.627 715 H GLY 89 H GLY 89 6.913 10.597 -8.179 716 HA2 GLY 89 2HA GLY 89 5.652 9.446 -6.541 717 HA3 GLY 89 1HA GLY 89 4.179 9.927 -7.358 718 H LYS 90 H LYS 90 7.087 8.208 -8.557 719 HA LYS 90 HA LYS 90 5.316 5.931 -9.251 720 HB2 LYS 90 2HB LYS 90 7.680 7.071 -10.713 721 HB3 LYS 90 1HB LYS 90 7.240 5.383 -10.933 722 HG2 LYS 90 2HG LYS 90 5.009 6.064 -11.679 723 HG3 LYS 90 1HG LYS 90 5.457 7.758 -11.460 724 HD2 LYS 90 2HD LYS 90 7.206 7.532 -13.145 725 HD3 LYS 90 1HD LYS 90 6.821 5.820 -13.340 726 HE2 LYS 90 2HE LYS 90 4.595 6.398 -14.157 727 HE3 LYS 90 1HE LYS 90 4.928 8.110 -13.905 728 HZ1 LYS 90 3HZ LYS 90 6.368 6.333 -15.795 729 HZ2 LYS 90 1HZ LYS 90 6.685 7.977 -15.553 730 HZ3 LYS 90 2HZ LYS 90 5.210 7.485 -16.214 731 H ILE 91 H ILE 91 6.023 3.830 -8.913 732 HA ILE 91 HA ILE 91 8.376 3.491 -7.160 733 HB ILE 91 HB ILE 91 5.674 2.183 -6.729 734 HG12 ILE 91 2HG1 ILE 91 7.008 4.330 -5.049 735 HG13 ILE 91 1HG1 ILE 91 5.725 4.646 -6.212 736 HG21 ILE 91 1HG2 ILE 91 6.653 1.390 -4.613 737 HG22 ILE 91 2HG2 ILE 91 8.200 2.110 -5.064 738 HG23 ILE 91 3HG2 ILE 91 7.535 0.779 -6.012 739 HD11 ILE 91 3HD1 ILE 91 5.489 2.905 -3.769 740 HD12 ILE 91 1HD1 ILE 91 4.206 3.242 -4.931 741 HD13 ILE 91 2HD1 ILE 91 4.867 4.547 -3.945 742 H ALA 92 H ALA 92 9.570 1.654 -7.510 743 HA ALA 92 HA ALA 92 8.968 0.106 -9.891 744 HB1 ALA 92 3HB ALA 92 11.200 -0.828 -9.620 745 HB2 ALA 92 1HB ALA 92 11.350 -0.056 -8.040 746 HB3 ALA 92 2HB ALA 92 11.249 0.931 -9.500 747 H LEU 93 H LEU 93 7.223 -1.234 -9.331 748 HA LEU 93 HA LEU 93 6.941 -2.805 -7.068 749 HB2 LEU 93 2HB LEU 93 6.045 -3.253 -9.909 750 HB3 LEU 93 1HB LEU 93 5.639 -4.379 -8.626 751 HG LEU 93 HG LEU 93 4.872 -1.449 -8.656 752 HD11 LEU 93 1HD1 LEU 93 3.205 -3.906 -9.213 753 HD12 LEU 93 2HD1 LEU 93 3.677 -2.674 -10.385 754 HD13 LEU 93 3HD1 LEU 93 2.593 -2.259 -9.058 755 HD21 LEU 93 3HD2 LEU 93 5.141 -2.324 -6.399 756 HD22 LEU 93 1HD2 LEU 93 4.097 -3.693 -6.785 757 HD23 LEU 93 2HD2 LEU 93 3.436 -2.057 -6.759 758 H ARG 94 H ARG 94 8.332 -3.917 -10.179 759 HA ARG 94 HA ARG 94 9.115 -6.444 -9.520 760 HB2 ARG 94 2HB ARG 94 9.393 -5.565 -11.749 761 HB3 ARG 94 1HB ARG 94 10.600 -4.411 -11.194 762 HG2 ARG 94 2HG ARG 94 12.099 -6.291 -10.628 763 HG3 ARG 94 1HG ARG 94 10.895 -7.415 -11.266 764 HD2 ARG 94 2HD ARG 94 12.690 -6.911 -12.889 765 HD3 ARG 94 1HD ARG 94 11.093 -6.436 -13.469 766 HE ARG 94 HE ARG 94 12.632 -4.345 -12.173 767 HH11 ARG 94 1HH1 ARG 94 11.819 -5.866 -15.157 768 HH12 ARG 94 2HH1 ARG 94 12.172 -4.452 -16.089 769 HH21 ARG 94 1HH2 ARG 94 13.080 -2.555 -13.378 770 HH22 ARG 94 2HH2 ARG 94 12.888 -2.608 -15.096 771 H LYS 95 H LYS 95 10.625 -3.482 -8.412 772 HA LYS 95 HA LYS 95 12.984 -4.878 -7.414 773 HB2 LYS 95 2HB LYS 95 13.194 -2.689 -8.546 774 HB3 LYS 95 1HB LYS 95 12.239 -1.945 -7.274 775 HG2 LYS 95 2HG LYS 95 13.965 -2.422 -5.642 776 HG3 LYS 95 1HG LYS 95 14.904 -3.301 -6.852 777 HD2 LYS 95 2HD LYS 95 15.107 -1.219 -8.172 778 HD3 LYS 95 1HD LYS 95 14.219 -0.354 -6.917 779 HE2 LYS 95 2HE LYS 95 16.822 -1.810 -6.456 780 HE3 LYS 95 1HE LYS 95 16.705 -0.089 -6.808 781 HZ1 LYS 95 3HZ LYS 95 15.450 0.236 -4.803 782 HZ2 LYS 95 1HZ LYS 95 16.891 -0.563 -4.429 783 HZ3 LYS 95 2HZ LYS 95 15.442 -1.428 -4.479 784 H TYR 96 H TYR 96 9.953 -3.660 -6.180 785 HA TYR 96 HA TYR 96 10.850 -4.252 -3.415 786 HB2 TYR 96 2HB TYR 96 9.003 -2.017 -4.298 787 HB3 TYR 96 1HB TYR 96 9.357 -2.436 -2.625 788 HD1 TYR 96 HD1 TYR 96 11.617 -2.047 -1.699 789 HD2 TYR 96 HD2 TYR 96 10.561 -0.736 -5.613 790 HE1 TYR 96 HE1 TYR 96 13.553 -0.536 -1.708 791 HE2 TYR 96 HE2 TYR 96 12.496 0.777 -5.628 792 HH TYR 96 HH TYR 96 14.866 0.769 -3.021 793 H LYS 97 H LYS 97 9.058 -5.681 -5.604 794 HA LYS 97 HA LYS 97 6.419 -5.662 -4.619 795 HB2 LYS 97 2HB LYS 97 7.178 -6.406 -6.905 796 HB3 LYS 97 1HB LYS 97 7.734 -7.900 -6.163 797 HG2 LYS 97 2HG LYS 97 5.452 -8.387 -5.430 798 HG3 LYS 97 1HG LYS 97 4.896 -6.885 -6.174 799 HD2 LYS 97 2HD LYS 97 5.593 -7.698 -8.366 800 HD3 LYS 97 1HD LYS 97 6.201 -9.183 -7.631 801 HE2 LYS 97 2HE LYS 97 3.327 -8.237 -7.713 802 HE3 LYS 97 1HE LYS 97 4.013 -9.587 -8.615 803 HZ1 LYS 97 3HZ LYS 97 3.967 -9.479 -5.653 804 HZ2 LYS 97 1HZ LYS 97 4.305 -10.817 -6.631 805 HZ3 LYS 97 2HZ LYS 97 2.735 -10.187 -6.563 806 H TRP 98 H TRP 98 5.483 -6.655 -2.974 807 HA TRP 98 HA TRP 98 6.954 -7.831 -0.914 808 HB2 TRP 98 2HB TRP 98 4.881 -6.695 -0.456 809 HB3 TRP 98 1HB TRP 98 3.978 -7.835 -1.446 810 HD1 TRP 98 HD1 TRP 98 6.546 -8.845 1.262 811 HE1 TRP 98 HE1 TRP 98 5.319 -10.202 3.068 812 HE3 TRP 98 HE3 TRP 98 1.756 -8.368 -0.474 813 HZ2 TRP 98 HZ2 TRP 98 2.679 -10.972 3.680 814 HZ3 TRP 98 HZ3 TRP 98 -0.065 -9.453 0.779 815 HH2 TRP 98 HH2 TRP 98 0.391 -10.730 2.819 816 H GLN 99 H GLN 99 7.955 -9.732 -0.972 817 HA GLN 99 HA GLN 99 6.533 -12.095 -2.026 818 HB2 GLN 99 2HB GLN 99 9.471 -11.702 -1.386 819 HB3 GLN 99 1HB GLN 99 8.762 -13.210 -1.946 820 HG2 GLN 99 2HG GLN 99 8.155 -12.188 -4.054 821 HG3 GLN 99 1HG GLN 99 8.749 -10.624 -3.494 822 HE21 GLN 99 1HE2 GLN 99 9.573 -12.274 -5.784 823 HE22 GLN 99 2HE2 GLN 99 11.265 -12.538 -5.586 824 HA PRO 100 HA PRO 100 5.935 -12.574 2.533 825 HB2 PRO 100 2HB PRO 100 3.932 -14.451 2.229 826 HB3 PRO 100 1HB PRO 100 3.665 -12.706 2.280 827 HG2 PRO 100 2HG PRO 100 3.888 -14.518 -0.097 828 HG3 PRO 100 1HG PRO 100 2.742 -13.194 0.197 829 HD2 PRO 100 2HD PRO 100 4.868 -12.854 -1.402 830 HD3 PRO 100 1HD PRO 100 4.315 -11.553 -0.327 831 H LEU 101 H LEU 101 6.293 -15.079 0.042 832 HA LEU 101 HA LEU 101 7.627 -16.802 2.041 833 HB2 LEU 101 2HB LEU 101 5.819 -17.705 -0.210 834 HB3 LEU 101 1HB LEU 101 6.723 -18.773 0.850 835 HG LEU 101 HG LEU 101 4.538 -16.880 1.752 836 HD11 LEU 101 1HD1 LEU 101 3.170 -18.856 2.060 837 HD12 LEU 101 2HD1 LEU 101 4.466 -19.882 1.445 838 HD13 LEU 101 3HD1 LEU 101 3.675 -18.720 0.377 839 HD21 LEU 101 3HD2 LEU 101 6.215 -17.283 3.480 840 HD22 LEU 101 1HD2 LEU 101 6.034 -19.024 3.267 841 HD23 LEU 101 2HD2 LEU 101 4.690 -18.065 3.887 842 H GLU 102 H GLU 102 7.170 -17.029 -1.495 843 HA GLU 102 HA GLU 102 10.104 -16.949 -1.818 844 HB2 GLU 102 2HB GLU 102 9.914 -18.680 -3.583 845 HB3 GLU 102 1HB GLU 102 9.451 -19.266 -1.992 846 HG2 GLU 102 2HG GLU 102 7.125 -19.171 -2.556 847 HG3 GLU 102 1HG GLU 102 7.478 -18.362 -4.082 Start of MODEL 9 1 H1 MET 1 1H MET 1 -17.503 -2.699 13.130 2 H2 MET 1 2H MET 1 -16.288 -2.125 14.156 3 H3 MET 1 3H MET 1 -16.551 -3.791 14.005 4 HA MET 1 HA MET 1 -15.609 -1.981 11.856 5 HB2 MET 1 2HB MET 1 -13.939 -2.405 13.648 6 HB3 MET 1 1HB MET 1 -14.114 -4.134 13.376 7 HG2 MET 1 2HG MET 1 -13.249 -3.877 11.113 8 HG3 MET 1 1HG MET 1 -13.110 -2.135 11.354 9 HE1 MET 1 3HE MET 1 -10.697 -3.894 10.340 10 HE2 MET 1 1HE MET 1 -9.371 -3.281 11.327 11 HE3 MET 1 2HE MET 1 -10.553 -2.163 10.648 12 H ASP 2 H ASP 2 -16.072 -2.714 9.877 13 HA ASP 2 HA ASP 2 -17.562 -5.070 9.462 14 HB2 ASP 2 2HB ASP 2 -17.694 -3.008 8.076 15 HB3 ASP 2 1HB ASP 2 -16.124 -3.403 7.385 16 H GLN 3 H GLN 3 -17.093 -7.056 8.603 17 HA GLN 3 HA GLN 3 -14.675 -8.303 9.092 18 HB2 GLN 3 2HB GLN 3 -16.966 -9.009 7.272 19 HB3 GLN 3 1HB GLN 3 -15.553 -10.047 7.380 20 HG2 GLN 3 2HG GLN 3 -17.234 -9.249 9.749 21 HG3 GLN 3 1HG GLN 3 -17.474 -10.726 8.817 22 HE21 GLN 3 1HE2 GLN 3 -15.453 -9.096 11.120 23 HE22 GLN 3 2HE2 GLN 3 -14.489 -10.465 11.539 24 H PHE 4 H PHE 4 -15.760 -6.820 6.041 25 HA PHE 4 HA PHE 4 -13.669 -7.692 4.387 26 HB2 PHE 4 2HB PHE 4 -15.569 -6.620 3.392 27 HB3 PHE 4 1HB PHE 4 -15.320 -5.155 4.334 28 HD1 PHE 4 HD1 PHE 4 -13.829 -7.235 1.641 29 HD2 PHE 4 HD2 PHE 4 -14.002 -3.405 3.500 30 HE1 PHE 4 HE1 PHE 4 -12.493 -6.285 -0.193 31 HE2 PHE 4 HE2 PHE 4 -12.670 -2.454 1.670 32 HZ PHE 4 HZ PHE 4 -11.912 -3.893 -0.181 33 H LEU 5 H LEU 5 -13.909 -4.754 6.370 34 HA LEU 5 HA LEU 5 -11.383 -3.682 5.763 35 HB2 LEU 5 2HB LEU 5 -12.960 -3.397 8.327 36 HB3 LEU 5 1HB LEU 5 -11.663 -2.342 7.792 37 HG LEU 5 HG LEU 5 -14.341 -2.677 6.420 38 HD11 LEU 5 1HD1 LEU 5 -14.481 -1.464 8.537 39 HD12 LEU 5 2HD1 LEU 5 -14.786 -0.412 7.156 40 HD13 LEU 5 3HD1 LEU 5 -13.229 -0.352 7.983 41 HD21 LEU 5 3HD2 LEU 5 -13.605 -0.791 5.012 42 HD22 LEU 5 1HD2 LEU 5 -12.598 -2.222 4.793 43 HD23 LEU 5 2HD2 LEU 5 -12.010 -0.869 5.760 44 H VAL 6 H VAL 6 -12.417 -5.808 8.424 45 HA VAL 6 HA VAL 6 -10.021 -5.937 9.846 46 HB VAL 6 HB VAL 6 -12.083 -8.133 9.513 47 HG11 VAL 6 1HG1 VAL 6 -11.241 -8.962 11.677 48 HG12 VAL 6 2HG1 VAL 6 -9.971 -7.739 11.639 49 HG13 VAL 6 3HG1 VAL 6 -10.006 -9.013 10.419 50 HG21 VAL 6 3HG2 VAL 6 -13.069 -7.280 11.578 51 HG22 VAL 6 1HG2 VAL 6 -13.052 -6.026 10.338 52 HG23 VAL 6 2HG2 VAL 6 -11.863 -5.994 11.641 53 H GLN 7 H GLN 7 -11.179 -8.132 7.278 54 HA GLN 7 HA GLN 7 -8.950 -9.856 7.361 55 HB2 GLN 7 2HB GLN 7 -11.003 -9.374 5.200 56 HB3 GLN 7 1HB GLN 7 -9.784 -10.640 5.114 57 HG2 GLN 7 2HG GLN 7 -11.849 -10.379 7.298 58 HG3 GLN 7 1HG GLN 7 -11.969 -11.457 5.908 59 HE21 GLN 7 1HE2 GLN 7 -10.310 -10.832 8.906 60 HE22 GLN 7 2HE2 GLN 7 -9.582 -12.390 9.056 61 H ILE 8 H ILE 8 -9.655 -7.177 5.065 62 HA ILE 8 HA ILE 8 -7.344 -7.562 3.502 63 HB ILE 8 HB ILE 8 -7.646 -5.264 2.682 64 HG12 ILE 8 2HG1 ILE 8 -9.849 -5.063 4.760 65 HG13 ILE 8 1HG1 ILE 8 -8.314 -4.205 4.821 66 HG21 ILE 8 1HG2 ILE 8 -10.223 -6.826 2.928 67 HG22 ILE 8 2HG2 ILE 8 -8.969 -7.064 1.711 68 HG23 ILE 8 3HG2 ILE 8 -9.895 -5.564 1.739 69 HD11 ILE 8 3HD1 ILE 8 -10.091 -2.756 4.055 70 HD12 ILE 8 1HD1 ILE 8 -10.451 -3.862 2.730 71 HD13 ILE 8 2HD1 ILE 8 -8.907 -3.011 2.774 72 H PHE 9 H PHE 9 -7.858 -5.528 6.378 73 HA PHE 9 HA PHE 9 -5.271 -4.370 6.404 74 HB2 PHE 9 2HB PHE 9 -7.226 -4.834 8.671 75 HB3 PHE 9 1HB PHE 9 -5.768 -3.858 8.801 76 HD1 PHE 9 HD1 PHE 9 -6.440 -2.968 5.688 77 HD2 PHE 9 HD2 PHE 9 -8.353 -2.725 9.490 78 HE1 PHE 9 HE1 PHE 9 -7.692 -0.990 4.934 79 HE2 PHE 9 HE2 PHE 9 -9.603 -0.746 8.735 80 HZ PHE 9 HZ PHE 9 -9.276 0.123 6.454 81 H ALA 10 H ALA 10 -6.599 -7.278 7.950 82 HA ALA 10 HA ALA 10 -4.390 -8.060 9.453 83 HB1 ALA 10 3HB ALA 10 -6.590 -9.136 9.594 84 HB2 ALA 10 1HB ALA 10 -5.304 -10.320 9.356 85 HB3 ALA 10 2HB ALA 10 -6.339 -9.857 8.004 86 H VAL 11 H VAL 11 -5.053 -8.575 6.004 87 HA VAL 11 HA VAL 11 -2.810 -10.244 5.484 88 HB VAL 11 HB VAL 11 -4.298 -8.404 3.590 89 HG11 VAL 11 1HG1 VAL 11 -2.432 -10.705 2.987 90 HG12 VAL 11 2HG1 VAL 11 -2.101 -8.997 2.704 91 HG13 VAL 11 3HG1 VAL 11 -3.377 -9.810 1.797 92 HG21 VAL 11 3HG2 VAL 11 -5.759 -10.071 4.620 93 HG22 VAL 11 1HG2 VAL 11 -4.650 -11.357 4.141 94 HG23 VAL 11 2HG2 VAL 11 -5.508 -10.427 2.912 95 H ILE 12 H ILE 12 -3.291 -6.737 5.321 96 HA ILE 12 HA ILE 12 -0.788 -6.040 4.247 97 HB ILE 12 HB ILE 12 -2.555 -4.422 6.090 98 HG12 ILE 12 2HG1 ILE 12 -2.414 -4.399 3.062 99 HG13 ILE 12 1HG1 ILE 12 -3.637 -5.267 3.985 100 HG21 ILE 12 1HG2 ILE 12 -0.310 -3.490 5.979 101 HG22 ILE 12 2HG2 ILE 12 -1.436 -2.462 5.095 102 HG23 ILE 12 3HG2 ILE 12 -0.351 -3.541 4.217 103 HD11 ILE 12 3HD1 ILE 12 -3.196 -2.289 4.019 104 HD12 ILE 12 1HD1 ILE 12 -4.434 -3.166 4.920 105 HD13 ILE 12 2HD1 ILE 12 -4.476 -3.143 3.157 106 H HIS 13 H HIS 13 -1.807 -6.504 7.633 107 HA HIS 13 HA HIS 13 0.542 -5.710 8.921 108 HB2 HIS 13 2HB HIS 13 -1.494 -7.828 9.611 109 HB3 HIS 13 1HB HIS 13 -0.118 -7.498 10.657 110 HD2 HIS 13 HD2 HIS 13 -3.656 -6.327 10.151 111 HE1 HIS 13 HE1 HIS 13 -1.667 -3.288 12.327 112 HE2 HIS 13 HE2 HIS 13 -3.918 -4.293 11.735 113 H GLN 14 H GLN 14 0.025 -8.425 6.866 114 HA GLN 14 HA GLN 14 2.254 -9.964 7.927 115 HB2 GLN 14 2HB GLN 14 -0.040 -10.496 6.208 116 HB3 GLN 14 1HB GLN 14 1.435 -11.177 5.540 117 HG2 GLN 14 2HG GLN 14 0.227 -12.775 6.947 118 HG3 GLN 14 1HG GLN 14 1.836 -12.424 7.568 119 HE21 GLN 14 1HE2 GLN 14 -0.960 -10.314 7.953 120 HE22 GLN 14 2HE2 GLN 14 -1.086 -10.510 9.662 121 H ILE 15 H ILE 15 2.040 -7.368 5.840 122 HA ILE 15 HA ILE 15 4.028 -8.150 3.911 123 HB ILE 15 HB ILE 15 3.135 -5.347 4.651 124 HG12 ILE 15 2HG1 ILE 15 2.147 -7.147 2.419 125 HG13 ILE 15 1HG1 ILE 15 1.258 -6.795 3.898 126 HG21 ILE 15 1HG2 ILE 15 3.980 -4.738 2.414 127 HG22 ILE 15 2HG2 ILE 15 4.579 -6.384 2.206 128 HG23 ILE 15 3HG2 ILE 15 5.258 -5.352 3.464 129 HD11 ILE 15 3HD1 ILE 15 0.439 -5.456 2.061 130 HD12 ILE 15 1HD1 ILE 15 2.051 -4.795 1.790 131 HD13 ILE 15 2HD1 ILE 15 1.185 -4.428 3.284 132 HA PRO 16 HA PRO 16 7.495 -7.492 6.743 133 HB2 PRO 16 2HB PRO 16 9.475 -7.944 4.919 134 HB3 PRO 16 1HB PRO 16 8.557 -9.243 5.690 135 HG2 PRO 16 2HG PRO 16 8.174 -8.000 2.988 136 HG3 PRO 16 1HG PRO 16 8.150 -9.716 3.443 137 HD2 PRO 16 2HD PRO 16 5.878 -8.305 3.064 138 HD3 PRO 16 1HD PRO 16 5.991 -9.593 4.279 139 H LYS 17 H LYS 17 9.513 -6.115 6.719 140 HA LYS 17 HA LYS 17 8.777 -3.452 6.092 141 HB2 LYS 17 2HB LYS 17 10.166 -3.995 8.030 142 HB3 LYS 17 1HB LYS 17 11.454 -4.555 6.968 143 HG2 LYS 17 2HG LYS 17 11.730 -2.319 6.072 144 HG3 LYS 17 1HG LYS 17 10.379 -1.741 7.048 145 HD2 LYS 17 2HD LYS 17 11.629 -2.298 9.083 146 HD3 LYS 17 1HD LYS 17 12.991 -2.834 8.092 147 HE2 LYS 17 2HE LYS 17 13.462 -0.600 8.810 148 HE3 LYS 17 1HE LYS 17 13.055 -0.529 7.095 149 HZ1 LYS 17 3HZ LYS 17 11.275 0.175 9.363 150 HZ2 LYS 17 1HZ LYS 17 10.790 0.125 7.743 151 HZ3 LYS 17 2HZ LYS 17 11.960 1.238 8.241 152 H GLY 18 H GLY 18 9.730 -1.955 4.649 153 HA2 GLY 18 2HA GLY 18 10.885 -1.218 2.783 154 HA3 GLY 18 1HA GLY 18 11.721 -2.758 2.730 155 H LYS 19 H LYS 19 9.211 -4.306 2.598 156 HA LYS 19 HA LYS 19 8.942 -4.257 -0.258 157 HB2 LYS 19 2HB LYS 19 7.607 -5.971 1.846 158 HB3 LYS 19 1HB LYS 19 7.423 -6.207 0.113 159 HG2 LYS 19 2HG LYS 19 9.999 -6.418 1.674 160 HG3 LYS 19 1HG LYS 19 9.050 -7.759 1.029 161 HD2 LYS 19 2HD LYS 19 9.412 -6.822 -1.263 162 HD3 LYS 19 1HD LYS 19 10.489 -5.620 -0.551 163 HE2 LYS 19 2HE LYS 19 10.858 -8.617 -0.481 164 HE3 LYS 19 1HE LYS 19 11.759 -7.481 -1.482 165 HZ1 LYS 19 3HZ LYS 19 12.532 -6.434 0.627 166 HZ2 LYS 19 1HZ LYS 19 13.079 -8.017 0.393 167 HZ3 LYS 19 2HZ LYS 19 11.819 -7.710 1.475 168 H VAL 20 H VAL 20 6.898 -4.275 -1.389 169 HA VAL 20 HA VAL 20 4.719 -2.762 -0.107 170 HB VAL 20 HB VAL 20 4.337 -1.503 -2.168 171 HG11 VAL 20 1HG1 VAL 20 5.794 -0.502 -0.481 172 HG12 VAL 20 2HG1 VAL 20 6.284 -0.019 -2.106 173 HG13 VAL 20 3HG1 VAL 20 7.202 -1.251 -1.238 174 HG21 VAL 20 3HG2 VAL 20 6.005 -1.549 -4.012 175 HG22 VAL 20 1HG2 VAL 20 5.138 -3.076 -3.826 176 HG23 VAL 20 2HG2 VAL 20 6.789 -2.920 -3.228 177 H SER 21 H SER 21 2.605 -3.148 -1.032 178 HA SER 21 HA SER 21 2.415 -5.456 -2.870 179 HB2 SER 21 2HB SER 21 0.701 -5.043 -0.403 180 HB3 SER 21 1HB SER 21 0.501 -6.333 -1.588 181 HG SER 21 HG SER 21 3.044 -6.167 -0.609 182 H THR 22 H THR 22 0.483 -5.564 -4.134 183 HA THR 22 HA THR 22 -0.762 -2.952 -4.608 184 HB THR 22 HB THR 22 -1.678 -3.913 -6.659 185 HG1 THR 22 HG1 THR 22 -0.308 -6.338 -6.064 186 HG21 THR 22 3HG2 THR 22 0.415 -4.381 -7.856 187 HG22 THR 22 1HG2 THR 22 1.248 -4.612 -6.319 188 HG23 THR 22 2HG2 THR 22 0.607 -3.024 -6.746 189 H TYR 23 H TYR 23 -3.056 -2.715 -4.797 190 HA TYR 23 HA TYR 23 -4.552 -3.731 -2.687 191 HB2 TYR 23 2HB TYR 23 -5.586 -2.609 -5.306 192 HB3 TYR 23 1HB TYR 23 -6.522 -2.774 -3.823 193 HD1 TYR 23 HD2 TYR 23 -5.968 -1.366 -1.849 194 HD2 TYR 23 HD1 TYR 23 -4.059 -0.781 -5.610 195 HE1 TYR 23 HE2 TYR 23 -5.205 0.848 -1.113 196 HE2 TYR 23 HE1 TYR 23 -3.287 1.434 -4.876 197 HH TYR 23 HH TYR 23 -3.364 2.440 -1.661 198 H GLY 24 H GLY 24 -4.219 -4.979 -5.968 199 HA2 GLY 24 2HA GLY 24 -6.346 -6.845 -5.928 200 HA3 GLY 24 1HA GLY 24 -4.922 -6.941 -6.949 201 H GLU 25 H GLU 25 -2.921 -7.203 -5.050 202 HA GLU 25 HA GLU 25 -2.988 -9.944 -4.398 203 HB2 GLU 25 2HB GLU 25 -1.222 -7.721 -3.335 204 HB3 GLU 25 1HB GLU 25 -0.931 -9.432 -3.054 205 HG2 GLU 25 2HG GLU 25 -0.600 -9.813 -5.409 206 HG3 GLU 25 1HG GLU 25 -1.043 -8.148 -5.775 207 H ILE 26 H ILE 26 -3.172 -7.101 -2.242 208 HA ILE 26 HA ILE 26 -3.595 -8.428 0.169 209 HB ILE 26 HB ILE 26 -4.715 -5.741 -0.679 210 HG12 ILE 26 2HG1 ILE 26 -2.280 -5.846 -0.904 211 HG13 ILE 26 1HG1 ILE 26 -2.724 -4.808 0.447 212 HG21 ILE 26 1HG2 ILE 26 -4.768 -5.233 1.745 213 HG22 ILE 26 2HG2 ILE 26 -4.346 -6.912 2.084 214 HG23 ILE 26 3HG2 ILE 26 -5.874 -6.530 1.293 215 HD11 ILE 26 3HD1 ILE 26 -2.181 -6.592 2.008 216 HD12 ILE 26 1HD1 ILE 26 -0.808 -6.217 0.969 217 HD13 ILE 26 2HD1 ILE 26 -1.773 -7.660 0.664 218 H ALA 27 H ALA 27 -6.067 -7.165 -2.089 219 HA ALA 27 HA ALA 27 -8.340 -7.997 -0.710 220 HB1 ALA 27 3HB ALA 27 -7.988 -7.828 -3.704 221 HB2 ALA 27 1HB ALA 27 -8.372 -6.476 -2.641 222 HB3 ALA 27 2HB ALA 27 -9.519 -7.802 -2.827 223 H LYS 28 H LYS 28 -6.378 -9.784 -3.091 224 HA LYS 28 HA LYS 28 -8.037 -12.049 -3.271 225 HB2 LYS 28 2HB LYS 28 -6.273 -11.593 -4.902 226 HB3 LYS 28 1HB LYS 28 -5.042 -11.848 -3.669 227 HG2 LYS 28 2HG LYS 28 -5.697 -14.182 -3.461 228 HG3 LYS 28 1HG LYS 28 -6.989 -13.942 -4.637 229 HD2 LYS 28 2HD LYS 28 -5.315 -13.407 -6.356 230 HD3 LYS 28 1HD LYS 28 -4.026 -13.655 -5.175 231 HE2 LYS 28 2HE LYS 28 -4.681 -15.987 -4.920 232 HE3 LYS 28 1HE LYS 28 -6.028 -15.752 -6.032 233 HZ1 LYS 28 3HZ LYS 28 -4.448 -15.278 -7.794 234 HZ2 LYS 28 1HZ LYS 28 -4.144 -16.799 -7.116 235 HZ3 LYS 28 2HZ LYS 28 -3.152 -15.492 -6.725 236 H MET 29 H MET 29 -5.027 -11.657 -1.329 237 HA MET 29 HA MET 29 -5.267 -14.118 0.022 238 HB2 MET 29 2HB MET 29 -3.710 -11.616 0.519 239 HB3 MET 29 1HB MET 29 -3.816 -12.796 1.817 240 HG2 MET 29 2HG MET 29 -1.856 -13.369 0.712 241 HG3 MET 29 1HG MET 29 -3.037 -14.506 0.068 242 HE1 MET 29 3HE MET 29 -1.962 -10.751 -0.676 243 HE2 MET 29 1HE MET 29 -1.044 -11.022 -2.157 244 HE3 MET 29 2HE MET 29 -0.500 -11.739 -0.640 245 H ALA 30 H ALA 30 -6.833 -11.062 0.616 246 HA ALA 30 HA ALA 30 -7.719 -11.696 3.280 247 HB1 ALA 30 3HB ALA 30 -8.778 -9.621 1.359 248 HB2 ALA 30 1HB ALA 30 -7.471 -9.376 2.518 249 HB3 ALA 30 2HB ALA 30 -9.106 -9.706 3.092 250 H GLY 31 H GLY 31 -8.814 -12.505 0.115 251 HA2 GLY 31 2HA GLY 31 -10.431 -14.183 -0.303 252 HA3 GLY 31 1HA GLY 31 -11.163 -13.852 1.256 253 H TYR 32 H TYR 32 -10.394 -11.154 -0.764 254 HA TYR 32 HA TYR 32 -13.166 -10.967 -1.762 255 HB2 TYR 32 2HB TYR 32 -11.617 -8.695 -0.478 256 HB3 TYR 32 1HB TYR 32 -13.236 -8.587 -1.158 257 HD1 TYR 32 HD2 TYR 32 -11.230 -9.794 1.670 258 HD2 TYR 32 HD1 TYR 32 -15.157 -9.478 0.055 259 HE1 TYR 32 HE2 TYR 32 -12.174 -10.349 3.869 260 HE2 TYR 32 HE1 TYR 32 -16.109 -10.033 2.253 261 HH TYR 32 HH TYR 32 -14.267 -10.031 5.109 262 HA PRO 33 HA PRO 33 -9.704 -9.912 -4.918 263 HB2 PRO 33 2HB PRO 33 -10.426 -11.800 -6.788 264 HB3 PRO 33 1HB PRO 33 -9.196 -12.061 -5.546 265 HG2 PRO 33 2HG PRO 33 -12.077 -12.893 -5.561 266 HG3 PRO 33 1HG PRO 33 -10.647 -13.815 -5.051 267 HD2 PRO 33 2HD PRO 33 -12.277 -12.638 -3.265 268 HD3 PRO 33 1HD PRO 33 -10.522 -12.724 -3.003 269 H GLY 34 H GLY 34 -10.151 -8.350 -6.381 270 HA2 GLY 34 2HA GLY 34 -11.403 -7.414 -8.196 271 HA3 GLY 34 1HA GLY 34 -12.832 -8.252 -7.613 272 H TYR 35 H TYR 35 -12.265 -7.383 -4.804 273 HA TYR 35 HA TYR 35 -13.641 -4.837 -4.953 274 HB2 TYR 35 2HB TYR 35 -12.793 -6.549 -2.604 275 HB3 TYR 35 1HB TYR 35 -13.694 -5.043 -2.445 276 HD1 TYR 35 HD1 TYR 35 -13.853 -8.544 -3.599 277 HD2 TYR 35 HD2 TYR 35 -16.052 -4.945 -2.986 278 HE1 TYR 35 HE1 TYR 35 -15.954 -9.780 -3.900 279 HE2 TYR 35 HE2 TYR 35 -18.158 -6.176 -3.285 280 HH TYR 35 HH TYR 35 -18.312 -9.576 -3.292 281 H ALA 36 H ALA 36 -10.816 -4.947 -5.822 282 HA ALA 36 HA ALA 36 -9.004 -3.940 -3.964 283 HB1 ALA 36 3HB ALA 36 -7.674 -3.229 -5.873 284 HB2 ALA 36 1HB ALA 36 -9.073 -3.401 -6.933 285 HB3 ALA 36 2HB ALA 36 -8.369 -4.823 -6.161 286 H ARG 37 H ARG 37 -11.280 -2.174 -6.050 287 HA ARG 37 HA ARG 37 -10.381 0.428 -5.503 288 HB2 ARG 37 2HB ARG 37 -12.467 1.207 -6.386 289 HB3 ARG 37 1HB ARG 37 -12.013 -0.226 -7.298 290 HG2 ARG 37 2HG ARG 37 -13.574 -1.553 -5.885 291 HG3 ARG 37 1HG ARG 37 -14.091 -0.051 -5.119 292 HD2 ARG 37 2HD ARG 37 -15.693 -0.522 -6.801 293 HD3 ARG 37 1HD ARG 37 -14.689 0.783 -7.433 294 HE ARG 37 HE ARG 37 -13.849 -1.871 -8.205 295 HH11 ARG 37 1HH1 ARG 37 -15.707 0.908 -9.051 296 HH12 ARG 37 2HH1 ARG 37 -15.853 0.431 -10.704 297 HH21 ARG 37 1HH2 ARG 37 -14.043 -2.463 -10.326 298 HH22 ARG 37 2HH2 ARG 37 -14.913 -1.445 -11.422 299 H HIS 38 H HIS 38 -12.451 -1.719 -3.658 300 HA HIS 38 HA HIS 38 -13.335 0.251 -1.766 301 HB2 HIS 38 2HB HIS 38 -13.330 -2.778 -1.626 302 HB3 HIS 38 1HB HIS 38 -14.102 -1.725 -0.445 303 HD2 HIS 38 HD2 HIS 38 -14.587 -2.912 -4.133 304 HE1 HIS 38 HE1 HIS 38 -18.097 -0.958 -2.811 305 HE2 HIS 38 HE2 HIS 38 -17.110 -2.500 -4.559 306 H VAL 39 H VAL 39 -10.789 -2.230 -1.809 307 HA VAL 39 HA VAL 39 -9.740 -1.869 0.751 308 HB VAL 39 HB VAL 39 -8.140 -2.438 -1.766 309 HG11 VAL 39 1HG1 VAL 39 -6.730 -1.844 0.135 310 HG12 VAL 39 2HG1 VAL 39 -6.566 -3.558 -0.242 311 HG13 VAL 39 3HG1 VAL 39 -7.542 -3.048 1.137 312 HG21 VAL 39 3HG2 VAL 39 -8.463 -4.817 -1.225 313 HG22 VAL 39 1HG2 VAL 39 -9.997 -4.011 -1.552 314 HG23 VAL 39 2HG2 VAL 39 -9.525 -4.369 0.109 315 H GLY 40 H GLY 40 -9.033 -0.096 -2.252 316 HA2 GLY 40 2HA GLY 40 -7.120 1.702 -1.252 317 HA3 GLY 40 1HA GLY 40 -8.192 2.015 -2.608 318 H LYS 41 H LYS 41 -10.673 2.037 -1.393 319 HA LYS 41 HA LYS 41 -10.792 4.598 -0.195 320 HB2 LYS 41 2HB LYS 41 -12.856 2.381 -0.253 321 HB3 LYS 41 1HB LYS 41 -13.179 4.035 0.256 322 HG2 LYS 41 2HG LYS 41 -12.609 4.844 -1.980 323 HG3 LYS 41 1HG LYS 41 -12.256 3.193 -2.492 324 HD2 LYS 41 2HD LYS 41 -14.477 3.851 -3.241 325 HD3 LYS 41 1HD LYS 41 -14.600 2.566 -2.039 326 HE2 LYS 41 2HE LYS 41 -16.280 4.271 -1.621 327 HE3 LYS 41 1HE LYS 41 -15.099 4.249 -0.313 328 HZ1 LYS 41 3HZ LYS 41 -15.665 6.504 -1.003 329 HZ2 LYS 41 1HZ LYS 41 -15.117 6.182 -2.570 330 HZ3 LYS 41 2HZ LYS 41 -14.030 6.181 -1.276 331 H ALA 42 H ALA 42 -10.667 1.360 1.172 332 HA ALA 42 HA ALA 42 -11.279 2.028 3.856 333 HB1 ALA 42 3HB ALA 42 -9.598 -0.258 2.814 334 HB2 ALA 42 1HB ALA 42 -11.351 -0.268 2.991 335 HB3 ALA 42 2HB ALA 42 -10.323 -0.146 4.419 336 H LEU 43 H LEU 43 -8.144 1.619 2.193 337 HA LEU 43 HA LEU 43 -6.545 2.358 4.421 338 HB2 LEU 43 2HB LEU 43 -5.906 2.473 1.468 339 HB3 LEU 43 1HB LEU 43 -4.729 2.628 2.761 340 HG LEU 43 HG LEU 43 -6.377 0.171 2.131 341 HD11 LEU 43 1HD1 LEU 43 -3.415 0.681 1.872 342 HD12 LEU 43 2HD1 LEU 43 -4.569 0.553 0.545 343 HD13 LEU 43 3HD1 LEU 43 -4.237 -0.848 1.559 344 HD21 LEU 43 3HD2 LEU 43 -5.082 -0.937 3.888 345 HD22 LEU 43 1HD2 LEU 43 -6.042 0.389 4.540 346 HD23 LEU 43 2HD2 LEU 43 -4.308 0.594 4.293 347 H GLY 44 H GLY 44 -7.888 4.222 1.713 348 HA2 GLY 44 2HA GLY 44 -6.665 6.695 2.306 349 HA3 GLY 44 1HA GLY 44 -8.166 6.488 1.419 350 H ASN 45 H ASN 45 -9.057 5.003 4.044 351 HA ASN 45 HA ASN 45 -10.120 7.398 5.343 352 HB2 ASN 45 2HB ASN 45 -11.646 5.550 4.674 353 HB3 ASN 45 1HB ASN 45 -10.801 4.475 5.781 354 HD21 ASN 45 1HD2 ASN 45 -11.155 4.668 7.977 355 HD22 ASN 45 2HD2 ASN 45 -12.413 5.650 8.639 356 H LEU 46 H LEU 46 -7.478 5.386 5.729 357 HA LEU 46 HA LEU 46 -7.478 5.205 8.616 358 HB2 LEU 46 2HB LEU 46 -5.495 4.425 6.492 359 HB3 LEU 46 1HB LEU 46 -5.112 4.313 8.200 360 HG LEU 46 HG LEU 46 -7.408 2.864 6.864 361 HD11 LEU 46 1HD1 LEU 46 -4.720 1.814 7.755 362 HD12 LEU 46 2HD1 LEU 46 -5.231 2.046 6.083 363 HD13 LEU 46 3HD1 LEU 46 -6.049 0.858 7.096 364 HD21 LEU 46 3HD2 LEU 46 -7.498 1.603 8.972 365 HD22 LEU 46 1HD2 LEU 46 -7.808 3.320 9.228 366 HD23 LEU 46 2HD2 LEU 46 -6.234 2.638 9.642 367 HA PRO 47 HA PRO 47 -5.120 8.949 9.396 368 HB2 PRO 47 2HB PRO 47 -4.230 8.355 11.886 369 HB3 PRO 47 1HB PRO 47 -5.908 8.806 11.566 370 HG2 PRO 47 2HG PRO 47 -4.720 6.077 11.942 371 HG3 PRO 47 1HG PRO 47 -6.225 6.743 12.607 372 HD2 PRO 47 2HD PRO 47 -6.168 5.113 10.429 373 HD3 PRO 47 1HD PRO 47 -7.397 6.373 10.656 374 H GLU 48 H GLU 48 -2.956 9.587 9.233 375 HA GLU 48 HA GLU 48 -1.207 7.684 8.073 376 HB2 GLU 48 2HB GLU 48 0.401 9.477 7.884 377 HB3 GLU 48 1HB GLU 48 -1.197 10.073 7.467 378 HG2 GLU 48 2HG GLU 48 -1.379 11.075 9.709 379 HG3 GLU 48 1HG GLU 48 0.259 10.528 10.067 380 H GLY 49 H GLY 49 -1.560 8.813 11.360 381 HA2 GLY 49 2HA GLY 49 0.954 7.610 12.220 382 HA3 GLY 49 1HA GLY 49 -0.220 8.422 13.236 383 H SER 50 H SER 50 -1.415 5.944 11.129 384 HA SER 50 HA SER 50 -2.331 4.348 13.322 385 HB2 SER 50 2HB SER 50 -3.675 4.477 11.320 386 HB3 SER 50 1HB SER 50 -2.351 3.870 10.330 387 HG SER 50 HG SER 50 -3.014 1.943 10.767 388 H LYS 51 H LYS 51 -1.761 2.219 13.884 389 HA LYS 51 HA LYS 51 0.967 1.481 13.746 390 HB2 LYS 51 2HB LYS 51 -0.463 0.732 15.575 391 HB3 LYS 51 1HB LYS 51 -1.480 -0.159 14.451 392 HG2 LYS 51 2HG LYS 51 0.506 -1.577 13.894 393 HG3 LYS 51 1HG LYS 51 1.380 -0.762 15.191 394 HD2 LYS 51 2HD LYS 51 -1.167 -2.364 15.503 395 HD3 LYS 51 1HD LYS 51 0.454 -2.906 15.938 396 HE2 LYS 51 2HE LYS 51 0.619 -1.160 17.619 397 HE3 LYS 51 1HE LYS 51 -0.954 -0.519 17.144 398 HZ1 LYS 51 3HZ LYS 51 -0.473 -3.218 18.283 399 HZ2 LYS 51 1HZ LYS 51 -1.981 -2.575 17.856 400 HZ3 LYS 51 2HZ LYS 51 -1.096 -1.892 19.126 401 H LEU 52 H LEU 52 -1.901 0.219 12.087 402 HA LEU 52 HA LEU 52 -0.705 -1.695 10.449 403 HB2 LEU 52 2HB LEU 52 -3.102 -1.535 10.671 404 HB3 LEU 52 1HB LEU 52 -3.101 0.083 9.991 405 HG LEU 52 HG LEU 52 -2.295 -0.905 7.823 406 HD11 LEU 52 1HD1 LEU 52 -2.551 -3.302 7.475 407 HD12 LEU 52 2HD1 LEU 52 -2.951 -3.520 9.177 408 HD13 LEU 52 3HD1 LEU 52 -1.340 -2.971 8.712 409 HD21 LEU 52 3HD2 LEU 52 -4.487 -1.779 7.178 410 HD22 LEU 52 1HD2 LEU 52 -4.632 -0.326 8.165 411 HD23 LEU 52 2HD2 LEU 52 -4.937 -1.909 8.878 412 HA PRO 53 HA PRO 53 1.634 1.169 7.828 413 HB2 PRO 53 2HB PRO 53 2.948 -0.713 6.369 414 HB3 PRO 53 1HB PRO 53 3.430 -0.278 8.012 415 HG2 PRO 53 2HG PRO 53 1.813 -2.619 7.070 416 HG3 PRO 53 1HG PRO 53 3.107 -2.568 8.284 417 HD2 PRO 53 2HD PRO 53 0.459 -2.603 8.936 418 HD3 PRO 53 1HD PRO 53 1.692 -1.815 9.943 419 H TRP 54 H TRP 54 -0.188 1.968 6.712 420 HA TRP 54 HA TRP 54 -1.389 0.465 4.551 421 HB2 TRP 54 2HB TRP 54 -2.694 2.559 4.174 422 HB3 TRP 54 1HB TRP 54 -2.785 1.985 5.835 423 HD1 TRP 54 HD1 TRP 54 -1.583 3.469 7.725 424 HE1 TRP 54 HE1 TRP 54 -0.788 5.911 7.750 425 HE3 TRP 54 HE3 TRP 54 -1.708 4.407 2.697 426 HZ2 TRP 54 HZ2 TRP 54 -0.280 7.979 5.873 427 HZ3 TRP 54 HZ3 TRP 54 -1.054 6.638 1.898 428 HH2 TRP 54 HH2 TRP 54 -0.357 8.384 3.452 429 H PHE 55 H PHE 55 1.158 2.750 4.936 430 HA PHE 55 HA PHE 55 1.227 3.904 2.387 431 HB2 PHE 55 2HB PHE 55 3.626 4.459 2.986 432 HB3 PHE 55 1HB PHE 55 2.399 5.010 4.114 433 HD1 PHE 55 HD1 PHE 55 5.185 2.684 3.601 434 HD2 PHE 55 HD2 PHE 55 2.234 4.066 6.345 435 HE1 PHE 55 HE1 PHE 55 6.387 1.587 5.441 436 HE2 PHE 55 HE2 PHE 55 3.435 2.967 8.191 437 HZ PHE 55 HZ PHE 55 5.515 1.726 7.740 438 H ARG 56 H ARG 56 2.189 0.735 3.356 439 HA ARG 56 HA ARG 56 4.122 0.374 1.242 440 HB2 ARG 56 2HB ARG 56 2.802 -1.695 3.016 441 HB3 ARG 56 1HB ARG 56 4.146 -1.999 1.925 442 HG2 ARG 56 2HG ARG 56 5.438 -0.264 3.267 443 HG3 ARG 56 1HG ARG 56 4.133 -0.364 4.452 444 HD2 ARG 56 2HD ARG 56 4.533 -2.853 4.529 445 HD3 ARG 56 1HD ARG 56 5.971 -2.587 3.548 446 HE ARG 56 HE ARG 56 5.698 -2.148 6.344 447 HH11 ARG 56 1HH1 ARG 56 7.378 -0.991 3.559 448 HH12 ARG 56 2HH1 ARG 56 8.675 -0.344 4.505 449 HH21 ARG 56 1HH2 ARG 56 7.350 -1.357 7.507 450 HH22 ARG 56 2HH2 ARG 56 8.673 -0.575 6.713 451 H VAL 57 H VAL 57 0.869 0.702 1.014 452 HA VAL 57 HA VAL 57 0.603 -1.369 -1.074 453 HB VAL 57 HB VAL 57 -1.639 0.111 0.320 454 HG11 VAL 57 1HG1 VAL 57 -1.653 -2.299 -1.504 455 HG12 VAL 57 2HG1 VAL 57 -2.246 -0.685 -1.896 456 HG13 VAL 57 3HG1 VAL 57 -3.060 -1.646 -0.661 457 HG21 VAL 57 3HG2 VAL 57 -0.443 -1.290 1.922 458 HG22 VAL 57 1HG2 VAL 57 -0.571 -2.674 0.834 459 HG23 VAL 57 2HG2 VAL 57 -2.023 -1.981 1.559 460 H ILE 58 H ILE 58 0.551 -0.752 -3.135 461 HA ILE 58 HA ILE 58 -0.403 1.950 -3.835 462 HB ILE 58 HB ILE 58 1.384 2.068 -5.603 463 HG12 ILE 58 2HG1 ILE 58 2.561 -0.235 -4.017 464 HG13 ILE 58 1HG1 ILE 58 2.011 -0.297 -5.689 465 HG21 ILE 58 1HG2 ILE 58 3.128 2.854 -4.074 466 HG22 ILE 58 2HG2 ILE 58 2.338 2.016 -2.737 467 HG23 ILE 58 3HG2 ILE 58 1.527 3.363 -3.536 468 HD11 ILE 58 3HD1 ILE 58 4.424 -0.182 -5.567 469 HD12 ILE 58 1HD1 ILE 58 4.326 1.316 -4.641 470 HD13 ILE 58 2HD1 ILE 58 3.774 1.277 -6.316 471 H ASN 59 H ASN 59 -0.484 2.036 -6.449 472 HA ASN 59 HA ASN 59 -2.536 0.089 -7.041 473 HB2 ASN 59 2HB ASN 59 -2.957 1.432 -9.061 474 HB3 ASN 59 1HB ASN 59 -2.924 2.422 -7.606 475 HD21 ASN 59 1HD2 ASN 59 -2.518 4.260 -8.843 476 HD22 ASN 59 2HD2 ASN 59 -0.966 4.573 -9.521 477 H SER 60 H SER 60 -2.617 -0.552 -9.535 478 HA SER 60 HA SER 60 -0.662 -2.592 -9.818 479 HB2 SER 60 2HB SER 60 -1.804 -3.086 -11.972 480 HB3 SER 60 1HB SER 60 -2.933 -2.924 -10.628 481 HG SER 60 HG SER 60 -2.910 -1.583 -12.920 482 H GLN 61 H GLN 61 -0.683 0.676 -10.884 483 HA GLN 61 HA GLN 61 1.205 0.281 -13.054 484 HB2 GLN 61 2HB GLN 61 0.310 2.832 -11.685 485 HB3 GLN 61 1HB GLN 61 1.249 2.740 -13.170 486 HG2 GLN 61 2HG GLN 61 -0.638 1.653 -14.292 487 HG3 GLN 61 1HG GLN 61 -1.578 1.752 -12.803 488 HE21 GLN 61 1HE2 GLN 61 -2.120 2.927 -15.426 489 HE22 GLN 61 2HE2 GLN 61 -2.247 4.628 -15.168 490 H GLY 62 H GLY 62 1.436 0.338 -9.712 491 HA2 GLY 62 2HA GLY 62 3.230 0.492 -8.268 492 HA3 GLY 62 1HA GLY 62 4.285 0.664 -9.666 493 H LYS 63 H LYS 63 1.573 2.611 -8.451 494 HA LYS 63 HA LYS 63 3.396 4.897 -8.071 495 HB2 LYS 63 2HB LYS 63 0.719 5.009 -9.484 496 HB3 LYS 63 1HB LYS 63 1.704 6.402 -9.071 497 HG2 LYS 63 2HG LYS 63 3.461 5.610 -10.586 498 HG3 LYS 63 1HG LYS 63 2.472 4.204 -10.995 499 HD2 LYS 63 2HD LYS 63 0.712 5.734 -11.839 500 HD3 LYS 63 1HD LYS 63 1.767 7.106 -11.498 501 HE2 LYS 63 2HE LYS 63 3.419 6.224 -13.080 502 HE3 LYS 63 1HE LYS 63 2.365 4.851 -13.418 503 HZ1 LYS 63 3HZ LYS 63 1.781 7.706 -13.986 504 HZ2 LYS 63 1HZ LYS 63 0.686 6.438 -14.218 505 HZ3 LYS 63 2HZ LYS 63 2.115 6.498 -15.120 506 H ILE 64 H ILE 64 2.546 6.556 -6.647 507 HA ILE 64 HA ILE 64 1.129 5.507 -4.395 508 HB ILE 64 HB ILE 64 1.917 8.364 -5.026 509 HG12 ILE 64 2HG1 ILE 64 3.304 6.265 -3.325 510 HG13 ILE 64 1HG1 ILE 64 3.831 6.799 -4.919 511 HG21 ILE 64 1HG2 ILE 64 1.050 7.107 -2.415 512 HG22 ILE 64 2HG2 ILE 64 0.146 8.295 -3.354 513 HG23 ILE 64 3HG2 ILE 64 1.675 8.745 -2.598 514 HD11 ILE 64 3HD1 ILE 64 3.691 8.499 -2.440 515 HD12 ILE 64 1HD1 ILE 64 4.203 9.047 -4.037 516 HD13 ILE 64 2HD1 ILE 64 5.149 7.833 -3.177 517 H SER 65 H SER 65 -1.019 5.341 -4.198 518 HA SER 65 HA SER 65 -2.842 6.326 -6.122 519 HB2 SER 65 2HB SER 65 -3.448 5.288 -3.339 520 HB3 SER 65 1HB SER 65 -4.597 5.426 -4.670 521 HG SER 65 HG SER 65 -3.320 3.326 -4.158 522 H LEU 66 H LEU 66 -2.126 7.411 -2.807 523 HA LEU 66 HA LEU 66 -4.025 9.561 -2.890 524 HB2 LEU 66 2HB LEU 66 -1.695 9.077 -1.020 525 HB3 LEU 66 1HB LEU 66 -2.931 10.299 -0.792 526 HG LEU 66 HG LEU 66 -3.358 7.306 -0.746 527 HD11 LEU 66 1HD1 LEU 66 -2.254 8.123 1.252 528 HD12 LEU 66 2HD1 LEU 66 -3.921 7.677 1.615 529 HD13 LEU 66 3HD1 LEU 66 -3.481 9.376 1.447 530 HD21 LEU 66 3HD2 LEU 66 -5.668 7.821 -0.113 531 HD22 LEU 66 1HD2 LEU 66 -5.292 8.431 -1.723 532 HD23 LEU 66 2HD2 LEU 66 -5.355 9.540 -0.352 533 H LYS 67 H LYS 67 -3.778 11.396 -3.996 534 HA LYS 67 HA LYS 67 -1.055 12.260 -4.736 535 HB2 LYS 67 2HB LYS 67 -3.695 12.821 -6.111 536 HB3 LYS 67 1HB LYS 67 -2.119 13.387 -6.657 537 HG2 LYS 67 2HG LYS 67 -1.381 11.116 -7.038 538 HG3 LYS 67 1HG LYS 67 -2.883 10.484 -6.363 539 HD2 LYS 67 2HD LYS 67 -4.141 11.544 -8.194 540 HD3 LYS 67 1HD LYS 67 -2.630 12.153 -8.872 541 HE2 LYS 67 2HE LYS 67 -1.835 9.857 -9.176 542 HE3 LYS 67 1HE LYS 67 -3.333 9.240 -8.483 543 HZ1 LYS 67 3HZ LYS 67 -4.531 10.305 -10.328 544 HZ2 LYS 67 1HZ LYS 67 -3.436 9.135 -10.863 545 HZ3 LYS 67 2HZ LYS 67 -3.060 10.775 -11.010 546 H GLY 68 H GLY 68 -0.982 14.735 -5.230 547 HA2 GLY 68 2HA GLY 68 -1.233 16.917 -4.414 548 HA3 GLY 68 1HA GLY 68 -2.439 16.335 -3.275 549 H ARG 69 H ARG 69 -1.698 16.959 -1.296 550 HA ARG 69 HA ARG 69 1.110 16.720 -0.613 551 HB2 ARG 69 2HB ARG 69 -1.304 17.519 1.016 552 HB3 ARG 69 1HB ARG 69 0.313 17.393 1.698 553 HG2 ARG 69 2HG ARG 69 1.064 19.068 -0.022 554 HG3 ARG 69 1HG ARG 69 -0.637 19.293 -0.441 555 HD2 ARG 69 2HD ARG 69 0.116 21.002 1.136 556 HD3 ARG 69 1HD ARG 69 -1.117 19.971 1.864 557 HE ARG 69 HE ARG 69 1.730 19.442 2.367 558 HH11 ARG 69 1HH1 ARG 69 -1.385 20.323 3.555 559 HH12 ARG 69 2HH1 ARG 69 -0.929 20.100 5.206 560 HH21 ARG 69 1HH2 ARG 69 2.288 19.177 4.493 561 HH22 ARG 69 2HH2 ARG 69 1.116 19.472 5.726 562 H ASP 70 H ASP 70 -1.800 14.837 -0.214 563 HA ASP 70 HA ASP 70 -0.866 13.012 1.729 564 HB2 ASP 70 2HB ASP 70 -2.896 12.696 -0.491 565 HB3 ASP 70 1HB ASP 70 -2.582 11.454 0.719 566 H LEU 71 H LEU 71 -0.010 13.475 -1.557 567 HA LEU 71 HA LEU 71 1.057 10.929 -2.147 568 HB2 LEU 71 2HB LEU 71 0.640 12.815 -3.775 569 HB3 LEU 71 1HB LEU 71 2.078 13.596 -3.151 570 HG LEU 71 HG LEU 71 2.233 10.816 -4.307 571 HD11 LEU 71 1HD1 LEU 71 2.373 13.403 -5.856 572 HD12 LEU 71 2HD1 LEU 71 1.137 12.153 -6.010 573 HD13 LEU 71 3HD1 LEU 71 2.802 11.809 -6.479 574 HD21 LEU 71 3HD2 LEU 71 4.540 11.474 -4.798 575 HD22 LEU 71 1HD2 LEU 71 4.184 11.639 -3.078 576 HD23 LEU 71 2HD2 LEU 71 4.239 13.070 -4.109 577 H ASP 72 H ASP 72 2.661 13.885 -0.888 578 HA ASP 72 HA ASP 72 5.145 12.670 -0.334 579 HB2 ASP 72 2HB ASP 72 3.850 15.077 0.964 580 HB3 ASP 72 1HB ASP 72 5.544 14.625 1.144 581 H ARG 73 H ARG 73 2.196 12.912 1.537 582 HA ARG 73 HA ARG 73 2.936 12.021 4.040 583 HB2 ARG 73 2HB ARG 73 0.693 12.731 3.475 584 HB3 ARG 73 1HB ARG 73 0.499 11.393 2.361 585 HG2 ARG 73 2HG ARG 73 0.514 9.827 4.260 586 HG3 ARG 73 1HG ARG 73 0.673 11.198 5.367 587 HD2 ARG 73 2HD ARG 73 -1.448 12.084 4.700 588 HD3 ARG 73 1HD ARG 73 -1.580 10.936 3.372 589 HE ARG 73 HE ARG 73 -1.427 9.626 5.894 590 HH11 ARG 73 1HH1 ARG 73 -3.574 11.327 3.795 591 HH12 ARG 73 2HH1 ARG 73 -4.982 10.525 4.407 592 HH21 ARG 73 1HH2 ARG 73 -3.261 8.603 6.666 593 HH22 ARG 73 2HH2 ARG 73 -4.805 9.004 6.010 594 H GLN 74 H GLN 74 1.725 9.855 1.449 595 HA GLN 74 HA GLN 74 2.648 7.472 2.700 596 HB2 GLN 74 2HB GLN 74 0.773 7.682 1.001 597 HB3 GLN 74 1HB GLN 74 2.014 7.846 -0.238 598 HG2 GLN 74 2HG GLN 74 2.889 5.637 0.338 599 HG3 GLN 74 1HG GLN 74 1.662 5.472 1.590 600 HE21 GLN 74 1HE2 GLN 74 2.108 3.736 -0.633 601 HE22 GLN 74 2HE2 GLN 74 0.654 3.729 -1.564 602 H LYS 75 H LYS 75 3.914 9.466 0.070 603 HA LYS 75 HA LYS 75 6.067 8.033 -0.841 604 HB2 LYS 75 2HB LYS 75 5.403 10.119 -1.852 605 HB3 LYS 75 1HB LYS 75 5.791 11.006 -0.388 606 HG2 LYS 75 2HG LYS 75 8.185 10.430 -0.726 607 HG3 LYS 75 1HG LYS 75 7.741 9.673 -2.259 608 HD2 LYS 75 2HD LYS 75 6.887 11.805 -3.091 609 HD3 LYS 75 1HD LYS 75 7.243 12.570 -1.541 610 HE2 LYS 75 2HE LYS 75 9.639 12.097 -1.884 611 HE3 LYS 75 1HE LYS 75 9.264 11.384 -3.453 612 HZ1 LYS 75 3HZ LYS 75 8.751 14.204 -2.669 613 HZ2 LYS 75 1HZ LYS 75 8.415 13.521 -4.178 614 HZ3 LYS 75 2HZ LYS 75 10.013 13.674 -3.656 615 H GLN 76 H GLN 76 6.277 10.500 1.746 616 HA GLN 76 HA GLN 76 8.984 9.957 2.327 617 HB2 GLN 76 2HB GLN 76 6.876 11.366 3.970 618 HB3 GLN 76 1HB GLN 76 8.595 11.349 4.358 619 HG2 GLN 76 2HG GLN 76 9.077 12.449 2.211 620 HG3 GLN 76 1HG GLN 76 7.351 12.489 1.856 621 HE21 GLN 76 1HE2 GLN 76 9.272 14.674 2.142 622 HE22 GLN 76 2HE2 GLN 76 8.640 15.693 3.386 623 H LYS 77 H LYS 77 5.973 8.712 3.794 624 HA LYS 77 HA LYS 77 7.181 7.273 5.887 625 HB2 LYS 77 2HB LYS 77 4.685 6.785 4.295 626 HB3 LYS 77 1HB LYS 77 5.189 5.688 5.578 627 HG2 LYS 77 2HG LYS 77 5.149 7.536 7.180 628 HG3 LYS 77 1HG LYS 77 4.636 8.637 5.896 629 HD2 LYS 77 2HD LYS 77 2.601 7.365 5.590 630 HD3 LYS 77 1HD LYS 77 3.111 6.194 6.805 631 HE2 LYS 77 2HE LYS 77 2.609 9.129 7.321 632 HE3 LYS 77 1HE LYS 77 1.473 7.829 7.674 633 HZ1 LYS 77 3HZ LYS 77 4.168 8.154 8.881 634 HZ2 LYS 77 1HZ LYS 77 3.098 6.885 9.204 635 HZ3 LYS 77 2HZ LYS 77 2.694 8.464 9.643 636 H LEU 78 H LEU 78 6.993 6.583 2.465 637 HA LEU 78 HA LEU 78 8.154 3.932 2.735 638 HB2 LEU 78 2HB LEU 78 7.500 5.632 0.324 639 HB3 LEU 78 1HB LEU 78 8.150 4.004 0.229 640 HG LEU 78 HG LEU 78 5.530 4.667 1.585 641 HD11 LEU 78 1HD1 LEU 78 5.965 3.606 -1.205 642 HD12 LEU 78 2HD1 LEU 78 5.427 5.237 -0.802 643 HD13 LEU 78 3HD1 LEU 78 4.412 3.850 -0.403 644 HD21 LEU 78 3HD2 LEU 78 5.127 2.269 1.405 645 HD22 LEU 78 1HD2 LEU 78 6.595 2.591 2.326 646 HD23 LEU 78 2HD2 LEU 78 6.708 2.046 0.652 647 H GLU 79 H GLU 79 9.226 7.187 1.871 648 HA GLU 79 HA GLU 79 11.798 6.466 0.925 649 HB2 GLU 79 2HB GLU 79 10.847 9.065 2.149 650 HB3 GLU 79 1HB GLU 79 12.404 8.843 1.360 651 HG2 GLU 79 2HG GLU 79 11.085 8.129 -0.698 652 HG3 GLU 79 1HG GLU 79 9.665 8.764 0.131 653 H ALA 80 H ALA 80 10.540 7.105 4.154 654 HA ALA 80 HA ALA 80 12.926 7.171 5.614 655 HB1 ALA 80 3HB ALA 80 10.708 7.649 6.570 656 HB2 ALA 80 1HB ALA 80 11.592 6.461 7.529 657 HB3 ALA 80 2HB ALA 80 10.294 5.940 6.452 658 H GLU 81 H GLU 81 11.294 4.510 4.078 659 HA GLU 81 HA GLU 81 12.810 2.413 5.358 660 HB2 GLU 81 2HB GLU 81 11.215 2.322 2.782 661 HB3 GLU 81 1HB GLU 81 11.715 0.945 3.755 662 HG2 GLU 81 2HG GLU 81 9.826 3.094 4.697 663 HG3 GLU 81 1HG GLU 81 9.319 1.562 3.988 664 H GLY 82 H GLY 82 13.254 4.532 2.671 665 HA2 GLY 82 2HA GLY 82 15.268 4.742 1.423 666 HA3 GLY 82 1HA GLY 82 15.653 3.069 1.801 667 H ILE 83 H ILE 83 12.443 3.844 0.774 668 HA ILE 83 HA ILE 83 12.740 2.216 -1.603 669 HB ILE 83 HB ILE 83 10.323 3.620 -0.439 670 HG12 ILE 83 2HG1 ILE 83 11.150 0.698 -0.407 671 HG13 ILE 83 1HG1 ILE 83 11.237 1.800 0.963 672 HG21 ILE 83 1HG2 ILE 83 10.060 3.334 -2.852 673 HG22 ILE 83 2HG2 ILE 83 8.980 2.252 -1.973 674 HG23 ILE 83 3HG2 ILE 83 10.458 1.621 -2.704 675 HD11 ILE 83 3HD1 ILE 83 8.725 0.891 -0.428 676 HD12 ILE 83 1HD1 ILE 83 8.799 2.016 0.929 677 HD13 ILE 83 2HD1 ILE 83 9.315 0.343 1.142 678 H GLU 84 H GLU 84 13.070 2.952 -3.605 679 HA GLU 84 HA GLU 84 13.502 5.731 -4.084 680 HB2 GLU 84 2HB GLU 84 14.036 5.011 -6.403 681 HB3 GLU 84 1HB GLU 84 14.912 4.113 -5.173 682 HG2 GLU 84 2HG GLU 84 13.242 2.289 -5.412 683 HG3 GLU 84 1HG GLU 84 12.540 3.167 -6.767 684 H VAL 85 H VAL 85 11.704 6.972 -3.995 685 HA VAL 85 HA VAL 85 9.379 6.281 -5.656 686 HB VAL 85 HB VAL 85 9.651 8.520 -3.633 687 HG11 VAL 85 1HG1 VAL 85 7.942 8.973 -5.304 688 HG12 VAL 85 2HG1 VAL 85 7.189 8.603 -3.753 689 HG13 VAL 85 3HG1 VAL 85 7.221 7.386 -5.031 690 HG21 VAL 85 3HG2 VAL 85 8.363 5.803 -3.308 691 HG22 VAL 85 1HG2 VAL 85 8.327 7.111 -2.124 692 HG23 VAL 85 2HG2 VAL 85 9.858 6.342 -2.542 693 H SER 86 H SER 86 9.508 7.003 -7.683 694 HA SER 86 HA SER 86 11.125 9.158 -8.558 695 HB2 SER 86 2HB SER 86 10.551 7.368 -10.100 696 HB3 SER 86 1HB SER 86 8.837 7.750 -9.950 697 HG SER 86 HG SER 86 10.447 8.692 -11.737 698 H GLU 87 H GLU 87 10.329 11.063 -9.732 699 HA GLU 87 HA GLU 87 9.341 12.881 -7.979 700 HB2 GLU 87 2HB GLU 87 8.973 14.384 -9.948 701 HB3 GLU 87 1HB GLU 87 10.543 13.593 -9.912 702 HG2 GLU 87 2HG GLU 87 9.728 11.937 -11.543 703 HG3 GLU 87 1HG GLU 87 8.179 12.778 -11.601 704 H ILE 88 H ILE 88 7.316 11.453 -10.587 705 HA ILE 88 HA ILE 88 4.989 12.887 -9.659 706 HB ILE 88 HB ILE 88 3.772 11.640 -11.451 707 HG12 ILE 88 2HG1 ILE 88 5.420 10.541 -13.172 708 HG13 ILE 88 1HG1 ILE 88 6.471 10.329 -11.779 709 HG21 ILE 88 1HG2 ILE 88 6.288 13.102 -12.257 710 HG22 ILE 88 2HG2 ILE 88 4.717 13.817 -11.892 711 HG23 ILE 88 3HG2 ILE 88 4.910 12.795 -13.315 712 HD11 ILE 88 3HD1 ILE 88 4.757 8.989 -10.682 713 HD12 ILE 88 1HD1 ILE 88 5.172 8.330 -12.265 714 HD13 ILE 88 2HD1 ILE 88 3.676 9.240 -12.054 715 H GLY 89 H GLY 89 6.387 10.586 -8.086 716 HA2 GLY 89 2HA GLY 89 5.578 9.271 -6.349 717 HA3 GLY 89 1HA GLY 89 3.946 9.522 -6.946 718 H LYS 90 H LYS 90 6.874 8.091 -8.430 719 HA LYS 90 HA LYS 90 5.241 5.685 -9.026 720 HB2 LYS 90 2HB LYS 90 5.828 6.981 -11.040 721 HB3 LYS 90 1HB LYS 90 7.532 6.808 -10.654 722 HG2 LYS 90 2HG LYS 90 7.303 4.353 -10.879 723 HG3 LYS 90 1HG LYS 90 5.618 4.583 -11.355 724 HD2 LYS 90 2HD LYS 90 6.374 5.942 -13.277 725 HD3 LYS 90 1HD LYS 90 8.050 5.647 -12.807 726 HE2 LYS 90 2HE LYS 90 6.030 3.564 -13.654 727 HE3 LYS 90 1HE LYS 90 7.386 4.150 -14.613 728 HZ1 LYS 90 3HZ LYS 90 7.513 2.568 -12.107 729 HZ2 LYS 90 1HZ LYS 90 8.866 3.279 -12.834 730 HZ3 LYS 90 2HZ LYS 90 7.995 2.081 -13.651 731 H ILE 91 H ILE 91 5.868 3.861 -8.099 732 HA ILE 91 HA ILE 91 8.669 3.548 -7.206 733 HB ILE 91 HB ILE 91 6.180 2.279 -6.032 734 HG12 ILE 91 2HG1 ILE 91 7.944 4.479 -4.908 735 HG13 ILE 91 1HG1 ILE 91 6.352 4.727 -5.618 736 HG21 ILE 91 1HG2 ILE 91 8.157 0.856 -5.796 737 HG22 ILE 91 2HG2 ILE 91 7.664 1.509 -4.234 738 HG23 ILE 91 3HG2 ILE 91 9.051 2.198 -5.079 739 HD11 ILE 91 3HD1 ILE 91 6.247 4.736 -3.204 740 HD12 ILE 91 1HD1 ILE 91 6.953 3.121 -3.149 741 HD13 ILE 91 2HD1 ILE 91 5.357 3.363 -3.861 742 H ALA 92 H ALA 92 9.741 1.639 -7.671 743 HA ALA 92 HA ALA 92 8.764 0.051 -9.855 744 HB1 ALA 92 3HB ALA 92 10.904 -1.100 -9.718 745 HB2 ALA 92 1HB ALA 92 11.235 -0.339 -8.161 746 HB3 ALA 92 2HB ALA 92 11.139 0.646 -9.621 747 H LEU 93 H LEU 93 7.072 -1.291 -9.361 748 HA LEU 93 HA LEU 93 6.573 -2.621 -6.978 749 HB2 LEU 93 2HB LEU 93 5.822 -3.295 -9.813 750 HB3 LEU 93 1HB LEU 93 5.288 -4.277 -8.463 751 HG LEU 93 HG LEU 93 4.656 -1.342 -8.828 752 HD11 LEU 93 1HD1 LEU 93 3.513 -2.736 -10.476 753 HD12 LEU 93 2HD1 LEU 93 2.380 -2.089 -9.291 754 HD13 LEU 93 3HD1 LEU 93 2.901 -3.772 -9.185 755 HD21 LEU 93 3HD2 LEU 93 4.771 -1.979 -6.475 756 HD22 LEU 93 1HD2 LEU 93 3.676 -3.330 -6.775 757 HD23 LEU 93 2HD2 LEU 93 3.105 -1.671 -6.961 758 H ARG 94 H ARG 94 7.976 -4.156 -9.902 759 HA ARG 94 HA ARG 94 8.436 -6.671 -8.861 760 HB2 ARG 94 2HB ARG 94 10.242 -5.219 -10.805 761 HB3 ARG 94 1HB ARG 94 10.122 -6.961 -10.598 762 HG2 ARG 94 2HG ARG 94 7.859 -6.948 -11.454 763 HG3 ARG 94 1HG ARG 94 7.879 -5.184 -11.554 764 HD2 ARG 94 2HD ARG 94 9.565 -7.128 -13.135 765 HD3 ARG 94 1HD ARG 94 8.279 -6.085 -13.749 766 HE ARG 94 HE ARG 94 10.506 -4.715 -12.497 767 HH11 ARG 94 1HH1 ARG 94 9.128 -5.844 -15.455 768 HH12 ARG 94 2HH1 ARG 94 10.106 -4.793 -16.423 769 HH21 ARG 94 1HH2 ARG 94 11.748 -3.397 -13.751 770 HH22 ARG 94 2HH2 ARG 94 11.567 -3.430 -15.472 771 H LYS 95 H LYS 95 10.287 -3.775 -8.306 772 HA LYS 95 HA LYS 95 12.647 -5.114 -7.330 773 HB2 LYS 95 2HB LYS 95 12.456 -2.823 -8.525 774 HB3 LYS 95 1HB LYS 95 11.998 -2.191 -6.952 775 HG2 LYS 95 2HG LYS 95 14.549 -3.730 -7.346 776 HG3 LYS 95 1HG LYS 95 14.447 -2.005 -7.692 777 HD2 LYS 95 2HD LYS 95 13.678 -1.642 -5.346 778 HD3 LYS 95 1HD LYS 95 13.949 -3.359 -5.036 779 HE2 LYS 95 2HE LYS 95 15.843 -1.989 -4.286 780 HE3 LYS 95 1HE LYS 95 16.310 -3.104 -5.569 781 HZ1 LYS 95 3HZ LYS 95 15.668 -0.228 -5.972 782 HZ2 LYS 95 1HZ LYS 95 16.204 -1.313 -7.158 783 HZ3 LYS 95 2HZ LYS 95 17.228 -0.875 -5.887 784 H TYR 96 H TYR 96 9.788 -3.603 -5.891 785 HA TYR 96 HA TYR 96 10.845 -4.267 -3.201 786 HB2 TYR 96 2HB TYR 96 8.870 -2.110 -3.990 787 HB3 TYR 96 1HB TYR 96 9.304 -2.512 -2.334 788 HD1 TYR 96 HD1 TYR 96 11.661 -2.111 -1.552 789 HD2 TYR 96 HD2 TYR 96 10.239 -0.676 -5.304 790 HE1 TYR 96 HE1 TYR 96 13.522 -0.508 -1.637 791 HE2 TYR 96 HE2 TYR 96 12.104 0.922 -5.401 792 HH TYR 96 HH TYR 96 14.788 0.772 -3.341 793 H LYS 97 H LYS 97 8.868 -5.611 -5.357 794 HA LYS 97 HA LYS 97 6.328 -5.731 -4.207 795 HB2 LYS 97 2HB LYS 97 6.976 -6.423 -6.535 796 HB3 LYS 97 1HB LYS 97 7.637 -7.902 -5.853 797 HG2 LYS 97 2HG LYS 97 5.392 -8.462 -4.978 798 HG3 LYS 97 1HG LYS 97 4.762 -7.009 -5.766 799 HD2 LYS 97 2HD LYS 97 5.477 -7.869 -7.943 800 HD3 LYS 97 1HD LYS 97 6.137 -9.306 -7.163 801 HE2 LYS 97 2HE LYS 97 3.232 -8.471 -7.262 802 HE3 LYS 97 1HE LYS 97 3.971 -9.802 -8.150 803 HZ1 LYS 97 3HZ LYS 97 4.547 -10.723 -5.866 804 HZ2 LYS 97 1HZ LYS 97 2.923 -10.779 -6.329 805 HZ3 LYS 97 2HZ LYS 97 3.447 -9.596 -5.248 806 H TRP 98 H TRP 98 5.425 -6.887 -2.617 807 HA TRP 98 HA TRP 98 6.869 -8.173 -0.630 808 HB2 TRP 98 2HB TRP 98 4.644 -7.318 -0.231 809 HB3 TRP 98 1HB TRP 98 3.951 -8.433 -1.399 810 HD1 TRP 98 HD1 TRP 98 6.466 -9.912 1.031 811 HE1 TRP 98 HE1 TRP 98 5.227 -11.382 2.738 812 HE3 TRP 98 HE3 TRP 98 1.654 -8.634 -0.125 813 HZ2 TRP 98 HZ2 TRP 98 2.570 -11.933 3.494 814 HZ3 TRP 98 HZ3 TRP 98 -0.180 -9.678 1.137 815 HH2 TRP 98 HH2 TRP 98 0.269 -11.294 2.910 816 H GLN 99 H GLN 99 8.059 -9.954 -0.808 817 HA GLN 99 HA GLN 99 7.038 -12.230 -2.380 818 HB2 GLN 99 2HB GLN 99 9.253 -11.395 -3.077 819 HB3 GLN 99 1HB GLN 99 9.865 -11.653 -1.448 820 HG2 GLN 99 2HG GLN 99 9.418 -14.078 -1.706 821 HG3 GLN 99 1HG GLN 99 8.916 -13.781 -3.369 822 HE21 GLN 99 1HE2 GLN 99 10.488 -13.226 -4.903 823 HE22 GLN 99 2HE2 GLN 99 12.169 -13.480 -4.618 824 HA PRO 100 HA PRO 100 6.552 -13.749 1.940 825 HB2 PRO 100 2HB PRO 100 4.309 -15.181 1.524 826 HB3 PRO 100 1HB PRO 100 4.261 -13.428 1.741 827 HG2 PRO 100 2HG PRO 100 4.142 -15.026 -0.791 828 HG3 PRO 100 1HG PRO 100 3.186 -13.610 -0.319 829 HD2 PRO 100 2HD PRO 100 5.366 -13.489 -1.978 830 HD3 PRO 100 1HD PRO 100 4.830 -12.137 -0.961 831 H LEU 101 H LEU 101 7.122 -15.166 -1.081 832 HA LEU 101 HA LEU 101 7.290 -17.911 -0.123 833 HB2 LEU 101 2HB LEU 101 7.933 -16.751 -2.841 834 HB3 LEU 101 1HB LEU 101 7.801 -18.458 -2.451 835 HG LEU 101 HG LEU 101 5.532 -16.456 -2.338 836 HD11 LEU 101 1HD1 LEU 101 4.647 -17.682 -4.269 837 HD12 LEU 101 2HD1 LEU 101 6.120 -18.651 -4.319 838 HD13 LEU 101 3HD1 LEU 101 6.195 -16.914 -4.621 839 HD21 LEU 101 3HD2 LEU 101 5.258 -18.217 -0.676 840 HD22 LEU 101 1HD2 LEU 101 5.527 -19.447 -1.913 841 HD23 LEU 101 2HD2 LEU 101 4.099 -18.416 -1.990 842 H GLU 102 H GLU 102 9.003 -18.099 1.223 843 HA GLU 102 HA GLU 102 11.523 -16.835 0.794 844 HB2 GLU 102 2HB GLU 102 12.248 -18.337 2.710 845 HB3 GLU 102 1HB GLU 102 10.926 -17.228 3.037 846 HG2 GLU 102 2HG GLU 102 9.320 -19.064 2.742 847 HG3 GLU 102 1HG GLU 102 10.656 -20.174 2.438 Start of MODEL 10 1 H1 MET 1 1H MET 1 -15.055 -5.995 14.172 2 H2 MET 1 2H MET 1 -16.531 -5.198 13.979 3 H3 MET 1 3H MET 1 -15.301 -4.478 14.885 4 HA MET 1 HA MET 1 -15.438 -3.426 12.744 5 HB2 MET 1 2HB MET 1 -13.236 -3.742 13.863 6 HB3 MET 1 1HB MET 1 -13.019 -5.239 12.970 7 HG2 MET 1 2HG MET 1 -11.737 -3.482 11.952 8 HG3 MET 1 1HG MET 1 -13.039 -3.967 10.867 9 HE1 MET 1 3HE MET 1 -11.169 -1.171 11.016 10 HE2 MET 1 1HE MET 1 -12.375 -0.032 10.417 11 HE3 MET 1 2HE MET 1 -12.192 -1.609 9.648 12 H ASP 2 H ASP 2 -15.806 -3.562 10.549 13 HA ASP 2 HA ASP 2 -17.141 -5.707 9.463 14 HB2 ASP 2 2HB ASP 2 -15.512 -3.611 8.001 15 HB3 ASP 2 1HB ASP 2 -16.697 -4.670 7.240 16 H GLN 3 H GLN 3 -16.626 -7.629 8.583 17 HA GLN 3 HA GLN 3 -14.121 -8.798 8.908 18 HB2 GLN 3 2HB GLN 3 -16.430 -9.592 7.130 19 HB3 GLN 3 1HB GLN 3 -15.003 -10.597 7.356 20 HG2 GLN 3 2HG GLN 3 -16.820 -9.683 9.584 21 HG3 GLN 3 1HG GLN 3 -16.922 -11.248 8.783 22 HE21 GLN 3 1HE2 GLN 3 -14.082 -11.632 8.538 23 HE22 GLN 3 2HE2 GLN 3 -13.492 -11.962 10.125 24 H PHE 4 H PHE 4 -15.474 -7.242 6.019 25 HA PHE 4 HA PHE 4 -13.487 -7.897 4.173 26 HB2 PHE 4 2HB PHE 4 -15.475 -6.752 3.430 27 HB3 PHE 4 1HB PHE 4 -15.129 -5.367 4.462 28 HD1 PHE 4 HD1 PHE 4 -13.669 -7.297 1.621 29 HD2 PHE 4 HD2 PHE 4 -14.061 -3.520 3.550 30 HE1 PHE 4 HE1 PHE 4 -12.453 -6.228 -0.229 31 HE2 PHE 4 HE2 PHE 4 -12.843 -2.447 1.703 32 HZ PHE 4 HZ PHE 4 -12.038 -3.802 -0.189 33 H LEU 5 H LEU 5 -13.664 -5.039 6.278 34 HA LEU 5 HA LEU 5 -11.138 -3.981 5.638 35 HB2 LEU 5 2HB LEU 5 -12.716 -3.648 8.198 36 HB3 LEU 5 1HB LEU 5 -11.436 -2.591 7.630 37 HG LEU 5 HG LEU 5 -14.091 -3.008 6.236 38 HD11 LEU 5 1HD1 LEU 5 -14.634 -0.751 6.975 39 HD12 LEU 5 2HD1 LEU 5 -13.112 -0.661 7.862 40 HD13 LEU 5 3HD1 LEU 5 -14.353 -1.818 8.350 41 HD21 LEU 5 3HD2 LEU 5 -11.821 -1.100 5.654 42 HD22 LEU 5 1HD2 LEU 5 -13.397 -1.086 4.860 43 HD23 LEU 5 2HD2 LEU 5 -12.322 -2.469 4.663 44 H VAL 6 H VAL 6 -12.169 -6.111 8.294 45 HA VAL 6 HA VAL 6 -9.771 -6.237 9.708 46 HB VAL 6 HB VAL 6 -11.878 -8.387 9.369 47 HG11 VAL 6 1HG1 VAL 6 -9.773 -9.383 10.119 48 HG12 VAL 6 2HG1 VAL 6 -10.966 -9.390 11.418 49 HG13 VAL 6 3HG1 VAL 6 -9.664 -8.199 11.422 50 HG21 VAL 6 3HG2 VAL 6 -11.448 -6.377 11.584 51 HG22 VAL 6 1HG2 VAL 6 -12.713 -7.604 11.522 52 HG23 VAL 6 2HG2 VAL 6 -12.701 -6.289 10.346 53 H GLN 7 H GLN 7 -10.912 -8.420 7.107 54 HA GLN 7 HA GLN 7 -8.708 -10.169 7.229 55 HB2 GLN 7 2HB GLN 7 -10.596 -9.624 4.930 56 HB3 GLN 7 1HB GLN 7 -9.465 -10.971 5.002 57 HG2 GLN 7 2HG GLN 7 -11.803 -10.473 6.838 58 HG3 GLN 7 1HG GLN 7 -11.673 -11.723 5.603 59 HE21 GLN 7 1HE2 GLN 7 -10.687 -10.715 8.770 60 HE22 GLN 7 2HE2 GLN 7 -9.998 -12.219 9.259 61 H ILE 8 H ILE 8 -9.345 -7.477 4.939 62 HA ILE 8 HA ILE 8 -6.976 -7.788 3.461 63 HB ILE 8 HB ILE 8 -7.279 -5.456 2.705 64 HG12 ILE 8 2HG1 ILE 8 -9.577 -5.395 4.685 65 HG13 ILE 8 1HG1 ILE 8 -8.088 -4.470 4.817 66 HG21 ILE 8 1HG2 ILE 8 -9.817 -7.098 2.762 67 HG22 ILE 8 2HG2 ILE 8 -8.488 -7.267 1.613 68 HG23 ILE 8 3HG2 ILE 8 -9.459 -5.795 1.626 69 HD11 ILE 8 3HD1 ILE 8 -10.174 -4.178 2.668 70 HD12 ILE 8 1HD1 ILE 8 -8.669 -3.264 2.767 71 HD13 ILE 8 2HD1 ILE 8 -9.895 -3.082 4.020 72 H PHE 9 H PHE 9 -7.606 -5.698 6.302 73 HA PHE 9 HA PHE 9 -4.999 -4.606 6.465 74 HB2 PHE 9 2HB PHE 9 -7.016 -5.076 8.681 75 HB3 PHE 9 1HB PHE 9 -5.584 -4.065 8.817 76 HD1 PHE 9 HD1 PHE 9 -6.181 -3.163 5.727 77 HD2 PHE 9 HD2 PHE 9 -8.272 -3.052 9.442 78 HE1 PHE 9 HE1 PHE 9 -7.470 -1.223 4.945 79 HE2 PHE 9 HE2 PHE 9 -9.564 -1.113 8.656 80 HZ PHE 9 HZ PHE 9 -9.167 -0.197 6.405 81 H ALA 10 H ALA 10 -6.452 -7.497 7.895 82 HA ALA 10 HA ALA 10 -4.304 -8.302 9.515 83 HB1 ALA 10 3HB ALA 10 -6.574 -9.228 9.701 84 HB2 ALA 10 1HB ALA 10 -5.355 -10.493 9.553 85 HB3 ALA 10 2HB ALA 10 -6.351 -10.062 8.162 86 H VAL 11 H VAL 11 -4.726 -8.480 6.078 87 HA VAL 11 HA VAL 11 -2.519 -10.331 5.691 88 HB VAL 11 HB VAL 11 -4.017 -8.634 3.670 89 HG11 VAL 11 1HG1 VAL 11 -2.033 -10.879 3.245 90 HG12 VAL 11 2HG1 VAL 11 -1.800 -9.180 2.830 91 HG13 VAL 11 3HG1 VAL 11 -3.012 -10.137 1.980 92 HG21 VAL 11 3HG2 VAL 11 -5.159 -10.713 3.069 93 HG22 VAL 11 1HG2 VAL 11 -5.435 -10.312 4.763 94 HG23 VAL 11 2HG2 VAL 11 -4.280 -11.573 4.333 95 H ILE 12 H ILE 12 -3.089 -6.843 5.429 96 HA ILE 12 HA ILE 12 -0.737 -6.038 4.184 97 HB ILE 12 HB ILE 12 -2.352 -4.553 6.272 98 HG12 ILE 12 2HG1 ILE 12 -2.418 -4.412 3.243 99 HG13 ILE 12 1HG1 ILE 12 -3.608 -5.235 4.243 100 HG21 ILE 12 1HG2 ILE 12 -0.125 -3.577 6.071 101 HG22 ILE 12 2HG2 ILE 12 -1.339 -2.505 5.374 102 HG23 ILE 12 3HG2 ILE 12 -0.308 -3.478 4.321 103 HD11 ILE 12 3HD1 ILE 12 -4.242 -3.108 5.251 104 HD12 ILE 12 1HD1 ILE 12 -4.412 -3.068 3.495 105 HD13 ILE 12 2HD1 ILE 12 -3.037 -2.279 4.266 106 H HIS 13 H HIS 13 -1.293 -6.592 7.664 107 HA HIS 13 HA HIS 13 1.112 -5.529 8.622 108 HB2 HIS 13 2HB HIS 13 -0.670 -7.703 9.707 109 HB3 HIS 13 1HB HIS 13 0.773 -7.172 10.563 110 HD2 HIS 13 HD2 HIS 13 -2.874 -6.330 10.387 111 HE1 HIS 13 HE1 HIS 13 -0.923 -2.898 11.915 112 HE2 HIS 13 HE2 HIS 13 -3.114 -4.155 11.779 113 H GLN 14 H GLN 14 0.788 -8.295 6.664 114 HA GLN 14 HA GLN 14 3.141 -9.657 7.700 115 HB2 GLN 14 2HB GLN 14 1.157 -10.242 5.533 116 HB3 GLN 14 1HB GLN 14 2.716 -11.050 5.498 117 HG2 GLN 14 2HG GLN 14 1.038 -12.436 6.565 118 HG3 GLN 14 1HG GLN 14 2.303 -11.988 7.700 119 HE21 GLN 14 1HE2 GLN 14 -0.275 -9.863 6.701 120 HE22 GLN 14 2HE2 GLN 14 -1.072 -9.809 8.229 121 H ILE 15 H ILE 15 2.652 -7.049 5.651 122 HA ILE 15 HA ILE 15 4.782 -7.535 3.782 123 HB ILE 15 HB ILE 15 3.489 -4.896 4.531 124 HG12 ILE 15 2HG1 ILE 15 2.845 -6.754 2.218 125 HG13 ILE 15 1HG1 ILE 15 1.869 -6.599 3.674 126 HG21 ILE 15 1HG2 ILE 15 4.324 -4.125 2.345 127 HG22 ILE 15 2HG2 ILE 15 5.134 -5.676 2.115 128 HG23 ILE 15 3HG2 ILE 15 5.642 -4.601 3.419 129 HD11 ILE 15 3HD1 ILE 15 1.423 -4.264 3.129 130 HD12 ILE 15 1HD1 ILE 15 0.922 -5.340 1.825 131 HD13 ILE 15 2HD1 ILE 15 2.414 -4.411 1.676 132 HA PRO 16 HA PRO 16 7.945 -6.462 6.824 133 HB2 PRO 16 2HB PRO 16 10.108 -7.043 5.335 134 HB3 PRO 16 1HB PRO 16 9.056 -8.311 5.977 135 HG2 PRO 16 2HG PRO 16 9.109 -7.113 3.224 136 HG3 PRO 16 1HG PRO 16 9.011 -8.822 3.695 137 HD2 PRO 16 2HD PRO 16 6.831 -7.347 2.977 138 HD3 PRO 16 1HD PRO 16 6.748 -8.704 4.119 139 H LYS 17 H LYS 17 9.668 -4.909 7.078 140 HA LYS 17 HA LYS 17 9.150 -2.396 5.902 141 HB2 LYS 17 2HB LYS 17 10.152 -2.770 8.160 142 HB3 LYS 17 1HB LYS 17 11.644 -3.271 7.376 143 HG2 LYS 17 2HG LYS 17 11.805 -1.032 6.333 144 HG3 LYS 17 1HG LYS 17 10.364 -0.546 7.230 145 HD2 LYS 17 2HD LYS 17 11.609 -1.174 9.339 146 HD3 LYS 17 1HD LYS 17 13.054 -1.340 8.340 147 HE2 LYS 17 2HE LYS 17 13.128 0.840 9.268 148 HE3 LYS 17 1HE LYS 17 12.657 1.037 7.580 149 HZ1 LYS 17 3HZ LYS 17 10.322 1.160 8.356 150 HZ2 LYS 17 1HZ LYS 17 11.285 2.423 8.930 151 HZ3 LYS 17 2HZ LYS 17 10.874 1.142 9.950 152 H GLY 18 H GLY 18 9.503 -2.014 3.784 153 HA2 GLY 18 2HA GLY 18 11.483 -1.271 2.393 154 HA3 GLY 18 1HA GLY 18 12.071 -2.910 2.611 155 H LYS 19 H LYS 19 9.017 -3.655 2.361 156 HA LYS 19 HA LYS 19 9.007 -3.635 -0.596 157 HB2 LYS 19 2HB LYS 19 8.043 -5.776 1.309 158 HB3 LYS 19 1HB LYS 19 7.675 -5.775 -0.409 159 HG2 LYS 19 2HG LYS 19 10.393 -6.012 0.872 160 HG3 LYS 19 1HG LYS 19 9.511 -7.256 -0.018 161 HD2 LYS 19 2HD LYS 19 9.613 -5.749 -2.034 162 HD3 LYS 19 1HD LYS 19 10.692 -4.698 -1.118 163 HE2 LYS 19 2HE LYS 19 12.070 -6.081 -2.466 164 HE3 LYS 19 1HE LYS 19 12.205 -6.694 -0.818 165 HZ1 LYS 19 3HZ LYS 19 10.574 -8.408 -1.394 166 HZ2 LYS 19 1HZ LYS 19 11.953 -8.500 -2.368 167 HZ3 LYS 19 2HZ LYS 19 10.523 -7.838 -2.987 168 H VAL 20 H VAL 20 6.882 -3.846 -1.611 169 HA VAL 20 HA VAL 20 4.618 -2.777 -0.069 170 HB VAL 20 HB VAL 20 3.991 -1.282 -1.908 171 HG11 VAL 20 1HG1 VAL 20 6.828 -0.787 -0.993 172 HG12 VAL 20 2HG1 VAL 20 5.363 -0.367 -0.104 173 HG13 VAL 20 3HG1 VAL 20 5.720 0.424 -1.639 174 HG21 VAL 20 3HG2 VAL 20 6.600 -2.101 -3.203 175 HG22 VAL 20 1HG2 VAL 20 5.518 -0.831 -3.776 176 HG23 VAL 20 2HG2 VAL 20 4.982 -2.512 -3.777 177 H SER 21 H SER 21 2.523 -3.128 -1.165 178 HA SER 21 HA SER 21 2.530 -5.160 -3.298 179 HB2 SER 21 2HB SER 21 0.781 -6.454 -2.188 180 HB3 SER 21 1HB SER 21 2.179 -6.329 -1.121 181 HG SER 21 HG SER 21 0.460 -5.843 0.137 182 H THR 22 H THR 22 0.210 -5.422 -4.190 183 HA THR 22 HA THR 22 -0.967 -2.723 -4.430 184 HB THR 22 HB THR 22 -1.867 -3.374 -6.576 185 HG1 THR 22 HG1 THR 22 -0.678 -5.937 -6.144 186 HG21 THR 22 3HG2 THR 22 0.460 -2.582 -6.553 187 HG22 THR 22 1HG2 THR 22 0.194 -3.757 -7.842 188 HG23 THR 22 2HG2 THR 22 1.025 -4.244 -6.364 189 H TYR 23 H TYR 23 -3.255 -2.482 -4.520 190 HA TYR 23 HA TYR 23 -4.714 -3.707 -2.528 191 HB2 TYR 23 2HB TYR 23 -5.850 -2.513 -5.070 192 HB3 TYR 23 1HB TYR 23 -6.727 -2.761 -3.564 193 HD1 TYR 23 HD2 TYR 23 -5.469 -1.663 -1.444 194 HD2 TYR 23 HD1 TYR 23 -5.096 -0.369 -5.483 195 HE1 TYR 23 HE2 TYR 23 -4.754 0.550 -0.666 196 HE2 TYR 23 HE1 TYR 23 -4.377 1.847 -4.708 197 HH TYR 23 HH TYR 23 -3.463 2.458 -1.494 198 H GLY 24 H GLY 24 -4.598 -4.621 -5.954 199 HA2 GLY 24 2HA GLY 24 -6.578 -6.593 -5.976 200 HA3 GLY 24 1HA GLY 24 -5.176 -6.567 -7.033 201 H GLU 25 H GLU 25 -3.144 -6.881 -5.120 202 HA GLU 25 HA GLU 25 -3.146 -9.692 -4.746 203 HB2 GLU 25 2HB GLU 25 -1.340 -7.533 -3.630 204 HB3 GLU 25 1HB GLU 25 -1.034 -9.256 -3.443 205 HG2 GLU 25 2HG GLU 25 -0.781 -9.539 -5.806 206 HG3 GLU 25 1HG GLU 25 -1.306 -7.885 -6.109 207 H ILE 26 H ILE 26 -3.330 -7.021 -2.379 208 HA ILE 26 HA ILE 26 -3.637 -8.555 -0.067 209 HB ILE 26 HB ILE 26 -4.805 -5.821 -0.660 210 HG12 ILE 26 2HG1 ILE 26 -2.343 -5.950 -0.928 211 HG13 ILE 26 1HG1 ILE 26 -2.802 -4.935 0.435 212 HG21 ILE 26 1HG2 ILE 26 -4.810 -5.522 1.803 213 HG22 ILE 26 2HG2 ILE 26 -4.378 -7.223 1.984 214 HG23 ILE 26 3HG2 ILE 26 -5.921 -6.777 1.255 215 HD11 ILE 26 3HD1 ILE 26 -0.893 -6.319 0.975 216 HD12 ILE 26 1HD1 ILE 26 -1.815 -7.773 0.595 217 HD13 ILE 26 2HD1 ILE 26 -2.283 -6.767 1.966 218 H ALA 27 H ALA 27 -6.165 -7.223 -2.202 219 HA ALA 27 HA ALA 27 -8.388 -8.198 -0.768 220 HB1 ALA 27 3HB ALA 27 -8.171 -7.611 -3.725 221 HB2 ALA 27 1HB ALA 27 -8.565 -6.441 -2.465 222 HB3 ALA 27 2HB ALA 27 -9.669 -7.772 -2.809 223 H LYS 28 H LYS 28 -6.628 -9.600 -3.541 224 HA LYS 28 HA LYS 28 -8.184 -11.915 -3.841 225 HB2 LYS 28 2HB LYS 28 -6.553 -11.129 -5.511 226 HB3 LYS 28 1HB LYS 28 -5.235 -11.542 -4.422 227 HG2 LYS 28 2HG LYS 28 -5.832 -13.898 -4.557 228 HG3 LYS 28 1HG LYS 28 -7.205 -13.504 -5.595 229 HD2 LYS 28 2HD LYS 28 -5.649 -12.601 -7.284 230 HD3 LYS 28 1HD LYS 28 -4.287 -13.038 -6.252 231 HE2 LYS 28 2HE LYS 28 -6.301 -14.978 -7.398 232 HE3 LYS 28 1HE LYS 28 -4.691 -14.685 -8.049 233 HZ1 LYS 28 3HZ LYS 28 -5.227 -15.694 -5.306 234 HZ2 LYS 28 1HZ LYS 28 -3.719 -15.540 -6.054 235 HZ3 LYS 28 2HZ LYS 28 -4.833 -16.671 -6.629 236 H MET 29 H MET 29 -5.331 -11.329 -1.791 237 HA MET 29 HA MET 29 -5.087 -14.006 -0.861 238 HB2 MET 29 2HB MET 29 -4.125 -11.423 0.396 239 HB3 MET 29 1HB MET 29 -3.648 -13.033 0.918 240 HG2 MET 29 2HG MET 29 -2.659 -13.435 -1.302 241 HG3 MET 29 1HG MET 29 -3.095 -11.792 -1.771 242 HE1 MET 29 3HE MET 29 0.736 -11.365 -1.434 243 HE2 MET 29 1HE MET 29 -0.694 -11.087 -2.429 244 HE3 MET 29 2HE MET 29 -0.137 -12.733 -2.123 245 H ALA 30 H ALA 30 -6.901 -11.214 0.297 246 HA ALA 30 HA ALA 30 -7.787 -12.479 2.727 247 HB1 ALA 30 3HB ALA 30 -8.876 -10.036 1.325 248 HB2 ALA 30 1HB ALA 30 -7.595 -10.038 2.537 249 HB3 ALA 30 2HB ALA 30 -9.230 -10.532 2.980 250 H GLY 31 H GLY 31 -8.934 -12.333 -0.565 251 HA2 GLY 31 2HA GLY 31 -10.415 -14.001 -1.432 252 HA3 GLY 31 1HA GLY 31 -11.156 -14.133 0.152 253 H TYR 32 H TYR 32 -10.530 -11.248 -1.854 254 HA TYR 32 HA TYR 32 -13.431 -10.880 -2.201 255 HB2 TYR 32 2HB TYR 32 -11.517 -8.781 -1.149 256 HB3 TYR 32 1HB TYR 32 -13.170 -8.451 -1.655 257 HD1 TYR 32 HD1 TYR 32 -15.071 -9.293 -0.324 258 HD2 TYR 32 HD2 TYR 32 -11.048 -9.843 0.973 259 HE1 TYR 32 HE1 TYR 32 -15.874 -9.821 1.938 260 HE2 TYR 32 HE2 TYR 32 -11.847 -10.370 3.239 261 HH TYR 32 HH TYR 32 -13.814 -9.969 4.644 262 HA PRO 33 HA PRO 33 -11.198 -10.243 -6.220 263 HB2 PRO 33 2HB PRO 33 -13.659 -11.439 -7.332 264 HB3 PRO 33 1HB PRO 33 -11.978 -11.935 -7.544 265 HG2 PRO 33 2HG PRO 33 -13.705 -13.381 -6.070 266 HG3 PRO 33 1HG PRO 33 -11.989 -13.250 -5.638 267 HD2 PRO 33 2HD PRO 33 -14.350 -11.792 -4.480 268 HD3 PRO 33 1HD PRO 33 -12.966 -12.535 -3.646 269 H GLY 34 H GLY 34 -11.322 -8.299 -7.189 270 HA2 GLY 34 2HA GLY 34 -12.322 -6.581 -8.434 271 HA3 GLY 34 1HA GLY 34 -13.905 -7.181 -7.970 272 H TYR 35 H TYR 35 -12.414 -7.076 -5.108 273 HA TYR 35 HA TYR 35 -13.588 -4.464 -4.500 274 HB2 TYR 35 2HB TYR 35 -12.740 -6.760 -2.726 275 HB3 TYR 35 1HB TYR 35 -13.342 -5.224 -2.108 276 HD1 TYR 35 HD2 TYR 35 -15.691 -4.597 -2.398 277 HD2 TYR 35 HD1 TYR 35 -14.242 -8.350 -3.794 278 HE1 TYR 35 HE2 TYR 35 -18.004 -5.399 -2.625 279 HE2 TYR 35 HE1 TYR 35 -16.550 -9.156 -4.033 280 HH TYR 35 HH TYR 35 -18.787 -8.657 -3.099 281 H ALA 36 H ALA 36 -10.674 -5.209 -5.544 282 HA ALA 36 HA ALA 36 -8.776 -4.284 -3.741 283 HB1 ALA 36 3HB ALA 36 -7.406 -3.721 -5.678 284 HB2 ALA 36 1HB ALA 36 -8.824 -3.810 -6.723 285 HB3 ALA 36 2HB ALA 36 -8.227 -5.262 -5.917 286 H ARG 37 H ARG 37 -10.638 -2.371 -6.089 287 HA ARG 37 HA ARG 37 -9.827 0.191 -5.444 288 HB2 ARG 37 2HB ARG 37 -12.195 0.831 -6.182 289 HB3 ARG 37 1HB ARG 37 -11.223 -0.091 -7.322 290 HG2 ARG 37 2HG ARG 37 -12.371 -2.164 -6.515 291 HG3 ARG 37 1HG ARG 37 -13.440 -1.133 -5.565 292 HD2 ARG 37 2HD ARG 37 -14.343 -0.126 -7.522 293 HD3 ARG 37 1HD ARG 37 -13.101 -0.848 -8.547 294 HE ARG 37 HE ARG 37 -14.353 -2.991 -7.438 295 HH11 ARG 37 1HH1 ARG 37 -15.460 -0.237 -9.176 296 HH12 ARG 37 2HH1 ARG 37 -16.782 -1.087 -9.895 297 HH21 ARG 37 1HH2 ARG 37 -16.049 -4.073 -8.373 298 HH22 ARG 37 2HH2 ARG 37 -17.091 -3.235 -9.474 299 H HIS 38 H HIS 38 -12.198 -1.832 -3.746 300 HA HIS 38 HA HIS 38 -13.116 0.205 -1.976 301 HB2 HIS 38 2HB HIS 38 -13.247 -2.815 -1.779 302 HB3 HIS 38 1HB HIS 38 -14.040 -1.720 -0.651 303 HD2 HIS 38 HD2 HIS 38 -14.295 -2.716 -4.450 304 HE1 HIS 38 HE1 HIS 38 -17.918 -0.949 -3.171 305 HE2 HIS 38 HE2 HIS 38 -16.664 -1.908 -5.144 306 H VAL 39 H VAL 39 -10.553 -2.235 -1.773 307 HA VAL 39 HA VAL 39 -9.737 -1.835 0.875 308 HB VAL 39 HB VAL 39 -7.936 -2.377 -1.506 309 HG11 VAL 39 1HG1 VAL 39 -7.503 -2.915 1.439 310 HG12 VAL 39 2HG1 VAL 39 -6.676 -1.694 0.472 311 HG13 VAL 39 3HG1 VAL 39 -6.423 -3.405 0.134 312 HG21 VAL 39 3HG2 VAL 39 -8.213 -4.749 -0.962 313 HG22 VAL 39 1HG2 VAL 39 -9.760 -4.003 -1.369 314 HG23 VAL 39 2HG2 VAL 39 -9.353 -4.328 0.317 315 H GLY 40 H GLY 40 -8.915 -0.036 -2.077 316 HA2 GLY 40 2HA GLY 40 -7.164 1.861 -0.956 317 HA3 GLY 40 1HA GLY 40 -8.160 2.118 -2.380 318 H LYS 41 H LYS 41 -10.711 1.906 -1.244 319 HA LYS 41 HA LYS 41 -11.195 4.439 -0.147 320 HB2 LYS 41 2HB LYS 41 -12.871 1.929 0.106 321 HB3 LYS 41 1HB LYS 41 -13.431 3.556 0.468 322 HG2 LYS 41 2HG LYS 41 -13.093 4.187 -1.883 323 HG3 LYS 41 1HG LYS 41 -12.559 2.539 -2.236 324 HD2 LYS 41 2HD LYS 41 -14.741 1.669 -1.555 325 HD3 LYS 41 1HD LYS 41 -15.278 3.299 -1.144 326 HE2 LYS 41 2HE LYS 41 -14.981 3.961 -3.504 327 HE3 LYS 41 1HE LYS 41 -14.521 2.302 -3.893 328 HZ1 LYS 41 3HZ LYS 41 -16.846 2.723 -4.388 329 HZ2 LYS 41 1HZ LYS 41 -17.139 3.151 -2.777 330 HZ3 LYS 41 2HZ LYS 41 -16.702 1.567 -3.165 331 H ALA 42 H ALA 42 -10.639 1.329 1.408 332 HA ALA 42 HA ALA 42 -11.254 2.080 4.060 333 HB1 ALA 42 3HB ALA 42 -9.360 -0.069 3.101 334 HB2 ALA 42 1HB ALA 42 -11.100 -0.251 3.323 335 HB3 ALA 42 2HB ALA 42 -10.062 0.055 4.715 336 H LEU 43 H LEU 43 -8.044 1.753 2.479 337 HA LEU 43 HA LEU 43 -6.561 2.753 4.663 338 HB2 LEU 43 2HB LEU 43 -5.836 2.809 1.728 339 HB3 LEU 43 1HB LEU 43 -4.719 3.053 3.059 340 HG LEU 43 HG LEU 43 -6.182 0.496 2.371 341 HD11 LEU 43 1HD1 LEU 43 -3.236 1.142 2.396 342 HD12 LEU 43 2HD1 LEU 43 -4.245 1.047 0.956 343 HD13 LEU 43 3HD1 LEU 43 -3.976 -0.393 1.936 344 HD21 LEU 43 3HD2 LEU 43 -4.320 1.048 4.689 345 HD22 LEU 43 1HD2 LEU 43 -4.977 -0.527 4.239 346 HD23 LEU 43 2HD2 LEU 43 -6.055 0.748 4.802 347 H GLY 44 H GLY 44 -8.145 4.412 1.985 348 HA2 GLY 44 2HA GLY 44 -7.027 6.965 2.291 349 HA3 GLY 44 1HA GLY 44 -8.628 6.632 1.654 350 H ASN 45 H ASN 45 -9.286 5.305 4.337 351 HA ASN 45 HA ASN 45 -10.248 7.718 5.642 352 HB2 ASN 45 2HB ASN 45 -11.667 5.661 5.358 353 HB3 ASN 45 1HB ASN 45 -10.611 4.828 6.493 354 HD21 ASN 45 1HD2 ASN 45 -12.168 4.501 8.045 355 HD22 ASN 45 2HD2 ASN 45 -12.882 5.787 8.950 356 H LEU 46 H LEU 46 -7.474 5.833 5.839 357 HA LEU 46 HA LEU 46 -7.046 6.111 8.702 358 HB2 LEU 46 2HB LEU 46 -5.289 4.980 6.520 359 HB3 LEU 46 1HB LEU 46 -4.883 4.975 8.228 360 HG LEU 46 HG LEU 46 -7.252 3.545 7.000 361 HD11 LEU 46 1HD1 LEU 46 -4.644 2.450 8.053 362 HD12 LEU 46 2HD1 LEU 46 -5.111 2.554 6.355 363 HD13 LEU 46 3HD1 LEU 46 -6.007 1.505 7.452 364 HD21 LEU 46 3HD2 LEU 46 -7.704 4.231 9.293 365 HD22 LEU 46 1HD2 LEU 46 -6.170 3.536 9.826 366 HD23 LEU 46 2HD2 LEU 46 -7.453 2.488 9.218 367 HA PRO 47 HA PRO 47 -4.572 9.823 8.184 368 HB2 PRO 47 2HB PRO 47 -3.960 10.257 10.738 369 HB3 PRO 47 1HB PRO 47 -5.641 10.368 10.192 370 HG2 PRO 47 2HG PRO 47 -4.262 8.136 11.642 371 HG3 PRO 47 1HG PRO 47 -5.886 8.801 11.900 372 HD2 PRO 47 2HD PRO 47 -5.308 6.509 10.422 373 HD3 PRO 47 1HD PRO 47 -6.803 7.457 10.292 374 H GLU 48 H GLU 48 -2.340 10.597 8.843 375 HA GLU 48 HA GLU 48 -0.364 8.654 8.235 376 HB2 GLU 48 2HB GLU 48 1.255 10.496 8.780 377 HB3 GLU 48 1HB GLU 48 0.035 10.911 7.585 378 HG2 GLU 48 2HG GLU 48 -1.257 12.066 9.350 379 HG3 GLU 48 1HG GLU 48 0.038 11.711 10.492 380 H GLY 49 H GLY 49 -1.885 9.430 11.183 381 HA2 GLY 49 2HA GLY 49 0.306 8.356 12.819 382 HA3 GLY 49 1HA GLY 49 -1.176 9.085 13.415 383 H SER 50 H SER 50 -1.130 6.556 10.962 384 HA SER 50 HA SER 50 -2.590 4.782 12.788 385 HB2 SER 50 2HB SER 50 -3.643 5.070 10.633 386 HB3 SER 50 1HB SER 50 -2.147 4.668 9.791 387 HG SER 50 HG SER 50 -2.994 2.737 9.788 388 H LYS 51 H LYS 51 -1.760 2.913 13.602 389 HA LYS 51 HA LYS 51 0.986 2.227 13.246 390 HB2 LYS 51 2HB LYS 51 0.436 0.192 14.573 391 HB3 LYS 51 1HB LYS 51 -0.074 1.690 15.339 392 HG2 LYS 51 2HG LYS 51 -2.370 1.289 14.709 393 HG3 LYS 51 1HG LYS 51 -1.902 -0.135 13.778 394 HD2 LYS 51 2HD LYS 51 -1.240 -1.302 15.769 395 HD3 LYS 51 1HD LYS 51 -1.444 0.149 16.750 396 HE2 LYS 51 2HE LYS 51 -3.691 -1.224 15.272 397 HE3 LYS 51 1HE LYS 51 -3.298 -1.515 16.965 398 HZ1 LYS 51 3HZ LYS 51 -4.140 1.076 15.784 399 HZ2 LYS 51 1HZ LYS 51 -3.683 0.850 17.395 400 HZ3 LYS 51 2HZ LYS 51 -5.066 0.086 16.794 401 H LEU 52 H LEU 52 -1.965 1.204 11.701 402 HA LEU 52 HA LEU 52 -0.891 -1.083 10.355 403 HB2 LEU 52 2HB LEU 52 -3.277 -0.892 10.672 404 HB3 LEU 52 1HB LEU 52 -3.314 0.644 9.829 405 HG LEU 52 HG LEU 52 -2.612 -0.582 7.738 406 HD11 LEU 52 1HD1 LEU 52 -2.970 -3.013 7.672 407 HD12 LEU 52 2HD1 LEU 52 -3.212 -3.017 9.420 408 HD13 LEU 52 3HD1 LEU 52 -1.646 -2.568 8.747 409 HD21 LEU 52 3HD2 LEU 52 -4.915 0.087 8.111 410 HD22 LEU 52 1HD2 LEU 52 -5.219 -1.393 9.022 411 HD23 LEU 52 2HD2 LEU 52 -4.851 -1.474 7.299 412 HA PRO 53 HA PRO 53 1.462 1.465 7.475 413 HB2 PRO 53 2HB PRO 53 2.469 -0.571 5.957 414 HB3 PRO 53 1HB PRO 53 3.129 -0.115 7.533 415 HG2 PRO 53 2HG PRO 53 1.226 -2.329 6.844 416 HG3 PRO 53 1HG PRO 53 2.637 -2.361 7.920 417 HD2 PRO 53 2HD PRO 53 0.114 -2.146 8.873 418 HD3 PRO 53 1HD PRO 53 1.488 -1.345 9.666 419 H TRP 54 H TRP 54 -0.311 2.450 6.464 420 HA TRP 54 HA TRP 54 -1.766 1.123 4.358 421 HB2 TRP 54 2HB TRP 54 -2.720 3.436 3.979 422 HB3 TRP 54 1HB TRP 54 -2.954 2.793 5.599 423 HD1 TRP 54 HD1 TRP 54 -1.760 4.047 7.611 424 HE1 TRP 54 HE1 TRP 54 -0.602 6.334 7.810 425 HE3 TRP 54 HE3 TRP 54 -1.234 5.124 2.637 426 HZ2 TRP 54 HZ2 TRP 54 0.407 8.343 6.075 427 HZ3 TRP 54 HZ3 TRP 54 -0.163 7.244 1.997 428 HH2 TRP 54 HH2 TRP 54 0.640 8.816 3.678 429 H PHE 55 H PHE 55 0.998 3.199 4.624 430 HA PHE 55 HA PHE 55 1.195 4.108 1.982 431 HB2 PHE 55 2HB PHE 55 3.645 4.480 2.604 432 HB3 PHE 55 1HB PHE 55 2.435 5.275 3.603 433 HD1 PHE 55 HD2 PHE 55 2.031 4.558 5.896 434 HD2 PHE 55 HD1 PHE 55 5.023 2.690 3.504 435 HE1 PHE 55 HE2 PHE 55 3.017 3.556 7.914 436 HE2 PHE 55 HE1 PHE 55 6.008 1.689 5.524 437 HZ PHE 55 HZ PHE 55 5.008 2.122 7.730 438 H ARG 56 H ARG 56 1.920 0.983 3.268 439 HA ARG 56 HA ARG 56 3.818 0.290 1.181 440 HB2 ARG 56 2HB ARG 56 2.553 -1.380 3.361 441 HB3 ARG 56 1HB ARG 56 3.746 -1.984 2.220 442 HG2 ARG 56 2HG ARG 56 5.370 -0.335 3.074 443 HG3 ARG 56 1HG ARG 56 4.171 0.206 4.250 444 HD2 ARG 56 2HD ARG 56 4.098 -2.093 5.176 445 HD3 ARG 56 1HD ARG 56 5.374 -2.558 4.052 446 HE ARG 56 HE ARG 56 6.466 -0.471 5.373 447 HH11 ARG 56 1HH1 ARG 56 4.955 -3.380 6.428 448 HH12 ARG 56 2HH1 ARG 56 5.858 -3.444 7.896 449 HH21 ARG 56 1HH2 ARG 56 7.634 -0.584 7.266 450 HH22 ARG 56 2HH2 ARG 56 7.364 -1.899 8.359 451 H VAL 57 H VAL 57 0.525 0.591 1.124 452 HA VAL 57 HA VAL 57 0.218 -1.650 -0.788 453 HB VAL 57 HB VAL 57 -2.013 -0.405 0.832 454 HG11 VAL 57 1HG1 VAL 57 -2.733 -1.399 -1.285 455 HG12 VAL 57 2HG1 VAL 57 -3.315 -2.341 0.087 456 HG13 VAL 57 3HG1 VAL 57 -1.937 -2.914 -0.853 457 HG21 VAL 57 3HG2 VAL 57 -0.531 -2.995 1.317 458 HG22 VAL 57 1HG2 VAL 57 -1.974 -2.465 2.182 459 HG23 VAL 57 2HG2 VAL 57 -0.469 -1.554 2.330 460 H ILE 58 H ILE 58 0.337 -0.849 -2.778 461 HA ILE 58 HA ILE 58 -0.957 1.734 -3.394 462 HB ILE 58 HB ILE 58 0.629 1.921 -5.286 463 HG12 ILE 58 2HG1 ILE 58 1.910 -0.548 -4.068 464 HG13 ILE 58 1HG1 ILE 58 1.094 -0.475 -5.627 465 HG21 ILE 58 1HG2 ILE 58 2.598 2.487 -3.943 466 HG22 ILE 58 2HG2 ILE 58 1.946 1.563 -2.590 467 HG23 ILE 58 3HG2 ILE 58 1.111 3.012 -3.152 468 HD11 ILE 58 3HD1 ILE 58 3.626 0.972 -4.877 469 HD12 ILE 58 1HD1 ILE 58 2.803 1.080 -6.433 470 HD13 ILE 58 2HD1 ILE 58 3.492 -0.453 -5.905 471 H ASN 59 H ASN 59 -0.942 1.640 -6.149 472 HA ASN 59 HA ASN 59 -3.170 -0.212 -6.580 473 HB2 ASN 59 2HB ASN 59 -3.674 1.254 -8.540 474 HB3 ASN 59 1HB ASN 59 -3.682 2.099 -6.996 475 HD21 ASN 59 1HD2 ASN 59 -3.227 4.102 -7.767 476 HD22 ASN 59 2HD2 ASN 59 -1.738 4.531 -8.521 477 H SER 60 H SER 60 -3.448 -0.982 -8.922 478 HA SER 60 HA SER 60 -1.372 -2.794 -9.531 479 HB2 SER 60 2HB SER 60 -3.637 -3.368 -10.098 480 HB3 SER 60 1HB SER 60 -3.798 -1.950 -11.132 481 HG SER 60 HG SER 60 -1.896 -4.010 -11.611 482 H GLN 61 H GLN 61 -1.791 0.478 -10.498 483 HA GLN 61 HA GLN 61 -0.247 0.348 -12.920 484 HB2 GLN 61 2HB GLN 61 -0.910 2.728 -11.162 485 HB3 GLN 61 1HB GLN 61 -0.217 2.815 -12.775 486 HG2 GLN 61 2HG GLN 61 -2.257 1.790 -13.693 487 HG3 GLN 61 1HG GLN 61 -2.949 1.749 -12.068 488 HE21 GLN 61 1HE2 GLN 61 -4.661 3.091 -12.666 489 HE22 GLN 61 2HE2 GLN 61 -4.446 4.781 -12.949 490 H GLY 62 H GLY 62 0.553 0.193 -9.633 491 HA2 GLY 62 2HA GLY 62 2.583 0.195 -8.533 492 HA3 GLY 62 1HA GLY 62 3.377 0.406 -10.088 493 H LYS 63 H LYS 63 0.967 2.441 -8.487 494 HA LYS 63 HA LYS 63 2.949 4.608 -8.210 495 HB2 LYS 63 2HB LYS 63 0.263 4.706 -9.565 496 HB3 LYS 63 1HB LYS 63 0.933 6.151 -8.826 497 HG2 LYS 63 2HG LYS 63 2.917 5.940 -10.288 498 HG3 LYS 63 1HG LYS 63 2.159 4.545 -11.067 499 HD2 LYS 63 2HD LYS 63 0.320 5.903 -11.842 500 HD3 LYS 63 1HD LYS 63 0.903 7.291 -10.927 501 HE2 LYS 63 2HE LYS 63 2.880 7.427 -12.335 502 HE3 LYS 63 1HE LYS 63 2.382 5.978 -13.208 503 HZ1 LYS 63 3HZ LYS 63 0.868 8.533 -13.137 504 HZ2 LYS 63 1HZ LYS 63 0.444 7.149 -14.008 505 HZ3 LYS 63 2HZ LYS 63 1.837 8.010 -14.419 506 H ILE 64 H ILE 64 2.315 6.291 -6.703 507 HA ILE 64 HA ILE 64 1.006 5.383 -4.342 508 HB ILE 64 HB ILE 64 1.865 8.157 -5.201 509 HG12 ILE 64 2HG1 ILE 64 3.112 6.157 -3.292 510 HG13 ILE 64 1HG1 ILE 64 3.711 6.563 -4.896 511 HG21 ILE 64 1HG2 ILE 64 1.601 8.818 -2.846 512 HG22 ILE 64 2HG2 ILE 64 0.888 7.244 -2.496 513 HG23 ILE 64 3HG2 ILE 64 0.065 8.361 -3.583 514 HD11 ILE 64 3HD1 ILE 64 4.162 8.844 -4.147 515 HD12 ILE 64 1HD1 ILE 64 5.013 7.650 -3.167 516 HD13 ILE 64 2HD1 ILE 64 3.563 8.434 -2.540 517 H SER 65 H SER 65 -1.124 5.243 -4.026 518 HA SER 65 HA SER 65 -3.029 6.120 -5.928 519 HB2 SER 65 2HB SER 65 -3.478 5.160 -3.089 520 HB3 SER 65 1HB SER 65 -4.716 5.288 -4.339 521 HG SER 65 HG SER 65 -3.492 3.180 -3.901 522 H LEU 66 H LEU 66 -1.790 7.592 -3.019 523 HA LEU 66 HA LEU 66 -3.940 9.479 -2.744 524 HB2 LEU 66 2HB LEU 66 -1.203 9.366 -1.475 525 HB3 LEU 66 1HB LEU 66 -2.434 10.547 -1.063 526 HG LEU 66 HG LEU 66 -2.622 7.553 -0.669 527 HD11 LEU 66 1HD1 LEU 66 -1.185 8.638 0.956 528 HD12 LEU 66 2HD1 LEU 66 -2.690 8.113 1.711 529 HD13 LEU 66 3HD1 LEU 66 -2.448 9.816 1.317 530 HD21 LEU 66 3HD2 LEU 66 -4.656 9.698 -0.039 531 HD22 LEU 66 1HD2 LEU 66 -4.776 7.997 0.410 532 HD23 LEU 66 2HD2 LEU 66 -4.801 8.463 -1.289 533 H LYS 67 H LYS 67 -3.378 11.903 -2.649 534 HA LYS 67 HA LYS 67 -1.848 12.629 -5.062 535 HB2 LYS 67 2HB LYS 67 -3.756 14.035 -5.804 536 HB3 LYS 67 1HB LYS 67 -4.136 12.318 -5.776 537 HG2 LYS 67 2HG LYS 67 -5.171 12.724 -3.490 538 HG3 LYS 67 1HG LYS 67 -5.026 14.446 -3.842 539 HD2 LYS 67 2HD LYS 67 -6.553 12.423 -5.493 540 HD3 LYS 67 1HD LYS 67 -7.265 13.594 -4.382 541 HE2 LYS 67 2HE LYS 67 -6.369 15.425 -5.756 542 HE3 LYS 67 1HE LYS 67 -5.678 14.246 -6.871 543 HZ1 LYS 67 3HZ LYS 67 -8.569 14.551 -6.277 544 HZ2 LYS 67 1HZ LYS 67 -7.891 13.461 -7.377 545 HZ3 LYS 67 2HZ LYS 67 -7.790 15.126 -7.662 546 H GLY 68 H GLY 68 -1.091 14.756 -5.174 547 HA2 GLY 68 2HA GLY 68 -0.331 16.780 -4.397 548 HA3 GLY 68 1HA GLY 68 -1.769 16.839 -3.393 549 H ARG 69 H ARG 69 -1.271 17.174 -1.330 550 HA ARG 69 HA ARG 69 1.307 16.798 -0.227 551 HB2 ARG 69 2HB ARG 69 -1.360 17.191 1.153 552 HB3 ARG 69 1HB ARG 69 0.208 17.294 1.949 553 HG2 ARG 69 2HG ARG 69 0.815 19.187 0.520 554 HG3 ARG 69 1HG ARG 69 -0.755 19.085 -0.283 555 HD2 ARG 69 2HD ARG 69 -0.703 20.849 1.433 556 HD3 ARG 69 1HD ARG 69 -1.888 19.597 1.805 557 HE ARG 69 HE ARG 69 0.288 18.776 3.172 558 HH11 ARG 69 1HH1 ARG 69 -1.316 21.826 3.028 559 HH12 ARG 69 2HH1 ARG 69 -0.928 22.220 4.663 560 HH21 ARG 69 1HH2 ARG 69 0.761 19.287 5.248 561 HH22 ARG 69 2HH2 ARG 69 0.222 20.787 5.918 562 H ASP 70 H ASP 70 -1.655 14.882 -0.083 563 HA ASP 70 HA ASP 70 -0.812 12.907 1.719 564 HB2 ASP 70 2HB ASP 70 -2.719 12.682 -0.630 565 HB3 ASP 70 1HB ASP 70 -2.579 11.507 0.676 566 H LEU 71 H LEU 71 -0.114 13.364 -1.678 567 HA LEU 71 HA LEU 71 0.853 10.767 -2.274 568 HB2 LEU 71 2HB LEU 71 0.187 12.540 -3.929 569 HB3 LEU 71 1HB LEU 71 1.675 13.385 -3.558 570 HG LEU 71 HG LEU 71 1.662 10.565 -4.654 571 HD11 LEU 71 1HD1 LEU 71 1.770 13.148 -6.221 572 HD12 LEU 71 2HD1 LEU 71 0.452 11.974 -6.230 573 HD13 LEU 71 3HD1 LEU 71 2.031 11.529 -6.874 574 HD21 LEU 71 3HD2 LEU 71 3.934 11.166 -5.409 575 HD22 LEU 71 1HD2 LEU 71 3.770 11.255 -3.657 576 HD23 LEU 71 2HD2 LEU 71 3.771 12.734 -4.616 577 H ASP 72 H ASP 72 2.709 13.781 -1.600 578 HA ASP 72 HA ASP 72 5.172 12.366 -1.413 579 HB2 ASP 72 2HB ASP 72 6.134 14.484 -0.604 580 HB3 ASP 72 1HB ASP 72 5.172 14.703 -2.059 581 H ARG 73 H ARG 73 2.669 13.057 0.915 582 HA ARG 73 HA ARG 73 4.091 12.542 3.292 583 HB2 ARG 73 2HB ARG 73 1.698 13.327 3.143 584 HB3 ARG 73 1HB ARG 73 1.245 11.684 2.705 585 HG2 ARG 73 2HG ARG 73 2.268 10.937 4.886 586 HG3 ARG 73 1HG ARG 73 2.390 12.646 5.319 587 HD2 ARG 73 2HD ARG 73 -0.130 11.111 4.673 588 HD3 ARG 73 1HD ARG 73 0.368 11.700 6.257 589 HE ARG 73 HE ARG 73 0.171 13.993 5.185 590 HH11 ARG 73 1HH1 ARG 73 -1.759 11.302 4.231 591 HH12 ARG 73 2HH1 ARG 73 -3.063 12.290 3.679 592 HH21 ARG 73 1HH2 ARG 73 -1.542 15.253 4.491 593 HH22 ARG 73 2HH2 ARG 73 -2.939 14.485 3.819 594 H GLN 74 H GLN 74 2.264 10.289 1.197 595 HA GLN 74 HA GLN 74 2.970 7.924 2.541 596 HB2 GLN 74 2HB GLN 74 1.146 8.119 0.839 597 HB3 GLN 74 1HB GLN 74 2.374 8.226 -0.418 598 HG2 GLN 74 2HG GLN 74 3.165 5.993 0.138 599 HG3 GLN 74 1HG GLN 74 1.998 5.889 1.451 600 HE21 GLN 74 1HE2 GLN 74 2.291 4.127 -0.800 601 HE22 GLN 74 2HE2 GLN 74 0.789 4.160 -1.649 602 H LYS 75 H LYS 75 4.549 9.661 -0.109 603 HA LYS 75 HA LYS 75 6.613 7.869 -0.679 604 HB2 LYS 75 2HB LYS 75 6.159 9.835 -2.056 605 HB3 LYS 75 1HB LYS 75 6.641 10.896 -0.738 606 HG2 LYS 75 2HG LYS 75 8.930 9.978 -0.870 607 HG3 LYS 75 1HG LYS 75 8.428 8.985 -2.241 608 HD2 LYS 75 2HD LYS 75 7.908 10.992 -3.527 609 HD3 LYS 75 1HD LYS 75 8.325 12.007 -2.147 610 HE2 LYS 75 2HE LYS 75 10.640 11.081 -2.248 611 HE3 LYS 75 1HE LYS 75 10.185 10.229 -3.726 612 HZ1 LYS 75 3HZ LYS 75 11.275 12.287 -4.270 613 HZ2 LYS 75 1HZ LYS 75 10.192 13.171 -3.317 614 HZ3 LYS 75 2HZ LYS 75 9.650 12.397 -4.717 615 H GLN 76 H GLN 76 6.665 10.628 1.605 616 HA GLN 76 HA GLN 76 9.221 10.242 2.647 617 HB2 GLN 76 2HB GLN 76 6.730 11.373 3.937 618 HB3 GLN 76 1HB GLN 76 8.320 11.444 4.687 619 HG2 GLN 76 2HG GLN 76 9.170 12.811 2.908 620 HG3 GLN 76 1HG GLN 76 7.687 12.608 1.978 621 HE21 GLN 76 1HE2 GLN 76 5.858 13.773 2.568 622 HE22 GLN 76 2HE2 GLN 76 5.928 15.112 3.655 623 H LYS 77 H LYS 77 6.149 8.804 3.682 624 HA LYS 77 HA LYS 77 7.066 7.275 5.835 625 HB2 LYS 77 2HB LYS 77 4.839 6.868 3.848 626 HB3 LYS 77 1HB LYS 77 5.159 5.680 5.101 627 HG2 LYS 77 2HG LYS 77 4.525 8.587 5.610 628 HG3 LYS 77 1HG LYS 77 3.363 7.260 5.699 629 HD2 LYS 77 2HD LYS 77 4.795 6.194 7.434 630 HD3 LYS 77 1HD LYS 77 5.839 7.615 7.399 631 HE2 LYS 77 2HE LYS 77 3.962 9.013 8.121 632 HE3 LYS 77 1HE LYS 77 2.907 7.599 8.136 633 HZ1 LYS 77 3HZ LYS 77 4.403 6.615 9.815 634 HZ2 LYS 77 1HZ LYS 77 3.663 8.041 10.350 635 HZ3 LYS 77 2HZ LYS 77 5.278 8.058 9.857 636 H LEU 78 H LEU 78 6.906 6.420 2.387 637 HA LEU 78 HA LEU 78 7.932 3.795 2.664 638 HB2 LEU 78 2HB LEU 78 7.870 5.653 0.285 639 HB3 LEU 78 1HB LEU 78 8.289 3.950 0.199 640 HG LEU 78 HG LEU 78 5.613 4.973 1.175 641 HD11 LEU 78 1HD1 LEU 78 5.900 5.565 -1.163 642 HD12 LEU 78 2HD1 LEU 78 4.730 4.256 -0.992 643 HD13 LEU 78 3HD1 LEU 78 6.370 3.907 -1.543 644 HD21 LEU 78 3HD2 LEU 78 4.909 2.645 0.863 645 HD22 LEU 78 1HD2 LEU 78 6.217 2.773 2.039 646 HD23 LEU 78 2HD2 LEU 78 6.554 2.208 0.404 647 H GLU 79 H GLU 79 9.519 6.892 1.941 648 HA GLU 79 HA GLU 79 12.099 5.849 1.464 649 HB2 GLU 79 2HB GLU 79 11.322 8.577 2.529 650 HB3 GLU 79 1HB GLU 79 12.901 8.150 1.880 651 HG2 GLU 79 2HG GLU 79 11.805 7.630 -0.293 652 HG3 GLU 79 1HG GLU 79 10.287 8.221 0.380 653 H ALA 80 H ALA 80 10.354 6.536 4.406 654 HA ALA 80 HA ALA 80 12.583 6.263 6.192 655 HB1 ALA 80 3HB ALA 80 10.541 7.448 6.845 656 HB2 ALA 80 1HB ALA 80 10.889 6.118 7.951 657 HB3 ALA 80 2HB ALA 80 9.626 5.945 6.732 658 H GLU 81 H GLU 81 10.790 4.030 4.353 659 HA GLU 81 HA GLU 81 11.440 1.778 6.138 660 HB2 GLU 81 2HB GLU 81 9.672 1.785 3.680 661 HB3 GLU 81 1HB GLU 81 9.841 0.482 4.848 662 HG2 GLU 81 2HG GLU 81 8.618 3.193 5.331 663 HG3 GLU 81 1HG GLU 81 7.770 1.655 5.214 664 H GLY 82 H GLY 82 13.114 3.334 3.927 665 HA2 GLY 82 2HA GLY 82 15.015 2.677 2.763 666 HA3 GLY 82 1HA GLY 82 14.622 1.005 3.116 667 H ILE 83 H ILE 83 12.353 3.178 1.555 668 HA ILE 83 HA ILE 83 12.656 1.634 -0.948 669 HB ILE 83 HB ILE 83 10.220 3.090 0.111 670 HG12 ILE 83 2HG1 ILE 83 10.774 0.121 -0.189 671 HG13 ILE 83 1HG1 ILE 83 10.757 1.008 1.331 672 HG21 ILE 83 1HG2 ILE 83 10.511 1.412 -2.386 673 HG22 ILE 83 2HG2 ILE 83 10.317 3.164 -2.334 674 HG23 ILE 83 3HG2 ILE 83 9.009 2.117 -1.781 675 HD11 ILE 83 3HD1 ILE 83 8.380 1.501 1.003 676 HD12 ILE 83 1HD1 ILE 83 8.707 -0.232 1.035 677 HD13 ILE 83 2HD1 ILE 83 8.405 0.579 -0.501 678 H GLU 84 H GLU 84 13.016 2.688 -2.857 679 HA GLU 84 HA GLU 84 13.285 5.615 -2.788 680 HB2 GLU 84 2HB GLU 84 14.243 3.608 -4.841 681 HB3 GLU 84 1HB GLU 84 14.532 5.340 -4.909 682 HG2 GLU 84 2HG GLU 84 15.892 5.244 -2.922 683 HG3 GLU 84 1HG GLU 84 15.499 3.541 -2.692 684 H VAL 85 H VAL 85 11.590 6.749 -3.463 685 HA VAL 85 HA VAL 85 9.731 5.580 -5.438 686 HB VAL 85 HB VAL 85 9.260 7.809 -3.438 687 HG11 VAL 85 1HG1 VAL 85 7.353 6.475 -5.365 688 HG12 VAL 85 2HG1 VAL 85 7.901 8.152 -5.411 689 HG13 VAL 85 3HG1 VAL 85 6.882 7.592 -4.085 690 HG21 VAL 85 3HG2 VAL 85 8.228 4.965 -3.437 691 HG22 VAL 85 1HG2 VAL 85 7.839 6.215 -2.256 692 HG23 VAL 85 2HG2 VAL 85 9.488 5.602 -2.379 693 H SER 86 H SER 86 9.472 6.535 -7.394 694 HA SER 86 HA SER 86 11.182 8.719 -8.135 695 HB2 SER 86 2HB SER 86 10.028 8.512 -10.376 696 HB3 SER 86 1HB SER 86 10.824 7.049 -9.802 697 HG SER 86 HG SER 86 8.892 6.143 -9.363 698 H GLU 87 H GLU 87 10.538 10.731 -9.028 699 HA GLU 87 HA GLU 87 9.360 12.271 -7.147 700 HB2 GLU 87 2HB GLU 87 9.272 14.087 -8.824 701 HB3 GLU 87 1HB GLU 87 10.791 13.204 -8.826 702 HG2 GLU 87 2HG GLU 87 10.086 11.963 -10.806 703 HG3 GLU 87 1HG GLU 87 8.541 12.813 -10.795 704 H ILE 88 H ILE 88 7.601 11.333 -10.151 705 HA ILE 88 HA ILE 88 5.273 12.791 -9.340 706 HB ILE 88 HB ILE 88 4.173 11.710 -11.328 707 HG12 ILE 88 2HG1 ILE 88 5.921 10.673 -12.960 708 HG13 ILE 88 1HG1 ILE 88 6.871 10.363 -11.514 709 HG21 ILE 88 1HG2 ILE 88 6.798 13.138 -11.769 710 HG22 ILE 88 2HG2 ILE 88 5.223 13.884 -11.488 711 HG23 ILE 88 3HG2 ILE 88 5.515 12.972 -12.970 712 HD11 ILE 88 3HD1 ILE 88 5.086 8.987 -10.619 713 HD12 ILE 88 1HD1 ILE 88 5.580 8.419 -12.213 714 HD13 ILE 88 2HD1 ILE 88 4.087 9.339 -12.029 715 H GLY 89 H GLY 89 6.355 10.251 -7.828 716 HA2 GLY 89 2HA GLY 89 5.256 9.002 -6.202 717 HA3 GLY 89 1HA GLY 89 3.720 9.472 -6.910 718 H LYS 90 H LYS 90 6.563 7.715 -8.199 719 HA LYS 90 HA LYS 90 4.729 5.478 -8.856 720 HB2 LYS 90 2HB LYS 90 5.607 6.973 -10.790 721 HB3 LYS 90 1HB LYS 90 7.141 6.170 -10.531 722 HG2 LYS 90 2HG LYS 90 4.598 4.671 -11.115 723 HG3 LYS 90 1HG LYS 90 5.677 5.261 -12.379 724 HD2 LYS 90 2HD LYS 90 7.509 3.920 -11.401 725 HD3 LYS 90 1HD LYS 90 6.389 3.304 -10.184 726 HE2 LYS 90 2HE LYS 90 6.190 2.905 -13.172 727 HE3 LYS 90 1HE LYS 90 6.655 1.690 -11.980 728 HZ1 LYS 90 3HZ LYS 90 4.004 2.989 -12.271 729 HZ2 LYS 90 1HZ LYS 90 4.429 1.995 -10.970 730 HZ3 LYS 90 2HZ LYS 90 4.380 1.366 -12.536 731 H ILE 91 H ILE 91 5.426 3.426 -8.401 732 HA ILE 91 HA ILE 91 8.076 3.140 -7.123 733 HB ILE 91 HB ILE 91 5.518 1.695 -6.388 734 HG12 ILE 91 2HG1 ILE 91 7.062 3.803 -4.841 735 HG13 ILE 91 1HG1 ILE 91 5.546 4.081 -5.690 736 HG21 ILE 91 1HG2 ILE 91 6.830 0.814 -4.483 737 HG22 ILE 91 2HG2 ILE 91 8.279 1.549 -5.170 738 HG23 ILE 91 3HG2 ILE 91 7.441 0.267 -6.044 739 HD11 ILE 91 3HD1 ILE 91 5.964 2.263 -3.328 740 HD12 ILE 91 1HD1 ILE 91 4.443 2.466 -4.200 741 HD13 ILE 91 2HD1 ILE 91 5.149 3.827 -3.331 742 H ALA 92 H ALA 92 9.376 1.557 -7.901 743 HA ALA 92 HA ALA 92 8.578 -0.022 -10.158 744 HB1 ALA 92 3HB ALA 92 10.849 -0.884 -10.124 745 HB2 ALA 92 1HB ALA 92 11.110 -0.195 -8.520 746 HB3 ALA 92 2HB ALA 92 10.859 0.866 -9.906 747 H LEU 93 H LEU 93 6.962 -1.463 -9.570 748 HA LEU 93 HA LEU 93 6.729 -2.902 -7.234 749 HB2 LEU 93 2HB LEU 93 5.772 -3.552 -10.013 750 HB3 LEU 93 1HB LEU 93 5.353 -4.539 -8.624 751 HG LEU 93 HG LEU 93 4.665 -1.613 -8.978 752 HD11 LEU 93 1HD1 LEU 93 2.900 -4.062 -9.025 753 HD12 LEU 93 2HD1 LEU 93 3.350 -3.083 -10.422 754 HD13 LEU 93 3HD1 LEU 93 2.359 -2.386 -9.139 755 HD21 LEU 93 3HD2 LEU 93 3.953 -3.523 -6.747 756 HD22 LEU 93 1HD2 LEU 93 3.351 -1.876 -6.930 757 HD23 LEU 93 2HD2 LEU 93 5.066 -2.158 -6.631 758 H ARG 94 H ARG 94 8.323 -4.084 -10.227 759 HA ARG 94 HA ARG 94 8.910 -6.668 -9.450 760 HB2 ARG 94 2HB ARG 94 10.771 -4.841 -10.989 761 HB3 ARG 94 1HB ARG 94 10.790 -6.599 -11.011 762 HG2 ARG 94 2HG ARG 94 8.656 -6.663 -12.127 763 HG3 ARG 94 1HG ARG 94 8.486 -4.911 -11.979 764 HD2 ARG 94 2HD ARG 94 10.567 -6.396 -13.591 765 HD3 ARG 94 1HD ARG 94 9.206 -5.471 -14.226 766 HE ARG 94 HE ARG 94 10.696 -3.745 -12.636 767 HH11 ARG 94 1HH1 ARG 94 11.128 -5.533 -15.555 768 HH12 ARG 94 2HH1 ARG 94 12.306 -4.430 -16.173 769 HH21 ARG 94 1HH2 ARG 94 12.188 -2.337 -13.452 770 HH22 ARG 94 2HH2 ARG 94 12.894 -2.638 -14.999 771 H LYS 95 H LYS 95 10.773 -3.745 -8.736 772 HA LYS 95 HA LYS 95 12.853 -5.105 -7.299 773 HB2 LYS 95 2HB LYS 95 13.525 -3.124 -8.360 774 HB3 LYS 95 1HB LYS 95 12.123 -2.230 -7.797 775 HG2 LYS 95 2HG LYS 95 14.098 -1.439 -6.675 776 HG3 LYS 95 1HG LYS 95 13.043 -2.242 -5.516 777 HD2 LYS 95 2HD LYS 95 14.460 -4.261 -5.664 778 HD3 LYS 95 1HD LYS 95 15.530 -3.412 -6.781 779 HE2 LYS 95 2HE LYS 95 16.008 -1.741 -5.051 780 HE3 LYS 95 1HE LYS 95 14.931 -2.581 -3.938 781 HZ1 LYS 95 3HZ LYS 95 16.384 -4.487 -3.986 782 HZ2 LYS 95 1HZ LYS 95 17.265 -3.110 -3.556 783 HZ3 LYS 95 2HZ LYS 95 17.392 -3.742 -5.119 784 H TYR 96 H TYR 96 9.820 -3.551 -6.378 785 HA TYR 96 HA TYR 96 10.597 -3.766 -3.530 786 HB2 TYR 96 2HB TYR 96 8.596 -1.884 -4.804 787 HB3 TYR 96 1HB TYR 96 8.977 -1.961 -3.086 788 HD1 TYR 96 HD1 TYR 96 11.456 -1.541 -2.428 789 HD2 TYR 96 HD2 TYR 96 9.790 -0.428 -6.190 790 HE1 TYR 96 HE1 TYR 96 13.277 0.078 -2.756 791 HE2 TYR 96 HE2 TYR 96 11.611 1.187 -6.523 792 HH TYR 96 HH TYR 96 13.217 2.408 -5.316 793 H LYS 97 H LYS 97 9.100 -5.679 -5.495 794 HA LYS 97 HA LYS 97 6.428 -5.832 -4.623 795 HB2 LYS 97 2HB LYS 97 7.363 -6.849 -6.715 796 HB3 LYS 97 1HB LYS 97 8.106 -8.096 -5.719 797 HG2 LYS 97 2HG LYS 97 5.917 -8.816 -4.949 798 HG3 LYS 97 1HG LYS 97 5.160 -7.519 -5.879 799 HD2 LYS 97 2HD LYS 97 5.923 -8.501 -7.954 800 HD3 LYS 97 1HD LYS 97 6.818 -9.742 -7.070 801 HE2 LYS 97 2HE LYS 97 4.693 -10.610 -7.947 802 HE3 LYS 97 1HE LYS 97 4.722 -10.637 -6.185 803 HZ1 LYS 97 3HZ LYS 97 3.436 -8.506 -7.803 804 HZ2 LYS 97 1HZ LYS 97 3.364 -8.679 -6.124 805 HZ3 LYS 97 2HZ LYS 97 2.611 -9.814 -7.122 806 H TRP 98 H TRP 98 5.528 -6.650 -2.850 807 HA TRP 98 HA TRP 98 6.977 -7.668 -0.671 808 HB2 TRP 98 2HB TRP 98 4.829 -6.643 -0.301 809 HB3 TRP 98 1HB TRP 98 4.029 -7.813 -1.346 810 HD1 TRP 98 HD1 TRP 98 6.525 -8.782 1.427 811 HE1 TRP 98 HE1 TRP 98 5.288 -10.208 3.168 812 HE3 TRP 98 HE3 TRP 98 1.775 -8.383 -0.424 813 HZ2 TRP 98 HZ2 TRP 98 2.657 -11.058 3.684 814 HZ3 TRP 98 HZ3 TRP 98 -0.048 -9.533 0.759 815 HH2 TRP 98 HH2 TRP 98 0.389 -10.845 2.782 816 H GLN 99 H GLN 99 8.048 -9.542 -0.637 817 HA GLN 99 HA GLN 99 6.791 -11.928 -1.843 818 HB2 GLN 99 2HB GLN 99 9.721 -11.516 -1.193 819 HB3 GLN 99 1HB GLN 99 9.017 -12.879 -2.052 820 HG2 GLN 99 2HG GLN 99 8.390 -11.398 -3.897 821 HG3 GLN 99 1HG GLN 99 9.079 -10.024 -3.031 822 HE21 GLN 99 1HE2 GLN 99 9.758 -12.883 -4.859 823 HE22 GLN 99 2HE2 GLN 99 11.450 -12.611 -5.052 824 HA PRO 100 HA PRO 100 6.352 -12.649 2.700 825 HB2 PRO 100 2HB PRO 100 4.427 -14.598 2.389 826 HB3 PRO 100 1HB PRO 100 4.081 -12.868 2.473 827 HG2 PRO 100 2HG PRO 100 4.350 -14.629 0.059 828 HG3 PRO 100 1HG PRO 100 3.142 -13.373 0.400 829 HD2 PRO 100 2HD PRO 100 5.218 -12.895 -1.228 830 HD3 PRO 100 1HD PRO 100 4.604 -11.643 -0.129 831 H LEU 101 H LEU 101 7.017 -14.861 0.077 832 HA LEU 101 HA LEU 101 7.840 -17.051 1.770 833 HB2 LEU 101 2HB LEU 101 8.382 -16.587 -1.173 834 HB3 LEU 101 1HB LEU 101 8.598 -18.097 -0.307 835 HG LEU 101 HG LEU 101 5.941 -16.724 -0.766 836 HD11 LEU 101 1HD1 LEU 101 5.493 -18.541 -2.336 837 HD12 LEU 101 2HD1 LEU 101 7.125 -19.163 -2.091 838 HD13 LEU 101 3HD1 LEU 101 6.886 -17.585 -2.841 839 HD21 LEU 101 3HD2 LEU 101 5.928 -18.015 1.287 840 HD22 LEU 101 1HD2 LEU 101 6.608 -19.410 0.448 841 HD23 LEU 101 2HD2 LEU 101 4.982 -18.848 0.054 842 H GLU 102 H GLU 102 9.477 -16.327 3.124 843 HA GLU 102 HA GLU 102 11.776 -14.904 2.075 844 HB2 GLU 102 2HB GLU 102 11.274 -16.038 4.837 845 HB3 GLU 102 1HB GLU 102 12.607 -14.978 4.398 846 HG2 GLU 102 2HG GLU 102 11.008 -13.203 3.846 847 HG3 GLU 102 1HG GLU 102 9.676 -14.267 4.296 Start of MODEL 11 1 H1 MET 1 1H MET 1 -13.356 -2.583 14.694 2 H2 MET 1 2H MET 1 -13.183 -4.157 14.112 3 H3 MET 1 3H MET 1 -14.710 -3.584 14.545 4 HA MET 1 HA MET 1 -14.671 -1.975 12.776 5 HB2 MET 1 2HB MET 1 -12.853 -2.059 11.094 6 HB3 MET 1 1HB MET 1 -12.285 -1.563 12.681 7 HG2 MET 1 2HG MET 1 -11.426 -3.822 13.077 8 HG3 MET 1 1HG MET 1 -11.992 -4.312 11.481 9 HE1 MET 1 3HE MET 1 -9.514 -5.224 11.110 10 HE2 MET 1 1HE MET 1 -8.891 -4.556 12.617 11 HE3 MET 1 2HE MET 1 -8.075 -4.208 11.093 12 H ASP 2 H ASP 2 -14.947 -2.574 10.380 13 HA ASP 2 HA ASP 2 -16.681 -4.804 10.296 14 HB2 ASP 2 2HB ASP 2 -15.548 -3.357 7.896 15 HB3 ASP 2 1HB ASP 2 -17.111 -4.159 8.041 16 H GLN 3 H GLN 3 -16.484 -6.841 9.385 17 HA GLN 3 HA GLN 3 -14.045 -8.152 9.360 18 HB2 GLN 3 2HB GLN 3 -16.703 -8.821 8.142 19 HB3 GLN 3 1HB GLN 3 -15.318 -9.862 7.844 20 HG2 GLN 3 2HG GLN 3 -16.384 -9.127 10.567 21 HG3 GLN 3 1HG GLN 3 -16.698 -10.642 9.720 22 HE21 GLN 3 1HE2 GLN 3 -15.346 -10.117 12.290 23 HE22 GLN 3 2HE2 GLN 3 -13.788 -10.847 12.143 24 H PHE 4 H PHE 4 -15.607 -6.485 6.658 25 HA PHE 4 HA PHE 4 -13.947 -7.325 4.579 26 HB2 PHE 4 2HB PHE 4 -15.840 -5.918 4.084 27 HB3 PHE 4 1HB PHE 4 -15.215 -4.622 5.095 28 HD1 PHE 4 HD1 PHE 4 -14.403 -6.593 2.041 29 HD2 PHE 4 HD2 PHE 4 -13.955 -2.909 4.135 30 HE1 PHE 4 HE1 PHE 4 -13.281 -5.618 0.081 31 HE2 PHE 4 HE2 PHE 4 -12.834 -1.931 2.176 32 HZ PHE 4 HZ PHE 4 -12.495 -3.284 0.149 33 H LEU 5 H LEU 5 -13.497 -4.658 6.870 34 HA LEU 5 HA LEU 5 -10.921 -3.880 5.986 35 HB2 LEU 5 2HB LEU 5 -12.158 -3.509 8.720 36 HB3 LEU 5 1HB LEU 5 -10.809 -2.602 8.058 37 HG LEU 5 HG LEU 5 -13.645 -2.538 7.015 38 HD11 LEU 5 1HD1 LEU 5 -12.080 -0.496 8.589 39 HD12 LEU 5 2HD1 LEU 5 -13.461 -1.433 9.162 40 HD13 LEU 5 3HD1 LEU 5 -13.676 -0.244 7.878 41 HD21 LEU 5 3HD2 LEU 5 -12.874 -0.707 5.590 42 HD22 LEU 5 1HD2 LEU 5 -12.010 -2.200 5.229 43 HD23 LEU 5 2HD2 LEU 5 -11.225 -0.934 6.175 44 H VAL 6 H VAL 6 -12.001 -5.948 8.683 45 HA VAL 6 HA VAL 6 -9.568 -6.519 9.866 46 HB VAL 6 HB VAL 6 -11.898 -8.420 9.514 47 HG11 VAL 6 1HG1 VAL 6 -11.034 -9.515 11.562 48 HG12 VAL 6 2HG1 VAL 6 -9.601 -8.490 11.475 49 HG13 VAL 6 3HG1 VAL 6 -9.933 -9.653 10.190 50 HG21 VAL 6 3HG2 VAL 6 -12.599 -7.648 11.736 51 HG22 VAL 6 1HG2 VAL 6 -12.573 -6.328 10.567 52 HG23 VAL 6 2HG2 VAL 6 -11.273 -6.486 11.750 53 H GLN 7 H GLN 7 -11.119 -8.303 7.191 54 HA GLN 7 HA GLN 7 -9.124 -10.283 6.951 55 HB2 GLN 7 2HB GLN 7 -11.102 -9.280 4.893 56 HB3 GLN 7 1HB GLN 7 -10.157 -10.757 4.745 57 HG2 GLN 7 2HG GLN 7 -12.176 -10.197 6.923 58 HG3 GLN 7 1HG GLN 7 -12.467 -11.173 5.481 59 HE21 GLN 7 1HE2 GLN 7 -10.792 -11.001 8.529 60 HE22 GLN 7 2HE2 GLN 7 -10.379 -12.673 8.622 61 H ILE 8 H ILE 8 -9.638 -7.317 4.974 62 HA ILE 8 HA ILE 8 -7.370 -7.773 3.330 63 HB ILE 8 HB ILE 8 -7.597 -5.433 2.592 64 HG12 ILE 8 2HG1 ILE 8 -9.777 -5.254 4.692 65 HG13 ILE 8 1HG1 ILE 8 -8.233 -4.412 4.742 66 HG21 ILE 8 1HG2 ILE 8 -10.198 -6.959 2.772 67 HG22 ILE 8 2HG2 ILE 8 -8.959 -7.127 1.529 68 HG23 ILE 8 3HG2 ILE 8 -9.876 -5.628 1.660 69 HD11 ILE 8 3HD1 ILE 8 -8.856 -3.168 2.733 70 HD12 ILE 8 1HD1 ILE 8 -10.008 -2.927 4.046 71 HD13 ILE 8 2HD1 ILE 8 -10.413 -4.000 2.707 72 H PHE 9 H PHE 9 -7.796 -5.701 6.209 73 HA PHE 9 HA PHE 9 -5.195 -4.637 6.283 74 HB2 PHE 9 2HB PHE 9 -7.148 -5.171 8.539 75 HB3 PHE 9 1HB PHE 9 -5.652 -4.268 8.734 76 HD1 PHE 9 HD1 PHE 9 -6.641 -3.364 5.573 77 HD2 PHE 9 HD2 PHE 9 -7.833 -2.862 9.632 78 HE1 PHE 9 HE1 PHE 9 -7.791 -1.276 4.977 79 HE2 PHE 9 HE2 PHE 9 -8.992 -0.778 9.034 80 HZ PHE 9 HZ PHE 9 -8.973 0.019 6.704 81 H ALA 10 H ALA 10 -6.534 -7.577 7.778 82 HA ALA 10 HA ALA 10 -4.343 -8.455 9.224 83 HB1 ALA 10 3HB ALA 10 -6.527 -9.549 9.306 84 HB2 ALA 10 1HB ALA 10 -5.246 -10.715 8.977 85 HB3 ALA 10 2HB ALA 10 -6.293 -10.162 7.669 86 H VAL 11 H VAL 11 -5.030 -8.938 5.766 87 HA VAL 11 HA VAL 11 -2.750 -10.519 5.187 88 HB VAL 11 HB VAL 11 -4.240 -8.648 3.321 89 HG11 VAL 11 1HG1 VAL 11 -2.449 -11.010 2.714 90 HG12 VAL 11 2HG1 VAL 11 -2.073 -9.312 2.421 91 HG13 VAL 11 3HG1 VAL 11 -3.378 -10.090 1.525 92 HG21 VAL 11 3HG2 VAL 11 -5.748 -10.271 4.365 93 HG22 VAL 11 1HG2 VAL 11 -4.691 -11.592 3.864 94 HG23 VAL 11 2HG2 VAL 11 -5.530 -10.623 2.651 95 H ILE 12 H ILE 12 -3.287 -7.019 5.120 96 HA ILE 12 HA ILE 12 -0.848 -6.260 3.940 97 HB ILE 12 HB ILE 12 -2.593 -4.691 5.851 98 HG12 ILE 12 2HG1 ILE 12 -2.567 -4.660 2.818 99 HG13 ILE 12 1HG1 ILE 12 -3.727 -5.569 3.780 100 HG21 ILE 12 1HG2 ILE 12 -0.375 -3.699 5.647 101 HG22 ILE 12 2HG2 ILE 12 -1.578 -2.696 4.836 102 HG23 ILE 12 3HG2 ILE 12 -0.507 -3.728 3.889 103 HD11 ILE 12 3HD1 ILE 12 -3.381 -2.580 3.819 104 HD12 ILE 12 1HD1 ILE 12 -4.568 -3.504 4.741 105 HD13 ILE 12 2HD1 ILE 12 -4.652 -3.468 2.981 106 H HIS 13 H HIS 13 -1.676 -6.960 7.308 107 HA HIS 13 HA HIS 13 0.593 -5.852 8.533 108 HB2 HIS 13 2HB HIS 13 -1.250 -8.090 9.327 109 HB3 HIS 13 1HB HIS 13 0.150 -7.684 10.314 110 HD2 HIS 13 HD2 HIS 13 -3.457 -6.639 9.884 111 HE1 HIS 13 HE1 HIS 13 -1.521 -3.547 12.034 112 HE2 HIS 13 HE2 HIS 13 -3.726 -4.356 11.090 113 H GLN 14 H GLN 14 0.321 -8.722 6.602 114 HA GLN 14 HA GLN 14 2.737 -9.952 7.575 115 HB2 GLN 14 2HB GLN 14 0.879 -10.503 5.286 116 HB3 GLN 14 1HB GLN 14 2.458 -11.270 5.321 117 HG2 GLN 14 2HG GLN 14 0.787 -12.748 6.235 118 HG3 GLN 14 1HG GLN 14 1.930 -12.270 7.484 119 HE21 GLN 14 1HE2 GLN 14 -1.320 -12.022 6.341 120 HE22 GLN 14 2HE2 GLN 14 -1.982 -11.304 7.764 121 H ILE 15 H ILE 15 2.149 -7.339 5.471 122 HA ILE 15 HA ILE 15 4.407 -7.694 3.731 123 HB ILE 15 HB ILE 15 2.904 -5.129 4.323 124 HG12 ILE 15 2HG1 ILE 15 2.441 -7.175 2.130 125 HG13 ILE 15 1HG1 ILE 15 1.389 -6.914 3.517 126 HG21 ILE 15 1HG2 ILE 15 3.756 -4.422 2.115 127 HG22 ILE 15 2HG2 ILE 15 4.681 -5.921 2.011 128 HG23 ILE 15 3HG2 ILE 15 5.055 -4.738 3.264 129 HD11 ILE 15 3HD1 ILE 15 1.975 -4.903 1.355 130 HD12 ILE 15 1HD1 ILE 15 0.902 -4.663 2.734 131 HD13 ILE 15 2HD1 ILE 15 0.508 -5.869 1.509 132 HA PRO 16 HA PRO 16 7.323 -6.380 6.942 133 HB2 PRO 16 2HB PRO 16 9.360 -6.829 4.862 134 HB3 PRO 16 1HB PRO 16 9.152 -7.630 6.421 135 HG2 PRO 16 2HG PRO 16 8.642 -8.896 4.102 136 HG3 PRO 16 1HG PRO 16 7.692 -9.206 5.569 137 HD2 PRO 16 2HD PRO 16 7.015 -7.478 3.203 138 HD3 PRO 16 1HD PRO 16 5.990 -8.640 4.077 139 H LYS 17 H LYS 17 9.312 -4.902 6.954 140 HA LYS 17 HA LYS 17 8.514 -2.331 6.068 141 HB2 LYS 17 2HB LYS 17 9.805 -2.784 8.147 142 HB3 LYS 17 1HB LYS 17 11.199 -3.200 7.160 143 HG2 LYS 17 2HG LYS 17 11.212 -0.910 6.249 144 HG3 LYS 17 1HG LYS 17 9.855 -0.504 7.303 145 HD2 LYS 17 2HD LYS 17 11.260 -1.076 9.268 146 HD3 LYS 17 1HD LYS 17 12.616 -1.377 8.179 147 HE2 LYS 17 2HE LYS 17 12.453 0.965 7.392 148 HE3 LYS 17 1HE LYS 17 11.174 1.245 8.572 149 HZ1 LYS 17 3HZ LYS 17 12.754 0.674 10.330 150 HZ2 LYS 17 1HZ LYS 17 13.283 1.998 9.421 151 HZ3 LYS 17 2HZ LYS 17 13.976 0.475 9.180 152 H GLY 18 H GLY 18 9.247 -1.026 4.433 153 HA2 GLY 18 2HA GLY 18 10.297 -0.400 2.486 154 HA3 GLY 18 1HA GLY 18 11.563 -1.557 2.861 155 H LYS 19 H LYS 19 8.377 -2.834 2.712 156 HA LYS 19 HA LYS 19 8.893 -3.898 0.001 157 HB2 LYS 19 2HB LYS 19 7.359 -5.272 2.225 158 HB3 LYS 19 1HB LYS 19 7.782 -5.951 0.659 159 HG2 LYS 19 2HG LYS 19 9.735 -5.170 2.820 160 HG3 LYS 19 1HG LYS 19 9.214 -6.813 2.448 161 HD2 LYS 19 2HD LYS 19 10.252 -6.706 0.270 162 HD3 LYS 19 1HD LYS 19 10.624 -4.993 0.483 163 HE2 LYS 19 2HE LYS 19 11.732 -7.230 2.187 164 HE3 LYS 19 1HE LYS 19 12.584 -6.465 0.845 165 HZ1 LYS 19 3HZ LYS 19 11.649 -5.073 3.303 166 HZ2 LYS 19 1HZ LYS 19 12.491 -4.364 2.019 167 HZ3 LYS 19 2HZ LYS 19 13.245 -5.529 2.978 168 H VAL 20 H VAL 20 7.179 -3.923 -1.460 169 HA VAL 20 HA VAL 20 4.713 -2.560 -0.580 170 HB VAL 20 HB VAL 20 4.566 -1.500 -2.815 171 HG11 VAL 20 1HG1 VAL 20 6.303 0.203 -2.451 172 HG12 VAL 20 2HG1 VAL 20 7.099 -0.861 -1.291 173 HG13 VAL 20 3HG1 VAL 20 5.487 -0.234 -0.948 174 HG21 VAL 20 3HG2 VAL 20 7.348 -2.625 -3.209 175 HG22 VAL 20 1HG2 VAL 20 6.561 -1.453 -4.268 176 HG23 VAL 20 2HG2 VAL 20 5.898 -3.078 -4.106 177 H SER 21 H SER 21 2.780 -3.198 -1.439 178 HA SER 21 HA SER 21 2.746 -5.376 -3.425 179 HB2 SER 21 2HB SER 21 2.393 -6.438 -1.235 180 HB3 SER 21 1HB SER 21 1.086 -5.308 -0.879 181 HG SER 21 HG SER 21 1.137 -7.254 -2.957 182 H THR 22 H THR 22 0.225 -5.699 -4.031 183 HA THR 22 HA THR 22 -0.757 -2.977 -4.662 184 HB THR 22 HB THR 22 -1.695 -3.852 -6.745 185 HG1 THR 22 HG1 THR 22 -0.466 -6.312 -5.969 186 HG21 THR 22 3HG2 THR 22 0.390 -4.288 -7.954 187 HG22 THR 22 1HG2 THR 22 1.222 -4.595 -6.428 188 HG23 THR 22 2HG2 THR 22 0.603 -2.982 -6.788 189 H TYR 23 H TYR 23 -2.995 -2.599 -4.723 190 HA TYR 23 HA TYR 23 -4.538 -3.640 -2.687 191 HB2 TYR 23 2HB TYR 23 -5.532 -2.403 -5.269 192 HB3 TYR 23 1HB TYR 23 -6.475 -2.577 -3.790 193 HD1 TYR 23 HD2 TYR 23 -5.405 -1.481 -1.646 194 HD2 TYR 23 HD1 TYR 23 -4.405 -0.397 -5.644 195 HE1 TYR 23 HE2 TYR 23 -4.566 0.683 -0.849 196 HE2 TYR 23 HE1 TYR 23 -3.554 1.768 -4.845 197 HH TYR 23 HH TYR 23 -2.901 2.405 -1.631 198 H GLY 24 H GLY 24 -4.365 -4.751 -6.041 199 HA2 GLY 24 2HA GLY 24 -6.538 -6.535 -6.009 200 HA3 GLY 24 1HA GLY 24 -5.136 -6.663 -7.058 201 H GLU 25 H GLU 25 -3.084 -7.209 -5.390 202 HA GLU 25 HA GLU 25 -3.298 -9.937 -4.853 203 HB2 GLU 25 2HB GLU 25 -1.381 -7.932 -3.628 204 HB3 GLU 25 1HB GLU 25 -1.174 -9.678 -3.598 205 HG2 GLU 25 2HG GLU 25 -0.952 -9.740 -6.000 206 HG3 GLU 25 1HG GLU 25 -1.299 -8.016 -6.111 207 H ILE 26 H ILE 26 -3.476 -7.201 -2.582 208 HA ILE 26 HA ILE 26 -3.852 -8.690 -0.225 209 HB ILE 26 HB ILE 26 -4.864 -5.904 -0.853 210 HG12 ILE 26 2HG1 ILE 26 -2.444 -6.097 -1.194 211 HG13 ILE 26 1HG1 ILE 26 -2.793 -5.123 0.229 212 HG21 ILE 26 1HG2 ILE 26 -4.814 -5.562 1.588 213 HG22 ILE 26 2HG2 ILE 26 -4.408 -7.265 1.806 214 HG23 ILE 26 3HG2 ILE 26 -5.964 -6.811 1.110 215 HD11 ILE 26 3HD1 ILE 26 -2.290 -7.059 1.654 216 HD12 ILE 26 1HD1 ILE 26 -0.926 -6.595 0.638 217 HD13 ILE 26 2HD1 ILE 26 -1.902 -8.000 0.213 218 H ALA 27 H ALA 27 -6.302 -7.069 -2.269 219 HA ALA 27 HA ALA 27 -8.566 -7.836 -0.829 220 HB1 ALA 27 3HB ALA 27 -8.339 -7.298 -3.793 221 HB2 ALA 27 1HB ALA 27 -8.607 -6.094 -2.531 222 HB3 ALA 27 2HB ALA 27 -9.837 -7.315 -2.861 223 H LYS 28 H LYS 28 -7.099 -9.456 -3.661 224 HA LYS 28 HA LYS 28 -8.944 -11.561 -3.868 225 HB2 LYS 28 2HB LYS 28 -6.017 -11.464 -4.636 226 HB3 LYS 28 1HB LYS 28 -7.124 -12.747 -5.112 227 HG2 LYS 28 2HG LYS 28 -8.449 -11.210 -6.404 228 HG3 LYS 28 1HG LYS 28 -7.519 -9.837 -5.804 229 HD2 LYS 28 2HD LYS 28 -6.808 -10.391 -8.056 230 HD3 LYS 28 1HD LYS 28 -5.507 -10.738 -6.918 231 HE2 LYS 28 2HE LYS 28 -5.730 -12.515 -8.582 232 HE3 LYS 28 1HE LYS 28 -6.086 -13.110 -6.961 233 HZ1 LYS 28 3HZ LYS 28 -7.642 -13.875 -8.714 234 HZ2 LYS 28 1HZ LYS 28 -8.170 -12.283 -8.903 235 HZ3 LYS 28 2HZ LYS 28 -8.400 -13.082 -7.431 236 H MET 29 H MET 29 -5.904 -11.360 -2.020 237 HA MET 29 HA MET 29 -6.100 -14.033 -1.011 238 HB2 MET 29 2HB MET 29 -4.409 -11.673 -0.183 239 HB3 MET 29 1HB MET 29 -4.301 -13.248 0.596 240 HG2 MET 29 2HG MET 29 -3.775 -14.240 -1.627 241 HG3 MET 29 1HG MET 29 -3.731 -12.608 -2.291 242 HE1 MET 29 3HE MET 29 -2.371 -10.883 -0.074 243 HE2 MET 29 1HE MET 29 -1.866 -10.830 -1.762 244 HE3 MET 29 2HE MET 29 -0.663 -11.024 -0.489 245 H ALA 30 H ALA 30 -7.440 -10.994 -0.021 246 HA ALA 30 HA ALA 30 -8.160 -11.887 2.635 247 HB1 ALA 30 3HB ALA 30 -9.167 -9.509 1.068 248 HB2 ALA 30 1HB ALA 30 -7.779 -9.508 2.157 249 HB3 ALA 30 2HB ALA 30 -9.398 -9.798 2.794 250 H GLY 31 H GLY 31 -9.583 -11.934 -0.552 251 HA2 GLY 31 2HA GLY 31 -11.249 -13.590 -1.078 252 HA3 GLY 31 1HA GLY 31 -11.895 -13.413 0.542 253 H TYR 32 H TYR 32 -11.059 -10.638 -1.438 254 HA TYR 32 HA TYR 32 -13.897 -10.166 -2.079 255 HB2 TYR 32 2HB TYR 32 -12.016 -8.081 -0.931 256 HB3 TYR 32 1HB TYR 32 -13.673 -7.797 -1.450 257 HD1 TYR 32 HD2 TYR 32 -11.550 -9.297 1.160 258 HD2 TYR 32 HD1 TYR 32 -15.551 -8.498 -0.070 259 HE1 TYR 32 HE2 TYR 32 -12.349 -9.828 3.422 260 HE2 TYR 32 HE1 TYR 32 -16.351 -9.029 2.193 261 HH TYR 32 HH TYR 32 -14.223 -9.417 4.858 262 HA PRO 33 HA PRO 33 -11.180 -9.583 -5.815 263 HB2 PRO 33 2HB PRO 33 -12.906 -10.733 -7.583 264 HB3 PRO 33 1HB PRO 33 -11.750 -11.661 -6.623 265 HG2 PRO 33 2HG PRO 33 -14.671 -11.197 -6.136 266 HG3 PRO 33 1HG PRO 33 -13.737 -12.698 -5.983 267 HD2 PRO 33 2HD PRO 33 -14.407 -11.177 -3.840 268 HD3 PRO 33 1HD PRO 33 -12.900 -12.113 -3.909 269 H GLY 34 H GLY 34 -11.208 -7.649 -6.818 270 HA2 GLY 34 2HA GLY 34 -12.143 -5.988 -8.219 271 HA3 GLY 34 1HA GLY 34 -13.751 -6.516 -7.756 272 H TYR 35 H TYR 35 -12.788 -6.458 -4.853 273 HA TYR 35 HA TYR 35 -13.645 -3.755 -4.340 274 HB2 TYR 35 2HB TYR 35 -12.977 -6.109 -2.586 275 HB3 TYR 35 1HB TYR 35 -13.252 -4.515 -1.892 276 HD1 TYR 35 HD1 TYR 35 -14.843 -7.239 -3.857 277 HD2 TYR 35 HD2 TYR 35 -15.448 -3.638 -1.658 278 HE1 TYR 35 HE1 TYR 35 -17.274 -7.621 -3.903 279 HE2 TYR 35 HE2 TYR 35 -17.873 -4.015 -1.697 280 HH TYR 35 HH TYR 35 -19.275 -6.961 -2.606 281 H ALA 36 H ALA 36 -10.800 -4.612 -5.400 282 HA ALA 36 HA ALA 36 -8.795 -3.801 -3.699 283 HB1 ALA 36 3HB ALA 36 -7.495 -3.266 -5.687 284 HB2 ALA 36 1HB ALA 36 -8.968 -3.216 -6.657 285 HB3 ALA 36 2HB ALA 36 -8.433 -4.736 -5.944 286 H ARG 37 H ARG 37 -10.798 -1.727 -5.791 287 HA ARG 37 HA ARG 37 -9.654 0.744 -5.173 288 HB2 ARG 37 2HB ARG 37 -11.841 1.720 -5.851 289 HB3 ARG 37 1HB ARG 37 -11.228 0.528 -6.990 290 HG2 ARG 37 2HG ARG 37 -12.741 -1.155 -6.017 291 HG3 ARG 37 1HG ARG 37 -13.380 0.074 -4.926 292 HD2 ARG 37 2HD ARG 37 -14.212 1.364 -6.800 293 HD3 ARG 37 1HD ARG 37 -13.478 0.235 -7.940 294 HE ARG 37 HE ARG 37 -15.883 -0.195 -6.349 295 HH11 ARG 37 1HH1 ARG 37 -13.512 -1.507 -8.474 296 HH12 ARG 37 2HH1 ARG 37 -14.512 -2.830 -8.957 297 HH21 ARG 37 1HH2 ARG 37 -17.165 -1.920 -6.969 298 HH22 ARG 37 2HH2 ARG 37 -16.556 -3.055 -8.121 299 H HIS 38 H HIS 38 -12.157 -1.067 -3.425 300 HA HIS 38 HA HIS 38 -12.757 1.012 -1.562 301 HB2 HIS 38 2HB HIS 38 -13.264 -1.969 -1.401 302 HB3 HIS 38 1HB HIS 38 -13.941 -0.772 -0.299 303 HD2 HIS 38 HD2 HIS 38 -14.550 -2.261 -3.789 304 HE1 HIS 38 HE1 HIS 38 -17.388 0.807 -3.159 305 HE2 HIS 38 HE2 HIS 38 -16.828 -1.256 -4.503 306 H VAL 39 H VAL 39 -10.523 -1.732 -1.550 307 HA VAL 39 HA VAL 39 -9.551 -1.520 1.069 308 HB VAL 39 HB VAL 39 -7.949 -2.184 -1.422 309 HG11 VAL 39 1HG1 VAL 39 -6.500 -1.698 0.474 310 HG12 VAL 39 2HG1 VAL 39 -6.469 -3.422 0.107 311 HG13 VAL 39 3HG1 VAL 39 -7.402 -2.831 1.482 312 HG21 VAL 39 3HG2 VAL 39 -8.439 -4.536 -0.874 313 HG22 VAL 39 1HG2 VAL 39 -9.902 -3.622 -1.236 314 HG23 VAL 39 2HG2 VAL 39 -9.493 -4.003 0.437 315 H GLY 40 H GLY 40 -8.573 0.200 -1.889 316 HA2 GLY 40 2HA GLY 40 -6.563 1.832 -0.802 317 HA3 GLY 40 1HA GLY 40 -7.535 2.227 -2.210 318 H LYS 41 H LYS 41 -10.079 2.355 -0.952 319 HA LYS 41 HA LYS 41 -10.112 4.955 0.136 320 HB2 LYS 41 2HB LYS 41 -12.188 2.762 0.398 321 HB3 LYS 41 1HB LYS 41 -12.457 4.457 0.774 322 HG2 LYS 41 2HG LYS 41 -12.030 5.038 -1.578 323 HG3 LYS 41 1HG LYS 41 -11.805 3.325 -1.945 324 HD2 LYS 41 2HD LYS 41 -14.063 4.082 -2.536 325 HD3 LYS 41 1HD LYS 41 -14.109 2.864 -1.260 326 HE2 LYS 41 2HE LYS 41 -14.364 4.647 0.416 327 HE3 LYS 41 1HE LYS 41 -14.327 5.854 -0.868 328 HZ1 LYS 41 3HZ LYS 41 -16.344 4.882 -1.783 329 HZ2 LYS 41 1HZ LYS 41 -16.582 5.372 -0.182 330 HZ3 LYS 41 2HZ LYS 41 -16.380 3.734 -0.540 331 H ALA 42 H ALA 42 -10.371 1.775 1.715 332 HA ALA 42 HA ALA 42 -10.654 2.634 4.362 333 HB1 ALA 42 3HB ALA 42 -11.048 0.334 3.643 334 HB2 ALA 42 1HB ALA 42 -9.910 0.388 4.988 335 HB3 ALA 42 2HB ALA 42 -9.323 0.120 3.346 336 H LEU 43 H LEU 43 -7.684 1.857 2.545 337 HA LEU 43 HA LEU 43 -5.902 2.455 4.678 338 HB2 LEU 43 2HB LEU 43 -5.417 2.412 1.695 339 HB3 LEU 43 1HB LEU 43 -4.160 2.477 2.916 340 HG LEU 43 HG LEU 43 -6.066 0.189 2.379 341 HD11 LEU 43 1HD1 LEU 43 -3.055 0.358 2.211 342 HD12 LEU 43 2HD1 LEU 43 -4.170 0.357 0.845 343 HD13 LEU 43 3HD1 LEU 43 -4.045 -1.065 1.877 344 HD21 LEU 43 3HD2 LEU 43 -4.946 -1.004 4.201 345 HD22 LEU 43 1HD2 LEU 43 -5.778 0.436 4.790 346 HD23 LEU 43 2HD2 LEU 43 -4.025 0.448 4.594 347 H GLY 44 H GLY 44 -7.182 4.389 1.993 348 HA2 GLY 44 2HA GLY 44 -5.666 6.738 2.505 349 HA3 GLY 44 1HA GLY 44 -7.172 6.661 1.605 350 H ASN 45 H ASN 45 -8.334 5.365 4.161 351 HA ASN 45 HA ASN 45 -9.288 7.780 5.394 352 HB2 ASN 45 2HB ASN 45 -10.649 5.685 5.107 353 HB3 ASN 45 1HB ASN 45 -9.637 4.912 6.322 354 HD21 ASN 45 1HD2 ASN 45 -12.157 7.197 5.730 355 HD22 ASN 45 2HD2 ASN 45 -12.600 7.441 7.379 356 H LEU 46 H LEU 46 -6.681 5.598 5.940 357 HA LEU 46 HA LEU 46 -6.313 6.183 8.744 358 HB2 LEU 46 2HB LEU 46 -4.536 4.756 6.754 359 HB3 LEU 46 1HB LEU 46 -4.249 4.833 8.483 360 HG LEU 46 HG LEU 46 -6.683 3.544 7.226 361 HD11 LEU 46 1HD1 LEU 46 -4.182 2.240 8.311 362 HD12 LEU 46 2HD1 LEU 46 -4.645 2.334 6.612 363 HD13 LEU 46 3HD1 LEU 46 -5.630 1.407 7.742 364 HD21 LEU 46 3HD2 LEU 46 -5.611 3.464 10.052 365 HD22 LEU 46 1HD2 LEU 46 -7.015 2.581 9.451 366 HD23 LEU 46 2HD2 LEU 46 -7.041 4.344 9.512 367 HA PRO 47 HA PRO 47 -3.465 9.609 8.040 368 HB2 PRO 47 2HB PRO 47 -2.754 10.085 10.570 369 HB3 PRO 47 1HB PRO 47 -4.415 10.372 10.034 370 HG2 PRO 47 2HG PRO 47 -3.290 8.059 11.573 371 HG3 PRO 47 1HG PRO 47 -4.818 8.923 11.816 372 HD2 PRO 47 2HD PRO 47 -4.548 6.514 10.456 373 HD3 PRO 47 1HD PRO 47 -5.912 7.633 10.271 374 H GLU 48 H GLU 48 -1.138 10.190 9.001 375 HA GLU 48 HA GLU 48 0.621 8.107 8.183 376 HB2 GLU 48 2HB GLU 48 2.399 9.778 9.147 377 HB3 GLU 48 1HB GLU 48 1.511 10.170 7.685 378 HG2 GLU 48 2HG GLU 48 1.672 12.106 9.102 379 HG3 GLU 48 1HG GLU 48 -0.006 11.589 8.985 380 H GLY 49 H GLY 49 -0.647 9.022 11.278 381 HA2 GLY 49 2HA GLY 49 1.307 7.443 12.767 382 HA3 GLY 49 1HA GLY 49 -0.040 8.344 13.439 383 H SER 50 H SER 50 -0.214 5.909 10.872 384 HA SER 50 HA SER 50 -2.075 4.339 12.494 385 HB2 SER 50 2HB SER 50 -2.766 4.808 10.212 386 HB3 SER 50 1HB SER 50 -1.268 4.128 9.578 387 HG SER 50 HG SER 50 -2.265 2.294 9.551 388 H LYS 51 H LYS 51 -1.683 2.273 13.233 389 HA LYS 51 HA LYS 51 1.014 1.305 13.354 390 HB2 LYS 51 2HB LYS 51 -0.593 0.901 15.176 391 HB3 LYS 51 1HB LYS 51 -1.583 -0.073 14.097 392 HG2 LYS 51 2HG LYS 51 0.201 -1.712 13.891 393 HG3 LYS 51 1HG LYS 51 1.251 -0.721 14.906 394 HD2 LYS 51 2HD LYS 51 -0.359 -0.984 16.771 395 HD3 LYS 51 1HD LYS 51 -1.338 -2.042 15.748 396 HE2 LYS 51 2HE LYS 51 0.509 -3.623 15.584 397 HE3 LYS 51 1HE LYS 51 1.538 -2.547 16.531 398 HZ1 LYS 51 3HZ LYS 51 0.014 -2.827 18.400 399 HZ2 LYS 51 1HZ LYS 51 0.654 -4.309 17.895 400 HZ3 LYS 51 2HZ LYS 51 -0.931 -3.891 17.487 401 H LEU 52 H LEU 52 -1.911 0.311 11.633 402 HA LEU 52 HA LEU 52 -0.755 -1.789 10.124 403 HB2 LEU 52 2HB LEU 52 -3.152 -1.589 10.337 404 HB3 LEU 52 1HB LEU 52 -3.129 0.003 9.602 405 HG LEU 52 HG LEU 52 -2.267 -1.125 7.488 406 HD11 LEU 52 1HD1 LEU 52 -2.769 -3.513 7.239 407 HD12 LEU 52 2HD1 LEU 52 -3.163 -3.603 8.956 408 HD13 LEU 52 3HD1 LEU 52 -1.518 -3.218 8.446 409 HD21 LEU 52 3HD2 LEU 52 -4.542 -0.321 7.685 410 HD22 LEU 52 1HD2 LEU 52 -5.028 -1.816 8.486 411 HD23 LEU 52 2HD2 LEU 52 -4.507 -1.845 6.801 412 HA PRO 53 HA PRO 53 1.639 0.942 7.420 413 HB2 PRO 53 2HB PRO 53 2.766 -1.025 5.902 414 HB3 PRO 53 1HB PRO 53 3.361 -0.588 7.508 415 HG2 PRO 53 2HG PRO 53 1.574 -2.857 6.702 416 HG3 PRO 53 1HG PRO 53 2.936 -2.858 7.839 417 HD2 PRO 53 2HD PRO 53 0.349 -2.754 8.652 418 HD3 PRO 53 1HD PRO 53 1.663 -1.971 9.554 419 H TRP 54 H TRP 54 -0.148 1.863 6.371 420 HA TRP 54 HA TRP 54 -1.531 0.433 4.261 421 HB2 TRP 54 2HB TRP 54 -2.759 2.593 3.982 422 HB3 TRP 54 1HB TRP 54 -2.827 1.955 5.619 423 HD1 TRP 54 HD1 TRP 54 -1.409 3.281 7.509 424 HE1 TRP 54 HE1 TRP 54 -0.636 5.730 7.623 425 HE3 TRP 54 HE3 TRP 54 -1.935 4.530 2.576 426 HZ2 TRP 54 HZ2 TRP 54 -0.284 7.906 5.853 427 HZ3 TRP 54 HZ3 TRP 54 -1.361 6.815 1.869 428 HH2 TRP 54 HH2 TRP 54 -0.556 8.467 3.471 429 H PHE 55 H PHE 55 0.944 2.856 4.571 430 HA PHE 55 HA PHE 55 1.075 3.818 1.958 431 HB2 PHE 55 2HB PHE 55 3.526 4.310 2.620 432 HB3 PHE 55 1HB PHE 55 2.239 5.058 3.557 433 HD1 PHE 55 HD1 PHE 55 4.870 2.487 3.585 434 HD2 PHE 55 HD2 PHE 55 1.852 4.458 5.856 435 HE1 PHE 55 HE1 PHE 55 5.812 1.546 5.651 436 HE2 PHE 55 HE2 PHE 55 2.796 3.521 7.926 437 HZ PHE 55 HZ PHE 55 4.775 2.060 7.826 438 H ARG 56 H ARG 56 2.041 0.720 3.149 439 HA ARG 56 HA ARG 56 4.016 0.214 1.104 440 HB2 ARG 56 2HB ARG 56 2.688 -1.657 3.076 441 HB3 ARG 56 1HB ARG 56 4.007 -2.107 2.005 442 HG2 ARG 56 2HG ARG 56 5.447 -0.430 3.096 443 HG3 ARG 56 1HG ARG 56 4.122 -0.029 4.190 444 HD2 ARG 56 2HD ARG 56 4.131 -2.388 4.986 445 HD3 ARG 56 1HD ARG 56 5.541 -2.689 3.969 446 HE ARG 56 HE ARG 56 6.347 -0.595 5.460 447 HH11 ARG 56 1HH1 ARG 56 4.975 -3.654 6.310 448 HH12 ARG 56 2HH1 ARG 56 5.728 -3.671 7.863 449 HH21 ARG 56 1HH2 ARG 56 7.290 -0.644 7.455 450 HH22 ARG 56 2HH2 ARG 56 7.013 -1.992 8.505 451 H VAL 57 H VAL 57 0.726 0.424 0.869 452 HA VAL 57 HA VAL 57 0.597 -1.692 -1.197 453 HB VAL 57 HB VAL 57 -1.758 -0.563 0.334 454 HG11 VAL 57 1HG1 VAL 57 -1.537 -2.947 -1.515 455 HG12 VAL 57 2HG1 VAL 57 -2.330 -1.415 -1.884 456 HG13 VAL 57 3HG1 VAL 57 -2.982 -2.464 -0.624 457 HG21 VAL 57 3HG2 VAL 57 -0.328 -1.803 1.866 458 HG22 VAL 57 1HG2 VAL 57 -0.286 -3.172 0.752 459 HG23 VAL 57 2HG2 VAL 57 -1.799 -2.717 1.535 460 H ILE 58 H ILE 58 0.554 -0.939 -3.207 461 HA ILE 58 HA ILE 58 -0.837 1.605 -3.791 462 HB ILE 58 HB ILE 58 0.844 2.081 -5.544 463 HG12 ILE 58 2HG1 ILE 58 2.387 -0.223 -4.309 464 HG13 ILE 58 1HG1 ILE 58 1.627 -0.245 -5.898 465 HG21 ILE 58 1HG2 ILE 58 2.618 2.841 -4.044 466 HG22 ILE 58 2HG2 ILE 58 2.013 1.779 -2.774 467 HG23 ILE 58 3HG2 ILE 58 1.026 3.127 -3.343 468 HD11 ILE 58 3HD1 ILE 58 3.123 1.577 -6.605 469 HD12 ILE 58 1HD1 ILE 58 3.995 0.127 -6.111 470 HD13 ILE 58 2HD1 ILE 58 3.910 1.516 -5.028 471 H ASN 59 H ASN 59 -0.645 1.639 -6.543 472 HA ASN 59 HA ASN 59 -2.548 -0.453 -7.215 473 HB2 ASN 59 2HB ASN 59 -2.907 0.804 -9.295 474 HB3 ASN 59 1HB ASN 59 -3.040 1.846 -7.886 475 HD21 ASN 59 1HD2 ASN 59 -2.600 3.717 -8.981 476 HD22 ASN 59 2HD2 ASN 59 -1.058 4.086 -9.656 477 H SER 60 H SER 60 -2.390 -1.594 -9.349 478 HA SER 60 HA SER 60 0.005 -3.094 -9.469 479 HB2 SER 60 2HB SER 60 -2.312 -2.967 -11.415 480 HB3 SER 60 1HB SER 60 -1.005 -4.151 -11.498 481 HG SER 60 HG SER 60 -1.734 -5.126 -9.726 482 H GLN 61 H GLN 61 -0.769 -0.110 -10.899 483 HA GLN 61 HA GLN 61 0.881 -0.347 -13.246 484 HB2 GLN 61 2HB GLN 61 -0.244 2.127 -11.905 485 HB3 GLN 61 1HB GLN 61 0.471 2.065 -13.512 486 HG2 GLN 61 2HG GLN 61 -1.319 0.590 -14.270 487 HG3 GLN 61 1HG GLN 61 -2.029 0.610 -12.657 488 HE21 GLN 61 1HE2 GLN 61 -1.494 2.425 -15.568 489 HE22 GLN 61 2HE2 GLN 61 -2.614 3.694 -15.217 490 H GLY 62 H GLY 62 1.534 0.133 -9.962 491 HA2 GLY 62 2HA GLY 62 3.618 0.337 -8.938 492 HA3 GLY 62 1HA GLY 62 4.332 0.692 -10.503 493 H LYS 63 H LYS 63 1.599 2.366 -9.014 494 HA LYS 63 HA LYS 63 3.291 4.718 -8.522 495 HB2 LYS 63 2HB LYS 63 0.789 4.677 -10.219 496 HB3 LYS 63 1HB LYS 63 1.452 6.154 -9.539 497 HG2 LYS 63 2HG LYS 63 3.552 5.749 -10.777 498 HG3 LYS 63 1HG LYS 63 2.825 4.311 -11.495 499 HD2 LYS 63 2HD LYS 63 2.697 6.168 -13.053 500 HD3 LYS 63 1HD LYS 63 1.079 5.726 -12.520 501 HE2 LYS 63 2HE LYS 63 2.602 7.934 -11.164 502 HE3 LYS 63 1HE LYS 63 1.716 8.235 -12.655 503 HZ1 LYS 63 3HZ LYS 63 -0.315 7.595 -11.599 504 HZ2 LYS 63 1HZ LYS 63 0.443 8.744 -10.618 505 HZ3 LYS 63 2HZ LYS 63 0.485 7.108 -10.195 506 H ILE 64 H ILE 64 2.258 6.364 -7.199 507 HA ILE 64 HA ILE 64 0.772 5.334 -5.001 508 HB ILE 64 HB ILE 64 1.396 8.189 -5.798 509 HG12 ILE 64 2HG1 ILE 64 2.663 6.351 -3.743 510 HG13 ILE 64 1HG1 ILE 64 3.374 6.813 -5.284 511 HG21 ILE 64 1HG2 ILE 64 0.788 8.821 -3.508 512 HG22 ILE 64 2HG2 ILE 64 0.276 7.166 -3.185 513 HG23 ILE 64 3HG2 ILE 64 -0.589 8.139 -4.374 514 HD11 ILE 64 3HD1 ILE 64 3.464 9.142 -4.529 515 HD12 ILE 64 1HD1 ILE 64 4.369 8.059 -3.470 516 HD13 ILE 64 2HD1 ILE 64 2.785 8.655 -2.975 517 H SER 65 H SER 65 -1.394 5.514 -4.490 518 HA SER 65 HA SER 65 -3.204 6.076 -6.713 519 HB2 SER 65 2HB SER 65 -4.919 5.026 -5.293 520 HB3 SER 65 1HB SER 65 -3.489 3.997 -5.411 521 HG SER 65 HG SER 65 -3.976 4.058 -3.270 522 H LEU 66 H LEU 66 -2.859 7.019 -3.304 523 HA LEU 66 HA LEU 66 -4.912 8.946 -3.261 524 HB2 LEU 66 2HB LEU 66 -2.426 8.782 -1.544 525 HB3 LEU 66 1HB LEU 66 -3.857 9.728 -1.177 526 HG LEU 66 HG LEU 66 -3.775 6.709 -1.368 527 HD11 LEU 66 1HD1 LEU 66 -2.543 7.510 0.573 528 HD12 LEU 66 2HD1 LEU 66 -4.056 6.749 1.065 529 HD13 LEU 66 3HD1 LEU 66 -3.916 8.508 1.054 530 HD21 LEU 66 3HD2 LEU 66 -6.032 6.826 -0.397 531 HD22 LEU 66 1HD2 LEU 66 -5.954 7.596 -1.981 532 HD23 LEU 66 2HD2 LEU 66 -5.986 8.585 -0.521 533 H LYS 67 H LYS 67 -4.928 11.157 -3.542 534 HA LYS 67 HA LYS 67 -2.465 12.393 -4.610 535 HB2 LYS 67 2HB LYS 67 -5.346 12.900 -5.377 536 HB3 LYS 67 1HB LYS 67 -4.026 13.968 -5.838 537 HG2 LYS 67 2HG LYS 67 -2.948 12.092 -7.020 538 HG3 LYS 67 1HG LYS 67 -4.320 11.065 -6.603 539 HD2 LYS 67 2HD LYS 67 -4.498 11.932 -8.894 540 HD3 LYS 67 1HD LYS 67 -5.818 12.508 -7.877 541 HE2 LYS 67 2HE LYS 67 -4.877 14.272 -9.342 542 HE3 LYS 67 1HE LYS 67 -4.756 14.662 -7.629 543 HZ1 LYS 67 3HZ LYS 67 -2.729 15.173 -8.904 544 HZ2 LYS 67 1HZ LYS 67 -2.537 13.528 -9.245 545 HZ3 LYS 67 2HZ LYS 67 -2.449 14.078 -7.649 546 H GLY 68 H GLY 68 -2.622 14.910 -4.433 547 HA2 GLY 68 2HA GLY 68 -2.808 16.784 -3.072 548 HA3 GLY 68 1HA GLY 68 -3.924 15.894 -2.048 549 H ARG 69 H ARG 69 -3.047 16.259 -0.040 550 HA ARG 69 HA ARG 69 -0.220 16.146 0.433 551 HB2 ARG 69 2HB ARG 69 -2.481 16.139 2.445 552 HB3 ARG 69 1HB ARG 69 -0.784 16.437 2.797 553 HG2 ARG 69 2HG ARG 69 -0.949 18.407 1.192 554 HG3 ARG 69 1HG ARG 69 -2.696 18.173 1.255 555 HD2 ARG 69 2HD ARG 69 -0.859 18.805 3.571 556 HD3 ARG 69 1HD ARG 69 -2.051 19.878 2.841 557 HE ARG 69 HE ARG 69 -3.178 17.449 3.886 558 HH11 ARG 69 1HH1 ARG 69 -2.291 20.707 4.591 559 HH12 ARG 69 2HH1 ARG 69 -3.268 20.772 6.016 560 HH21 ARG 69 1HH2 ARG 69 -4.434 17.564 5.699 561 HH22 ARG 69 2HH2 ARG 69 -4.468 19.018 6.633 562 H ASP 70 H ASP 70 -2.831 13.851 0.588 563 HA ASP 70 HA ASP 70 -1.609 11.845 2.139 564 HB2 ASP 70 2HB ASP 70 -3.639 11.655 -0.105 565 HB3 ASP 70 1HB ASP 70 -3.233 10.326 0.980 566 H LEU 71 H LEU 71 -1.161 12.807 -1.187 567 HA LEU 71 HA LEU 71 0.081 10.483 -2.196 568 HB2 LEU 71 2HB LEU 71 -0.807 12.458 -3.512 569 HB3 LEU 71 1HB LEU 71 0.638 13.334 -3.051 570 HG LEU 71 HG LEU 71 0.793 10.718 -4.560 571 HD11 LEU 71 1HD1 LEU 71 0.600 13.490 -5.741 572 HD12 LEU 71 2HD1 LEU 71 -0.614 12.216 -5.869 573 HD13 LEU 71 3HD1 LEU 71 0.963 12.010 -6.629 574 HD21 LEU 71 3HD2 LEU 71 2.968 11.590 -5.282 575 HD22 LEU 71 1HD2 LEU 71 2.871 11.495 -3.523 576 HD23 LEU 71 2HD2 LEU 71 2.705 13.053 -4.333 577 H ASP 72 H ASP 72 1.651 13.547 -1.137 578 HA ASP 72 HA ASP 72 4.252 12.442 -1.115 579 HB2 ASP 72 2HB ASP 72 4.915 14.460 0.143 580 HB3 ASP 72 1HB ASP 72 3.928 14.846 -1.261 581 H ARG 73 H ARG 73 1.712 12.495 1.291 582 HA ARG 73 HA ARG 73 3.146 11.817 3.589 583 HB2 ARG 73 2HB ARG 73 0.772 12.432 3.584 584 HB3 ARG 73 1HB ARG 73 0.374 10.927 2.766 585 HG2 ARG 73 2HG ARG 73 1.007 9.641 4.701 586 HG3 ARG 73 1HG ARG 73 1.622 11.087 5.511 587 HD2 ARG 73 2HD ARG 73 -1.254 10.538 4.748 588 HD3 ARG 73 1HD ARG 73 -0.575 10.521 6.379 589 HE ARG 73 HE ARG 73 -0.047 12.957 5.926 590 HH11 ARG 73 1HH1 ARG 73 -2.785 11.359 4.562 591 HH12 ARG 73 2HH1 ARG 73 -3.639 12.836 4.288 592 HH21 ARG 73 1HH2 ARG 73 -1.131 14.824 5.579 593 HH22 ARG 73 2HH2 ARG 73 -2.709 14.790 4.871 594 H GLN 74 H GLN 74 1.539 9.586 1.288 595 HA GLN 74 HA GLN 74 2.513 7.195 2.382 596 HB2 GLN 74 2HB GLN 74 0.687 7.188 0.794 597 HB3 GLN 74 1HB GLN 74 1.713 7.869 -0.461 598 HG2 GLN 74 2HG GLN 74 2.962 5.850 -0.651 599 HG3 GLN 74 1HG GLN 74 2.222 5.182 0.802 600 HE21 GLN 74 1HE2 GLN 74 1.543 3.349 -0.346 601 HE22 GLN 74 2HE2 GLN 74 0.210 3.401 -1.437 602 H LYS 75 H LYS 75 3.899 9.333 -0.075 603 HA LYS 75 HA LYS 75 6.130 7.792 -0.781 604 HB2 LYS 75 2HB LYS 75 5.540 9.679 -2.122 605 HB3 LYS 75 1HB LYS 75 5.690 10.781 -0.758 606 HG2 LYS 75 2HG LYS 75 8.069 10.531 -0.723 607 HG3 LYS 75 1HG LYS 75 8.002 9.233 -1.918 608 HD2 LYS 75 2HD LYS 75 7.260 10.771 -3.624 609 HD3 LYS 75 1HD LYS 75 7.118 12.079 -2.443 610 HE2 LYS 75 2HE LYS 75 9.714 10.662 -3.035 611 HE3 LYS 75 1HE LYS 75 9.197 12.116 -3.889 612 HZ1 LYS 75 3HZ LYS 75 9.616 11.896 -0.958 613 HZ2 LYS 75 1HZ LYS 75 9.156 13.295 -1.790 614 HZ3 LYS 75 2HZ LYS 75 10.682 12.619 -2.046 615 H GLN 76 H GLN 76 5.938 10.413 1.653 616 HA GLN 76 HA GLN 76 8.566 10.384 2.531 617 HB2 GLN 76 2HB GLN 76 6.031 10.969 4.084 618 HB3 GLN 76 1HB GLN 76 7.646 11.297 4.696 619 HG2 GLN 76 2HG GLN 76 6.591 12.473 2.135 620 HG3 GLN 76 1HG GLN 76 6.412 13.253 3.705 621 HE21 GLN 76 1HE2 GLN 76 8.647 12.342 1.205 622 HE22 GLN 76 2HE2 GLN 76 9.960 13.310 1.763 623 H LYS 77 H LYS 77 5.836 8.431 3.680 624 HA LYS 77 HA LYS 77 7.114 7.079 5.777 625 HB2 LYS 77 2HB LYS 77 4.815 6.345 3.968 626 HB3 LYS 77 1HB LYS 77 5.368 5.255 5.231 627 HG2 LYS 77 2HG LYS 77 4.391 8.075 5.677 628 HG3 LYS 77 1HG LYS 77 3.444 6.604 5.932 629 HD2 LYS 77 2HD LYS 77 5.099 5.851 7.600 630 HD3 LYS 77 1HD LYS 77 5.996 7.353 7.367 631 HE2 LYS 77 2HE LYS 77 3.990 8.608 8.103 632 HE3 LYS 77 1HE LYS 77 3.188 7.070 8.434 633 HZ1 LYS 77 3HZ LYS 77 4.110 7.921 10.451 634 HZ2 LYS 77 1HZ LYS 77 5.634 8.125 9.739 635 HZ3 LYS 77 2HZ LYS 77 5.020 6.569 9.994 636 H LEU 78 H LEU 78 6.803 6.182 2.351 637 HA LEU 78 HA LEU 78 8.129 3.680 2.627 638 HB2 LEU 78 2HB LEU 78 7.661 5.376 0.170 639 HB3 LEU 78 1HB LEU 78 8.195 3.703 0.157 640 HG LEU 78 HG LEU 78 5.548 4.660 1.269 641 HD11 LEU 78 1HD1 LEU 78 6.162 3.239 -1.319 642 HD12 LEU 78 2HD1 LEU 78 5.625 4.910 -1.147 643 HD13 LEU 78 3HD1 LEU 78 4.553 3.589 -0.689 644 HD21 LEU 78 3HD2 LEU 78 4.987 2.285 1.380 645 HD22 LEU 78 1HD2 LEU 78 6.385 2.657 2.385 646 HD23 LEU 78 2HD2 LEU 78 6.608 1.867 0.824 647 H GLU 79 H GLU 79 9.255 6.871 1.518 648 HA GLU 79 HA GLU 79 11.898 6.200 0.914 649 HB2 GLU 79 2HB GLU 79 10.854 8.763 2.139 650 HB3 GLU 79 1HB GLU 79 12.436 8.568 1.392 651 HG2 GLU 79 2HG GLU 79 11.339 8.057 -0.750 652 HG3 GLU 79 1HG GLU 79 9.768 8.314 0.010 653 H ALA 80 H ALA 80 10.439 7.099 4.026 654 HA ALA 80 HA ALA 80 12.747 7.052 5.613 655 HB1 ALA 80 3HB ALA 80 10.564 7.919 6.358 656 HB2 ALA 80 1HB ALA 80 11.254 6.772 7.507 657 HB3 ALA 80 2HB ALA 80 9.947 6.268 6.433 658 H GLU 81 H GLU 81 10.690 4.416 4.477 659 HA GLU 81 HA GLU 81 12.152 2.432 6.025 660 HB2 GLU 81 2HB GLU 81 9.983 2.045 3.946 661 HB3 GLU 81 1HB GLU 81 10.641 0.793 4.994 662 HG2 GLU 81 2HG GLU 81 9.880 2.282 6.934 663 HG3 GLU 81 1HG GLU 81 8.923 3.142 5.731 664 H GLY 82 H GLY 82 12.982 4.108 3.388 665 HA2 GLY 82 2HA GLY 82 14.983 3.775 2.218 666 HA3 GLY 82 1HA GLY 82 14.946 2.083 2.668 667 H ILE 83 H ILE 83 12.219 3.687 1.128 668 HA ILE 83 HA ILE 83 12.652 2.014 -1.261 669 HB ILE 83 HB ILE 83 10.141 3.348 -0.226 670 HG12 ILE 83 2HG1 ILE 83 10.930 0.426 -0.466 671 HG13 ILE 83 1HG1 ILE 83 10.837 1.351 1.030 672 HG21 ILE 83 1HG2 ILE 83 10.164 3.364 -2.679 673 HG22 ILE 83 2HG2 ILE 83 8.954 2.241 -2.060 674 HG23 ILE 83 3HG2 ILE 83 10.484 1.630 -2.692 675 HD11 ILE 83 3HD1 ILE 83 8.436 1.613 0.720 676 HD12 ILE 83 1HD1 ILE 83 8.905 -0.085 0.750 677 HD13 ILE 83 2HD1 ILE 83 8.527 0.697 -0.785 678 H GLU 84 H GLU 84 13.309 2.937 -3.098 679 HA GLU 84 HA GLU 84 13.529 5.774 -3.398 680 HB2 GLU 84 2HB GLU 84 14.404 5.237 -5.656 681 HB3 GLU 84 1HB GLU 84 15.202 4.328 -4.381 682 HG2 GLU 84 2HG GLU 84 13.746 2.392 -4.926 683 HG3 GLU 84 1HG GLU 84 13.104 3.309 -6.287 684 H VAL 85 H VAL 85 11.676 6.910 -3.566 685 HA VAL 85 HA VAL 85 9.545 5.975 -5.352 686 HB VAL 85 HB VAL 85 9.531 8.381 -3.511 687 HG11 VAL 85 1HG1 VAL 85 7.288 6.976 -4.974 688 HG12 VAL 85 2HG1 VAL 85 7.930 8.578 -5.338 689 HG13 VAL 85 3HG1 VAL 85 7.086 8.293 -3.816 690 HG21 VAL 85 3HG2 VAL 85 8.376 5.621 -3.063 691 HG22 VAL 85 1HG2 VAL 85 8.178 7.009 -1.992 692 HG23 VAL 85 2HG2 VAL 85 9.776 6.303 -2.234 693 H SER 86 H SER 86 9.550 6.616 -7.396 694 HA SER 86 HA SER 86 11.256 8.639 -8.416 695 HB2 SER 86 2HB SER 86 10.643 6.746 -9.804 696 HB3 SER 86 1HB SER 86 8.941 7.192 -9.717 697 HG SER 86 HG SER 86 11.044 8.649 -10.962 698 H GLU 87 H GLU 87 10.700 10.548 -9.539 699 HA GLU 87 HA GLU 87 9.615 12.477 -8.016 700 HB2 GLU 87 2HB GLU 87 10.995 12.930 -9.946 701 HB3 GLU 87 1HB GLU 87 9.723 12.389 -11.033 702 HG2 GLU 87 2HG GLU 87 8.333 14.270 -10.397 703 HG3 GLU 87 1HG GLU 87 9.536 14.787 -9.217 704 H ILE 88 H ILE 88 7.760 11.041 -10.737 705 HA ILE 88 HA ILE 88 5.444 12.612 -10.024 706 HB ILE 88 HB ILE 88 4.337 11.382 -11.940 707 HG12 ILE 88 2HG1 ILE 88 6.076 10.338 -13.553 708 HG13 ILE 88 1HG1 ILE 88 7.103 10.165 -12.138 709 HG21 ILE 88 1HG2 ILE 88 6.892 12.906 -12.462 710 HG22 ILE 88 2HG2 ILE 88 5.287 13.589 -12.205 711 HG23 ILE 88 3HG2 ILE 88 5.613 12.628 -13.647 712 HD11 ILE 88 3HD1 ILE 88 5.456 8.731 -11.092 713 HD12 ILE 88 1HD1 ILE 88 5.900 8.113 -12.681 714 HD13 ILE 88 2HD1 ILE 88 4.365 8.955 -12.460 715 H GLY 89 H GLY 89 6.428 10.460 -8.155 716 HA2 GLY 89 2HA GLY 89 5.348 9.195 -6.552 717 HA3 GLY 89 1HA GLY 89 3.826 9.533 -7.363 718 H LYS 90 H LYS 90 6.786 7.898 -8.493 719 HA LYS 90 HA LYS 90 5.132 5.514 -9.087 720 HB2 LYS 90 2HB LYS 90 5.961 6.779 -11.084 721 HB3 LYS 90 1HB LYS 90 7.601 6.427 -10.581 722 HG2 LYS 90 2HG LYS 90 5.643 4.212 -11.090 723 HG3 LYS 90 1HG LYS 90 6.504 4.987 -12.418 724 HD2 LYS 90 2HD LYS 90 8.651 4.404 -11.343 725 HD3 LYS 90 1HD LYS 90 7.767 3.594 -10.047 726 HE2 LYS 90 2HE LYS 90 8.569 1.978 -11.683 727 HE3 LYS 90 1HE LYS 90 6.807 2.037 -11.681 728 HZ1 LYS 90 3HZ LYS 90 6.853 3.380 -13.655 729 HZ2 LYS 90 1HZ LYS 90 7.754 1.976 -13.926 730 HZ3 LYS 90 2HZ LYS 90 8.542 3.444 -13.638 731 H ILE 91 H ILE 91 5.794 3.577 -8.333 732 HA ILE 91 HA ILE 91 8.337 3.481 -6.827 733 HB ILE 91 HB ILE 91 5.734 2.116 -6.104 734 HG12 ILE 91 2HG1 ILE 91 7.093 4.440 -4.716 735 HG13 ILE 91 1HG1 ILE 91 5.753 4.621 -5.843 736 HG21 ILE 91 1HG2 ILE 91 7.678 0.837 -5.383 737 HG22 ILE 91 2HG2 ILE 91 6.869 1.558 -3.991 738 HG23 ILE 91 3HG2 ILE 91 8.359 2.270 -4.615 739 HD11 ILE 91 3HD1 ILE 91 4.984 4.722 -3.562 740 HD12 ILE 91 1HD1 ILE 91 5.685 3.138 -3.230 741 HD13 ILE 91 2HD1 ILE 91 4.343 3.288 -4.364 742 H ALA 92 H ALA 92 9.562 1.616 -6.973 743 HA ALA 92 HA ALA 92 9.118 -0.028 -9.287 744 HB1 ALA 92 3HB ALA 92 11.275 -1.014 -8.765 745 HB2 ALA 92 1HB ALA 92 11.273 -0.225 -7.186 746 HB3 ALA 92 2HB ALA 92 11.358 0.744 -8.656 747 H LEU 93 H LEU 93 7.336 -1.324 -8.981 748 HA LEU 93 HA LEU 93 6.751 -2.846 -6.682 749 HB2 LEU 93 2HB LEU 93 5.904 -3.085 -9.557 750 HB3 LEU 93 1HB LEU 93 5.378 -4.250 -8.358 751 HG LEU 93 HG LEU 93 4.805 -1.279 -8.287 752 HD11 LEU 93 1HD1 LEU 93 3.004 -3.636 -8.873 753 HD12 LEU 93 2HD1 LEU 93 3.559 -2.435 -10.041 754 HD13 LEU 93 3HD1 LEU 93 2.489 -1.954 -8.726 755 HD21 LEU 93 3HD2 LEU 93 3.883 -3.506 -6.460 756 HD22 LEU 93 1HD2 LEU 93 3.350 -1.825 -6.393 757 HD23 LEU 93 2HD2 LEU 93 5.029 -2.233 -6.042 758 H ARG 94 H ARG 94 9.148 -3.355 -9.061 759 HA ARG 94 HA ARG 94 9.383 -6.212 -8.521 760 HB2 ARG 94 2HB ARG 94 9.839 -5.521 -10.774 761 HB3 ARG 94 1HB ARG 94 10.989 -4.304 -10.234 762 HG2 ARG 94 2HG ARG 94 12.516 -6.049 -9.486 763 HG3 ARG 94 1HG ARG 94 11.352 -7.288 -9.959 764 HD2 ARG 94 2HD ARG 94 13.127 -6.998 -11.635 765 HD3 ARG 94 1HD ARG 94 11.532 -6.618 -12.282 766 HE ARG 94 HE ARG 94 12.737 -4.254 -11.346 767 HH11 ARG 94 1HH1 ARG 94 13.090 -6.567 -13.877 768 HH12 ARG 94 2HH1 ARG 94 13.734 -5.411 -14.992 769 HH21 ARG 94 1HH2 ARG 94 13.580 -2.782 -12.787 770 HH22 ARG 94 2HH2 ARG 94 14.021 -3.301 -14.380 771 H LYS 95 H LYS 95 11.292 -3.268 -7.935 772 HA LYS 95 HA LYS 95 13.470 -4.571 -6.678 773 HB2 LYS 95 2HB LYS 95 12.729 -1.883 -7.410 774 HB3 LYS 95 1HB LYS 95 13.385 -1.879 -5.781 775 HG2 LYS 95 2HG LYS 95 14.820 -3.253 -8.035 776 HG3 LYS 95 1HG LYS 95 14.992 -1.520 -7.752 777 HD2 LYS 95 2HD LYS 95 15.458 -3.544 -5.566 778 HD3 LYS 95 1HD LYS 95 16.736 -3.068 -6.686 779 HE2 LYS 95 2HE LYS 95 15.170 -1.149 -4.955 780 HE3 LYS 95 1HE LYS 95 16.757 -1.800 -4.545 781 HZ1 LYS 95 3HZ LYS 95 16.178 -0.212 -6.987 782 HZ2 LYS 95 1HZ LYS 95 17.693 -0.740 -6.467 783 HZ3 LYS 95 2HZ LYS 95 16.850 0.424 -5.577 784 H TYR 96 H TYR 96 10.381 -3.627 -5.436 785 HA TYR 96 HA TYR 96 11.338 -4.148 -2.689 786 HB2 TYR 96 2HB TYR 96 9.331 -2.033 -3.510 787 HB3 TYR 96 1HB TYR 96 9.785 -2.425 -1.852 788 HD1 TYR 96 HD1 TYR 96 12.232 -2.119 -1.182 789 HD2 TYR 96 HD2 TYR 96 10.588 -0.462 -4.746 790 HE1 TYR 96 HE1 TYR 96 14.099 -0.527 -1.299 791 HE2 TYR 96 HE2 TYR 96 12.458 1.135 -4.865 792 HH TYR 96 HH TYR 96 15.242 0.858 -2.897 793 H LYS 97 H LYS 97 9.764 -5.708 -4.851 794 HA LYS 97 HA LYS 97 7.079 -5.922 -4.156 795 HB2 LYS 97 2HB LYS 97 8.097 -6.839 -6.216 796 HB3 LYS 97 1HB LYS 97 8.857 -8.102 -5.259 797 HG2 LYS 97 2HG LYS 97 6.746 -9.054 -4.693 798 HG3 LYS 97 1HG LYS 97 5.882 -7.677 -5.384 799 HD2 LYS 97 2HD LYS 97 6.621 -8.269 -7.606 800 HD3 LYS 97 1HD LYS 97 7.635 -9.563 -6.962 801 HE2 LYS 97 2HE LYS 97 5.667 -10.767 -6.202 802 HE3 LYS 97 1HE LYS 97 4.624 -9.439 -6.712 803 HZ1 LYS 97 3HZ LYS 97 5.213 -9.851 -8.984 804 HZ2 LYS 97 1HZ LYS 97 4.663 -11.290 -8.295 805 HZ3 LYS 97 2HZ LYS 97 6.317 -11.049 -8.541 806 H TRP 98 H TRP 98 6.020 -6.782 -2.496 807 HA TRP 98 HA TRP 98 7.195 -7.931 -0.254 808 HB2 TRP 98 2HB TRP 98 4.976 -7.000 -0.109 809 HB3 TRP 98 1HB TRP 98 4.358 -8.152 -1.287 810 HD1 TRP 98 HD1 TRP 98 6.588 -9.367 1.578 811 HE1 TRP 98 HE1 TRP 98 5.188 -10.830 3.162 812 HE3 TRP 98 HE3 TRP 98 1.965 -8.550 -0.451 813 HZ2 TRP 98 HZ2 TRP 98 2.483 -11.549 3.498 814 HZ3 TRP 98 HZ3 TRP 98 0.021 -9.667 0.564 815 HH2 TRP 98 HH2 TRP 98 0.280 -11.134 2.503 816 H GLN 99 H GLN 99 8.315 -9.768 -0.161 817 HA GLN 99 HA GLN 99 7.383 -12.115 -1.676 818 HB2 GLN 99 2HB GLN 99 9.731 -11.460 -2.028 819 HB3 GLN 99 1HB GLN 99 10.038 -11.618 -0.303 820 HG2 GLN 99 2HG GLN 99 9.546 -14.011 -0.434 821 HG3 GLN 99 1HG GLN 99 9.242 -13.852 -2.165 822 HE21 GLN 99 1HE2 GLN 99 10.994 -13.516 -3.562 823 HE22 GLN 99 2HE2 GLN 99 12.624 -13.791 -3.060 824 HA PRO 100 HA PRO 100 5.762 -13.122 2.496 825 HB2 PRO 100 2HB PRO 100 3.949 -14.953 1.606 826 HB3 PRO 100 1HB PRO 100 3.657 -13.211 1.595 827 HG2 PRO 100 2HG PRO 100 4.565 -14.990 -0.642 828 HG3 PRO 100 1HG PRO 100 3.333 -13.713 -0.661 829 HD2 PRO 100 2HD PRO 100 5.827 -13.297 -1.601 830 HD3 PRO 100 1HD PRO 100 4.911 -12.018 -0.779 831 H LEU 101 H LEU 101 7.675 -14.859 0.381 832 HA LEU 101 HA LEU 101 8.973 -16.701 0.550 833 HB2 LEU 101 2HB LEU 101 8.178 -16.661 3.467 834 HB3 LEU 101 1HB LEU 101 9.485 -17.610 2.782 835 HG LEU 101 HG LEU 101 9.361 -14.588 2.883 836 HD11 LEU 101 1HD1 LEU 101 9.769 -15.593 5.069 837 HD12 LEU 101 2HD1 LEU 101 11.206 -14.769 4.465 838 HD13 LEU 101 3HD1 LEU 101 11.106 -16.530 4.398 839 HD21 LEU 101 3HD2 LEU 101 11.522 -16.420 1.833 840 HD22 LEU 101 1HD2 LEU 101 11.674 -14.674 2.045 841 HD23 LEU 101 2HD2 LEU 101 10.519 -15.321 0.882 842 H GLU 102 H GLU 102 7.286 -17.648 -0.808 843 HA GLU 102 HA GLU 102 6.371 -20.163 0.314 844 HB2 GLU 102 2HB GLU 102 4.049 -19.768 -0.745 845 HB3 GLU 102 1HB GLU 102 4.400 -19.017 0.805 846 HG2 GLU 102 2HG GLU 102 4.833 -16.895 -0.285 847 HG3 GLU 102 1HG GLU 102 4.574 -17.630 -1.865 Start of MODEL 12 1 H1 MET 1 1H MET 1 -18.032 -2.612 12.506 2 H2 MET 1 2H MET 1 -17.031 -2.123 13.778 3 H3 MET 1 3H MET 1 -17.321 -3.771 13.518 4 HA MET 1 HA MET 1 -15.866 -1.931 11.705 5 HB2 MET 1 2HB MET 1 -14.662 -2.583 13.786 6 HB3 MET 1 1HB MET 1 -14.846 -4.272 13.337 7 HG2 MET 1 2HG MET 1 -12.619 -3.402 12.819 8 HG3 MET 1 1HG MET 1 -13.478 -3.936 11.372 9 HE1 MET 1 3HE MET 1 -11.516 -2.565 10.046 10 HE2 MET 1 1HE MET 1 -10.853 -1.973 11.567 11 HE3 MET 1 2HE MET 1 -11.236 -0.838 10.274 12 H ASP 2 H ASP 2 -16.362 -2.453 9.677 13 HA ASP 2 HA ASP 2 -17.682 -4.706 8.775 14 HB2 ASP 2 2HB ASP 2 -15.775 -2.944 7.218 15 HB3 ASP 2 1HB ASP 2 -16.982 -4.015 6.514 16 H GLN 3 H GLN 3 -17.129 -6.764 8.303 17 HA GLN 3 HA GLN 3 -14.633 -7.867 8.910 18 HB2 GLN 3 2HB GLN 3 -16.704 -8.995 7.011 19 HB3 GLN 3 1HB GLN 3 -15.405 -9.899 7.775 20 HG2 GLN 3 2HG GLN 3 -17.787 -8.637 9.120 21 HG3 GLN 3 1HG GLN 3 -17.445 -10.354 8.932 22 HE21 GLN 3 1HE2 GLN 3 -15.821 -11.294 10.211 23 HE22 GLN 3 2HE2 GLN 3 -15.256 -10.536 11.656 24 H PHE 4 H PHE 4 -15.813 -6.469 5.922 25 HA PHE 4 HA PHE 4 -13.829 -7.292 4.139 26 HB2 PHE 4 2HB PHE 4 -15.707 -6.067 3.290 27 HB3 PHE 4 1HB PHE 4 -15.372 -4.693 4.338 28 HD1 PHE 4 HD1 PHE 4 -13.784 -6.668 1.588 29 HD2 PHE 4 HD2 PHE 4 -14.261 -2.863 3.445 30 HE1 PHE 4 HE1 PHE 4 -12.454 -5.628 -0.201 31 HE2 PHE 4 HE2 PHE 4 -12.932 -1.820 1.657 32 HZ PHE 4 HZ PHE 4 -12.025 -3.203 -0.167 33 H LEU 5 H LEU 5 -13.867 -4.454 6.282 34 HA LEU 5 HA LEU 5 -11.270 -3.528 5.658 35 HB2 LEU 5 2HB LEU 5 -12.857 -3.138 8.203 36 HB3 LEU 5 1HB LEU 5 -11.489 -2.170 7.687 37 HG LEU 5 HG LEU 5 -14.144 -2.333 6.245 38 HD11 LEU 5 1HD1 LEU 5 -12.992 -0.129 7.955 39 HD12 LEU 5 2HD1 LEU 5 -14.332 -1.189 8.394 40 HD13 LEU 5 3HD1 LEU 5 -14.506 -0.060 7.051 41 HD21 LEU 5 3HD2 LEU 5 -11.755 -0.550 5.756 42 HD22 LEU 5 1HD2 LEU 5 -13.294 -0.486 4.897 43 HD23 LEU 5 2HD2 LEU 5 -12.255 -1.902 4.740 44 H VAL 6 H VAL 6 -12.490 -5.616 8.259 45 HA VAL 6 HA VAL 6 -10.138 -5.921 9.730 46 HB VAL 6 HB VAL 6 -12.314 -7.990 9.317 47 HG11 VAL 6 1HG1 VAL 6 -11.605 -8.877 11.487 48 HG12 VAL 6 2HG1 VAL 6 -10.299 -7.692 11.549 49 HG13 VAL 6 3HG1 VAL 6 -10.295 -8.945 10.306 50 HG21 VAL 6 3HG2 VAL 6 -13.299 -7.071 11.379 51 HG22 VAL 6 1HG2 VAL 6 -13.243 -5.872 10.085 52 HG23 VAL 6 2HG2 VAL 6 -12.065 -5.810 11.397 53 H GLN 7 H GLN 7 -11.366 -7.941 7.053 54 HA GLN 7 HA GLN 7 -9.286 -9.836 7.086 55 HB2 GLN 7 2HB GLN 7 -11.151 -8.993 4.864 56 HB3 GLN 7 1HB GLN 7 -10.047 -10.354 4.738 57 HG2 GLN 7 2HG GLN 7 -12.253 -10.079 6.776 58 HG3 GLN 7 1HG GLN 7 -12.333 -11.041 5.300 59 HE21 GLN 7 1HE2 GLN 7 -11.037 -10.828 8.509 60 HE22 GLN 7 2HE2 GLN 7 -10.415 -12.435 8.579 61 H ILE 8 H ILE 8 -9.698 -6.990 4.930 62 HA ILE 8 HA ILE 8 -7.344 -7.428 3.455 63 HB ILE 8 HB ILE 8 -7.501 -5.069 2.734 64 HG12 ILE 8 2HG1 ILE 8 -9.782 -4.920 4.733 65 HG13 ILE 8 1HG1 ILE 8 -8.257 -4.048 4.836 66 HG21 ILE 8 1HG2 ILE 8 -10.136 -6.547 2.747 67 HG22 ILE 8 2HG2 ILE 8 -8.811 -6.788 1.608 68 HG23 ILE 8 3HG2 ILE 8 -9.683 -5.257 1.633 69 HD11 ILE 8 3HD1 ILE 8 -10.372 -3.678 2.723 70 HD12 ILE 8 1HD1 ILE 8 -8.837 -2.811 2.805 71 HD13 ILE 8 2HD1 ILE 8 -10.038 -2.599 4.078 72 H PHE 9 H PHE 9 -7.871 -5.389 6.346 73 HA PHE 9 HA PHE 9 -5.227 -4.415 6.545 74 HB2 PHE 9 2HB PHE 9 -7.252 -4.891 8.751 75 HB3 PHE 9 1HB PHE 9 -5.778 -3.947 8.922 76 HD1 PHE 9 HD1 PHE 9 -6.397 -2.927 5.850 77 HD2 PHE 9 HD2 PHE 9 -8.372 -2.819 9.626 78 HE1 PHE 9 HE1 PHE 9 -7.610 -0.905 5.157 79 HE2 PHE 9 HE2 PHE 9 -9.583 -0.795 8.932 80 HZ PHE 9 HZ PHE 9 -9.205 0.165 6.699 81 H ALA 10 H ALA 10 -6.786 -7.287 7.935 82 HA ALA 10 HA ALA 10 -4.706 -8.247 9.509 83 HB1 ALA 10 3HB ALA 10 -6.957 -9.177 9.573 84 HB2 ALA 10 1HB ALA 10 -5.759 -10.445 9.307 85 HB3 ALA 10 2HB ALA 10 -6.736 -9.856 7.960 86 H VAL 11 H VAL 11 -5.131 -8.451 6.024 87 HA VAL 11 HA VAL 11 -2.987 -10.316 5.586 88 HB VAL 11 HB VAL 11 -4.287 -8.398 3.633 89 HG11 VAL 11 1HG1 VAL 11 -2.552 -10.824 3.135 90 HG12 VAL 11 2HG1 VAL 11 -2.120 -9.142 2.821 91 HG13 VAL 11 3HG1 VAL 11 -3.409 -9.909 1.894 92 HG21 VAL 11 3HG2 VAL 11 -5.909 -9.949 4.607 93 HG22 VAL 11 1HG2 VAL 11 -4.880 -11.315 4.173 94 HG23 VAL 11 2HG2 VAL 11 -5.616 -10.327 2.911 95 H ILE 12 H ILE 12 -3.301 -6.789 5.469 96 HA ILE 12 HA ILE 12 -0.843 -6.135 4.321 97 HB ILE 12 HB ILE 12 -2.394 -4.561 6.390 98 HG12 ILE 12 2HG1 ILE 12 -2.476 -4.416 3.358 99 HG13 ILE 12 1HG1 ILE 12 -3.703 -5.175 4.366 100 HG21 ILE 12 1HG2 ILE 12 -0.292 -3.639 4.422 101 HG22 ILE 12 2HG2 ILE 12 -0.112 -3.734 6.175 102 HG23 ILE 12 3HG2 ILE 12 -1.250 -2.589 5.466 103 HD11 ILE 12 3HD1 ILE 12 -4.194 -3.017 5.394 104 HD12 ILE 12 1HD1 ILE 12 -4.396 -2.970 3.642 105 HD13 ILE 12 2HD1 ILE 12 -2.962 -2.259 4.384 106 H HIS 13 H HIS 13 -1.613 -6.895 7.693 107 HA HIS 13 HA HIS 13 0.757 -6.005 8.893 108 HB2 HIS 13 2HB HIS 13 -1.151 -8.203 9.680 109 HB3 HIS 13 1HB HIS 13 0.247 -7.779 10.666 110 HD2 HIS 13 HD2 HIS 13 -3.342 -6.650 10.063 111 HE1 HIS 13 HE1 HIS 13 -1.436 -3.668 12.382 112 HE2 HIS 13 HE2 HIS 13 -3.659 -4.639 11.668 113 H GLN 14 H GLN 14 0.540 -8.522 6.629 114 HA GLN 14 HA GLN 14 2.870 -9.953 7.682 115 HB2 GLN 14 2HB GLN 14 0.934 -10.491 5.455 116 HB3 GLN 14 1HB GLN 14 2.503 -11.283 5.440 117 HG2 GLN 14 2HG GLN 14 0.844 -12.725 6.428 118 HG3 GLN 14 1HG GLN 14 2.034 -12.251 7.635 119 HE21 GLN 14 1HE2 GLN 14 -0.590 -10.222 6.501 120 HE22 GLN 14 2HE2 GLN 14 -1.441 -10.189 7.996 121 H ILE 15 H ILE 15 2.474 -7.201 5.890 122 HA ILE 15 HA ILE 15 4.588 -7.676 3.958 123 HB ILE 15 HB ILE 15 3.227 -5.059 4.642 124 HG12 ILE 15 2HG1 ILE 15 2.578 -7.057 2.451 125 HG13 ILE 15 1HG1 ILE 15 1.602 -6.767 3.887 126 HG21 ILE 15 1HG2 ILE 15 4.018 -4.363 2.412 127 HG22 ILE 15 2HG2 ILE 15 4.861 -5.903 2.241 128 HG23 ILE 15 3HG2 ILE 15 5.353 -4.761 3.493 129 HD11 ILE 15 3HD1 ILE 15 1.187 -4.477 3.141 130 HD12 ILE 15 1HD1 ILE 15 0.661 -5.662 1.946 131 HD13 ILE 15 2HD1 ILE 15 2.164 -4.773 1.702 132 HA PRO 16 HA PRO 16 7.696 -6.431 6.988 133 HB2 PRO 16 2HB PRO 16 9.693 -7.053 4.968 134 HB3 PRO 16 1HB PRO 16 9.306 -7.932 6.447 135 HG2 PRO 16 2HG PRO 16 8.792 -8.906 3.950 136 HG3 PRO 16 1HG PRO 16 7.846 -9.343 5.384 137 HD2 PRO 16 2HD PRO 16 7.213 -7.347 3.232 138 HD3 PRO 16 1HD PRO 16 6.149 -8.538 4.017 139 H LYS 17 H LYS 17 9.692 -5.020 6.975 140 HA LYS 17 HA LYS 17 9.038 -2.490 5.873 141 HB2 LYS 17 2HB LYS 17 10.216 -2.683 8.008 142 HB3 LYS 17 1HB LYS 17 11.602 -3.406 7.199 143 HG2 LYS 17 2HG LYS 17 12.039 -1.357 6.002 144 HG3 LYS 17 1HG LYS 17 10.572 -0.625 6.652 145 HD2 LYS 17 2HD LYS 17 11.516 -0.782 8.922 146 HD3 LYS 17 1HD LYS 17 12.991 -1.487 8.251 147 HE2 LYS 17 2HE LYS 17 11.903 1.259 7.595 148 HE3 LYS 17 1HE LYS 17 13.225 0.926 8.711 149 HZ1 LYS 17 3HZ LYS 17 13.942 1.601 6.455 150 HZ2 LYS 17 1HZ LYS 17 13.267 0.181 5.839 151 HZ3 LYS 17 2HZ LYS 17 14.555 0.102 6.931 152 H GLY 18 H GLY 18 9.700 -1.451 4.088 153 HA2 GLY 18 2HA GLY 18 11.052 -0.903 2.264 154 HA3 GLY 18 1HA GLY 18 12.072 -2.284 2.622 155 H LYS 19 H LYS 19 8.857 -3.248 2.562 156 HA LYS 19 HA LYS 19 8.982 -3.957 -0.304 157 HB2 LYS 19 2HB LYS 19 7.964 -5.673 1.978 158 HB3 LYS 19 1HB LYS 19 7.801 -6.076 0.275 159 HG2 LYS 19 2HG LYS 19 10.397 -5.780 1.788 160 HG3 LYS 19 1HG LYS 19 9.640 -7.297 1.299 161 HD2 LYS 19 2HD LYS 19 9.831 -6.514 -1.087 162 HD3 LYS 19 1HD LYS 19 10.781 -5.151 -0.497 163 HE2 LYS 19 2HE LYS 19 11.478 -8.077 -0.181 164 HE3 LYS 19 1HE LYS 19 12.231 -6.946 -1.305 165 HZ1 LYS 19 3HZ LYS 19 13.028 -5.663 0.589 166 HZ2 LYS 19 1HZ LYS 19 13.587 -7.258 0.654 167 HZ3 LYS 19 2HZ LYS 19 12.322 -6.767 1.661 168 H VAL 20 H VAL 20 7.064 -3.904 -1.464 169 HA VAL 20 HA VAL 20 4.642 -2.962 -0.080 170 HB VAL 20 HB VAL 20 4.153 -1.411 -1.935 171 HG11 VAL 20 1HG1 VAL 20 5.214 -0.516 0.053 172 HG12 VAL 20 2HG1 VAL 20 5.818 0.319 -1.378 173 HG13 VAL 20 3HG1 VAL 20 6.810 -0.908 -0.589 174 HG21 VAL 20 3HG2 VAL 20 5.899 -0.815 -3.559 175 HG22 VAL 20 1HG2 VAL 20 5.416 -2.506 -3.712 176 HG23 VAL 20 2HG2 VAL 20 6.932 -2.091 -2.912 177 H SER 21 H SER 21 2.655 -3.426 -1.169 178 HA SER 21 HA SER 21 2.823 -5.334 -3.416 179 HB2 SER 21 2HB SER 21 1.071 -6.727 -2.407 180 HB3 SER 21 1HB SER 21 2.469 -6.627 -1.337 181 HG SER 21 HG SER 21 0.860 -6.195 0.012 182 H THR 22 H THR 22 0.560 -5.691 -4.384 183 HA THR 22 HA THR 22 -0.669 -3.041 -4.744 184 HB THR 22 HB THR 22 -1.658 -3.918 -6.791 185 HG1 THR 22 HG1 THR 22 -0.277 -6.365 -6.341 186 HG21 THR 22 3HG2 THR 22 0.385 -4.340 -8.080 187 HG22 THR 22 1HG2 THR 22 1.274 -4.636 -6.587 188 HG23 THR 22 2HG2 THR 22 0.626 -3.030 -6.924 189 H TYR 23 H TYR 23 -2.927 -2.740 -4.728 190 HA TYR 23 HA TYR 23 -4.383 -3.943 -2.696 191 HB2 TYR 23 2HB TYR 23 -5.381 -2.490 -5.155 192 HB3 TYR 23 1HB TYR 23 -6.395 -2.908 -3.776 193 HD1 TYR 23 HD2 TYR 23 -5.383 -2.133 -1.439 194 HD2 TYR 23 HD1 TYR 23 -4.483 -0.342 -5.192 195 HE1 TYR 23 HE2 TYR 23 -4.702 -0.081 -0.287 196 HE2 TYR 23 HE1 TYR 23 -3.799 1.720 -4.043 197 HH TYR 23 HH TYR 23 -3.189 1.866 -0.743 198 H GLY 24 H GLY 24 -4.179 -4.880 -6.098 199 HA2 GLY 24 2HA GLY 24 -6.304 -6.719 -6.192 200 HA3 GLY 24 1HA GLY 24 -4.861 -6.786 -7.192 201 H GLU 25 H GLU 25 -2.959 -7.127 -5.103 202 HA GLU 25 HA GLU 25 -3.129 -9.944 -4.688 203 HB2 GLU 25 2HB GLU 25 -1.202 -7.898 -3.549 204 HB3 GLU 25 1HB GLU 25 -0.999 -9.642 -3.428 205 HG2 GLU 25 2HG GLU 25 -0.814 -9.826 -5.836 206 HG3 GLU 25 1HG GLU 25 -1.138 -8.105 -6.019 207 H ILE 26 H ILE 26 -3.214 -7.180 -2.430 208 HA ILE 26 HA ILE 26 -3.635 -8.614 -0.062 209 HB ILE 26 HB ILE 26 -4.595 -5.823 -0.759 210 HG12 ILE 26 2HG1 ILE 26 -2.158 -6.100 -1.005 211 HG13 ILE 26 1HG1 ILE 26 -2.540 -5.062 0.365 212 HG21 ILE 26 1HG2 ILE 26 -4.609 -5.439 1.685 213 HG22 ILE 26 2HG2 ILE 26 -4.279 -7.154 1.937 214 HG23 ILE 26 3HG2 ILE 26 -5.789 -6.649 1.179 215 HD11 ILE 26 3HD1 ILE 26 -2.136 -6.928 1.892 216 HD12 ILE 26 1HD1 ILE 26 -0.724 -6.579 0.893 217 HD13 ILE 26 2HD1 ILE 26 -1.749 -7.964 0.518 218 H ALA 27 H ALA 27 -6.075 -7.117 -2.210 219 HA ALA 27 HA ALA 27 -8.357 -7.900 -0.785 220 HB1 ALA 27 3HB ALA 27 -8.063 -7.463 -3.759 221 HB2 ALA 27 1HB ALA 27 -8.416 -6.223 -2.555 222 HB3 ALA 27 2HB ALA 27 -9.587 -7.505 -2.871 223 H LYS 28 H LYS 28 -6.573 -9.595 -3.358 224 HA LYS 28 HA LYS 28 -8.294 -11.793 -3.680 225 HB2 LYS 28 2HB LYS 28 -6.385 -11.244 -5.184 226 HB3 LYS 28 1HB LYS 28 -5.273 -11.765 -3.924 227 HG2 LYS 28 2HG LYS 28 -6.354 -14.027 -4.025 228 HG3 LYS 28 1HG LYS 28 -7.250 -13.466 -5.436 229 HD2 LYS 28 2HD LYS 28 -4.236 -13.543 -5.221 230 HD3 LYS 28 1HD LYS 28 -5.216 -14.781 -5.999 231 HE2 LYS 28 2HE LYS 28 -4.393 -13.399 -7.738 232 HE3 LYS 28 1HE LYS 28 -6.086 -12.960 -7.530 233 HZ1 LYS 28 3HZ LYS 28 -4.452 -11.080 -7.783 234 HZ2 LYS 28 1HZ LYS 28 -3.885 -11.457 -6.236 235 HZ3 LYS 28 2HZ LYS 28 -5.493 -10.970 -6.459 236 H MET 29 H MET 29 -5.480 -11.383 -1.530 237 HA MET 29 HA MET 29 -5.635 -13.948 -0.320 238 HB2 MET 29 2HB MET 29 -4.396 -11.399 0.754 239 HB3 MET 29 1HB MET 29 -4.084 -13.021 1.357 240 HG2 MET 29 2HG MET 29 -3.109 -13.639 -0.800 241 HG3 MET 29 1HG MET 29 -3.428 -12.017 -1.408 242 HE1 MET 29 3HE MET 29 -0.559 -13.179 -1.688 243 HE2 MET 29 1HE MET 29 0.432 -11.845 -1.100 244 HE3 MET 29 2HE MET 29 -0.974 -11.519 -2.114 245 H ALA 30 H ALA 30 -7.192 -10.894 0.361 246 HA ALA 30 HA ALA 30 -8.163 -11.632 2.967 247 HB1 ALA 30 3HB ALA 30 -9.047 -9.389 1.147 248 HB2 ALA 30 1HB ALA 30 -7.771 -9.290 2.360 249 HB3 ALA 30 2HB ALA 30 -9.441 -9.557 2.858 250 H GLY 31 H GLY 31 -9.240 -12.200 -0.267 251 HA2 GLY 31 2HA GLY 31 -10.910 -13.782 -0.816 252 HA3 GLY 31 1HA GLY 31 -11.629 -13.560 0.770 253 H TYR 32 H TYR 32 -10.790 -10.824 -1.250 254 HA TYR 32 HA TYR 32 -13.619 -10.491 -2.024 255 HB2 TYR 32 2HB TYR 32 -11.807 -8.305 -0.959 256 HB3 TYR 32 1HB TYR 32 -13.434 -8.065 -1.584 257 HD1 TYR 32 HD2 TYR 32 -11.455 -9.429 1.208 258 HD2 TYR 32 HD1 TYR 32 -15.376 -8.626 -0.253 259 HE1 TYR 32 HE2 TYR 32 -12.371 -9.816 3.454 260 HE2 TYR 32 HE1 TYR 32 -16.297 -9.011 1.994 261 HH TYR 32 HH TYR 32 -14.310 -9.275 4.774 262 HA PRO 33 HA PRO 33 -10.772 -10.242 -5.694 263 HB2 PRO 33 2HB PRO 33 -12.482 -11.484 -7.428 264 HB3 PRO 33 1HB PRO 33 -11.368 -12.355 -6.370 265 HG2 PRO 33 2HG PRO 33 -14.289 -11.793 -5.991 266 HG3 PRO 33 1HG PRO 33 -13.394 -13.299 -5.703 267 HD2 PRO 33 2HD PRO 33 -14.074 -11.628 -3.692 268 HD3 PRO 33 1HD PRO 33 -12.563 -12.563 -3.668 269 H GLY 34 H GLY 34 -10.729 -8.205 -6.468 270 HA2 GLY 34 2HA GLY 34 -11.503 -6.752 -8.237 271 HA3 GLY 34 1HA GLY 34 -13.152 -7.199 -7.837 272 H TYR 35 H TYR 35 -12.131 -6.829 -4.876 273 HA TYR 35 HA TYR 35 -13.135 -4.122 -4.668 274 HB2 TYR 35 2HB TYR 35 -12.378 -6.245 -2.676 275 HB3 TYR 35 1HB TYR 35 -12.705 -4.599 -2.152 276 HD1 TYR 35 HD1 TYR 35 -14.234 -7.413 -4.079 277 HD2 TYR 35 HD2 TYR 35 -14.897 -3.942 -1.700 278 HE1 TYR 35 HE1 TYR 35 -16.643 -7.910 -4.030 279 HE2 TYR 35 HE2 TYR 35 -17.304 -4.428 -1.650 280 HH TYR 35 HH TYR 35 -18.960 -5.663 -2.606 281 H ALA 36 H ALA 36 -10.327 -4.759 -5.759 282 HA ALA 36 HA ALA 36 -8.282 -3.993 -4.090 283 HB1 ALA 36 3HB ALA 36 -7.054 -3.339 -6.097 284 HB2 ALA 36 1HB ALA 36 -8.559 -3.312 -7.020 285 HB3 ALA 36 2HB ALA 36 -7.953 -4.832 -6.364 286 H ARG 37 H ARG 37 -10.134 -1.777 -6.207 287 HA ARG 37 HA ARG 37 -8.939 0.609 -5.370 288 HB2 ARG 37 2HB ARG 37 -10.372 0.446 -7.357 289 HB3 ARG 37 1HB ARG 37 -11.777 0.164 -6.336 290 HG2 ARG 37 2HG ARG 37 -11.535 2.401 -5.376 291 HG3 ARG 37 1HG ARG 37 -10.114 2.682 -6.380 292 HD2 ARG 37 2HD ARG 37 -12.924 2.180 -7.366 293 HD3 ARG 37 1HD ARG 37 -12.092 3.734 -7.345 294 HE ARG 37 HE ARG 37 -10.630 1.785 -8.816 295 HH11 ARG 37 1HH1 ARG 37 -13.276 3.976 -9.012 296 HH12 ARG 37 2HH1 ARG 37 -13.229 4.042 -10.737 297 HH21 ARG 37 1HH2 ARG 37 -10.554 1.896 -11.014 298 HH22 ARG 37 2HH2 ARG 37 -11.695 2.881 -11.867 299 H HIS 38 H HIS 38 -11.652 -1.174 -3.985 300 HA HIS 38 HA HIS 38 -12.481 0.857 -2.179 301 HB2 HIS 38 2HB HIS 38 -12.977 -2.128 -2.115 302 HB3 HIS 38 1HB HIS 38 -13.809 -0.943 -1.108 303 HD2 HIS 38 HD2 HIS 38 -13.632 -2.045 -4.854 304 HE1 HIS 38 HE1 HIS 38 -16.957 0.509 -4.302 305 HE2 HIS 38 HE2 HIS 38 -15.863 -1.175 -5.847 306 H VAL 39 H VAL 39 -10.183 -1.815 -1.897 307 HA VAL 39 HA VAL 39 -9.574 -1.552 0.837 308 HB VAL 39 HB VAL 39 -7.647 -2.226 -1.406 309 HG11 VAL 39 1HG1 VAL 39 -7.507 -2.846 1.549 310 HG12 VAL 39 2HG1 VAL 39 -6.487 -1.706 0.670 311 HG13 VAL 39 3HG1 VAL 39 -6.381 -3.432 0.324 312 HG21 VAL 39 3HG2 VAL 39 -9.390 -4.067 0.241 313 HG22 VAL 39 1HG2 VAL 39 -8.174 -4.576 -0.933 314 HG23 VAL 39 2HG2 VAL 39 -9.600 -3.688 -1.468 315 H GLY 40 H GLY 40 -8.358 0.175 -2.020 316 HA2 GLY 40 2HA GLY 40 -6.502 1.855 -0.701 317 HA3 GLY 40 1HA GLY 40 -7.283 2.199 -2.236 318 H LYS 41 H LYS 41 -9.939 2.381 -1.487 319 HA LYS 41 HA LYS 41 -10.114 5.001 -0.455 320 HB2 LYS 41 2HB LYS 41 -12.352 2.968 -0.572 321 HB3 LYS 41 1HB LYS 41 -12.519 4.717 -0.516 322 HG2 LYS 41 2HG LYS 41 -11.331 4.806 -2.728 323 HG3 LYS 41 1HG LYS 41 -11.440 3.049 -2.779 324 HD2 LYS 41 2HD LYS 41 -13.742 5.006 -2.719 325 HD3 LYS 41 1HD LYS 41 -13.226 4.027 -4.088 326 HE2 LYS 41 2HE LYS 41 -15.068 2.865 -3.273 327 HE3 LYS 41 1HE LYS 41 -13.713 2.007 -2.546 328 HZ1 LYS 41 3HZ LYS 41 -15.228 4.145 -1.156 329 HZ2 LYS 41 1HZ LYS 41 -14.102 3.080 -0.481 330 HZ3 LYS 41 2HZ LYS 41 -15.595 2.501 -1.017 331 H ALA 42 H ALA 42 -10.046 1.926 1.126 332 HA ALA 42 HA ALA 42 -11.089 2.856 3.651 333 HB1 ALA 42 3HB ALA 42 -9.587 0.329 2.964 334 HB2 ALA 42 1HB ALA 42 -11.337 0.520 3.019 335 HB3 ALA 42 2HB ALA 42 -10.389 0.658 4.501 336 H LEU 43 H LEU 43 -7.849 2.102 2.351 337 HA LEU 43 HA LEU 43 -6.425 2.647 4.739 338 HB2 LEU 43 2HB LEU 43 -5.468 2.726 1.874 339 HB3 LEU 43 1HB LEU 43 -4.420 2.776 3.279 340 HG LEU 43 HG LEU 43 -6.163 0.465 2.401 341 HD11 LEU 43 1HD1 LEU 43 -3.165 0.693 2.671 342 HD12 LEU 43 2HD1 LEU 43 -4.059 0.789 1.155 343 HD13 LEU 43 3HD1 LEU 43 -4.072 -0.706 2.091 344 HD21 LEU 43 3HD2 LEU 43 -5.208 -0.757 4.316 345 HD22 LEU 43 1HD2 LEU 43 -6.216 0.596 4.826 346 HD23 LEU 43 2HD2 LEU 43 -4.459 0.734 4.883 347 H GLY 44 H GLY 44 -7.411 4.729 2.059 348 HA2 GLY 44 2HA GLY 44 -5.810 6.964 2.557 349 HA3 GLY 44 1HA GLY 44 -7.405 7.017 1.829 350 H ASN 45 H ASN 45 -8.464 5.778 4.430 351 HA ASN 45 HA ASN 45 -9.039 8.298 5.733 352 HB2 ASN 45 2HB ASN 45 -10.827 6.677 5.403 353 HB3 ASN 45 1HB ASN 45 -9.948 5.470 6.336 354 HD21 ASN 45 1HD2 ASN 45 -9.902 5.634 8.565 355 HD22 ASN 45 2HD2 ASN 45 -10.947 6.689 9.438 356 H LEU 46 H LEU 46 -6.806 5.723 6.214 357 HA LEU 46 HA LEU 46 -6.504 5.884 9.035 358 HB2 LEU 46 2HB LEU 46 -4.728 4.822 6.844 359 HB3 LEU 46 1HB LEU 46 -4.268 4.752 8.536 360 HG LEU 46 HG LEU 46 -6.786 3.489 7.434 361 HD11 LEU 46 1HD1 LEU 46 -4.118 2.206 8.024 362 HD12 LEU 46 2HD1 LEU 46 -4.836 2.431 6.429 363 HD13 LEU 46 3HD1 LEU 46 -5.603 1.354 7.596 364 HD21 LEU 46 3HD2 LEU 46 -6.835 4.048 9.829 365 HD22 LEU 46 1HD2 LEU 46 -5.346 3.131 10.070 366 HD23 LEU 46 2HD2 LEU 46 -6.823 2.305 9.561 367 HA PRO 47 HA PRO 47 -3.989 9.553 9.313 368 HB2 PRO 47 2HB PRO 47 -3.219 9.380 11.873 369 HB3 PRO 47 1HB PRO 47 -4.913 9.648 11.441 370 HG2 PRO 47 2HG PRO 47 -3.549 7.100 12.251 371 HG3 PRO 47 1HG PRO 47 -5.121 7.740 12.769 372 HD2 PRO 47 2HD PRO 47 -4.805 5.830 10.811 373 HD3 PRO 47 1HD PRO 47 -6.195 6.931 10.908 374 H GLU 48 H GLU 48 -1.748 10.123 10.442 375 HA GLU 48 HA GLU 48 0.250 8.615 9.026 376 HB2 GLU 48 2HB GLU 48 0.641 10.884 11.005 377 HB3 GLU 48 1HB GLU 48 1.842 10.267 9.882 378 HG2 GLU 48 2HG GLU 48 0.988 12.323 9.021 379 HG3 GLU 48 1HG GLU 48 0.402 11.011 8.001 380 H GLY 49 H GLY 49 -0.702 9.035 12.398 381 HA2 GLY 49 2HA GLY 49 1.447 7.256 13.306 382 HA3 GLY 49 1HA GLY 49 0.394 8.216 14.327 383 H SER 50 H SER 50 -0.145 5.671 11.855 384 HA SER 50 HA SER 50 -1.840 4.246 13.798 385 HB2 SER 50 2HB SER 50 -2.924 4.596 11.651 386 HB3 SER 50 1HB SER 50 -1.556 3.876 10.802 387 HG SER 50 HG SER 50 -3.602 2.658 12.257 388 H LYS 51 H LYS 51 -1.627 1.909 14.000 389 HA LYS 51 HA LYS 51 1.151 1.044 13.991 390 HB2 LYS 51 2HB LYS 51 -0.450 0.596 15.905 391 HB3 LYS 51 1HB LYS 51 -1.272 -0.551 14.856 392 HG2 LYS 51 2HG LYS 51 0.823 -1.841 14.658 393 HG3 LYS 51 1HG LYS 51 1.603 -0.705 15.761 394 HD2 LYS 51 2HD LYS 51 -0.073 -1.311 17.495 395 HD3 LYS 51 1HD LYS 51 -0.733 -2.517 16.387 396 HE2 LYS 51 2HE LYS 51 2.066 -2.455 17.523 397 HE3 LYS 51 1HE LYS 51 0.780 -3.577 17.962 398 HZ1 LYS 51 3HZ LYS 51 2.116 -3.376 15.317 399 HZ2 LYS 51 1HZ LYS 51 0.811 -4.399 15.661 400 HZ3 LYS 51 2HZ LYS 51 2.293 -4.621 16.441 401 H LEU 52 H LEU 52 -1.554 0.830 11.956 402 HA LEU 52 HA LEU 52 -0.652 -1.585 10.573 403 HB2 LEU 52 2HB LEU 52 -3.037 -1.349 10.939 404 HB3 LEU 52 1HB LEU 52 -3.037 0.237 10.188 405 HG LEU 52 HG LEU 52 -2.390 -0.859 8.023 406 HD11 LEU 52 1HD1 LEU 52 -2.695 -3.259 7.779 407 HD12 LEU 52 2HD1 LEU 52 -3.017 -3.411 9.506 408 HD13 LEU 52 3HD1 LEU 52 -1.422 -2.907 8.948 409 HD21 LEU 52 3HD2 LEU 52 -4.624 -1.672 7.525 410 HD22 LEU 52 1HD2 LEU 52 -4.703 -0.222 8.523 411 HD23 LEU 52 2HD2 LEU 52 -4.982 -1.807 9.247 412 HA PRO 53 HA PRO 53 1.594 1.207 7.810 413 HB2 PRO 53 2HB PRO 53 2.894 -0.689 6.377 414 HB3 PRO 53 1HB PRO 53 3.393 -0.223 8.007 415 HG2 PRO 53 2HG PRO 53 1.790 -2.599 7.125 416 HG3 PRO 53 1HG PRO 53 3.092 -2.511 8.327 417 HD2 PRO 53 2HD PRO 53 0.434 -2.548 8.981 418 HD3 PRO 53 1HD PRO 53 1.676 -1.770 9.984 419 H TRP 54 H TRP 54 -0.245 1.979 6.718 420 HA TRP 54 HA TRP 54 -1.544 0.431 4.662 421 HB2 TRP 54 2HB TRP 54 -2.708 2.645 4.188 422 HB3 TRP 54 1HB TRP 54 -2.934 1.981 5.799 423 HD1 TRP 54 HD1 TRP 54 -1.954 3.356 7.845 424 HE1 TRP 54 HE1 TRP 54 -1.069 5.759 8.076 425 HE3 TRP 54 HE3 TRP 54 -1.350 4.480 2.890 426 HZ2 TRP 54 HZ2 TRP 54 -0.213 7.848 6.389 427 HZ3 TRP 54 HZ3 TRP 54 -0.489 6.705 2.289 428 HH2 TRP 54 HH2 TRP 54 0.067 8.352 4.001 429 H PHE 55 H PHE 55 0.994 2.784 4.814 430 HA PHE 55 HA PHE 55 1.090 3.639 2.161 431 HB2 PHE 55 2HB PHE 55 3.503 4.178 2.683 432 HB3 PHE 55 1HB PHE 55 2.315 4.847 3.793 433 HD1 PHE 55 HD2 PHE 55 2.082 3.954 6.065 434 HD2 PHE 55 HD1 PHE 55 5.108 2.523 3.428 435 HE1 PHE 55 HE2 PHE 55 3.274 2.964 7.973 436 HE2 PHE 55 HE1 PHE 55 6.305 1.537 5.340 437 HZ PHE 55 HZ PHE 55 5.387 1.755 7.614 438 H ARG 56 H ARG 56 2.020 0.572 3.474 439 HA ARG 56 HA ARG 56 3.912 -0.087 1.393 440 HB2 ARG 56 2HB ARG 56 2.643 -1.764 3.567 441 HB3 ARG 56 1HB ARG 56 3.832 -2.383 2.427 442 HG2 ARG 56 2HG ARG 56 5.460 -0.736 3.239 443 HG3 ARG 56 1HG ARG 56 4.270 -0.140 4.395 444 HD2 ARG 56 2HD ARG 56 4.218 -2.330 5.484 445 HD3 ARG 56 1HD ARG 56 5.378 -2.953 4.308 446 HE ARG 56 HE ARG 56 6.670 -0.836 5.359 447 HH11 ARG 56 1HH1 ARG 56 5.172 -3.603 6.763 448 HH12 ARG 56 2HH1 ARG 56 6.197 -3.570 8.153 449 HH21 ARG 56 1HH2 ARG 56 7.978 -0.823 7.122 450 HH22 ARG 56 2HH2 ARG 56 7.764 -2.022 8.357 451 H VAL 57 H VAL 57 0.615 0.146 1.290 452 HA VAL 57 HA VAL 57 0.434 -1.963 -0.776 453 HB VAL 57 HB VAL 57 -1.916 -0.846 0.767 454 HG11 VAL 57 1HG1 VAL 57 -1.614 -3.298 -0.974 455 HG12 VAL 57 2HG1 VAL 57 -2.459 -1.811 -1.405 456 HG13 VAL 57 3HG1 VAL 57 -3.074 -2.829 -0.102 457 HG21 VAL 57 3HG2 VAL 57 -0.384 -3.401 1.302 458 HG22 VAL 57 1HG2 VAL 57 -1.898 -2.930 2.076 459 HG23 VAL 57 2HG2 VAL 57 -0.436 -1.980 2.345 460 H ILE 58 H ILE 58 0.561 -1.057 -2.722 461 HA ILE 58 HA ILE 58 -0.686 1.584 -3.179 462 HB ILE 58 HB ILE 58 0.966 1.933 -4.973 463 HG12 ILE 58 2HG1 ILE 58 2.214 -0.646 -3.967 464 HG13 ILE 58 1HG1 ILE 58 1.415 -0.435 -5.521 465 HG21 ILE 58 1HG2 ILE 58 2.192 1.300 -2.284 466 HG22 ILE 58 2HG2 ILE 58 1.406 2.812 -2.741 467 HG23 ILE 58 3HG2 ILE 58 2.909 2.327 -3.525 468 HD11 ILE 58 3HD1 ILE 58 3.134 1.184 -6.174 469 HD12 ILE 58 1HD1 ILE 58 3.821 -0.390 -5.771 470 HD13 ILE 58 2HD1 ILE 58 3.936 0.940 -4.621 471 H ASN 59 H ASN 59 -0.659 1.745 -5.902 472 HA ASN 59 HA ASN 59 -2.877 -0.006 -6.528 473 HB2 ASN 59 2HB ASN 59 -3.106 1.367 -8.582 474 HB3 ASN 59 1HB ASN 59 -3.112 2.323 -7.106 475 HD21 ASN 59 1HD2 ASN 59 -2.500 4.187 -8.136 476 HD22 ASN 59 2HD2 ASN 59 -0.919 4.432 -8.776 477 H SER 60 H SER 60 -3.035 -0.944 -8.781 478 HA SER 60 HA SER 60 -0.996 -2.927 -9.006 479 HB2 SER 60 2HB SER 60 -2.355 -3.803 -10.880 480 HB3 SER 60 1HB SER 60 -3.337 -3.464 -9.456 481 HG SER 60 HG SER 60 -4.470 -2.184 -10.658 482 H GLN 61 H GLN 61 -0.962 0.177 -10.161 483 HA GLN 61 HA GLN 61 0.429 -0.445 -12.659 484 HB2 GLN 61 2HB GLN 61 -0.405 2.192 -11.432 485 HB3 GLN 61 1HB GLN 61 0.456 2.043 -12.960 486 HG2 GLN 61 2HG GLN 61 -2.287 0.947 -12.346 487 HG3 GLN 61 1HG GLN 61 -1.925 2.372 -13.318 488 HE21 GLN 61 1HE2 GLN 61 0.390 1.120 -14.606 489 HE22 GLN 61 2HE2 GLN 61 -0.255 -0.026 -15.723 490 H GLY 62 H GLY 62 1.263 -0.058 -9.436 491 HA2 GLY 62 2HA GLY 62 3.352 0.076 -8.438 492 HA3 GLY 62 1HA GLY 62 4.070 0.191 -10.037 493 H LYS 63 H LYS 63 1.661 2.252 -8.480 494 HA LYS 63 HA LYS 63 3.580 4.493 -8.429 495 HB2 LYS 63 2HB LYS 63 0.728 4.561 -9.447 496 HB3 LYS 63 1HB LYS 63 1.690 5.994 -9.120 497 HG2 LYS 63 2HG LYS 63 3.257 5.382 -10.866 498 HG3 LYS 63 1HG LYS 63 2.373 3.879 -11.159 499 HD2 LYS 63 2HD LYS 63 0.386 5.179 -11.801 500 HD3 LYS 63 1HD LYS 63 1.268 6.677 -11.502 501 HE2 LYS 63 2HE LYS 63 2.801 6.192 -13.295 502 HE3 LYS 63 1HE LYS 63 2.088 4.595 -13.530 503 HZ1 LYS 63 3HZ LYS 63 0.732 7.202 -13.987 504 HZ2 LYS 63 1HZ LYS 63 0.005 5.684 -14.154 505 HZ3 LYS 63 2HZ LYS 63 1.271 6.130 -15.176 506 H ILE 64 H ILE 64 2.645 6.353 -7.087 507 HA ILE 64 HA ILE 64 1.774 5.446 -4.535 508 HB ILE 64 HB ILE 64 1.806 8.243 -5.701 509 HG12 ILE 64 2HG1 ILE 64 3.759 6.796 -3.882 510 HG13 ILE 64 1HG1 ILE 64 4.024 7.180 -5.578 511 HG21 ILE 64 1HG2 ILE 64 1.464 7.357 -2.831 512 HG22 ILE 64 2HG2 ILE 64 0.240 8.130 -3.838 513 HG23 ILE 64 3HG2 ILE 64 1.685 9.023 -3.367 514 HD11 ILE 64 3HD1 ILE 64 3.950 9.563 -5.043 515 HD12 ILE 64 1HD1 ILE 64 5.211 8.719 -4.147 516 HD13 ILE 64 2HD1 ILE 64 3.708 9.166 -3.340 517 H SER 65 H SER 65 -0.232 4.906 -3.924 518 HA SER 65 HA SER 65 -2.356 4.960 -5.833 519 HB2 SER 65 2HB SER 65 -3.679 3.849 -4.034 520 HB3 SER 65 1HB SER 65 -2.136 3.060 -4.351 521 HG SER 65 HG SER 65 -2.906 3.631 -2.054 522 H LEU 66 H LEU 66 -1.630 6.853 -2.964 523 HA LEU 66 HA LEU 66 -4.212 8.142 -2.912 524 HB2 LEU 66 2HB LEU 66 -1.642 8.823 -1.472 525 HB3 LEU 66 1HB LEU 66 -3.211 9.538 -1.139 526 HG LEU 66 HG LEU 66 -2.471 6.629 -0.746 527 HD11 LEU 66 1HD1 LEU 66 -1.474 8.151 0.910 528 HD12 LEU 66 2HD1 LEU 66 -2.679 7.079 1.620 529 HD13 LEU 66 3HD1 LEU 66 -3.082 8.764 1.295 530 HD21 LEU 66 3HD2 LEU 66 -5.059 8.070 -0.158 531 HD22 LEU 66 1HD2 LEU 66 -4.681 6.406 0.292 532 HD23 LEU 66 2HD2 LEU 66 -4.804 6.852 -1.409 533 H LYS 67 H LYS 67 -3.809 10.785 -2.553 534 HA LYS 67 HA LYS 67 -2.341 11.840 -4.848 535 HB2 LYS 67 2HB LYS 67 -4.359 12.994 -5.724 536 HB3 LYS 67 1HB LYS 67 -4.461 11.241 -5.842 537 HG2 LYS 67 2HG LYS 67 -5.879 11.193 -3.833 538 HG3 LYS 67 1HG LYS 67 -5.796 12.954 -3.742 539 HD2 LYS 67 2HD LYS 67 -6.961 11.351 -6.028 540 HD3 LYS 67 1HD LYS 67 -7.887 12.192 -4.782 541 HE2 LYS 67 2HE LYS 67 -6.011 13.499 -6.760 542 HE3 LYS 67 1HE LYS 67 -7.769 13.482 -6.871 543 HZ1 LYS 67 3HZ LYS 67 -6.209 14.713 -4.662 544 HZ2 LYS 67 1HZ LYS 67 -7.891 14.732 -4.826 545 HZ3 LYS 67 2HZ LYS 67 -6.923 15.552 -5.943 546 H GLY 68 H GLY 68 -2.342 14.233 -4.921 547 HA2 GLY 68 2HA GLY 68 -2.006 16.276 -3.923 548 HA3 GLY 68 1HA GLY 68 -3.351 15.870 -2.869 549 H ARG 69 H ARG 69 -2.638 16.446 -0.874 550 HA ARG 69 HA ARG 69 0.020 16.250 0.046 551 HB2 ARG 69 2HB ARG 69 -2.496 16.229 1.726 552 HB3 ARG 69 1HB ARG 69 -0.882 16.680 2.260 553 HG2 ARG 69 2HG ARG 69 -0.927 18.597 0.708 554 HG3 ARG 69 1HG ARG 69 -2.570 18.153 0.238 555 HD2 ARG 69 2HD ARG 69 -2.671 19.915 1.880 556 HD3 ARG 69 1HD ARG 69 -3.274 18.422 2.601 557 HE ARG 69 HE ARG 69 -0.520 19.366 3.056 558 HH11 ARG 69 1HH1 ARG 69 -3.567 18.311 4.284 559 HH12 ARG 69 2HH1 ARG 69 -3.004 18.252 5.916 560 HH21 ARG 69 1HH2 ARG 69 0.171 19.318 5.154 561 HH22 ARG 69 2HH2 ARG 69 -0.908 18.810 6.405 562 H ASP 70 H ASP 70 -2.675 13.985 0.138 563 HA ASP 70 HA ASP 70 -1.554 12.056 1.853 564 HB2 ASP 70 2HB ASP 70 -3.531 11.796 -0.418 565 HB3 ASP 70 1HB ASP 70 -3.097 10.458 0.638 566 H LEU 71 H LEU 71 -1.010 12.731 -1.547 567 HA LEU 71 HA LEU 71 0.265 10.353 -2.316 568 HB2 LEU 71 2HB LEU 71 -0.474 12.140 -3.862 569 HB3 LEU 71 1HB LEU 71 0.807 13.177 -3.271 570 HG LEU 71 HG LEU 71 1.510 10.528 -4.506 571 HD11 LEU 71 1HD1 LEU 71 0.896 13.056 -6.043 572 HD12 LEU 71 2HD1 LEU 71 -0.022 11.551 -6.102 573 HD13 LEU 71 3HD1 LEU 71 1.634 11.598 -6.706 574 HD21 LEU 71 3HD2 LEU 71 3.539 11.724 -5.154 575 HD22 LEU 71 1HD2 LEU 71 3.275 11.841 -3.416 576 HD23 LEU 71 2HD2 LEU 71 2.901 13.213 -4.458 577 H ASP 72 H ASP 72 1.766 13.408 -1.186 578 HA ASP 72 HA ASP 72 4.350 12.233 -0.898 579 HB2 ASP 72 2HB ASP 72 3.176 14.842 0.070 580 HB3 ASP 72 1HB ASP 72 4.845 14.374 0.399 581 H ARG 73 H ARG 73 1.572 12.390 1.192 582 HA ARG 73 HA ARG 73 2.872 11.835 3.655 583 HB2 ARG 73 2HB ARG 73 0.504 12.587 3.466 584 HB3 ARG 73 1HB ARG 73 0.079 11.025 2.784 585 HG2 ARG 73 2HG ARG 73 0.587 9.906 4.835 586 HG3 ARG 73 1HG ARG 73 1.283 11.372 5.523 587 HD2 ARG 73 2HD ARG 73 -0.897 11.066 6.464 588 HD3 ARG 73 1HD ARG 73 -0.957 12.445 5.372 589 HE ARG 73 HE ARG 73 -2.043 10.915 3.748 590 HH11 ARG 73 1HH1 ARG 73 -2.157 10.208 7.121 591 HH12 ARG 73 2HH1 ARG 73 -3.582 9.237 6.979 592 HH21 ARG 73 1HH2 ARG 73 -3.929 9.727 3.602 593 HH22 ARG 73 2HH2 ARG 73 -4.568 8.967 5.020 594 H GLN 74 H GLN 74 1.312 9.672 1.286 595 HA GLN 74 HA GLN 74 2.127 7.232 2.445 596 HB2 GLN 74 2HB GLN 74 0.341 7.397 0.755 597 HB3 GLN 74 1HB GLN 74 1.519 7.881 -0.456 598 HG2 GLN 74 2HG GLN 74 2.569 5.712 -0.384 599 HG3 GLN 74 1HG GLN 74 1.540 5.218 0.961 600 HE21 GLN 74 1HE2 GLN 74 0.731 3.451 -0.217 601 HE22 GLN 74 2HE2 GLN 74 -0.406 3.660 -1.498 602 H LYS 75 H LYS 75 3.621 9.304 -0.013 603 HA LYS 75 HA LYS 75 5.787 7.665 -0.692 604 HB2 LYS 75 2HB LYS 75 5.037 9.756 -1.884 605 HB3 LYS 75 1HB LYS 75 5.826 10.688 -0.619 606 HG2 LYS 75 2HG LYS 75 7.963 9.477 -1.225 607 HG3 LYS 75 1HG LYS 75 7.106 8.847 -2.633 608 HD2 LYS 75 2HD LYS 75 8.319 10.789 -3.333 609 HD3 LYS 75 1HD LYS 75 6.607 11.219 -3.289 610 HE2 LYS 75 2HE LYS 75 6.962 12.200 -1.040 611 HE3 LYS 75 1HE LYS 75 8.681 11.860 -1.190 612 HZ1 LYS 75 3HZ LYS 75 8.575 13.257 -3.277 613 HZ2 LYS 75 1HZ LYS 75 8.424 14.079 -1.807 614 HZ3 LYS 75 2HZ LYS 75 7.052 13.772 -2.748 615 H GLN 76 H GLN 76 5.633 10.271 1.774 616 HA GLN 76 HA GLN 76 8.332 10.133 2.546 617 HB2 GLN 76 2HB GLN 76 7.752 11.455 4.450 618 HB3 GLN 76 1HB GLN 76 6.741 11.992 3.117 619 HG2 GLN 76 2HG GLN 76 4.870 10.677 4.019 620 HG3 GLN 76 1HG GLN 76 5.886 10.170 5.367 621 HE21 GLN 76 1HE2 GLN 76 6.466 11.700 6.930 622 HE22 GLN 76 2HE2 GLN 76 5.596 13.178 7.121 623 H LYS 77 H LYS 77 5.494 8.386 3.770 624 HA LYS 77 HA LYS 77 6.816 6.991 5.841 625 HB2 LYS 77 2HB LYS 77 4.387 6.319 4.179 626 HB3 LYS 77 1HB LYS 77 4.941 5.300 5.499 627 HG2 LYS 77 2HG LYS 77 4.209 8.209 5.825 628 HG3 LYS 77 1HG LYS 77 3.088 6.870 6.086 629 HD2 LYS 77 2HD LYS 77 4.567 5.971 7.832 630 HD3 LYS 77 1HD LYS 77 5.688 7.308 7.572 631 HE2 LYS 77 2HE LYS 77 4.020 8.902 8.309 632 HE3 LYS 77 1HE LYS 77 2.814 7.623 8.450 633 HZ1 LYS 77 3HZ LYS 77 5.328 7.691 10.021 634 HZ2 LYS 77 1HZ LYS 77 4.015 6.651 10.241 635 HZ3 LYS 77 2HZ LYS 77 3.856 8.297 10.585 636 H LEU 78 H LEU 78 6.567 6.384 2.385 637 HA LEU 78 HA LEU 78 7.817 3.791 2.488 638 HB2 LEU 78 2HB LEU 78 7.189 5.656 0.197 639 HB3 LEU 78 1HB LEU 78 7.895 4.062 -0.013 640 HG LEU 78 HG LEU 78 5.209 4.567 1.291 641 HD11 LEU 78 1HD1 LEU 78 5.816 3.619 -1.510 642 HD12 LEU 78 2HD1 LEU 78 5.161 5.197 -1.074 643 HD13 LEU 78 3HD1 LEU 78 4.218 3.739 -0.772 644 HD21 LEU 78 3HD2 LEU 78 4.905 2.158 1.042 645 HD22 LEU 78 1HD2 LEU 78 6.325 2.512 2.024 646 HD23 LEU 78 2HD2 LEU 78 6.518 2.012 0.342 647 H GLU 79 H GLU 79 8.954 7.100 1.989 648 HA GLU 79 HA GLU 79 11.585 6.377 1.171 649 HB2 GLU 79 2HB GLU 79 10.603 8.912 2.511 650 HB3 GLU 79 1HB GLU 79 12.210 8.698 1.824 651 HG2 GLU 79 2HG GLU 79 11.040 8.179 -0.375 652 HG3 GLU 79 1HG GLU 79 9.568 8.779 0.385 653 H ALA 80 H ALA 80 10.014 6.689 4.287 654 HA ALA 80 HA ALA 80 12.316 6.358 5.916 655 HB1 ALA 80 3HB ALA 80 10.187 7.110 6.830 656 HB2 ALA 80 1HB ALA 80 10.728 5.648 7.654 657 HB3 ALA 80 2HB ALA 80 9.451 5.556 6.440 658 H GLU 81 H GLU 81 10.438 4.173 3.987 659 HA GLU 81 HA GLU 81 11.534 1.746 5.104 660 HB2 GLU 81 2HB GLU 81 10.048 2.209 2.504 661 HB3 GLU 81 1HB GLU 81 10.378 0.645 3.233 662 HG2 GLU 81 2HG GLU 81 8.711 2.792 4.532 663 HG3 GLU 81 1HG GLU 81 8.055 1.483 3.550 664 H GLY 82 H GLY 82 12.760 4.130 3.089 665 HA2 GLY 82 2HA GLY 82 14.836 4.206 2.035 666 HA3 GLY 82 1HA GLY 82 14.990 2.470 2.251 667 H ILE 83 H ILE 83 12.096 3.728 0.812 668 HA ILE 83 HA ILE 83 12.719 2.299 -1.653 669 HB ILE 83 HB ILE 83 10.154 3.588 -0.690 670 HG12 ILE 83 2HG1 ILE 83 11.012 0.686 -0.907 671 HG13 ILE 83 1HG1 ILE 83 10.825 1.600 0.586 672 HG21 ILE 83 1HG2 ILE 83 10.262 3.613 -3.143 673 HG22 ILE 83 2HG2 ILE 83 9.045 2.476 -2.566 674 HG23 ILE 83 3HG2 ILE 83 10.599 1.882 -3.149 675 HD11 ILE 83 3HD1 ILE 83 8.434 1.790 0.183 676 HD12 ILE 83 1HD1 ILE 83 8.950 0.105 0.200 677 HD13 ILE 83 2HD1 ILE 83 8.611 0.906 -1.334 678 H GLU 84 H GLU 84 13.344 3.241 -3.498 679 HA GLU 84 HA GLU 84 13.525 6.107 -3.748 680 HB2 GLU 84 2HB GLU 84 14.098 3.915 -5.764 681 HB3 GLU 84 1HB GLU 84 14.459 5.621 -6.003 682 HG2 GLU 84 2HG GLU 84 16.002 5.561 -4.105 683 HG3 GLU 84 1HG GLU 84 15.638 3.854 -3.863 684 H VAL 85 H VAL 85 11.511 7.035 -3.868 685 HA VAL 85 HA VAL 85 9.591 6.036 -5.845 686 HB VAL 85 HB VAL 85 9.233 8.304 -3.856 687 HG11 VAL 85 1HG1 VAL 85 7.233 6.775 -5.536 688 HG12 VAL 85 2HG1 VAL 85 7.722 8.454 -5.762 689 HG13 VAL 85 3HG1 VAL 85 6.831 7.983 -4.314 690 HG21 VAL 85 3HG2 VAL 85 8.334 5.421 -3.641 691 HG22 VAL 85 1HG2 VAL 85 7.984 6.712 -2.491 692 HG23 VAL 85 2HG2 VAL 85 9.644 6.160 -2.717 693 H SER 86 H SER 86 9.626 6.856 -7.856 694 HA SER 86 HA SER 86 11.120 9.103 -8.659 695 HB2 SER 86 2HB SER 86 8.751 7.824 -10.054 696 HB3 SER 86 1HB SER 86 9.902 8.930 -10.800 697 HG SER 86 HG SER 86 11.539 7.305 -10.098 698 H GLU 87 H GLU 87 10.522 11.233 -9.149 699 HA GLU 87 HA GLU 87 9.002 12.440 -7.171 700 HB2 GLU 87 2HB GLU 87 9.312 14.539 -8.404 701 HB3 GLU 87 1HB GLU 87 10.794 13.598 -8.320 702 HG2 GLU 87 2HG GLU 87 10.332 12.784 -10.630 703 HG3 GLU 87 1HG GLU 87 8.964 13.893 -10.696 704 H ILE 88 H ILE 88 7.949 11.511 -10.416 705 HA ILE 88 HA ILE 88 5.471 12.958 -10.266 706 HB ILE 88 HB ILE 88 4.807 11.661 -12.283 707 HG12 ILE 88 2HG1 ILE 88 6.822 10.381 -13.375 708 HG13 ILE 88 1HG1 ILE 88 7.405 10.225 -11.724 709 HG21 ILE 88 1HG2 ILE 88 6.463 12.678 -13.772 710 HG22 ILE 88 2HG2 ILE 88 7.545 12.927 -12.400 711 HG23 ILE 88 3HG2 ILE 88 5.999 13.774 -12.469 712 HD11 ILE 88 3HD1 ILE 88 5.380 9.024 -11.111 713 HD12 ILE 88 1HD1 ILE 88 6.202 8.245 -12.463 714 HD13 ILE 88 2HD1 ILE 88 4.760 9.217 -12.751 715 H GLY 89 H GLY 89 6.464 10.315 -8.595 716 HA2 GLY 89 2HA GLY 89 5.107 9.290 -6.948 717 HA3 GLY 89 1HA GLY 89 3.700 9.561 -7.958 718 H LYS 90 H LYS 90 6.813 7.950 -8.741 719 HA LYS 90 HA LYS 90 5.222 5.536 -9.410 720 HB2 LYS 90 2HB LYS 90 6.190 6.613 -11.397 721 HB3 LYS 90 1HB LYS 90 7.797 6.462 -10.702 722 HG2 LYS 90 2HG LYS 90 7.564 4.006 -10.740 723 HG3 LYS 90 1HG LYS 90 5.979 4.188 -11.494 724 HD2 LYS 90 2HD LYS 90 7.026 5.311 -13.414 725 HD3 LYS 90 1HD LYS 90 8.609 5.127 -12.657 726 HE2 LYS 90 2HE LYS 90 6.781 2.884 -13.528 727 HE3 LYS 90 1HE LYS 90 8.238 3.414 -14.363 728 HZ1 LYS 90 3HZ LYS 90 8.074 2.164 -11.678 729 HZ2 LYS 90 1HZ LYS 90 9.492 2.822 -12.325 730 HZ3 LYS 90 2HZ LYS 90 8.753 1.497 -13.072 731 H ILE 91 H ILE 91 5.712 3.667 -8.473 732 HA ILE 91 HA ILE 91 8.220 3.431 -6.921 733 HB ILE 91 HB ILE 91 5.562 2.116 -6.307 734 HG12 ILE 91 2HG1 ILE 91 6.908 4.432 -4.880 735 HG13 ILE 91 1HG1 ILE 91 5.553 4.600 -5.993 736 HG21 ILE 91 1HG2 ILE 91 7.497 0.817 -5.550 737 HG22 ILE 91 2HG2 ILE 91 6.614 1.489 -4.181 738 HG23 ILE 91 3HG2 ILE 91 8.127 2.232 -4.703 739 HD11 ILE 91 3HD1 ILE 91 4.848 4.684 -3.669 740 HD12 ILE 91 1HD1 ILE 91 5.508 3.072 -3.401 741 HD13 ILE 91 2HD1 ILE 91 4.151 3.299 -4.506 742 H ALA 92 H ALA 92 9.572 1.982 -7.824 743 HA ALA 92 HA ALA 92 8.805 0.218 -9.900 744 HB1 ALA 92 3HB ALA 92 11.101 -0.599 -9.825 745 HB2 ALA 92 1HB ALA 92 11.349 0.213 -8.279 746 HB3 ALA 92 2HB ALA 92 11.054 1.162 -9.737 747 H LEU 93 H LEU 93 7.207 -1.227 -9.227 748 HA LEU 93 HA LEU 93 7.225 -2.833 -6.946 749 HB2 LEU 93 2HB LEU 93 6.072 -3.329 -9.692 750 HB3 LEU 93 1HB LEU 93 5.818 -4.428 -8.349 751 HG LEU 93 HG LEU 93 4.949 -1.531 -8.405 752 HD11 LEU 93 1HD1 LEU 93 3.332 -4.067 -8.690 753 HD12 LEU 93 2HD1 LEU 93 3.656 -2.891 -9.965 754 HD13 LEU 93 3HD1 LEU 93 2.678 -2.433 -8.572 755 HD21 LEU 93 3HD2 LEU 93 5.468 -2.313 -6.147 756 HD22 LEU 93 1HD2 LEU 93 4.423 -3.716 -6.382 757 HD23 LEU 93 2HD2 LEU 93 3.731 -2.094 -6.354 758 H ARG 94 H ARG 94 8.604 -3.485 -10.159 759 HA ARG 94 HA ARG 94 9.322 -6.136 -9.864 760 HB2 ARG 94 2HB ARG 94 10.931 -4.023 -11.317 761 HB3 ARG 94 1HB ARG 94 11.011 -5.760 -11.591 762 HG2 ARG 94 2HG ARG 94 8.602 -5.690 -12.268 763 HG3 ARG 94 1HG ARG 94 8.680 -3.929 -12.154 764 HD2 ARG 94 2HD ARG 94 8.998 -4.563 -14.452 765 HD3 ARG 94 1HD ARG 94 10.528 -3.957 -13.819 766 HE ARG 94 HE ARG 94 10.580 -6.695 -13.463 767 HH11 ARG 94 1HH1 ARG 94 10.422 -4.498 -16.120 768 HH12 ARG 94 2HH1 ARG 94 11.137 -5.621 -17.222 769 HH21 ARG 94 1HH2 ARG 94 11.487 -8.113 -14.889 770 HH22 ARG 94 2HH2 ARG 94 11.723 -7.645 -16.539 771 H LYS 95 H LYS 95 10.727 -3.424 -8.257 772 HA LYS 95 HA LYS 95 12.976 -5.072 -7.306 773 HB2 LYS 95 2HB LYS 95 13.601 -2.900 -8.252 774 HB3 LYS 95 1HB LYS 95 12.536 -2.081 -7.114 775 HG2 LYS 95 2HG LYS 95 13.901 -2.887 -5.249 776 HG3 LYS 95 1HG LYS 95 14.966 -3.715 -6.386 777 HD2 LYS 95 2HD LYS 95 15.537 -1.538 -7.401 778 HD3 LYS 95 1HD LYS 95 14.502 -0.730 -6.219 779 HE2 LYS 95 2HE LYS 95 16.868 -0.645 -5.561 780 HE3 LYS 95 1HE LYS 95 15.903 -1.556 -4.400 781 HZ1 LYS 95 3HZ LYS 95 18.005 -2.653 -4.906 782 HZ2 LYS 95 1HZ LYS 95 17.583 -2.745 -6.541 783 HZ3 LYS 95 2HZ LYS 95 16.694 -3.605 -5.389 784 H TYR 96 H TYR 96 10.141 -3.269 -6.209 785 HA TYR 96 HA TYR 96 10.852 -3.834 -3.404 786 HB2 TYR 96 2HB TYR 96 8.935 -1.793 -4.552 787 HB3 TYR 96 1HB TYR 96 9.247 -2.031 -2.835 788 HD1 TYR 96 HD1 TYR 96 11.677 -1.719 -2.026 789 HD2 TYR 96 HD2 TYR 96 10.266 -0.315 -5.791 790 HE1 TYR 96 HE1 TYR 96 13.557 -0.141 -2.140 791 HE2 TYR 96 HE2 TYR 96 12.145 1.263 -5.913 792 HH TYR 96 HH TYR 96 14.797 1.132 -3.694 793 H LYS 97 H LYS 97 9.181 -5.529 -5.521 794 HA LYS 97 HA LYS 97 6.583 -5.806 -4.554 795 HB2 LYS 97 2HB LYS 97 8.442 -7.724 -5.914 796 HB3 LYS 97 1HB LYS 97 6.909 -8.309 -5.286 797 HG2 LYS 97 2HG LYS 97 5.763 -6.558 -6.661 798 HG3 LYS 97 1HG LYS 97 7.328 -6.195 -7.389 799 HD2 LYS 97 2HD LYS 97 6.064 -7.728 -8.805 800 HD3 LYS 97 1HD LYS 97 7.503 -8.525 -8.164 801 HE2 LYS 97 2HE LYS 97 6.092 -9.533 -6.383 802 HE3 LYS 97 1HE LYS 97 4.674 -8.811 -7.142 803 HZ1 LYS 97 3HZ LYS 97 5.190 -10.098 -9.149 804 HZ2 LYS 97 1HZ LYS 97 4.899 -11.088 -7.809 805 HZ3 LYS 97 2HZ LYS 97 6.482 -10.832 -8.346 806 H TRP 98 H TRP 98 5.614 -6.820 -2.881 807 HA TRP 98 HA TRP 98 7.101 -7.733 -0.638 808 HB2 TRP 98 2HB TRP 98 4.930 -6.809 -0.241 809 HB3 TRP 98 1HB TRP 98 4.170 -7.937 -1.357 810 HD1 TRP 98 HD1 TRP 98 6.640 -9.128 1.339 811 HE1 TRP 98 HE1 TRP 98 5.371 -10.608 3.016 812 HE3 TRP 98 HE3 TRP 98 1.880 -8.420 -0.392 813 HZ2 TRP 98 HZ2 TRP 98 2.711 -11.367 3.539 814 HZ3 TRP 98 HZ3 TRP 98 0.028 -9.560 0.754 815 HH2 TRP 98 HH2 TRP 98 0.437 -11.006 2.685 816 H GLN 99 H GLN 99 8.220 -9.562 -0.592 817 HA GLN 99 HA GLN 99 7.224 -11.937 -2.004 818 HB2 GLN 99 2HB GLN 99 9.544 -12.846 -1.499 819 HB3 GLN 99 1HB GLN 99 9.464 -11.502 -2.629 820 HG2 GLN 99 2HG GLN 99 10.199 -9.958 -0.927 821 HG3 GLN 99 1HG GLN 99 10.130 -11.222 0.298 822 HE21 GLN 99 1HE2 GLN 99 11.871 -10.043 -2.496 823 HE22 GLN 99 2HE2 GLN 99 13.305 -10.963 -2.219 824 HA PRO 100 HA PRO 100 6.065 -13.198 2.270 825 HB2 PRO 100 2HB PRO 100 4.072 -14.866 1.491 826 HB3 PRO 100 1HB PRO 100 3.847 -13.117 1.630 827 HG2 PRO 100 2HG PRO 100 4.412 -14.761 -0.823 828 HG3 PRO 100 1HG PRO 100 3.210 -13.475 -0.597 829 HD2 PRO 100 2HD PRO 100 5.581 -13.019 -1.808 830 HD3 PRO 100 1HD PRO 100 4.786 -11.790 -0.805 831 H LEU 101 H LEU 101 7.309 -14.802 -0.479 832 HA LEU 101 HA LEU 101 8.602 -16.638 -0.777 833 HB2 LEU 101 2HB LEU 101 8.816 -16.541 2.235 834 HB3 LEU 101 1HB LEU 101 9.832 -17.514 1.188 835 HG LEU 101 HG LEU 101 9.719 -14.488 1.200 836 HD11 LEU 101 1HD1 LEU 101 11.858 -16.377 2.189 837 HD12 LEU 101 2HD1 LEU 101 10.799 -15.391 3.197 838 HD13 LEU 101 3HD1 LEU 101 11.974 -14.617 2.134 839 HD21 LEU 101 3HD2 LEU 101 11.462 -16.386 -0.380 840 HD22 LEU 101 1HD2 LEU 101 11.648 -14.631 -0.323 841 HD23 LEU 101 2HD2 LEU 101 10.197 -15.343 -1.028 842 H GLU 102 H GLU 102 5.678 -16.974 -0.284 843 HA GLU 102 HA GLU 102 5.648 -19.779 0.636 844 HB2 GLU 102 2HB GLU 102 3.168 -19.369 1.024 845 HB3 GLU 102 1HB GLU 102 4.278 -18.544 2.108 846 HG2 GLU 102 2HG GLU 102 3.996 -16.476 0.868 847 HG3 GLU 102 1HG GLU 102 2.940 -17.288 -0.284 Start of MODEL 13 1 H1 MET 1 1H MET 1 -16.192 -4.787 14.738 2 H2 MET 1 2H MET 1 -16.952 -3.441 14.055 3 H3 MET 1 3H MET 1 -15.721 -3.230 15.194 4 HA MET 1 HA MET 1 -14.932 -2.783 12.960 5 HB2 MET 1 2HB MET 1 -13.442 -3.736 14.744 6 HB3 MET 1 1HB MET 1 -13.751 -5.336 14.086 7 HG2 MET 1 2HG MET 1 -11.617 -4.487 13.316 8 HG3 MET 1 1HG MET 1 -12.737 -4.662 11.964 9 HE1 MET 1 3HE MET 1 -10.541 -1.535 10.998 10 HE2 MET 1 1HE MET 1 -11.087 -3.134 10.489 11 HE3 MET 1 2HE MET 1 -10.014 -2.969 11.878 12 H ASP 2 H ASP 2 -15.539 -3.098 10.905 13 HA ASP 2 HA ASP 2 -17.179 -5.203 10.039 14 HB2 ASP 2 2HB ASP 2 -16.951 -2.893 9.032 15 HB3 ASP 2 1HB ASP 2 -15.465 -3.445 8.269 16 H GLN 3 H GLN 3 -16.814 -7.158 9.118 17 HA GLN 3 HA GLN 3 -14.386 -8.495 9.421 18 HB2 GLN 3 2HB GLN 3 -16.826 -9.128 7.770 19 HB3 GLN 3 1HB GLN 3 -15.439 -10.204 7.811 20 HG2 GLN 3 2HG GLN 3 -16.983 -9.332 10.247 21 HG3 GLN 3 1HG GLN 3 -17.256 -10.839 9.375 22 HE21 GLN 3 1HE2 GLN 3 -15.103 -9.106 11.489 23 HE22 GLN 3 2HE2 GLN 3 -14.119 -10.460 11.917 24 H PHE 4 H PHE 4 -15.692 -6.913 6.512 25 HA PHE 4 HA PHE 4 -13.759 -7.787 4.669 26 HB2 PHE 4 2HB PHE 4 -15.694 -6.675 3.821 27 HB3 PHE 4 1HB PHE 4 -15.405 -5.254 4.815 28 HD1 PHE 4 HD1 PHE 4 -13.949 -7.201 1.987 29 HD2 PHE 4 HD2 PHE 4 -14.261 -3.422 3.937 30 HE1 PHE 4 HE1 PHE 4 -12.736 -6.141 0.127 31 HE2 PHE 4 HE2 PHE 4 -13.052 -2.361 2.075 32 HZ PHE 4 HZ PHE 4 -12.286 -3.720 0.169 33 H LEU 5 H LEU 5 -13.811 -4.904 6.738 34 HA LEU 5 HA LEU 5 -11.298 -3.864 6.014 35 HB2 LEU 5 2HB LEU 5 -12.727 -3.653 8.671 36 HB3 LEU 5 1HB LEU 5 -11.415 -2.621 8.133 37 HG LEU 5 HG LEU 5 -14.164 -2.776 6.876 38 HD11 LEU 5 1HD1 LEU 5 -14.155 -1.679 9.067 39 HD12 LEU 5 2HD1 LEU 5 -14.478 -0.536 7.764 40 HD13 LEU 5 3HD1 LEU 5 -12.883 -0.586 8.515 41 HD21 LEU 5 3HD2 LEU 5 -13.429 -0.863 5.529 42 HD22 LEU 5 1HD2 LEU 5 -12.461 -2.299 5.208 43 HD23 LEU 5 2HD2 LEU 5 -11.809 -1.004 6.214 44 H VAL 6 H VAL 6 -12.225 -6.041 8.672 45 HA VAL 6 HA VAL 6 -9.757 -6.386 9.896 46 HB VAL 6 HB VAL 6 -11.927 -8.469 9.515 47 HG11 VAL 6 1HG1 VAL 6 -9.828 -9.536 10.139 48 HG12 VAL 6 2HG1 VAL 6 -10.955 -9.571 11.493 49 HG13 VAL 6 3HG1 VAL 6 -9.628 -8.410 11.480 50 HG21 VAL 6 3HG2 VAL 6 -12.671 -7.806 11.747 51 HG22 VAL 6 1HG2 VAL 6 -12.719 -6.441 10.634 52 HG23 VAL 6 2HG2 VAL 6 -11.414 -6.570 11.813 53 H GLN 7 H GLN 7 -11.127 -8.270 7.187 54 HA GLN 7 HA GLN 7 -8.982 -10.099 7.017 55 HB2 GLN 7 2HB GLN 7 -11.034 -9.318 4.941 56 HB3 GLN 7 1HB GLN 7 -9.939 -10.686 4.794 57 HG2 GLN 7 2HG GLN 7 -12.071 -10.320 6.899 58 HG3 GLN 7 1HG GLN 7 -12.132 -11.415 5.520 59 HE21 GLN 7 1HE2 GLN 7 -10.713 -10.824 8.643 60 HE22 GLN 7 2HE2 GLN 7 -10.054 -12.405 8.864 61 H ILE 8 H ILE 8 -9.681 -7.193 5.020 62 HA ILE 8 HA ILE 8 -7.381 -7.495 3.390 63 HB ILE 8 HB ILE 8 -7.727 -5.167 2.679 64 HG12 ILE 8 2HG1 ILE 8 -9.929 -5.090 4.766 65 HG13 ILE 8 1HG1 ILE 8 -8.402 -4.222 4.874 66 HG21 ILE 8 1HG2 ILE 8 -9.025 -6.930 1.625 67 HG22 ILE 8 2HG2 ILE 8 -9.984 -5.455 1.742 68 HG23 ILE 8 3HG2 ILE 8 -10.274 -6.785 2.864 69 HD11 ILE 8 3HD1 ILE 8 -9.005 -2.939 2.878 70 HD12 ILE 8 1HD1 ILE 8 -10.188 -2.753 4.172 71 HD13 ILE 8 2HD1 ILE 8 -10.542 -3.801 2.799 72 H PHE 9 H PHE 9 -7.927 -5.552 6.333 73 HA PHE 9 HA PHE 9 -5.359 -4.365 6.395 74 HB2 PHE 9 2HB PHE 9 -7.325 -4.919 8.629 75 HB3 PHE 9 1HB PHE 9 -5.870 -3.951 8.820 76 HD1 PHE 9 HD1 PHE 9 -6.468 -2.899 5.761 77 HD2 PHE 9 HD2 PHE 9 -8.503 -2.879 9.508 78 HE1 PHE 9 HE1 PHE 9 -7.702 -0.888 5.078 79 HE2 PHE 9 HE2 PHE 9 -9.741 -0.866 8.823 80 HZ PHE 9 HZ PHE 9 -9.342 0.131 6.607 81 H ALA 10 H ALA 10 -6.638 -7.326 7.882 82 HA ALA 10 HA ALA 10 -4.444 -8.102 9.395 83 HB1 ALA 10 3HB ALA 10 -6.606 -9.235 9.499 84 HB2 ALA 10 1HB ALA 10 -5.296 -10.387 9.224 85 HB3 ALA 10 2HB ALA 10 -6.342 -9.902 7.887 86 H VAL 11 H VAL 11 -5.044 -8.613 5.934 87 HA VAL 11 HA VAL 11 -2.753 -10.230 5.450 88 HB VAL 11 HB VAL 11 -4.305 -8.481 3.523 89 HG11 VAL 11 1HG1 VAL 11 -2.327 -10.697 2.961 90 HG12 VAL 11 2HG1 VAL 11 -2.099 -8.981 2.625 91 HG13 VAL 11 3HG1 VAL 11 -3.329 -9.893 1.753 92 HG21 VAL 11 3HG2 VAL 11 -5.421 -10.569 2.867 93 HG22 VAL 11 1HG2 VAL 11 -5.694 -10.194 4.569 94 HG23 VAL 11 2HG2 VAL 11 -4.527 -11.437 4.118 95 H ILE 12 H ILE 12 -3.327 -6.736 5.242 96 HA ILE 12 HA ILE 12 -0.902 -5.965 4.074 97 HB ILE 12 HB ILE 12 -2.612 -4.431 6.042 98 HG12 ILE 12 2HG1 ILE 12 -2.605 -4.340 3.011 99 HG13 ILE 12 1HG1 ILE 12 -3.774 -5.232 3.976 100 HG21 ILE 12 1HG2 ILE 12 -1.589 -2.410 5.113 101 HG22 ILE 12 2HG2 ILE 12 -0.533 -3.399 4.104 102 HG23 ILE 12 3HG2 ILE 12 -0.380 -3.452 5.861 103 HD11 ILE 12 3HD1 ILE 12 -4.569 -3.169 4.963 104 HD12 ILE 12 1HD1 ILE 12 -4.656 -3.099 3.203 105 HD13 ILE 12 2HD1 ILE 12 -3.365 -2.253 4.055 106 H HIS 13 H HIS 13 -1.661 -6.713 7.450 107 HA HIS 13 HA HIS 13 0.685 -5.717 8.638 108 HB2 HIS 13 2HB HIS 13 -1.112 -8.006 9.451 109 HB3 HIS 13 1HB HIS 13 0.249 -7.468 10.428 110 HD2 HIS 13 HD2 HIS 13 -3.424 -6.759 10.028 111 HE1 HIS 13 HE1 HIS 13 -1.753 -3.414 12.003 112 HE2 HIS 13 HE2 HIS 13 -3.876 -4.716 11.560 113 H GLN 14 H GLN 14 0.287 -8.423 6.550 114 HA GLN 14 HA GLN 14 2.689 -9.788 7.430 115 HB2 GLN 14 2HB GLN 14 0.692 -10.256 5.242 116 HB3 GLN 14 1HB GLN 14 2.240 -11.086 5.199 117 HG2 GLN 14 2HG GLN 14 0.594 -12.513 6.202 118 HG3 GLN 14 1HG GLN 14 1.771 -12.035 7.418 119 HE21 GLN 14 1HE2 GLN 14 -1.508 -11.834 6.390 120 HE22 GLN 14 2HE2 GLN 14 -2.126 -11.058 7.802 121 H ILE 15 H ILE 15 2.150 -7.073 5.507 122 HA ILE 15 HA ILE 15 4.192 -7.511 3.535 123 HB ILE 15 HB ILE 15 3.001 -4.870 4.418 124 HG12 ILE 15 2HG1 ILE 15 2.155 -6.700 2.149 125 HG13 ILE 15 1HG1 ILE 15 1.273 -6.481 3.657 126 HG21 ILE 15 1HG2 ILE 15 3.713 -4.089 2.190 127 HG22 ILE 15 2HG2 ILE 15 4.470 -5.653 1.893 128 HG23 ILE 15 3HG2 ILE 15 5.080 -4.608 3.175 129 HD11 ILE 15 3HD1 ILE 15 1.770 -4.388 1.549 130 HD12 ILE 15 1HD1 ILE 15 0.956 -4.105 3.089 131 HD13 ILE 15 2HD1 ILE 15 0.242 -5.197 1.904 132 HA PRO 16 HA PRO 16 7.574 -6.788 6.441 133 HB2 PRO 16 2HB PRO 16 9.210 -6.900 3.971 134 HB3 PRO 16 1HB PRO 16 9.312 -7.884 5.435 135 HG2 PRO 16 2HG PRO 16 8.350 -8.898 3.158 136 HG3 PRO 16 1HG PRO 16 7.650 -9.343 4.727 137 HD2 PRO 16 2HD PRO 16 6.636 -7.387 2.686 138 HD3 PRO 16 1HD PRO 16 5.739 -8.599 3.627 139 H LYS 17 H LYS 17 9.191 -5.186 6.840 140 HA LYS 17 HA LYS 17 8.423 -2.569 6.078 141 HB2 LYS 17 2HB LYS 17 9.419 -2.979 8.242 142 HB3 LYS 17 1HB LYS 17 10.898 -3.575 7.498 143 HG2 LYS 17 2HG LYS 17 11.449 -1.392 6.684 144 HG3 LYS 17 1HG LYS 17 9.884 -0.753 7.189 145 HD2 LYS 17 2HD LYS 17 10.452 -1.079 9.517 146 HD3 LYS 17 1HD LYS 17 11.959 -1.880 9.073 147 HE2 LYS 17 2HE LYS 17 11.290 0.981 8.381 148 HE3 LYS 17 1HE LYS 17 12.234 0.497 9.790 149 HZ1 LYS 17 3HZ LYS 17 13.662 1.134 7.948 150 HZ2 LYS 17 1HZ LYS 17 12.960 -0.045 6.959 151 HZ3 LYS 17 2HZ LYS 17 13.861 -0.505 8.311 152 H GLY 18 H GLY 18 8.921 -1.426 4.310 153 HA2 GLY 18 2HA GLY 18 10.268 -0.591 2.578 154 HA3 GLY 18 1HA GLY 18 11.471 -1.819 2.937 155 H LYS 19 H LYS 19 8.278 -3.020 2.631 156 HA LYS 19 HA LYS 19 8.734 -3.731 -0.197 157 HB2 LYS 19 2HB LYS 19 7.405 -5.378 1.971 158 HB3 LYS 19 1HB LYS 19 7.443 -5.816 0.266 159 HG2 LYS 19 2HG LYS 19 9.857 -5.472 2.045 160 HG3 LYS 19 1HG LYS 19 9.142 -7.012 1.556 161 HD2 LYS 19 2HD LYS 19 9.641 -6.540 -0.770 162 HD3 LYS 19 1HD LYS 19 10.261 -4.946 -0.347 163 HE2 LYS 19 2HE LYS 19 11.433 -7.559 0.614 164 HE3 LYS 19 1HE LYS 19 12.050 -6.618 -0.744 165 HZ1 LYS 19 3HZ LYS 19 11.938 -5.771 2.099 166 HZ2 LYS 19 1HZ LYS 19 12.390 -4.758 0.822 167 HZ3 LYS 19 2HZ LYS 19 13.320 -6.117 1.193 168 H VAL 20 H VAL 20 6.899 -3.829 -1.563 169 HA VAL 20 HA VAL 20 4.481 -2.492 -0.542 170 HB VAL 20 HB VAL 20 4.275 -1.260 -2.672 171 HG11 VAL 20 1HG1 VAL 20 6.894 -0.772 -1.242 172 HG12 VAL 20 2HG1 VAL 20 5.312 -0.162 -0.756 173 HG13 VAL 20 3HG1 VAL 20 6.043 0.389 -2.262 174 HG21 VAL 20 3HG2 VAL 20 7.028 -2.366 -3.279 175 HG22 VAL 20 1HG2 VAL 20 6.187 -1.133 -4.220 176 HG23 VAL 20 2HG2 VAL 20 5.534 -2.769 -4.129 177 H SER 21 H SER 21 2.535 -3.134 -1.378 178 HA SER 21 HA SER 21 2.526 -5.238 -3.450 179 HB2 SER 21 2HB SER 21 0.693 -6.376 -2.286 180 HB3 SER 21 1HB SER 21 2.099 -6.256 -1.229 181 HG SER 21 HG SER 21 0.291 -5.658 -0.070 182 H THR 22 H THR 22 0.066 -5.527 -4.180 183 HA THR 22 HA THR 22 -0.941 -2.803 -4.746 184 HB THR 22 HB THR 22 -1.933 -3.690 -6.804 185 HG1 THR 22 HG1 THR 22 -0.585 -6.140 -6.258 186 HG21 THR 22 3HG2 THR 22 0.120 -4.147 -8.059 187 HG22 THR 22 1HG2 THR 22 0.986 -4.443 -6.549 188 HG23 THR 22 2HG2 THR 22 0.366 -2.831 -6.911 189 H TYR 23 H TYR 23 -3.237 -2.484 -4.872 190 HA TYR 23 HA TYR 23 -4.705 -3.518 -2.748 191 HB2 TYR 23 2HB TYR 23 -5.843 -2.392 -5.318 192 HB3 TYR 23 1HB TYR 23 -6.677 -2.503 -3.773 193 HD1 TYR 23 HD2 TYR 23 -5.773 -1.139 -1.814 194 HD2 TYR 23 HD1 TYR 23 -4.518 -0.524 -5.837 195 HE1 TYR 23 HE2 TYR 23 -4.920 1.087 -1.206 196 HE2 TYR 23 HE1 TYR 23 -3.666 1.696 -5.236 197 HH TYR 23 HH TYR 23 -3.174 2.684 -2.080 198 H GLY 24 H GLY 24 -4.662 -4.568 -6.136 199 HA2 GLY 24 2HA GLY 24 -6.703 -6.471 -6.066 200 HA3 GLY 24 1HA GLY 24 -5.303 -6.539 -7.126 201 H GLU 25 H GLU 25 -3.245 -6.895 -5.300 202 HA GLU 25 HA GLU 25 -3.363 -9.664 -4.757 203 HB2 GLU 25 2HB GLU 25 -1.458 -7.544 -3.724 204 HB3 GLU 25 1HB GLU 25 -1.223 -9.274 -3.502 205 HG2 GLU 25 2HG GLU 25 -1.029 -9.603 -5.886 206 HG3 GLU 25 1HG GLU 25 -1.418 -7.911 -6.187 207 H ILE 26 H ILE 26 -3.383 -6.894 -2.489 208 HA ILE 26 HA ILE 26 -3.700 -8.298 -0.110 209 HB ILE 26 HB ILE 26 -4.792 -5.567 -0.832 210 HG12 ILE 26 2HG1 ILE 26 -2.353 -5.744 -1.052 211 HG13 ILE 26 1HG1 ILE 26 -2.775 -4.728 0.323 212 HG21 ILE 26 1HG2 ILE 26 -4.891 -5.133 1.584 213 HG22 ILE 26 2HG2 ILE 26 -4.431 -6.805 1.905 214 HG23 ILE 26 3HG2 ILE 26 -5.968 -6.448 1.116 215 HD11 ILE 26 3HD1 ILE 26 -2.336 -6.613 1.831 216 HD12 ILE 26 1HD1 ILE 26 -0.923 -6.179 0.869 217 HD13 ILE 26 2HD1 ILE 26 -1.875 -7.600 0.442 218 H ALA 27 H ALA 27 -6.301 -6.880 -2.124 219 HA ALA 27 HA ALA 27 -8.485 -7.781 -0.642 220 HB1 ALA 27 3HB ALA 27 -8.347 -7.369 -3.632 221 HB2 ALA 27 1HB ALA 27 -8.642 -6.111 -2.432 222 HB3 ALA 27 2HB ALA 27 -9.813 -7.411 -2.650 223 H LYS 28 H LYS 28 -6.827 -9.379 -3.367 224 HA LYS 28 HA LYS 28 -8.511 -11.623 -3.549 225 HB2 LYS 28 2HB LYS 28 -6.884 -10.984 -5.291 226 HB3 LYS 28 1HB LYS 28 -5.563 -11.436 -4.219 227 HG2 LYS 28 2HG LYS 28 -6.420 -13.763 -4.209 228 HG3 LYS 28 1HG LYS 28 -7.658 -13.279 -5.368 229 HD2 LYS 28 2HD LYS 28 -5.905 -12.651 -6.970 230 HD3 LYS 28 1HD LYS 28 -4.669 -13.134 -5.807 231 HE2 LYS 28 2HE LYS 28 -6.729 -14.926 -7.102 232 HE3 LYS 28 1HE LYS 28 -4.999 -14.895 -7.442 233 HZ1 LYS 28 3HZ LYS 28 -5.498 -16.717 -5.993 234 HZ2 LYS 28 1HZ LYS 28 -6.286 -15.706 -4.890 235 HZ3 LYS 28 2HZ LYS 28 -4.612 -15.574 -5.119 236 H MET 29 H MET 29 -5.537 -11.122 -1.658 237 HA MET 29 HA MET 29 -5.431 -13.748 -0.555 238 HB2 MET 29 2HB MET 29 -4.268 -11.163 0.516 239 HB3 MET 29 1HB MET 29 -3.837 -12.778 1.064 240 HG2 MET 29 2HG MET 29 -2.945 -13.305 -1.138 241 HG3 MET 29 1HG MET 29 -3.405 -11.703 -1.716 242 HE1 MET 29 3HE MET 29 -1.002 -11.074 -2.538 243 HE2 MET 29 1HE MET 29 -0.468 -12.703 -2.118 244 HE3 MET 29 2HE MET 29 0.458 -11.302 -1.578 245 H ALA 30 H ALA 30 -7.088 -10.811 0.374 246 HA ALA 30 HA ALA 30 -7.845 -11.686 2.997 247 HB1 ALA 30 3HB ALA 30 -9.012 -9.496 1.277 248 HB2 ALA 30 1HB ALA 30 -7.689 -9.315 2.429 249 HB3 ALA 30 2HB ALA 30 -9.306 -9.726 3.001 250 H GLY 31 H GLY 31 -9.040 -12.321 -0.162 251 HA2 GLY 31 2HA GLY 31 -10.608 -14.091 -0.541 252 HA3 GLY 31 1HA GLY 31 -11.372 -13.715 0.993 253 H TYR 32 H TYR 32 -10.596 -10.991 -0.922 254 HA TYR 32 HA TYR 32 -13.343 -10.848 -1.998 255 HB2 TYR 32 2HB TYR 32 -11.795 -8.563 -0.743 256 HB3 TYR 32 1HB TYR 32 -13.410 -8.459 -1.431 257 HD1 TYR 32 HD2 TYR 32 -11.420 -9.719 1.405 258 HD2 TYR 32 HD1 TYR 32 -15.339 -9.240 -0.195 259 HE1 TYR 32 HE2 TYR 32 -12.380 -10.249 3.606 260 HE2 TYR 32 HE1 TYR 32 -16.305 -9.766 2.003 261 HH TYR 32 HH TYR 32 -15.666 -10.955 4.063 262 HA PRO 33 HA PRO 33 -9.994 -10.057 -5.284 263 HB2 PRO 33 2HB PRO 33 -11.710 -11.937 -6.819 264 HB3 PRO 33 1HB PRO 33 -9.952 -11.903 -6.648 265 HG2 PRO 33 2HG PRO 33 -11.400 -13.765 -5.406 266 HG3 PRO 33 1HG PRO 33 -9.997 -13.025 -4.610 267 HD2 PRO 33 2HD PRO 33 -12.920 -12.440 -4.225 268 HD3 PRO 33 1HD PRO 33 -11.639 -12.619 -3.006 269 H GLY 34 H GLY 34 -10.458 -8.056 -6.019 270 HA2 GLY 34 2HA GLY 34 -11.570 -6.952 -7.971 271 HA3 GLY 34 1HA GLY 34 -13.074 -7.616 -7.356 272 H TYR 35 H TYR 35 -12.125 -7.012 -4.541 273 HA TYR 35 HA TYR 35 -13.250 -4.352 -4.408 274 HB2 TYR 35 2HB TYR 35 -12.344 -6.349 -2.338 275 HB3 TYR 35 1HB TYR 35 -12.811 -4.713 -1.887 276 HD1 TYR 35 HD1 TYR 35 -14.049 -7.860 -3.419 277 HD2 TYR 35 HD2 TYR 35 -15.099 -4.079 -1.760 278 HE1 TYR 35 HE1 TYR 35 -16.411 -8.542 -3.365 279 HE2 TYR 35 HE2 TYR 35 -17.461 -4.755 -1.703 280 HH TYR 35 HH TYR 35 -18.475 -7.953 -2.128 281 H ALA 36 H ALA 36 -10.639 -4.537 -5.704 282 HA ALA 36 HA ALA 36 -8.465 -3.839 -4.123 283 HB1 ALA 36 3HB ALA 36 -9.052 -2.980 -6.956 284 HB2 ALA 36 1HB ALA 36 -8.270 -4.484 -6.466 285 HB3 ALA 36 2HB ALA 36 -7.473 -2.938 -6.172 286 H ARG 37 H ARG 37 -10.291 -1.485 -6.118 287 HA ARG 37 HA ARG 37 -9.307 0.829 -4.958 288 HB2 ARG 37 2HB ARG 37 -11.427 1.912 -5.798 289 HB3 ARG 37 1HB ARG 37 -10.518 0.997 -6.993 290 HG2 ARG 37 2HG ARG 37 -12.068 -0.889 -6.716 291 HG3 ARG 37 1HG ARG 37 -12.990 0.053 -5.543 292 HD2 ARG 37 2HD ARG 37 -13.542 1.694 -7.228 293 HD3 ARG 37 1HD ARG 37 -12.511 0.881 -8.409 294 HE ARG 37 HE ARG 37 -14.272 -1.041 -7.698 295 HH11 ARG 37 1HH1 ARG 37 -14.647 2.201 -8.788 296 HH12 ARG 37 2HH1 ARG 37 -16.155 1.878 -9.569 297 HH21 ARG 37 1HH2 ARG 37 -16.187 -1.452 -8.733 298 HH22 ARG 37 2HH2 ARG 37 -17.014 -0.168 -9.541 299 H HIS 38 H HIS 38 -11.880 -1.256 -3.770 300 HA HIS 38 HA HIS 38 -12.964 0.527 -1.851 301 HB2 HIS 38 2HB HIS 38 -12.921 -2.501 -1.849 302 HB3 HIS 38 1HB HIS 38 -13.924 -1.499 -0.805 303 HD2 HIS 38 HD2 HIS 38 -13.675 -2.553 -4.557 304 HE1 HIS 38 HE1 HIS 38 -17.434 -0.757 -3.845 305 HE2 HIS 38 HE2 HIS 38 -16.103 -2.236 -5.403 306 H VAL 39 H VAL 39 -10.383 -1.916 -1.650 307 HA VAL 39 HA VAL 39 -9.705 -1.636 1.049 308 HB VAL 39 HB VAL 39 -7.810 -2.102 -1.277 309 HG11 VAL 39 1HG1 VAL 39 -7.450 -2.701 1.667 310 HG12 VAL 39 2HG1 VAL 39 -6.620 -1.436 0.760 311 HG13 VAL 39 3HG1 VAL 39 -6.323 -3.132 0.379 312 HG21 VAL 39 3HG2 VAL 39 -9.263 -4.092 0.478 313 HG22 VAL 39 1HG2 VAL 39 -8.076 -4.488 -0.767 314 HG23 VAL 39 2HG2 VAL 39 -9.613 -3.751 -1.216 315 H GLY 40 H GLY 40 -8.574 0.209 -1.779 316 HA2 GLY 40 2HA GLY 40 -6.893 2.035 -0.485 317 HA3 GLY 40 1HA GLY 40 -7.775 2.358 -1.968 318 H LYS 41 H LYS 41 -10.400 2.253 -1.060 319 HA LYS 41 HA LYS 41 -10.814 4.782 0.114 320 HB2 LYS 41 2HB LYS 41 -12.683 2.408 -0.122 321 HB3 LYS 41 1HB LYS 41 -13.191 4.020 0.371 322 HG2 LYS 41 2HG LYS 41 -12.587 4.924 -1.781 323 HG3 LYS 41 1HG LYS 41 -11.898 3.380 -2.277 324 HD2 LYS 41 2HD LYS 41 -14.058 3.623 -3.300 325 HD3 LYS 41 1HD LYS 41 -14.153 2.355 -2.081 326 HE2 LYS 41 2HE LYS 41 -14.979 5.202 -1.528 327 HE3 LYS 41 1HE LYS 41 -16.088 4.010 -2.200 328 HZ1 LYS 41 3HZ LYS 41 -15.591 2.611 -0.214 329 HZ2 LYS 41 1HZ LYS 41 -16.403 4.054 0.126 330 HZ3 LYS 41 2HZ LYS 41 -14.754 3.924 0.446 331 H ALA 42 H ALA 42 -10.580 1.569 1.518 332 HA ALA 42 HA ALA 42 -11.408 2.285 4.155 333 HB1 ALA 42 3HB ALA 42 -9.717 -0.046 3.243 334 HB2 ALA 42 1HB ALA 42 -11.478 -0.023 3.330 335 HB3 ALA 42 2HB ALA 42 -10.521 0.106 4.806 336 H LEU 43 H LEU 43 -8.226 1.967 2.586 337 HA LEU 43 HA LEU 43 -6.636 2.468 4.858 338 HB2 LEU 43 2HB LEU 43 -6.034 3.049 1.951 339 HB3 LEU 43 1HB LEU 43 -4.846 3.023 3.242 340 HG LEU 43 HG LEU 43 -6.470 0.658 2.287 341 HD11 LEU 43 1HD1 LEU 43 -3.537 1.280 1.958 342 HD12 LEU 43 2HD1 LEU 43 -4.760 1.314 0.686 343 HD13 LEU 43 3HD1 LEU 43 -4.342 -0.211 1.466 344 HD21 LEU 43 3HD2 LEU 43 -5.083 -0.676 3.791 345 HD22 LEU 43 1HD2 LEU 43 -6.014 0.525 4.684 346 HD23 LEU 43 2HD2 LEU 43 -4.296 0.789 4.382 347 H GLY 44 H GLY 44 -8.209 4.658 2.590 348 HA2 GLY 44 2HA GLY 44 -7.002 7.074 3.399 349 HA3 GLY 44 1HA GLY 44 -8.585 6.922 2.659 350 H ASN 45 H ASN 45 -9.128 5.061 5.157 351 HA ASN 45 HA ASN 45 -10.228 7.176 6.818 352 HB2 ASN 45 2HB ASN 45 -11.521 5.110 6.246 353 HB3 ASN 45 1HB ASN 45 -10.367 4.169 7.188 354 HD21 ASN 45 1HD2 ASN 45 -12.989 6.429 7.306 355 HD22 ASN 45 2HD2 ASN 45 -13.286 6.303 9.004 356 H LEU 46 H LEU 46 -7.367 5.337 6.711 357 HA LEU 46 HA LEU 46 -6.880 5.199 9.557 358 HB2 LEU 46 2HB LEU 46 -5.140 4.586 7.168 359 HB3 LEU 46 1HB LEU 46 -4.633 4.343 8.830 360 HG LEU 46 HG LEU 46 -7.024 2.975 7.584 361 HD11 LEU 46 1HD1 LEU 46 -4.245 1.891 8.038 362 HD12 LEU 46 2HD1 LEU 46 -4.953 2.291 6.473 363 HD13 LEU 46 3HD1 LEU 46 -5.637 0.985 7.439 364 HD21 LEU 46 3HD2 LEU 46 -7.138 3.188 10.019 365 HD22 LEU 46 1HD2 LEU 46 -5.533 2.469 10.166 366 HD23 LEU 46 2HD2 LEU 46 -6.878 1.510 9.543 367 HA PRO 47 HA PRO 47 -4.611 9.063 9.905 368 HB2 PRO 47 2HB PRO 47 -3.285 8.600 12.209 369 HB3 PRO 47 1HB PRO 47 -5.033 8.867 12.175 370 HG2 PRO 47 2HG PRO 47 -3.521 6.280 12.345 371 HG3 PRO 47 1HG PRO 47 -4.948 6.802 13.259 372 HD2 PRO 47 2HD PRO 47 -5.082 5.156 11.081 373 HD3 PRO 47 1HD PRO 47 -6.396 6.252 11.554 374 H GLU 48 H GLU 48 -2.364 9.857 9.940 375 HA GLU 48 HA GLU 48 -0.709 8.513 8.141 376 HB2 GLU 48 2HB GLU 48 0.008 10.670 10.134 377 HB3 GLU 48 1HB GLU 48 1.045 10.155 8.808 378 HG2 GLU 48 2HG GLU 48 -0.732 10.825 7.215 379 HG3 GLU 48 1HG GLU 48 -1.674 11.437 8.574 380 H GLY 49 H GLY 49 -0.248 8.833 11.684 381 HA2 GLY 49 2HA GLY 49 1.855 6.791 11.581 382 HA3 GLY 49 1HA GLY 49 1.440 7.788 12.965 383 H SER 50 H SER 50 -0.382 5.498 10.908 384 HA SER 50 HA SER 50 -1.743 4.381 13.198 385 HB2 SER 50 2HB SER 50 -2.950 4.558 11.090 386 HB3 SER 50 1HB SER 50 -1.745 3.557 10.278 387 HG SER 50 HG SER 50 -3.607 2.357 10.880 388 H LYS 51 H LYS 51 -1.672 2.152 13.844 389 HA LYS 51 HA LYS 51 0.907 0.966 13.930 390 HB2 LYS 51 2HB LYS 51 -0.812 0.597 15.677 391 HB3 LYS 51 1HB LYS 51 -1.788 -0.297 14.518 392 HG2 LYS 51 2HG LYS 51 -0.016 -1.979 14.322 393 HG3 LYS 51 1HG LYS 51 0.961 -1.081 15.485 394 HD2 LYS 51 2HD LYS 51 -0.777 -1.415 17.193 395 HD3 LYS 51 1HD LYS 51 -1.742 -2.324 16.026 396 HE2 LYS 51 2HE LYS 51 1.020 -3.082 16.991 397 HE3 LYS 51 1HE LYS 51 -0.489 -3.798 17.552 398 HZ1 LYS 51 3HZ LYS 51 0.514 -3.896 14.756 399 HZ2 LYS 51 1HZ LYS 51 -0.903 -4.621 15.332 400 HZ3 LYS 51 2HZ LYS 51 0.605 -5.162 15.872 401 H LEU 52 H LEU 52 -1.780 0.713 11.766 402 HA LEU 52 HA LEU 52 -0.666 -1.571 10.324 403 HB2 LEU 52 2HB LEU 52 -3.061 -1.543 10.647 404 HB3 LEU 52 1HB LEU 52 -3.178 0.062 9.949 405 HG LEU 52 HG LEU 52 -2.409 -0.903 7.762 406 HD11 LEU 52 1HD1 LEU 52 -2.849 -3.547 9.145 407 HD12 LEU 52 2HD1 LEU 52 -1.293 -2.895 8.637 408 HD13 LEU 52 3HD1 LEU 52 -2.510 -3.305 7.433 409 HD21 LEU 52 3HD2 LEU 52 -4.563 -1.929 7.221 410 HD22 LEU 52 1HD2 LEU 52 -4.760 -0.472 8.193 411 HD23 LEU 52 2HD2 LEU 52 -4.935 -2.058 8.941 412 HA PRO 53 HA PRO 53 1.463 1.422 7.686 413 HB2 PRO 53 2HB PRO 53 2.777 -0.379 6.131 414 HB3 PRO 53 1HB PRO 53 3.302 0.042 7.764 415 HG2 PRO 53 2HG PRO 53 1.751 -2.346 6.831 416 HG3 PRO 53 1HG PRO 53 3.072 -2.261 8.013 417 HD2 PRO 53 2HD PRO 53 0.439 -2.415 8.716 418 HD3 PRO 53 1HD PRO 53 1.662 -1.614 9.721 419 H TRP 54 H TRP 54 -0.321 2.265 6.590 420 HA TRP 54 HA TRP 54 -1.705 0.775 4.548 421 HB2 TRP 54 2HB TRP 54 -2.902 2.970 4.173 422 HB3 TRP 54 1HB TRP 54 -3.012 2.328 5.805 423 HD1 TRP 54 HD1 TRP 54 -1.969 3.767 7.765 424 HE1 TRP 54 HE1 TRP 54 -1.039 6.163 7.894 425 HE3 TRP 54 HE3 TRP 54 -1.543 4.738 2.766 426 HZ2 TRP 54 HZ2 TRP 54 -0.228 8.210 6.100 427 HZ3 TRP 54 HZ3 TRP 54 -0.684 6.927 2.057 428 HH2 TRP 54 HH2 TRP 54 -0.042 8.623 3.689 429 H PHE 55 H PHE 55 0.997 2.890 4.624 430 HA PHE 55 HA PHE 55 0.818 3.994 2.021 431 HB2 PHE 55 2HB PHE 55 3.190 4.660 2.419 432 HB3 PHE 55 1HB PHE 55 2.092 5.112 3.718 433 HD1 PHE 55 HD2 PHE 55 2.163 3.937 5.876 434 HD2 PHE 55 HD1 PHE 55 4.953 3.070 2.778 435 HE1 PHE 55 HE2 PHE 55 3.624 2.817 7.506 436 HE2 PHE 55 HE1 PHE 55 6.414 1.949 4.404 437 HZ PHE 55 HZ PHE 55 5.750 1.823 6.772 438 H ARG 56 H ARG 56 1.648 0.833 2.932 439 HA ARG 56 HA ARG 56 3.641 0.439 0.849 440 HB2 ARG 56 2HB ARG 56 2.431 -1.516 2.814 441 HB3 ARG 56 1HB ARG 56 3.731 -1.893 1.690 442 HG2 ARG 56 2HG ARG 56 5.147 -0.198 2.782 443 HG3 ARG 56 1HG ARG 56 3.847 0.123 3.931 444 HD2 ARG 56 2HD ARG 56 3.958 -2.237 4.671 445 HD3 ARG 56 1HD ARG 56 5.309 -2.498 3.565 446 HE ARG 56 HE ARG 56 6.264 -0.497 5.012 447 HH11 ARG 56 1HH1 ARG 56 4.676 -3.394 6.018 448 HH12 ARG 56 2HH1 ARG 56 5.420 -3.374 7.577 449 HH21 ARG 56 1HH2 ARG 56 7.212 -0.510 7.008 450 HH22 ARG 56 2HH2 ARG 56 6.820 -1.771 8.131 451 H VAL 57 H VAL 57 0.373 0.644 0.691 452 HA VAL 57 HA VAL 57 0.130 -1.554 -1.271 453 HB VAL 57 HB VAL 57 -2.164 -0.086 0.043 454 HG11 VAL 57 1HG1 VAL 57 -2.723 -1.188 -2.058 455 HG12 VAL 57 2HG1 VAL 57 -3.478 -2.024 -0.701 456 HG13 VAL 57 3HG1 VAL 57 -2.041 -2.703 -1.466 457 HG21 VAL 57 3HG2 VAL 57 -0.904 -2.712 0.866 458 HG22 VAL 57 1HG2 VAL 57 -2.398 -2.042 1.523 459 HG23 VAL 57 2HG2 VAL 57 -0.869 -1.205 1.783 460 H ILE 58 H ILE 58 0.461 -0.856 -3.275 461 HA ILE 58 HA ILE 58 -0.565 1.788 -4.115 462 HB ILE 58 HB ILE 58 1.181 1.701 -5.901 463 HG12 ILE 58 2HG1 ILE 58 2.126 -0.729 -4.346 464 HG13 ILE 58 1HG1 ILE 58 1.531 -0.718 -6.002 465 HG21 ILE 58 1HG2 ILE 58 3.056 2.272 -4.423 466 HG22 ILE 58 2HG2 ILE 58 2.206 1.543 -3.063 467 HG23 ILE 58 3HG2 ILE 58 1.543 2.974 -3.853 468 HD11 ILE 58 3HD1 ILE 58 3.923 -0.895 -5.994 469 HD12 ILE 58 1HD1 ILE 58 4.068 0.550 -4.993 470 HD13 ILE 58 2HD1 ILE 58 3.460 0.677 -6.645 471 H ASN 59 H ASN 59 -0.401 1.573 -6.854 472 HA ASN 59 HA ASN 59 -2.675 -0.189 -7.369 473 HB2 ASN 59 2HB ASN 59 -2.956 1.078 -9.456 474 HB3 ASN 59 1HB ASN 59 -2.879 2.143 -8.057 475 HD21 ASN 59 1HD2 ASN 59 -2.262 3.913 -9.274 476 HD22 ASN 59 2HD2 ASN 59 -0.699 4.051 -9.985 477 H SER 60 H SER 60 -2.710 -1.043 -9.790 478 HA SER 60 HA SER 60 -0.857 -3.175 -9.847 479 HB2 SER 60 2HB SER 60 -1.894 -3.774 -12.004 480 HB3 SER 60 1HB SER 60 -3.113 -3.371 -10.795 481 HG SER 60 HG SER 60 -3.721 -1.725 -11.966 482 H GLN 61 H GLN 61 -0.676 -0.000 -11.211 483 HA GLN 61 HA GLN 61 1.280 -0.684 -13.234 484 HB2 GLN 61 2HB GLN 61 0.491 2.062 -12.229 485 HB3 GLN 61 1HB GLN 61 1.327 1.688 -13.734 486 HG2 GLN 61 2HG GLN 61 -1.507 0.933 -13.027 487 HG3 GLN 61 1HG GLN 61 -1.010 2.207 -14.140 488 HE21 GLN 61 1HE2 GLN 61 -2.646 -0.221 -14.528 489 HE22 GLN 61 2HE2 GLN 61 -1.899 -1.074 -15.831 490 H GLY 62 H GLY 62 1.388 -0.125 -9.902 491 HA2 GLY 62 2HA GLY 62 3.271 -0.215 -8.519 492 HA3 GLY 62 1HA GLY 62 4.296 0.020 -9.926 493 H LYS 63 H LYS 63 1.594 2.100 -9.125 494 HA LYS 63 HA LYS 63 3.492 4.255 -8.458 495 HB2 LYS 63 2HB LYS 63 1.036 4.471 -10.214 496 HB3 LYS 63 1HB LYS 63 2.045 5.823 -9.717 497 HG2 LYS 63 2HG LYS 63 3.952 4.844 -10.901 498 HG3 LYS 63 1HG LYS 63 2.951 3.478 -11.389 499 HD2 LYS 63 2HD LYS 63 3.152 5.071 -13.212 500 HD3 LYS 63 1HD LYS 63 1.485 5.012 -12.637 501 HE2 LYS 63 2HE LYS 63 1.781 7.069 -11.414 502 HE3 LYS 63 1HE LYS 63 3.502 7.100 -11.800 503 HZ1 LYS 63 3HZ LYS 63 1.310 7.280 -13.796 504 HZ2 LYS 63 1HZ LYS 63 2.967 7.401 -14.114 505 HZ3 LYS 63 2HZ LYS 63 2.194 8.596 -13.204 506 H ILE 64 H ILE 64 2.465 6.126 -7.349 507 HA ILE 64 HA ILE 64 1.000 5.169 -5.074 508 HB ILE 64 HB ILE 64 1.841 7.993 -5.775 509 HG12 ILE 64 2HG1 ILE 64 3.172 5.886 -4.039 510 HG13 ILE 64 1HG1 ILE 64 3.762 6.486 -5.585 511 HG21 ILE 64 1HG2 ILE 64 1.513 8.495 -3.409 512 HG22 ILE 64 2HG2 ILE 64 0.976 6.841 -3.119 513 HG23 ILE 64 3HG2 ILE 64 0.010 7.917 -4.131 514 HD11 ILE 64 3HD1 ILE 64 4.095 8.691 -4.614 515 HD12 ILE 64 1HD1 ILE 64 4.983 7.453 -3.725 516 HD13 ILE 64 2HD1 ILE 64 3.484 8.106 -3.066 517 H SER 65 H SER 65 -1.132 5.298 -4.665 518 HA SER 65 HA SER 65 -2.935 6.269 -6.697 519 HB2 SER 65 2HB SER 65 -3.607 5.185 -3.950 520 HB3 SER 65 1HB SER 65 -4.702 5.332 -5.323 521 HG SER 65 HG SER 65 -3.295 3.262 -4.711 522 H LEU 66 H LEU 66 -1.805 7.393 -3.580 523 HA LEU 66 HA LEU 66 -3.857 9.342 -3.181 524 HB2 LEU 66 2HB LEU 66 -1.104 9.083 -1.965 525 HB3 LEU 66 1HB LEU 66 -2.305 10.251 -1.446 526 HG LEU 66 HG LEU 66 -2.529 7.241 -1.257 527 HD11 LEU 66 1HD1 LEU 66 -1.049 8.223 0.409 528 HD12 LEU 66 2HD1 LEU 66 -2.536 7.639 1.154 529 HD13 LEU 66 3HD1 LEU 66 -2.310 9.367 0.874 530 HD21 LEU 66 3HD2 LEU 66 -4.656 7.644 -0.100 531 HD22 LEU 66 1HD2 LEU 66 -4.711 8.201 -1.772 532 HD23 LEU 66 2HD2 LEU 66 -4.527 9.366 -0.460 533 H LYS 67 H LYS 67 -3.619 11.648 -3.249 534 HA LYS 67 HA LYS 67 -1.720 12.582 -5.302 535 HB2 LYS 67 2HB LYS 67 -3.619 13.964 -6.232 536 HB3 LYS 67 1HB LYS 67 -3.761 12.228 -6.476 537 HG2 LYS 67 2HG LYS 67 -5.287 12.125 -4.510 538 HG3 LYS 67 1HG LYS 67 -5.223 13.886 -4.420 539 HD2 LYS 67 2HD LYS 67 -6.163 12.325 -6.833 540 HD3 LYS 67 1HD LYS 67 -7.232 13.007 -5.608 541 HE2 LYS 67 2HE LYS 67 -5.306 14.608 -7.295 542 HE3 LYS 67 1HE LYS 67 -7.022 14.418 -7.639 543 HZ1 LYS 67 3HZ LYS 67 -6.561 16.491 -6.492 544 HZ2 LYS 67 1HZ LYS 67 -5.889 15.654 -5.184 545 HZ3 LYS 67 2HZ LYS 67 -7.533 15.486 -5.539 546 H GLY 68 H GLY 68 -1.226 14.832 -5.281 547 HA2 GLY 68 2HA GLY 68 -0.743 16.850 -4.292 548 HA3 GLY 68 1HA GLY 68 -2.286 16.710 -3.467 549 H ARG 69 H ARG 69 -1.964 17.091 -1.361 550 HA ARG 69 HA ARG 69 0.511 16.728 -0.027 551 HB2 ARG 69 2HB ARG 69 -2.274 17.157 1.065 552 HB3 ARG 69 1HB ARG 69 -0.824 17.150 2.061 553 HG2 ARG 69 2HG ARG 69 0.047 19.045 0.704 554 HG3 ARG 69 1HG ARG 69 -1.501 19.095 -0.141 555 HD2 ARG 69 2HD ARG 69 -2.655 19.547 1.955 556 HD3 ARG 69 1HD ARG 69 -1.136 19.422 2.840 557 HE ARG 69 HE ARG 69 -1.005 21.408 0.801 558 HH11 ARG 69 1HH1 ARG 69 -2.146 20.797 3.994 559 HH12 ARG 69 2HH1 ARG 69 -2.124 22.466 4.441 560 HH21 ARG 69 1HH2 ARG 69 -0.974 23.562 1.400 561 HH22 ARG 69 2HH2 ARG 69 -1.450 24.005 3.004 562 H ASP 70 H ASP 70 -2.297 14.650 -0.395 563 HA ASP 70 HA ASP 70 -1.588 12.768 1.611 564 HB2 ASP 70 2HB ASP 70 -3.328 12.507 -0.850 565 HB3 ASP 70 1HB ASP 70 -3.184 11.264 0.393 566 H LEU 71 H LEU 71 -0.679 13.142 -1.765 567 HA LEU 71 HA LEU 71 0.646 10.684 -2.139 568 HB2 LEU 71 2HB LEU 71 0.094 12.451 -3.879 569 HB3 LEU 71 1HB LEU 71 1.473 13.359 -3.295 570 HG LEU 71 HG LEU 71 1.734 10.552 -4.395 571 HD11 LEU 71 1HD1 LEU 71 2.001 13.158 -5.897 572 HD12 LEU 71 2HD1 LEU 71 0.737 11.949 -6.123 573 HD13 LEU 71 3HD1 LEU 71 2.409 11.558 -6.517 574 HD21 LEU 71 3HD2 LEU 71 4.073 11.242 -4.789 575 HD22 LEU 71 1HD2 LEU 71 3.639 11.282 -3.081 576 HD23 LEU 71 2HD2 LEU 71 3.735 12.783 -3.999 577 H ASP 72 H ASP 72 1.739 13.782 -0.792 578 HA ASP 72 HA ASP 72 4.411 13.128 -0.282 579 HB2 ASP 72 2HB ASP 72 2.616 14.938 1.359 580 HB3 ASP 72 1HB ASP 72 4.378 14.946 1.363 581 H ARG 73 H ARG 73 1.523 12.685 1.757 582 HA ARG 73 HA ARG 73 2.623 11.651 4.070 583 HB2 ARG 73 2HB ARG 73 0.080 10.844 2.636 584 HB3 ARG 73 1HB ARG 73 0.495 10.280 4.248 585 HG2 ARG 73 2HG ARG 73 0.364 12.480 5.143 586 HG3 ARG 73 1HG ARG 73 0.216 13.193 3.534 587 HD2 ARG 73 2HD ARG 73 -1.952 13.127 4.636 588 HD3 ARG 73 1HD ARG 73 -1.943 12.051 3.240 589 HE ARG 73 HE ARG 73 -1.310 10.730 5.707 590 HH11 ARG 73 1HH1 ARG 73 -3.867 11.755 3.634 591 HH12 ARG 73 2HH1 ARG 73 -5.003 10.646 4.317 592 HH21 ARG 73 1HH2 ARG 73 -2.790 9.292 6.549 593 HH22 ARG 73 2HH2 ARG 73 -4.400 9.266 5.930 594 H GLN 74 H GLN 74 1.582 9.746 1.230 595 HA GLN 74 HA GLN 74 2.523 7.277 2.258 596 HB2 GLN 74 2HB GLN 74 0.784 7.640 0.427 597 HB3 GLN 74 1HB GLN 74 2.131 7.909 -0.673 598 HG2 GLN 74 2HG GLN 74 2.967 5.673 -0.250 599 HG3 GLN 74 1HG GLN 74 1.702 5.401 0.945 600 HE21 GLN 74 1HE2 GLN 74 2.239 3.831 -1.377 601 HE22 GLN 74 2HE2 GLN 74 0.825 3.888 -2.362 602 H LYS 75 H LYS 75 3.966 9.646 0.039 603 HA LYS 75 HA LYS 75 6.217 8.136 -0.707 604 HB2 LYS 75 2HB LYS 75 5.488 10.163 -1.903 605 HB3 LYS 75 1HB LYS 75 5.969 11.147 -0.526 606 HG2 LYS 75 2HG LYS 75 8.288 10.518 -0.834 607 HG3 LYS 75 1HG LYS 75 7.843 9.421 -2.142 608 HD2 LYS 75 2HD LYS 75 6.978 11.390 -3.414 609 HD3 LYS 75 1HD LYS 75 7.598 12.435 -2.134 610 HE2 LYS 75 2HE LYS 75 9.867 11.612 -2.554 611 HE3 LYS 75 1HE LYS 75 9.251 10.549 -3.820 612 HZ1 LYS 75 3HZ LYS 75 8.480 12.555 -5.004 613 HZ2 LYS 75 1HZ LYS 75 10.161 12.516 -4.805 614 HZ3 LYS 75 2HZ LYS 75 9.218 13.518 -3.825 615 H GLN 76 H GLN 76 5.923 10.611 1.874 616 HA GLN 76 HA GLN 76 8.576 10.489 2.759 617 HB2 GLN 76 2HB GLN 76 7.792 11.518 4.834 618 HB3 GLN 76 1HB GLN 76 7.024 12.268 3.441 619 HG2 GLN 76 2HG GLN 76 5.001 10.942 3.852 620 HG3 GLN 76 1HG GLN 76 5.772 10.208 5.257 621 HE21 GLN 76 1HE2 GLN 76 4.167 10.991 6.628 622 HE22 GLN 76 2HE2 GLN 76 4.062 12.652 7.068 623 H LYS 77 H LYS 77 5.762 8.541 3.714 624 HA LYS 77 HA LYS 77 7.011 7.060 5.769 625 HB2 LYS 77 2HB LYS 77 4.763 6.298 3.890 626 HB3 LYS 77 1HB LYS 77 5.235 5.353 5.294 627 HG2 LYS 77 2HG LYS 77 4.280 8.209 5.421 628 HG3 LYS 77 1HG LYS 77 3.247 6.797 5.646 629 HD2 LYS 77 2HD LYS 77 4.683 6.100 7.548 630 HD3 LYS 77 1HD LYS 77 5.620 7.584 7.351 631 HE2 LYS 77 2HE LYS 77 3.587 8.907 7.778 632 HE3 LYS 77 1HE LYS 77 2.670 7.417 7.996 633 HZ1 LYS 77 3HZ LYS 77 4.135 6.873 9.868 634 HZ2 LYS 77 1HZ LYS 77 3.295 8.319 10.118 635 HZ3 LYS 77 2HZ LYS 77 4.927 8.354 9.680 636 H LEU 78 H LEU 78 6.757 6.436 2.274 637 HA LEU 78 HA LEU 78 8.077 3.926 2.265 638 HB2 LEU 78 2HB LEU 78 7.773 5.985 0.072 639 HB3 LEU 78 1HB LEU 78 8.332 4.339 -0.175 640 HG LEU 78 HG LEU 78 5.604 5.031 0.935 641 HD11 LEU 78 1HD1 LEU 78 4.728 4.491 -1.287 642 HD12 LEU 78 2HD1 LEU 78 6.376 4.333 -1.897 643 HD13 LEU 78 3HD1 LEU 78 5.792 5.896 -1.326 644 HD21 LEU 78 3HD2 LEU 78 5.071 2.708 0.406 645 HD22 LEU 78 1HD2 LEU 78 6.423 2.802 1.533 646 HD23 LEU 78 2HD2 LEU 78 6.719 2.447 -0.170 647 H GLU 79 H GLU 79 9.283 7.196 1.498 648 HA GLU 79 HA GLU 79 11.955 6.619 1.000 649 HB2 GLU 79 2HB GLU 79 10.701 9.041 2.311 650 HB3 GLU 79 1HB GLU 79 12.389 8.972 1.833 651 HG2 GLU 79 2HG GLU 79 10.097 8.590 -0.085 652 HG3 GLU 79 1HG GLU 79 10.853 10.149 0.239 653 H ALA 80 H ALA 80 10.260 6.839 4.063 654 HA ALA 80 HA ALA 80 12.541 6.945 5.753 655 HB1 ALA 80 3HB ALA 80 9.760 5.966 6.380 656 HB2 ALA 80 1HB ALA 80 10.311 7.637 6.480 657 HB3 ALA 80 2HB ALA 80 10.995 6.418 7.555 658 H GLU 81 H GLU 81 10.948 4.280 4.142 659 HA GLU 81 HA GLU 81 12.359 2.345 5.856 660 HB2 GLU 81 2HB GLU 81 10.188 1.775 3.833 661 HB3 GLU 81 1HB GLU 81 10.834 0.665 5.036 662 HG2 GLU 81 2HG GLU 81 10.028 2.449 6.745 663 HG3 GLU 81 1HG GLU 81 9.024 3.016 5.413 664 H GLY 82 H GLY 82 13.189 3.962 3.227 665 HA2 GLY 82 2HA GLY 82 15.081 3.559 1.918 666 HA3 GLY 82 1HA GLY 82 15.042 1.876 2.412 667 H ILE 83 H ILE 83 12.451 3.754 0.870 668 HA ILE 83 HA ILE 83 12.666 1.993 -1.501 669 HB ILE 83 HB ILE 83 10.197 3.335 -0.362 670 HG12 ILE 83 2HG1 ILE 83 10.965 0.404 -0.529 671 HG13 ILE 83 1HG1 ILE 83 10.949 1.380 0.935 672 HG21 ILE 83 1HG2 ILE 83 10.103 3.272 -2.799 673 HG22 ILE 83 2HG2 ILE 83 8.951 2.134 -2.105 674 HG23 ILE 83 3HG2 ILE 83 10.467 1.546 -2.784 675 HD11 ILE 83 3HD1 ILE 83 8.997 -0.042 0.814 676 HD12 ILE 83 1HD1 ILE 83 8.552 0.665 -0.740 677 HD13 ILE 83 2HD1 ILE 83 8.531 1.657 0.719 678 H GLU 84 H GLU 84 13.104 2.976 -3.415 679 HA GLU 84 HA GLU 84 13.324 5.846 -3.559 680 HB2 GLU 84 2HB GLU 84 13.664 3.763 -5.733 681 HB3 GLU 84 1HB GLU 84 14.025 5.473 -5.908 682 HG2 GLU 84 2HG GLU 84 16.087 4.420 -5.555 683 HG3 GLU 84 1HG GLU 84 15.683 5.198 -4.025 684 H VAL 85 H VAL 85 11.397 6.911 -3.552 685 HA VAL 85 HA VAL 85 9.267 6.061 -5.361 686 HB VAL 85 HB VAL 85 9.350 8.471 -3.528 687 HG11 VAL 85 1HG1 VAL 85 7.032 7.145 -4.949 688 HG12 VAL 85 2HG1 VAL 85 7.748 8.702 -5.367 689 HG13 VAL 85 3HG1 VAL 85 6.915 8.501 -3.825 690 HG21 VAL 85 3HG2 VAL 85 9.541 6.374 -2.269 691 HG22 VAL 85 1HG2 VAL 85 8.098 5.755 -3.074 692 HG23 VAL 85 2HG2 VAL 85 7.978 7.146 -1.995 693 H SER 86 H SER 86 9.691 6.525 -7.454 694 HA SER 86 HA SER 86 11.195 8.646 -8.479 695 HB2 SER 86 2HB SER 86 8.863 7.208 -9.789 696 HB3 SER 86 1HB SER 86 10.049 8.201 -10.633 697 HG SER 86 HG SER 86 11.656 6.690 -9.738 698 H GLU 87 H GLU 87 10.653 10.668 -9.354 699 HA GLU 87 HA GLU 87 9.280 12.354 -7.738 700 HB2 GLU 87 2HB GLU 87 9.348 14.026 -9.509 701 HB3 GLU 87 1HB GLU 87 10.842 13.098 -9.475 702 HG2 GLU 87 2HG GLU 87 10.211 11.857 -11.413 703 HG3 GLU 87 1HG GLU 87 8.574 12.506 -11.369 704 H ILE 88 H ILE 88 7.856 10.821 -10.623 705 HA ILE 88 HA ILE 88 5.378 12.273 -10.362 706 HB ILE 88 HB ILE 88 4.595 10.723 -12.227 707 HG12 ILE 88 2HG1 ILE 88 6.551 9.658 -13.500 708 HG13 ILE 88 1HG1 ILE 88 7.477 9.815 -12.016 709 HG21 ILE 88 1HG2 ILE 88 7.064 12.399 -12.680 710 HG22 ILE 88 2HG2 ILE 88 5.400 12.981 -12.631 711 HG23 ILE 88 3HG2 ILE 88 5.917 11.900 -13.925 712 HD11 ILE 88 3HD1 ILE 88 4.933 8.243 -12.330 713 HD12 ILE 88 1HD1 ILE 88 5.911 8.361 -10.869 714 HD13 ILE 88 2HD1 ILE 88 6.565 7.577 -12.306 715 H GLY 89 H GLY 89 6.442 10.087 -8.363 716 HA2 GLY 89 2HA GLY 89 5.300 8.916 -6.716 717 HA3 GLY 89 1HA GLY 89 3.808 9.162 -7.607 718 H LYS 90 H LYS 90 6.912 7.487 -8.296 719 HA LYS 90 HA LYS 90 5.326 5.032 -8.789 720 HB2 LYS 90 2HB LYS 90 6.033 5.942 -10.951 721 HB3 LYS 90 1HB LYS 90 7.708 5.965 -10.413 722 HG2 LYS 90 2HG LYS 90 7.559 3.476 -10.127 723 HG3 LYS 90 1HG LYS 90 5.974 3.546 -10.895 724 HD2 LYS 90 2HD LYS 90 6.944 4.381 -12.939 725 HD3 LYS 90 1HD LYS 90 8.531 4.528 -12.175 726 HE2 LYS 90 2HE LYS 90 7.014 1.959 -12.672 727 HE3 LYS 90 1HE LYS 90 8.433 2.521 -13.554 728 HZ1 LYS 90 3HZ LYS 90 8.337 1.792 -10.674 729 HZ2 LYS 90 1HZ LYS 90 9.699 2.401 -11.478 730 HZ3 LYS 90 2HZ LYS 90 9.062 0.893 -11.911 731 H ILE 91 H ILE 91 6.268 3.060 -8.299 732 HA ILE 91 HA ILE 91 8.807 3.104 -6.782 733 HB ILE 91 HB ILE 91 6.423 1.305 -6.243 734 HG12 ILE 91 2HG1 ILE 91 7.382 3.698 -4.637 735 HG13 ILE 91 1HG1 ILE 91 5.976 3.701 -5.696 736 HG21 ILE 91 1HG2 ILE 91 7.644 0.735 -4.167 737 HG22 ILE 91 2HG2 ILE 91 9.009 1.708 -4.720 738 HG23 ILE 91 3HG2 ILE 91 8.528 0.269 -5.621 739 HD11 ILE 91 3HD1 ILE 91 6.336 2.058 -3.204 740 HD12 ILE 91 1HD1 ILE 91 4.943 1.979 -4.286 741 HD13 ILE 91 2HD1 ILE 91 5.293 3.469 -3.408 742 H ALA 92 H ALA 92 10.068 1.103 -6.926 743 HA ALA 92 HA ALA 92 9.847 -0.180 -9.519 744 HB1 ALA 92 3HB ALA 92 12.007 -1.184 -8.965 745 HB2 ALA 92 1HB ALA 92 11.893 -0.538 -7.326 746 HB3 ALA 92 2HB ALA 92 12.024 0.559 -8.701 747 H LEU 93 H LEU 93 8.292 -1.726 -9.649 748 HA LEU 93 HA LEU 93 7.507 -3.361 -7.448 749 HB2 LEU 93 2HB LEU 93 6.821 -3.432 -10.374 750 HB3 LEU 93 1HB LEU 93 6.197 -4.621 -9.246 751 HG LEU 93 HG LEU 93 5.696 -1.639 -9.164 752 HD11 LEU 93 1HD1 LEU 93 3.880 -3.977 -9.756 753 HD12 LEU 93 2HD1 LEU 93 4.430 -2.751 -10.902 754 HD13 LEU 93 3HD1 LEU 93 3.358 -2.301 -9.573 755 HD21 LEU 93 3HD2 LEU 93 4.747 -3.818 -7.295 756 HD22 LEU 93 1HD2 LEU 93 4.179 -2.146 -7.290 757 HD23 LEU 93 2HD2 LEU 93 5.859 -2.507 -6.900 758 H ARG 94 H ARG 94 10.140 -3.711 -9.553 759 HA ARG 94 HA ARG 94 10.259 -6.615 -9.096 760 HB2 ARG 94 2HB ARG 94 10.836 -5.760 -11.339 761 HB3 ARG 94 1HB ARG 94 12.120 -4.781 -10.644 762 HG2 ARG 94 2HG ARG 94 13.173 -6.931 -9.840 763 HG3 ARG 94 1HG ARG 94 11.984 -7.785 -10.824 764 HD2 ARG 94 2HD ARG 94 14.127 -7.518 -12.002 765 HD3 ARG 94 1HD ARG 94 12.815 -6.676 -12.828 766 HE ARG 94 HE ARG 94 13.683 -4.602 -11.789 767 HH11 ARG 94 1HH1 ARG 94 15.808 -7.287 -12.175 768 HH12 ARG 94 2HH1 ARG 94 17.223 -6.302 -12.122 769 HH21 ARG 94 1HH2 ARG 94 15.500 -3.363 -11.716 770 HH22 ARG 94 2HH2 ARG 94 17.056 -4.109 -11.859 771 H LYS 95 H LYS 95 11.170 -3.799 -7.535 772 HA LYS 95 HA LYS 95 13.679 -4.905 -6.446 773 HB2 LYS 95 2HB LYS 95 13.830 -2.743 -7.611 774 HB3 LYS 95 1HB LYS 95 12.663 -2.055 -6.494 775 HG2 LYS 95 2HG LYS 95 14.908 -1.363 -5.915 776 HG3 LYS 95 1HG LYS 95 14.237 -2.384 -4.645 777 HD2 LYS 95 2HD LYS 95 15.565 -4.236 -5.298 778 HD3 LYS 95 1HD LYS 95 16.020 -3.466 -6.821 779 HE2 LYS 95 2HE LYS 95 17.826 -3.437 -5.118 780 HE3 LYS 95 1HE LYS 95 17.350 -1.831 -5.664 781 HZ1 LYS 95 3HZ LYS 95 16.427 -3.112 -3.146 782 HZ2 LYS 95 1HZ LYS 95 16.073 -1.538 -3.658 783 HZ3 LYS 95 2HZ LYS 95 17.657 -1.959 -3.254 784 H TYR 96 H TYR 96 10.532 -3.595 -5.467 785 HA TYR 96 HA TYR 96 11.182 -4.313 -2.674 786 HB2 TYR 96 2HB TYR 96 9.681 -1.853 -3.611 787 HB3 TYR 96 1HB TYR 96 9.824 -2.357 -1.926 788 HD1 TYR 96 HD1 TYR 96 12.288 -2.763 -1.095 789 HD2 TYR 96 HD2 TYR 96 11.253 -0.347 -4.445 790 HE1 TYR 96 HE1 TYR 96 14.456 -1.626 -0.934 791 HE2 TYR 96 HE2 TYR 96 13.417 0.800 -4.291 792 HH TYR 96 HH TYR 96 15.183 1.220 -2.639 793 H LYS 97 H LYS 97 9.527 -5.495 -5.011 794 HA LYS 97 HA LYS 97 6.815 -5.465 -4.319 795 HB2 LYS 97 2HB LYS 97 7.759 -6.291 -6.455 796 HB3 LYS 97 1HB LYS 97 8.389 -7.700 -5.613 797 HG2 LYS 97 2HG LYS 97 6.116 -8.389 -5.055 798 HG3 LYS 97 1HG LYS 97 5.486 -6.952 -5.863 799 HD2 LYS 97 2HD LYS 97 6.388 -7.724 -7.991 800 HD3 LYS 97 1HD LYS 97 7.095 -9.132 -7.194 801 HE2 LYS 97 2HE LYS 97 4.992 -9.712 -8.327 802 HE3 LYS 97 1HE LYS 97 4.858 -9.929 -6.583 803 HZ1 LYS 97 3HZ LYS 97 3.787 -7.669 -8.184 804 HZ2 LYS 97 1HZ LYS 97 3.775 -7.717 -6.494 805 HZ3 LYS 97 2HZ LYS 97 2.891 -8.852 -7.377 806 H TRP 98 H TRP 98 5.616 -6.547 -2.814 807 HA TRP 98 HA TRP 98 6.857 -7.921 -0.676 808 HB2 TRP 98 2HB TRP 98 4.739 -6.796 -0.312 809 HB3 TRP 98 1HB TRP 98 3.941 -7.823 -1.499 810 HD1 TRP 98 HD1 TRP 98 6.307 -9.387 1.068 811 HE1 TRP 98 HE1 TRP 98 4.947 -10.846 2.688 812 HE3 TRP 98 HE3 TRP 98 1.589 -8.112 -0.446 813 HZ2 TRP 98 HZ2 TRP 98 2.249 -11.391 3.250 814 HZ3 TRP 98 HZ3 TRP 98 -0.327 -9.156 0.690 815 HH2 TRP 98 HH2 TRP 98 0.000 -10.764 2.506 816 H GLN 99 H GLN 99 8.052 -9.657 -1.383 817 HA GLN 99 HA GLN 99 6.647 -11.897 -2.654 818 HB2 GLN 99 2HB GLN 99 9.570 -11.387 -2.071 819 HB3 GLN 99 1HB GLN 99 8.974 -12.932 -2.660 820 HG2 GLN 99 2HG GLN 99 8.630 -10.306 -4.106 821 HG3 GLN 99 1HG GLN 99 9.911 -11.474 -4.432 822 HE21 GLN 99 1HE2 GLN 99 9.359 -13.466 -5.380 823 HE22 GLN 99 2HE2 GLN 99 7.854 -13.699 -6.198 824 HA PRO 100 HA PRO 100 6.197 -13.398 1.666 825 HB2 PRO 100 2HB PRO 100 4.240 -15.208 1.045 826 HB3 PRO 100 1HB PRO 100 3.918 -13.500 1.367 827 HG2 PRO 100 2HG PRO 100 4.208 -14.905 -1.269 828 HG3 PRO 100 1HG PRO 100 2.995 -13.711 -0.766 829 HD2 PRO 100 2HD PRO 100 5.116 -13.020 -2.277 830 HD3 PRO 100 1HD PRO 100 4.450 -11.924 -1.048 831 H LEU 101 H LEU 101 7.332 -14.780 -1.205 832 HA LEU 101 HA LEU 101 8.778 -16.466 -1.652 833 HB2 LEU 101 2HB LEU 101 9.037 -16.607 1.356 834 HB3 LEU 101 1HB LEU 101 10.093 -17.426 0.221 835 HG LEU 101 HG LEU 101 9.800 -14.427 0.514 836 HD11 LEU 101 1HD1 LEU 101 12.052 -16.287 1.275 837 HD12 LEU 101 2HD1 LEU 101 10.999 -15.399 2.379 838 HD13 LEU 101 3HD1 LEU 101 12.117 -14.524 1.332 839 HD21 LEU 101 3HD2 LEU 101 11.662 -14.279 -1.072 840 HD22 LEU 101 1HD2 LEU 101 10.253 -15.047 -1.803 841 HD23 LEU 101 2HD2 LEU 101 11.624 -16.029 -1.286 842 H GLU 102 H GLU 102 5.856 -17.028 -1.017 843 HA GLU 102 HA GLU 102 6.029 -19.869 -0.312 844 HB2 GLU 102 2HB GLU 102 3.506 -19.753 -0.282 845 HB3 GLU 102 1HB GLU 102 4.335 -18.790 0.932 846 HG2 GLU 102 2HG GLU 102 3.990 -16.782 -0.433 847 HG3 GLU 102 1HG GLU 102 3.141 -17.752 -1.637 Start of MODEL 14 1 H1 MET 1 1H MET 1 -17.379 -2.574 12.470 2 H2 MET 1 2H MET 1 -16.351 -2.051 13.703 3 H3 MET 1 3H MET 1 -16.706 -3.699 13.543 4 HA MET 1 HA MET 1 -15.209 -2.041 11.590 5 HB2 MET 1 2HB MET 1 -14.061 -2.639 13.783 6 HB3 MET 1 1HB MET 1 -14.180 -4.323 13.292 7 HG2 MET 1 2HG MET 1 -11.978 -3.424 12.807 8 HG3 MET 1 1HG MET 1 -12.823 -3.848 11.317 9 HE1 MET 1 3HE MET 1 -10.846 -2.384 10.138 10 HE2 MET 1 1HE MET 1 -10.208 -1.864 11.698 11 HE3 MET 1 2HE MET 1 -10.598 -0.668 10.461 12 H ASP 2 H ASP 2 -15.831 -2.730 9.626 13 HA ASP 2 HA ASP 2 -17.153 -5.139 9.083 14 HB2 ASP 2 2HB ASP 2 -15.621 -3.419 7.118 15 HB3 ASP 2 1HB ASP 2 -16.936 -4.534 6.744 16 H GLN 3 H GLN 3 -16.529 -7.137 8.399 17 HA GLN 3 HA GLN 3 -13.956 -8.133 8.782 18 HB2 GLN 3 2HB GLN 3 -16.295 -9.149 7.180 19 HB3 GLN 3 1HB GLN 3 -14.776 -10.034 7.222 20 HG2 GLN 3 2HG GLN 3 -16.360 -9.271 9.668 21 HG3 GLN 3 1HG GLN 3 -16.475 -10.830 8.851 22 HE21 GLN 3 1HE2 GLN 3 -15.586 -10.121 11.569 23 HE22 GLN 3 2HE2 GLN 3 -14.003 -10.791 11.719 24 H PHE 4 H PHE 4 -15.339 -6.600 5.947 25 HA PHE 4 HA PHE 4 -13.415 -7.202 4.025 26 HB2 PHE 4 2HB PHE 4 -15.405 -5.900 3.478 27 HB3 PHE 4 1HB PHE 4 -14.867 -4.583 4.514 28 HD1 PHE 4 HD1 PHE 4 -14.088 -6.433 1.398 29 HD2 PHE 4 HD2 PHE 4 -13.404 -2.915 3.704 30 HE1 PHE 4 HE1 PHE 4 -12.924 -5.410 -0.512 31 HE2 PHE 4 HE2 PHE 4 -12.240 -1.890 1.798 32 HZ PHE 4 HZ PHE 4 -11.998 -3.135 -0.313 33 H LEU 5 H LEU 5 -13.429 -4.550 6.379 34 HA LEU 5 HA LEU 5 -10.843 -3.560 5.802 35 HB2 LEU 5 2HB LEU 5 -12.372 -3.346 8.404 36 HB3 LEU 5 1HB LEU 5 -11.071 -2.299 7.866 37 HG LEU 5 HG LEU 5 -13.784 -2.510 6.536 38 HD11 LEU 5 1HD1 LEU 5 -13.939 -1.470 8.736 39 HD12 LEU 5 2HD1 LEU 5 -14.198 -0.289 7.454 40 HD13 LEU 5 3HD1 LEU 5 -12.654 -0.342 8.305 41 HD21 LEU 5 3HD2 LEU 5 -13.057 -0.530 5.277 42 HD22 LEU 5 1HD2 LEU 5 -12.030 -1.927 4.954 43 HD23 LEU 5 2HD2 LEU 5 -11.465 -0.644 6.025 44 H VAL 6 H VAL 6 -12.034 -5.698 8.390 45 HA VAL 6 HA VAL 6 -9.679 -6.078 9.808 46 HB VAL 6 HB VAL 6 -11.881 -8.110 9.347 47 HG11 VAL 6 1HG1 VAL 6 -11.139 -9.113 11.467 48 HG12 VAL 6 2HG1 VAL 6 -9.787 -7.980 11.525 49 HG13 VAL 6 3HG1 VAL 6 -9.880 -9.180 10.235 50 HG21 VAL 6 3HG2 VAL 6 -12.805 -7.282 11.466 51 HG22 VAL 6 1HG2 VAL 6 -12.730 -6.004 10.252 52 HG23 VAL 6 2HG2 VAL 6 -11.534 -6.062 11.546 53 H GLN 7 H GLN 7 -10.914 -8.063 7.106 54 HA GLN 7 HA GLN 7 -8.816 -9.940 7.111 55 HB2 GLN 7 2HB GLN 7 -10.688 -9.116 4.882 56 HB3 GLN 7 1HB GLN 7 -9.588 -10.485 4.783 57 HG2 GLN 7 2HG GLN 7 -11.865 -10.153 6.735 58 HG3 GLN 7 1HG GLN 7 -11.828 -11.224 5.335 59 HE21 GLN 7 1HE2 GLN 7 -10.755 -10.720 8.576 60 HE22 GLN 7 2HE2 GLN 7 -10.080 -12.287 8.824 61 H ILE 8 H ILE 8 -9.280 -7.115 4.922 62 HA ILE 8 HA ILE 8 -6.893 -7.549 3.485 63 HB ILE 8 HB ILE 8 -7.092 -5.236 2.668 64 HG12 ILE 8 2HG1 ILE 8 -9.395 -5.015 4.629 65 HG13 ILE 8 1HG1 ILE 8 -7.863 -4.158 4.748 66 HG21 ILE 8 1HG2 ILE 8 -9.732 -6.705 2.739 67 HG22 ILE 8 2HG2 ILE 8 -8.397 -7.035 1.634 68 HG23 ILE 8 3HG2 ILE 8 -9.249 -5.492 1.551 69 HD11 ILE 8 3HD1 ILE 8 -8.373 -2.961 2.685 70 HD12 ILE 8 1HD1 ILE 8 -9.625 -2.719 3.902 71 HD13 ILE 8 2HD1 ILE 8 -9.905 -3.827 2.558 72 H PHE 9 H PHE 9 -7.520 -5.498 6.332 73 HA PHE 9 HA PHE 9 -4.953 -4.342 6.496 74 HB2 PHE 9 2HB PHE 9 -6.986 -4.897 8.671 75 HB3 PHE 9 1HB PHE 9 -5.538 -3.925 8.901 76 HD1 PHE 9 HD1 PHE 9 -6.243 -3.050 5.725 77 HD2 PHE 9 HD2 PHE 9 -7.990 -2.697 9.598 78 HE1 PHE 9 HE1 PHE 9 -7.456 -1.043 4.993 79 HE2 PHE 9 HE2 PHE 9 -9.206 -0.688 8.863 80 HZ PHE 9 HZ PHE 9 -8.939 0.141 6.561 81 H ALA 10 H ALA 10 -6.280 -7.289 7.974 82 HA ALA 10 HA ALA 10 -4.123 -8.072 9.532 83 HB1 ALA 10 3HB ALA 10 -6.311 -9.190 9.549 84 HB2 ALA 10 1HB ALA 10 -4.990 -10.343 9.358 85 HB3 ALA 10 2HB ALA 10 -5.968 -9.881 7.963 86 H VAL 11 H VAL 11 -4.660 -8.619 6.060 87 HA VAL 11 HA VAL 11 -2.365 -10.246 5.635 88 HB VAL 11 HB VAL 11 -3.819 -8.502 3.624 89 HG11 VAL 11 1HG1 VAL 11 -2.023 -10.900 3.201 90 HG12 VAL 11 2HG1 VAL 11 -1.618 -9.224 2.831 91 HG13 VAL 11 3HG1 VAL 11 -2.906 -10.035 1.941 92 HG21 VAL 11 3HG2 VAL 11 -5.351 -10.049 4.727 93 HG22 VAL 11 1HG2 VAL 11 -4.275 -11.399 4.362 94 HG23 VAL 11 2HG2 VAL 11 -5.079 -10.531 3.054 95 H ILE 12 H ILE 12 -2.895 -6.758 5.525 96 HA ILE 12 HA ILE 12 -0.479 -5.974 4.324 97 HB ILE 12 HB ILE 12 -2.146 -4.474 6.354 98 HG12 ILE 12 2HG1 ILE 12 -2.144 -4.294 3.328 99 HG13 ILE 12 1HG1 ILE 12 -3.333 -5.189 4.265 100 HG21 ILE 12 1HG2 ILE 12 0.071 -3.502 6.214 101 HG22 ILE 12 2HG2 ILE 12 -1.092 -2.445 5.416 102 HG23 ILE 12 3HG2 ILE 12 -0.024 -3.466 4.453 103 HD11 ILE 12 3HD1 ILE 12 -2.866 -2.217 4.362 104 HD12 ILE 12 1HD1 ILE 12 -4.037 -3.104 5.340 105 HD13 ILE 12 2HD1 ILE 12 -4.213 -3.050 3.587 106 H HIS 13 H HIS 13 -1.228 -6.695 7.722 107 HA HIS 13 HA HIS 13 1.165 -5.757 8.869 108 HB2 HIS 13 2HB HIS 13 -0.657 -8.013 9.724 109 HB3 HIS 13 1HB HIS 13 0.710 -7.461 10.687 110 HD2 HIS 13 HD2 HIS 13 -2.942 -6.597 10.016 111 HE1 HIS 13 HE1 HIS 13 -1.297 -3.473 12.350 112 HE2 HIS 13 HE2 HIS 13 -3.433 -4.607 11.600 113 H GLN 14 H GLN 14 0.645 -8.559 6.884 114 HA GLN 14 HA GLN 14 2.974 -10.006 7.789 115 HB2 GLN 14 2HB GLN 14 0.942 -10.406 5.632 116 HB3 GLN 14 1HB GLN 14 2.462 -11.278 5.516 117 HG2 GLN 14 2HG GLN 14 0.739 -12.629 6.569 118 HG3 GLN 14 1HG GLN 14 2.067 -12.307 7.679 119 HE21 GLN 14 1HE2 GLN 14 -1.266 -11.721 6.963 120 HE22 GLN 14 2HE2 GLN 14 -1.668 -10.979 8.468 121 H ILE 15 H ILE 15 2.695 -7.274 5.877 122 HA ILE 15 HA ILE 15 4.763 -7.854 3.960 123 HB ILE 15 HB ILE 15 3.710 -5.150 4.831 124 HG12 ILE 15 2HG1 ILE 15 2.859 -6.882 2.489 125 HG13 ILE 15 1HG1 ILE 15 1.928 -6.653 3.965 126 HG21 ILE 15 1HG2 ILE 15 5.248 -5.981 2.363 127 HG22 ILE 15 2HG2 ILE 15 5.850 -4.982 3.687 128 HG23 ILE 15 3HG2 ILE 15 4.559 -4.381 2.645 129 HD11 ILE 15 3HD1 ILE 15 1.712 -4.274 3.462 130 HD12 ILE 15 1HD1 ILE 15 1.073 -5.277 2.160 131 HD13 ILE 15 2HD1 ILE 15 2.647 -4.503 1.984 132 HA PRO 16 HA PRO 16 8.129 -7.050 6.885 133 HB2 PRO 16 2HB PRO 16 9.931 -7.599 4.648 134 HB3 PRO 16 1HB PRO 16 9.674 -8.535 6.122 135 HG2 PRO 16 2HG PRO 16 8.888 -9.408 3.672 136 HG3 PRO 16 1HG PRO 16 8.035 -9.839 5.167 137 HD2 PRO 16 2HD PRO 16 7.339 -7.743 3.126 138 HD3 PRO 16 1HD PRO 16 6.279 -8.908 3.954 139 H LYS 17 H LYS 17 9.647 -5.407 7.213 140 HA LYS 17 HA LYS 17 9.204 -2.942 5.994 141 HB2 LYS 17 2HB LYS 17 10.165 -3.141 8.225 142 HB3 LYS 17 1HB LYS 17 11.623 -3.864 7.558 143 HG2 LYS 17 2HG LYS 17 12.196 -1.802 6.436 144 HG3 LYS 17 1HG LYS 17 10.670 -1.065 6.930 145 HD2 LYS 17 2HD LYS 17 12.884 -1.976 8.783 146 HD3 LYS 17 1HD LYS 17 12.529 -0.305 8.337 147 HE2 LYS 17 2HE LYS 17 10.318 -0.493 9.368 148 HE3 LYS 17 1HE LYS 17 10.655 -2.171 9.799 149 HZ1 LYS 17 3HZ LYS 17 11.015 -0.719 11.669 150 HZ2 LYS 17 1HZ LYS 17 12.124 0.212 10.794 151 HZ3 LYS 17 2HZ LYS 17 12.483 -1.395 11.182 152 H GLY 18 H GLY 18 9.554 -2.496 3.940 153 HA2 GLY 18 2HA GLY 18 11.562 -1.706 2.568 154 HA3 GLY 18 1HA GLY 18 12.061 -3.390 2.649 155 H LYS 19 H LYS 19 9.273 -4.340 2.423 156 HA LYS 19 HA LYS 19 9.096 -4.167 -0.491 157 HB2 LYS 19 2HB LYS 19 7.730 -6.004 1.484 158 HB3 LYS 19 1HB LYS 19 7.519 -6.081 -0.259 159 HG2 LYS 19 2HG LYS 19 10.067 -6.572 1.277 160 HG3 LYS 19 1HG LYS 19 9.081 -7.773 0.441 161 HD2 LYS 19 2HD LYS 19 9.542 -6.572 -1.699 162 HD3 LYS 19 1HD LYS 19 10.639 -5.508 -0.819 163 HE2 LYS 19 2HE LYS 19 10.904 -8.497 -1.143 164 HE3 LYS 19 1HE LYS 19 11.887 -7.265 -1.931 165 HZ1 LYS 19 3HZ LYS 19 12.790 -6.625 0.179 166 HZ2 LYS 19 1HZ LYS 19 12.966 -8.296 0.005 167 HZ3 LYS 19 2HZ LYS 19 11.756 -7.674 1.007 168 H VAL 20 H VAL 20 7.069 -3.953 -1.567 169 HA VAL 20 HA VAL 20 4.895 -2.661 -0.056 170 HB VAL 20 HB VAL 20 4.416 -1.210 -2.006 171 HG11 VAL 20 1HG1 VAL 20 6.277 0.372 -1.709 172 HG12 VAL 20 2HG1 VAL 20 7.212 -0.889 -0.904 173 HG13 VAL 20 3HG1 VAL 20 5.722 -0.292 -0.172 174 HG21 VAL 20 3HG2 VAL 20 6.116 -0.935 -3.779 175 HG22 VAL 20 1HG2 VAL 20 5.406 -2.549 -3.775 176 HG23 VAL 20 2HG2 VAL 20 7.017 -2.295 -3.106 177 H SER 21 H SER 21 2.800 -3.106 -0.807 178 HA SER 21 HA SER 21 2.593 -5.333 -2.747 179 HB2 SER 21 2HB SER 21 0.678 -6.171 -1.474 180 HB3 SER 21 1HB SER 21 2.093 -6.048 -0.428 181 HG SER 21 HG SER 21 1.206 -3.949 0.223 182 H THR 22 H THR 22 0.566 -5.443 -3.954 183 HA THR 22 HA THR 22 -0.574 -2.764 -4.427 184 HB THR 22 HB THR 22 -1.372 -3.601 -6.579 185 HG1 THR 22 HG1 THR 22 -0.079 -6.060 -5.902 186 HG21 THR 22 3HG2 THR 22 0.785 -3.985 -7.678 187 HG22 THR 22 1HG2 THR 22 1.533 -4.310 -6.114 188 HG23 THR 22 2HG2 THR 22 0.909 -2.700 -6.477 189 H TYR 23 H TYR 23 -2.823 -2.430 -4.541 190 HA TYR 23 HA TYR 23 -4.403 -3.577 -2.600 191 HB2 TYR 23 2HB TYR 23 -5.364 -2.322 -5.181 192 HB3 TYR 23 1HB TYR 23 -6.345 -2.574 -3.743 193 HD1 TYR 23 HD2 TYR 23 -5.140 -1.562 -1.521 194 HD2 TYR 23 HD1 TYR 23 -4.604 -0.162 -5.504 195 HE1 TYR 23 HE2 TYR 23 -4.443 0.627 -0.654 196 HE2 TYR 23 HE1 TYR 23 -3.908 2.029 -4.644 197 HH TYR 23 HH TYR 23 -3.067 2.545 -1.419 198 H GLY 24 H GLY 24 -4.157 -4.538 -5.997 199 HA2 GLY 24 2HA GLY 24 -6.248 -6.402 -6.089 200 HA3 GLY 24 1HA GLY 24 -4.820 -6.432 -7.108 201 H GLU 25 H GLU 25 -2.936 -6.762 -4.915 202 HA GLU 25 HA GLU 25 -3.058 -9.614 -4.619 203 HB2 GLU 25 2HB GLU 25 -1.191 -7.588 -3.363 204 HB3 GLU 25 1HB GLU 25 -0.970 -9.333 -3.315 205 HG2 GLU 25 2HG GLU 25 -0.777 -9.384 -5.743 206 HG3 GLU 25 1HG GLU 25 -1.014 -7.641 -5.806 207 H ILE 26 H ILE 26 -3.113 -6.930 -2.259 208 HA ILE 26 HA ILE 26 -3.549 -8.442 0.047 209 HB ILE 26 HB ILE 26 -4.519 -5.630 -0.541 210 HG12 ILE 26 2HG1 ILE 26 -2.087 -5.887 -0.832 211 HG13 ILE 26 1HG1 ILE 26 -2.457 -4.899 0.576 212 HG21 ILE 26 1HG2 ILE 26 -4.520 -5.319 1.897 213 HG22 ILE 26 2HG2 ILE 26 -4.128 -7.025 2.110 214 HG23 ILE 26 3HG2 ILE 26 -5.671 -6.559 1.392 215 HD11 ILE 26 3HD1 ILE 26 -2.018 -6.807 2.034 216 HD12 ILE 26 1HD1 ILE 26 -0.626 -6.430 1.020 217 HD13 ILE 26 2HD1 ILE 26 -1.658 -7.804 0.624 218 H ALA 27 H ALA 27 -6.010 -6.777 -1.961 219 HA ALA 27 HA ALA 27 -8.283 -7.651 -0.590 220 HB1 ALA 27 3HB ALA 27 -8.337 -5.863 -2.249 221 HB2 ALA 27 1HB ALA 27 -9.524 -7.110 -2.635 222 HB3 ALA 27 2HB ALA 27 -8.006 -7.024 -3.533 223 H LYS 28 H LYS 28 -6.763 -9.097 -3.489 224 HA LYS 28 HA LYS 28 -8.518 -11.248 -3.810 225 HB2 LYS 28 2HB LYS 28 -6.799 -10.497 -5.456 226 HB3 LYS 28 1HB LYS 28 -5.555 -11.214 -4.442 227 HG2 LYS 28 2HG LYS 28 -6.592 -13.423 -4.764 228 HG3 LYS 28 1HG LYS 28 -7.807 -12.685 -5.807 229 HD2 LYS 28 2HD LYS 28 -4.825 -12.743 -6.321 230 HD3 LYS 28 1HD LYS 28 -6.030 -13.757 -7.113 231 HE2 LYS 28 2HE LYS 28 -5.644 -12.059 -8.665 232 HE3 LYS 28 1HE LYS 28 -7.114 -11.537 -7.849 233 HZ1 LYS 28 3HZ LYS 28 -4.376 -10.563 -7.228 234 HZ2 LYS 28 1HZ LYS 28 -5.809 -10.021 -6.510 235 HZ3 LYS 28 2HZ LYS 28 -5.522 -9.730 -8.148 236 H MET 29 H MET 29 -5.440 -11.120 -2.019 237 HA MET 29 HA MET 29 -5.632 -13.820 -1.078 238 HB2 MET 29 2HB MET 29 -3.830 -11.520 -0.316 239 HB3 MET 29 1HB MET 29 -3.699 -13.113 0.411 240 HG2 MET 29 2HG MET 29 -3.350 -14.063 -1.863 241 HG3 MET 29 1HG MET 29 -3.323 -12.418 -2.496 242 HE1 MET 29 3HE MET 29 -1.787 -10.833 -0.204 243 HE2 MET 29 1HE MET 29 -1.437 -10.639 -1.923 244 HE3 MET 29 2HE MET 29 -0.126 -10.941 -0.785 245 H ALA 30 H ALA 30 -7.150 -10.965 -0.086 246 HA ALA 30 HA ALA 30 -7.719 -12.009 2.599 247 HB1 ALA 30 3HB ALA 30 -8.883 -9.885 2.962 248 HB2 ALA 30 1HB ALA 30 -8.583 -9.431 1.285 249 HB3 ALA 30 2HB ALA 30 -7.232 -9.621 2.401 250 H GLY 31 H GLY 31 -8.929 -12.242 -0.524 251 HA2 GLY 31 2HA GLY 31 -10.690 -13.689 -1.123 252 HA3 GLY 31 1HA GLY 31 -11.410 -13.459 0.460 253 H TYR 32 H TYR 32 -10.376 -10.924 -1.796 254 HA TYR 32 HA TYR 32 -13.184 -10.258 -2.354 255 HB2 TYR 32 2HB TYR 32 -11.140 -8.255 -1.354 256 HB3 TYR 32 1HB TYR 32 -12.778 -7.876 -1.872 257 HD1 TYR 32 HD1 TYR 32 -14.714 -8.593 -0.500 258 HD2 TYR 32 HD2 TYR 32 -10.710 -9.192 0.825 259 HE1 TYR 32 HE1 TYR 32 -15.531 -8.987 1.785 260 HE2 TYR 32 HE2 TYR 32 -11.519 -9.574 3.114 261 HH TYR 32 HH TYR 32 -13.411 -9.137 4.502 262 HA PRO 33 HA PRO 33 -10.742 -9.982 -6.235 263 HB2 PRO 33 2HB PRO 33 -12.624 -11.011 -7.873 264 HB3 PRO 33 1HB PRO 33 -11.605 -12.034 -6.855 265 HG2 PRO 33 2HG PRO 33 -14.427 -11.121 -6.401 266 HG3 PRO 33 1HG PRO 33 -13.717 -12.728 -6.149 267 HD2 PRO 33 2HD PRO 33 -14.131 -10.927 -4.129 268 HD3 PRO 33 1HD PRO 33 -12.855 -12.159 -4.093 269 H GLY 34 H GLY 34 -10.606 -8.104 -7.320 270 HA2 GLY 34 2HA GLY 34 -11.270 -6.322 -8.647 271 HA3 GLY 34 1HA GLY 34 -12.928 -6.874 -8.515 272 H TYR 35 H TYR 35 -11.558 -6.537 -5.442 273 HA TYR 35 HA TYR 35 -12.939 -3.963 -5.082 274 HB2 TYR 35 2HB TYR 35 -12.126 -6.103 -3.105 275 HB3 TYR 35 1HB TYR 35 -12.801 -4.549 -2.625 276 HD1 TYR 35 HD1 TYR 35 -13.523 -7.788 -4.197 277 HD2 TYR 35 HD2 TYR 35 -15.157 -4.045 -2.996 278 HE1 TYR 35 HE1 TYR 35 -15.789 -8.690 -4.482 279 HE2 TYR 35 HE2 TYR 35 -17.428 -4.940 -3.278 280 HH TYR 35 HH TYR 35 -18.585 -6.690 -4.447 281 H ALA 36 H ALA 36 -10.134 -4.341 -6.140 282 HA ALA 36 HA ALA 36 -8.180 -3.628 -4.282 283 HB1 ALA 36 3HB ALA 36 -6.865 -2.888 -6.202 284 HB2 ALA 36 1HB ALA 36 -8.315 -2.881 -7.207 285 HB3 ALA 36 2HB ALA 36 -7.698 -4.400 -6.559 286 H ARG 37 H ARG 37 -10.039 -1.473 -6.441 287 HA ARG 37 HA ARG 37 -9.091 0.980 -5.531 288 HB2 ARG 37 2HB ARG 37 -11.214 1.914 -6.410 289 HB3 ARG 37 1HB ARG 37 -10.457 0.782 -7.525 290 HG2 ARG 37 2HG ARG 37 -12.009 -0.984 -6.653 291 HG3 ARG 37 1HG ARG 37 -12.842 0.281 -5.750 292 HD2 ARG 37 2HD ARG 37 -13.416 1.425 -7.798 293 HD3 ARG 37 1HD ARG 37 -12.464 0.278 -8.745 294 HE ARG 37 HE ARG 37 -14.656 -0.796 -7.152 295 HH11 ARG 37 1HH1 ARG 37 -13.501 0.173 -10.241 296 HH12 ARG 37 2HH1 ARG 37 -14.700 -0.732 -11.096 297 HH21 ARG 37 1HH2 ARG 37 -16.167 -1.980 -8.243 298 HH22 ARG 37 2HH2 ARG 37 -16.186 -1.956 -9.974 299 H HIS 38 H HIS 38 -11.499 -1.142 -4.089 300 HA HIS 38 HA HIS 38 -12.521 0.812 -2.251 301 HB2 HIS 38 2HB HIS 38 -12.809 -2.202 -2.288 302 HB3 HIS 38 1HB HIS 38 -13.669 -1.129 -1.188 303 HD2 HIS 38 HD2 HIS 38 -13.926 -2.504 -4.748 304 HE1 HIS 38 HE1 HIS 38 -16.897 0.473 -4.300 305 HE2 HIS 38 HE2 HIS 38 -16.160 -1.540 -5.643 306 H VAL 39 H VAL 39 -10.012 -1.675 -2.100 307 HA VAL 39 HA VAL 39 -9.418 -1.487 0.649 308 HB VAL 39 HB VAL 39 -7.477 -1.980 -1.630 309 HG11 VAL 39 1HG1 VAL 39 -7.227 -2.634 1.314 310 HG12 VAL 39 2HG1 VAL 39 -6.319 -1.398 0.444 311 HG13 VAL 39 3HG1 VAL 39 -6.083 -3.101 0.054 312 HG21 VAL 39 3HG2 VAL 39 -9.059 -3.942 0.042 313 HG22 VAL 39 1HG2 VAL 39 -7.841 -4.365 -1.164 314 HG23 VAL 39 2HG2 VAL 39 -9.334 -3.567 -1.659 315 H GLY 40 H GLY 40 -8.285 0.427 -2.129 316 HA2 GLY 40 2HA GLY 40 -6.621 2.234 -0.761 317 HA3 GLY 40 1HA GLY 40 -7.492 2.585 -2.246 318 H LYS 41 H LYS 41 -10.132 2.295 -1.271 319 HA LYS 41 HA LYS 41 -10.690 4.771 -0.055 320 HB2 LYS 41 2HB LYS 41 -12.353 2.246 -0.210 321 HB3 LYS 41 1HB LYS 41 -12.968 3.788 0.369 322 HG2 LYS 41 2HG LYS 41 -12.595 4.795 -1.803 323 HG3 LYS 41 1HG LYS 41 -11.861 3.301 -2.395 324 HD2 LYS 41 2HD LYS 41 -13.947 2.120 -2.185 325 HD3 LYS 41 1HD LYS 41 -14.699 3.496 -1.374 326 HE2 LYS 41 2HE LYS 41 -13.676 3.512 -4.218 327 HE3 LYS 41 1HE LYS 41 -15.360 3.276 -3.752 328 HZ1 LYS 41 3HZ LYS 41 -15.306 5.474 -2.692 329 HZ2 LYS 41 1HZ LYS 41 -14.990 5.558 -4.352 330 HZ3 LYS 41 2HZ LYS 41 -13.724 5.700 -3.244 331 H ALA 42 H ALA 42 -10.334 1.529 1.320 332 HA ALA 42 HA ALA 42 -11.059 2.110 3.979 333 HB1 ALA 42 3HB ALA 42 -10.885 -0.168 3.144 334 HB2 ALA 42 1HB ALA 42 -9.839 0.047 4.548 335 HB3 ALA 42 2HB ALA 42 -9.145 0.022 2.925 336 H LEU 43 H LEU 43 -7.807 1.995 2.474 337 HA LEU 43 HA LEU 43 -6.380 2.787 4.781 338 HB2 LEU 43 2HB LEU 43 -5.602 3.213 1.891 339 HB3 LEU 43 1HB LEU 43 -4.518 3.246 3.269 340 HG LEU 43 HG LEU 43 -5.992 0.835 2.194 341 HD11 LEU 43 1HD1 LEU 43 -4.043 1.539 0.881 342 HD12 LEU 43 2HD1 LEU 43 -3.781 -0.013 1.676 343 HD13 LEU 43 3HD1 LEU 43 -3.041 1.449 2.329 344 HD21 LEU 43 3HD2 LEU 43 -4.822 -0.461 3.908 345 HD22 LEU 43 1HD2 LEU 43 -5.896 0.734 4.635 346 HD23 LEU 43 2HD2 LEU 43 -4.157 1.024 4.589 347 H GLY 44 H GLY 44 -7.859 4.667 2.170 348 HA2 GLY 44 2HA GLY 44 -6.821 7.203 2.927 349 HA3 GLY 44 1HA GLY 44 -8.235 6.927 1.926 350 H ASN 45 H ASN 45 -9.038 5.266 4.556 351 HA ASN 45 HA ASN 45 -10.379 7.544 5.844 352 HB2 ASN 45 2HB ASN 45 -11.741 5.610 5.036 353 HB3 ASN 45 1HB ASN 45 -10.892 4.571 6.174 354 HD21 ASN 45 1HD2 ASN 45 -11.298 4.828 8.401 355 HD22 ASN 45 2HD2 ASN 45 -12.701 5.652 8.973 356 H LEU 46 H LEU 46 -7.613 5.742 6.262 357 HA LEU 46 HA LEU 46 -7.752 5.291 9.109 358 HB2 LEU 46 2HB LEU 46 -5.498 5.030 7.115 359 HB3 LEU 46 1HB LEU 46 -5.332 4.643 8.817 360 HG LEU 46 HG LEU 46 -7.218 3.272 6.890 361 HD11 LEU 46 1HD1 LEU 46 -4.618 2.344 8.113 362 HD12 LEU 46 2HD1 LEU 46 -4.908 2.712 6.412 363 HD13 LEU 46 3HD1 LEU 46 -5.718 1.341 7.168 364 HD21 LEU 46 3HD2 LEU 46 -7.588 1.687 8.725 365 HD22 LEU 46 1HD2 LEU 46 -8.105 3.314 9.164 366 HD23 LEU 46 2HD2 LEU 46 -6.583 2.676 9.784 367 HA PRO 47 HA PRO 47 -5.936 9.108 10.616 368 HB2 PRO 47 2HB PRO 47 -4.421 7.457 12.544 369 HB3 PRO 47 1HB PRO 47 -5.615 8.720 12.848 370 HG2 PRO 47 2HG PRO 47 -6.149 6.113 13.263 371 HG3 PRO 47 1HG PRO 47 -7.392 7.256 12.720 372 HD2 PRO 47 2HD PRO 47 -5.884 5.202 11.151 373 HD3 PRO 47 1HD PRO 47 -7.579 5.710 11.011 374 H GLU 48 H GLU 48 -4.002 10.258 10.464 375 HA GLU 48 HA GLU 48 -2.079 9.327 8.624 376 HB2 GLU 48 2HB GLU 48 -2.709 11.724 9.041 377 HB3 GLU 48 1HB GLU 48 -1.781 11.657 10.533 378 HG2 GLU 48 2HG GLU 48 0.251 11.189 9.247 379 HG3 GLU 48 1HG GLU 48 -0.679 11.255 7.751 380 H GLY 49 H GLY 49 -2.318 8.758 11.972 381 HA2 GLY 49 2HA GLY 49 0.374 7.537 11.926 382 HA3 GLY 49 1HA GLY 49 -0.142 8.490 13.306 383 H SER 50 H SER 50 -1.907 6.055 11.380 384 HA SER 50 HA SER 50 -2.863 4.712 13.729 385 HB2 SER 50 2HB SER 50 -4.235 4.739 11.715 386 HB3 SER 50 1HB SER 50 -2.978 3.890 10.814 387 HG SER 50 HG SER 50 -4.943 2.823 12.195 388 H LYS 51 H LYS 51 -2.623 2.316 14.023 389 HA LYS 51 HA LYS 51 0.151 1.614 14.249 390 HB2 LYS 51 2HB LYS 51 -0.690 -0.497 15.219 391 HB3 LYS 51 1HB LYS 51 -1.430 0.916 15.960 392 HG2 LYS 51 2HG LYS 51 -3.458 0.582 14.692 393 HG3 LYS 51 1HG LYS 51 -2.723 -0.749 13.800 394 HD2 LYS 51 2HD LYS 51 -3.207 -0.716 16.785 395 HD3 LYS 51 1HD LYS 51 -4.242 -1.514 15.600 396 HE2 LYS 51 2HE LYS 51 -2.339 -2.937 14.931 397 HE3 LYS 51 1HE LYS 51 -1.342 -2.159 16.161 398 HZ1 LYS 51 3HZ LYS 51 -2.857 -2.983 17.855 399 HZ2 LYS 51 1HZ LYS 51 -2.228 -4.260 16.940 400 HZ3 LYS 51 2HZ LYS 51 -3.808 -3.730 16.671 401 H LEU 52 H LEU 52 -2.240 1.129 11.846 402 HA LEU 52 HA LEU 52 -0.933 -1.183 10.637 403 HB2 LEU 52 2HB LEU 52 -3.371 -1.072 10.622 404 HB3 LEU 52 1HB LEU 52 -3.320 0.468 9.784 405 HG LEU 52 HG LEU 52 -2.157 -0.770 7.876 406 HD11 LEU 52 1HD1 LEU 52 -2.559 -3.175 7.728 407 HD12 LEU 52 2HD1 LEU 52 -3.203 -3.170 9.371 408 HD13 LEU 52 3HD1 LEU 52 -1.508 -2.772 9.084 409 HD21 LEU 52 3HD2 LEU 52 -4.276 -1.585 6.960 410 HD22 LEU 52 1HD2 LEU 52 -4.457 -0.013 7.737 411 HD23 LEU 52 2HD2 LEU 52 -5.008 -1.472 8.561 412 HA PRO 53 HA PRO 53 1.466 1.575 7.964 413 HB2 PRO 53 2HB PRO 53 2.742 -0.344 6.532 414 HB3 PRO 53 1HB PRO 53 3.221 0.088 8.176 415 HG2 PRO 53 2HG PRO 53 1.557 -2.220 7.237 416 HG3 PRO 53 1HG PRO 53 2.843 -2.194 8.457 417 HD2 PRO 53 2HD PRO 53 0.189 -2.159 9.087 418 HD3 PRO 53 1HD PRO 53 1.434 -1.404 10.104 419 H TRP 54 H TRP 54 -0.270 2.441 6.800 420 HA TRP 54 HA TRP 54 -1.633 0.932 4.748 421 HB2 TRP 54 2HB TRP 54 -2.766 3.110 4.271 422 HB3 TRP 54 1HB TRP 54 -2.883 2.618 5.956 423 HD1 TRP 54 HD1 TRP 54 -1.541 4.087 7.765 424 HE1 TRP 54 HE1 TRP 54 -0.567 6.464 7.670 425 HE3 TRP 54 HE3 TRP 54 -1.663 4.827 2.697 426 HZ2 TRP 54 HZ2 TRP 54 0.060 8.401 5.718 427 HZ3 TRP 54 HZ3 TRP 54 -0.855 6.973 1.806 428 HH2 TRP 54 HH2 TRP 54 -0.014 8.722 3.286 429 H PHE 55 H PHE 55 1.009 3.181 4.915 430 HA PHE 55 HA PHE 55 1.093 4.061 2.270 431 HB2 PHE 55 2HB PHE 55 3.550 4.527 2.797 432 HB3 PHE 55 1HB PHE 55 2.346 5.288 3.826 433 HD1 PHE 55 HD1 PHE 55 4.997 2.757 3.662 434 HD2 PHE 55 HD2 PHE 55 2.094 4.639 6.147 435 HE1 PHE 55 HE1 PHE 55 6.111 1.843 5.655 436 HE2 PHE 55 HE2 PHE 55 3.205 3.724 8.140 437 HZ PHE 55 HZ PHE 55 5.217 2.326 7.896 438 H ARG 56 H ARG 56 1.900 0.943 3.469 439 HA ARG 56 HA ARG 56 3.786 0.346 1.333 440 HB2 ARG 56 2HB ARG 56 2.679 -1.347 3.577 441 HB3 ARG 56 1HB ARG 56 3.789 -1.959 2.357 442 HG2 ARG 56 2HG ARG 56 5.386 -0.143 3.055 443 HG3 ARG 56 1HG ARG 56 4.307 0.172 4.415 444 HD2 ARG 56 2HD ARG 56 4.612 -2.090 5.230 445 HD3 ARG 56 1HD ARG 56 5.587 -2.501 3.818 446 HE ARG 56 HE ARG 56 6.431 -1.061 6.160 447 HH11 ARG 56 1HH1 ARG 56 7.090 -1.715 2.836 448 HH12 ARG 56 2HH1 ARG 56 8.735 -1.210 2.954 449 HH21 ARG 56 1HH2 ARG 56 8.549 -0.475 6.322 450 HH22 ARG 56 2HH2 ARG 56 9.563 -0.532 4.922 451 H VAL 57 H VAL 57 0.638 0.747 1.060 452 HA VAL 57 HA VAL 57 0.360 -1.550 -0.778 453 HB VAL 57 HB VAL 57 -1.982 -0.291 0.654 454 HG11 VAL 57 1HG1 VAL 57 -3.143 -2.348 -0.037 455 HG12 VAL 57 2HG1 VAL 57 -1.682 -2.889 -0.865 456 HG13 VAL 57 3HG1 VAL 57 -2.528 -1.445 -1.421 457 HG21 VAL 57 3HG2 VAL 57 -0.479 -2.799 1.430 458 HG22 VAL 57 1HG2 VAL 57 -1.986 -2.235 2.154 459 HG23 VAL 57 2HG2 VAL 57 -0.511 -1.287 2.334 460 H ILE 58 H ILE 58 0.527 -0.802 -2.772 461 HA ILE 58 HA ILE 58 -0.772 1.751 -3.515 462 HB ILE 58 HB ILE 58 0.863 1.834 -5.401 463 HG12 ILE 58 2HG1 ILE 58 2.122 -0.511 -3.937 464 HG13 ILE 58 1HG1 ILE 58 1.421 -0.546 -5.550 465 HG21 ILE 58 1HG2 ILE 58 2.785 2.534 -4.019 466 HG22 ILE 58 2HG2 ILE 58 2.041 1.764 -2.618 467 HG23 ILE 58 3HG2 ILE 58 1.251 3.137 -3.392 468 HD11 ILE 58 3HD1 ILE 58 3.165 0.980 -6.333 469 HD12 ILE 58 1HD1 ILE 58 3.831 -0.507 -5.660 470 HD13 ILE 58 2HD1 ILE 58 3.876 0.982 -4.720 471 H ASN 59 H ASN 59 -0.898 1.603 -6.241 472 HA ASN 59 HA ASN 59 -2.937 -0.464 -6.554 473 HB2 ASN 59 2HB ASN 59 -3.573 0.699 -8.622 474 HB3 ASN 59 1HB ASN 59 -3.530 1.791 -7.246 475 HD21 ASN 59 1HD2 ASN 59 -3.317 3.589 -8.543 476 HD22 ASN 59 2HD2 ASN 59 -1.853 3.961 -9.376 477 H SER 60 H SER 60 -3.088 -1.432 -8.894 478 HA SER 60 HA SER 60 -0.960 -3.292 -9.036 479 HB2 SER 60 2HB SER 60 -2.153 -4.169 -11.038 480 HB3 SER 60 1HB SER 60 -3.218 -3.935 -9.651 481 HG SER 60 HG SER 60 -3.912 -3.119 -11.819 482 H GLN 61 H GLN 61 -1.291 -0.212 -10.484 483 HA GLN 61 HA GLN 61 0.427 -0.639 -12.743 484 HB2 GLN 61 2HB GLN 61 -0.304 1.909 -11.278 485 HB3 GLN 61 1HB GLN 61 0.542 1.840 -12.818 486 HG2 GLN 61 2HG GLN 61 -1.407 0.842 -13.871 487 HG3 GLN 61 1HG GLN 61 -2.258 0.834 -12.325 488 HE21 GLN 61 1HE2 GLN 61 -3.060 2.769 -11.507 489 HE22 GLN 61 2HE2 GLN 61 -3.152 4.209 -12.457 490 H GLY 62 H GLY 62 0.906 0.024 -9.372 491 HA2 GLY 62 2HA GLY 62 3.021 -0.075 -8.268 492 HA3 GLY 62 1HA GLY 62 3.804 0.383 -9.775 493 H LYS 63 H LYS 63 0.990 2.154 -9.160 494 HA LYS 63 HA LYS 63 2.584 4.495 -8.376 495 HB2 LYS 63 2HB LYS 63 -0.139 4.281 -9.664 496 HB3 LYS 63 1HB LYS 63 0.584 5.796 -9.152 497 HG2 LYS 63 2HG LYS 63 2.463 5.368 -10.723 498 HG3 LYS 63 1HG LYS 63 1.596 3.939 -11.299 499 HD2 LYS 63 2HD LYS 63 -0.264 5.308 -12.026 500 HD3 LYS 63 1HD LYS 63 0.477 6.749 -11.330 501 HE2 LYS 63 2HE LYS 63 2.375 6.468 -12.918 502 HE3 LYS 63 1HE LYS 63 1.503 5.125 -13.660 503 HZ1 LYS 63 3HZ LYS 63 -0.280 6.624 -14.229 504 HZ2 LYS 63 1HZ LYS 63 1.178 7.206 -14.852 505 HZ3 LYS 63 2HZ LYS 63 0.509 7.914 -13.473 506 H ILE 64 H ILE 64 1.802 5.970 -6.814 507 HA ILE 64 HA ILE 64 0.442 4.834 -4.563 508 HB ILE 64 HB ILE 64 1.182 7.720 -5.136 509 HG12 ILE 64 2HG1 ILE 64 2.597 5.597 -3.489 510 HG13 ILE 64 1HG1 ILE 64 3.132 6.221 -5.047 511 HG21 ILE 64 1HG2 ILE 64 0.919 8.073 -2.714 512 HG22 ILE 64 2HG2 ILE 64 0.331 6.419 -2.547 513 HG23 ILE 64 3HG2 ILE 64 -0.597 7.594 -3.478 514 HD11 ILE 64 3HD1 ILE 64 3.446 8.431 -4.052 515 HD12 ILE 64 1HD1 ILE 64 4.396 7.198 -3.222 516 HD13 ILE 64 2HD1 ILE 64 2.910 7.802 -2.493 517 H SER 65 H SER 65 -1.712 4.845 -4.108 518 HA SER 65 HA SER 65 -3.605 5.701 -6.055 519 HB2 SER 65 2HB SER 65 -4.096 3.808 -4.589 520 HB3 SER 65 1HB SER 65 -4.060 4.862 -3.177 521 HG SER 65 HG SER 65 -5.935 5.790 -3.801 522 H LEU 66 H LEU 66 -2.545 7.095 -2.978 523 HA LEU 66 HA LEU 66 -4.464 9.224 -3.010 524 HB2 LEU 66 2HB LEU 66 -1.884 8.928 -1.459 525 HB3 LEU 66 1HB LEU 66 -3.088 10.176 -1.180 526 HG LEU 66 HG LEU 66 -3.470 7.200 -0.773 527 HD11 LEU 66 1HD1 LEU 66 -2.102 8.258 0.950 528 HD12 LEU 66 2HD1 LEU 66 -3.675 7.778 1.585 529 HD13 LEU 66 3HD1 LEU 66 -3.356 9.471 1.212 530 HD21 LEU 66 3HD2 LEU 66 -5.539 8.197 -1.571 531 HD22 LEU 66 1HD2 LEU 66 -5.418 9.474 -0.359 532 HD23 LEU 66 2HD2 LEU 66 -5.673 7.802 0.142 533 H LYS 67 H LYS 67 -4.175 11.379 -3.563 534 HA LYS 67 HA LYS 67 -1.762 11.998 -5.153 535 HB2 LYS 67 2HB LYS 67 -3.189 13.227 -6.744 536 HB3 LYS 67 1HB LYS 67 -3.598 11.519 -6.676 537 HG2 LYS 67 2HG LYS 67 -5.472 12.134 -5.107 538 HG3 LYS 67 1HG LYS 67 -5.123 13.825 -5.480 539 HD2 LYS 67 2HD LYS 67 -5.516 13.357 -7.873 540 HD3 LYS 67 1HD LYS 67 -5.907 11.683 -7.469 541 HE2 LYS 67 2HE LYS 67 -7.958 12.903 -7.748 542 HE3 LYS 67 1HE LYS 67 -7.763 12.524 -6.039 543 HZ1 LYS 67 3HZ LYS 67 -6.956 14.780 -5.678 544 HZ2 LYS 67 1HZ LYS 67 -8.506 14.793 -6.357 545 HZ3 LYS 67 2HZ LYS 67 -7.158 15.135 -7.319 546 H GLY 68 H GLY 68 -1.399 14.350 -5.462 547 HA2 GLY 68 2HA GLY 68 -1.216 16.507 -4.648 548 HA3 GLY 68 1HA GLY 68 -2.574 16.189 -3.580 549 H ARG 69 H ARG 69 -1.784 16.908 -1.655 550 HA ARG 69 HA ARG 69 0.859 16.649 -0.729 551 HB2 ARG 69 2HB ARG 69 -1.659 16.882 0.934 552 HB3 ARG 69 1HB ARG 69 -0.026 17.270 1.459 553 HG2 ARG 69 2HG ARG 69 0.081 19.099 -0.148 554 HG3 ARG 69 1HG ARG 69 -1.531 18.689 -0.737 555 HD2 ARG 69 2HD ARG 69 -0.814 19.642 2.039 556 HD3 ARG 69 1HD ARG 69 -1.662 20.564 0.797 557 HE ARG 69 HE ARG 69 -3.256 18.425 1.094 558 HH11 ARG 69 1HH1 ARG 69 -1.875 20.605 3.375 559 HH12 ARG 69 2HH1 ARG 69 -3.147 20.374 4.523 560 HH21 ARG 69 1HH2 ARG 69 -4.869 18.138 2.581 561 HH22 ARG 69 2HH2 ARG 69 -4.819 18.999 4.081 562 H ASP 70 H ASP 70 -1.959 14.560 -0.316 563 HA ASP 70 HA ASP 70 -0.906 12.795 1.598 564 HB2 ASP 70 2HB ASP 70 -2.912 12.178 -0.590 565 HB3 ASP 70 1HB ASP 70 -2.688 11.273 0.906 566 H LEU 71 H LEU 71 -0.347 13.031 -1.836 567 HA LEU 71 HA LEU 71 0.613 10.412 -2.318 568 HB2 LEU 71 2HB LEU 71 -0.112 12.051 -4.058 569 HB3 LEU 71 1HB LEU 71 1.351 12.966 -3.765 570 HG LEU 71 HG LEU 71 1.483 10.083 -4.643 571 HD11 LEU 71 1HD1 LEU 71 1.290 12.491 -6.454 572 HD12 LEU 71 2HD1 LEU 71 0.065 11.236 -6.261 573 HD13 LEU 71 3HD1 LEU 71 1.633 10.835 -6.960 574 HD21 LEU 71 3HD2 LEU 71 3.651 10.806 -5.583 575 HD22 LEU 71 1HD2 LEU 71 3.563 11.051 -3.839 576 HD23 LEU 71 2HD2 LEU 71 3.379 12.423 -4.931 577 H ASP 72 H ASP 72 2.512 13.452 -1.953 578 HA ASP 72 HA ASP 72 4.981 12.087 -1.744 579 HB2 ASP 72 2HB ASP 72 5.900 14.260 -0.946 580 HB3 ASP 72 1HB ASP 72 4.984 14.384 -2.442 581 H ARG 73 H ARG 73 2.558 12.877 0.619 582 HA ARG 73 HA ARG 73 4.008 12.471 2.984 583 HB2 ARG 73 2HB ARG 73 1.651 13.296 2.834 584 HB3 ARG 73 1HB ARG 73 1.140 11.657 2.451 585 HG2 ARG 73 2HG ARG 73 1.999 10.898 4.637 586 HG3 ARG 73 1HG ARG 73 2.440 12.565 5.018 587 HD2 ARG 73 2HD ARG 73 -0.331 11.470 4.527 588 HD3 ARG 73 1HD ARG 73 0.324 12.081 6.048 589 HE ARG 73 HE ARG 73 0.539 14.270 4.696 590 HH11 ARG 73 1HH1 ARG 73 -2.009 11.987 4.441 591 HH12 ARG 73 2HH1 ARG 73 -3.146 13.146 3.855 592 HH21 ARG 73 1HH2 ARG 73 -0.927 15.766 3.965 593 HH22 ARG 73 2HH2 ARG 73 -2.551 15.272 3.632 594 H GLN 74 H GLN 74 2.124 10.098 1.073 595 HA GLN 74 HA GLN 74 2.930 7.810 2.518 596 HB2 GLN 74 2HB GLN 74 1.001 7.871 0.945 597 HB3 GLN 74 1HB GLN 74 2.128 7.975 -0.404 598 HG2 GLN 74 2HG GLN 74 3.009 5.784 0.114 599 HG3 GLN 74 1HG GLN 74 2.005 5.688 1.557 600 HE21 GLN 74 1HE2 GLN 74 2.096 3.869 -0.677 601 HE22 GLN 74 2HE2 GLN 74 0.505 3.830 -1.341 602 H LYS 75 H LYS 75 4.289 9.418 -0.309 603 HA LYS 75 HA LYS 75 6.369 7.738 -1.001 604 HB2 LYS 75 2HB LYS 75 5.996 9.593 -2.385 605 HB3 LYS 75 1HB LYS 75 6.027 10.722 -1.042 606 HG2 LYS 75 2HG LYS 75 8.438 10.463 -0.844 607 HG3 LYS 75 1HG LYS 75 8.431 9.275 -2.148 608 HD2 LYS 75 2HD LYS 75 7.716 10.926 -3.739 609 HD3 LYS 75 1HD LYS 75 7.443 12.112 -2.463 610 HE2 LYS 75 2HE LYS 75 9.514 12.590 -3.649 611 HE3 LYS 75 1HE LYS 75 9.848 12.139 -1.980 612 HZ1 LYS 75 3HZ LYS 75 10.054 10.290 -4.287 613 HZ2 LYS 75 1HZ LYS 75 10.505 9.970 -2.692 614 HZ3 LYS 75 2HZ LYS 75 11.357 11.106 -3.600 615 H GLN 76 H GLN 76 6.571 10.436 1.351 616 HA GLN 76 HA GLN 76 9.218 9.930 2.156 617 HB2 GLN 76 2HB GLN 76 6.970 11.329 3.619 618 HB3 GLN 76 1HB GLN 76 8.650 11.351 4.140 619 HG2 GLN 76 2HG GLN 76 7.716 12.350 1.454 620 HG3 GLN 76 1HG GLN 76 7.902 13.375 2.875 621 HE21 GLN 76 1HE2 GLN 76 9.473 14.628 1.859 622 HE22 GLN 76 2HE2 GLN 76 11.078 14.054 1.586 623 H LYS 77 H LYS 77 6.149 8.698 3.425 624 HA LYS 77 HA LYS 77 7.122 7.388 5.708 625 HB2 LYS 77 2HB LYS 77 4.836 6.676 3.860 626 HB3 LYS 77 1HB LYS 77 5.144 5.843 5.376 627 HG2 LYS 77 2HG LYS 77 4.582 8.796 5.134 628 HG3 LYS 77 1HG LYS 77 3.374 7.570 5.520 629 HD2 LYS 77 2HD LYS 77 4.662 6.954 7.531 630 HD3 LYS 77 1HD LYS 77 5.842 8.210 7.148 631 HE2 LYS 77 2HE LYS 77 4.112 9.920 7.377 632 HE3 LYS 77 1HE LYS 77 2.909 8.674 7.709 633 HZ1 LYS 77 3HZ LYS 77 4.041 8.108 9.725 634 HZ2 LYS 77 1HZ LYS 77 3.753 9.772 9.722 635 HZ3 LYS 77 2HZ LYS 77 5.303 9.182 9.390 636 H LEU 78 H LEU 78 6.858 6.239 2.360 637 HA LEU 78 HA LEU 78 7.870 3.623 2.889 638 HB2 LEU 78 2HB LEU 78 7.547 5.207 0.342 639 HB3 LEU 78 1HB LEU 78 8.098 3.542 0.373 640 HG LEU 78 HG LEU 78 5.435 4.427 1.496 641 HD11 LEU 78 1HD1 LEU 78 6.026 3.217 -1.203 642 HD12 LEU 78 2HD1 LEU 78 5.508 4.878 -0.904 643 HD13 LEU 78 3HD1 LEU 78 4.425 3.536 -0.531 644 HD21 LEU 78 3HD2 LEU 78 4.909 2.046 1.411 645 HD22 LEU 78 1HD2 LEU 78 6.326 2.339 2.416 646 HD23 LEU 78 2HD2 LEU 78 6.520 1.699 0.784 647 H GLU 79 H GLU 79 9.371 6.572 1.551 648 HA GLU 79 HA GLU 79 11.871 5.329 1.031 649 HB2 GLU 79 2HB GLU 79 11.237 8.267 1.363 650 HB3 GLU 79 1HB GLU 79 12.726 7.610 0.687 651 HG2 GLU 79 2HG GLU 79 11.305 6.483 -1.059 652 HG3 GLU 79 1HG GLU 79 9.946 7.424 -0.451 653 H ALA 80 H ALA 80 10.532 6.860 3.889 654 HA ALA 80 HA ALA 80 12.919 7.062 5.397 655 HB1 ALA 80 3HB ALA 80 10.824 8.116 6.103 656 HB2 ALA 80 1HB ALA 80 11.465 7.066 7.367 657 HB3 ALA 80 2HB ALA 80 10.111 6.526 6.376 658 H GLU 81 H GLU 81 10.967 4.361 4.479 659 HA GLU 81 HA GLU 81 12.192 2.511 6.356 660 HB2 GLU 81 2HB GLU 81 10.291 2.052 4.041 661 HB3 GLU 81 1HB GLU 81 10.799 0.816 5.184 662 HG2 GLU 81 2HG GLU 81 9.386 3.333 6.038 663 HG3 GLU 81 1HG GLU 81 8.523 1.874 5.559 664 H GLY 82 H GLY 82 13.032 3.839 3.361 665 HA2 GLY 82 2HA GLY 82 15.240 3.372 2.482 666 HA3 GLY 82 1HA GLY 82 15.014 1.688 2.914 667 H ILE 83 H ILE 83 12.344 3.274 1.389 668 HA ILE 83 HA ILE 83 12.798 1.661 -1.033 669 HB ILE 83 HB ILE 83 10.269 3.042 -0.087 670 HG12 ILE 83 2HG1 ILE 83 11.077 0.121 0.095 671 HG13 ILE 83 1HG1 ILE 83 11.024 1.248 1.445 672 HG21 ILE 83 1HG2 ILE 83 10.250 2.717 -2.494 673 HG22 ILE 83 2HG2 ILE 83 9.127 1.591 -1.731 674 HG23 ILE 83 3HG2 ILE 83 10.699 1.022 -2.298 675 HD11 ILE 83 3HD1 ILE 83 9.082 -0.185 1.438 676 HD12 ILE 83 1HD1 ILE 83 8.677 0.333 -0.198 677 HD13 ILE 83 2HD1 ILE 83 8.610 1.488 1.135 678 H GLU 84 H GLU 84 12.292 2.603 -3.166 679 HA GLU 84 HA GLU 84 12.930 5.483 -3.323 680 HB2 GLU 84 2HB GLU 84 13.078 3.371 -5.488 681 HB3 GLU 84 1HB GLU 84 13.575 5.048 -5.650 682 HG2 GLU 84 2HG GLU 84 15.383 4.717 -4.098 683 HG3 GLU 84 1HG GLU 84 14.836 3.073 -3.757 684 H VAL 85 H VAL 85 11.217 6.796 -3.675 685 HA VAL 85 HA VAL 85 9.002 5.792 -5.370 686 HB VAL 85 HB VAL 85 8.777 7.882 -3.199 687 HG11 VAL 85 1HG1 VAL 85 6.638 6.460 -4.792 688 HG12 VAL 85 2HG1 VAL 85 7.146 8.136 -5.009 689 HG13 VAL 85 3HG1 VAL 85 6.364 7.640 -3.508 690 HG21 VAL 85 3HG2 VAL 85 7.922 4.986 -3.110 691 HG22 VAL 85 1HG2 VAL 85 7.602 6.201 -1.869 692 HG23 VAL 85 2HG2 VAL 85 9.260 5.702 -2.209 693 H SER 86 H SER 86 9.099 6.736 -7.333 694 HA SER 86 HA SER 86 10.400 9.173 -7.926 695 HB2 SER 86 2HB SER 86 8.232 7.725 -9.478 696 HB3 SER 86 1HB SER 86 9.220 9.043 -10.114 697 HG SER 86 HG SER 86 10.964 7.387 -9.201 698 H GLU 87 H GLU 87 9.631 11.244 -8.274 699 HA GLU 87 HA GLU 87 8.008 12.313 -6.355 700 HB2 GLU 87 2HB GLU 87 7.958 14.380 -7.735 701 HB3 GLU 87 1HB GLU 87 9.561 13.671 -7.589 702 HG2 GLU 87 2HG GLU 87 9.342 12.696 -9.819 703 HG3 GLU 87 1HG GLU 87 7.728 13.391 -9.967 704 H ILE 88 H ILE 88 6.957 11.421 -9.638 705 HA ILE 88 HA ILE 88 4.330 12.509 -9.281 706 HB ILE 88 HB ILE 88 3.793 11.278 -11.430 707 HG12 ILE 88 2HG1 ILE 88 5.939 10.621 -12.727 708 HG13 ILE 88 1HG1 ILE 88 6.704 10.505 -11.149 709 HG21 ILE 88 1HG2 ILE 88 6.142 13.177 -11.426 710 HG22 ILE 88 2HG2 ILE 88 4.437 13.624 -11.380 711 HG23 ILE 88 3HG2 ILE 88 5.102 12.831 -12.808 712 HD11 ILE 88 3HD1 ILE 88 5.117 8.785 -10.497 713 HD12 ILE 88 1HD1 ILE 88 5.972 8.340 -11.973 714 HD13 ILE 88 2HD1 ILE 88 4.310 8.925 -12.060 715 H GLY 89 H GLY 89 5.552 10.066 -7.672 716 HA2 GLY 89 2HA GLY 89 4.417 8.658 -6.218 717 HA3 GLY 89 1HA GLY 89 2.945 8.934 -7.129 718 H LYS 90 H LYS 90 6.148 7.563 -7.989 719 HA LYS 90 HA LYS 90 4.739 5.089 -8.797 720 HB2 LYS 90 2HB LYS 90 5.307 6.527 -10.767 721 HB3 LYS 90 1HB LYS 90 7.006 6.354 -10.361 722 HG2 LYS 90 2HG LYS 90 5.342 3.904 -10.803 723 HG3 LYS 90 1HG LYS 90 5.902 4.839 -12.189 724 HD2 LYS 90 2HD LYS 90 8.214 4.534 -11.509 725 HD3 LYS 90 1HD LYS 90 7.702 3.712 -10.033 726 HE2 LYS 90 2HE LYS 90 6.750 1.896 -11.351 727 HE3 LYS 90 1HE LYS 90 7.178 2.731 -12.844 728 HZ1 LYS 90 3HZ LYS 90 9.181 1.910 -10.822 729 HZ2 LYS 90 1HZ LYS 90 9.464 2.434 -12.402 730 HZ3 LYS 90 2HZ LYS 90 8.740 0.930 -12.128 731 H ILE 91 H ILE 91 5.674 3.203 -8.278 732 HA ILE 91 HA ILE 91 8.372 3.206 -7.066 733 HB ILE 91 HB ILE 91 6.011 1.554 -6.118 734 HG12 ILE 91 2HG1 ILE 91 7.282 3.945 -4.747 735 HG13 ILE 91 1HG1 ILE 91 5.773 4.011 -5.650 736 HG21 ILE 91 1HG2 ILE 91 8.159 0.466 -5.743 737 HG22 ILE 91 2HG2 ILE 91 7.470 1.000 -4.210 738 HG23 ILE 91 3HG2 ILE 91 8.779 1.918 -4.956 739 HD11 ILE 91 3HD1 ILE 91 5.349 3.882 -3.280 740 HD12 ILE 91 1HD1 ILE 91 6.286 2.391 -3.168 741 HD13 ILE 91 2HD1 ILE 91 4.778 2.421 -4.084 742 H ALA 92 H ALA 92 9.680 1.440 -7.604 743 HA ALA 92 HA ALA 92 8.895 -0.098 -9.911 744 HB1 ALA 92 3HB ALA 92 11.154 -1.043 -9.805 745 HB2 ALA 92 1HB ALA 92 11.411 -0.254 -8.250 746 HB3 ALA 92 2HB ALA 92 11.184 0.717 -9.705 747 H LEU 93 H LEU 93 7.228 -1.493 -9.307 748 HA LEU 93 HA LEU 93 7.101 -3.108 -7.044 749 HB2 LEU 93 2HB LEU 93 6.026 -3.597 -9.824 750 HB3 LEU 93 1HB LEU 93 5.626 -4.603 -8.444 751 HG LEU 93 HG LEU 93 5.004 -1.652 -8.674 752 HD11 LEU 93 1HD1 LEU 93 3.199 -4.057 -8.944 753 HD12 LEU 93 2HD1 LEU 93 3.674 -2.957 -10.239 754 HD13 LEU 93 3HD1 LEU 93 2.671 -2.374 -8.910 755 HD21 LEU 93 3HD2 LEU 93 5.330 -2.327 -6.363 756 HD22 LEU 93 1HD2 LEU 93 4.238 -3.697 -6.584 757 HD23 LEU 93 2HD2 LEU 93 3.617 -2.048 -6.673 758 H ARG 94 H ARG 94 8.364 -4.009 -10.265 759 HA ARG 94 HA ARG 94 9.026 -6.636 -9.767 760 HB2 ARG 94 2HB ARG 94 9.090 -5.579 -11.980 761 HB3 ARG 94 1HB ARG 94 10.519 -4.667 -11.518 762 HG2 ARG 94 2HG ARG 94 11.808 -6.720 -11.336 763 HG3 ARG 94 1HG ARG 94 10.371 -7.678 -11.703 764 HD2 ARG 94 2HD ARG 94 10.250 -6.722 -13.924 765 HD3 ARG 94 1HD ARG 94 11.585 -5.629 -13.562 766 HE ARG 94 HE ARG 94 12.969 -7.700 -13.328 767 HH11 ARG 94 1HH1 ARG 94 10.140 -7.701 -15.309 768 HH12 ARG 94 2HH1 ARG 94 10.729 -8.970 -16.323 769 HH21 ARG 94 1HH2 ARG 94 13.707 -9.299 -14.642 770 HH22 ARG 94 2HH2 ARG 94 12.729 -9.865 -15.952 771 H LYS 95 H LYS 95 10.575 -3.909 -8.315 772 HA LYS 95 HA LYS 95 12.802 -5.650 -7.458 773 HB2 LYS 95 2HB LYS 95 13.548 -3.637 -8.669 774 HB3 LYS 95 1HB LYS 95 12.740 -2.623 -7.477 775 HG2 LYS 95 2HG LYS 95 14.233 -3.344 -5.745 776 HG3 LYS 95 1HG LYS 95 14.933 -4.579 -6.790 777 HD2 LYS 95 2HD LYS 95 16.445 -2.691 -6.604 778 HD3 LYS 95 1HD LYS 95 15.830 -2.808 -8.253 779 HE2 LYS 95 2HE LYS 95 14.352 -0.974 -7.920 780 HE3 LYS 95 1HE LYS 95 14.632 -0.980 -6.178 781 HZ1 LYS 95 3HZ LYS 95 15.860 0.795 -7.206 782 HZ2 LYS 95 1HZ LYS 95 16.625 -0.281 -8.266 783 HZ3 LYS 95 2HZ LYS 95 16.941 -0.357 -6.606 784 H TYR 96 H TYR 96 10.090 -3.761 -6.309 785 HA TYR 96 HA TYR 96 10.962 -4.252 -3.519 786 HB2 TYR 96 2HB TYR 96 9.364 -1.939 -4.639 787 HB3 TYR 96 1HB TYR 96 9.507 -2.269 -2.915 788 HD1 TYR 96 HD1 TYR 96 11.830 -2.243 -1.876 789 HD2 TYR 96 HD2 TYR 96 11.030 -0.719 -5.770 790 HE1 TYR 96 HE1 TYR 96 13.919 -0.952 -1.793 791 HE2 TYR 96 HE2 TYR 96 13.116 0.574 -5.696 792 HH TYR 96 HH TYR 96 14.733 1.400 -4.237 793 H LYS 97 H LYS 97 9.055 -5.668 -5.588 794 HA LYS 97 HA LYS 97 6.440 -5.497 -4.540 795 HB2 LYS 97 2HB LYS 97 7.078 -6.351 -6.807 796 HB3 LYS 97 1HB LYS 97 7.669 -7.818 -6.038 797 HG2 LYS 97 2HG LYS 97 5.422 -8.297 -5.210 798 HG3 LYS 97 1HG LYS 97 4.836 -6.807 -5.959 799 HD2 LYS 97 2HD LYS 97 5.379 -7.652 -8.162 800 HD3 LYS 97 1HD LYS 97 6.118 -9.093 -7.463 801 HE2 LYS 97 2HE LYS 97 3.199 -8.313 -7.302 802 HE3 LYS 97 1HE LYS 97 3.881 -9.589 -8.311 803 HZ1 LYS 97 3HZ LYS 97 3.950 -9.541 -5.342 804 HZ2 LYS 97 1HZ LYS 97 4.530 -10.786 -6.329 805 HZ3 LYS 97 2HZ LYS 97 2.875 -10.449 -6.271 806 H TRP 98 H TRP 98 5.424 -6.546 -2.910 807 HA TRP 98 HA TRP 98 6.925 -7.909 -0.939 808 HB2 TRP 98 2HB TRP 98 4.953 -6.685 -0.287 809 HB3 TRP 98 1HB TRP 98 3.933 -7.678 -1.324 810 HD1 TRP 98 HD1 TRP 98 6.579 -9.042 1.145 811 HE1 TRP 98 HE1 TRP 98 5.381 -10.522 2.872 812 HE3 TRP 98 HE3 TRP 98 1.747 -8.225 -0.299 813 HZ2 TRP 98 HZ2 TRP 98 2.752 -11.259 3.528 814 HZ3 TRP 98 HZ3 TRP 98 -0.057 -9.360 0.929 815 HH2 TRP 98 HH2 TRP 98 0.435 -10.848 2.810 816 H GLN 99 H GLN 99 7.939 -9.699 -1.758 817 HA GLN 99 HA GLN 99 6.234 -11.951 -2.589 818 HB2 GLN 99 2HB GLN 99 9.244 -11.640 -2.740 819 HB3 GLN 99 1HB GLN 99 8.337 -13.032 -3.311 820 HG2 GLN 99 2HG GLN 99 8.150 -10.224 -4.396 821 HG3 GLN 99 1HG GLN 99 8.980 -11.581 -5.152 822 HE21 GLN 99 1HE2 GLN 99 7.734 -13.269 -6.040 823 HE22 GLN 99 2HE2 GLN 99 6.071 -13.038 -6.446 824 HA PRO 100 HA PRO 100 7.021 -13.054 1.827 825 HB2 PRO 100 2HB PRO 100 4.814 -14.621 2.089 826 HB3 PRO 100 1HB PRO 100 4.758 -12.858 2.221 827 HG2 PRO 100 2HG PRO 100 4.121 -14.598 -0.147 828 HG3 PRO 100 1HG PRO 100 3.193 -13.237 0.517 829 HD2 PRO 100 2HD PRO 100 4.793 -12.939 -1.628 830 HD3 PRO 100 1HD PRO 100 4.610 -11.652 -0.420 831 H LEU 101 H LEU 101 7.485 -14.653 -0.982 832 HA LEU 101 HA LEU 101 8.061 -17.246 0.320 833 HB2 LEU 101 2HB LEU 101 7.442 -16.746 -2.603 834 HB3 LEU 101 1HB LEU 101 7.735 -18.305 -1.857 835 HG LEU 101 HG LEU 101 5.366 -16.503 -1.306 836 HD11 LEU 101 1HD1 LEU 101 4.065 -18.244 -2.438 837 HD12 LEU 101 2HD1 LEU 101 5.552 -19.114 -2.813 838 HD13 LEU 101 3HD1 LEU 101 5.260 -17.521 -3.514 839 HD21 LEU 101 3HD2 LEU 101 5.970 -17.755 0.684 840 HD22 LEU 101 1HD2 LEU 101 6.026 -19.255 -0.245 841 HD23 LEU 101 2HD2 LEU 101 4.493 -18.412 -0.019 842 H GLU 102 H GLU 102 10.082 -18.128 0.040 843 HA GLU 102 HA GLU 102 12.193 -16.408 -0.921 844 HB2 GLU 102 2HB GLU 102 12.102 -19.092 0.421 845 HB3 GLU 102 1HB GLU 102 13.591 -18.550 -0.339 846 HG2 GLU 102 2HG GLU 102 13.501 -18.084 2.082 847 HG3 GLU 102 1HG GLU 102 13.712 -16.640 1.098 Start of MODEL 15 1 H1 MET 1 1H MET 1 -15.309 -1.343 13.676 2 H2 MET 1 2H MET 1 -15.368 -3.032 13.728 3 H3 MET 1 3H MET 1 -16.709 -2.156 13.189 4 HA MET 1 HA MET 1 -15.537 -1.389 11.270 5 HB2 MET 1 2HB MET 1 -13.277 -2.140 10.762 6 HB3 MET 1 1HB MET 1 -13.295 -1.318 12.314 7 HG2 MET 1 2HG MET 1 -13.378 -3.563 13.410 8 HG3 MET 1 1HG MET 1 -13.136 -4.283 11.826 9 HE1 MET 1 3HE MET 1 -9.576 -2.904 10.883 10 HE2 MET 1 1HE MET 1 -11.120 -2.145 10.504 11 HE3 MET 1 2HE MET 1 -10.937 -3.893 10.353 12 H ASP 2 H ASP 2 -15.845 -2.520 9.369 13 HA ASP 2 HA ASP 2 -17.357 -4.894 9.511 14 HB2 ASP 2 2HB ASP 2 -16.008 -3.684 7.081 15 HB3 ASP 2 1HB ASP 2 -17.373 -4.799 7.075 16 H GLN 3 H GLN 3 -16.906 -7.018 8.809 17 HA GLN 3 HA GLN 3 -14.399 -8.105 9.423 18 HB2 GLN 3 2HB GLN 3 -16.526 -9.386 9.398 19 HB3 GLN 3 1HB GLN 3 -16.542 -9.291 7.644 20 HG2 GLN 3 2HG GLN 3 -15.772 -11.466 8.412 21 HG3 GLN 3 1HG GLN 3 -14.508 -10.614 7.529 22 HE21 GLN 3 1HE2 GLN 3 -12.948 -11.938 8.500 23 HE22 GLN 3 2HE2 GLN 3 -12.450 -11.707 10.141 24 H PHE 4 H PHE 4 -15.729 -6.977 6.360 25 HA PHE 4 HA PHE 4 -13.749 -7.757 4.577 26 HB2 PHE 4 2HB PHE 4 -15.669 -6.626 3.722 27 HB3 PHE 4 1HB PHE 4 -15.398 -5.227 4.753 28 HD1 PHE 4 HD1 PHE 4 -13.709 -7.134 2.013 29 HD2 PHE 4 HD2 PHE 4 -14.439 -3.339 3.815 30 HE1 PHE 4 HE1 PHE 4 -12.480 -6.031 0.191 31 HE2 PHE 4 HE2 PHE 4 -13.212 -2.234 1.989 32 HZ PHE 4 HZ PHE 4 -12.231 -3.580 0.175 33 H LEU 5 H LEU 5 -13.824 -4.848 6.621 34 HA LEU 5 HA LEU 5 -11.304 -3.823 5.917 35 HB2 LEU 5 2HB LEU 5 -12.799 -3.507 8.530 36 HB3 LEU 5 1HB LEU 5 -11.491 -2.482 7.962 37 HG LEU 5 HG LEU 5 -14.179 -2.762 6.599 38 HD11 LEU 5 1HD1 LEU 5 -14.385 -1.647 8.755 39 HD12 LEU 5 2HD1 LEU 5 -14.628 -0.512 7.428 40 HD13 LEU 5 3HD1 LEU 5 -13.100 -0.522 8.308 41 HD21 LEU 5 3HD2 LEU 5 -13.441 -0.809 5.289 42 HD22 LEU 5 1HD2 LEU 5 -12.411 -2.216 5.023 43 HD23 LEU 5 2HD2 LEU 5 -11.858 -0.902 6.062 44 H VAL 6 H VAL 6 -12.276 -5.925 8.627 45 HA VAL 6 HA VAL 6 -9.805 -6.112 9.917 46 HB VAL 6 HB VAL 6 -11.889 -8.303 9.704 47 HG11 VAL 6 1HG1 VAL 6 -10.987 -9.073 11.863 48 HG12 VAL 6 2HG1 VAL 6 -9.733 -7.835 11.773 49 HG13 VAL 6 3HG1 VAL 6 -9.775 -9.136 10.582 50 HG21 VAL 6 3HG2 VAL 6 -12.822 -7.398 11.773 51 HG22 VAL 6 1HG2 VAL 6 -12.864 -6.193 10.486 52 HG23 VAL 6 2HG2 VAL 6 -11.639 -6.090 11.750 53 H GLN 7 H GLN 7 -11.138 -8.218 7.368 54 HA GLN 7 HA GLN 7 -9.013 -10.048 7.253 55 HB2 GLN 7 2HB GLN 7 -11.038 -9.224 5.168 56 HB3 GLN 7 1HB GLN 7 -9.914 -10.558 4.943 57 HG2 GLN 7 2HG GLN 7 -11.897 -10.385 7.207 58 HG3 GLN 7 1HG GLN 7 -12.199 -11.232 5.691 59 HE21 GLN 7 1HE2 GLN 7 -10.378 -11.232 8.660 60 HE22 GLN 7 2HE2 GLN 7 -9.813 -12.860 8.539 61 H ILE 8 H ILE 8 -9.639 -7.269 5.061 62 HA ILE 8 HA ILE 8 -7.328 -7.619 3.510 63 HB ILE 8 HB ILE 8 -7.618 -5.276 2.769 64 HG12 ILE 8 2HG1 ILE 8 -9.818 -5.200 4.861 65 HG13 ILE 8 1HG1 ILE 8 -8.326 -4.270 4.893 66 HG21 ILE 8 1HG2 ILE 8 -10.153 -6.913 2.912 67 HG22 ILE 8 2HG2 ILE 8 -8.888 -7.030 1.689 68 HG23 ILE 8 3HG2 ILE 8 -9.873 -5.572 1.802 69 HD11 ILE 8 3HD1 ILE 8 -9.040 -3.107 2.840 70 HD12 ILE 8 1HD1 ILE 8 -10.148 -2.871 4.193 71 HD13 ILE 8 2HD1 ILE 8 -10.565 -3.996 2.902 72 H PHE 9 H PHE 9 -7.816 -5.554 6.391 73 HA PHE 9 HA PHE 9 -5.219 -4.428 6.395 74 HB2 PHE 9 2HB PHE 9 -7.136 -4.859 8.704 75 HB3 PHE 9 1HB PHE 9 -5.692 -3.856 8.773 76 HD1 PHE 9 HD1 PHE 9 -6.418 -3.029 5.676 77 HD2 PHE 9 HD2 PHE 9 -8.310 -2.781 9.485 78 HE1 PHE 9 HE1 PHE 9 -7.713 -1.087 4.906 79 HE2 PHE 9 HE2 PHE 9 -9.609 -0.842 8.714 80 HZ PHE 9 HZ PHE 9 -9.310 0.009 6.425 81 H ALA 10 H ALA 10 -6.545 -7.316 7.969 82 HA ALA 10 HA ALA 10 -4.346 -8.055 9.515 83 HB1 ALA 10 3HB ALA 10 -6.547 -9.125 9.684 84 HB2 ALA 10 1HB ALA 10 -5.267 -10.318 9.473 85 HB3 ALA 10 2HB ALA 10 -6.303 -9.885 8.111 86 H VAL 11 H VAL 11 -4.997 -8.623 6.084 87 HA VAL 11 HA VAL 11 -2.756 -10.324 5.614 88 HB VAL 11 HB VAL 11 -4.278 -8.595 3.643 89 HG11 VAL 11 1HG1 VAL 11 -2.429 -10.940 3.171 90 HG12 VAL 11 2HG1 VAL 11 -2.119 -9.257 2.741 91 HG13 VAL 11 3HG1 VAL 11 -3.409 -10.152 1.936 92 HG21 VAL 11 3HG2 VAL 11 -5.737 -10.180 4.807 93 HG22 VAL 11 1HG2 VAL 11 -4.655 -11.506 4.376 94 HG23 VAL 11 2HG2 VAL 11 -5.534 -10.637 3.117 95 H ILE 12 H ILE 12 -3.251 -6.835 5.461 96 HA ILE 12 HA ILE 12 -0.857 -6.105 4.172 97 HB ILE 12 HB ILE 12 -2.462 -4.524 6.197 98 HG12 ILE 12 2HG1 ILE 12 -2.582 -4.493 3.163 99 HG13 ILE 12 1HG1 ILE 12 -3.746 -5.308 4.201 100 HG21 ILE 12 1HG2 ILE 12 -0.228 -3.579 5.909 101 HG22 ILE 12 2HG2 ILE 12 -1.440 -2.536 5.164 102 HG23 ILE 12 3HG2 ILE 12 -0.438 -3.579 4.157 103 HD11 ILE 12 3HD1 ILE 12 -4.577 -3.169 3.403 104 HD12 ILE 12 1HD1 ILE 12 -3.210 -2.348 4.154 105 HD13 ILE 12 2HD1 ILE 12 -4.403 -3.175 5.158 106 H HIS 13 H HIS 13 -1.518 -6.788 7.585 107 HA HIS 13 HA HIS 13 0.837 -5.727 8.694 108 HB2 HIS 13 2HB HIS 13 -0.956 -7.980 9.597 109 HB3 HIS 13 1HB HIS 13 0.422 -7.438 10.547 110 HD2 HIS 13 HD2 HIS 13 -3.233 -6.572 9.962 111 HE1 HIS 13 HE1 HIS 13 -1.518 -3.390 12.159 112 HE2 HIS 13 HE2 HIS 13 -3.671 -4.543 11.510 113 H GLN 14 H GLN 14 0.580 -8.399 6.586 114 HA GLN 14 HA GLN 14 2.922 -9.783 7.621 115 HB2 GLN 14 2HB GLN 14 1.011 -10.316 5.373 116 HB3 GLN 14 1HB GLN 14 2.566 -11.131 5.399 117 HG2 GLN 14 2HG GLN 14 0.898 -12.554 6.369 118 HG3 GLN 14 1HG GLN 14 2.029 -12.048 7.619 119 HE21 GLN 14 1HE2 GLN 14 -1.200 -11.756 6.400 120 HE22 GLN 14 2HE2 GLN 14 -1.877 -11.011 7.802 121 H ILE 15 H ILE 15 2.546 -7.064 5.711 122 HA ILE 15 HA ILE 15 4.584 -7.612 3.749 123 HB ILE 15 HB ILE 15 3.451 -4.924 4.561 124 HG12 ILE 15 2HG1 ILE 15 2.601 -6.782 2.313 125 HG13 ILE 15 1HG1 ILE 15 1.702 -6.522 3.804 126 HG21 ILE 15 1HG2 ILE 15 4.222 -4.197 2.339 127 HG22 ILE 15 2HG2 ILE 15 4.930 -5.789 2.067 128 HG23 ILE 15 3HG2 ILE 15 5.562 -4.749 3.344 129 HD11 ILE 15 3HD1 ILE 15 2.301 -4.425 1.731 130 HD12 ILE 15 1HD1 ILE 15 1.369 -4.189 3.209 131 HD13 ILE 15 2HD1 ILE 15 0.764 -5.262 1.947 132 HA PRO 16 HA PRO 16 7.922 -6.919 6.703 133 HB2 PRO 16 2HB PRO 16 9.978 -7.340 4.960 134 HB3 PRO 16 1HB PRO 16 9.032 -8.649 5.678 135 HG2 PRO 16 2HG PRO 16 8.759 -7.381 2.975 136 HG3 PRO 16 1HG PRO 16 8.725 -9.100 3.411 137 HD2 PRO 16 2HD PRO 16 6.463 -7.700 2.951 138 HD3 PRO 16 1HD PRO 16 6.532 -9.000 4.160 139 H LYS 17 H LYS 17 9.698 -5.448 7.014 140 HA LYS 17 HA LYS 17 9.064 -2.818 6.167 141 HB2 LYS 17 2HB LYS 17 10.097 -3.452 8.375 142 HB3 LYS 17 1HB LYS 17 11.614 -3.722 7.525 143 HG2 LYS 17 2HG LYS 17 11.571 -1.357 6.779 144 HG3 LYS 17 1HG LYS 17 10.109 -1.119 7.738 145 HD2 LYS 17 2HD LYS 17 11.417 -1.838 9.755 146 HD3 LYS 17 1HD LYS 17 12.866 -1.833 8.745 147 HE2 LYS 17 2HE LYS 17 12.777 0.257 9.910 148 HE3 LYS 17 1HE LYS 17 12.394 0.569 8.216 149 HZ1 LYS 17 3HZ LYS 17 10.446 0.360 10.448 150 HZ2 LYS 17 1HZ LYS 17 10.032 0.567 8.822 151 HZ3 LYS 17 2HZ LYS 17 10.893 1.768 9.633 152 H GLY 18 H GLY 18 9.261 -2.557 3.971 153 HA2 GLY 18 2HA GLY 18 11.181 -1.361 2.709 154 HA3 GLY 18 1HA GLY 18 11.933 -2.945 2.774 155 H LYS 19 H LYS 19 9.136 -4.141 2.452 156 HA LYS 19 HA LYS 19 9.127 -3.994 -0.480 157 HB2 LYS 19 2HB LYS 19 7.853 -6.002 1.396 158 HB3 LYS 19 1HB LYS 19 7.779 -6.077 -0.360 159 HG2 LYS 19 2HG LYS 19 10.302 -6.224 1.294 160 HG3 LYS 19 1HG LYS 19 9.469 -7.593 0.554 161 HD2 LYS 19 2HD LYS 19 9.877 -6.667 -1.669 162 HD3 LYS 19 1HD LYS 19 10.646 -5.248 -0.957 163 HE2 LYS 19 2HE LYS 19 12.327 -6.802 -1.760 164 HE3 LYS 19 1HE LYS 19 12.393 -6.693 -0.002 165 HZ1 LYS 19 3HZ LYS 19 12.575 -8.970 -0.700 166 HZ2 LYS 19 1HZ LYS 19 11.133 -8.871 -1.579 167 HZ3 LYS 19 2HZ LYS 19 11.108 -8.759 0.107 168 H VAL 20 H VAL 20 7.023 -4.151 -1.595 169 HA VAL 20 HA VAL 20 4.761 -2.913 -0.182 170 HB VAL 20 HB VAL 20 4.269 -1.466 -2.108 171 HG11 VAL 20 1HG1 VAL 20 5.568 -0.518 -0.277 172 HG12 VAL 20 2HG1 VAL 20 6.070 0.179 -1.818 173 HG13 VAL 20 3HG1 VAL 20 7.065 -1.052 -1.041 174 HG21 VAL 20 3HG2 VAL 20 5.926 -1.141 -3.904 175 HG22 VAL 20 1HG2 VAL 20 5.291 -2.787 -3.886 176 HG23 VAL 20 2HG2 VAL 20 6.897 -2.453 -3.237 177 H SER 21 H SER 21 2.689 -3.286 -1.226 178 HA SER 21 HA SER 21 2.680 -5.494 -3.190 179 HB2 SER 21 2HB SER 21 0.795 -6.539 -2.028 180 HB3 SER 21 1HB SER 21 2.168 -6.394 -0.933 181 HG SER 21 HG SER 21 0.382 -5.692 0.167 182 H THR 22 H THR 22 0.388 -5.762 -4.132 183 HA THR 22 HA THR 22 -0.702 -3.080 -4.720 184 HB THR 22 HB THR 22 -1.576 -3.966 -6.802 185 HG1 THR 22 HG1 THR 22 -0.328 -6.460 -6.227 186 HG21 THR 22 3HG2 THR 22 0.520 -4.527 -7.959 187 HG22 THR 22 1HG2 THR 22 1.303 -4.800 -6.403 188 HG23 THR 22 2HG2 THR 22 0.743 -3.185 -6.837 189 H TYR 23 H TYR 23 -2.971 -2.779 -4.851 190 HA TYR 23 HA TYR 23 -4.484 -3.883 -2.800 191 HB2 TYR 23 2HB TYR 23 -5.364 -2.465 -5.321 192 HB3 TYR 23 1HB TYR 23 -6.468 -2.883 -4.010 193 HD1 TYR 23 HD2 TYR 23 -5.702 -2.096 -1.624 194 HD2 TYR 23 HD1 TYR 23 -4.338 -0.360 -5.265 195 HE1 TYR 23 HE2 TYR 23 -5.069 -0.063 -0.412 196 HE2 TYR 23 HE1 TYR 23 -3.694 1.682 -4.051 197 HH TYR 23 HH TYR 23 -3.479 1.815 -0.683 198 H GLY 24 H GLY 24 -4.238 -4.941 -6.161 199 HA2 GLY 24 2HA GLY 24 -6.346 -6.794 -6.210 200 HA3 GLY 24 1HA GLY 24 -4.873 -6.913 -7.163 201 H GLU 25 H GLU 25 -2.929 -7.308 -5.305 202 HA GLU 25 HA GLU 25 -3.114 -10.033 -4.664 203 HB2 GLU 25 2HB GLU 25 -1.270 -7.904 -3.541 204 HB3 GLU 25 1HB GLU 25 -1.044 -9.636 -3.320 205 HG2 GLU 25 2HG GLU 25 -0.715 -9.952 -5.684 206 HG3 GLU 25 1HG GLU 25 -1.115 -8.267 -6.008 207 H ILE 26 H ILE 26 -3.324 -7.200 -2.488 208 HA ILE 26 HA ILE 26 -3.736 -8.629 -0.103 209 HB ILE 26 HB ILE 26 -4.670 -5.838 -0.823 210 HG12 ILE 26 2HG1 ILE 26 -2.234 -6.142 -1.010 211 HG13 ILE 26 1HG1 ILE 26 -2.636 -5.097 0.348 212 HG21 ILE 26 1HG2 ILE 26 -4.759 -5.431 1.605 213 HG22 ILE 26 2HG2 ILE 26 -4.413 -7.136 1.895 214 HG23 ILE 26 3HG2 ILE 26 -5.914 -6.664 1.097 215 HD11 ILE 26 3HD1 ILE 26 -2.284 -6.961 1.886 216 HD12 ILE 26 1HD1 ILE 26 -0.850 -6.637 0.912 217 HD13 ILE 26 2HD1 ILE 26 -1.886 -8.010 0.523 218 H ALA 27 H ALA 27 -6.152 -7.155 -2.284 219 HA ALA 27 HA ALA 27 -8.439 -7.819 -0.815 220 HB1 ALA 27 3HB ALA 27 -8.193 -7.521 -3.812 221 HB2 ALA 27 1HB ALA 27 -8.423 -6.206 -2.659 222 HB3 ALA 27 2HB ALA 27 -9.682 -7.421 -2.872 223 H LYS 28 H LYS 28 -6.938 -9.618 -3.528 224 HA LYS 28 HA LYS 28 -8.807 -11.728 -3.547 225 HB2 LYS 28 2HB LYS 28 -5.917 -11.721 -4.448 226 HB3 LYS 28 1HB LYS 28 -7.075 -12.993 -4.808 227 HG2 LYS 28 2HG LYS 28 -8.473 -11.330 -6.007 228 HG3 LYS 28 1HG LYS 28 -7.220 -10.123 -5.721 229 HD2 LYS 28 2HD LYS 28 -6.956 -11.016 -7.947 230 HD3 LYS 28 1HD LYS 28 -5.610 -11.570 -6.949 231 HE2 LYS 28 2HE LYS 28 -6.800 -13.719 -6.610 232 HE3 LYS 28 1HE LYS 28 -8.073 -13.155 -7.690 233 HZ1 LYS 28 3HZ LYS 28 -6.349 -12.944 -9.438 234 HZ2 LYS 28 1HZ LYS 28 -6.587 -14.531 -8.909 235 HZ3 LYS 28 2HZ LYS 28 -5.235 -13.664 -8.389 236 H MET 29 H MET 29 -5.676 -11.426 -1.865 237 HA MET 29 HA MET 29 -5.769 -14.045 -0.741 238 HB2 MET 29 2HB MET 29 -4.182 -11.596 0.048 239 HB3 MET 29 1HB MET 29 -3.989 -13.165 0.815 240 HG2 MET 29 2HG MET 29 -3.409 -14.125 -1.400 241 HG3 MET 29 1HG MET 29 -3.475 -12.501 -2.080 242 HE1 MET 29 3HE MET 29 -2.226 -10.731 0.248 243 HE2 MET 29 1HE MET 29 -1.775 -10.555 -1.448 244 HE3 MET 29 2HE MET 29 -0.524 -10.715 -0.214 245 H ALA 30 H ALA 30 -7.161 -10.998 0.212 246 HA ALA 30 HA ALA 30 -7.889 -11.866 2.869 247 HB1 ALA 30 3HB ALA 30 -9.227 -9.814 2.940 248 HB2 ALA 30 1HB ALA 30 -8.910 -9.547 1.223 249 HB3 ALA 30 2HB ALA 30 -7.584 -9.495 2.385 250 H GLY 31 H GLY 31 -9.185 -12.246 -0.302 251 HA2 GLY 31 2HA GLY 31 -10.783 -13.972 -0.740 252 HA3 GLY 31 1HA GLY 31 -11.494 -13.683 0.837 253 H TYR 32 H TYR 32 -10.761 -10.879 -1.017 254 HA TYR 32 HA TYR 32 -13.591 -10.629 -1.826 255 HB2 TYR 32 2HB TYR 32 -11.866 -8.434 -0.652 256 HB3 TYR 32 1HB TYR 32 -13.538 -8.265 -1.172 257 HD1 TYR 32 HD2 TYR 32 -11.310 -9.634 1.403 258 HD2 TYR 32 HD1 TYR 32 -15.361 -9.106 0.200 259 HE1 TYR 32 HE2 TYR 32 -12.054 -10.233 3.665 260 HE2 TYR 32 HE1 TYR 32 -16.115 -9.705 2.462 261 HH TYR 32 HH TYR 32 -13.994 -9.888 5.116 262 HA PRO 33 HA PRO 33 -11.087 -9.759 -5.621 263 HB2 PRO 33 2HB PRO 33 -12.891 -10.801 -7.366 264 HB3 PRO 33 1HB PRO 33 -11.707 -11.795 -6.509 265 HG2 PRO 33 2HG PRO 33 -14.605 -11.333 -5.879 266 HG3 PRO 33 1HG PRO 33 -13.683 -12.848 -5.852 267 HD2 PRO 33 2HD PRO 33 -14.247 -11.437 -3.602 268 HD3 PRO 33 1HD PRO 33 -12.772 -12.408 -3.778 269 H GLY 34 H GLY 34 -11.276 -7.971 -6.944 270 HA2 GLY 34 2HA GLY 34 -12.277 -6.182 -8.042 271 HA3 GLY 34 1HA GLY 34 -13.844 -6.751 -7.497 272 H TYR 35 H TYR 35 -13.199 -6.747 -4.667 273 HA TYR 35 HA TYR 35 -13.947 -4.104 -4.026 274 HB2 TYR 35 2HB TYR 35 -12.881 -6.306 -2.244 275 HB3 TYR 35 1HB TYR 35 -13.591 -4.808 -1.655 276 HD1 TYR 35 HD1 TYR 35 -14.286 -8.016 -3.323 277 HD2 TYR 35 HD2 TYR 35 -15.988 -4.467 -1.700 278 HE1 TYR 35 HE1 TYR 35 -16.507 -9.066 -3.369 279 HE2 TYR 35 HE2 TYR 35 -18.213 -5.511 -1.741 280 HH TYR 35 HH TYR 35 -19.394 -7.316 -2.889 281 H ALA 36 H ALA 36 -10.927 -5.117 -4.945 282 HA ALA 36 HA ALA 36 -9.058 -4.088 -3.235 283 HB1 ALA 36 3HB ALA 36 -7.618 -3.775 -5.187 284 HB2 ALA 36 1HB ALA 36 -9.022 -3.913 -6.247 285 HB3 ALA 36 2HB ALA 36 -8.508 -5.294 -5.277 286 H ARG 37 H ARG 37 -10.893 -2.231 -5.663 287 HA ARG 37 HA ARG 37 -9.713 0.264 -5.251 288 HB2 ARG 37 2HB ARG 37 -11.848 1.205 -6.147 289 HB3 ARG 37 1HB ARG 37 -11.149 -0.071 -7.133 290 HG2 ARG 37 2HG ARG 37 -12.754 -1.677 -6.187 291 HG3 ARG 37 1HG ARG 37 -13.470 -0.382 -5.226 292 HD2 ARG 37 2HD ARG 37 -14.764 -0.838 -7.264 293 HD3 ARG 37 1HD ARG 37 -14.112 0.802 -7.254 294 HE ARG 37 HE ARG 37 -12.357 -0.969 -8.601 295 HH11 ARG 37 1HH1 ARG 37 -15.390 0.599 -9.022 296 HH12 ARG 37 2HH1 ARG 37 -15.193 0.754 -10.732 297 HH21 ARG 37 1HH2 ARG 37 -12.125 -0.783 -10.789 298 HH22 ARG 37 2HH2 ARG 37 -13.371 -0.028 -11.718 299 H HIS 38 H HIS 38 -12.290 -1.314 -3.403 300 HA HIS 38 HA HIS 38 -12.877 0.976 -1.779 301 HB2 HIS 38 2HB HIS 38 -13.466 -1.962 -1.337 302 HB3 HIS 38 1HB HIS 38 -14.074 -0.660 -0.318 303 HD2 HIS 38 HD2 HIS 38 -14.703 -2.263 -3.786 304 HE1 HIS 38 HE1 HIS 38 -17.663 0.673 -3.078 305 HE2 HIS 38 HE2 HIS 38 -17.043 -1.363 -4.446 306 H VAL 39 H VAL 39 -10.695 -1.774 -1.529 307 HA VAL 39 HA VAL 39 -9.769 -1.426 1.091 308 HB VAL 39 HB VAL 39 -8.122 -2.283 -1.309 309 HG11 VAL 39 1HG1 VAL 39 -7.692 -2.794 1.642 310 HG12 VAL 39 2HG1 VAL 39 -6.737 -1.715 0.625 311 HG13 VAL 39 3HG1 VAL 39 -6.716 -3.453 0.328 312 HG21 VAL 39 3HG2 VAL 39 -9.723 -3.980 0.616 313 HG22 VAL 39 1HG2 VAL 39 -8.709 -4.572 -0.700 314 HG23 VAL 39 2HG2 VAL 39 -10.159 -3.635 -1.058 315 H GLY 40 H GLY 40 -8.609 0.048 -1.946 316 HA2 GLY 40 2HA GLY 40 -6.588 1.669 -0.860 317 HA3 GLY 40 1HA GLY 40 -7.461 2.004 -2.346 318 H LYS 41 H LYS 41 -10.015 2.429 -1.426 319 HA LYS 41 HA LYS 41 -9.907 5.078 -0.443 320 HB2 LYS 41 2HB LYS 41 -12.243 3.153 -0.581 321 HB3 LYS 41 1HB LYS 41 -12.374 4.888 -0.303 322 HG2 LYS 41 2HG LYS 41 -11.459 5.358 -2.487 323 HG3 LYS 41 1HG LYS 41 -11.165 3.643 -2.769 324 HD2 LYS 41 2HD LYS 41 -13.165 4.393 -3.945 325 HD3 LYS 41 1HD LYS 41 -13.574 3.209 -2.705 326 HE2 LYS 41 2HE LYS 41 -14.383 4.941 -1.243 327 HE3 LYS 41 1HE LYS 41 -13.792 6.198 -2.332 328 HZ1 LYS 41 3HZ LYS 41 -15.920 4.230 -2.985 329 HZ2 LYS 41 1HZ LYS 41 -15.360 5.465 -3.995 330 HZ3 LYS 41 2HZ LYS 41 -16.174 5.851 -2.569 331 H ALA 42 H ALA 42 -10.255 1.985 1.167 332 HA ALA 42 HA ALA 42 -10.964 3.004 3.738 333 HB1 ALA 42 3HB ALA 42 -11.359 0.671 3.117 334 HB2 ALA 42 1HB ALA 42 -10.357 0.777 4.563 335 HB3 ALA 42 2HB ALA 42 -9.623 0.394 3.005 336 H LEU 43 H LEU 43 -7.848 1.968 2.316 337 HA LEU 43 HA LEU 43 -6.257 2.602 4.563 338 HB2 LEU 43 2HB LEU 43 -5.489 2.477 1.640 339 HB3 LEU 43 1HB LEU 43 -4.348 2.565 2.967 340 HG LEU 43 HG LEU 43 -6.201 0.278 2.286 341 HD11 LEU 43 1HD1 LEU 43 -4.109 0.422 1.007 342 HD12 LEU 43 2HD1 LEU 43 -4.139 -0.987 2.065 343 HD13 LEU 43 3HD1 LEU 43 -3.194 0.434 2.513 344 HD21 LEU 43 3HD2 LEU 43 -6.186 0.618 4.726 345 HD22 LEU 43 1HD2 LEU 43 -4.424 0.542 4.717 346 HD23 LEU 43 2HD2 LEU 43 -5.371 -0.873 4.259 347 H GLY 44 H GLY 44 -7.166 4.511 1.715 348 HA2 GLY 44 2HA GLY 44 -5.628 6.808 2.312 349 HA3 GLY 44 1HA GLY 44 -7.066 6.773 1.305 350 H ASN 45 H ASN 45 -8.386 5.548 3.874 351 HA ASN 45 HA ASN 45 -9.290 8.097 4.942 352 HB2 ASN 45 2HB ASN 45 -10.855 6.206 4.387 353 HB3 ASN 45 1HB ASN 45 -10.148 5.297 5.717 354 HD21 ASN 45 1HD2 ASN 45 -12.057 5.194 6.865 355 HD22 ASN 45 2HD2 ASN 45 -12.763 6.574 7.629 356 H LEU 46 H LEU 46 -6.955 5.746 5.713 357 HA LEU 46 HA LEU 46 -7.010 6.031 8.575 358 HB2 LEU 46 2HB LEU 46 -4.992 4.795 6.701 359 HB3 LEU 46 1HB LEU 46 -4.841 4.766 8.448 360 HG LEU 46 HG LEU 46 -7.117 3.507 6.894 361 HD11 LEU 46 1HD1 LEU 46 -6.098 1.370 7.461 362 HD12 LEU 46 2HD1 LEU 46 -4.754 2.195 8.247 363 HD13 LEU 46 3HD1 LEU 46 -4.985 2.347 6.505 364 HD21 LEU 46 3HD2 LEU 46 -7.785 4.216 9.128 365 HD22 LEU 46 1HD2 LEU 46 -6.390 3.389 9.827 366 HD23 LEU 46 2HD2 LEU 46 -7.673 2.458 9.049 367 HA PRO 47 HA PRO 47 -4.306 9.583 8.890 368 HB2 PRO 47 2HB PRO 47 -3.449 9.316 11.426 369 HB3 PRO 47 1HB PRO 47 -5.133 9.713 11.056 370 HG2 PRO 47 2HG PRO 47 -3.928 7.049 11.752 371 HG3 PRO 47 1HG PRO 47 -5.414 7.797 12.371 372 HD2 PRO 47 2HD PRO 47 -5.410 5.921 10.391 373 HD3 PRO 47 1HD PRO 47 -6.640 7.197 10.512 374 H GLU 48 H GLU 48 -2.031 10.174 9.308 375 HA GLU 48 HA GLU 48 -0.233 8.107 8.349 376 HB2 GLU 48 2HB GLU 48 1.438 9.955 8.264 377 HB3 GLU 48 1HB GLU 48 -0.025 10.269 7.347 378 HG2 GLU 48 2HG GLU 48 -0.850 11.646 9.259 379 HG3 GLU 48 1HG GLU 48 0.724 11.433 10.024 380 H GLY 49 H GLY 49 -1.328 7.990 11.146 381 HA2 GLY 49 2HA GLY 49 1.262 7.487 12.454 382 HA3 GLY 49 1HA GLY 49 0.065 8.455 13.296 383 H SER 50 H SER 50 -1.147 5.867 11.341 384 HA SER 50 HA SER 50 -2.163 4.495 13.674 385 HB2 SER 50 2HB SER 50 -3.251 3.011 11.973 386 HB3 SER 50 1HB SER 50 -3.622 4.719 11.751 387 HG SER 50 HG SER 50 -2.854 3.255 9.878 388 H LYS 51 H LYS 51 -1.858 2.215 14.105 389 HA LYS 51 HA LYS 51 0.863 1.374 13.965 390 HB2 LYS 51 2HB LYS 51 -0.860 0.826 15.777 391 HB3 LYS 51 1HB LYS 51 -1.489 -0.386 14.672 392 HG2 LYS 51 2HG LYS 51 0.710 -1.499 14.659 393 HG3 LYS 51 1HG LYS 51 1.307 -0.294 15.801 394 HD2 LYS 51 2HD LYS 51 0.726 -2.176 17.111 395 HD3 LYS 51 1HD LYS 51 -0.581 -1.015 17.346 396 HE2 LYS 51 2HE LYS 51 -1.624 -3.120 17.034 397 HE3 LYS 51 1HE LYS 51 -1.827 -2.256 15.510 398 HZ1 LYS 51 3HZ LYS 51 0.099 -3.483 14.642 399 HZ2 LYS 51 1HZ LYS 51 -1.155 -4.519 15.104 400 HZ3 LYS 51 2HZ LYS 51 0.198 -4.343 16.094 401 H LEU 52 H LEU 52 -1.847 0.894 11.913 402 HA LEU 52 HA LEU 52 -0.739 -1.405 10.522 403 HB2 LEU 52 2HB LEU 52 -3.125 -1.334 10.764 404 HB3 LEU 52 1HB LEU 52 -3.202 0.287 10.098 405 HG LEU 52 HG LEU 52 -2.429 -0.648 7.898 406 HD11 LEU 52 1HD1 LEU 52 -1.358 -2.679 8.719 407 HD12 LEU 52 2HD1 LEU 52 -2.593 -3.047 7.518 408 HD13 LEU 52 3HD1 LEU 52 -2.924 -3.309 9.231 409 HD21 LEU 52 3HD2 LEU 52 -4.598 -1.616 7.309 410 HD22 LEU 52 1HD2 LEU 52 -4.775 -0.173 8.307 411 HD23 LEU 52 2HD2 LEU 52 -4.994 -1.772 9.022 412 HA PRO 53 HA PRO 53 1.443 1.454 7.760 413 HB2 PRO 53 2HB PRO 53 2.889 -0.403 6.419 414 HB3 PRO 53 1HB PRO 53 3.320 0.134 8.047 415 HG2 PRO 53 2HG PRO 53 1.879 -2.350 7.188 416 HG3 PRO 53 1HG PRO 53 3.138 -2.157 8.422 417 HD2 PRO 53 2HD PRO 53 0.464 -2.330 8.999 418 HD3 PRO 53 1HD PRO 53 1.630 -1.470 10.022 419 H TRP 54 H TRP 54 -0.383 2.101 6.576 420 HA TRP 54 HA TRP 54 -1.529 0.369 4.561 421 HB2 TRP 54 2HB TRP 54 -2.942 2.386 4.040 422 HB3 TRP 54 1HB TRP 54 -3.060 1.808 5.696 423 HD1 TRP 54 HD1 TRP 54 -2.159 3.416 7.628 424 HE1 TRP 54 HE1 TRP 54 -1.558 5.916 7.666 425 HE3 TRP 54 HE3 TRP 54 -1.914 4.268 2.589 426 HZ2 TRP 54 HZ2 TRP 54 -1.037 7.974 5.808 427 HZ3 TRP 54 HZ3 TRP 54 -1.356 6.533 1.803 428 HH2 TRP 54 HH2 TRP 54 -0.929 8.346 3.380 429 H PHE 55 H PHE 55 0.848 2.870 4.690 430 HA PHE 55 HA PHE 55 0.818 3.751 2.029 431 HB2 PHE 55 2HB PHE 55 3.188 4.486 2.516 432 HB3 PHE 55 1HB PHE 55 1.965 5.063 3.642 433 HD1 PHE 55 HD1 PHE 55 4.850 2.835 3.219 434 HD2 PHE 55 HD2 PHE 55 1.908 4.288 5.934 435 HE1 PHE 55 HE1 PHE 55 6.151 1.939 5.104 436 HE2 PHE 55 HE2 PHE 55 3.206 3.394 7.821 437 HZ PHE 55 HZ PHE 55 5.332 2.220 7.407 438 H ARG 56 H ARG 56 1.755 0.691 3.183 439 HA ARG 56 HA ARG 56 3.773 0.221 1.147 440 HB2 ARG 56 2HB ARG 56 2.583 -1.585 3.257 441 HB3 ARG 56 1HB ARG 56 3.803 -2.107 2.102 442 HG2 ARG 56 2HG ARG 56 5.259 -0.243 2.967 443 HG3 ARG 56 1HG ARG 56 4.079 -0.034 4.264 444 HD2 ARG 56 2HD ARG 56 4.467 -2.269 5.059 445 HD3 ARG 56 1HD ARG 56 5.473 -2.647 3.658 446 HE ARG 56 HE ARG 56 6.275 -1.292 6.045 447 HH11 ARG 56 1HH1 ARG 56 6.938 -1.706 2.681 448 HH12 ARG 56 2HH1 ARG 56 8.540 -1.075 2.812 449 HH21 ARG 56 1HH2 ARG 56 8.344 -0.522 6.210 450 HH22 ARG 56 2HH2 ARG 56 9.335 -0.437 4.797 451 H VAL 57 H VAL 57 0.376 -0.014 1.273 452 HA VAL 57 HA VAL 57 0.338 -2.048 -0.861 453 HB VAL 57 HB VAL 57 -2.041 -0.912 0.624 454 HG11 VAL 57 1HG1 VAL 57 -1.744 -3.344 -1.148 455 HG12 VAL 57 2HG1 VAL 57 -2.588 -1.850 -1.555 456 HG13 VAL 57 3HG1 VAL 57 -3.206 -2.888 -0.271 457 HG21 VAL 57 3HG2 VAL 57 -0.590 -2.063 2.203 458 HG22 VAL 57 1HG2 VAL 57 -0.525 -3.475 1.146 459 HG23 VAL 57 2HG2 VAL 57 -2.048 -3.012 1.908 460 H ILE 58 H ILE 58 0.775 -1.006 -2.733 461 HA ILE 58 HA ILE 58 -0.650 1.497 -3.337 462 HB ILE 58 HB ILE 58 1.014 1.874 -5.095 463 HG12 ILE 58 2HG1 ILE 58 2.370 -0.645 -4.073 464 HG13 ILE 58 1HG1 ILE 58 1.494 -0.525 -5.597 465 HG21 ILE 58 1HG2 ILE 58 2.928 2.333 -3.646 466 HG22 ILE 58 2HG2 ILE 58 2.266 1.259 -2.414 467 HG23 ILE 58 3HG2 ILE 58 1.412 2.742 -2.841 468 HD11 ILE 58 3HD1 ILE 58 3.095 1.111 -6.411 469 HD12 ILE 58 1HD1 ILE 58 3.902 -0.378 -5.917 470 HD13 ILE 58 2HD1 ILE 58 3.961 1.042 -4.874 471 H ASN 59 H ASN 59 -0.515 1.542 -6.069 472 HA ASN 59 HA ASN 59 -2.653 -0.334 -6.703 473 HB2 ASN 59 2HB ASN 59 -2.984 1.104 -8.707 474 HB3 ASN 59 1HB ASN 59 -3.084 1.989 -7.189 475 HD21 ASN 59 1HD2 ASN 59 -2.460 3.979 -7.809 476 HD22 ASN 59 2HD2 ASN 59 -0.937 4.353 -8.523 477 H SER 60 H SER 60 -2.722 -1.474 -8.769 478 HA SER 60 HA SER 60 -0.376 -2.967 -9.299 479 HB2 SER 60 2HB SER 60 -1.676 -3.964 -11.159 480 HB3 SER 60 1HB SER 60 -2.599 -3.909 -9.658 481 HG SER 60 HG SER 60 -3.989 -3.106 -11.105 482 H GLN 61 H GLN 61 -1.029 0.133 -10.213 483 HA GLN 61 HA GLN 61 0.074 0.048 -12.895 484 HB2 GLN 61 2HB GLN 61 -0.692 2.430 -11.185 485 HB3 GLN 61 1HB GLN 61 -0.352 2.456 -12.910 486 HG2 GLN 61 2HG GLN 61 -2.311 1.107 -13.356 487 HG3 GLN 61 1HG GLN 61 -2.625 0.947 -11.629 488 HE21 GLN 61 1HE2 GLN 61 -1.541 3.917 -13.123 489 HE22 GLN 61 2HE2 GLN 61 -3.010 4.787 -12.885 490 H GLY 62 H GLY 62 1.448 -0.068 -9.886 491 HA2 GLY 62 2HA GLY 62 3.634 0.168 -9.184 492 HA3 GLY 62 1HA GLY 62 4.069 0.579 -10.834 493 H LYS 63 H LYS 63 1.672 2.299 -8.956 494 HA LYS 63 HA LYS 63 3.514 4.569 -8.598 495 HB2 LYS 63 2HB LYS 63 0.743 4.655 -9.812 496 HB3 LYS 63 1HB LYS 63 1.563 6.085 -9.200 497 HG2 LYS 63 2HG LYS 63 3.366 5.757 -10.821 498 HG3 LYS 63 1HG LYS 63 2.561 4.309 -11.429 499 HD2 LYS 63 2HD LYS 63 0.648 5.641 -12.144 500 HD3 LYS 63 1HD LYS 63 1.384 7.094 -11.465 501 HE2 LYS 63 2HE LYS 63 1.693 7.022 -13.880 502 HE3 LYS 63 1HE LYS 63 3.245 6.894 -13.054 503 HZ1 LYS 63 3HZ LYS 63 3.273 4.543 -13.454 504 HZ2 LYS 63 1HZ LYS 63 2.997 5.337 -14.922 505 HZ3 LYS 63 2HZ LYS 63 1.717 4.584 -14.120 506 H ILE 64 H ILE 64 2.388 6.304 -7.189 507 HA ILE 64 HA ILE 64 1.842 5.155 -4.665 508 HB ILE 64 HB ILE 64 1.630 7.985 -5.694 509 HG12 ILE 64 2HG1 ILE 64 3.631 6.532 -3.940 510 HG13 ILE 64 1HG1 ILE 64 3.894 7.111 -5.582 511 HG21 ILE 64 1HG2 ILE 64 1.423 8.744 -3.381 512 HG22 ILE 64 2HG2 ILE 64 1.323 7.072 -2.834 513 HG23 ILE 64 3HG2 ILE 64 0.046 7.745 -3.846 514 HD11 ILE 64 3HD1 ILE 64 4.962 8.540 -3.934 515 HD12 ILE 64 1HD1 ILE 64 3.405 8.836 -3.165 516 HD13 ILE 64 2HD1 ILE 64 3.702 9.411 -4.807 517 H SER 65 H SER 65 -0.034 5.146 -3.405 518 HA SER 65 HA SER 65 -2.414 4.446 -4.807 519 HB2 SER 65 2HB SER 65 -2.110 4.972 -1.837 520 HB3 SER 65 1HB SER 65 -3.357 4.003 -2.620 521 HG SER 65 HG SER 65 -2.009 2.437 -2.184 522 H LEU 66 H LEU 66 -1.564 7.192 -2.715 523 HA LEU 66 HA LEU 66 -4.139 8.473 -3.354 524 HB2 LEU 66 2HB LEU 66 -2.147 9.107 -1.172 525 HB3 LEU 66 1HB LEU 66 -3.699 9.895 -1.401 526 HG LEU 66 HG LEU 66 -3.303 6.975 -0.706 527 HD11 LEU 66 1HD1 LEU 66 -2.714 8.429 1.150 528 HD12 LEU 66 2HD1 LEU 66 -4.227 7.585 1.478 529 HD13 LEU 66 3HD1 LEU 66 -4.249 9.282 0.994 530 HD21 LEU 66 3HD2 LEU 66 -5.728 6.926 -0.385 531 HD22 LEU 66 1HD2 LEU 66 -5.318 7.345 -2.049 532 HD23 LEU 66 2HD2 LEU 66 -5.843 8.601 -0.927 533 H LYS 67 H LYS 67 -4.168 10.797 -3.755 534 HA LYS 67 HA LYS 67 -1.711 11.755 -5.094 535 HB2 LYS 67 2HB LYS 67 -4.573 12.293 -5.936 536 HB3 LYS 67 1HB LYS 67 -3.125 12.869 -6.754 537 HG2 LYS 67 2HG LYS 67 -2.485 10.546 -7.246 538 HG3 LYS 67 1HG LYS 67 -3.948 9.980 -6.444 539 HD2 LYS 67 2HD LYS 67 -4.326 9.975 -8.818 540 HD3 LYS 67 1HD LYS 67 -5.294 11.264 -8.102 541 HE2 LYS 67 2HE LYS 67 -3.636 12.918 -8.795 542 HE3 LYS 67 1HE LYS 67 -2.619 11.639 -9.460 543 HZ1 LYS 67 3HZ LYS 67 -5.349 12.335 -10.403 544 HZ2 LYS 67 1HZ LYS 67 -4.365 11.119 -11.049 545 HZ3 LYS 67 2HZ LYS 67 -3.908 12.740 -11.178 546 H GLY 68 H GLY 68 -1.612 14.179 -5.331 547 HA2 GLY 68 2HA GLY 68 -1.745 16.322 -4.452 548 HA3 GLY 68 1HA GLY 68 -3.097 15.797 -3.464 549 H ARG 69 H ARG 69 -2.493 16.592 -1.479 550 HA ARG 69 HA ARG 69 0.136 16.527 -0.420 551 HB2 ARG 69 2HB ARG 69 -2.518 16.657 1.036 552 HB3 ARG 69 1HB ARG 69 -0.950 16.972 1.769 553 HG2 ARG 69 2HG ARG 69 -0.638 18.864 0.201 554 HG3 ARG 69 1HG ARG 69 -2.261 18.574 -0.429 555 HD2 ARG 69 2HD ARG 69 -2.278 20.375 1.217 556 HD3 ARG 69 1HD ARG 69 -3.196 18.986 1.802 557 HE ARG 69 HE ARG 69 -0.558 18.781 2.740 558 HH11 ARG 69 1HH1 ARG 69 -3.367 20.723 3.205 559 HH12 ARG 69 2HH1 ARG 69 -2.931 21.146 4.826 560 HH21 ARG 69 1HH2 ARG 69 -0.032 19.304 4.818 561 HH22 ARG 69 2HH2 ARG 69 -1.070 20.349 5.731 562 H ASP 70 H ASP 70 -2.550 14.270 -0.266 563 HA ASP 70 HA ASP 70 -1.550 12.466 1.637 564 HB2 ASP 70 2HB ASP 70 -3.319 11.948 -0.768 565 HB3 ASP 70 1HB ASP 70 -3.087 10.832 0.575 566 H LEU 71 H LEU 71 -0.751 12.952 -1.719 567 HA LEU 71 HA LEU 71 0.556 10.486 -2.221 568 HB2 LEU 71 2HB LEU 71 -0.247 12.037 -3.972 569 HB3 LEU 71 1HB LEU 71 0.978 13.195 -3.506 570 HG LEU 71 HG LEU 71 1.890 10.473 -4.357 571 HD11 LEU 71 1HD1 LEU 71 0.980 12.605 -6.295 572 HD12 LEU 71 2HD1 LEU 71 0.221 11.031 -6.047 573 HD13 LEU 71 3HD1 LEU 71 1.850 11.128 -6.714 574 HD21 LEU 71 3HD2 LEU 71 3.522 12.117 -3.584 575 HD22 LEU 71 1HD2 LEU 71 2.964 13.266 -4.803 576 HD23 LEU 71 2HD2 LEU 71 3.752 11.765 -5.295 577 H ASP 72 H ASP 72 1.826 13.696 -1.262 578 HA ASP 72 HA ASP 72 4.508 12.859 -0.949 579 HB2 ASP 72 2HB ASP 72 2.979 15.181 0.231 580 HB3 ASP 72 1HB ASP 72 4.704 14.935 0.498 581 H ARG 73 H ARG 73 1.764 12.864 1.272 582 HA ARG 73 HA ARG 73 3.050 12.148 3.643 583 HB2 ARG 73 2HB ARG 73 0.667 12.698 3.561 584 HB3 ARG 73 1HB ARG 73 0.345 11.264 2.593 585 HG2 ARG 73 2HG ARG 73 1.142 9.880 4.524 586 HG3 ARG 73 1HG ARG 73 1.223 11.363 5.478 587 HD2 ARG 73 2HD ARG 73 -1.266 10.337 4.106 588 HD3 ARG 73 1HD ARG 73 -0.874 10.048 5.799 589 HE ARG 73 HE ARG 73 -0.894 12.592 5.960 590 HH11 ARG 73 1HH1 ARG 73 -2.832 10.830 3.733 591 HH12 ARG 73 2HH1 ARG 73 -4.101 11.999 3.729 592 HH21 ARG 73 1HH2 ARG 73 -2.565 14.077 5.986 593 HH22 ARG 73 2HH2 ARG 73 -3.960 13.804 4.998 594 H GLN 74 H GLN 74 1.729 10.011 1.098 595 HA GLN 74 HA GLN 74 2.679 7.601 2.252 596 HB2 GLN 74 2HB GLN 74 0.831 7.609 0.666 597 HB3 GLN 74 1HB GLN 74 1.880 8.230 -0.600 598 HG2 GLN 74 2HG GLN 74 3.001 6.192 -0.843 599 HG3 GLN 74 1HG GLN 74 2.449 5.597 0.723 600 HE21 GLN 74 1HE2 GLN 74 1.703 3.689 -0.328 601 HE22 GLN 74 2HE2 GLN 74 0.219 3.687 -1.214 602 H LYS 75 H LYS 75 4.102 9.854 -0.091 603 HA LYS 75 HA LYS 75 6.407 8.462 -0.822 604 HB2 LYS 75 2HB LYS 75 5.885 11.396 -0.382 605 HB3 LYS 75 1HB LYS 75 7.485 10.827 -0.829 606 HG2 LYS 75 2HG LYS 75 6.691 9.990 -2.914 607 HG3 LYS 75 1HG LYS 75 5.012 10.274 -2.454 608 HD2 LYS 75 2HD LYS 75 5.881 12.012 -3.987 609 HD3 LYS 75 1HD LYS 75 5.373 12.666 -2.433 610 HE2 LYS 75 2HE LYS 75 7.777 12.585 -1.708 611 HE3 LYS 75 1HE LYS 75 8.198 12.152 -3.366 612 HZ1 LYS 75 3HZ LYS 75 7.176 14.240 -4.103 613 HZ2 LYS 75 1HZ LYS 75 8.445 14.513 -3.021 614 HZ3 LYS 75 2HZ LYS 75 6.844 14.647 -2.496 615 H GLN 76 H GLN 76 6.157 10.840 1.824 616 HA GLN 76 HA GLN 76 8.724 10.562 2.842 617 HB2 GLN 76 2HB GLN 76 6.167 11.319 4.273 618 HB3 GLN 76 1HB GLN 76 7.782 11.574 4.923 619 HG2 GLN 76 2HG GLN 76 8.318 13.131 3.193 620 HG3 GLN 76 1HG GLN 76 6.852 12.731 2.303 621 HE21 GLN 76 1HE2 GLN 76 6.181 14.869 2.281 622 HE22 GLN 76 2HE2 GLN 76 5.567 15.660 3.691 623 H LYS 77 H LYS 77 5.814 8.717 3.665 624 HA LYS 77 HA LYS 77 6.883 7.195 5.776 625 HB2 LYS 77 2HB LYS 77 4.737 6.548 3.745 626 HB3 LYS 77 1HB LYS 77 5.118 5.501 5.105 627 HG2 LYS 77 2HG LYS 77 4.180 8.357 5.322 628 HG3 LYS 77 1HG LYS 77 3.168 6.923 5.526 629 HD2 LYS 77 2HD LYS 77 4.647 6.211 7.399 630 HD3 LYS 77 1HD LYS 77 5.533 7.728 7.235 631 HE2 LYS 77 2HE LYS 77 3.473 8.971 7.714 632 HE3 LYS 77 1HE LYS 77 2.598 7.453 7.891 633 HZ1 LYS 77 3HZ LYS 77 4.819 8.431 9.596 634 HZ2 LYS 77 1HZ LYS 77 4.121 6.895 9.729 635 HZ3 LYS 77 2HZ LYS 77 3.198 8.278 10.036 636 H LEU 78 H LEU 78 6.672 6.380 2.303 637 HA LEU 78 HA LEU 78 8.035 3.905 2.522 638 HB2 LEU 78 2HB LEU 78 7.643 5.717 0.137 639 HB3 LEU 78 1HB LEU 78 8.225 4.063 0.049 640 HG LEU 78 HG LEU 78 5.510 4.853 1.133 641 HD11 LEU 78 1HD1 LEU 78 6.248 3.755 -1.578 642 HD12 LEU 78 2HD1 LEU 78 5.625 5.369 -1.234 643 HD13 LEU 78 3HD1 LEU 78 4.608 3.955 -0.961 644 HD21 LEU 78 3HD2 LEU 78 5.009 2.460 0.928 645 HD22 LEU 78 1HD2 LEU 78 6.340 2.754 2.049 646 HD23 LEU 78 2HD2 LEU 78 6.672 2.155 0.424 647 H GLU 79 H GLU 79 9.158 7.151 1.659 648 HA GLU 79 HA GLU 79 11.837 6.644 1.118 649 HB2 GLU 79 2HB GLU 79 10.482 9.008 2.425 650 HB3 GLU 79 1HB GLU 79 12.196 9.002 2.042 651 HG2 GLU 79 2HG GLU 79 10.010 8.598 0.006 652 HG3 GLU 79 1HG GLU 79 10.757 10.153 0.366 653 H ALA 80 H ALA 80 10.263 7.250 4.251 654 HA ALA 80 HA ALA 80 12.538 7.071 5.888 655 HB1 ALA 80 3HB ALA 80 10.400 7.939 6.690 656 HB2 ALA 80 1HB ALA 80 10.969 6.626 7.722 657 HB3 ALA 80 2HB ALA 80 9.682 6.333 6.551 658 H GLU 81 H GLU 81 10.537 4.596 4.437 659 HA GLU 81 HA GLU 81 11.726 2.452 5.995 660 HB2 GLU 81 2HB GLU 81 9.736 2.391 3.719 661 HB3 GLU 81 1HB GLU 81 10.210 0.999 4.685 662 HG2 GLU 81 2HG GLU 81 8.850 3.474 5.750 663 HG3 GLU 81 1HG GLU 81 8.048 1.949 5.378 664 H GLY 82 H GLY 82 13.031 4.171 3.621 665 HA2 GLY 82 2HA GLY 82 15.062 3.692 2.564 666 HA3 GLY 82 1HA GLY 82 14.800 1.984 2.870 667 H ILE 83 H ILE 83 12.028 3.246 1.505 668 HA ILE 83 HA ILE 83 12.628 1.996 -1.060 669 HB ILE 83 HB ILE 83 10.051 3.213 -0.027 670 HG12 ILE 83 2HG1 ILE 83 10.926 0.314 -0.233 671 HG13 ILE 83 1HG1 ILE 83 10.811 1.243 1.258 672 HG21 ILE 83 1HG2 ILE 83 10.118 3.221 -2.469 673 HG22 ILE 83 2HG2 ILE 83 8.966 2.021 -1.888 674 HG23 ILE 83 3HG2 ILE 83 10.548 1.509 -2.479 675 HD11 ILE 83 3HD1 ILE 83 8.914 -0.243 0.974 676 HD12 ILE 83 1HD1 ILE 83 8.514 0.538 -0.556 677 HD13 ILE 83 2HD1 ILE 83 8.407 1.445 0.954 678 H GLU 84 H GLU 84 13.010 3.070 -2.947 679 HA GLU 84 HA GLU 84 13.178 5.978 -2.868 680 HB2 GLU 84 2HB GLU 84 13.884 4.073 -5.113 681 HB3 GLU 84 1HB GLU 84 14.284 5.783 -5.040 682 HG2 GLU 84 2HG GLU 84 15.641 5.295 -2.994 683 HG3 GLU 84 1HG GLU 84 15.348 3.581 -3.282 684 H VAL 85 H VAL 85 11.165 6.878 -3.030 685 HA VAL 85 HA VAL 85 9.342 6.017 -5.145 686 HB VAL 85 HB VAL 85 9.022 8.287 -3.161 687 HG11 VAL 85 1HG1 VAL 85 6.971 6.926 -4.918 688 HG12 VAL 85 2HG1 VAL 85 7.651 8.531 -5.187 689 HG13 VAL 85 3HG1 VAL 85 6.661 8.222 -3.761 690 HG21 VAL 85 3HG2 VAL 85 7.941 5.463 -3.047 691 HG22 VAL 85 1HG2 VAL 85 7.555 6.763 -1.917 692 HG23 VAL 85 2HG2 VAL 85 9.200 6.138 -2.013 693 H SER 86 H SER 86 9.452 6.845 -7.140 694 HA SER 86 HA SER 86 11.167 9.006 -7.831 695 HB2 SER 86 2HB SER 86 8.977 7.729 -9.484 696 HB3 SER 86 1HB SER 86 10.278 8.743 -10.103 697 HG SER 86 HG SER 86 11.763 7.160 -9.437 698 H GLU 87 H GLU 87 10.641 11.057 -8.661 699 HA GLU 87 HA GLU 87 9.327 12.639 -6.927 700 HB2 GLU 87 2HB GLU 87 9.317 14.389 -8.745 701 HB3 GLU 87 1HB GLU 87 10.859 13.606 -8.430 702 HG2 GLU 87 2HG GLU 87 10.508 12.150 -10.381 703 HG3 GLU 87 1HG GLU 87 8.980 12.970 -10.703 704 H ILE 88 H ILE 88 7.786 11.615 -10.020 705 HA ILE 88 HA ILE 88 5.418 13.134 -9.443 706 HB ILE 88 HB ILE 88 4.459 11.953 -11.467 707 HG12 ILE 88 2HG1 ILE 88 6.301 10.932 -12.963 708 HG13 ILE 88 1HG1 ILE 88 7.228 10.732 -11.483 709 HG21 ILE 88 1HG2 ILE 88 7.051 13.466 -11.770 710 HG22 ILE 88 2HG2 ILE 88 5.440 14.161 -11.597 711 HG23 ILE 88 3HG2 ILE 88 5.849 13.235 -13.039 712 HD11 ILE 88 3HD1 ILE 88 6.089 8.687 -12.113 713 HD12 ILE 88 1HD1 ILE 88 4.533 9.518 -12.062 714 HD13 ILE 88 2HD1 ILE 88 5.469 9.301 -10.581 715 H GLY 89 H GLY 89 6.437 10.237 -8.202 716 HA2 GLY 89 2HA GLY 89 5.104 9.157 -6.514 717 HA3 GLY 89 1HA GLY 89 3.673 9.500 -7.475 718 H LYS 90 H LYS 90 6.795 7.987 -8.321 719 HA LYS 90 HA LYS 90 5.285 5.613 -9.257 720 HB2 LYS 90 2HB LYS 90 6.171 6.723 -11.169 721 HB3 LYS 90 1HB LYS 90 7.737 6.942 -10.415 722 HG2 LYS 90 2HG LYS 90 8.114 4.515 -10.504 723 HG3 LYS 90 1HG LYS 90 6.546 4.311 -11.290 724 HD2 LYS 90 2HD LYS 90 7.276 5.538 -13.218 725 HD3 LYS 90 1HD LYS 90 8.768 6.027 -12.412 726 HE2 LYS 90 2HE LYS 90 8.026 3.177 -13.088 727 HE3 LYS 90 1HE LYS 90 9.097 4.196 -14.050 728 HZ1 LYS 90 3HZ LYS 90 10.628 4.322 -12.234 729 HZ2 LYS 90 1HZ LYS 90 10.288 2.693 -12.529 730 HZ3 LYS 90 2HZ LYS 90 9.581 3.479 -11.211 731 H ILE 91 H ILE 91 5.985 3.592 -8.717 732 HA ILE 91 HA ILE 91 8.417 3.334 -7.055 733 HB ILE 91 HB ILE 91 5.760 1.981 -6.490 734 HG12 ILE 91 2HG1 ILE 91 7.164 4.149 -4.897 735 HG13 ILE 91 1HG1 ILE 91 5.796 4.429 -5.968 736 HG21 ILE 91 1HG2 ILE 91 7.658 0.588 -5.873 737 HG22 ILE 91 2HG2 ILE 91 6.856 1.198 -4.426 738 HG23 ILE 91 3HG2 ILE 91 8.373 1.921 -4.964 739 HD11 ILE 91 3HD1 ILE 91 5.066 4.330 -3.677 740 HD12 ILE 91 1HD1 ILE 91 5.790 2.733 -3.485 741 HD13 ILE 91 2HD1 ILE 91 4.422 2.957 -4.577 742 H ALA 92 H ALA 92 9.752 1.768 -7.769 743 HA ALA 92 HA ALA 92 9.084 0.110 -9.989 744 HB1 ALA 92 3HB ALA 92 11.322 -0.806 -9.745 745 HB2 ALA 92 1HB ALA 92 11.470 -0.073 -8.148 746 HB3 ALA 92 2HB ALA 92 11.356 0.951 -9.580 747 H LEU 93 H LEU 93 7.402 -1.309 -9.523 748 HA LEU 93 HA LEU 93 7.079 -2.837 -7.220 749 HB2 LEU 93 2HB LEU 93 6.218 -3.374 -10.061 750 HB3 LEU 93 1HB LEU 93 5.758 -4.411 -8.722 751 HG LEU 93 HG LEU 93 5.055 -1.480 -8.993 752 HD11 LEU 93 1HD1 LEU 93 3.316 -3.936 -9.232 753 HD12 LEU 93 2HD1 LEU 93 3.843 -2.915 -10.570 754 HD13 LEU 93 3HD1 LEU 93 2.776 -2.258 -9.330 755 HD21 LEU 93 3HD2 LEU 93 5.329 -2.103 -6.658 756 HD22 LEU 93 1HD2 LEU 93 4.285 -3.508 -6.888 757 HD23 LEU 93 2HD2 LEU 93 3.619 -1.881 -7.031 758 H ARG 94 H ARG 94 8.688 -3.822 -10.264 759 HA ARG 94 HA ARG 94 9.357 -6.429 -9.420 760 HB2 ARG 94 2HB ARG 94 10.767 -4.672 -11.442 761 HB3 ARG 94 1HB ARG 94 10.993 -6.409 -11.274 762 HG2 ARG 94 2HG ARG 94 8.664 -6.791 -11.883 763 HG3 ARG 94 1HG ARG 94 8.398 -5.049 -12.006 764 HD2 ARG 94 2HD ARG 94 10.101 -4.943 -13.791 765 HD3 ARG 94 1HD ARG 94 10.291 -6.693 -13.692 766 HE ARG 94 HE ARG 94 7.584 -6.046 -14.162 767 HH11 ARG 94 1HH1 ARG 94 10.646 -6.114 -15.738 768 HH12 ARG 94 2HH1 ARG 94 9.953 -6.320 -17.309 769 HH21 ARG 94 1HH2 ARG 94 6.708 -6.284 -16.179 770 HH22 ARG 94 2HH2 ARG 94 7.748 -6.395 -17.560 771 H LYS 95 H LYS 95 10.556 -3.511 -8.276 772 HA LYS 95 HA LYS 95 13.113 -4.691 -7.402 773 HB2 LYS 95 2HB LYS 95 13.242 -2.575 -8.679 774 HB3 LYS 95 1HB LYS 95 12.243 -1.790 -7.466 775 HG2 LYS 95 2HG LYS 95 13.996 -2.196 -5.783 776 HG3 LYS 95 1HG LYS 95 15.005 -2.928 -7.033 777 HD2 LYS 95 2HD LYS 95 14.962 -0.796 -8.286 778 HD3 LYS 95 1HD LYS 95 14.000 -0.075 -6.995 779 HE2 LYS 95 2HE LYS 95 16.325 0.554 -6.736 780 HE3 LYS 95 1HE LYS 95 15.838 -0.500 -5.410 781 HZ1 LYS 95 3HZ LYS 95 17.989 -1.145 -6.217 782 HZ2 LYS 95 1HZ LYS 95 17.413 -1.292 -7.803 783 HZ3 LYS 95 2HZ LYS 95 16.879 -2.359 -6.605 784 H TYR 96 H TYR 96 10.011 -3.612 -6.260 785 HA TYR 96 HA TYR 96 10.937 -3.913 -3.463 786 HB2 TYR 96 2HB TYR 96 8.956 -1.875 -4.512 787 HB3 TYR 96 1HB TYR 96 9.287 -2.162 -2.807 788 HD1 TYR 96 HD1 TYR 96 11.693 -1.778 -1.985 789 HD2 TYR 96 HD2 TYR 96 10.258 -0.338 -5.730 790 HE1 TYR 96 HE1 TYR 96 13.518 -0.131 -2.048 791 HE2 TYR 96 HE2 TYR 96 12.082 1.310 -5.801 792 HH TYR 96 HH TYR 96 14.752 1.191 -3.694 793 H LYS 97 H LYS 97 9.326 -5.592 -5.566 794 HA LYS 97 HA LYS 97 6.675 -5.780 -4.675 795 HB2 LYS 97 2HB LYS 97 7.433 -6.627 -6.852 796 HB3 LYS 97 1HB LYS 97 8.358 -7.890 -6.044 797 HG2 LYS 97 2HG LYS 97 6.317 -8.870 -5.173 798 HG3 LYS 97 1HG LYS 97 5.373 -7.558 -5.881 799 HD2 LYS 97 2HD LYS 97 5.941 -8.267 -8.106 800 HD3 LYS 97 1HD LYS 97 7.078 -9.463 -7.480 801 HE2 LYS 97 2HE LYS 97 4.921 -10.453 -8.221 802 HE3 LYS 97 1HE LYS 97 5.273 -10.751 -6.520 803 HZ1 LYS 97 3HZ LYS 97 3.697 -9.143 -5.862 804 HZ2 LYS 97 1HZ LYS 97 2.938 -10.073 -7.049 805 HZ3 LYS 97 2HZ LYS 97 3.527 -8.532 -7.428 806 H TRP 98 H TRP 98 5.737 -6.753 -2.992 807 HA TRP 98 HA TRP 98 7.230 -8.183 -1.024 808 HB2 TRP 98 2HB TRP 98 5.323 -6.891 -0.309 809 HB3 TRP 98 1HB TRP 98 4.252 -7.773 -1.393 810 HD1 TRP 98 HD1 TRP 98 6.778 -9.482 0.980 811 HE1 TRP 98 HE1 TRP 98 5.466 -10.909 2.671 812 HE3 TRP 98 HE3 TRP 98 2.032 -8.117 -0.330 813 HZ2 TRP 98 HZ2 TRP 98 2.772 -11.399 3.353 814 HZ3 TRP 98 HZ3 TRP 98 0.139 -9.113 0.881 815 HH2 TRP 98 HH2 TRP 98 0.501 -10.722 2.690 816 H GLN 99 H GLN 99 8.016 -10.135 -1.448 817 HA GLN 99 HA GLN 99 6.301 -12.135 -2.774 818 HB2 GLN 99 2HB GLN 99 9.308 -12.074 -2.402 819 HB3 GLN 99 1HB GLN 99 8.421 -13.392 -3.156 820 HG2 GLN 99 2HG GLN 99 8.334 -10.566 -4.194 821 HG3 GLN 99 1HG GLN 99 9.543 -11.740 -4.709 822 HE21 GLN 99 1HE2 GLN 99 8.798 -11.633 -6.831 823 HE22 GLN 99 2HE2 GLN 99 7.332 -12.408 -7.323 824 HA PRO 100 HA PRO 100 5.996 -13.461 1.633 825 HB2 PRO 100 2HB PRO 100 3.850 -15.127 1.117 826 HB3 PRO 100 1HB PRO 100 3.710 -13.415 1.531 827 HG2 PRO 100 2HG PRO 100 3.660 -14.720 -1.168 828 HG3 PRO 100 1HG PRO 100 2.632 -13.419 -0.534 829 HD2 PRO 100 2HD PRO 100 4.667 -12.882 -2.187 830 HD3 PRO 100 1HD PRO 100 4.284 -11.800 -0.832 831 H LEU 101 H LEU 101 6.032 -15.419 -1.314 832 HA LEU 101 HA LEU 101 7.022 -17.388 -1.853 833 HB2 LEU 101 2HB LEU 101 8.630 -16.951 0.667 834 HB3 LEU 101 1HB LEU 101 9.047 -18.032 -0.650 835 HG LEU 101 HG LEU 101 8.944 -15.012 -0.769 836 HD11 LEU 101 1HD1 LEU 101 11.276 -16.913 -0.971 837 HD12 LEU 101 2HD1 LEU 101 10.893 -15.883 0.409 838 HD13 LEU 101 3HD1 LEU 101 11.345 -15.159 -1.132 839 HD21 LEU 101 3HD2 LEU 101 9.584 -16.996 -2.954 840 HD22 LEU 101 1HD2 LEU 101 9.823 -15.251 -3.060 841 HD23 LEU 101 2HD2 LEU 101 8.197 -15.909 -2.890 842 H GLU 102 H GLU 102 4.679 -17.350 -0.019 843 HA GLU 102 HA GLU 102 4.968 -19.736 1.610 844 HB2 GLU 102 2HB GLU 102 2.518 -18.054 1.018 845 HB3 GLU 102 1HB GLU 102 2.616 -19.329 2.223 846 HG2 GLU 102 2HG GLU 102 4.186 -16.754 2.245 847 HG3 GLU 102 1HG GLU 102 2.771 -17.113 3.230 Start of MODEL 16 1 H1 MET 1 1H MET 1 -18.015 -1.661 11.986 2 H2 MET 1 2H MET 1 -17.058 -0.969 13.192 3 H3 MET 1 3H MET 1 -17.472 -2.603 13.280 4 HA MET 1 HA MET 1 -15.739 -1.335 11.242 5 HB2 MET 1 2HB MET 1 -14.665 -1.569 13.440 6 HB3 MET 1 1HB MET 1 -15.093 -3.274 13.480 7 HG2 MET 1 2HG MET 1 -12.760 -2.988 12.890 8 HG3 MET 1 1HG MET 1 -13.657 -3.678 11.539 9 HE1 MET 1 3HE MET 1 -10.849 -1.399 9.909 10 HE2 MET 1 1HE MET 1 -11.486 -3.038 10.024 11 HE3 MET 1 2HE MET 1 -10.719 -2.290 11.426 12 H ASP 2 H ASP 2 -15.933 -2.300 9.330 13 HA ASP 2 HA ASP 2 -17.332 -4.762 8.974 14 HB2 ASP 2 2HB ASP 2 -15.654 -3.231 6.971 15 HB3 ASP 2 1HB ASP 2 -16.856 -4.465 6.598 16 H GLN 3 H GLN 3 -16.588 -6.822 8.840 17 HA GLN 3 HA GLN 3 -13.937 -7.525 9.452 18 HB2 GLN 3 2HB GLN 3 -16.157 -9.122 8.167 19 HB3 GLN 3 1HB GLN 3 -14.597 -9.822 8.579 20 HG2 GLN 3 2HG GLN 3 -16.549 -8.573 10.508 21 HG3 GLN 3 1HG GLN 3 -16.242 -10.297 10.296 22 HE21 GLN 3 1HE2 GLN 3 -14.984 -7.298 11.511 23 HE22 GLN 3 2HE2 GLN 3 -13.711 -7.982 12.453 24 H PHE 4 H PHE 4 -15.471 -6.873 6.371 25 HA PHE 4 HA PHE 4 -13.572 -7.795 4.576 26 HB2 PHE 4 2HB PHE 4 -15.547 -6.771 3.709 27 HB3 PHE 4 1HB PHE 4 -15.243 -5.273 4.581 28 HD1 PHE 4 HD1 PHE 4 -13.876 -7.418 1.860 29 HD2 PHE 4 HD2 PHE 4 -14.134 -3.503 3.525 30 HE1 PHE 4 HE1 PHE 4 -12.747 -6.498 -0.124 31 HE2 PHE 4 HE2 PHE 4 -13.007 -2.583 1.544 32 HZ PHE 4 HZ PHE 4 -12.312 -4.082 -0.285 33 H LEU 5 H LEU 5 -13.598 -4.723 6.353 34 HA LEU 5 HA LEU 5 -11.096 -3.773 5.426 35 HB2 LEU 5 2HB LEU 5 -12.544 -3.084 7.995 36 HB3 LEU 5 1HB LEU 5 -11.270 -2.140 7.234 37 HG LEU 5 HG LEU 5 -14.001 -2.659 6.038 38 HD11 LEU 5 1HD1 LEU 5 -14.158 -1.199 7.956 39 HD12 LEU 5 2HD1 LEU 5 -14.397 -0.277 6.473 40 HD13 LEU 5 3HD1 LEU 5 -12.856 -0.187 7.330 41 HD21 LEU 5 3HD2 LEU 5 -13.359 -1.005 4.362 42 HD22 LEU 5 1HD2 LEU 5 -12.263 -2.385 4.338 43 HD23 LEU 5 2HD2 LEU 5 -11.757 -0.871 5.090 44 H VAL 6 H VAL 6 -12.046 -5.435 8.428 45 HA VAL 6 HA VAL 6 -9.581 -5.465 9.725 46 HB VAL 6 HB VAL 6 -11.702 -7.632 9.798 47 HG11 VAL 6 1HG1 VAL 6 -9.615 -8.424 10.754 48 HG12 VAL 6 2HG1 VAL 6 -10.793 -8.142 12.037 49 HG13 VAL 6 3HG1 VAL 6 -9.495 -6.979 11.760 50 HG21 VAL 6 3HG2 VAL 6 -12.563 -6.451 11.772 51 HG22 VAL 6 1HG2 VAL 6 -12.630 -5.437 10.331 52 HG23 VAL 6 2HG2 VAL 6 -11.366 -5.178 11.534 53 H GLN 7 H GLN 7 -10.886 -7.797 7.374 54 HA GLN 7 HA GLN 7 -8.735 -9.631 7.536 55 HB2 GLN 7 2HB GLN 7 -10.794 -9.179 5.365 56 HB3 GLN 7 1HB GLN 7 -9.658 -10.522 5.380 57 HG2 GLN 7 2HG GLN 7 -11.751 -9.968 7.482 58 HG3 GLN 7 1HG GLN 7 -11.865 -11.177 6.202 59 HE21 GLN 7 1HE2 GLN 7 -10.380 -10.338 9.221 60 HE22 GLN 7 2HE2 GLN 7 -9.718 -11.896 9.552 61 H ILE 8 H ILE 8 -9.447 -7.116 5.052 62 HA ILE 8 HA ILE 8 -7.139 -7.618 3.519 63 HB ILE 8 HB ILE 8 -7.442 -5.384 2.521 64 HG12 ILE 8 2HG1 ILE 8 -9.643 -5.051 4.581 65 HG13 ILE 8 1HG1 ILE 8 -8.130 -4.153 4.546 66 HG21 ILE 8 1HG2 ILE 8 -10.019 -6.928 2.861 67 HG22 ILE 8 2HG2 ILE 8 -8.743 -7.275 1.692 68 HG23 ILE 8 3HG2 ILE 8 -9.666 -5.777 1.570 69 HD11 ILE 8 3HD1 ILE 8 -8.786 -3.176 2.391 70 HD12 ILE 8 1HD1 ILE 8 -9.931 -2.807 3.682 71 HD13 ILE 8 2HD1 ILE 8 -10.321 -4.041 2.484 72 H PHE 9 H PHE 9 -7.649 -5.341 6.213 73 HA PHE 9 HA PHE 9 -5.081 -4.175 6.199 74 HB2 PHE 9 2HB PHE 9 -6.948 -4.671 8.536 75 HB3 PHE 9 1HB PHE 9 -5.533 -3.629 8.589 76 HD1 PHE 9 HD1 PHE 9 -6.490 -2.913 5.462 77 HD2 PHE 9 HD2 PHE 9 -8.029 -2.519 9.417 78 HE1 PHE 9 HE1 PHE 9 -7.864 -1.012 4.735 79 HE2 PHE 9 HE2 PHE 9 -9.406 -0.614 8.690 80 HZ PHE 9 HZ PHE 9 -9.323 0.140 6.347 81 H ALA 10 H ALA 10 -6.329 -7.012 7.953 82 HA ALA 10 HA ALA 10 -4.068 -7.743 9.376 83 HB1 ALA 10 3HB ALA 10 -6.243 -8.812 9.665 84 HB2 ALA 10 1HB ALA 10 -4.981 -10.014 9.387 85 HB3 ALA 10 2HB ALA 10 -6.088 -9.578 8.084 86 H VAL 11 H VAL 11 -4.869 -8.436 5.986 87 HA VAL 11 HA VAL 11 -2.675 -10.149 5.454 88 HB VAL 11 HB VAL 11 -4.216 -8.384 3.532 89 HG11 VAL 11 1HG1 VAL 11 -2.387 -10.727 2.970 90 HG12 VAL 11 2HG1 VAL 11 -2.069 -9.035 2.576 91 HG13 VAL 11 3HG1 VAL 11 -3.386 -9.894 1.777 92 HG21 VAL 11 3HG2 VAL 11 -5.657 -9.971 4.685 93 HG22 VAL 11 1HG2 VAL 11 -4.568 -11.295 4.267 94 HG23 VAL 11 2HG2 VAL 11 -5.452 -10.447 2.999 95 H ILE 12 H ILE 12 -3.082 -6.638 5.090 96 HA ILE 12 HA ILE 12 -0.667 -6.016 3.838 97 HB ILE 12 HB ILE 12 -2.165 -4.355 5.875 98 HG12 ILE 12 2HG1 ILE 12 -2.372 -4.299 2.852 99 HG13 ILE 12 1HG1 ILE 12 -3.511 -5.138 3.899 100 HG21 ILE 12 1HG2 ILE 12 0.089 -3.505 5.516 101 HG22 ILE 12 2HG2 ILE 12 -1.100 -2.422 4.792 102 HG23 ILE 12 3HG2 ILE 12 -0.167 -3.515 3.768 103 HD11 ILE 12 3HD1 ILE 12 -2.972 -2.176 3.915 104 HD12 ILE 12 1HD1 ILE 12 -4.132 -3.031 4.932 105 HD13 ILE 12 2HD1 ILE 12 -4.362 -2.978 3.184 106 H HIS 13 H HIS 13 -1.339 -6.624 7.256 107 HA HIS 13 HA HIS 13 1.063 -5.684 8.355 108 HB2 HIS 13 2HB HIS 13 -0.845 -7.837 9.249 109 HB3 HIS 13 1HB HIS 13 0.592 -7.436 10.184 110 HD2 HIS 13 HD2 HIS 13 -2.999 -6.297 9.783 111 HE1 HIS 13 HE1 HIS 13 -0.943 -3.236 11.859 112 HE2 HIS 13 HE2 HIS 13 -3.196 -4.026 11.023 113 H GLN 14 H GLN 14 0.636 -8.458 6.337 114 HA GLN 14 HA GLN 14 3.001 -9.832 7.291 115 HB2 GLN 14 2HB GLN 14 1.079 -10.311 5.041 116 HB3 GLN 14 1HB GLN 14 2.651 -11.092 5.002 117 HG2 GLN 14 2HG GLN 14 1.162 -12.640 5.943 118 HG3 GLN 14 1HG GLN 14 2.154 -12.031 7.259 119 HE21 GLN 14 1HE2 GLN 14 -0.558 -10.371 5.787 120 HE22 GLN 14 2HE2 GLN 14 -1.577 -10.430 7.177 121 H ILE 15 H ILE 15 2.517 -7.152 5.262 122 HA ILE 15 HA ILE 15 4.730 -7.584 3.477 123 HB ILE 15 HB ILE 15 3.392 -4.955 4.171 124 HG12 ILE 15 2HG1 ILE 15 2.774 -6.905 1.930 125 HG13 ILE 15 1HG1 ILE 15 1.764 -6.622 3.343 126 HG21 ILE 15 1HG2 ILE 15 4.252 -4.212 1.996 127 HG22 ILE 15 2HG2 ILE 15 5.052 -5.769 1.781 128 HG23 ILE 15 3HG2 ILE 15 5.561 -4.688 3.079 129 HD11 ILE 15 3HD1 ILE 15 1.424 -4.306 2.620 130 HD12 ILE 15 1HD1 ILE 15 0.888 -5.469 1.408 131 HD13 ILE 15 2HD1 ILE 15 2.416 -4.616 1.195 132 HA PRO 16 HA PRO 16 7.798 -6.575 6.648 133 HB2 PRO 16 2HB PRO 16 9.719 -6.888 4.424 134 HB3 PRO 16 1HB PRO 16 9.615 -7.768 5.951 135 HG2 PRO 16 2HG PRO 16 8.950 -8.923 3.619 136 HG3 PRO 16 1HG PRO 16 8.077 -9.291 5.120 137 HD2 PRO 16 2HD PRO 16 7.293 -7.459 2.870 138 HD3 PRO 16 1HD PRO 16 6.301 -8.635 3.762 139 H LYS 17 H LYS 17 9.665 -5.060 6.829 140 HA LYS 17 HA LYS 17 8.895 -2.451 5.981 141 HB2 LYS 17 2HB LYS 17 10.033 -3.076 8.156 142 HB3 LYS 17 1HB LYS 17 11.522 -3.276 7.242 143 HG2 LYS 17 2HG LYS 17 11.494 -0.932 6.618 144 HG3 LYS 17 1HG LYS 17 9.936 -0.714 7.414 145 HD2 LYS 17 2HD LYS 17 11.377 0.079 9.032 146 HD3 LYS 17 1HD LYS 17 11.205 -1.602 9.526 147 HE2 LYS 17 2HE LYS 17 13.496 -0.396 7.972 148 HE3 LYS 17 1HE LYS 17 13.527 -0.936 9.646 149 HZ1 LYS 17 3HZ LYS 17 13.248 -2.630 7.224 150 HZ2 LYS 17 1HZ LYS 17 13.057 -3.211 8.805 151 HZ3 LYS 17 2HZ LYS 17 14.546 -2.587 8.305 152 H GLY 18 H GLY 18 9.275 -1.598 4.015 153 HA2 GLY 18 2HA GLY 18 10.768 -0.789 2.347 154 HA3 GLY 18 1HA GLY 18 11.877 -2.095 2.728 155 H LYS 19 H LYS 19 8.566 -3.003 2.362 156 HA LYS 19 HA LYS 19 9.007 -3.768 -0.456 157 HB2 LYS 19 2HB LYS 19 7.679 -5.423 1.707 158 HB3 LYS 19 1HB LYS 19 7.654 -5.828 -0.003 159 HG2 LYS 19 2HG LYS 19 10.100 -5.649 1.753 160 HG3 LYS 19 1HG LYS 19 9.339 -7.128 1.159 161 HD2 LYS 19 2HD LYS 19 9.827 -6.408 -1.161 162 HD3 LYS 19 1HD LYS 19 10.639 -4.977 -0.531 163 HE2 LYS 19 2HE LYS 19 11.454 -7.850 -0.077 164 HE3 LYS 19 1HE LYS 19 12.273 -6.676 -1.108 165 HZ1 LYS 19 3HZ LYS 19 12.058 -6.659 1.850 166 HZ2 LYS 19 1HZ LYS 19 12.587 -5.319 0.963 167 HZ3 LYS 19 2HZ LYS 19 13.459 -6.762 0.912 168 H VAL 20 H VAL 20 7.133 -3.866 -1.795 169 HA VAL 20 HA VAL 20 4.733 -2.535 -0.704 170 HB VAL 20 HB VAL 20 4.433 -1.310 -2.805 171 HG11 VAL 20 1HG1 VAL 20 6.212 0.340 -2.536 172 HG12 VAL 20 2HG1 VAL 20 7.167 -0.820 -1.609 173 HG13 VAL 20 3HG1 VAL 20 5.637 -0.219 -0.964 174 HG21 VAL 20 3HG2 VAL 20 7.116 -2.449 -3.609 175 HG22 VAL 20 1HG2 VAL 20 6.222 -1.208 -4.490 176 HG23 VAL 20 2HG2 VAL 20 5.558 -2.836 -4.341 177 H SER 21 H SER 21 2.736 -3.127 -1.593 178 HA SER 21 HA SER 21 2.715 -5.205 -3.680 179 HB2 SER 21 2HB SER 21 2.527 -6.405 -1.537 180 HB3 SER 21 1HB SER 21 1.143 -5.407 -1.093 181 HG SER 21 HG SER 21 1.293 -7.176 -3.323 182 H THR 22 H THR 22 0.266 -5.646 -4.289 183 HA THR 22 HA THR 22 -0.885 -2.976 -4.802 184 HB THR 22 HB THR 22 -1.994 -3.936 -6.751 185 HG1 THR 22 HG1 THR 22 -0.629 -6.377 -6.204 186 HG21 THR 22 3HG2 THR 22 -0.020 -4.463 -8.117 187 HG22 THR 22 1HG2 THR 22 0.937 -4.675 -6.651 188 HG23 THR 22 2HG2 THR 22 0.282 -3.087 -7.056 189 H TYR 23 H TYR 23 -3.125 -2.612 -4.644 190 HA TYR 23 HA TYR 23 -4.506 -3.668 -2.490 191 HB2 TYR 23 2HB TYR 23 -5.768 -2.516 -4.996 192 HB3 TYR 23 1HB TYR 23 -6.522 -2.626 -3.411 193 HD1 TYR 23 HD2 TYR 23 -5.404 -1.317 -1.486 194 HD2 TYR 23 HD1 TYR 23 -4.562 -0.613 -5.600 195 HE1 TYR 23 HE2 TYR 23 -4.519 0.904 -0.925 196 HE2 TYR 23 HE1 TYR 23 -3.672 1.607 -5.043 197 HH TYR 23 HH TYR 23 -2.934 2.551 -1.886 198 H GLY 24 H GLY 24 -4.504 -4.780 -5.837 199 HA2 GLY 24 2HA GLY 24 -6.671 -6.567 -5.733 200 HA3 GLY 24 1HA GLY 24 -5.313 -6.676 -6.841 201 H GLU 25 H GLU 25 -3.193 -7.186 -5.200 202 HA GLU 25 HA GLU 25 -3.418 -9.936 -4.645 203 HB2 GLU 25 2HB GLU 25 -1.374 -7.938 -3.637 204 HB3 GLU 25 1HB GLU 25 -1.196 -9.688 -3.562 205 HG2 GLU 25 2HG GLU 25 -1.206 -9.815 -5.990 206 HG3 GLU 25 1HG GLU 25 -1.468 -8.076 -6.094 207 H ILE 26 H ILE 26 -3.229 -7.171 -2.394 208 HA ILE 26 HA ILE 26 -3.443 -8.512 0.022 209 HB ILE 26 HB ILE 26 -4.616 -5.809 -0.691 210 HG12 ILE 26 2HG1 ILE 26 -2.205 -5.952 -1.143 211 HG13 ILE 26 1HG1 ILE 26 -2.522 -4.890 0.223 212 HG21 ILE 26 1HG2 ILE 26 -4.522 -5.304 1.696 213 HG22 ILE 26 2HG2 ILE 26 -3.940 -6.935 2.031 214 HG23 ILE 26 3HG2 ILE 26 -5.564 -6.692 1.388 215 HD11 ILE 26 3HD1 ILE 26 -0.581 -6.297 0.609 216 HD12 ILE 26 1HD1 ILE 26 -1.568 -7.741 0.396 217 HD13 ILE 26 2HD1 ILE 26 -1.865 -6.662 1.760 218 H ALA 27 H ALA 27 -6.135 -7.122 -1.884 219 HA ALA 27 HA ALA 27 -8.227 -8.046 -0.253 220 HB1 ALA 27 3HB ALA 27 -8.287 -7.508 -3.227 221 HB2 ALA 27 1HB ALA 27 -8.506 -6.303 -1.958 222 HB3 ALA 27 2HB ALA 27 -9.687 -7.598 -2.158 223 H LYS 28 H LYS 28 -6.695 -9.520 -3.098 224 HA LYS 28 HA LYS 28 -8.405 -11.748 -3.329 225 HB2 LYS 28 2HB LYS 28 -6.871 -10.958 -5.102 226 HB3 LYS 28 1HB LYS 28 -5.500 -11.506 -4.147 227 HG2 LYS 28 2HG LYS 28 -6.135 -13.794 -4.406 228 HG3 LYS 28 1HG LYS 28 -7.685 -13.337 -5.120 229 HD2 LYS 28 2HD LYS 28 -6.136 -14.072 -6.852 230 HD3 LYS 28 1HD LYS 28 -6.506 -12.358 -7.043 231 HE2 LYS 28 2HE LYS 28 -4.147 -12.704 -7.399 232 HE3 LYS 28 1HE LYS 28 -4.376 -11.815 -5.895 233 HZ1 LYS 28 3HZ LYS 28 -2.719 -13.617 -5.751 234 HZ2 LYS 28 1HZ LYS 28 -3.941 -14.745 -6.050 235 HZ3 LYS 28 2HZ LYS 28 -3.987 -13.802 -4.650 236 H MET 29 H MET 29 -5.499 -11.234 -1.383 237 HA MET 29 HA MET 29 -5.319 -13.929 -0.422 238 HB2 MET 29 2HB MET 29 -4.211 -11.348 0.705 239 HB3 MET 29 1HB MET 29 -3.818 -12.948 1.318 240 HG2 MET 29 2HG MET 29 -2.830 -13.537 -0.834 241 HG3 MET 29 1HG MET 29 -3.244 -11.942 -1.464 242 HE1 MET 29 3HE MET 29 -0.762 -11.497 -2.208 243 HE2 MET 29 1HE MET 29 -0.304 -13.102 -1.638 244 HE3 MET 29 2HE MET 29 0.637 -11.691 -1.150 245 H ALA 30 H ALA 30 -6.793 -10.951 0.816 246 HA ALA 30 HA ALA 30 -7.659 -11.973 3.308 247 HB1 ALA 30 3HB ALA 30 -7.491 -9.578 2.826 248 HB2 ALA 30 1HB ALA 30 -9.104 -10.007 3.398 249 HB3 ALA 30 2HB ALA 30 -8.825 -9.710 1.680 250 H GLY 31 H GLY 31 -8.970 -12.278 0.104 251 HA2 GLY 31 2HA GLY 31 -10.468 -14.134 -0.340 252 HA3 GLY 31 1HA GLY 31 -11.226 -13.840 1.215 253 H TYR 32 H TYR 32 -10.445 -11.163 -0.863 254 HA TYR 32 HA TYR 32 -13.237 -10.968 -1.785 255 HB2 TYR 32 2HB TYR 32 -11.695 -8.650 -0.585 256 HB3 TYR 32 1HB TYR 32 -13.358 -8.623 -1.160 257 HD1 TYR 32 HD2 TYR 32 -11.119 -9.679 1.544 258 HD2 TYR 32 HD1 TYR 32 -15.156 -9.591 0.182 259 HE1 TYR 32 HE2 TYR 32 -11.885 -10.248 3.807 260 HE2 TYR 32 HE1 TYR 32 -15.931 -10.167 2.445 261 HH TYR 32 HH TYR 32 -13.923 -10.019 5.178 262 HA PRO 33 HA PRO 33 -10.002 -10.146 -5.153 263 HB2 PRO 33 2HB PRO 33 -11.821 -11.948 -6.662 264 HB3 PRO 33 1HB PRO 33 -10.056 -11.963 -6.549 265 HG2 PRO 33 2HG PRO 33 -11.520 -13.815 -5.300 266 HG3 PRO 33 1HG PRO 33 -10.061 -13.141 -4.545 267 HD2 PRO 33 2HD PRO 33 -12.944 -12.484 -4.015 268 HD3 PRO 33 1HD PRO 33 -11.611 -12.717 -2.863 269 H GLY 34 H GLY 34 -10.252 -8.525 -6.615 270 HA2 GLY 34 2HA GLY 34 -11.357 -7.238 -8.247 271 HA3 GLY 34 1HA GLY 34 -12.888 -7.943 -7.752 272 H TYR 35 H TYR 35 -12.241 -7.325 -4.868 273 HA TYR 35 HA TYR 35 -13.462 -4.706 -4.868 274 HB2 TYR 35 2HB TYR 35 -12.685 -6.593 -2.637 275 HB3 TYR 35 1HB TYR 35 -13.465 -5.039 -2.363 276 HD1 TYR 35 HD2 TYR 35 -15.799 -4.687 -2.983 277 HD2 TYR 35 HD1 TYR 35 -13.931 -8.464 -3.593 278 HE1 TYR 35 HE2 TYR 35 -18.004 -5.716 -3.304 279 HE2 TYR 35 HE1 TYR 35 -16.135 -9.503 -3.916 280 HH TYR 35 HH TYR 35 -18.993 -7.662 -4.336 281 H ALA 36 H ALA 36 -10.570 -5.017 -5.697 282 HA ALA 36 HA ALA 36 -8.784 -4.025 -3.813 283 HB1 ALA 36 3HB ALA 36 -7.399 -3.355 -5.708 284 HB2 ALA 36 1HB ALA 36 -8.778 -3.544 -6.792 285 HB3 ALA 36 2HB ALA 36 -8.105 -4.951 -5.968 286 H ARG 37 H ARG 37 -10.989 -2.248 -5.936 287 HA ARG 37 HA ARG 37 -10.071 0.351 -5.474 288 HB2 ARG 37 2HB ARG 37 -12.297 1.095 -6.189 289 HB3 ARG 37 1HB ARG 37 -11.688 -0.191 -7.221 290 HG2 ARG 37 2HG ARG 37 -13.083 -1.806 -5.913 291 HG3 ARG 37 1HG ARG 37 -13.787 -0.427 -5.066 292 HD2 ARG 37 2HD ARG 37 -15.244 -1.110 -6.876 293 HD3 ARG 37 1HD ARG 37 -14.556 0.475 -7.236 294 HE ARG 37 HE ARG 37 -12.961 -1.562 -8.370 295 HH11 ARG 37 1HH1 ARG 37 -15.960 0.077 -8.816 296 HH12 ARG 37 2HH1 ARG 37 -16.004 -0.246 -10.512 297 HH21 ARG 37 1HH2 ARG 37 -13.023 -1.963 -10.544 298 HH22 ARG 37 2HH2 ARG 37 -14.355 -1.390 -11.483 299 H HIS 38 H HIS 38 -12.283 -1.639 -3.561 300 HA HIS 38 HA HIS 38 -13.065 0.433 -1.765 301 HB2 HIS 38 2HB HIS 38 -13.168 -2.578 -1.488 302 HB3 HIS 38 1HB HIS 38 -13.877 -1.454 -0.331 303 HD2 HIS 38 HD2 HIS 38 -14.697 -3.139 -3.667 304 HE1 HIS 38 HE1 HIS 38 -17.717 -0.291 -2.866 305 HE2 HIS 38 HE2 HIS 38 -17.127 -2.378 -4.166 306 H VAL 39 H VAL 39 -10.479 -1.969 -1.750 307 HA VAL 39 HA VAL 39 -9.488 -1.549 0.839 308 HB VAL 39 HB VAL 39 -7.855 -2.159 -1.641 309 HG11 VAL 39 1HG1 VAL 39 -7.274 -2.737 1.271 310 HG12 VAL 39 2HG1 VAL 39 -6.496 -1.490 0.293 311 HG13 VAL 39 3HG1 VAL 39 -6.266 -3.194 -0.103 312 HG21 VAL 39 3HG2 VAL 39 -9.231 -4.063 0.263 313 HG22 VAL 39 1HG2 VAL 39 -8.159 -4.524 -1.059 314 HG23 VAL 39 2HG2 VAL 39 -9.702 -3.745 -1.407 315 H GLY 40 H GLY 40 -8.711 0.123 -2.216 316 HA2 GLY 40 2HA GLY 40 -6.866 1.984 -1.155 317 HA3 GLY 40 1HA GLY 40 -7.802 2.199 -2.627 318 H LYS 41 H LYS 41 -10.392 2.182 -1.561 319 HA LYS 41 HA LYS 41 -10.686 4.810 -0.531 320 HB2 LYS 41 2HB LYS 41 -12.665 2.517 -0.574 321 HB3 LYS 41 1HB LYS 41 -13.072 4.194 -0.227 322 HG2 LYS 41 2HG LYS 41 -12.453 4.852 -2.473 323 HG3 LYS 41 1HG LYS 41 -11.898 3.216 -2.833 324 HD2 LYS 41 2HD LYS 41 -14.095 3.544 -3.792 325 HD3 LYS 41 1HD LYS 41 -14.210 2.391 -2.462 326 HE2 LYS 41 2HE LYS 41 -14.938 4.287 -0.989 327 HE3 LYS 41 1HE LYS 41 -14.989 5.310 -2.425 328 HZ1 LYS 41 3HZ LYS 41 -16.625 2.890 -1.899 329 HZ2 LYS 41 1HZ LYS 41 -16.604 3.709 -3.379 330 HZ3 LYS 41 2HZ LYS 41 -17.171 4.486 -1.991 331 H ALA 42 H ALA 42 -10.363 1.687 0.988 332 HA ALA 42 HA ALA 42 -11.233 2.451 3.591 333 HB1 ALA 42 3HB ALA 42 -9.422 0.178 2.776 334 HB2 ALA 42 1HB ALA 42 -11.183 0.115 2.866 335 HB3 ALA 42 2HB ALA 42 -10.234 0.355 4.333 336 H LEU 43 H LEU 43 -7.962 1.954 2.225 337 HA LEU 43 HA LEU 43 -6.536 2.761 4.510 338 HB2 LEU 43 2HB LEU 43 -5.667 2.949 1.621 339 HB3 LEU 43 1HB LEU 43 -4.604 3.010 3.015 340 HG LEU 43 HG LEU 43 -6.202 0.632 2.052 341 HD11 LEU 43 1HD1 LEU 43 -3.229 1.065 2.300 342 HD12 LEU 43 2HD1 LEU 43 -4.152 1.115 0.801 343 HD13 LEU 43 3HD1 LEU 43 -4.029 -0.391 1.709 344 HD21 LEU 43 3HD2 LEU 43 -5.197 -0.616 3.901 345 HD22 LEU 43 1HD2 LEU 43 -6.235 0.681 4.489 346 HD23 LEU 43 2HD2 LEU 43 -4.482 0.870 4.521 347 H GLY 44 H GLY 44 -7.701 4.649 1.730 348 HA2 GLY 44 2HA GLY 44 -6.465 7.097 2.399 349 HA3 GLY 44 1HA GLY 44 -7.912 6.920 1.424 350 H ASN 45 H ASN 45 -9.055 5.483 3.952 351 HA ASN 45 HA ASN 45 -9.982 7.956 5.255 352 HB2 ASN 45 2HB ASN 45 -11.210 5.200 5.055 353 HB3 ASN 45 1HB ASN 45 -11.855 6.467 6.094 354 HD21 ASN 45 1HD2 ASN 45 -13.801 6.422 4.904 355 HD22 ASN 45 2HD2 ASN 45 -13.914 7.155 3.342 356 H LEU 46 H LEU 46 -7.561 5.976 5.807 357 HA LEU 46 HA LEU 46 -8.015 5.349 8.611 358 HB2 LEU 46 2HB LEU 46 -5.689 4.964 6.734 359 HB3 LEU 46 1HB LEU 46 -5.542 4.653 8.453 360 HG LEU 46 HG LEU 46 -7.501 3.255 6.620 361 HD11 LEU 46 1HD1 LEU 46 -4.895 2.279 7.792 362 HD12 LEU 46 2HD1 LEU 46 -5.184 2.671 6.095 363 HD13 LEU 46 3HD1 LEU 46 -6.033 1.319 6.844 364 HD21 LEU 46 3HD2 LEU 46 -8.284 3.392 8.927 365 HD22 LEU 46 1HD2 LEU 46 -6.741 2.762 9.507 366 HD23 LEU 46 2HD2 LEU 46 -7.805 1.741 8.535 367 HA PRO 47 HA PRO 47 -5.972 8.977 10.312 368 HB2 PRO 47 2HB PRO 47 -4.867 7.913 12.565 369 HB3 PRO 47 1HB PRO 47 -6.595 8.258 12.415 370 HG2 PRO 47 2HG PRO 47 -5.151 5.651 12.093 371 HG3 PRO 47 1HG PRO 47 -6.678 5.988 12.932 372 HD2 PRO 47 2HD PRO 47 -6.589 4.922 10.441 373 HD3 PRO 47 1HD PRO 47 -7.900 5.997 10.968 374 H GLU 48 H GLU 48 -3.863 9.878 10.553 375 HA GLU 48 HA GLU 48 -1.970 9.092 8.713 376 HB2 GLU 48 2HB GLU 48 -2.248 11.285 10.169 377 HB3 GLU 48 1HB GLU 48 -1.055 10.512 11.199 378 HG2 GLU 48 2HG GLU 48 -0.718 11.232 8.287 379 HG3 GLU 48 1HG GLU 48 -0.002 12.063 9.664 380 H GLY 49 H GLY 49 -1.299 8.890 12.217 381 HA2 GLY 49 2HA GLY 49 0.629 6.748 11.715 382 HA3 GLY 49 1HA GLY 49 0.421 7.633 13.215 383 H SER 50 H SER 50 -1.650 5.547 11.159 384 HA SER 50 HA SER 50 -2.977 4.345 13.383 385 HB2 SER 50 2HB SER 50 -4.062 4.404 11.201 386 HB3 SER 50 1HB SER 50 -2.761 3.449 10.494 387 HG SER 50 HG SER 50 -4.944 2.495 11.458 388 H LYS 51 H LYS 51 -2.946 1.982 13.843 389 HA LYS 51 HA LYS 51 -0.338 0.973 14.343 390 HB2 LYS 51 2HB LYS 51 -2.249 0.340 15.742 391 HB3 LYS 51 1HB LYS 51 -3.021 -0.443 14.370 392 HG2 LYS 51 2HG LYS 51 -1.216 -2.091 14.280 393 HG3 LYS 51 1HG LYS 51 -0.421 -1.297 15.640 394 HD2 LYS 51 2HD LYS 51 -2.335 -1.803 17.073 395 HD3 LYS 51 1HD LYS 51 -3.171 -2.552 15.713 396 HE2 LYS 51 2HE LYS 51 -0.568 -3.496 16.924 397 HE3 LYS 51 1HE LYS 51 -2.150 -4.229 17.178 398 HZ1 LYS 51 3HZ LYS 51 -0.698 -4.054 14.597 399 HZ2 LYS 51 1HZ LYS 51 -2.251 -4.700 14.792 400 HZ3 LYS 51 2HZ LYS 51 -0.922 -5.446 15.525 401 H LEU 52 H LEU 52 -2.492 0.758 11.663 402 HA LEU 52 HA LEU 52 -1.122 -1.491 10.407 403 HB2 LEU 52 2HB LEU 52 -3.523 -1.400 10.187 404 HB3 LEU 52 1HB LEU 52 -3.452 0.238 9.565 405 HG LEU 52 HG LEU 52 -2.145 -0.720 7.588 406 HD11 LEU 52 1HD1 LEU 52 -1.536 -2.853 8.570 407 HD12 LEU 52 2HD1 LEU 52 -2.494 -3.093 7.110 408 HD13 LEU 52 3HD1 LEU 52 -3.238 -3.303 8.694 409 HD21 LEU 52 3HD2 LEU 52 -4.183 -1.429 6.432 410 HD22 LEU 52 1HD2 LEU 52 -4.448 0.022 7.397 411 HD23 LEU 52 2HD2 LEU 52 -5.019 -1.540 7.981 412 HA PRO 53 HA PRO 53 1.397 1.397 7.948 413 HB2 PRO 53 2HB PRO 53 2.844 -0.464 6.626 414 HB3 PRO 53 1HB PRO 53 3.183 -0.040 8.307 415 HG2 PRO 53 2HG PRO 53 1.658 -2.386 7.218 416 HG3 PRO 53 1HG PRO 53 2.862 -2.344 8.521 417 HD2 PRO 53 2HD PRO 53 0.166 -2.385 8.970 418 HD3 PRO 53 1HD PRO 53 1.324 -1.628 10.082 419 H TRP 54 H TRP 54 -0.323 2.163 6.668 420 HA TRP 54 HA TRP 54 -1.490 0.521 4.587 421 HB2 TRP 54 2HB TRP 54 -2.778 2.636 4.069 422 HB3 TRP 54 1HB TRP 54 -2.979 2.018 5.703 423 HD1 TRP 54 HD1 TRP 54 -2.026 3.496 7.711 424 HE1 TRP 54 HE1 TRP 54 -1.269 5.955 7.859 425 HE3 TRP 54 HE3 TRP 54 -1.610 4.520 2.718 426 HZ2 TRP 54 HZ2 TRP 54 -0.590 8.047 6.089 427 HZ3 TRP 54 HZ3 TRP 54 -0.904 6.774 2.030 428 HH2 TRP 54 HH2 TRP 54 -0.406 8.501 3.681 429 H PHE 55 H PHE 55 0.997 2.887 4.837 430 HA PHE 55 HA PHE 55 1.064 3.864 2.214 431 HB2 PHE 55 2HB PHE 55 3.512 4.400 2.847 432 HB3 PHE 55 1HB PHE 55 2.220 5.134 3.792 433 HD1 PHE 55 HD1 PHE 55 4.769 2.451 3.785 434 HD2 PHE 55 HD2 PHE 55 1.974 4.678 6.108 435 HE1 PHE 55 HE1 PHE 55 5.744 1.530 5.846 436 HE2 PHE 55 HE2 PHE 55 2.948 3.758 8.166 437 HZ PHE 55 HZ PHE 55 4.836 2.182 8.037 438 H ARG 56 H ARG 56 1.913 0.720 3.269 439 HA ARG 56 HA ARG 56 3.959 0.309 1.237 440 HB2 ARG 56 2HB ARG 56 2.719 -1.586 3.242 441 HB3 ARG 56 1HB ARG 56 3.974 -2.051 2.098 442 HG2 ARG 56 2HG ARG 56 5.477 -0.365 3.101 443 HG3 ARG 56 1HG ARG 56 4.221 0.026 4.277 444 HD2 ARG 56 2HD ARG 56 4.286 -2.294 5.098 445 HD3 ARG 56 1HD ARG 56 5.564 -2.661 3.937 446 HE ARG 56 HE ARG 56 6.635 -0.613 5.283 447 HH11 ARG 56 1HH1 ARG 56 5.162 -3.545 6.361 448 HH12 ARG 56 2HH1 ARG 56 6.030 -3.548 7.854 449 HH21 ARG 56 1HH2 ARG 56 7.734 -0.650 7.180 450 HH22 ARG 56 2HH2 ARG 56 7.467 -1.925 8.319 451 H VAL 57 H VAL 57 0.732 0.547 0.958 452 HA VAL 57 HA VAL 57 0.574 -1.593 -1.075 453 HB VAL 57 HB VAL 57 -1.775 -0.334 0.358 454 HG11 VAL 57 1HG1 VAL 57 -1.566 -2.777 -1.416 455 HG12 VAL 57 2HG1 VAL 57 -2.329 -1.242 -1.834 456 HG13 VAL 57 3HG1 VAL 57 -3.021 -2.251 -0.565 457 HG21 VAL 57 3HG2 VAL 57 -0.402 -1.571 1.958 458 HG22 VAL 57 1HG2 VAL 57 -0.426 -2.987 0.902 459 HG23 VAL 57 2HG2 VAL 57 -1.918 -2.414 1.650 460 H ILE 58 H ILE 58 0.474 -0.946 -3.111 461 HA ILE 58 HA ILE 58 -0.705 1.679 -3.785 462 HB ILE 58 HB ILE 58 0.957 1.845 -5.650 463 HG12 ILE 58 2HG1 ILE 58 2.292 -0.461 -4.196 464 HG13 ILE 58 1HG1 ILE 58 1.586 -0.524 -5.808 465 HG21 ILE 58 1HG2 ILE 58 2.791 2.649 -4.263 466 HG22 ILE 58 2HG2 ILE 58 2.166 1.748 -2.883 467 HG23 ILE 58 3HG2 ILE 58 1.239 3.092 -3.553 468 HD11 ILE 58 3HD1 ILE 58 3.268 1.082 -6.586 469 HD12 ILE 58 1HD1 ILE 58 3.991 -0.385 -5.934 470 HD13 ILE 58 2HD1 ILE 58 3.985 1.094 -4.975 471 H ASN 59 H ASN 59 -0.706 1.573 -6.524 472 HA ASN 59 HA ASN 59 -2.733 -0.488 -6.948 473 HB2 ASN 59 2HB ASN 59 -3.303 0.774 -9.003 474 HB3 ASN 59 1HB ASN 59 -3.380 1.760 -7.547 475 HD21 ASN 59 1HD2 ASN 59 -3.124 3.677 -8.620 476 HD22 ASN 59 2HD2 ASN 59 -1.645 4.146 -9.371 477 H SER 60 H SER 60 -2.834 -1.330 -9.340 478 HA SER 60 HA SER 60 -0.712 -3.168 -9.598 479 HB2 SER 60 2HB SER 60 -2.837 -2.452 -11.638 480 HB3 SER 60 1HB SER 60 -1.840 -3.905 -11.659 481 HG SER 60 HG SER 60 -3.332 -4.750 -10.462 482 H GLN 61 H GLN 61 -0.965 0.026 -10.747 483 HA GLN 61 HA GLN 61 0.791 -0.348 -13.040 484 HB2 GLN 61 2HB GLN 61 -0.342 2.198 -11.854 485 HB3 GLN 61 1HB GLN 61 0.441 2.039 -13.422 486 HG2 GLN 61 2HG GLN 61 -1.358 0.662 -14.238 487 HG3 GLN 61 1HG GLN 61 -2.106 0.629 -12.643 488 HE21 GLN 61 1HE2 GLN 61 -4.009 1.507 -13.354 489 HE22 GLN 61 2HE2 GLN 61 -4.163 3.155 -13.847 490 H GLY 62 H GLY 62 1.308 -0.156 -9.793 491 HA2 GLY 62 2HA GLY 62 3.192 0.255 -8.526 492 HA3 GLY 62 1HA GLY 62 4.072 0.544 -10.021 493 H LYS 63 H LYS 63 1.224 2.223 -8.772 494 HA LYS 63 HA LYS 63 2.816 4.698 -8.522 495 HB2 LYS 63 2HB LYS 63 0.072 4.446 -9.775 496 HB3 LYS 63 1HB LYS 63 0.956 5.947 -9.538 497 HG2 LYS 63 2HG LYS 63 2.649 5.262 -11.113 498 HG3 LYS 63 1HG LYS 63 1.910 3.666 -11.268 499 HD2 LYS 63 2HD LYS 63 -0.143 4.759 -12.163 500 HD3 LYS 63 1HD LYS 63 0.703 6.306 -12.112 501 HE2 LYS 63 2HE LYS 63 2.355 5.485 -13.693 502 HE3 LYS 63 1HE LYS 63 1.596 3.894 -13.696 503 HZ1 LYS 63 3HZ LYS 63 0.370 6.420 -14.659 504 HZ2 LYS 63 1HZ LYS 63 -0.409 4.920 -14.613 505 HZ3 LYS 63 2HZ LYS 63 0.928 5.148 -15.623 506 H ILE 64 H ILE 64 1.965 6.273 -7.063 507 HA ILE 64 HA ILE 64 0.562 5.188 -4.798 508 HB ILE 64 HB ILE 64 1.526 7.997 -5.390 509 HG12 ILE 64 2HG1 ILE 64 2.599 5.827 -3.556 510 HG13 ILE 64 1HG1 ILE 64 3.315 6.341 -5.080 511 HG21 ILE 64 1HG2 ILE 64 0.355 6.913 -2.825 512 HG22 ILE 64 2HG2 ILE 64 -0.387 8.109 -3.888 513 HG23 ILE 64 3HG2 ILE 64 1.100 8.499 -3.025 514 HD11 ILE 64 3HD1 ILE 64 4.523 7.269 -3.205 515 HD12 ILE 64 1HD1 ILE 64 3.047 8.013 -2.589 516 HD13 ILE 64 2HD1 ILE 64 3.737 8.556 -4.119 517 H SER 65 H SER 65 -1.560 5.334 -4.318 518 HA SER 65 HA SER 65 -3.406 6.267 -6.292 519 HB2 SER 65 2HB SER 65 -3.892 5.271 -3.474 520 HB3 SER 65 1HB SER 65 -5.159 5.588 -4.661 521 HG SER 65 HG SER 65 -3.758 3.382 -4.345 522 H LEU 66 H LEU 66 -2.439 7.451 -3.098 523 HA LEU 66 HA LEU 66 -4.278 9.647 -3.078 524 HB2 LEU 66 2HB LEU 66 -1.761 9.182 -1.463 525 HB3 LEU 66 1HB LEU 66 -2.954 10.428 -1.139 526 HG LEU 66 HG LEU 66 -3.453 7.444 -1.001 527 HD11 LEU 66 1HD1 LEU 66 -2.024 8.237 0.817 528 HD12 LEU 66 2HD1 LEU 66 -3.622 7.784 1.409 529 HD13 LEU 66 3HD1 LEU 66 -3.206 9.487 1.209 530 HD21 LEU 66 3HD2 LEU 66 -5.621 8.053 -0.043 531 HD22 LEU 66 1HD2 LEU 66 -5.452 8.679 -1.682 532 HD23 LEU 66 2HD2 LEU 66 -5.266 9.761 -0.302 533 H LYS 67 H LYS 67 -3.841 11.863 -3.440 534 HA LYS 67 HA LYS 67 -1.484 12.348 -5.162 535 HB2 LYS 67 2HB LYS 67 -4.217 13.641 -5.317 536 HB3 LYS 67 1HB LYS 67 -2.855 13.975 -6.385 537 HG2 LYS 67 2HG LYS 67 -2.926 11.686 -7.219 538 HG3 LYS 67 1HG LYS 67 -4.253 11.311 -6.116 539 HD2 LYS 67 2HD LYS 67 -5.648 12.998 -7.248 540 HD3 LYS 67 1HD LYS 67 -4.323 13.333 -8.365 541 HE2 LYS 67 2HE LYS 67 -4.415 11.004 -9.155 542 HE3 LYS 67 1HE LYS 67 -5.746 10.682 -8.044 543 HZ1 LYS 67 3HZ LYS 67 -5.797 12.626 -10.287 544 HZ2 LYS 67 1HZ LYS 67 -7.073 12.324 -9.221 545 HZ3 LYS 67 2HZ LYS 67 -6.546 11.113 -10.276 546 H GLY 68 H GLY 68 -0.585 14.479 -5.184 547 HA2 GLY 68 2HA GLY 68 0.181 16.433 -4.266 548 HA3 GLY 68 1HA GLY 68 -1.383 16.585 -3.494 549 H ARG 69 H ARG 69 -1.205 16.863 -1.380 550 HA ARG 69 HA ARG 69 1.166 16.495 0.088 551 HB2 ARG 69 2HB ARG 69 -1.694 16.900 0.977 552 HB3 ARG 69 1HB ARG 69 -0.333 16.881 2.093 553 HG2 ARG 69 2HG ARG 69 0.630 18.821 1.037 554 HG3 ARG 69 1HG ARG 69 -0.607 18.802 -0.220 555 HD2 ARG 69 2HD ARG 69 -0.965 20.481 1.621 556 HD3 ARG 69 1HD ARG 69 -2.315 19.384 1.327 557 HE ARG 69 HE ARG 69 -1.080 18.098 3.278 558 HH11 ARG 69 1HH1 ARG 69 -1.656 21.488 3.019 559 HH12 ARG 69 2HH1 ARG 69 -1.895 21.675 4.720 560 HH21 ARG 69 1HH2 ARG 69 -1.361 18.359 5.437 561 HH22 ARG 69 2HH2 ARG 69 -1.706 19.928 6.080 562 H ASP 70 H ASP 70 -1.818 14.542 0.041 563 HA ASP 70 HA ASP 70 -0.991 12.635 1.943 564 HB2 ASP 70 2HB ASP 70 -2.930 12.285 -0.355 565 HB3 ASP 70 1HB ASP 70 -2.820 11.258 1.072 566 H LEU 71 H LEU 71 -0.380 12.925 -1.498 567 HA LEU 71 HA LEU 71 0.671 10.349 -1.993 568 HB2 LEU 71 2HB LEU 71 0.031 12.016 -3.730 569 HB3 LEU 71 1HB LEU 71 1.429 12.976 -3.300 570 HG LEU 71 HG LEU 71 1.743 10.139 -4.284 571 HD11 LEU 71 1HD1 LEU 71 1.530 12.630 -5.984 572 HD12 LEU 71 2HD1 LEU 71 0.404 11.271 -5.966 573 HD13 LEU 71 3HD1 LEU 71 2.051 11.042 -6.555 574 HD21 LEU 71 3HD2 LEU 71 3.934 10.983 -5.041 575 HD22 LEU 71 1HD2 LEU 71 3.723 11.152 -3.299 576 HD23 LEU 71 2HD2 LEU 71 3.555 12.560 -4.348 577 H ASP 72 H ASP 72 2.345 13.410 -1.203 578 HA ASP 72 HA ASP 72 4.926 12.300 -1.028 579 HB2 ASP 72 2HB ASP 72 4.400 14.743 -1.232 580 HB3 ASP 72 1HB ASP 72 3.916 14.730 0.463 581 H ARG 73 H ARG 73 2.332 12.518 1.353 582 HA ARG 73 HA ARG 73 3.758 11.805 3.655 583 HB2 ARG 73 2HB ARG 73 1.424 12.512 3.769 584 HB3 ARG 73 1HB ARG 73 0.916 11.079 2.880 585 HG2 ARG 73 2HG ARG 73 1.735 9.673 4.749 586 HG3 ARG 73 1HG ARG 73 2.137 11.141 5.643 587 HD2 ARG 73 2HD ARG 73 -0.626 10.385 4.677 588 HD3 ARG 73 1HD ARG 73 -0.028 10.167 6.321 589 HE ARG 73 HE ARG 73 0.242 12.669 6.327 590 HH11 ARG 73 1HH1 ARG 73 -2.104 11.113 4.345 591 HH12 ARG 73 2HH1 ARG 73 -3.156 12.482 4.311 592 HH21 ARG 73 1HH2 ARG 73 -1.131 14.399 6.334 593 HH22 ARG 73 2HH2 ARG 73 -2.626 14.313 5.462 594 H GLN 74 H GLN 74 1.885 9.589 1.540 595 HA GLN 74 HA GLN 74 2.833 7.185 2.604 596 HB2 GLN 74 2HB GLN 74 0.937 7.141 1.154 597 HB3 GLN 74 1HB GLN 74 1.834 7.892 -0.159 598 HG2 GLN 74 2HG GLN 74 3.043 5.912 -0.600 599 HG3 GLN 74 1HG GLN 74 2.542 5.174 0.919 600 HE21 GLN 74 1HE2 GLN 74 1.798 3.363 -0.241 601 HE22 GLN 74 2HE2 GLN 74 0.305 3.395 -1.105 602 H LYS 75 H LYS 75 4.128 9.132 -0.049 603 HA LYS 75 HA LYS 75 6.282 7.567 -0.842 604 HB2 LYS 75 2HB LYS 75 5.791 9.416 -2.182 605 HB3 LYS 75 1HB LYS 75 5.736 10.516 -0.816 606 HG2 LYS 75 2HG LYS 75 8.158 10.438 -0.620 607 HG3 LYS 75 1HG LYS 75 8.241 9.273 -1.945 608 HD2 LYS 75 2HD LYS 75 7.546 10.868 -3.535 609 HD3 LYS 75 1HD LYS 75 6.945 11.970 -2.295 610 HE2 LYS 75 2HE LYS 75 9.848 11.269 -2.736 611 HE3 LYS 75 1HE LYS 75 9.061 12.736 -3.318 612 HZ1 LYS 75 3HZ LYS 75 10.157 13.264 -1.304 613 HZ2 LYS 75 1HZ LYS 75 9.502 11.931 -0.497 614 HZ3 LYS 75 2HZ LYS 75 8.504 13.221 -0.949 615 H GLN 76 H GLN 76 6.352 10.204 1.583 616 HA GLN 76 HA GLN 76 9.038 9.910 2.318 617 HB2 GLN 76 2HB GLN 76 6.678 11.043 3.826 618 HB3 GLN 76 1HB GLN 76 8.323 11.107 4.447 619 HG2 GLN 76 2HG GLN 76 9.003 12.378 2.452 620 HG3 GLN 76 1HG GLN 76 7.333 12.350 1.884 621 HE21 GLN 76 1HE2 GLN 76 9.024 14.621 2.560 622 HE22 GLN 76 2HE2 GLN 76 8.191 15.496 3.790 623 H LYS 77 H LYS 77 6.138 8.345 3.639 624 HA LYS 77 HA LYS 77 7.312 7.057 5.840 625 HB2 LYS 77 2HB LYS 77 5.088 6.040 4.053 626 HB3 LYS 77 1HB LYS 77 5.466 5.424 5.654 627 HG2 LYS 77 2HG LYS 77 4.592 8.252 5.079 628 HG3 LYS 77 1HG LYS 77 3.513 6.951 5.579 629 HD2 LYS 77 2HD LYS 77 4.799 6.712 7.672 630 HD3 LYS 77 1HD LYS 77 5.843 8.046 7.169 631 HE2 LYS 77 2HE LYS 77 3.968 9.573 7.182 632 HE3 LYS 77 1HE LYS 77 2.852 8.254 7.533 633 HZ1 LYS 77 3HZ LYS 77 4.984 9.287 9.324 634 HZ2 LYS 77 1HZ LYS 77 4.012 7.945 9.660 635 HZ3 LYS 77 2HZ LYS 77 3.314 9.474 9.520 636 H LEU 78 H LEU 78 6.986 5.956 2.470 637 HA LEU 78 HA LEU 78 8.329 3.468 2.868 638 HB2 LEU 78 2HB LEU 78 7.794 5.033 0.337 639 HB3 LEU 78 1HB LEU 78 8.361 3.373 0.390 640 HG LEU 78 HG LEU 78 5.698 4.349 1.449 641 HD11 LEU 78 1HD1 LEU 78 6.339 2.710 -1.004 642 HD12 LEU 78 2HD1 LEU 78 5.802 4.391 -0.991 643 HD13 LEU 78 3HD1 LEU 78 4.725 3.118 -0.418 644 HD21 LEU 78 3HD2 LEU 78 6.564 2.457 2.732 645 HD22 LEU 78 1HD2 LEU 78 6.806 1.546 1.242 646 HD23 LEU 78 2HD2 LEU 78 5.177 1.983 1.756 647 H GLU 79 H GLU 79 9.387 6.670 1.784 648 HA GLU 79 HA GLU 79 12.012 6.133 1.044 649 HB2 GLU 79 2HB GLU 79 10.790 8.519 2.442 650 HB3 GLU 79 1HB GLU 79 12.478 8.487 1.958 651 HG2 GLU 79 2HG GLU 79 10.201 8.077 0.032 652 HG3 GLU 79 1HG GLU 79 10.905 9.655 0.384 653 H ALA 80 H ALA 80 10.644 6.604 4.282 654 HA ALA 80 HA ALA 80 13.101 6.455 5.704 655 HB1 ALA 80 3HB ALA 80 11.063 7.468 6.630 656 HB2 ALA 80 1HB ALA 80 11.727 6.228 7.694 657 HB3 ALA 80 2HB ALA 80 10.311 5.874 6.702 658 H GLU 81 H GLU 81 11.413 4.026 4.072 659 HA GLU 81 HA GLU 81 12.617 1.902 5.728 660 HB2 GLU 81 2HB GLU 81 10.485 1.655 3.587 661 HB3 GLU 81 1HB GLU 81 11.063 0.364 4.637 662 HG2 GLU 81 2HG GLU 81 10.256 1.713 6.589 663 HG3 GLU 81 1HG GLU 81 9.512 2.819 5.437 664 H GLY 82 H GLY 82 13.487 3.716 3.196 665 HA2 GLY 82 2HA GLY 82 15.474 3.362 1.972 666 HA3 GLY 82 1HA GLY 82 15.281 1.632 2.187 667 H ILE 83 H ILE 83 12.343 2.908 1.190 668 HA ILE 83 HA ILE 83 12.684 1.810 -1.472 669 HB ILE 83 HB ILE 83 10.262 3.089 -0.173 670 HG12 ILE 83 2HG1 ILE 83 10.973 0.178 -0.654 671 HG13 ILE 83 1HG1 ILE 83 10.991 0.993 0.906 672 HG21 ILE 83 1HG2 ILE 83 10.123 3.285 -2.598 673 HG22 ILE 83 2HG2 ILE 83 8.972 2.083 -2.020 674 HG23 ILE 83 3HG2 ILE 83 10.478 1.565 -2.781 675 HD11 ILE 83 3HD1 ILE 83 9.013 -0.379 0.652 676 HD12 ILE 83 1HD1 ILE 83 8.564 0.501 -0.809 677 HD13 ILE 83 2HD1 ILE 83 8.575 1.325 0.751 678 H GLU 84 H GLU 84 12.953 2.919 -3.339 679 HA GLU 84 HA GLU 84 13.239 5.825 -3.207 680 HB2 GLU 84 2HB GLU 84 13.815 3.977 -5.533 681 HB3 GLU 84 1HB GLU 84 14.326 5.651 -5.362 682 HG2 GLU 84 2HG GLU 84 15.747 5.025 -3.471 683 HG3 GLU 84 1HG GLU 84 15.235 3.346 -3.640 684 H VAL 85 H VAL 85 11.196 6.711 -3.254 685 HA VAL 85 HA VAL 85 9.296 5.872 -5.312 686 HB VAL 85 HB VAL 85 8.987 8.026 -3.203 687 HG11 VAL 85 1HG1 VAL 85 6.906 6.625 -4.891 688 HG12 VAL 85 2HG1 VAL 85 7.471 8.281 -5.119 689 HG13 VAL 85 3HG1 VAL 85 6.598 7.841 -3.651 690 HG21 VAL 85 3HG2 VAL 85 8.065 5.144 -3.146 691 HG22 VAL 85 1HG2 VAL 85 7.693 6.372 -1.935 692 HG23 VAL 85 2HG2 VAL 85 9.358 5.839 -2.167 693 H SER 86 H SER 86 9.157 6.842 -7.246 694 HA SER 86 HA SER 86 10.696 9.113 -7.974 695 HB2 SER 86 2HB SER 86 10.095 7.452 -9.646 696 HB3 SER 86 1HB SER 86 8.381 7.798 -9.413 697 HG SER 86 HG SER 86 9.957 8.929 -11.135 698 H GLU 87 H GLU 87 10.087 11.199 -8.495 699 HA GLU 87 HA GLU 87 8.750 12.618 -6.626 700 HB2 GLU 87 2HB GLU 87 8.647 14.479 -8.301 701 HB3 GLU 87 1HB GLU 87 10.217 13.701 -8.165 702 HG2 GLU 87 2HG GLU 87 9.658 12.353 -10.188 703 HG3 GLU 87 1HG GLU 87 8.178 13.297 -10.350 704 H ILE 88 H ILE 88 7.239 11.567 -9.695 705 HA ILE 88 HA ILE 88 4.766 12.901 -9.022 706 HB ILE 88 HB ILE 88 3.912 11.857 -11.159 707 HG12 ILE 88 2HG1 ILE 88 5.840 11.106 -12.718 708 HG13 ILE 88 1HG1 ILE 88 6.758 10.826 -11.247 709 HG21 ILE 88 1HG2 ILE 88 4.789 14.136 -11.032 710 HG22 ILE 88 2HG2 ILE 88 5.167 13.386 -12.582 711 HG23 ILE 88 3HG2 ILE 88 6.418 13.532 -11.346 712 HD11 ILE 88 3HD1 ILE 88 5.764 8.782 -12.091 713 HD12 ILE 88 1HD1 ILE 88 4.160 9.499 -11.987 714 HD13 ILE 88 2HD1 ILE 88 5.088 9.202 -10.518 715 H GLY 89 H GLY 89 5.845 10.446 -7.487 716 HA2 GLY 89 2HA GLY 89 4.725 8.957 -6.108 717 HA3 GLY 89 1HA GLY 89 3.235 9.334 -6.952 718 H LYS 90 H LYS 90 6.350 7.919 -7.992 719 HA LYS 90 HA LYS 90 4.840 5.546 -8.930 720 HB2 LYS 90 2HB LYS 90 5.470 6.941 -10.844 721 HB3 LYS 90 1HB LYS 90 7.151 6.909 -10.335 722 HG2 LYS 90 2HG LYS 90 7.204 4.476 -10.698 723 HG3 LYS 90 1HG LYS 90 5.527 4.534 -11.246 724 HD2 LYS 90 2HD LYS 90 6.175 6.018 -13.088 725 HD3 LYS 90 1HD LYS 90 7.851 5.980 -12.533 726 HE2 LYS 90 2HE LYS 90 6.247 3.611 -13.508 727 HE3 LYS 90 1HE LYS 90 7.501 4.454 -14.415 728 HZ1 LYS 90 3HZ LYS 90 9.088 3.807 -12.661 729 HZ2 LYS 90 1HZ LYS 90 8.405 2.473 -13.447 730 HZ3 LYS 90 2HZ LYS 90 7.871 2.909 -11.906 731 H ILE 91 H ILE 91 5.634 3.597 -8.348 732 HA ILE 91 HA ILE 91 8.278 3.498 -7.032 733 HB ILE 91 HB ILE 91 5.802 1.959 -6.215 734 HG12 ILE 91 2HG1 ILE 91 7.179 4.259 -4.795 735 HG13 ILE 91 1HG1 ILE 91 5.672 4.389 -5.694 736 HG21 ILE 91 1HG2 ILE 91 7.853 0.718 -5.786 737 HG22 ILE 91 2HG2 ILE 91 7.133 1.261 -4.273 738 HG23 ILE 91 3HG2 ILE 91 8.536 2.104 -4.934 739 HD11 ILE 91 3HD1 ILE 91 5.269 4.263 -3.310 740 HD12 ILE 91 1HD1 ILE 91 6.111 2.716 -3.232 741 HD13 ILE 91 2HD1 ILE 91 4.604 2.855 -4.136 742 H ALA 92 H ALA 92 9.618 1.892 -7.662 743 HA ALA 92 HA ALA 92 9.017 0.262 -9.907 744 HB1 ALA 92 3HB ALA 92 11.240 -0.675 -9.588 745 HB2 ALA 92 1HB ALA 92 11.333 0.048 -7.981 746 HB3 ALA 92 2HB ALA 92 11.276 1.079 -9.412 747 H LEU 93 H LEU 93 7.429 -1.263 -9.649 748 HA LEU 93 HA LEU 93 6.866 -2.696 -7.313 749 HB2 LEU 93 2HB LEU 93 6.209 -3.180 -10.203 750 HB3 LEU 93 1HB LEU 93 5.717 -4.323 -8.967 751 HG LEU 93 HG LEU 93 4.912 -1.410 -9.074 752 HD11 LEU 93 1HD1 LEU 93 2.687 -2.250 -9.618 753 HD12 LEU 93 2HD1 LEU 93 3.304 -3.903 -9.641 754 HD13 LEU 93 3HD1 LEU 93 3.862 -2.736 -10.840 755 HD21 LEU 93 3HD2 LEU 93 5.062 -2.246 -6.778 756 HD22 LEU 93 1HD2 LEU 93 4.033 -3.616 -7.202 757 HD23 LEU 93 2HD2 LEU 93 3.385 -1.974 -7.248 758 H ARG 94 H ARG 94 8.453 -3.992 -10.262 759 HA ARG 94 HA ARG 94 8.911 -6.558 -9.344 760 HB2 ARG 94 2HB ARG 94 9.254 -5.837 -11.669 761 HB3 ARG 94 1HB ARG 94 10.683 -4.932 -11.188 762 HG2 ARG 94 2HG ARG 94 11.761 -7.044 -10.502 763 HG3 ARG 94 1HG ARG 94 10.337 -7.927 -11.059 764 HD2 ARG 94 2HD ARG 94 12.143 -6.202 -12.761 765 HD3 ARG 94 1HD ARG 94 12.119 -7.966 -12.735 766 HE ARG 94 HE ARG 94 9.633 -7.532 -13.434 767 HH11 ARG 94 1HH1 ARG 94 12.439 -5.849 -14.510 768 HH12 ARG 94 2HH1 ARG 94 11.762 -5.489 -16.057 769 HH21 ARG 94 1HH2 ARG 94 8.780 -7.066 -15.434 770 HH22 ARG 94 2HH2 ARG 94 9.716 -6.156 -16.568 771 H LYS 95 H LYS 95 10.841 -3.671 -8.696 772 HA LYS 95 HA LYS 95 13.063 -5.054 -7.538 773 HB2 LYS 95 2HB LYS 95 13.200 -2.786 -8.536 774 HB3 LYS 95 1HB LYS 95 12.237 -2.161 -7.203 775 HG2 LYS 95 2HG LYS 95 13.998 -2.818 -5.625 776 HG3 LYS 95 1HG LYS 95 14.963 -3.441 -6.966 777 HD2 LYS 95 2HD LYS 95 15.019 -1.181 -7.950 778 HD3 LYS 95 1HD LYS 95 14.085 -0.571 -6.584 779 HE2 LYS 95 2HE LYS 95 16.430 -0.073 -6.257 780 HE3 LYS 95 1HE LYS 95 15.905 -1.262 -5.066 781 HZ1 LYS 95 3HZ LYS 95 18.047 -1.851 -5.989 782 HZ2 LYS 95 1HZ LYS 95 17.415 -1.842 -7.556 783 HZ3 LYS 95 2HZ LYS 95 16.895 -3.000 -6.445 784 H TYR 96 H TYR 96 10.264 -3.333 -6.112 785 HA TYR 96 HA TYR 96 11.091 -4.247 -3.427 786 HB2 TYR 96 2HB TYR 96 8.999 -2.182 -4.161 787 HB3 TYR 96 1HB TYR 96 9.585 -2.547 -2.541 788 HD1 TYR 96 HD1 TYR 96 12.041 -2.073 -2.020 789 HD2 TYR 96 HD2 TYR 96 10.082 -0.575 -5.491 790 HE1 TYR 96 HE1 TYR 96 13.785 -0.357 -2.260 791 HE2 TYR 96 HE2 TYR 96 11.823 1.139 -5.739 792 HH TYR 96 HH TYR 96 14.741 1.079 -3.936 793 H LYS 97 H LYS 97 9.528 -5.671 -5.676 794 HA LYS 97 HA LYS 97 6.848 -5.984 -5.069 795 HB2 LYS 97 2HB LYS 97 8.196 -6.782 -7.095 796 HB3 LYS 97 1HB LYS 97 8.583 -8.206 -6.139 797 HG2 LYS 97 2HG LYS 97 6.261 -8.819 -6.011 798 HG3 LYS 97 1HG LYS 97 5.781 -7.308 -6.790 799 HD2 LYS 97 2HD LYS 97 5.724 -9.092 -8.420 800 HD3 LYS 97 1HD LYS 97 7.037 -7.989 -8.814 801 HE2 LYS 97 2HE LYS 97 8.629 -9.530 -7.723 802 HE3 LYS 97 1HE LYS 97 7.303 -10.647 -7.404 803 HZ1 LYS 97 3HZ LYS 97 6.969 -10.891 -9.769 804 HZ2 LYS 97 1HZ LYS 97 8.574 -11.254 -9.377 805 HZ3 LYS 97 2HZ LYS 97 8.195 -9.774 -10.097 806 H TRP 98 H TRP 98 5.924 -6.633 -3.251 807 HA TRP 98 HA TRP 98 7.207 -7.804 -1.090 808 HB2 TRP 98 2HB TRP 98 5.152 -6.612 -0.748 809 HB3 TRP 98 1HB TRP 98 4.263 -7.727 -1.783 810 HD1 TRP 98 HD1 TRP 98 6.656 -8.763 1.072 811 HE1 TRP 98 HE1 TRP 98 5.325 -10.116 2.802 812 HE3 TRP 98 HE3 TRP 98 1.967 -8.252 -0.914 813 HZ2 TRP 98 HZ2 TRP 98 2.672 -10.867 3.263 814 HZ3 TRP 98 HZ3 TRP 98 0.078 -9.324 0.252 815 HH2 TRP 98 HH2 TRP 98 0.434 -10.609 2.316 816 H GLN 99 H GLN 99 8.044 -9.763 -0.845 817 HA GLN 99 HA GLN 99 6.335 -12.053 -1.555 818 HB2 GLN 99 2HB GLN 99 8.255 -13.438 -1.996 819 HB3 GLN 99 1HB GLN 99 8.376 -11.993 -2.987 820 HG2 GLN 99 2HG GLN 99 10.018 -11.056 -1.450 821 HG3 GLN 99 1HG GLN 99 9.871 -12.473 -0.411 822 HE21 GLN 99 1HE2 GLN 99 11.957 -13.163 -0.596 823 HE22 GLN 99 2HE2 GLN 99 12.652 -13.731 -2.071 824 HA PRO 100 HA PRO 100 6.741 -12.483 2.962 825 HB2 PRO 100 2HB PRO 100 4.615 -14.118 3.289 826 HB3 PRO 100 1HB PRO 100 4.423 -12.378 3.044 827 HG2 PRO 100 2HG PRO 100 4.172 -14.604 1.043 828 HG3 PRO 100 1HG PRO 100 3.106 -13.209 1.296 829 HD2 PRO 100 2HD PRO 100 4.984 -13.279 -0.669 830 HD3 PRO 100 1HD PRO 100 4.496 -11.774 0.134 831 H LEU 101 H LEU 101 7.176 -14.614 0.395 832 HA LEU 101 HA LEU 101 7.986 -16.838 2.156 833 HB2 LEU 101 2HB LEU 101 6.957 -17.026 -0.681 834 HB3 LEU 101 1HB LEU 101 7.384 -18.372 0.361 835 HG LEU 101 HG LEU 101 5.093 -16.452 0.854 836 HD11 LEU 101 1HD1 LEU 101 3.638 -18.309 0.258 837 HD12 LEU 101 2HD1 LEU 101 5.041 -19.315 -0.103 838 HD13 LEU 101 3HD1 LEU 101 4.698 -17.894 -1.089 839 HD21 LEU 101 3HD2 LEU 101 5.979 -17.326 2.937 840 HD22 LEU 101 1HD2 LEU 101 5.916 -18.972 2.304 841 HD23 LEU 101 2HD2 LEU 101 4.424 -18.076 2.585 842 H GLU 102 H GLU 102 10.165 -16.815 2.253 843 HA GLU 102 HA GLU 102 11.794 -16.144 -0.064 844 HB2 GLU 102 2HB GLU 102 12.325 -16.684 2.829 845 HB3 GLU 102 1HB GLU 102 13.640 -16.943 1.696 846 HG2 GLU 102 2HG GLU 102 13.773 -14.738 2.688 847 HG3 GLU 102 1HG GLU 102 13.482 -14.624 0.956 Start of MODEL 17 1 H1 MET 1 1H MET 1 -16.454 -4.726 13.967 2 H2 MET 1 2H MET 1 -17.291 -3.375 13.382 3 H3 MET 1 3H MET 1 -16.063 -3.178 14.526 4 HA MET 1 HA MET 1 -15.347 -2.541 12.300 5 HB2 MET 1 2HB MET 1 -13.796 -3.456 14.055 6 HB3 MET 1 1HB MET 1 -13.961 -5.039 13.307 7 HG2 MET 1 2HG MET 1 -11.900 -3.924 12.632 8 HG3 MET 1 1HG MET 1 -12.968 -4.200 11.256 9 HE1 MET 1 3HE MET 1 -10.406 -2.105 11.539 10 HE2 MET 1 1HE MET 1 -11.037 -0.779 10.560 11 HE3 MET 1 2HE MET 1 -11.244 -2.446 10.025 12 H ASP 2 H ASP 2 -15.853 -2.825 10.204 13 HA ASP 2 HA ASP 2 -17.285 -4.991 9.183 14 HB2 ASP 2 2HB ASP 2 -15.534 -3.035 7.674 15 HB3 ASP 2 1HB ASP 2 -16.766 -4.070 6.953 16 H GLN 3 H GLN 3 -16.767 -6.953 8.411 17 HA GLN 3 HA GLN 3 -14.260 -8.126 8.797 18 HB2 GLN 3 2HB GLN 3 -16.703 -8.942 7.257 19 HB3 GLN 3 1HB GLN 3 -15.240 -9.907 7.138 20 HG2 GLN 3 2HG GLN 3 -16.920 -10.679 8.841 21 HG3 GLN 3 1HG GLN 3 -15.281 -10.443 9.441 22 HE21 GLN 3 1HE2 GLN 3 -14.867 -8.757 10.860 23 HE22 GLN 3 2HE2 GLN 3 -16.123 -7.901 11.676 24 H PHE 4 H PHE 4 -15.593 -6.548 5.947 25 HA PHE 4 HA PHE 4 -13.649 -7.185 4.060 26 HB2 PHE 4 2HB PHE 4 -15.553 -5.899 3.370 27 HB3 PHE 4 1HB PHE 4 -15.184 -4.613 4.514 28 HD1 PHE 4 HD1 PHE 4 -13.648 -6.375 1.593 29 HD2 PHE 4 HD2 PHE 4 -14.125 -2.711 3.719 30 HE1 PHE 4 HE1 PHE 4 -12.368 -5.199 -0.148 31 HE2 PHE 4 HE2 PHE 4 -12.850 -1.532 1.976 32 HZ PHE 4 HZ PHE 4 -11.969 -2.775 0.041 33 H LEU 5 H LEU 5 -13.646 -4.490 6.380 34 HA LEU 5 HA LEU 5 -11.052 -3.536 5.799 35 HB2 LEU 5 2HB LEU 5 -12.634 -3.292 8.366 36 HB3 LEU 5 1HB LEU 5 -11.261 -2.301 7.907 37 HG LEU 5 HG LEU 5 -13.901 -2.368 6.424 38 HD11 LEU 5 1HD1 LEU 5 -14.160 -1.400 8.651 39 HD12 LEU 5 2HD1 LEU 5 -14.296 -0.162 7.401 40 HD13 LEU 5 3HD1 LEU 5 -12.812 -0.305 8.344 41 HD21 LEU 5 3HD2 LEU 5 -13.028 -0.391 5.269 42 HD22 LEU 5 1HD2 LEU 5 -12.001 -1.800 4.994 43 HD23 LEU 5 2HD2 LEU 5 -11.501 -0.552 6.135 44 H VAL 6 H VAL 6 -12.245 -5.761 8.309 45 HA VAL 6 HA VAL 6 -9.891 -6.152 9.741 46 HB VAL 6 HB VAL 6 -12.033 -8.226 9.187 47 HG11 VAL 6 1HG1 VAL 6 -9.983 -9.214 10.098 48 HG12 VAL 6 2HG1 VAL 6 -11.293 -9.267 11.278 49 HG13 VAL 6 3HG1 VAL 6 -10.011 -8.063 11.433 50 HG21 VAL 6 3HG2 VAL 6 -13.022 -7.482 11.311 51 HG22 VAL 6 1HG2 VAL 6 -12.977 -6.178 10.123 52 HG23 VAL 6 2HG2 VAL 6 -11.801 -6.215 11.436 53 H GLN 7 H GLN 7 -11.100 -8.045 6.965 54 HA GLN 7 HA GLN 7 -8.945 -9.869 6.921 55 HB2 GLN 7 2HB GLN 7 -10.960 -9.097 4.807 56 HB3 GLN 7 1HB GLN 7 -9.792 -10.394 4.597 57 HG2 GLN 7 2HG GLN 7 -11.847 -10.287 6.805 58 HG3 GLN 7 1HG GLN 7 -12.038 -11.169 5.289 59 HE21 GLN 7 1HE2 GLN 7 -10.340 -11.060 8.336 60 HE22 GLN 7 2HE2 GLN 7 -9.706 -12.664 8.261 61 H ILE 8 H ILE 8 -9.549 -6.984 4.854 62 HA ILE 8 HA ILE 8 -7.210 -7.303 3.311 63 HB ILE 8 HB ILE 8 -7.481 -4.976 2.593 64 HG12 ILE 8 2HG1 ILE 8 -9.674 -4.838 4.686 65 HG13 ILE 8 1HG1 ILE 8 -8.137 -3.982 4.753 66 HG21 ILE 8 1HG2 ILE 8 -8.834 -6.724 1.550 67 HG22 ILE 8 2HG2 ILE 8 -9.707 -5.192 1.601 68 HG23 ILE 8 3HG2 ILE 8 -10.103 -6.469 2.750 69 HD11 ILE 8 3HD1 ILE 8 -10.305 -3.573 2.704 70 HD12 ILE 8 1HD1 ILE 8 -8.764 -2.716 2.761 71 HD13 ILE 8 2HD1 ILE 8 -9.934 -2.514 4.064 72 H PHE 9 H PHE 9 -7.777 -5.317 6.233 73 HA PHE 9 HA PHE 9 -5.175 -4.246 6.416 74 HB2 PHE 9 2HB PHE 9 -7.207 -4.832 8.587 75 HB3 PHE 9 1HB PHE 9 -5.729 -3.914 8.846 76 HD1 PHE 9 HD1 PHE 9 -6.374 -2.813 5.751 77 HD2 PHE 9 HD2 PHE 9 -8.215 -2.704 9.597 78 HE1 PHE 9 HE1 PHE 9 -7.550 -0.747 5.129 79 HE2 PHE 9 HE2 PHE 9 -9.390 -0.634 8.972 80 HZ PHE 9 HZ PHE 9 -9.060 0.345 6.738 81 H ALA 10 H ALA 10 -6.596 -7.197 7.775 82 HA ALA 10 HA ALA 10 -4.497 -8.126 9.327 83 HB1 ALA 10 3HB ALA 10 -6.722 -9.174 9.258 84 HB2 ALA 10 1HB ALA 10 -5.436 -10.361 9.031 85 HB3 ALA 10 2HB ALA 10 -6.373 -9.798 7.646 86 H VAL 11 H VAL 11 -5.043 -8.684 5.841 87 HA VAL 11 HA VAL 11 -2.791 -10.340 5.427 88 HB VAL 11 HB VAL 11 -4.204 -8.553 3.426 89 HG11 VAL 11 1HG1 VAL 11 -2.363 -10.911 2.963 90 HG12 VAL 11 2HG1 VAL 11 -2.004 -9.221 2.604 91 HG13 VAL 11 3HG1 VAL 11 -3.276 -10.061 1.716 92 HG21 VAL 11 3HG2 VAL 11 -5.438 -10.582 2.806 93 HG22 VAL 11 1HG2 VAL 11 -5.717 -10.149 4.493 94 HG23 VAL 11 2HG2 VAL 11 -4.623 -11.473 4.093 95 H ILE 12 H ILE 12 -3.197 -6.826 5.156 96 HA ILE 12 HA ILE 12 -0.736 -6.163 4.016 97 HB ILE 12 HB ILE 12 -2.369 -4.568 6.001 98 HG12 ILE 12 2HG1 ILE 12 -2.329 -4.409 2.973 99 HG13 ILE 12 1HG1 ILE 12 -3.535 -5.301 3.893 100 HG21 ILE 12 1HG2 ILE 12 -0.124 -3.667 5.878 101 HG22 ILE 12 2HG2 ILE 12 -1.234 -2.591 5.030 102 HG23 ILE 12 3HG2 ILE 12 -0.183 -3.673 4.114 103 HD11 ILE 12 3HD1 ILE 12 -4.348 -3.122 3.180 104 HD12 ILE 12 1HD1 ILE 12 -3.049 -2.339 4.082 105 HD13 ILE 12 2HD1 ILE 12 -4.291 -3.256 4.939 106 H HIS 13 H HIS 13 -1.545 -6.785 7.417 107 HA HIS 13 HA HIS 13 0.798 -5.871 8.622 108 HB2 HIS 13 2HB HIS 13 -1.163 -8.017 9.381 109 HB3 HIS 13 1HB HIS 13 0.281 -7.759 10.353 110 HD2 HIS 13 HD2 HIS 13 -3.239 -6.430 10.048 111 HE1 HIS 13 HE1 HIS 13 -1.021 -3.579 12.263 112 HE2 HIS 13 HE2 HIS 13 -3.339 -4.451 11.726 113 H GLN 14 H GLN 14 0.541 -8.529 6.469 114 HA GLN 14 HA GLN 14 2.887 -9.896 7.516 115 HB2 GLN 14 2HB GLN 14 0.951 -10.456 5.312 116 HB3 GLN 14 1HB GLN 14 2.539 -11.202 5.234 117 HG2 GLN 14 2HG GLN 14 1.018 -12.736 6.251 118 HG3 GLN 14 1HG GLN 14 2.157 -12.176 7.471 119 HE21 GLN 14 1HE2 GLN 14 -0.598 -10.362 6.289 120 HE22 GLN 14 2HE2 GLN 14 -1.476 -10.394 7.775 121 H ILE 15 H ILE 15 2.388 -7.264 5.428 122 HA ILE 15 HA ILE 15 4.605 -7.692 3.661 123 HB ILE 15 HB ILE 15 3.270 -5.070 4.394 124 HG12 ILE 15 2HG1 ILE 15 2.683 -6.975 2.102 125 HG13 ILE 15 1HG1 ILE 15 1.648 -6.698 3.501 126 HG21 ILE 15 1HG2 ILE 15 4.173 -4.251 2.271 127 HG22 ILE 15 2HG2 ILE 15 4.967 -5.803 2.001 128 HG23 ILE 15 3HG2 ILE 15 5.464 -4.781 3.349 129 HD11 ILE 15 3HD1 ILE 15 1.371 -4.355 2.799 130 HD12 ILE 15 1HD1 ILE 15 0.805 -5.502 1.585 131 HD13 ILE 15 2HD1 ILE 15 2.354 -4.687 1.371 132 HA PRO 16 HA PRO 16 7.502 -6.632 6.962 133 HB2 PRO 16 2HB PRO 16 9.715 -7.653 5.858 134 HB3 PRO 16 1HB PRO 16 8.420 -8.701 6.453 135 HG2 PRO 16 2HG PRO 16 9.026 -7.852 3.641 136 HG3 PRO 16 1HG PRO 16 8.579 -9.455 4.252 137 HD2 PRO 16 2HD PRO 16 6.809 -7.695 3.079 138 HD3 PRO 16 1HD PRO 16 6.338 -8.972 4.218 139 H LYS 17 H LYS 17 9.796 -5.626 6.991 140 HA LYS 17 HA LYS 17 9.636 -3.005 6.028 141 HB2 LYS 17 2HB LYS 17 11.029 -3.904 7.967 142 HB3 LYS 17 1HB LYS 17 12.210 -4.404 6.768 143 HG2 LYS 17 2HG LYS 17 13.126 -2.388 7.201 144 HG3 LYS 17 1HG LYS 17 11.900 -1.799 6.073 145 HD2 LYS 17 2HD LYS 17 10.426 -1.231 7.898 146 HD3 LYS 17 1HD LYS 17 11.536 -1.952 9.067 147 HE2 LYS 17 2HE LYS 17 13.203 -0.275 8.602 148 HE3 LYS 17 1HE LYS 17 12.236 0.384 7.282 149 HZ1 LYS 17 3HZ LYS 17 10.582 1.088 8.846 150 HZ2 LYS 17 1HZ LYS 17 12.084 1.691 9.336 151 HZ3 LYS 17 2HZ LYS 17 11.408 0.363 10.131 152 H GLY 18 H GLY 18 10.532 -1.934 4.307 153 HA2 GLY 18 2HA GLY 18 11.719 -1.566 2.351 154 HA3 GLY 18 1HA GLY 18 12.361 -3.189 2.466 155 H LYS 19 H LYS 19 9.632 -4.392 2.606 156 HA LYS 19 HA LYS 19 9.299 -4.580 -0.271 157 HB2 LYS 19 2HB LYS 19 8.075 -6.137 2.008 158 HB3 LYS 19 1HB LYS 19 7.726 -6.447 0.313 159 HG2 LYS 19 2HG LYS 19 10.419 -6.683 1.651 160 HG3 LYS 19 1HG LYS 19 9.374 -8.012 1.143 161 HD2 LYS 19 2HD LYS 19 9.558 -7.036 -1.218 162 HD3 LYS 19 1HD LYS 19 10.865 -6.039 -0.583 163 HE2 LYS 19 2HE LYS 19 12.173 -7.963 -0.037 164 HE3 LYS 19 1HE LYS 19 10.827 -9.048 -0.376 165 HZ1 LYS 19 3HZ LYS 19 12.378 -9.075 -2.186 166 HZ2 LYS 19 1HZ LYS 19 12.302 -7.395 -2.355 167 HZ3 LYS 19 2HZ LYS 19 10.945 -8.342 -2.714 168 H VAL 20 H VAL 20 7.235 -4.568 -1.320 169 HA VAL 20 HA VAL 20 5.047 -3.124 -0.008 170 HB VAL 20 HB VAL 20 4.695 -1.658 -1.936 171 HG11 VAL 20 1HG1 VAL 20 6.066 -0.799 -0.108 172 HG12 VAL 20 2HG1 VAL 20 6.592 -0.140 -1.657 173 HG13 VAL 20 3HG1 VAL 20 7.520 -1.428 -0.887 174 HG21 VAL 20 3HG2 VAL 20 7.240 -2.847 -3.058 175 HG22 VAL 20 1HG2 VAL 20 6.364 -1.475 -3.738 176 HG23 VAL 20 2HG2 VAL 20 5.612 -3.069 -3.699 177 H SER 21 H SER 21 3.022 -3.209 -1.362 178 HA SER 21 HA SER 21 2.904 -5.296 -3.389 179 HB2 SER 21 2HB SER 21 2.539 -6.533 -1.267 180 HB3 SER 21 1HB SER 21 1.183 -5.468 -0.892 181 HG SER 21 HG SER 21 1.406 -7.467 -2.862 182 H THR 22 H THR 22 0.301 -5.509 -3.923 183 HA THR 22 HA THR 22 -0.517 -2.703 -4.404 184 HB THR 22 HB THR 22 -1.633 -3.447 -6.448 185 HG1 THR 22 HG1 THR 22 -0.431 -5.980 -6.325 186 HG21 THR 22 3HG2 THR 22 0.348 -4.015 -7.780 187 HG22 THR 22 1HG2 THR 22 1.233 -4.404 -6.305 188 HG23 THR 22 2HG2 THR 22 0.710 -2.747 -6.608 189 H TYR 23 H TYR 23 -2.804 -2.234 -4.554 190 HA TYR 23 HA TYR 23 -4.400 -3.180 -2.489 191 HB2 TYR 23 2HB TYR 23 -5.405 -2.037 -5.113 192 HB3 TYR 23 1HB TYR 23 -6.280 -2.072 -3.588 193 HD1 TYR 23 HD2 TYR 23 -4.735 -0.970 -1.574 194 HD2 TYR 23 HD1 TYR 23 -4.609 0.037 -5.711 195 HE1 TYR 23 HE2 TYR 23 -3.819 1.243 -1.007 196 HE2 TYR 23 HE1 TYR 23 -3.697 2.248 -5.151 197 HH TYR 23 HH TYR 23 -2.536 3.023 -2.030 198 H GLY 24 H GLY 24 -4.299 -4.217 -5.875 199 HA2 GLY 24 2HA GLY 24 -6.419 -6.063 -5.807 200 HA3 GLY 24 1HA GLY 24 -5.069 -6.103 -6.929 201 H GLU 25 H GLU 25 -2.917 -6.619 -5.311 202 HA GLU 25 HA GLU 25 -3.024 -9.370 -4.844 203 HB2 GLU 25 2HB GLU 25 -1.162 -7.226 -3.823 204 HB3 GLU 25 1HB GLU 25 -0.936 -8.920 -3.404 205 HG2 GLU 25 2HG GLU 25 -0.614 -9.522 -5.692 206 HG3 GLU 25 1HG GLU 25 -1.079 -7.913 -6.240 207 H ILE 26 H ILE 26 -3.130 -6.748 -2.404 208 HA ILE 26 HA ILE 26 -3.528 -8.376 -0.158 209 HB ILE 26 HB ILE 26 -4.504 -5.545 -0.624 210 HG12 ILE 26 2HG1 ILE 26 -2.074 -5.759 -0.898 211 HG13 ILE 26 1HG1 ILE 26 -2.447 -4.879 0.580 212 HG21 ILE 26 1HG2 ILE 26 -4.566 -5.341 1.822 213 HG22 ILE 26 2HG2 ILE 26 -4.141 -7.047 1.977 214 HG23 ILE 26 3HG2 ILE 26 -5.679 -6.583 1.248 215 HD11 ILE 26 3HD1 ILE 26 -2.015 -6.885 1.890 216 HD12 ILE 26 1HD1 ILE 26 -0.619 -6.440 0.909 217 HD13 ILE 26 2HD1 ILE 26 -1.655 -7.778 0.412 218 H ALA 27 H ALA 27 -5.960 -6.730 -2.193 219 HA ALA 27 HA ALA 27 -8.252 -7.532 -0.818 220 HB1 ALA 27 3HB ALA 27 -9.472 -7.004 -2.862 221 HB2 ALA 27 1HB ALA 27 -7.966 -7.016 -3.778 222 HB3 ALA 27 2HB ALA 27 -8.233 -5.792 -2.538 223 H LYS 28 H LYS 28 -6.674 -9.111 -3.604 224 HA LYS 28 HA LYS 28 -8.492 -11.245 -3.863 225 HB2 LYS 28 2HB LYS 28 -5.583 -11.040 -4.658 226 HB3 LYS 28 1HB LYS 28 -6.627 -12.381 -5.109 227 HG2 LYS 28 2HG LYS 28 -8.081 -10.857 -6.339 228 HG3 LYS 28 1HG LYS 28 -7.069 -9.496 -5.858 229 HD2 LYS 28 2HD LYS 28 -6.482 -10.112 -8.103 230 HD3 LYS 28 1HD LYS 28 -5.153 -10.568 -7.042 231 HE2 LYS 28 2HE LYS 28 -7.292 -12.490 -7.958 232 HE3 LYS 28 1HE LYS 28 -5.775 -12.253 -8.815 233 HZ1 LYS 28 3HZ LYS 28 -5.529 -14.133 -7.425 234 HZ2 LYS 28 1HZ LYS 28 -6.139 -13.325 -6.071 235 HZ3 LYS 28 2HZ LYS 28 -4.637 -12.893 -6.705 236 H MET 29 H MET 29 -5.520 -10.945 -1.950 237 HA MET 29 HA MET 29 -5.639 -13.684 -1.041 238 HB2 MET 29 2HB MET 29 -3.926 -11.346 -0.173 239 HB3 MET 29 1HB MET 29 -3.756 -12.978 0.464 240 HG2 MET 29 2HG MET 29 -3.283 -13.797 -1.809 241 HG3 MET 29 1HG MET 29 -3.400 -12.146 -2.415 242 HE1 MET 29 3HE MET 29 -0.330 -10.434 -0.669 243 HE2 MET 29 1HE MET 29 -2.002 -10.469 -0.114 244 HE3 MET 29 2HE MET 29 -1.645 -10.221 -1.824 245 H ALA 30 H ALA 30 -7.085 -10.732 -0.051 246 HA ALA 30 HA ALA 30 -7.667 -11.615 2.654 247 HB1 ALA 30 3HB ALA 30 -8.916 -9.544 2.855 248 HB2 ALA 30 1HB ALA 30 -8.782 -9.265 1.118 249 HB3 ALA 30 2HB ALA 30 -7.339 -9.228 2.131 250 H GLY 31 H GLY 31 -9.212 -11.634 -0.485 251 HA2 GLY 31 2HA GLY 31 -10.875 -13.388 -0.881 252 HA3 GLY 31 1HA GLY 31 -11.540 -13.031 0.703 253 H TYR 32 H TYR 32 -10.651 -10.229 -1.012 254 HA TYR 32 HA TYR 32 -13.386 -9.870 -2.076 255 HB2 TYR 32 2HB TYR 32 -11.782 -7.780 -0.569 256 HB3 TYR 32 1HB TYR 32 -13.373 -7.542 -1.278 257 HD1 TYR 32 HD2 TYR 32 -11.514 -9.225 1.438 258 HD2 TYR 32 HD1 TYR 32 -15.358 -8.289 -0.144 259 HE1 TYR 32 HE2 TYR 32 -12.552 -9.914 3.559 260 HE2 TYR 32 HE1 TYR 32 -16.399 -8.973 1.975 261 HH TYR 32 HH TYR 32 -16.021 -10.165 3.915 262 HA PRO 33 HA PRO 33 -9.856 -9.167 -5.180 263 HB2 PRO 33 2HB PRO 33 -11.977 -10.275 -6.966 264 HB3 PRO 33 1HB PRO 33 -10.249 -10.645 -6.901 265 HG2 PRO 33 2HG PRO 33 -12.017 -12.360 -5.911 266 HG3 PRO 33 1HG PRO 33 -10.489 -12.056 -5.060 267 HD2 PRO 33 2HD PRO 33 -13.239 -11.027 -4.446 268 HD3 PRO 33 1HD PRO 33 -11.973 -11.596 -3.337 269 H GLY 34 H GLY 34 -13.335 -8.616 -5.917 270 HA2 GLY 34 2HA GLY 34 -12.702 -6.427 -7.705 271 HA3 GLY 34 1HA GLY 34 -14.304 -7.000 -7.281 272 H TYR 35 H TYR 35 -11.742 -5.805 -5.109 273 HA TYR 35 HA TYR 35 -13.337 -3.412 -4.531 274 HB2 TYR 35 2HB TYR 35 -12.536 -5.509 -2.511 275 HB3 TYR 35 1HB TYR 35 -12.928 -3.861 -2.038 276 HD1 TYR 35 HD2 TYR 35 -15.216 -3.019 -2.226 277 HD2 TYR 35 HD1 TYR 35 -14.282 -7.040 -3.259 278 HE1 TYR 35 HE2 TYR 35 -17.606 -3.583 -2.165 279 HE2 TYR 35 HE1 TYR 35 -16.671 -7.612 -3.204 280 HH TYR 35 HH TYR 35 -18.733 -6.823 -2.253 281 H ALA 36 H ALA 36 -10.606 -4.035 -5.763 282 HA ALA 36 HA ALA 36 -8.505 -3.367 -4.063 283 HB1 ALA 36 3HB ALA 36 -7.268 -2.715 -6.081 284 HB2 ALA 36 1HB ALA 36 -8.773 -2.718 -7.001 285 HB3 ALA 36 2HB ALA 36 -8.155 -4.221 -6.317 286 H ARG 37 H ARG 37 -10.345 -1.125 -6.166 287 HA ARG 37 HA ARG 37 -9.194 1.270 -5.356 288 HB2 ARG 37 2HB ARG 37 -11.374 2.325 -6.034 289 HB3 ARG 37 1HB ARG 37 -10.673 1.250 -7.236 290 HG2 ARG 37 2HG ARG 37 -12.225 -0.514 -6.598 291 HG3 ARG 37 1HG ARG 37 -12.907 0.520 -5.343 292 HD2 ARG 37 2HD ARG 37 -13.737 2.067 -6.998 293 HD3 ARG 37 1HD ARG 37 -12.922 1.188 -8.290 294 HE ARG 37 HE ARG 37 -14.459 -0.695 -7.732 295 HH11 ARG 37 1HH1 ARG 37 -15.361 2.531 -6.924 296 HH12 ARG 37 2HH1 ARG 37 -17.056 2.187 -7.022 297 HH21 ARG 37 1HH2 ARG 37 -16.630 -1.104 -7.866 298 HH22 ARG 37 2HH2 ARG 37 -17.760 0.171 -7.556 299 H HIS 38 H HIS 38 -11.718 -0.606 -3.755 300 HA HIS 38 HA HIS 38 -12.418 1.427 -1.866 301 HB2 HIS 38 2HB HIS 38 -12.931 -1.558 -1.806 302 HB3 HIS 38 1HB HIS 38 -13.669 -0.380 -0.723 303 HD2 HIS 38 HD2 HIS 38 -14.144 -1.856 -4.226 304 HE1 HIS 38 HE1 HIS 38 -16.938 1.274 -3.744 305 HE2 HIS 38 HE2 HIS 38 -16.362 -0.808 -5.057 306 H VAL 39 H VAL 39 -10.226 -1.362 -1.803 307 HA VAL 39 HA VAL 39 -9.440 -1.278 0.877 308 HB VAL 39 HB VAL 39 -7.714 -1.941 -1.530 309 HG11 VAL 39 1HG1 VAL 39 -6.334 -1.507 0.431 310 HG12 VAL 39 2HG1 VAL 39 -6.335 -3.230 0.055 311 HG13 VAL 39 3HG1 VAL 39 -7.313 -2.619 1.390 312 HG21 VAL 39 3HG2 VAL 39 -8.284 -4.285 -1.022 313 HG22 VAL 39 1HG2 VAL 39 -9.710 -3.333 -1.434 314 HG23 VAL 39 2HG2 VAL 39 -9.377 -3.734 0.250 315 H GLY 40 H GLY 40 -8.082 0.477 -1.919 316 HA2 GLY 40 2HA GLY 40 -6.096 1.927 -0.584 317 HA3 GLY 40 1HA GLY 40 -6.908 2.450 -2.051 318 H LYS 41 H LYS 41 -9.484 2.873 -1.204 319 HA LYS 41 HA LYS 41 -9.359 5.379 0.081 320 HB2 LYS 41 2HB LYS 41 -11.711 3.522 -0.368 321 HB3 LYS 41 1HB LYS 41 -11.859 5.181 0.203 322 HG2 LYS 41 2HG LYS 41 -10.853 5.998 -1.868 323 HG3 LYS 41 1HG LYS 41 -10.670 4.339 -2.441 324 HD2 LYS 41 2HD LYS 41 -13.103 4.052 -2.405 325 HD3 LYS 41 1HD LYS 41 -13.294 5.702 -1.807 326 HE2 LYS 41 2HE LYS 41 -12.075 4.919 -4.460 327 HE3 LYS 41 1HE LYS 41 -13.706 5.546 -4.226 328 HZ1 LYS 41 3HZ LYS 41 -12.173 7.274 -4.945 329 HZ2 LYS 41 1HZ LYS 41 -11.197 7.008 -3.589 330 HZ3 LYS 41 2HZ LYS 41 -12.766 7.605 -3.395 331 H ALA 42 H ALA 42 -10.060 2.149 1.337 332 HA ALA 42 HA ALA 42 -10.767 2.897 3.966 333 HB1 ALA 42 3HB ALA 42 -11.182 0.661 3.040 334 HB2 ALA 42 1HB ALA 42 -10.295 0.578 4.561 335 HB3 ALA 42 2HB ALA 42 -9.447 0.344 3.032 336 H LEU 43 H LEU 43 -7.628 2.169 2.478 337 HA LEU 43 HA LEU 43 -6.084 2.409 4.860 338 HB2 LEU 43 2HB LEU 43 -5.249 2.721 1.971 339 HB3 LEU 43 1HB LEU 43 -4.150 2.550 3.328 340 HG LEU 43 HG LEU 43 -6.119 0.461 2.378 341 HD11 LEU 43 1HD1 LEU 43 -3.109 0.563 2.195 342 HD12 LEU 43 2HD1 LEU 43 -4.243 0.732 0.854 343 HD13 LEU 43 3HD1 LEU 43 -4.128 -0.798 1.723 344 HD21 LEU 43 3HD2 LEU 43 -4.064 0.333 4.592 345 HD22 LEU 43 1HD2 LEU 43 -5.056 -1.009 4.021 346 HD23 LEU 43 2HD2 LEU 43 -5.814 0.375 4.803 347 H GLY 44 H GLY 44 -6.980 4.697 2.309 348 HA2 GLY 44 2HA GLY 44 -5.395 6.874 3.140 349 HA3 GLY 44 1HA GLY 44 -6.874 6.991 2.202 350 H ASN 45 H ASN 45 -8.106 5.488 4.683 351 HA ASN 45 HA ASN 45 -8.877 7.944 6.063 352 HB2 ASN 45 2HB ASN 45 -10.589 6.294 5.300 353 HB3 ASN 45 1HB ASN 45 -9.920 5.119 6.425 354 HD21 ASN 45 1HD2 ASN 45 -10.272 8.554 7.093 355 HD22 ASN 45 2HD2 ASN 45 -11.478 8.366 8.312 356 H LEU 46 H LEU 46 -6.601 5.469 6.497 357 HA LEU 46 HA LEU 46 -6.707 5.106 9.305 358 HB2 LEU 46 2HB LEU 46 -4.480 4.699 7.312 359 HB3 LEU 46 1HB LEU 46 -4.339 4.267 9.007 360 HG LEU 46 HG LEU 46 -6.371 3.109 7.084 361 HD11 LEU 46 1HD1 LEU 46 -4.118 2.365 6.548 362 HD12 LEU 46 2HD1 LEU 46 -5.057 1.050 7.254 363 HD13 LEU 46 3HD1 LEU 46 -3.855 1.896 8.229 364 HD21 LEU 46 3HD2 LEU 46 -6.802 1.502 8.915 365 HD22 LEU 46 1HD2 LEU 46 -7.231 3.157 9.349 366 HD23 LEU 46 2HD2 LEU 46 -5.740 2.443 9.965 367 HA PRO 47 HA PRO 47 -4.998 8.976 10.633 368 HB2 PRO 47 2HB PRO 47 -4.644 8.409 13.246 369 HB3 PRO 47 1HB PRO 47 -6.249 8.594 12.532 370 HG2 PRO 47 2HG PRO 47 -4.735 6.079 13.150 371 HG3 PRO 47 1HG PRO 47 -6.441 6.460 13.456 372 HD2 PRO 47 2HD PRO 47 -5.606 4.980 11.323 373 HD3 PRO 47 1HD PRO 47 -7.065 5.991 11.287 374 H GLU 48 H GLU 48 -3.112 9.942 11.522 375 HA GLU 48 HA GLU 48 -0.668 8.876 10.634 376 HB2 GLU 48 2HB GLU 48 0.344 10.805 11.865 377 HB3 GLU 48 1HB GLU 48 -0.981 11.255 10.798 378 HG2 GLU 48 2HG GLU 48 -2.496 11.338 12.727 379 HG3 GLU 48 1HG GLU 48 -1.156 10.913 13.791 380 H GLY 49 H GLY 49 -2.363 8.170 13.502 381 HA2 GLY 49 2HA GLY 49 0.102 7.321 14.897 382 HA3 GLY 49 1HA GLY 49 -1.441 7.634 15.672 383 H SER 50 H SER 50 -1.615 5.812 12.740 384 HA SER 50 HA SER 50 -2.480 3.457 14.187 385 HB2 SER 50 2HB SER 50 -3.638 4.051 12.126 386 HB3 SER 50 1HB SER 50 -2.134 3.935 11.212 387 HG SER 50 HG SER 50 -3.526 2.047 11.100 388 H LYS 51 H LYS 51 -1.562 1.341 14.002 389 HA LYS 51 HA LYS 51 1.355 1.357 13.599 390 HB2 LYS 51 2HB LYS 51 0.270 0.584 15.798 391 HB3 LYS 51 1HB LYS 51 -0.237 -0.848 14.913 392 HG2 LYS 51 2HG LYS 51 2.139 -1.319 14.391 393 HG3 LYS 51 1HG LYS 51 2.599 0.075 15.368 394 HD2 LYS 51 2HD LYS 51 2.860 -1.868 16.731 395 HD3 LYS 51 1HD LYS 51 1.432 -1.009 17.311 396 HE2 LYS 51 2HE LYS 51 0.952 -3.367 17.239 397 HE3 LYS 51 1HE LYS 51 0.017 -2.561 15.982 398 HZ1 LYS 51 3HZ LYS 51 1.764 -3.239 14.388 399 HZ2 LYS 51 1HZ LYS 51 0.963 -4.551 15.096 400 HZ3 LYS 51 2HZ LYS 51 2.511 -4.126 15.616 401 H LEU 52 H LEU 52 -1.202 0.807 11.747 402 HA LEU 52 HA LEU 52 -0.248 -1.641 10.447 403 HB2 LEU 52 2HB LEU 52 -2.632 -1.511 10.742 404 HB3 LEU 52 1HB LEU 52 -2.691 0.091 10.032 405 HG LEU 52 HG LEU 52 -2.044 -0.881 7.838 406 HD11 LEU 52 1HD1 LEU 52 -0.861 -2.868 8.642 407 HD12 LEU 52 2HD1 LEU 52 -2.128 -3.287 7.492 408 HD13 LEU 52 3HD1 LEU 52 -2.384 -3.545 9.218 409 HD21 LEU 52 3HD2 LEU 52 -4.390 -0.493 8.399 410 HD22 LEU 52 1HD2 LEU 52 -4.499 -2.112 9.090 411 HD23 LEU 52 2HD2 LEU 52 -4.203 -1.907 7.361 412 HA PRO 53 HA PRO 53 1.977 1.125 7.635 413 HB2 PRO 53 2HB PRO 53 3.339 -0.788 6.283 414 HB3 PRO 53 1HB PRO 53 3.813 -0.258 7.901 415 HG2 PRO 53 2HG PRO 53 2.253 -2.685 7.083 416 HG3 PRO 53 1HG PRO 53 3.553 -2.547 8.281 417 HD2 PRO 53 2HD PRO 53 0.910 -2.611 8.955 418 HD3 PRO 53 1HD PRO 53 2.132 -1.752 9.915 419 H TRP 54 H TRP 54 0.135 1.807 6.462 420 HA TRP 54 HA TRP 54 -0.975 0.081 4.398 421 HB2 TRP 54 2HB TRP 54 -2.530 1.972 3.994 422 HB3 TRP 54 1HB TRP 54 -2.518 1.447 5.673 423 HD1 TRP 54 HD1 TRP 54 -1.511 3.152 7.492 424 HE1 TRP 54 HE1 TRP 54 -1.080 5.687 7.410 425 HE3 TRP 54 HE3 TRP 54 -1.815 3.870 2.437 426 HZ2 TRP 54 HZ2 TRP 54 -0.886 7.721 5.466 427 HZ3 TRP 54 HZ3 TRP 54 -1.501 6.142 1.549 428 HH2 TRP 54 HH2 TRP 54 -1.047 8.026 3.033 429 H PHE 55 H PHE 55 1.278 2.691 4.660 430 HA PHE 55 HA PHE 55 1.250 3.717 2.071 431 HB2 PHE 55 2HB PHE 55 3.619 4.418 2.556 432 HB3 PHE 55 1HB PHE 55 2.434 4.901 3.761 433 HD1 PHE 55 HD2 PHE 55 2.440 3.916 5.986 434 HD2 PHE 55 HD1 PHE 55 5.330 2.775 3.074 435 HE1 PHE 55 HE2 PHE 55 3.815 2.902 7.751 436 HE2 PHE 55 HE1 PHE 55 6.709 1.763 4.837 437 HZ PHE 55 HZ PHE 55 5.955 1.823 7.178 438 H ARG 56 H ARG 56 2.449 0.667 3.176 439 HA ARG 56 HA ARG 56 4.193 0.238 0.912 440 HB2 ARG 56 2HB ARG 56 3.226 -1.638 3.080 441 HB3 ARG 56 1HB ARG 56 4.363 -2.096 1.817 442 HG2 ARG 56 2HG ARG 56 5.872 -0.273 2.607 443 HG3 ARG 56 1HG ARG 56 4.766 -0.012 3.955 444 HD2 ARG 56 2HD ARG 56 5.171 -2.235 4.790 445 HD3 ARG 56 1HD ARG 56 6.126 -2.645 3.366 446 HE ARG 56 HE ARG 56 7.008 -1.213 5.681 447 HH11 ARG 56 1HH1 ARG 56 7.542 -1.722 2.319 448 HH12 ARG 56 2HH1 ARG 56 9.158 -1.122 2.365 449 HH21 ARG 56 1HH2 ARG 56 9.101 -0.454 5.744 450 HH22 ARG 56 2HH2 ARG 56 10.035 -0.393 4.288 451 H VAL 57 H VAL 57 0.967 0.452 0.968 452 HA VAL 57 HA VAL 57 0.599 -1.716 -1.009 453 HB VAL 57 HB VAL 57 -1.611 -0.360 0.554 454 HG11 VAL 57 1HG1 VAL 57 -2.314 -1.365 -1.558 455 HG12 VAL 57 2HG1 VAL 57 -2.956 -2.274 -0.191 456 HG13 VAL 57 3HG1 VAL 57 -1.572 -2.895 -1.091 457 HG21 VAL 57 3HG2 VAL 57 -0.265 -3.005 1.131 458 HG22 VAL 57 1HG2 VAL 57 -1.696 -2.378 1.951 459 HG23 VAL 57 2HG2 VAL 57 -0.150 -1.547 2.115 460 H ILE 58 H ILE 58 0.713 -0.935 -3.005 461 HA ILE 58 HA ILE 58 -0.520 1.680 -3.638 462 HB ILE 58 HB ILE 58 1.097 1.796 -5.547 463 HG12 ILE 58 2HG1 ILE 58 2.365 -0.574 -4.137 464 HG13 ILE 58 1HG1 ILE 58 1.626 -0.591 -5.735 465 HG21 ILE 58 1HG2 ILE 58 3.001 2.509 -4.185 466 HG22 ILE 58 2HG2 ILE 58 2.338 1.646 -2.795 467 HG23 ILE 58 3HG2 ILE 58 1.475 3.030 -3.467 468 HD11 ILE 58 3HD1 ILE 58 3.357 0.961 -6.528 469 HD12 ILE 58 1HD1 ILE 58 4.025 -0.552 -5.920 470 HD13 ILE 58 2HD1 ILE 58 4.110 0.903 -4.935 471 H ASN 59 H ASN 59 -0.520 1.511 -6.435 472 HA ASN 59 HA ASN 59 -2.663 -0.462 -6.760 473 HB2 ASN 59 2HB ASN 59 -3.241 0.771 -8.822 474 HB3 ASN 59 1HB ASN 59 -3.234 1.801 -7.398 475 HD21 ASN 59 1HD2 ASN 59 -2.956 3.663 -8.564 476 HD22 ASN 59 2HD2 ASN 59 -1.483 4.062 -9.366 477 H SER 60 H SER 60 -2.850 -1.493 -8.993 478 HA SER 60 HA SER 60 -0.757 -3.331 -9.288 479 HB2 SER 60 2HB SER 60 -1.957 -4.103 -11.313 480 HB3 SER 60 1HB SER 60 -3.055 -3.840 -9.958 481 HG SER 60 HG SER 60 -3.762 -2.964 -12.023 482 H GLN 61 H GLN 61 -1.059 -0.183 -10.648 483 HA GLN 61 HA GLN 61 0.753 -0.686 -12.865 484 HB2 GLN 61 2HB GLN 61 -0.400 1.914 -11.822 485 HB3 GLN 61 1HB GLN 61 0.507 1.727 -13.318 486 HG2 GLN 61 2HG GLN 61 -2.157 0.463 -12.690 487 HG3 GLN 61 1HG GLN 61 -1.885 1.855 -13.736 488 HE21 GLN 61 1HE2 GLN 61 -3.095 -0.727 -14.343 489 HE22 GLN 61 2HE2 GLN 61 -2.169 -1.396 -15.640 490 H GLY 62 H GLY 62 1.323 -0.558 -9.694 491 HA2 GLY 62 2HA GLY 62 3.207 -0.183 -8.432 492 HA3 GLY 62 1HA GLY 62 4.078 0.106 -9.930 493 H LYS 63 H LYS 63 1.277 1.876 -8.697 494 HA LYS 63 HA LYS 63 2.960 4.279 -8.381 495 HB2 LYS 63 2HB LYS 63 0.280 4.131 -9.781 496 HB3 LYS 63 1HB LYS 63 1.147 5.617 -9.425 497 HG2 LYS 63 2HG LYS 63 2.960 4.931 -10.904 498 HG3 LYS 63 1HG LYS 63 2.129 3.405 -11.224 499 HD2 LYS 63 2HD LYS 63 1.753 5.009 -13.036 500 HD3 LYS 63 1HD LYS 63 0.246 4.617 -12.205 501 HE2 LYS 63 2HE LYS 63 0.473 6.712 -10.890 502 HE3 LYS 63 1HE LYS 63 1.919 7.108 -11.819 503 HZ1 LYS 63 3HZ LYS 63 -0.060 8.227 -12.664 504 HZ2 LYS 63 1HZ LYS 63 -0.797 6.734 -12.957 505 HZ3 LYS 63 2HZ LYS 63 0.588 7.175 -13.820 506 H ILE 64 H ILE 64 2.129 5.899 -7.000 507 HA ILE 64 HA ILE 64 0.499 5.004 -4.806 508 HB ILE 64 HB ILE 64 1.687 7.718 -5.457 509 HG12 ILE 64 2HG1 ILE 64 2.559 5.559 -3.510 510 HG13 ILE 64 1HG1 ILE 64 3.360 5.970 -5.024 511 HG21 ILE 64 1HG2 ILE 64 0.393 6.795 -2.891 512 HG22 ILE 64 2HG2 ILE 64 -0.275 7.973 -4.021 513 HG23 ILE 64 3HG2 ILE 64 1.209 8.339 -3.142 514 HD11 ILE 64 3HD1 ILE 64 3.095 7.757 -2.614 515 HD12 ILE 64 1HD1 ILE 64 3.875 8.192 -4.135 516 HD13 ILE 64 2HD1 ILE 64 4.548 6.903 -3.136 517 H SER 65 H SER 65 -1.636 4.765 -5.222 518 HA SER 65 HA SER 65 -3.067 6.137 -7.228 519 HB2 SER 65 2HB SER 65 -3.770 3.938 -6.343 520 HB3 SER 65 1HB SER 65 -4.189 4.699 -4.808 521 HG SER 65 HG SER 65 -5.828 5.809 -5.806 522 H LEU 66 H LEU 66 -2.428 6.947 -3.914 523 HA LEU 66 HA LEU 66 -4.467 8.947 -3.665 524 HB2 LEU 66 2HB LEU 66 -1.924 8.541 -2.081 525 HB3 LEU 66 1HB LEU 66 -3.222 9.639 -1.647 526 HG LEU 66 HG LEU 66 -3.400 6.623 -1.771 527 HD11 LEU 66 1HD1 LEU 66 -2.169 7.453 0.165 528 HD12 LEU 66 2HD1 LEU 66 -3.722 6.767 0.640 529 HD13 LEU 66 3HD1 LEU 66 -3.515 8.518 0.577 530 HD21 LEU 66 3HD2 LEU 66 -5.671 6.901 -0.873 531 HD22 LEU 66 1HD2 LEU 66 -5.508 7.610 -2.478 532 HD23 LEU 66 2HD2 LEU 66 -5.525 8.651 -1.055 533 H LYS 67 H LYS 67 -4.229 11.219 -3.772 534 HA LYS 67 HA LYS 67 -1.803 12.172 -5.147 535 HB2 LYS 67 2HB LYS 67 -3.111 13.353 -6.811 536 HB3 LYS 67 1HB LYS 67 -3.504 11.642 -6.847 537 HG2 LYS 67 2HG LYS 67 -5.516 12.215 -5.405 538 HG3 LYS 67 1HG LYS 67 -5.164 13.905 -5.765 539 HD2 LYS 67 2HD LYS 67 -5.827 11.727 -7.760 540 HD3 LYS 67 1HD LYS 67 -6.859 13.074 -7.288 541 HE2 LYS 67 2HE LYS 67 -5.987 13.751 -9.341 542 HE3 LYS 67 1HE LYS 67 -4.957 14.577 -8.174 543 HZ1 LYS 67 3HZ LYS 67 -3.731 13.535 -10.026 544 HZ2 LYS 67 1HZ LYS 67 -4.259 12.015 -9.510 545 HZ3 LYS 67 2HZ LYS 67 -3.249 12.939 -8.521 546 H GLY 68 H GLY 68 -1.894 14.669 -5.397 547 HA2 GLY 68 2HA GLY 68 -1.854 16.709 -4.343 548 HA3 GLY 68 1HA GLY 68 -3.353 16.236 -3.560 549 H ARG 69 H ARG 69 -3.222 16.345 -1.409 550 HA ARG 69 HA ARG 69 -0.725 16.496 -0.025 551 HB2 ARG 69 2HB ARG 69 -3.469 16.068 1.182 552 HB3 ARG 69 1HB ARG 69 -2.047 16.727 1.986 553 HG2 ARG 69 2HG ARG 69 -2.117 18.686 0.529 554 HG3 ARG 69 1HG ARG 69 -3.520 18.021 -0.307 555 HD2 ARG 69 2HD ARG 69 -4.693 18.017 1.938 556 HD3 ARG 69 1HD ARG 69 -3.338 18.970 2.548 557 HE ARG 69 HE ARG 69 -4.991 19.870 0.278 558 HH11 ARG 69 1HH1 ARG 69 -3.529 20.468 3.341 559 HH12 ARG 69 2HH1 ARG 69 -3.999 22.129 3.352 560 HH21 ARG 69 1HH2 ARG 69 -5.597 21.983 0.321 561 HH22 ARG 69 2HH2 ARG 69 -5.156 22.979 1.665 562 H ASP 70 H ASP 70 -3.062 13.930 -0.586 563 HA ASP 70 HA ASP 70 -1.995 12.134 1.366 564 HB2 ASP 70 2HB ASP 70 -3.798 11.604 -1.003 565 HB3 ASP 70 1HB ASP 70 -3.435 10.439 0.267 566 H LEU 71 H LEU 71 -1.031 12.974 -1.831 567 HA LEU 71 HA LEU 71 0.273 10.560 -2.552 568 HB2 LEU 71 2HB LEU 71 -0.282 12.541 -4.063 569 HB3 LEU 71 1HB LEU 71 1.134 13.330 -3.400 570 HG LEU 71 HG LEU 71 1.332 10.632 -4.744 571 HD11 LEU 71 1HD1 LEU 71 1.922 11.786 -6.824 572 HD12 LEU 71 2HD1 LEU 71 1.503 13.332 -6.084 573 HD13 LEU 71 3HD1 LEU 71 0.257 12.110 -6.342 574 HD21 LEU 71 3HD2 LEU 71 3.342 12.857 -4.325 575 HD22 LEU 71 1HD2 LEU 71 3.653 11.321 -5.135 576 HD23 LEU 71 2HD2 LEU 71 3.263 11.347 -3.417 577 H ASP 72 H ASP 72 1.624 13.595 -1.188 578 HA ASP 72 HA ASP 72 4.150 12.465 -0.572 579 HB2 ASP 72 2HB ASP 72 2.767 14.924 0.513 580 HB3 ASP 72 1HB ASP 72 4.435 14.489 0.880 581 H ARG 73 H ARG 73 1.119 12.543 1.142 582 HA ARG 73 HA ARG 73 1.841 11.807 3.715 583 HB2 ARG 73 2HB ARG 73 -0.450 12.291 2.902 584 HB3 ARG 73 1HB ARG 73 -0.458 10.766 2.040 585 HG2 ARG 73 2HG ARG 73 -0.361 9.560 4.173 586 HG3 ARG 73 1HG ARG 73 -0.360 11.105 5.037 587 HD2 ARG 73 2HD ARG 73 -2.533 11.667 4.085 588 HD3 ARG 73 1HD ARG 73 -2.529 10.180 3.140 589 HE ARG 73 HE ARG 73 -2.328 9.713 5.960 590 HH11 ARG 73 1HH1 ARG 73 -4.536 10.448 3.412 591 HH12 ARG 73 2HH1 ARG 73 -5.864 9.660 4.191 592 HH21 ARG 73 1HH2 ARG 73 -4.076 8.717 6.960 593 HH22 ARG 73 2HH2 ARG 73 -5.606 8.698 6.156 594 H GLN 74 H GLN 74 0.936 9.502 1.123 595 HA GLN 74 HA GLN 74 2.029 7.222 2.420 596 HB2 GLN 74 2HB GLN 74 0.261 6.967 0.802 597 HB3 GLN 74 1HB GLN 74 1.225 7.727 -0.453 598 HG2 GLN 74 2HG GLN 74 2.644 5.849 -0.643 599 HG3 GLN 74 1HG GLN 74 2.045 5.151 0.860 600 HE21 GLN 74 1HE2 GLN 74 1.568 3.221 -0.252 601 HE22 GLN 74 2HE2 GLN 74 0.178 3.083 -1.261 602 H LYS 75 H LYS 75 3.247 9.258 -0.230 603 HA LYS 75 HA LYS 75 5.581 7.943 -0.881 604 HB2 LYS 75 2HB LYS 75 4.929 9.738 -2.246 605 HB3 LYS 75 1HB LYS 75 4.829 10.852 -0.893 606 HG2 LYS 75 2HG LYS 75 7.244 10.922 -0.718 607 HG3 LYS 75 1HG LYS 75 7.396 9.703 -1.988 608 HD2 LYS 75 2HD LYS 75 6.423 11.219 -3.613 609 HD3 LYS 75 1HD LYS 75 6.118 12.420 -2.357 610 HE2 LYS 75 2HE LYS 75 8.869 11.421 -3.089 611 HE3 LYS 75 1HE LYS 75 8.136 12.863 -3.789 612 HZ1 LYS 75 3HZ LYS 75 8.787 12.418 -0.924 613 HZ2 LYS 75 1HZ LYS 75 7.950 13.763 -1.516 614 HZ3 LYS 75 2HZ LYS 75 9.545 13.491 -1.985 615 H GLN 76 H GLN 76 5.221 10.445 1.646 616 HA GLN 76 HA GLN 76 7.982 10.385 2.348 617 HB2 GLN 76 2HB GLN 76 5.566 11.560 3.718 618 HB3 GLN 76 1HB GLN 76 7.197 11.720 4.357 619 HG2 GLN 76 2HG GLN 76 7.909 12.953 2.432 620 HG3 GLN 76 1HG GLN 76 6.393 12.624 1.597 621 HE21 GLN 76 1HE2 GLN 76 4.729 13.112 3.905 622 HE22 GLN 76 2HE2 GLN 76 4.750 14.816 4.171 623 H LYS 77 H LYS 77 5.115 8.709 3.602 624 HA LYS 77 HA LYS 77 6.396 7.484 5.814 625 HB2 LYS 77 2HB LYS 77 4.091 6.564 4.087 626 HB3 LYS 77 1HB LYS 77 4.617 5.707 5.529 627 HG2 LYS 77 2HG LYS 77 3.640 8.562 5.468 628 HG3 LYS 77 1HG LYS 77 2.672 7.158 5.932 629 HD2 LYS 77 2HD LYS 77 4.238 6.706 7.780 630 HD3 LYS 77 1HD LYS 77 5.183 8.124 7.323 631 HE2 LYS 77 2HE LYS 77 3.227 9.551 7.760 632 HE3 LYS 77 1HE LYS 77 2.302 8.126 8.232 633 HZ1 LYS 77 3HZ LYS 77 3.929 7.752 10.018 634 HZ2 LYS 77 1HZ LYS 77 3.137 9.240 10.173 635 HZ3 LYS 77 2HZ LYS 77 4.719 9.187 9.590 636 H LEU 78 H LEU 78 6.276 6.641 2.392 637 HA LEU 78 HA LEU 78 7.675 4.165 2.576 638 HB2 LEU 78 2HB LEU 78 7.299 6.122 0.307 639 HB3 LEU 78 1HB LEU 78 8.079 4.562 0.115 640 HG LEU 78 HG LEU 78 5.257 4.825 1.154 641 HD11 LEU 78 1HD1 LEU 78 6.147 4.470 -1.708 642 HD12 LEU 78 2HD1 LEU 78 5.314 5.872 -1.039 643 HD13 LEU 78 3HD1 LEU 78 4.490 4.315 -1.121 644 HD21 LEU 78 3HD2 LEU 78 5.093 2.493 0.439 645 HD22 LEU 78 1HD2 LEU 78 6.399 2.708 1.602 646 HD23 LEU 78 2HD2 LEU 78 6.765 2.535 -0.114 647 H GLU 79 H GLU 79 8.734 7.466 1.750 648 HA GLU 79 HA GLU 79 11.465 6.971 1.441 649 HB2 GLU 79 2HB GLU 79 9.951 9.428 2.328 650 HB3 GLU 79 1HB GLU 79 11.699 9.434 2.133 651 HG2 GLU 79 2HG GLU 79 9.848 8.605 -0.089 652 HG3 GLU 79 1HG GLU 79 10.298 10.287 0.183 653 H ALA 80 H ALA 80 9.565 7.425 4.364 654 HA ALA 80 HA ALA 80 11.618 7.642 6.253 655 HB1 ALA 80 3HB ALA 80 8.971 6.215 6.550 656 HB2 ALA 80 1HB ALA 80 9.250 7.939 6.802 657 HB3 ALA 80 2HB ALA 80 10.009 6.757 7.870 658 H GLU 81 H GLU 81 10.363 4.814 4.564 659 HA GLU 81 HA GLU 81 11.986 2.959 6.118 660 HB2 GLU 81 2HB GLU 81 10.295 2.431 3.662 661 HB3 GLU 81 1HB GLU 81 10.952 1.225 4.758 662 HG2 GLU 81 2HG GLU 81 8.981 3.328 5.589 663 HG3 GLU 81 1HG GLU 81 8.517 1.728 5.041 664 H GLY 82 H GLY 82 12.455 4.927 3.412 665 HA2 GLY 82 2HA GLY 82 14.382 5.177 2.128 666 HA3 GLY 82 1HA GLY 82 15.006 3.685 2.813 667 H ILE 83 H ILE 83 12.165 4.563 0.830 668 HA ILE 83 HA ILE 83 12.853 2.364 -1.031 669 HB ILE 83 HB ILE 83 10.118 3.473 -0.327 670 HG12 ILE 83 2HG1 ILE 83 11.377 0.771 0.246 671 HG13 ILE 83 1HG1 ILE 83 11.096 2.044 1.429 672 HG21 ILE 83 1HG2 ILE 83 10.189 2.829 -2.670 673 HG22 ILE 83 2HG2 ILE 83 9.219 1.679 -1.750 674 HG23 ILE 83 3HG2 ILE 83 10.860 1.255 -2.241 675 HD11 ILE 83 3HD1 ILE 83 8.983 0.526 -0.085 676 HD12 ILE 83 1HD1 ILE 83 8.684 1.830 1.066 677 HD13 ILE 83 2HD1 ILE 83 9.419 0.323 1.611 678 H GLU 84 H GLU 84 12.983 2.823 -3.223 679 HA GLU 84 HA GLU 84 13.300 5.527 -4.022 680 HB2 GLU 84 2HB GLU 84 12.987 3.053 -5.736 681 HB3 GLU 84 1HB GLU 84 13.521 4.622 -6.320 682 HG2 GLU 84 2HG GLU 84 15.476 4.470 -4.806 683 HG3 GLU 84 1HG GLU 84 14.952 2.852 -4.345 684 H VAL 85 H VAL 85 11.362 6.665 -3.611 685 HA VAL 85 HA VAL 85 8.994 5.947 -5.163 686 HB VAL 85 HB VAL 85 9.450 8.404 -3.445 687 HG11 VAL 85 1HG1 VAL 85 6.920 7.187 -4.575 688 HG12 VAL 85 2HG1 VAL 85 7.657 8.719 -5.048 689 HG13 VAL 85 3HG1 VAL 85 6.978 8.532 -3.432 690 HG21 VAL 85 3HG2 VAL 85 8.143 5.770 -2.729 691 HG22 VAL 85 1HG2 VAL 85 8.143 7.215 -1.717 692 HG23 VAL 85 2HG2 VAL 85 9.661 6.397 -2.084 693 H SER 86 H SER 86 9.255 6.316 -7.314 694 HA SER 86 HA SER 86 10.879 8.331 -8.435 695 HB2 SER 86 2HB SER 86 8.632 6.749 -9.697 696 HB3 SER 86 1HB SER 86 9.768 7.755 -10.591 697 HG SER 86 HG SER 86 10.094 5.276 -10.091 698 H GLU 87 H GLU 87 10.053 9.941 -10.041 699 HA GLU 87 HA GLU 87 9.344 12.173 -8.797 700 HB2 GLU 87 2HB GLU 87 10.129 12.120 -11.080 701 HB3 GLU 87 1HB GLU 87 8.613 11.425 -11.627 702 HG2 GLU 87 2HG GLU 87 7.469 13.524 -10.897 703 HG3 GLU 87 1HG GLU 87 9.061 14.205 -10.561 704 H ILE 88 H ILE 88 6.803 10.341 -10.578 705 HA ILE 88 HA ILE 88 4.790 12.111 -9.389 706 HB ILE 88 HB ILE 88 3.203 10.887 -10.972 707 HG12 ILE 88 2HG1 ILE 88 4.420 9.893 -12.995 708 HG13 ILE 88 1HG1 ILE 88 5.848 9.799 -11.976 709 HG21 ILE 88 1HG2 ILE 88 5.499 12.465 -12.138 710 HG22 ILE 88 2HG2 ILE 88 4.048 13.132 -11.389 711 HG23 ILE 88 3HG2 ILE 88 3.925 12.224 -12.895 712 HD11 ILE 88 3HD1 ILE 88 4.692 8.282 -10.477 713 HD12 ILE 88 1HD1 ILE 88 4.677 7.673 -12.131 714 HD13 ILE 88 2HD1 ILE 88 3.229 8.417 -11.452 715 H GLY 89 H GLY 89 6.146 9.948 -7.850 716 HA2 GLY 89 2HA GLY 89 5.478 8.598 -6.086 717 HA3 GLY 89 1HA GLY 89 3.807 8.845 -6.569 718 H LYS 90 H LYS 90 6.592 7.458 -8.317 719 HA LYS 90 HA LYS 90 4.966 5.013 -8.734 720 HB2 LYS 90 2HB LYS 90 5.437 6.193 -10.808 721 HB3 LYS 90 1HB LYS 90 7.156 6.184 -10.465 722 HG2 LYS 90 2HG LYS 90 7.150 3.722 -10.602 723 HG3 LYS 90 1HG LYS 90 5.434 3.772 -11.011 724 HD2 LYS 90 2HD LYS 90 5.874 4.911 -13.065 725 HD3 LYS 90 1HD LYS 90 7.559 5.192 -12.616 726 HE2 LYS 90 2HE LYS 90 6.278 2.516 -13.192 727 HE3 LYS 90 1HE LYS 90 7.408 3.382 -14.232 728 HZ1 LYS 90 3HZ LYS 90 7.973 2.227 -11.561 729 HZ2 LYS 90 1HZ LYS 90 9.050 3.221 -12.403 730 HZ3 LYS 90 2HZ LYS 90 8.604 1.723 -13.042 731 H ILE 91 H ILE 91 5.742 3.067 -8.091 732 HA ILE 91 HA ILE 91 8.435 3.018 -6.867 733 HB ILE 91 HB ILE 91 6.020 1.398 -6.024 734 HG12 ILE 91 2HG1 ILE 91 7.268 3.807 -4.668 735 HG13 ILE 91 1HG1 ILE 91 5.770 3.843 -5.589 736 HG21 ILE 91 1HG2 ILE 91 7.376 0.846 -4.045 737 HG22 ILE 91 2HG2 ILE 91 8.735 1.734 -4.737 738 HG23 ILE 91 3HG2 ILE 91 8.131 0.284 -5.537 739 HD11 ILE 91 3HD1 ILE 91 6.286 2.407 -2.998 740 HD12 ILE 91 1HD1 ILE 91 4.824 2.208 -3.965 741 HD13 ILE 91 2HD1 ILE 91 5.217 3.783 -3.286 742 H ALA 92 H ALA 92 9.820 1.409 -7.418 743 HA ALA 92 HA ALA 92 9.253 -0.241 -9.676 744 HB1 ALA 92 3HB ALA 92 11.519 -1.077 -9.405 745 HB2 ALA 92 1HB ALA 92 11.620 -0.349 -7.802 746 HB3 ALA 92 2HB ALA 92 11.492 0.678 -9.232 747 H LEU 93 H LEU 93 7.603 -1.682 -9.221 748 HA LEU 93 HA LEU 93 7.233 -3.154 -6.909 749 HB2 LEU 93 2HB LEU 93 6.447 -3.762 -9.753 750 HB3 LEU 93 1HB LEU 93 5.964 -4.783 -8.407 751 HG LEU 93 HG LEU 93 5.254 -1.856 -8.745 752 HD11 LEU 93 1HD1 LEU 93 3.556 -4.341 -9.000 753 HD12 LEU 93 2HD1 LEU 93 4.042 -3.262 -10.310 754 HD13 LEU 93 3HD1 LEU 93 2.962 -2.679 -9.042 755 HD21 LEU 93 3HD2 LEU 93 4.423 -3.831 -6.613 756 HD22 LEU 93 1HD2 LEU 93 3.807 -2.189 -6.798 757 HD23 LEU 93 2HD2 LEU 93 5.502 -2.452 -6.392 758 H ARG 94 H ARG 94 8.862 -4.376 -9.889 759 HA ARG 94 HA ARG 94 9.457 -6.914 -8.924 760 HB2 ARG 94 2HB ARG 94 10.871 -5.185 -10.946 761 HB3 ARG 94 1HB ARG 94 11.443 -6.805 -10.559 762 HG2 ARG 94 2HG ARG 94 9.244 -7.714 -11.218 763 HG3 ARG 94 1HG ARG 94 8.728 -6.086 -11.671 764 HD2 ARG 94 2HD ARG 94 10.364 -5.970 -13.410 765 HD3 ARG 94 1HD ARG 94 11.153 -7.443 -12.850 766 HE ARG 94 HE ARG 94 8.627 -8.247 -13.441 767 HH11 ARG 94 1HH1 ARG 94 11.009 -6.514 -15.243 768 HH12 ARG 94 2HH1 ARG 94 10.533 -7.222 -16.747 769 HH21 ARG 94 1HH2 ARG 94 8.027 -9.123 -15.368 770 HH22 ARG 94 2HH2 ARG 94 8.869 -8.688 -16.814 771 H LYS 95 H LYS 95 11.061 -3.903 -8.173 772 HA LYS 95 HA LYS 95 13.375 -5.199 -6.997 773 HB2 LYS 95 2HB LYS 95 13.653 -3.040 -8.102 774 HB3 LYS 95 1HB LYS 95 12.509 -2.297 -6.994 775 HG2 LYS 95 2HG LYS 95 14.030 -2.703 -5.126 776 HG3 LYS 95 1HG LYS 95 15.174 -3.488 -6.215 777 HD2 LYS 95 2HD LYS 95 14.280 -0.601 -6.393 778 HD3 LYS 95 1HD LYS 95 15.809 -1.160 -5.714 779 HE2 LYS 95 2HE LYS 95 16.399 -2.129 -7.906 780 HE3 LYS 95 1HE LYS 95 14.896 -1.495 -8.574 781 HZ1 LYS 95 3HZ LYS 95 17.153 0.087 -7.478 782 HZ2 LYS 95 1HZ LYS 95 15.680 0.745 -7.991 783 HZ3 LYS 95 2HZ LYS 95 16.691 -0.032 -9.101 784 H TYR 96 H TYR 96 10.309 -3.867 -5.860 785 HA TYR 96 HA TYR 96 11.195 -4.308 -3.065 786 HB2 TYR 96 2HB TYR 96 9.245 -2.269 -4.156 787 HB3 TYR 96 1HB TYR 96 9.502 -2.568 -2.441 788 HD1 TYR 96 HD1 TYR 96 11.938 -2.320 -1.578 789 HD2 TYR 96 HD2 TYR 96 10.544 -0.655 -5.248 790 HE1 TYR 96 HE1 TYR 96 13.785 -0.695 -1.539 791 HE2 TYR 96 HE2 TYR 96 12.391 0.970 -5.221 792 HH TYR 96 HH TYR 96 15.046 0.710 -3.129 793 H LYS 97 H LYS 97 9.448 -5.885 -5.238 794 HA LYS 97 HA LYS 97 6.846 -5.998 -4.193 795 HB2 LYS 97 2HB LYS 97 7.548 -6.729 -6.480 796 HB3 LYS 97 1HB LYS 97 8.257 -8.166 -5.753 797 HG2 LYS 97 2HG LYS 97 6.052 -8.827 -4.914 798 HG3 LYS 97 1HG LYS 97 5.351 -7.384 -5.656 799 HD2 LYS 97 2HD LYS 97 5.983 -8.160 -7.863 800 HD3 LYS 97 1HD LYS 97 6.816 -9.551 -7.164 801 HE2 LYS 97 2HE LYS 97 4.620 -10.181 -8.050 802 HE3 LYS 97 1HE LYS 97 4.690 -10.399 -6.303 803 HZ1 LYS 97 3HZ LYS 97 2.637 -9.302 -7.295 804 HZ2 LYS 97 1HZ LYS 97 3.594 -7.927 -7.494 805 HZ3 LYS 97 2HZ LYS 97 3.327 -8.559 -5.943 806 H TRP 98 H TRP 98 6.001 -6.988 -2.504 807 HA TRP 98 HA TRP 98 7.512 -8.580 -0.697 808 HB2 TRP 98 2HB TRP 98 5.753 -7.275 0.221 809 HB3 TRP 98 1HB TRP 98 4.579 -7.903 -0.927 810 HD1 TRP 98 HD1 TRP 98 6.910 -9.925 1.444 811 HE1 TRP 98 HE1 TRP 98 5.423 -11.437 2.901 812 HE3 TRP 98 HE3 TRP 98 2.325 -8.372 -0.193 813 HZ2 TRP 98 HZ2 TRP 98 2.675 -11.907 3.305 814 HZ3 TRP 98 HZ3 TRP 98 0.313 -9.401 0.780 815 HH2 TRP 98 HH2 TRP 98 0.489 -11.135 2.501 816 H GLN 99 H GLN 99 8.075 -10.637 -1.000 817 HA GLN 99 HA GLN 99 6.271 -12.402 -2.535 818 HB2 GLN 99 2HB GLN 99 9.272 -12.616 -2.177 819 HB3 GLN 99 1HB GLN 99 8.271 -13.752 -3.073 820 HG2 GLN 99 2HG GLN 99 7.678 -11.996 -4.663 821 HG3 GLN 99 1HG GLN 99 8.647 -10.836 -3.755 822 HE21 GLN 99 1HE2 GLN 99 9.989 -10.410 -5.505 823 HE22 GLN 99 2HE2 GLN 99 11.145 -11.553 -6.085 824 HA PRO 100 HA PRO 100 6.046 -14.261 1.694 825 HB2 PRO 100 2HB PRO 100 3.611 -15.429 1.202 826 HB3 PRO 100 1HB PRO 100 3.798 -13.786 1.825 827 HG2 PRO 100 2HG PRO 100 3.305 -14.698 -0.990 828 HG3 PRO 100 1HG PRO 100 2.557 -13.357 -0.104 829 HD2 PRO 100 2HD PRO 100 4.529 -12.942 -1.885 830 HD3 PRO 100 1HD PRO 100 4.392 -11.966 -0.409 831 H LEU 101 H LEU 101 5.405 -15.588 -1.518 832 HA LEU 101 HA LEU 101 5.904 -18.322 -0.772 833 HB2 LEU 101 2HB LEU 101 5.839 -17.051 -3.518 834 HB3 LEU 101 1HB LEU 101 5.814 -18.774 -3.183 835 HG LEU 101 HG LEU 101 3.640 -16.792 -2.466 836 HD11 LEU 101 1HD1 LEU 101 2.303 -18.033 -4.109 837 HD12 LEU 101 2HD1 LEU 101 3.713 -19.012 -4.514 838 HD13 LEU 101 3HD1 LEU 101 3.717 -17.280 -4.849 839 HD21 LEU 101 3HD2 LEU 101 3.842 -18.570 -0.782 840 HD22 LEU 101 1HD2 LEU 101 3.727 -19.787 -2.053 841 HD23 LEU 101 2HD2 LEU 101 2.356 -18.728 -1.717 842 H GLU 102 H GLU 102 7.850 -19.159 -0.406 843 HA GLU 102 HA GLU 102 10.230 -17.688 -1.297 844 HB2 GLU 102 2HB GLU 102 11.411 -19.127 0.408 845 HB3 GLU 102 1HB GLU 102 10.205 -18.017 1.045 846 HG2 GLU 102 2HG GLU 102 8.592 -19.977 1.025 847 HG3 GLU 102 1HG GLU 102 9.996 -21.001 0.724 Start of MODEL 18 1 H1 MET 1 1H MET 1 -17.812 -2.208 11.548 2 H2 MET 1 2H MET 1 -16.884 -1.477 12.754 3 H3 MET 1 3H MET 1 -17.448 -3.053 12.968 4 HA MET 1 HA MET 1 -15.469 -2.150 10.950 5 HB2 MET 1 2HB MET 1 -14.644 -2.254 13.298 6 HB3 MET 1 1HB MET 1 -15.121 -3.943 13.372 7 HG2 MET 1 2HG MET 1 -12.734 -3.703 13.000 8 HG3 MET 1 1HG MET 1 -13.517 -4.485 11.625 9 HE1 MET 1 3HE MET 1 -10.542 -2.349 10.102 10 HE2 MET 1 1HE MET 1 -11.190 -3.974 10.318 11 HE3 MET 1 2HE MET 1 -10.558 -3.087 11.705 12 H ASP 2 H ASP 2 -16.121 -3.184 9.123 13 HA ASP 2 HA ASP 2 -17.452 -5.718 9.149 14 HB2 ASP 2 2HB ASP 2 -16.312 -4.144 6.829 15 HB3 ASP 2 1HB ASP 2 -17.419 -5.510 6.698 16 H GLN 3 H GLN 3 -16.788 -7.682 8.157 17 HA GLN 3 HA GLN 3 -14.241 -8.640 8.703 18 HB2 GLN 3 2HB GLN 3 -16.359 -9.567 6.772 19 HB3 GLN 3 1HB GLN 3 -14.822 -10.412 6.896 20 HG2 GLN 3 2HG GLN 3 -16.731 -9.958 9.187 21 HG3 GLN 3 1HG GLN 3 -16.620 -11.439 8.236 22 HE21 GLN 3 1HE2 GLN 3 -15.039 -9.438 10.601 23 HE22 GLN 3 2HE2 GLN 3 -13.884 -10.614 11.107 24 H PHE 4 H PHE 4 -15.452 -7.202 5.688 25 HA PHE 4 HA PHE 4 -13.313 -7.626 3.999 26 HB2 PHE 4 2HB PHE 4 -15.290 -6.528 3.176 27 HB3 PHE 4 1HB PHE 4 -15.074 -5.181 4.290 28 HD1 PHE 4 HD1 PHE 4 -13.306 -6.925 1.502 29 HD2 PHE 4 HD2 PHE 4 -14.065 -3.238 3.501 30 HE1 PHE 4 HE1 PHE 4 -12.019 -5.729 -0.216 31 HE2 PHE 4 HE2 PHE 4 -12.782 -2.041 1.781 32 HZ PHE 4 HZ PHE 4 -11.755 -3.285 -0.079 33 H LEU 5 H LEU 5 -13.722 -4.890 6.228 34 HA LEU 5 HA LEU 5 -11.239 -3.660 5.755 35 HB2 LEU 5 2HB LEU 5 -12.876 -3.610 8.298 36 HB3 LEU 5 1HB LEU 5 -11.668 -2.431 7.818 37 HG LEU 5 HG LEU 5 -14.269 -2.935 6.357 38 HD11 LEU 5 1HD1 LEU 5 -14.718 -1.950 8.505 39 HD12 LEU 5 2HD1 LEU 5 -14.929 -0.730 7.250 40 HD13 LEU 5 3HD1 LEU 5 -13.475 -0.726 8.249 41 HD21 LEU 5 3HD2 LEU 5 -12.183 -0.781 5.972 42 HD22 LEU 5 1HD2 LEU 5 -13.723 -0.903 5.121 43 HD23 LEU 5 2HD2 LEU 5 -12.487 -2.137 4.883 44 H VAL 6 H VAL 6 -12.245 -5.974 8.260 45 HA VAL 6 HA VAL 6 -9.834 -6.072 9.694 46 HB VAL 6 HB VAL 6 -11.881 -8.284 9.359 47 HG11 VAL 6 1HG1 VAL 6 -11.035 -9.122 11.509 48 HG12 VAL 6 2HG1 VAL 6 -9.788 -7.874 11.503 49 HG13 VAL 6 3HG1 VAL 6 -9.782 -9.134 10.268 50 HG21 VAL 6 3HG2 VAL 6 -12.851 -7.433 11.449 51 HG22 VAL 6 1HG2 VAL 6 -12.894 -6.213 10.176 52 HG23 VAL 6 2HG2 VAL 6 -11.684 -6.110 11.455 53 H GLN 7 H GLN 7 -10.931 -8.038 6.935 54 HA GLN 7 HA GLN 7 -8.755 -9.867 7.028 55 HB2 GLN 7 2HB GLN 7 -10.608 -9.227 4.721 56 HB3 GLN 7 1HB GLN 7 -9.532 -10.616 4.812 57 HG2 GLN 7 2HG GLN 7 -11.894 -10.054 6.600 58 HG3 GLN 7 1HG GLN 7 -11.793 -11.271 5.333 59 HE21 GLN 7 1HE2 GLN 7 -10.751 -10.383 8.528 60 HE22 GLN 7 2HE2 GLN 7 -10.185 -11.945 8.989 61 H ILE 8 H ILE 8 -9.417 -7.110 4.818 62 HA ILE 8 HA ILE 8 -7.060 -7.362 3.322 63 HB ILE 8 HB ILE 8 -7.350 -5.009 2.651 64 HG12 ILE 8 2HG1 ILE 8 -9.602 -4.981 4.684 65 HG13 ILE 8 1HG1 ILE 8 -8.093 -4.082 4.809 66 HG21 ILE 8 1HG2 ILE 8 -8.618 -6.758 1.523 67 HG22 ILE 8 2HG2 ILE 8 -9.559 -5.268 1.610 68 HG23 ILE 8 3HG2 ILE 8 -9.917 -6.602 2.707 69 HD11 ILE 8 3HD1 ILE 8 -9.901 -2.643 4.104 70 HD12 ILE 8 1HD1 ILE 8 -10.228 -3.691 2.723 71 HD13 ILE 8 2HD1 ILE 8 -8.708 -2.801 2.815 72 H PHE 9 H PHE 9 -7.663 -5.449 6.276 73 HA PHE 9 HA PHE 9 -5.065 -4.362 6.512 74 HB2 PHE 9 2HB PHE 9 -7.118 -5.009 8.649 75 HB3 PHE 9 1HB PHE 9 -5.647 -4.088 8.943 76 HD1 PHE 9 HD1 PHE 9 -6.307 -2.944 5.849 77 HD2 PHE 9 HD2 PHE 9 -8.099 -2.886 9.720 78 HE1 PHE 9 HE1 PHE 9 -7.487 -0.864 5.276 79 HE2 PHE 9 HE2 PHE 9 -9.275 -0.807 9.143 80 HZ PHE 9 HZ PHE 9 -8.971 0.206 6.920 81 H ALA 10 H ALA 10 -6.507 -7.311 7.872 82 HA ALA 10 HA ALA 10 -4.396 -8.263 9.380 83 HB1 ALA 10 3HB ALA 10 -6.623 -9.285 9.360 84 HB2 ALA 10 1HB ALA 10 -5.357 -10.487 9.102 85 HB3 ALA 10 2HB ALA 10 -6.322 -9.914 7.740 86 H VAL 11 H VAL 11 -4.969 -8.733 5.896 87 HA VAL 11 HA VAL 11 -2.769 -10.445 5.414 88 HB VAL 11 HB VAL 11 -4.144 -8.537 3.501 89 HG11 VAL 11 1HG1 VAL 11 -2.363 -10.912 2.915 90 HG12 VAL 11 2HG1 VAL 11 -1.960 -9.217 2.643 91 HG13 VAL 11 3HG1 VAL 11 -3.255 -9.974 1.716 92 HG21 VAL 11 3HG2 VAL 11 -5.680 -10.154 4.512 93 HG22 VAL 11 1HG2 VAL 11 -4.622 -11.478 4.022 94 HG23 VAL 11 2HG2 VAL 11 -5.433 -10.498 2.800 95 H ILE 12 H ILE 12 -3.091 -6.913 5.225 96 HA ILE 12 HA ILE 12 -0.593 -6.306 4.111 97 HB ILE 12 HB ILE 12 -2.208 -4.644 6.055 98 HG12 ILE 12 2HG1 ILE 12 -2.176 -4.518 3.032 99 HG13 ILE 12 1HG1 ILE 12 -3.387 -5.404 3.952 100 HG21 ILE 12 1HG2 ILE 12 0.062 -3.793 5.893 101 HG22 ILE 12 2HG2 ILE 12 -1.043 -2.708 5.048 102 HG23 ILE 12 3HG2 ILE 12 -0.026 -3.819 4.131 103 HD11 ILE 12 3HD1 ILE 12 -2.885 -2.437 4.082 104 HD12 ILE 12 1HD1 ILE 12 -4.093 -3.321 5.017 105 HD13 ILE 12 2HD1 ILE 12 -4.223 -3.241 3.261 106 H HIS 13 H HIS 13 -1.458 -6.997 7.468 107 HA HIS 13 HA HIS 13 0.886 -6.087 8.719 108 HB2 HIS 13 2HB HIS 13 -1.063 -8.266 9.452 109 HB3 HIS 13 1HB HIS 13 0.324 -7.889 10.469 110 HD2 HIS 13 HD2 HIS 13 -3.258 -6.816 10.022 111 HE1 HIS 13 HE1 HIS 13 -1.310 -3.689 12.110 112 HE2 HIS 13 HE2 HIS 13 -3.532 -4.546 11.251 113 H GLN 14 H GLN 14 0.652 -8.631 6.479 114 HA GLN 14 HA GLN 14 2.959 -10.085 7.547 115 HB2 GLN 14 2HB GLN 14 0.965 -10.625 5.389 116 HB3 GLN 14 1HB GLN 14 2.546 -11.380 5.257 117 HG2 GLN 14 2HG GLN 14 1.024 -12.903 6.306 118 HG3 GLN 14 1HG GLN 14 2.231 -12.387 7.478 119 HE21 GLN 14 1HE2 GLN 14 -0.513 -10.459 6.479 120 HE22 GLN 14 2HE2 GLN 14 -1.328 -10.514 7.998 121 H ILE 15 H ILE 15 2.598 -7.353 5.707 122 HA ILE 15 HA ILE 15 4.694 -7.865 3.777 123 HB ILE 15 HB ILE 15 3.411 -5.225 4.529 124 HG12 ILE 15 2HG1 ILE 15 2.762 -7.140 2.261 125 HG13 ILE 15 1HG1 ILE 15 1.764 -6.865 3.684 126 HG21 ILE 15 1HG2 ILE 15 4.252 -4.470 2.325 127 HG22 ILE 15 2HG2 ILE 15 5.096 -6.010 2.142 128 HG23 ILE 15 3HG2 ILE 15 5.551 -4.901 3.436 129 HD11 ILE 15 3HD1 ILE 15 2.412 -4.840 1.553 130 HD12 ILE 15 1HD1 ILE 15 1.438 -4.539 2.994 131 HD13 ILE 15 2HD1 ILE 15 0.879 -5.683 1.775 132 HA PRO 16 HA PRO 16 7.884 -6.938 6.863 133 HB2 PRO 16 2HB PRO 16 9.734 -7.434 4.618 134 HB3 PRO 16 1HB PRO 16 9.593 -8.279 6.161 135 HG2 PRO 16 2HG PRO 16 8.826 -9.425 3.858 136 HG3 PRO 16 1HG PRO 16 7.960 -9.716 5.380 137 HD2 PRO 16 2HD PRO 16 7.245 -7.870 3.117 138 HD3 PRO 16 1HD PRO 16 6.203 -8.981 4.034 139 H LYS 17 H LYS 17 9.894 -5.521 6.872 140 HA LYS 17 HA LYS 17 9.171 -2.918 6.007 141 HB2 LYS 17 2HB LYS 17 10.555 -3.462 8.040 142 HB3 LYS 17 1HB LYS 17 11.901 -3.805 6.961 143 HG2 LYS 17 2HG LYS 17 11.713 -1.467 6.097 144 HG3 LYS 17 1HG LYS 17 10.502 -1.162 7.344 145 HD2 LYS 17 2HD LYS 17 12.199 -1.834 9.052 146 HD3 LYS 17 1HD LYS 17 13.394 -1.928 7.755 147 HE2 LYS 17 2HE LYS 17 13.674 0.206 8.744 148 HE3 LYS 17 1HE LYS 17 12.816 0.489 7.231 149 HZ1 LYS 17 3HZ LYS 17 11.618 0.399 9.944 150 HZ2 LYS 17 1HZ LYS 17 10.735 0.569 8.511 151 HZ3 LYS 17 2HZ LYS 17 11.822 1.772 8.981 152 H GLY 18 H GLY 18 9.710 -1.779 4.240 153 HA2 GLY 18 2HA GLY 18 11.092 -1.106 2.443 154 HA3 GLY 18 1HA GLY 18 11.919 -2.654 2.521 155 H LYS 19 H LYS 19 9.192 -4.020 2.623 156 HA LYS 19 HA LYS 19 8.957 -4.260 -0.263 157 HB2 LYS 19 2HB LYS 19 7.663 -5.820 1.980 158 HB3 LYS 19 1HB LYS 19 7.442 -6.171 0.271 159 HG2 LYS 19 2HG LYS 19 10.018 -6.337 1.830 160 HG3 LYS 19 1HG LYS 19 9.060 -7.681 1.207 161 HD2 LYS 19 2HD LYS 19 9.445 -6.638 -1.112 162 HD3 LYS 19 1HD LYS 19 10.686 -5.665 -0.327 163 HE2 LYS 19 2HE LYS 19 10.593 -8.684 -0.362 164 HE3 LYS 19 1HE LYS 19 11.617 -7.684 -1.386 165 HZ1 LYS 19 3HZ LYS 19 11.736 -7.753 1.581 166 HZ2 LYS 19 1HZ LYS 19 12.758 -6.873 0.560 167 HZ3 LYS 19 2HZ LYS 19 12.800 -8.561 0.544 168 H VAL 20 H VAL 20 6.941 -4.264 -1.392 169 HA VAL 20 HA VAL 20 4.647 -2.941 -0.128 170 HB VAL 20 HB VAL 20 4.299 -1.491 -2.098 171 HG11 VAL 20 1HG1 VAL 20 5.407 -0.525 -0.173 172 HG12 VAL 20 2HG1 VAL 20 6.088 0.147 -1.654 173 HG13 VAL 20 3HG1 VAL 20 6.976 -1.087 -0.755 174 HG21 VAL 20 3HG2 VAL 20 6.115 -1.153 -3.734 175 HG22 VAL 20 1HG2 VAL 20 5.473 -2.796 -3.784 176 HG23 VAL 20 2HG2 VAL 20 7.015 -2.477 -2.992 177 H SER 21 H SER 21 2.625 -3.367 -1.198 178 HA SER 21 HA SER 21 2.686 -5.340 -3.385 179 HB2 SER 21 2HB SER 21 2.300 -6.591 -1.287 180 HB3 SER 21 1HB SER 21 0.909 -5.566 -0.933 181 HG SER 21 HG SER 21 1.213 -7.569 -2.886 182 H THR 22 H THR 22 0.151 -5.673 -4.044 183 HA THR 22 HA THR 22 -0.777 -2.919 -4.604 184 HB THR 22 HB THR 22 -1.762 -3.750 -6.671 185 HG1 THR 22 HG1 THR 22 -0.524 -6.258 -6.410 186 HG21 THR 22 3HG2 THR 22 0.291 -4.337 -7.893 187 HG22 THR 22 1HG2 THR 22 1.117 -4.635 -6.364 188 HG23 THR 22 2HG2 THR 22 0.567 -3.007 -6.770 189 H TYR 23 H TYR 23 -3.039 -2.512 -4.750 190 HA TYR 23 HA TYR 23 -4.658 -3.550 -2.751 191 HB2 TYR 23 2HB TYR 23 -5.450 -2.189 -5.335 192 HB3 TYR 23 1HB TYR 23 -6.574 -2.521 -4.019 193 HD1 TYR 23 HD2 TYR 23 -5.850 -1.612 -1.669 194 HD2 TYR 23 HD1 TYR 23 -4.339 -0.130 -5.362 195 HE1 TYR 23 HE2 TYR 23 -5.198 0.475 -0.557 196 HE2 TYR 23 HE1 TYR 23 -3.680 1.962 -4.254 197 HH TYR 23 HH TYR 23 -3.476 2.290 -0.944 198 H GLY 24 H GLY 24 -4.321 -4.652 -6.079 199 HA2 GLY 24 2HA GLY 24 -6.486 -6.474 -6.117 200 HA3 GLY 24 1HA GLY 24 -5.066 -6.547 -7.148 201 H GLU 25 H GLU 25 -3.018 -7.032 -5.456 202 HA GLU 25 HA GLU 25 -3.148 -9.759 -4.878 203 HB2 GLU 25 2HB GLU 25 -1.311 -7.597 -3.826 204 HB3 GLU 25 1HB GLU 25 -1.079 -9.301 -3.463 205 HG2 GLU 25 2HG GLU 25 -0.698 -9.822 -5.752 206 HG3 GLU 25 1HG GLU 25 -1.191 -8.209 -6.266 207 H ILE 26 H ILE 26 -3.269 -7.032 -2.576 208 HA ILE 26 HA ILE 26 -3.670 -8.507 -0.240 209 HB ILE 26 HB ILE 26 -4.694 -5.730 -0.884 210 HG12 ILE 26 2HG1 ILE 26 -2.255 -5.941 -1.147 211 HG13 ILE 26 1HG1 ILE 26 -2.650 -4.940 0.244 212 HG21 ILE 26 1HG2 ILE 26 -4.726 -5.379 1.555 213 HG22 ILE 26 2HG2 ILE 26 -4.325 -7.081 1.793 214 HG23 ILE 26 3HG2 ILE 26 -5.857 -6.634 1.045 215 HD11 ILE 26 3HD1 ILE 26 -2.208 -6.857 1.719 216 HD12 ILE 26 1HD1 ILE 26 -0.804 -6.408 0.753 217 HD13 ILE 26 2HD1 ILE 26 -1.765 -7.819 0.309 218 H ALA 27 H ALA 27 -6.133 -7.091 -2.417 219 HA ALA 27 HA ALA 27 -8.405 -7.863 -0.958 220 HB1 ALA 27 3HB ALA 27 -8.161 -7.504 -3.948 221 HB2 ALA 27 1HB ALA 27 -8.415 -6.210 -2.777 222 HB3 ALA 27 2HB ALA 27 -9.650 -7.447 -3.002 223 H LYS 28 H LYS 28 -6.805 -9.534 -3.686 224 HA LYS 28 HA LYS 28 -8.524 -11.754 -3.818 225 HB2 LYS 28 2HB LYS 28 -5.605 -11.495 -4.562 226 HB3 LYS 28 1HB LYS 28 -6.590 -12.897 -4.953 227 HG2 LYS 28 2HG LYS 28 -8.061 -11.509 -6.319 228 HG3 LYS 28 1HG LYS 28 -7.118 -10.077 -5.899 229 HD2 LYS 28 2HD LYS 28 -6.497 -10.922 -8.112 230 HD3 LYS 28 1HD LYS 28 -5.145 -11.046 -6.985 231 HE2 LYS 28 2HE LYS 28 -5.700 -13.430 -6.635 232 HE3 LYS 28 1HE LYS 28 -6.993 -13.285 -7.825 233 HZ1 LYS 28 3HZ LYS 28 -4.111 -12.824 -8.359 234 HZ2 LYS 28 1HZ LYS 28 -5.356 -12.756 -9.500 235 HZ3 LYS 28 2HZ LYS 28 -4.963 -14.224 -8.761 236 H MET 29 H MET 29 -5.655 -11.182 -1.822 237 HA MET 29 HA MET 29 -5.734 -13.870 -0.721 238 HB2 MET 29 2HB MET 29 -3.997 -11.482 -0.082 239 HB3 MET 29 1HB MET 29 -3.844 -13.042 0.718 240 HG2 MET 29 2HG MET 29 -3.355 -14.100 -1.430 241 HG3 MET 29 1HG MET 29 -3.509 -12.540 -2.233 242 HE1 MET 29 3HE MET 29 -2.131 -10.547 -0.236 243 HE2 MET 29 1HE MET 29 -1.786 -10.551 -1.966 244 HE3 MET 29 2HE MET 29 -0.462 -10.563 -0.803 245 H ALA 30 H ALA 30 -7.308 -10.952 -0.061 246 HA ALA 30 HA ALA 30 -7.879 -11.633 2.726 247 HB1 ALA 30 3HB ALA 30 -8.917 -9.347 1.045 248 HB2 ALA 30 1HB ALA 30 -7.523 -9.279 2.124 249 HB3 ALA 30 2HB ALA 30 -9.136 -9.547 2.786 250 H GLY 31 H GLY 31 -9.093 -12.383 -0.333 251 HA2 GLY 31 2HA GLY 31 -10.830 -13.897 -0.767 252 HA3 GLY 31 1HA GLY 31 -11.473 -13.605 0.838 253 H TYR 32 H TYR 32 -10.709 -10.866 -1.144 254 HA TYR 32 HA TYR 32 -13.535 -10.539 -1.912 255 HB2 TYR 32 2HB TYR 32 -11.813 -8.446 -0.566 256 HB3 TYR 32 1HB TYR 32 -13.384 -8.124 -1.286 257 HD1 TYR 32 HD2 TYR 32 -11.636 -9.704 1.539 258 HD2 TYR 32 HD1 TYR 32 -15.429 -8.851 -0.202 259 HE1 TYR 32 HE2 TYR 32 -12.732 -10.258 3.668 260 HE2 TYR 32 HE1 TYR 32 -16.532 -9.401 1.926 261 HH TYR 32 HH TYR 32 -15.942 -10.880 3.994 262 HA PRO 33 HA PRO 33 -10.772 -9.589 -5.541 263 HB2 PRO 33 2HB PRO 33 -12.163 -11.024 -7.373 264 HB3 PRO 33 1HB PRO 33 -10.937 -11.748 -6.325 265 HG2 PRO 33 2HG PRO 33 -13.924 -11.761 -6.033 266 HG3 PRO 33 1HG PRO 33 -12.770 -13.091 -5.804 267 HD2 PRO 33 2HD PRO 33 -13.814 -11.667 -3.732 268 HD3 PRO 33 1HD PRO 33 -12.196 -12.395 -3.682 269 H GLY 34 H GLY 34 -11.093 -7.839 -6.820 270 HA2 GLY 34 2HA GLY 34 -12.284 -6.379 -8.229 271 HA3 GLY 34 1HA GLY 34 -13.788 -7.109 -7.696 272 H TYR 35 H TYR 35 -12.143 -6.500 -4.911 273 HA TYR 35 HA TYR 35 -13.574 -3.961 -4.507 274 HB2 TYR 35 2HB TYR 35 -12.457 -5.994 -2.569 275 HB3 TYR 35 1HB TYR 35 -13.131 -4.449 -2.061 276 HD1 TYR 35 HD1 TYR 35 -13.922 -7.736 -3.532 277 HD2 TYR 35 HD2 TYR 35 -15.507 -4.061 -2.081 278 HE1 TYR 35 HE1 TYR 35 -16.172 -8.725 -3.506 279 HE2 TYR 35 HE2 TYR 35 -17.762 -5.040 -2.054 280 HH TYR 35 HH TYR 35 -18.972 -6.901 -3.234 281 H ALA 36 H ALA 36 -10.891 -4.232 -5.845 282 HA ALA 36 HA ALA 36 -8.726 -3.516 -4.297 283 HB1 ALA 36 3HB ALA 36 -7.722 -2.613 -6.313 284 HB2 ALA 36 1HB ALA 36 -9.305 -2.525 -7.089 285 HB3 ALA 36 2HB ALA 36 -8.608 -4.093 -6.682 286 H ARG 37 H ARG 37 -11.063 -1.264 -5.806 287 HA ARG 37 HA ARG 37 -9.766 1.087 -4.859 288 HB2 ARG 37 2HB ARG 37 -11.166 1.279 -6.776 289 HB3 ARG 37 1HB ARG 37 -12.545 0.586 -5.934 290 HG2 ARG 37 2HG ARG 37 -12.850 2.541 -4.628 291 HG3 ARG 37 1HG ARG 37 -11.290 3.199 -5.125 292 HD2 ARG 37 2HD ARG 37 -13.283 4.241 -6.241 293 HD3 ARG 37 1HD ARG 37 -12.066 3.596 -7.338 294 HE ARG 37 HE ARG 37 -13.612 1.582 -7.458 295 HH11 ARG 37 1HH1 ARG 37 -14.808 4.761 -6.844 296 HH12 ARG 37 2HH1 ARG 37 -16.291 4.471 -7.687 297 HH21 ARG 37 1HH2 ARG 37 -15.507 1.225 -8.511 298 HH22 ARG 37 2HH2 ARG 37 -16.691 2.486 -8.610 299 H HIS 38 H HIS 38 -12.249 -0.991 -3.492 300 HA HIS 38 HA HIS 38 -13.066 0.760 -1.403 301 HB2 HIS 38 2HB HIS 38 -13.218 -2.261 -1.584 302 HB3 HIS 38 1HB HIS 38 -14.044 -1.278 -0.378 303 HD2 HIS 38 HD2 HIS 38 -14.214 -2.033 -4.209 304 HE1 HIS 38 HE1 HIS 38 -17.775 -0.102 -2.988 305 HE2 HIS 38 HE2 HIS 38 -16.672 -1.470 -4.810 306 H VAL 39 H VAL 39 -10.550 -1.731 -1.636 307 HA VAL 39 HA VAL 39 -9.607 -1.618 1.013 308 HB VAL 39 HB VAL 39 -7.924 -1.985 -1.487 309 HG11 VAL 39 1HG1 VAL 39 -7.424 -2.893 1.351 310 HG12 VAL 39 2HG1 VAL 39 -6.619 -1.544 0.550 311 HG13 VAL 39 3HG1 VAL 39 -6.379 -3.189 -0.040 312 HG21 VAL 39 3HG2 VAL 39 -9.368 -4.065 0.165 313 HG22 VAL 39 1HG2 VAL 39 -8.266 -4.394 -1.173 314 HG23 VAL 39 2HG2 VAL 39 -9.790 -3.560 -1.472 315 H GLY 40 H GLY 40 -8.793 0.344 -1.840 316 HA2 GLY 40 2HA GLY 40 -6.957 2.107 -0.670 317 HA3 GLY 40 1HA GLY 40 -7.998 2.492 -2.032 318 H LYS 41 H LYS 41 -10.510 2.251 -0.731 319 HA LYS 41 HA LYS 41 -10.873 4.732 0.517 320 HB2 LYS 41 2HB LYS 41 -12.538 2.213 0.777 321 HB3 LYS 41 1HB LYS 41 -13.043 3.801 1.341 322 HG2 LYS 41 2HG LYS 41 -12.969 4.631 -0.974 323 HG3 LYS 41 1HG LYS 41 -12.497 3.021 -1.526 324 HD2 LYS 41 2HD LYS 41 -14.908 3.394 -1.820 325 HD3 LYS 41 1HD LYS 41 -14.595 2.093 -0.670 326 HE2 LYS 41 2HE LYS 41 -14.923 3.722 1.183 327 HE3 LYS 41 1HE LYS 41 -15.348 4.945 -0.011 328 HZ1 LYS 41 3HZ LYS 41 -17.198 3.515 -0.708 329 HZ2 LYS 41 1HZ LYS 41 -17.326 3.981 0.910 330 HZ3 LYS 41 2HZ LYS 41 -16.818 2.418 0.518 331 H ALA 42 H ALA 42 -10.587 1.497 1.956 332 HA ALA 42 HA ALA 42 -10.924 2.184 4.636 333 HB1 ALA 42 3HB ALA 42 -9.263 -0.067 3.504 334 HB2 ALA 42 1HB ALA 42 -11.005 -0.109 3.780 335 HB3 ALA 42 2HB ALA 42 -9.898 0.038 5.147 336 H LEU 43 H LEU 43 -7.883 1.908 2.778 337 HA LEU 43 HA LEU 43 -6.162 2.550 4.932 338 HB2 LEU 43 2HB LEU 43 -5.702 2.940 1.970 339 HB3 LEU 43 1HB LEU 43 -4.459 2.974 3.207 340 HG LEU 43 HG LEU 43 -6.094 0.581 2.338 341 HD11 LEU 43 1HD1 LEU 43 -3.129 1.139 2.192 342 HD12 LEU 43 2HD1 LEU 43 -4.259 1.207 0.840 343 HD13 LEU 43 3HD1 LEU 43 -3.945 -0.327 1.648 344 HD21 LEU 43 3HD2 LEU 43 -4.054 0.774 4.561 345 HD22 LEU 43 1HD2 LEU 43 -4.799 -0.713 3.968 346 HD23 LEU 43 2HD2 LEU 43 -5.789 0.513 4.759 347 H GLY 44 H GLY 44 -7.738 4.589 2.483 348 HA2 GLY 44 2HA GLY 44 -6.456 7.015 3.106 349 HA3 GLY 44 1HA GLY 44 -8.049 6.867 2.382 350 H ASN 45 H ASN 45 -8.985 5.314 4.785 351 HA ASN 45 HA ASN 45 -9.739 7.612 6.406 352 HB2 ASN 45 2HB ASN 45 -10.631 4.718 6.431 353 HB3 ASN 45 1HB ASN 45 -11.242 5.939 7.544 354 HD21 ASN 45 1HD2 ASN 45 -13.337 5.728 6.780 355 HD22 ASN 45 2HD2 ASN 45 -13.818 6.340 5.239 356 H LEU 46 H LEU 46 -7.093 5.748 6.456 357 HA LEU 46 HA LEU 46 -6.917 5.418 9.364 358 HB2 LEU 46 2HB LEU 46 -5.016 4.689 7.124 359 HB3 LEU 46 1HB LEU 46 -4.681 4.415 8.823 360 HG LEU 46 HG LEU 46 -6.995 3.173 7.319 361 HD11 LEU 46 1HD1 LEU 46 -4.355 1.948 8.133 362 HD12 LEU 46 2HD1 LEU 46 -4.858 2.330 6.485 363 HD13 LEU 46 3HD1 LEU 46 -5.716 1.094 7.403 364 HD21 LEU 46 3HD2 LEU 46 -7.196 1.739 9.293 365 HD22 LEU 46 1HD2 LEU 46 -7.414 3.437 9.714 366 HD23 LEU 46 2HD2 LEU 46 -5.890 2.627 10.080 367 HA PRO 47 HA PRO 47 -4.480 9.135 9.988 368 HB2 PRO 47 2HB PRO 47 -2.746 8.311 11.942 369 HB3 PRO 47 1HB PRO 47 -4.438 8.721 12.247 370 HG2 PRO 47 2HG PRO 47 -3.179 6.025 11.875 371 HG3 PRO 47 1HG PRO 47 -4.399 6.538 13.056 372 HD2 PRO 47 2HD PRO 47 -5.051 5.160 10.823 373 HD3 PRO 47 1HD PRO 47 -6.131 6.382 11.525 374 H GLU 48 H GLU 48 -2.282 9.991 9.774 375 HA GLU 48 HA GLU 48 -1.067 9.118 7.435 376 HB2 GLU 48 2HB GLU 48 0.204 10.787 9.617 377 HB3 GLU 48 1HB GLU 48 0.723 10.708 7.938 378 HG2 GLU 48 2HG GLU 48 -1.398 11.694 7.225 379 HG3 GLU 48 1HG GLU 48 -1.942 11.746 8.900 380 H GLY 49 H GLY 49 -0.087 8.481 10.789 381 HA2 GLY 49 2HA GLY 49 1.748 6.386 9.763 382 HA3 GLY 49 1HA GLY 49 2.138 7.385 11.156 383 H SER 50 H SER 50 -0.504 5.254 10.032 384 HA SER 50 HA SER 50 -1.390 4.594 12.657 385 HB2 SER 50 2HB SER 50 -2.914 4.414 10.770 386 HB3 SER 50 1HB SER 50 -1.877 3.209 10.005 387 HG SER 50 HG SER 50 -3.400 2.954 12.386 388 H LYS 51 H LYS 51 -1.414 2.389 13.596 389 HA LYS 51 HA LYS 51 1.100 1.134 13.774 390 HB2 LYS 51 2HB LYS 51 -0.641 0.894 15.497 391 HB3 LYS 51 1HB LYS 51 -1.639 -0.020 14.374 392 HG2 LYS 51 2HG LYS 51 -0.022 -1.818 14.330 393 HG3 LYS 51 1HG LYS 51 1.088 -0.884 15.337 394 HD2 LYS 51 2HD LYS 51 -0.556 -0.927 17.168 395 HD3 LYS 51 1HD LYS 51 -1.652 -1.874 16.157 396 HE2 LYS 51 2HE LYS 51 -0.397 -3.274 17.754 397 HE3 LYS 51 1HE LYS 51 -0.059 -3.698 16.077 398 HZ1 LYS 51 3HZ LYS 51 2.017 -2.558 16.189 399 HZ2 LYS 51 1HZ LYS 51 1.930 -3.598 17.515 400 HZ3 LYS 51 2HZ LYS 51 1.678 -1.941 17.727 401 H LEU 52 H LEU 52 -1.616 0.626 11.642 402 HA LEU 52 HA LEU 52 -0.397 -1.641 10.294 403 HB2 LEU 52 2HB LEU 52 -2.826 -1.531 10.485 404 HB3 LEU 52 1HB LEU 52 -2.845 0.026 9.677 405 HG LEU 52 HG LEU 52 -1.899 -1.130 7.634 406 HD11 LEU 52 1HD1 LEU 52 -2.182 -3.552 7.478 407 HD12 LEU 52 2HD1 LEU 52 -2.633 -3.614 9.180 408 HD13 LEU 52 3HD1 LEU 52 -1.009 -3.114 8.715 409 HD21 LEU 52 3HD2 LEU 52 -4.053 -2.034 6.929 410 HD22 LEU 52 1HD2 LEU 52 -4.253 -0.512 7.795 411 HD23 LEU 52 2HD2 LEU 52 -4.610 -2.040 8.603 412 HA PRO 53 HA PRO 53 1.833 1.239 7.613 413 HB2 PRO 53 2HB PRO 53 3.131 -0.611 6.108 414 HB3 PRO 53 1HB PRO 53 3.649 -0.178 7.741 415 HG2 PRO 53 2HG PRO 53 2.070 -2.550 6.815 416 HG3 PRO 53 1HG PRO 53 3.366 -2.469 8.022 417 HD2 PRO 53 2HD PRO 53 0.706 -2.558 8.663 418 HD3 PRO 53 1HD PRO 53 1.931 -1.796 9.696 419 H TRP 54 H TRP 54 0.035 2.063 6.526 420 HA TRP 54 HA TRP 54 -1.375 0.537 4.530 421 HB2 TRP 54 2HB TRP 54 -2.630 2.647 4.144 422 HB3 TRP 54 1HB TRP 54 -2.597 2.174 5.838 423 HD1 TRP 54 HD1 TRP 54 -1.265 3.758 7.531 424 HE1 TRP 54 HE1 TRP 54 -0.429 6.181 7.329 425 HE3 TRP 54 HE3 TRP 54 -1.670 4.347 2.466 426 HZ2 TRP 54 HZ2 TRP 54 0.002 8.090 5.305 427 HZ3 TRP 54 HZ3 TRP 54 -1.025 6.506 1.478 428 HH2 TRP 54 HH2 TRP 54 -0.207 8.339 2.870 429 H PHE 55 H PHE 55 1.200 2.888 4.537 430 HA PHE 55 HA PHE 55 1.143 3.655 1.839 431 HB2 PHE 55 2HB PHE 55 3.561 4.292 2.236 432 HB3 PHE 55 1HB PHE 55 2.391 4.991 3.347 433 HD1 PHE 55 HD1 PHE 55 5.101 2.520 2.999 434 HD2 PHE 55 HD2 PHE 55 2.407 4.450 5.681 435 HE1 PHE 55 HE1 PHE 55 6.400 1.680 4.908 436 HE2 PHE 55 HE2 PHE 55 3.707 3.606 7.591 437 HZ PHE 55 HZ PHE 55 5.703 2.221 7.207 438 H ARG 56 H ARG 56 1.890 0.616 3.109 439 HA ARG 56 HA ARG 56 3.785 -0.097 1.005 440 HB2 ARG 56 2HB ARG 56 2.647 -1.726 3.290 441 HB3 ARG 56 1HB ARG 56 3.836 -2.318 2.133 442 HG2 ARG 56 2HG ARG 56 5.324 -0.418 2.861 443 HG3 ARG 56 1HG ARG 56 4.174 -0.120 4.163 444 HD2 ARG 56 2HD ARG 56 4.569 -2.325 5.075 445 HD3 ARG 56 1HD ARG 56 5.605 -2.745 3.709 446 HE ARG 56 HE ARG 56 6.370 -1.300 6.033 447 HH11 ARG 56 1HH1 ARG 56 6.980 -1.640 2.657 448 HH12 ARG 56 2HH1 ARG 56 8.498 -0.822 2.736 449 HH21 ARG 56 1HH2 ARG 56 8.354 -0.281 6.135 450 HH22 ARG 56 2HH2 ARG 56 9.263 -0.055 4.684 451 H VAL 57 H VAL 57 0.617 0.344 0.875 452 HA VAL 57 HA VAL 57 0.243 -1.896 -1.023 453 HB VAL 57 HB VAL 57 -1.964 -0.579 0.584 454 HG11 VAL 57 1HG1 VAL 57 -1.988 -2.986 -1.249 455 HG12 VAL 57 2HG1 VAL 57 -2.739 -1.420 -1.559 456 HG13 VAL 57 3HG1 VAL 57 -3.344 -2.445 -0.260 457 HG21 VAL 57 3HG2 VAL 57 -0.692 -3.295 0.980 458 HG22 VAL 57 1HG2 VAL 57 -2.079 -2.659 1.866 459 HG23 VAL 57 2HG2 VAL 57 -0.497 -1.899 2.040 460 H ILE 58 H ILE 58 0.487 -1.029 -2.987 461 HA ILE 58 HA ILE 58 -0.724 1.605 -3.574 462 HB ILE 58 HB ILE 58 1.003 1.832 -5.356 463 HG12 ILE 58 2HG1 ILE 58 2.171 -0.655 -4.067 464 HG13 ILE 58 1HG1 ILE 58 1.524 -0.540 -5.700 465 HG21 ILE 58 1HG2 ILE 58 2.863 2.369 -3.842 466 HG22 ILE 58 2HG2 ILE 58 2.071 1.457 -2.557 467 HG23 ILE 58 3HG2 ILE 58 1.315 2.915 -3.200 468 HD11 ILE 58 3HD1 ILE 58 3.309 1.033 -6.284 469 HD12 ILE 58 1HD1 ILE 58 3.937 -0.517 -5.727 470 HD13 ILE 58 2HD1 ILE 58 3.964 0.879 -4.653 471 H ASN 59 H ASN 59 -0.564 1.650 -6.309 472 HA ASN 59 HA ASN 59 -2.714 -0.198 -6.988 473 HB2 ASN 59 2HB ASN 59 -2.998 1.197 -9.002 474 HB3 ASN 59 1HB ASN 59 -3.040 2.147 -7.523 475 HD21 ASN 59 1HD2 ASN 59 -2.459 4.052 -8.454 476 HD22 ASN 59 2HD2 ASN 59 -0.897 4.351 -9.126 477 H SER 60 H SER 60 -2.711 -1.034 -9.347 478 HA SER 60 HA SER 60 -0.653 -2.960 -9.514 479 HB2 SER 60 2HB SER 60 -2.918 -3.351 -10.410 480 HB3 SER 60 1HB SER 60 -2.623 -2.158 -11.675 481 HG SER 60 HG SER 60 -2.274 -4.396 -12.292 482 H GLN 61 H GLN 61 -0.868 0.231 -10.891 483 HA GLN 61 HA GLN 61 1.087 -0.142 -12.958 484 HB2 GLN 61 2HB GLN 61 0.055 2.358 -11.600 485 HB3 GLN 61 1HB GLN 61 1.172 2.377 -12.957 486 HG2 GLN 61 2HG GLN 61 -1.597 1.190 -13.008 487 HG3 GLN 61 1HG GLN 61 -1.163 2.783 -13.620 488 HE21 GLN 61 1HE2 GLN 61 1.391 1.880 -14.712 489 HE22 GLN 61 2HE2 GLN 61 1.003 0.956 -16.117 490 H GLY 62 H GLY 62 1.389 -0.072 -9.616 491 HA2 GLY 62 2HA GLY 62 3.256 -0.018 -8.255 492 HA3 GLY 62 1HA GLY 62 4.250 0.174 -9.692 493 H LYS 63 H LYS 63 1.614 2.181 -8.451 494 HA LYS 63 HA LYS 63 3.506 4.390 -7.995 495 HB2 LYS 63 2HB LYS 63 0.949 4.530 -9.614 496 HB3 LYS 63 1HB LYS 63 1.838 5.944 -9.061 497 HG2 LYS 63 2HG LYS 63 3.786 5.216 -10.373 498 HG3 LYS 63 1HG LYS 63 2.868 3.822 -10.944 499 HD2 LYS 63 2HD LYS 63 1.268 5.287 -12.044 500 HD3 LYS 63 1HD LYS 63 2.092 6.710 -11.402 501 HE2 LYS 63 2HE LYS 63 4.098 6.129 -12.678 502 HE3 LYS 63 1HE LYS 63 3.293 4.690 -13.303 503 HZ1 LYS 63 3HZ LYS 63 1.773 6.014 -14.505 504 HZ2 LYS 63 1HZ LYS 63 3.307 6.647 -14.822 505 HZ3 LYS 63 2HZ LYS 63 2.272 7.438 -13.742 506 H ILE 64 H ILE 64 2.642 6.105 -6.643 507 HA ILE 64 HA ILE 64 1.261 5.205 -4.364 508 HB ILE 64 HB ILE 64 1.734 8.049 -5.307 509 HG12 ILE 64 2HG1 ILE 64 3.293 6.294 -3.384 510 HG13 ILE 64 1HG1 ILE 64 3.813 6.774 -4.996 511 HG21 ILE 64 1HG2 ILE 64 1.375 8.705 -2.971 512 HG22 ILE 64 2HG2 ILE 64 0.973 7.037 -2.563 513 HG23 ILE 64 3HG2 ILE 64 -0.066 7.953 -3.655 514 HD11 ILE 64 3HD1 ILE 64 4.927 8.078 -3.280 515 HD12 ILE 64 1HD1 ILE 64 3.369 8.625 -2.661 516 HD13 ILE 64 2HD1 ILE 64 3.897 9.105 -4.275 517 H SER 65 H SER 65 -0.860 5.188 -3.819 518 HA SER 65 HA SER 65 -2.834 5.571 -5.878 519 HB2 SER 65 2HB SER 65 -4.438 4.817 -4.146 520 HB3 SER 65 1HB SER 65 -3.051 3.734 -4.272 521 HG SER 65 HG SER 65 -3.581 4.250 -2.093 522 H LEU 66 H LEU 66 -2.185 7.115 -2.734 523 HA LEU 66 HA LEU 66 -4.221 9.074 -2.954 524 HB2 LEU 66 2HB LEU 66 -1.689 9.070 -1.306 525 HB3 LEU 66 1HB LEU 66 -2.997 10.222 -1.121 526 HG LEU 66 HG LEU 66 -3.138 7.250 -0.595 527 HD11 LEU 66 1HD1 LEU 66 -1.981 8.517 1.135 528 HD12 LEU 66 2HD1 LEU 66 -3.537 7.925 1.716 529 HD13 LEU 66 3HD1 LEU 66 -3.353 9.619 1.261 530 HD21 LEU 66 3HD2 LEU 66 -5.440 7.654 0.152 531 HD22 LEU 66 1HD2 LEU 66 -5.244 8.022 -1.562 532 HD23 LEU 66 2HD2 LEU 66 -5.320 9.331 -0.382 533 H LYS 67 H LYS 67 -3.889 11.426 -3.145 534 HA LYS 67 HA LYS 67 -1.779 12.094 -5.093 535 HB2 LYS 67 2HB LYS 67 -3.514 13.317 -6.425 536 HB3 LYS 67 1HB LYS 67 -3.702 11.569 -6.414 537 HG2 LYS 67 2HG LYS 67 -5.409 11.865 -4.583 538 HG3 LYS 67 1HG LYS 67 -5.323 13.599 -4.887 539 HD2 LYS 67 2HD LYS 67 -6.070 11.501 -6.932 540 HD3 LYS 67 1HD LYS 67 -7.212 12.521 -6.055 541 HE2 LYS 67 2HE LYS 67 -5.060 13.487 -7.943 542 HE3 LYS 67 1HE LYS 67 -6.780 13.378 -8.309 543 HZ1 LYS 67 3HZ LYS 67 -7.149 14.956 -6.427 544 HZ2 LYS 67 1HZ LYS 67 -6.297 15.614 -7.734 545 HZ3 LYS 67 2HZ LYS 67 -5.473 15.164 -6.333 546 H GLY 68 H GLY 68 -1.531 14.453 -5.467 547 HA2 GLY 68 2HA GLY 68 -1.130 16.577 -4.686 548 HA3 GLY 68 1HA GLY 68 -2.633 16.430 -3.790 549 H ARG 69 H ARG 69 -2.178 17.153 -1.782 550 HA ARG 69 HA ARG 69 0.205 16.996 -0.364 551 HB2 ARG 69 2HB ARG 69 -2.639 16.958 0.666 552 HB3 ARG 69 1HB ARG 69 -1.233 17.161 1.702 553 HG2 ARG 69 2HG ARG 69 -0.660 19.230 0.531 554 HG3 ARG 69 1HG ARG 69 -2.058 19.021 -0.526 555 HD2 ARG 69 2HD ARG 69 -2.466 20.613 1.338 556 HD3 ARG 69 1HD ARG 69 -3.572 19.238 1.338 557 HE ARG 69 HE ARG 69 -1.350 18.687 2.993 558 HH11 ARG 69 1HH1 ARG 69 -4.188 20.651 2.924 559 HH12 ARG 69 2HH1 ARG 69 -4.357 20.640 4.646 560 HH21 ARG 69 1HH2 ARG 69 -1.593 18.687 5.189 561 HH22 ARG 69 2HH2 ARG 69 -2.893 19.572 5.912 562 H ASP 70 H ASP 70 -2.439 14.656 -0.516 563 HA ASP 70 HA ASP 70 -1.428 12.848 1.403 564 HB2 ASP 70 2HB ASP 70 -3.365 12.487 -0.888 565 HB3 ASP 70 1HB ASP 70 -3.027 11.236 0.306 566 H LEU 71 H LEU 71 -0.725 13.268 -2.003 567 HA LEU 71 HA LEU 71 0.540 10.782 -2.481 568 HB2 LEU 71 2HB LEU 71 -0.160 12.474 -4.215 569 HB3 LEU 71 1HB LEU 71 1.216 13.449 -3.748 570 HG LEU 71 HG LEU 71 1.553 10.629 -4.781 571 HD11 LEU 71 1HD1 LEU 71 0.310 11.866 -6.468 572 HD12 LEU 71 2HD1 LEU 71 1.968 11.585 -6.997 573 HD13 LEU 71 3HD1 LEU 71 1.491 13.176 -6.401 574 HD21 LEU 71 3HD2 LEU 71 3.796 11.439 -5.395 575 HD22 LEU 71 1HD2 LEU 71 3.502 11.586 -3.663 576 HD23 LEU 71 2HD2 LEU 71 3.415 13.013 -4.695 577 H ASP 72 H ASP 72 1.943 13.959 -1.622 578 HA ASP 72 HA ASP 72 4.570 13.026 -1.186 579 HB2 ASP 72 2HB ASP 72 3.166 15.439 -0.017 580 HB3 ASP 72 1HB ASP 72 4.904 15.154 0.053 581 H ARG 73 H ARG 73 1.754 13.123 0.880 582 HA ARG 73 HA ARG 73 2.878 12.573 3.374 583 HB2 ARG 73 2HB ARG 73 0.563 13.087 3.236 584 HB3 ARG 73 1HB ARG 73 0.264 11.785 2.099 585 HG2 ARG 73 2HG ARG 73 0.546 10.132 3.823 586 HG3 ARG 73 1HG ARG 73 1.043 11.369 4.982 587 HD2 ARG 73 2HD ARG 73 -1.653 11.328 3.618 588 HD3 ARG 73 1HD ARG 73 -1.343 10.620 5.206 589 HE ARG 73 HE ARG 73 -0.514 13.004 5.734 590 HH11 ARG 73 1HH1 ARG 73 -3.178 12.309 3.642 591 HH12 ARG 73 2HH1 ARG 73 -3.989 13.778 4.039 592 HH21 ARG 73 1HH2 ARG 73 -1.566 14.847 6.232 593 HH22 ARG 73 2HH2 ARG 73 -3.098 15.197 5.506 594 H GLN 74 H GLN 74 1.580 10.167 1.045 595 HA GLN 74 HA GLN 74 2.633 7.915 2.390 596 HB2 GLN 74 2HB GLN 74 0.802 7.892 0.652 597 HB3 GLN 74 1HB GLN 74 2.043 8.118 -0.575 598 HG2 GLN 74 2HG GLN 74 3.061 6.007 0.005 599 HG3 GLN 74 1HG GLN 74 1.938 5.797 1.346 600 HE21 GLN 74 1HE2 GLN 74 2.362 4.007 -0.867 601 HE22 GLN 74 2HE2 GLN 74 0.846 3.871 -1.679 602 H LYS 75 H LYS 75 3.875 9.898 -0.252 603 HA LYS 75 HA LYS 75 6.180 8.614 -1.000 604 HB2 LYS 75 2HB LYS 75 5.425 10.621 -2.086 605 HB3 LYS 75 1HB LYS 75 5.619 11.561 -0.615 606 HG2 LYS 75 2HG LYS 75 8.072 11.226 -0.775 607 HG3 LYS 75 1HG LYS 75 7.818 10.388 -2.311 608 HD2 LYS 75 2HD LYS 75 6.768 12.401 -3.240 609 HD3 LYS 75 1HD LYS 75 7.007 13.239 -1.707 610 HE2 LYS 75 2HE LYS 75 9.451 12.972 -1.984 611 HE3 LYS 75 1HE LYS 75 9.167 12.212 -3.551 612 HZ1 LYS 75 3HZ LYS 75 8.078 14.270 -4.278 613 HZ2 LYS 75 1HZ LYS 75 9.691 14.530 -3.840 614 HZ3 LYS 75 2HZ LYS 75 8.445 14.995 -2.795 615 H GLN 76 H GLN 76 5.917 10.964 1.681 616 HA GLN 76 HA GLN 76 8.590 10.747 2.537 617 HB2 GLN 76 2HB GLN 76 6.081 11.661 3.943 618 HB3 GLN 76 1HB GLN 76 7.672 11.744 4.692 619 HG2 GLN 76 2HG GLN 76 8.461 13.247 2.989 620 HG3 GLN 76 1HG GLN 76 6.970 13.056 2.072 621 HE21 GLN 76 1HE2 GLN 76 6.645 15.283 2.111 622 HE22 GLN 76 2HE2 GLN 76 6.093 16.104 3.527 623 H LYS 77 H LYS 77 5.678 8.977 3.551 624 HA LYS 77 HA LYS 77 6.885 7.536 5.669 625 HB2 LYS 77 2HB LYS 77 4.582 6.668 3.899 626 HB3 LYS 77 1HB LYS 77 4.990 5.990 5.470 627 HG2 LYS 77 2HG LYS 77 4.095 8.826 4.963 628 HG3 LYS 77 1HG LYS 77 3.086 7.523 5.596 629 HD2 LYS 77 2HD LYS 77 4.505 7.360 7.574 630 HD3 LYS 77 1HD LYS 77 5.579 8.603 6.931 631 HE2 LYS 77 2HE LYS 77 3.649 10.188 6.944 632 HE3 LYS 77 1HE LYS 77 2.683 8.940 7.733 633 HZ1 LYS 77 3HZ LYS 77 4.260 8.961 9.578 634 HZ2 LYS 77 1HZ LYS 77 3.573 10.491 9.341 635 HZ3 LYS 77 2HZ LYS 77 5.152 10.180 8.818 636 H LEU 78 H LEU 78 6.689 6.933 2.205 637 HA LEU 78 HA LEU 78 7.783 4.307 2.221 638 HB2 LEU 78 2HB LEU 78 7.668 6.404 0.047 639 HB3 LEU 78 1HB LEU 78 8.140 4.733 -0.213 640 HG LEU 78 HG LEU 78 5.436 5.549 0.863 641 HD11 LEU 78 1HD1 LEU 78 6.221 4.918 -1.980 642 HD12 LEU 78 2HD1 LEU 78 5.683 6.478 -1.360 643 HD13 LEU 78 3HD1 LEU 78 4.570 5.111 -1.392 644 HD21 LEU 78 3HD2 LEU 78 4.799 3.267 0.208 645 HD22 LEU 78 1HD2 LEU 78 6.085 3.272 1.413 646 HD23 LEU 78 2HD2 LEU 78 6.464 2.947 -0.278 647 H GLU 79 H GLU 79 9.249 7.462 1.392 648 HA GLU 79 HA GLU 79 11.874 6.679 1.005 649 HB2 GLU 79 2HB GLU 79 10.762 9.227 2.194 650 HB3 GLU 79 1HB GLU 79 12.463 9.019 1.806 651 HG2 GLU 79 2HG GLU 79 10.229 8.775 -0.204 652 HG3 GLU 79 1HG GLU 79 11.150 10.250 0.086 653 H ALA 80 H ALA 80 10.284 7.532 4.070 654 HA ALA 80 HA ALA 80 12.539 7.333 5.746 655 HB1 ALA 80 3HB ALA 80 10.434 8.440 6.375 656 HB2 ALA 80 1HB ALA 80 10.955 7.261 7.583 657 HB3 ALA 80 2HB ALA 80 9.647 6.864 6.467 658 H GLU 81 H GLU 81 10.744 4.870 4.193 659 HA GLU 81 HA GLU 81 11.731 2.802 6.042 660 HB2 GLU 81 2HB GLU 81 9.577 2.754 3.924 661 HB3 GLU 81 1HB GLU 81 10.137 1.310 4.754 662 HG2 GLU 81 2HG GLU 81 8.956 3.713 6.140 663 HG3 GLU 81 1HG GLU 81 8.050 2.269 5.689 664 H GLY 82 H GLY 82 13.086 4.299 3.628 665 HA2 GLY 82 2HA GLY 82 14.963 3.671 2.410 666 HA3 GLY 82 1HA GLY 82 14.657 1.999 2.841 667 H ILE 83 H ILE 83 11.867 3.379 1.583 668 HA ILE 83 HA ILE 83 12.193 1.922 -0.925 669 HB ILE 83 HB ILE 83 9.768 3.397 0.139 670 HG12 ILE 83 2HG1 ILE 83 10.434 0.439 0.251 671 HG13 ILE 83 1HG1 ILE 83 10.494 1.546 1.620 672 HG21 ILE 83 1HG2 ILE 83 9.709 3.083 -2.287 673 HG22 ILE 83 2HG2 ILE 83 8.502 2.074 -1.492 674 HG23 ILE 83 3HG2 ILE 83 10.003 1.356 -2.078 675 HD11 ILE 83 3HD1 ILE 83 8.476 0.212 1.657 676 HD12 ILE 83 1HD1 ILE 83 8.035 0.799 0.054 677 HD13 ILE 83 2HD1 ILE 83 8.086 1.916 1.420 678 H GLU 84 H GLU 84 11.900 2.905 -3.007 679 HA GLU 84 HA GLU 84 12.664 5.738 -3.049 680 HB2 GLU 84 2HB GLU 84 13.391 5.371 -5.335 681 HB3 GLU 84 1HB GLU 84 14.093 4.152 -4.283 682 HG2 GLU 84 2HG GLU 84 12.463 2.518 -5.044 683 HG3 GLU 84 1HG GLU 84 11.698 3.736 -6.064 684 H VAL 85 H VAL 85 11.297 7.286 -3.658 685 HA VAL 85 HA VAL 85 8.853 6.536 -5.139 686 HB VAL 85 HB VAL 85 9.356 9.065 -3.546 687 HG11 VAL 85 1HG1 VAL 85 7.744 9.374 -5.352 688 HG12 VAL 85 2HG1 VAL 85 6.936 9.417 -3.787 689 HG13 VAL 85 3HG1 VAL 85 6.826 7.973 -4.793 690 HG21 VAL 85 3HG2 VAL 85 7.769 6.599 -2.803 691 HG22 VAL 85 1HG2 VAL 85 7.821 8.100 -1.879 692 HG23 VAL 85 2HG2 VAL 85 9.281 7.130 -2.063 693 H SER 86 H SER 86 9.457 6.667 -7.258 694 HA SER 86 HA SER 86 11.103 8.592 -8.455 695 HB2 SER 86 2HB SER 86 8.763 7.112 -9.695 696 HB3 SER 86 1HB SER 86 10.052 7.921 -10.584 697 HG SER 86 HG SER 86 10.091 5.512 -9.152 698 H GLU 87 H GLU 87 10.480 10.394 -9.893 699 HA GLU 87 HA GLU 87 9.520 12.445 -8.433 700 HB2 GLU 87 2HB GLU 87 9.324 13.762 -10.472 701 HB3 GLU 87 1HB GLU 87 10.744 12.728 -10.528 702 HG2 GLU 87 2HG GLU 87 9.649 11.197 -12.019 703 HG3 GLU 87 1HG GLU 87 8.126 12.067 -11.860 704 H ILE 88 H ILE 88 7.434 10.621 -10.695 705 HA ILE 88 HA ILE 88 5.152 12.286 -9.953 706 HB ILE 88 HB ILE 88 3.920 10.866 -11.674 707 HG12 ILE 88 2HG1 ILE 88 5.532 9.821 -13.393 708 HG13 ILE 88 1HG1 ILE 88 6.737 9.837 -12.114 709 HG21 ILE 88 1HG2 ILE 88 6.304 12.488 -12.567 710 HG22 ILE 88 2HG2 ILE 88 4.715 13.117 -12.127 711 HG23 ILE 88 3HG2 ILE 88 4.896 12.098 -13.555 712 HD11 ILE 88 3HD1 ILE 88 5.329 8.382 -10.766 713 HD12 ILE 88 1HD1 ILE 88 5.684 7.667 -12.337 714 HD13 ILE 88 2HD1 ILE 88 4.103 8.385 -12.036 715 H GLY 89 H GLY 89 6.414 10.288 -8.105 716 HA2 GLY 89 2HA GLY 89 5.624 9.019 -6.358 717 HA3 GLY 89 1HA GLY 89 3.997 9.257 -6.972 718 H LYS 90 H LYS 90 6.914 7.622 -8.299 719 HA LYS 90 HA LYS 90 5.230 5.196 -8.621 720 HB2 LYS 90 2HB LYS 90 5.766 6.175 -10.794 721 HB3 LYS 90 1HB LYS 90 7.482 6.121 -10.417 722 HG2 LYS 90 2HG LYS 90 7.403 3.680 -10.339 723 HG3 LYS 90 1HG LYS 90 5.674 3.723 -10.684 724 HD2 LYS 90 2HD LYS 90 6.148 4.799 -12.850 725 HD3 LYS 90 1HD LYS 90 7.875 4.719 -12.502 726 HE2 LYS 90 2HE LYS 90 7.171 2.899 -13.984 727 HE3 LYS 90 1HE LYS 90 7.768 2.282 -12.444 728 HZ1 LYS 90 3HZ LYS 90 5.770 1.127 -13.098 729 HZ2 LYS 90 1HZ LYS 90 4.914 2.580 -13.221 730 HZ3 LYS 90 2HZ LYS 90 5.456 2.041 -11.714 731 H ILE 91 H ILE 91 5.951 3.289 -7.885 732 HA ILE 91 HA ILE 91 8.646 3.152 -6.674 733 HB ILE 91 HB ILE 91 6.196 1.524 -5.945 734 HG12 ILE 91 2HG1 ILE 91 7.415 3.852 -4.429 735 HG13 ILE 91 1HG1 ILE 91 5.956 3.956 -5.408 736 HG21 ILE 91 1HG2 ILE 91 8.297 0.385 -5.469 737 HG22 ILE 91 2HG2 ILE 91 7.496 0.864 -3.973 738 HG23 ILE 91 3HG2 ILE 91 8.873 1.790 -4.571 739 HD11 ILE 91 3HD1 ILE 91 5.356 3.765 -3.101 740 HD12 ILE 91 1HD1 ILE 91 6.339 2.312 -2.917 741 HD13 ILE 91 2HD1 ILE 91 4.898 2.281 -3.933 742 H ALA 92 H ALA 92 9.996 1.479 -7.284 743 HA ALA 92 HA ALA 92 9.358 -0.072 -9.595 744 HB1 ALA 92 3HB ALA 92 11.576 -1.055 -9.321 745 HB2 ALA 92 1HB ALA 92 11.702 -0.352 -7.706 746 HB3 ALA 92 2HB ALA 92 11.639 0.696 -9.123 747 H LEU 93 H LEU 93 7.605 -1.428 -9.184 748 HA LEU 93 HA LEU 93 7.112 -2.942 -6.921 749 HB2 LEU 93 2HB LEU 93 6.364 -3.391 -9.798 750 HB3 LEU 93 1HB LEU 93 5.849 -4.498 -8.539 751 HG LEU 93 HG LEU 93 5.162 -1.556 -8.682 752 HD11 LEU 93 1HD1 LEU 93 3.459 -4.007 -9.140 753 HD12 LEU 93 2HD1 LEU 93 3.995 -2.866 -10.374 754 HD13 LEU 93 3HD1 LEU 93 2.883 -2.341 -9.111 755 HD21 LEU 93 3HD2 LEU 93 5.377 -2.360 -6.373 756 HD22 LEU 93 1HD2 LEU 93 4.251 -3.672 -6.726 757 HD23 LEU 93 2HD2 LEU 93 3.703 -1.996 -6.781 758 H ARG 94 H ARG 94 8.629 -4.184 -9.923 759 HA ARG 94 HA ARG 94 8.980 -6.794 -8.920 760 HB2 ARG 94 2HB ARG 94 10.507 -5.462 -11.163 761 HB3 ARG 94 1HB ARG 94 10.325 -7.195 -10.906 762 HG2 ARG 94 2HG ARG 94 7.893 -6.971 -11.230 763 HG3 ARG 94 1HG ARG 94 8.107 -5.248 -11.536 764 HD2 ARG 94 2HD ARG 94 9.583 -5.838 -13.458 765 HD3 ARG 94 1HD ARG 94 9.188 -7.538 -13.186 766 HE ARG 94 HE ARG 94 6.927 -5.759 -13.560 767 HH11 ARG 94 1HH1 ARG 94 9.083 -8.034 -14.993 768 HH12 ARG 94 2HH1 ARG 94 8.097 -8.246 -16.396 769 HH21 ARG 94 1HH2 ARG 94 5.663 -6.059 -15.361 770 HH22 ARG 94 2HH2 ARG 94 6.181 -7.148 -16.598 771 H LYS 95 H LYS 95 10.581 -4.118 -7.831 772 HA LYS 95 HA LYS 95 12.916 -5.723 -7.008 773 HB2 LYS 95 2HB LYS 95 13.424 -3.642 -8.280 774 HB3 LYS 95 1HB LYS 95 12.642 -2.704 -7.022 775 HG2 LYS 95 2HG LYS 95 14.938 -4.508 -6.337 776 HG3 LYS 95 1HG LYS 95 15.234 -2.928 -7.063 777 HD2 LYS 95 2HD LYS 95 13.941 -1.885 -5.225 778 HD3 LYS 95 1HD LYS 95 13.745 -3.473 -4.487 779 HE2 LYS 95 2HE LYS 95 16.404 -2.147 -5.028 780 HE3 LYS 95 1HE LYS 95 15.563 -2.109 -3.480 781 HZ1 LYS 95 3HZ LYS 95 16.573 -4.531 -4.866 782 HZ2 LYS 95 1HZ LYS 95 15.696 -4.537 -3.417 783 HZ3 LYS 95 2HZ LYS 95 17.222 -3.818 -3.481 784 H TYR 96 H TYR 96 10.231 -3.732 -5.862 785 HA TYR 96 HA TYR 96 11.030 -4.252 -3.059 786 HB2 TYR 96 2HB TYR 96 9.163 -2.140 -4.173 787 HB3 TYR 96 1HB TYR 96 9.521 -2.372 -2.466 788 HD1 TYR 96 HD1 TYR 96 11.830 -1.917 -1.620 789 HD2 TYR 96 HD2 TYR 96 10.641 -0.919 -5.584 790 HE1 TYR 96 HE1 TYR 96 13.754 -0.389 -1.814 791 HE2 TYR 96 HE2 TYR 96 12.558 0.601 -5.787 792 HH TYR 96 HH TYR 96 14.162 1.708 -4.610 793 H LYS 97 H LYS 97 9.149 -5.735 -5.224 794 HA LYS 97 HA LYS 97 6.551 -5.669 -4.153 795 HB2 LYS 97 2HB LYS 97 7.348 -6.490 -6.442 796 HB3 LYS 97 1HB LYS 97 7.736 -8.006 -5.644 797 HG2 LYS 97 2HG LYS 97 5.399 -8.279 -4.996 798 HG3 LYS 97 1HG LYS 97 5.005 -6.732 -5.754 799 HD2 LYS 97 2HD LYS 97 5.757 -7.613 -7.922 800 HD3 LYS 97 1HD LYS 97 6.121 -9.159 -7.158 801 HE2 LYS 97 2HE LYS 97 3.410 -7.855 -7.442 802 HE3 LYS 97 1HE LYS 97 3.980 -9.300 -8.277 803 HZ1 LYS 97 3HZ LYS 97 3.416 -9.010 -5.379 804 HZ2 LYS 97 1HZ LYS 97 4.161 -10.369 -6.059 805 HZ3 LYS 97 2HZ LYS 97 2.584 -9.961 -6.493 806 H TRP 98 H TRP 98 5.581 -6.741 -2.538 807 HA TRP 98 HA TRP 98 6.999 -7.977 -0.489 808 HB2 TRP 98 2HB TRP 98 4.864 -7.016 -0.029 809 HB3 TRP 98 1HB TRP 98 4.067 -8.051 -1.208 810 HD1 TRP 98 HD1 TRP 98 6.497 -9.472 1.419 811 HE1 TRP 98 HE1 TRP 98 5.176 -11.011 2.995 812 HE3 TRP 98 HE3 TRP 98 1.775 -8.514 -0.283 813 HZ2 TRP 98 HZ2 TRP 98 2.491 -11.723 3.461 814 HZ3 TRP 98 HZ3 TRP 98 -0.119 -9.665 0.785 815 HH2 TRP 98 HH2 TRP 98 0.235 -11.239 2.628 816 H GLN 99 H GLN 99 7.849 -9.930 -0.262 817 HA GLN 99 HA GLN 99 6.970 -12.119 -2.029 818 HB2 GLN 99 2HB GLN 99 9.558 -11.831 -0.475 819 HB3 GLN 99 1HB GLN 99 9.162 -13.136 -1.585 820 HG2 GLN 99 2HG GLN 99 9.183 -11.648 -3.458 821 HG3 GLN 99 1HG GLN 99 9.332 -10.242 -2.404 822 HE21 GLN 99 1HE2 GLN 99 11.063 -11.123 -4.579 823 HE22 GLN 99 2HE2 GLN 99 12.633 -11.318 -3.883 824 HA PRO 100 HA PRO 100 5.275 -13.482 2.064 825 HB2 PRO 100 2HB PRO 100 3.258 -14.969 0.998 826 HB3 PRO 100 1HB PRO 100 3.133 -13.223 1.247 827 HG2 PRO 100 2HG PRO 100 3.817 -14.726 -1.263 828 HG3 PRO 100 1HG PRO 100 2.683 -13.377 -1.044 829 HD2 PRO 100 2HD PRO 100 5.166 -12.991 -2.016 830 HD3 PRO 100 1HD PRO 100 4.388 -11.796 -0.960 831 H LEU 101 H LEU 101 6.390 -15.172 -0.764 832 HA LEU 101 HA LEU 101 6.749 -17.664 0.780 833 HB2 LEU 101 2HB LEU 101 6.892 -17.216 -2.212 834 HB3 LEU 101 1HB LEU 101 7.079 -18.760 -1.398 835 HG LEU 101 HG LEU 101 4.560 -17.087 -1.463 836 HD11 LEU 101 1HD1 LEU 101 3.650 -18.904 -2.820 837 HD12 LEU 101 2HD1 LEU 101 5.223 -19.706 -2.804 838 HD13 LEU 101 3HD1 LEU 101 5.037 -18.143 -3.600 839 HD21 LEU 101 3HD2 LEU 101 4.760 -18.295 0.651 840 HD22 LEU 101 1HD2 LEU 101 5.044 -19.801 -0.223 841 HD23 LEU 101 2HD2 LEU 101 3.485 -18.984 -0.351 842 H GLU 102 H GLU 102 8.797 -18.886 -0.358 843 HA GLU 102 HA GLU 102 11.058 -17.008 -0.452 844 HB2 GLU 102 2HB GLU 102 12.386 -18.681 0.934 845 HB3 GLU 102 1HB GLU 102 11.176 -17.736 1.788 846 HG2 GLU 102 2HG GLU 102 9.640 -19.642 1.728 847 HG3 GLU 102 1HG GLU 102 10.852 -20.593 0.870 Start of MODEL 19 1 H1 MET 1 1H MET 1 -14.580 -2.843 13.091 2 H2 MET 1 2H MET 1 -16.130 -2.181 12.967 3 H3 MET 1 3H MET 1 -14.791 -1.167 13.170 4 HA MET 1 HA MET 1 -15.594 -1.126 10.896 5 HB2 MET 1 2HB MET 1 -13.444 -1.586 9.781 6 HB3 MET 1 1HB MET 1 -13.228 -0.708 11.286 7 HG2 MET 1 2HG MET 1 -12.576 -2.780 12.406 8 HG3 MET 1 1HG MET 1 -12.795 -3.663 10.895 9 HE1 MET 1 3HE MET 1 -10.311 -4.622 11.197 10 HE2 MET 1 1HE MET 1 -10.079 -3.679 12.670 11 HE3 MET 1 2HE MET 1 -8.885 -3.602 11.374 12 H ASP 2 H ASP 2 -16.039 -2.196 8.932 13 HA ASP 2 HA ASP 2 -17.373 -4.644 9.233 14 HB2 ASP 2 2HB ASP 2 -17.999 -2.967 7.559 15 HB3 ASP 2 1HB ASP 2 -16.498 -3.264 6.685 16 H GLN 3 H GLN 3 -17.040 -6.671 8.142 17 HA GLN 3 HA GLN 3 -14.621 -7.909 8.650 18 HB2 GLN 3 2HB GLN 3 -16.780 -8.671 6.677 19 HB3 GLN 3 1HB GLN 3 -15.452 -9.732 7.133 20 HG2 GLN 3 2HG GLN 3 -17.535 -8.614 9.007 21 HG3 GLN 3 1HG GLN 3 -17.511 -10.250 8.352 22 HE21 GLN 3 1HE2 GLN 3 -16.084 -8.056 10.632 23 HE22 GLN 3 2HE2 GLN 3 -15.149 -9.233 11.482 24 H PHE 4 H PHE 4 -15.690 -6.395 5.622 25 HA PHE 4 HA PHE 4 -13.659 -7.223 3.912 26 HB2 PHE 4 2HB PHE 4 -15.495 -5.954 3.027 27 HB3 PHE 4 1HB PHE 4 -15.143 -4.587 4.079 28 HD1 PHE 4 HD1 PHE 4 -13.588 -6.602 1.343 29 HD2 PHE 4 HD2 PHE 4 -13.938 -2.799 3.229 30 HE1 PHE 4 HE1 PHE 4 -12.200 -5.602 -0.420 31 HE2 PHE 4 HE2 PHE 4 -12.550 -1.795 1.462 32 HZ PHE 4 HZ PHE 4 -11.680 -3.197 -0.365 33 H LEU 5 H LEU 5 -13.702 -4.434 6.101 34 HA LEU 5 HA LEU 5 -11.088 -3.519 5.492 35 HB2 LEU 5 2HB LEU 5 -12.741 -3.051 7.983 36 HB3 LEU 5 1HB LEU 5 -11.350 -2.107 7.477 37 HG LEU 5 HG LEU 5 -13.967 -2.298 5.967 38 HD11 LEU 5 1HD1 LEU 5 -12.838 -0.038 7.617 39 HD12 LEU 5 2HD1 LEU 5 -14.203 -1.066 8.058 40 HD13 LEU 5 3HD1 LEU 5 -14.325 0.008 6.664 41 HD21 LEU 5 3HD2 LEU 5 -11.510 -0.614 5.465 42 HD22 LEU 5 1HD2 LEU 5 -13.043 -0.466 4.607 43 HD23 LEU 5 2HD2 LEU 5 -12.095 -1.943 4.464 44 H VAL 6 H VAL 6 -12.374 -5.509 8.148 45 HA VAL 6 HA VAL 6 -10.044 -5.819 9.644 46 HB VAL 6 HB VAL 6 -12.220 -7.891 9.234 47 HG11 VAL 6 1HG1 VAL 6 -10.244 -8.869 10.265 48 HG12 VAL 6 2HG1 VAL 6 -11.540 -8.730 11.453 49 HG13 VAL 6 3HG1 VAL 6 -10.205 -7.578 11.467 50 HG21 VAL 6 3HG2 VAL 6 -13.252 -6.945 11.244 51 HG22 VAL 6 1HG2 VAL 6 -13.130 -5.736 9.965 52 HG23 VAL 6 2HG2 VAL 6 -11.997 -5.708 11.316 53 H GLN 7 H GLN 7 -11.221 -7.811 6.937 54 HA GLN 7 HA GLN 7 -9.126 -9.719 7.075 55 HB2 GLN 7 2HB GLN 7 -11.017 -9.026 4.821 56 HB3 GLN 7 1HB GLN 7 -9.914 -10.395 4.796 57 HG2 GLN 7 2HG GLN 7 -12.166 -9.961 6.757 58 HG3 GLN 7 1HG GLN 7 -12.154 -11.098 5.409 59 HE21 GLN 7 1HE2 GLN 7 -10.958 -10.427 8.594 60 HE22 GLN 7 2HE2 GLN 7 -10.312 -11.997 8.900 61 H ILE 8 H ILE 8 -9.597 -6.937 4.837 62 HA ILE 8 HA ILE 8 -7.249 -7.415 3.356 63 HB ILE 8 HB ILE 8 -7.399 -5.093 2.553 64 HG12 ILE 8 2HG1 ILE 8 -9.669 -4.815 4.549 65 HG13 ILE 8 1HG1 ILE 8 -8.107 -4.013 4.662 66 HG21 ILE 8 1HG2 ILE 8 -8.757 -6.812 1.502 67 HG22 ILE 8 2HG2 ILE 8 -9.624 -5.278 1.518 68 HG23 ILE 8 3HG2 ILE 8 -10.049 -6.540 2.673 69 HD11 ILE 8 3HD1 ILE 8 -10.160 -3.587 2.501 70 HD12 ILE 8 1HD1 ILE 8 -8.592 -2.786 2.603 71 HD13 ILE 8 2HD1 ILE 8 -9.813 -2.500 3.844 72 H PHE 9 H PHE 9 -7.762 -5.361 6.231 73 HA PHE 9 HA PHE 9 -5.141 -4.327 6.378 74 HB2 PHE 9 2HB PHE 9 -7.137 -4.838 8.603 75 HB3 PHE 9 1HB PHE 9 -5.664 -3.892 8.779 76 HD1 PHE 9 HD1 PHE 9 -6.286 -2.864 5.709 77 HD2 PHE 9 HD2 PHE 9 -8.250 -2.749 9.492 78 HE1 PHE 9 HE1 PHE 9 -7.493 -0.836 5.020 79 HE2 PHE 9 HE2 PHE 9 -9.463 -0.724 8.803 80 HZ PHE 9 HZ PHE 9 -9.086 0.234 6.562 81 H ALA 10 H ALA 10 -6.603 -7.224 7.823 82 HA ALA 10 HA ALA 10 -4.472 -8.160 9.335 83 HB1 ALA 10 3HB ALA 10 -6.701 -9.169 9.384 84 HB2 ALA 10 1HB ALA 10 -5.453 -10.385 9.105 85 HB3 ALA 10 2HB ALA 10 -6.449 -9.819 7.763 86 H VAL 11 H VAL 11 -5.058 -8.545 5.857 87 HA VAL 11 HA VAL 11 -2.874 -10.314 5.363 88 HB VAL 11 HB VAL 11 -4.322 -8.477 3.434 89 HG11 VAL 11 1HG1 VAL 11 -2.544 -10.862 2.896 90 HG12 VAL 11 2HG1 VAL 11 -2.173 -9.176 2.529 91 HG13 VAL 11 3HG1 VAL 11 -3.486 -9.995 1.682 92 HG21 VAL 11 3HG2 VAL 11 -5.835 -10.046 4.534 93 HG22 VAL 11 1HG2 VAL 11 -4.783 -11.392 4.095 94 HG23 VAL 11 2HG2 VAL 11 -5.619 -10.478 2.838 95 H ILE 12 H ILE 12 -3.238 -6.797 5.218 96 HA ILE 12 HA ILE 12 -0.802 -6.143 4.000 97 HB ILE 12 HB ILE 12 -2.360 -4.547 6.050 98 HG12 ILE 12 2HG1 ILE 12 -2.394 -4.355 3.023 99 HG13 ILE 12 1HG1 ILE 12 -3.603 -5.213 3.974 100 HG21 ILE 12 1HG2 ILE 12 -0.081 -3.702 5.859 101 HG22 ILE 12 2HG2 ILE 12 -1.214 -2.578 5.114 102 HG23 ILE 12 3HG2 ILE 12 -0.231 -3.635 4.103 103 HD11 ILE 12 3HD1 ILE 12 -3.008 -2.267 4.122 104 HD12 ILE 12 1HD1 ILE 12 -4.225 -3.128 5.068 105 HD13 ILE 12 2HD1 ILE 12 -4.385 -3.018 3.315 106 H HIS 13 H HIS 13 -1.523 -6.890 7.384 107 HA HIS 13 HA HIS 13 0.808 -5.974 8.590 108 HB2 HIS 13 2HB HIS 13 -0.980 -8.300 9.260 109 HB3 HIS 13 1HB HIS 13 0.424 -7.910 10.246 110 HD2 HIS 13 HD2 HIS 13 -3.207 -6.798 9.735 111 HE1 HIS 13 HE1 HIS 13 -1.374 -4.074 12.404 112 HE2 HIS 13 HE2 HIS 13 -3.573 -4.966 11.531 113 H GLN 14 H GLN 14 0.501 -8.755 6.478 114 HA GLN 14 HA GLN 14 2.951 -9.990 7.403 115 HB2 GLN 14 2HB GLN 14 1.063 -10.607 5.145 116 HB3 GLN 14 1HB GLN 14 2.618 -11.415 5.267 117 HG2 GLN 14 2HG GLN 14 1.075 -12.862 6.270 118 HG3 GLN 14 1HG GLN 14 1.942 -12.102 7.599 119 HE21 GLN 14 1HE2 GLN 14 -0.651 -10.689 5.680 120 HE22 GLN 14 2HE2 GLN 14 -1.773 -10.568 6.986 121 H ILE 15 H ILE 15 2.554 -7.243 5.640 122 HA ILE 15 HA ILE 15 4.641 -7.710 3.678 123 HB ILE 15 HB ILE 15 3.374 -5.082 4.491 124 HG12 ILE 15 2HG1 ILE 15 2.684 -6.921 2.176 125 HG13 ILE 15 1HG1 ILE 15 1.715 -6.719 3.630 126 HG21 ILE 15 1HG2 ILE 15 4.206 -4.280 2.318 127 HG22 ILE 15 2HG2 ILE 15 4.992 -5.836 2.050 128 HG23 ILE 15 3HG2 ILE 15 5.522 -4.797 3.374 129 HD11 ILE 15 3HD1 ILE 15 0.785 -5.455 1.793 130 HD12 ILE 15 1HD1 ILE 15 2.309 -4.592 1.584 131 HD13 ILE 15 2HD1 ILE 15 1.362 -4.367 3.055 132 HA PRO 16 HA PRO 16 7.719 -6.926 6.890 133 HB2 PRO 16 2HB PRO 16 9.911 -7.525 5.406 134 HB3 PRO 16 1HB PRO 16 8.836 -8.763 6.066 135 HG2 PRO 16 2HG PRO 16 8.922 -7.618 3.293 136 HG3 PRO 16 1HG PRO 16 8.761 -9.311 3.798 137 HD2 PRO 16 2HD PRO 16 6.640 -7.807 3.027 138 HD3 PRO 16 1HD PRO 16 6.508 -9.096 4.241 139 H LYS 17 H LYS 17 9.448 -5.434 7.304 140 HA LYS 17 HA LYS 17 8.992 -2.868 6.236 141 HB2 LYS 17 2HB LYS 17 9.884 -3.355 8.527 142 HB3 LYS 17 1HB LYS 17 11.430 -3.766 7.794 143 HG2 LYS 17 2HG LYS 17 11.551 -1.465 6.867 144 HG3 LYS 17 1HG LYS 17 10.061 -1.077 7.730 145 HD2 LYS 17 2HD LYS 17 11.212 -1.670 9.862 146 HD3 LYS 17 1HD LYS 17 12.705 -1.898 8.946 147 HE2 LYS 17 2HE LYS 17 12.783 0.295 9.876 148 HE3 LYS 17 1HE LYS 17 12.466 0.474 8.150 149 HZ1 LYS 17 3HZ LYS 17 10.463 0.675 10.334 150 HZ2 LYS 17 1HZ LYS 17 10.104 0.745 8.684 151 HZ3 LYS 17 2HZ LYS 17 11.058 1.942 9.387 152 H GLY 18 H GLY 18 9.291 -2.778 4.037 153 HA2 GLY 18 2HA GLY 18 11.363 -1.730 2.825 154 HA3 GLY 18 1HA GLY 18 11.949 -3.383 2.936 155 H LYS 19 H LYS 19 9.187 -4.451 2.569 156 HA LYS 19 HA LYS 19 9.168 -4.287 -0.356 157 HB2 LYS 19 2HB LYS 19 7.831 -6.227 1.545 158 HB3 LYS 19 1HB LYS 19 7.685 -6.295 -0.205 159 HG2 LYS 19 2HG LYS 19 10.229 -6.624 1.385 160 HG3 LYS 19 1HG LYS 19 9.319 -7.905 0.579 161 HD2 LYS 19 2HD LYS 19 9.718 -6.726 -1.593 162 HD3 LYS 19 1HD LYS 19 10.764 -5.594 -0.731 163 HE2 LYS 19 2HE LYS 19 12.175 -7.511 -0.022 164 HE3 LYS 19 1HE LYS 19 11.165 -8.575 -1.003 165 HZ1 LYS 19 3HZ LYS 19 11.782 -7.186 -2.946 166 HZ2 LYS 19 1HZ LYS 19 13.094 -7.993 -2.246 167 HZ3 LYS 19 2HZ LYS 19 12.872 -6.343 -1.964 168 H VAL 20 H VAL 20 7.049 -4.369 -1.467 169 HA VAL 20 HA VAL 20 4.792 -3.136 -0.066 170 HB VAL 20 HB VAL 20 4.387 -1.562 -1.937 171 HG11 VAL 20 1HG1 VAL 20 5.525 -0.752 0.067 172 HG12 VAL 20 2HG1 VAL 20 6.112 0.083 -1.371 173 HG13 VAL 20 3HG1 VAL 20 7.087 -1.187 -0.630 174 HG21 VAL 20 3HG2 VAL 20 7.104 -2.455 -2.917 175 HG22 VAL 20 1HG2 VAL 20 6.192 -1.086 -3.554 176 HG23 VAL 20 2HG2 VAL 20 5.557 -2.722 -3.720 177 H SER 21 H SER 21 2.758 -3.351 -1.274 178 HA SER 21 HA SER 21 2.788 -5.334 -3.449 179 HB2 SER 21 2HB SER 21 0.967 -6.615 -2.423 180 HB3 SER 21 1HB SER 21 2.369 -6.587 -1.354 181 HG SER 21 HG SER 21 0.762 -6.062 -0.017 182 H THR 22 H THR 22 0.288 -5.633 -4.137 183 HA THR 22 HA THR 22 -0.669 -2.886 -4.645 184 HB THR 22 HB THR 22 -1.784 -3.738 -6.628 185 HG1 THR 22 HG1 THR 22 -0.643 -6.295 -6.129 186 HG21 THR 22 3HG2 THR 22 0.162 -4.418 -7.950 187 HG22 THR 22 1HG2 THR 22 1.056 -4.769 -6.470 188 HG23 THR 22 2HG2 THR 22 0.584 -3.112 -6.842 189 H TYR 23 H TYR 23 -2.958 -2.453 -4.680 190 HA TYR 23 HA TYR 23 -4.426 -3.382 -2.503 191 HB2 TYR 23 2HB TYR 23 -5.573 -2.271 -5.079 192 HB3 TYR 23 1HB TYR 23 -6.377 -2.309 -3.515 193 HD1 TYR 23 HD2 TYR 23 -4.934 -1.109 -1.572 194 HD2 TYR 23 HD1 TYR 23 -4.649 -0.262 -5.734 195 HE1 TYR 23 HE2 TYR 23 -4.011 1.109 -1.056 196 HE2 TYR 23 HE1 TYR 23 -3.726 1.956 -5.225 197 HH TYR 23 HH TYR 23 -2.606 2.811 -2.143 198 H GLY 24 H GLY 24 -4.412 -4.499 -5.851 199 HA2 GLY 24 2HA GLY 24 -6.554 -6.298 -5.768 200 HA3 GLY 24 1HA GLY 24 -5.166 -6.427 -6.836 201 H GLU 25 H GLU 25 -3.084 -7.004 -5.243 202 HA GLU 25 HA GLU 25 -3.337 -9.732 -4.699 203 HB2 GLU 25 2HB GLU 25 -1.313 -7.747 -3.632 204 HB3 GLU 25 1HB GLU 25 -1.154 -9.495 -3.496 205 HG2 GLU 25 2HG GLU 25 -1.032 -9.726 -5.884 206 HG3 GLU 25 1HG GLU 25 -1.369 -8.011 -6.109 207 H ILE 26 H ILE 26 -3.319 -7.009 -2.401 208 HA ILE 26 HA ILE 26 -3.647 -8.485 -0.039 209 HB ILE 26 HB ILE 26 -4.648 -5.698 -0.678 210 HG12 ILE 26 2HG1 ILE 26 -2.221 -5.930 -0.967 211 HG13 ILE 26 1HG1 ILE 26 -2.586 -4.932 0.434 212 HG21 ILE 26 1HG2 ILE 26 -4.632 -5.333 1.766 213 HG22 ILE 26 2HG2 ILE 26 -4.284 -7.047 2.002 214 HG23 ILE 26 3HG2 ILE 26 -5.809 -6.548 1.268 215 HD11 ILE 26 3HD1 ILE 26 -0.752 -6.422 0.908 216 HD12 ILE 26 1HD1 ILE 26 -1.736 -7.818 0.476 217 HD13 ILE 26 2HD1 ILE 26 -2.147 -6.855 1.895 218 H ALA 27 H ALA 27 -6.127 -6.981 -2.121 219 HA ALA 27 HA ALA 27 -8.387 -7.792 -0.675 220 HB1 ALA 27 3HB ALA 27 -9.642 -7.350 -2.728 221 HB2 ALA 27 1HB ALA 27 -8.136 -7.310 -3.645 222 HB3 ALA 27 2HB ALA 27 -8.454 -6.084 -2.418 223 H LYS 28 H LYS 28 -6.726 -9.414 -3.379 224 HA LYS 28 HA LYS 28 -8.442 -11.599 -3.685 225 HB2 LYS 28 2HB LYS 28 -5.461 -11.372 -4.137 226 HB3 LYS 28 1HB LYS 28 -6.409 -12.771 -4.624 227 HG2 LYS 28 2HG LYS 28 -7.673 -11.471 -6.177 228 HG3 LYS 28 1HG LYS 28 -6.982 -9.968 -5.573 229 HD2 LYS 28 2HD LYS 28 -5.901 -10.470 -7.639 230 HD3 LYS 28 1HD LYS 28 -4.737 -10.781 -6.353 231 HE2 LYS 28 2HE LYS 28 -6.425 -12.954 -7.587 232 HE3 LYS 28 1HE LYS 28 -4.853 -12.490 -8.231 233 HZ1 LYS 28 3HZ LYS 28 -5.432 -13.643 -5.560 234 HZ2 LYS 28 1HZ LYS 28 -3.928 -12.991 -5.991 235 HZ3 LYS 28 2HZ LYS 28 -4.538 -14.333 -6.816 236 H MET 29 H MET 29 -5.460 -11.390 -1.724 237 HA MET 29 HA MET 29 -5.731 -13.970 -0.575 238 HB2 MET 29 2HB MET 29 -4.092 -11.550 0.150 239 HB3 MET 29 1HB MET 29 -4.066 -12.996 1.145 240 HG2 MET 29 2HG MET 29 -3.312 -14.311 -0.776 241 HG3 MET 29 1HG MET 29 -3.343 -12.861 -1.779 242 HE1 MET 29 3HE MET 29 -2.193 -10.596 -0.019 243 HE2 MET 29 1HE MET 29 -1.623 -10.920 -1.654 244 HE3 MET 29 2HE MET 29 -0.465 -10.712 -0.342 245 H ALA 30 H ALA 30 -7.031 -10.846 0.333 246 HA ALA 30 HA ALA 30 -7.877 -11.608 2.959 247 HB1 ALA 30 3HB ALA 30 -9.234 -9.573 2.897 248 HB2 ALA 30 1HB ALA 30 -8.907 -9.401 1.171 249 HB3 ALA 30 2HB ALA 30 -7.590 -9.263 2.336 250 H GLY 31 H GLY 31 -9.239 -11.930 -0.241 251 HA2 GLY 31 2HA GLY 31 -10.850 -13.691 -0.656 252 HA3 GLY 31 1HA GLY 31 -11.553 -13.365 0.920 253 H TYR 32 H TYR 32 -10.741 -10.547 -0.815 254 HA TYR 32 HA TYR 32 -13.502 -10.262 -1.829 255 HB2 TYR 32 2HB TYR 32 -11.884 -8.126 -0.409 256 HB3 TYR 32 1HB TYR 32 -13.482 -7.902 -1.111 257 HD1 TYR 32 HD2 TYR 32 -11.592 -9.529 1.610 258 HD2 TYR 32 HD1 TYR 32 -15.459 -8.633 0.057 259 HE1 TYR 32 HE2 TYR 32 -12.603 -10.202 3.748 260 HE2 TYR 32 HE1 TYR 32 -16.475 -9.307 2.196 261 HH TYR 32 HH TYR 32 -15.938 -10.714 4.128 262 HA PRO 33 HA PRO 33 -10.308 -9.215 -5.135 263 HB2 PRO 33 2HB PRO 33 -11.334 -10.821 -7.077 264 HB3 PRO 33 1HB PRO 33 -10.145 -11.381 -5.898 265 HG2 PRO 33 2HG PRO 33 -13.120 -11.741 -5.904 266 HG3 PRO 33 1HG PRO 33 -11.852 -12.922 -5.522 267 HD2 PRO 33 2HD PRO 33 -13.262 -11.620 -3.603 268 HD3 PRO 33 1HD PRO 33 -11.570 -12.111 -3.373 269 H GLY 34 H GLY 34 -10.638 -7.731 -6.789 270 HA2 GLY 34 2HA GLY 34 -11.845 -6.390 -8.279 271 HA3 GLY 34 1HA GLY 34 -13.329 -7.165 -7.750 272 H TYR 35 H TYR 35 -12.155 -6.455 -4.889 273 HA TYR 35 HA TYR 35 -13.394 -3.792 -4.786 274 HB2 TYR 35 2HB TYR 35 -12.770 -5.820 -2.624 275 HB3 TYR 35 1HB TYR 35 -13.416 -4.214 -2.295 276 HD1 TYR 35 HD1 TYR 35 -14.154 -7.486 -3.857 277 HD2 TYR 35 HD2 TYR 35 -15.736 -3.713 -2.662 278 HE1 TYR 35 HE1 TYR 35 -16.435 -8.333 -4.210 279 HE2 TYR 35 HE2 TYR 35 -18.018 -4.555 -3.017 280 HH TYR 35 HH TYR 35 -18.694 -7.877 -3.525 281 H ALA 36 H ALA 36 -10.532 -4.491 -5.609 282 HA ALA 36 HA ALA 36 -8.635 -3.691 -3.761 283 HB1 ALA 36 3HB ALA 36 -7.197 -3.207 -5.651 284 HB2 ALA 36 1HB ALA 36 -8.593 -3.137 -6.727 285 HB3 ALA 36 2HB ALA 36 -8.141 -4.663 -5.967 286 H ARG 37 H ARG 37 -10.526 -1.635 -5.963 287 HA ARG 37 HA ARG 37 -9.364 0.834 -5.396 288 HB2 ARG 37 2HB ARG 37 -11.523 1.817 -6.140 289 HB3 ARG 37 1HB ARG 37 -10.918 0.571 -7.226 290 HG2 ARG 37 2HG ARG 37 -12.474 -1.046 -6.246 291 HG3 ARG 37 1HG ARG 37 -13.084 0.202 -5.158 292 HD2 ARG 37 2HD ARG 37 -13.886 1.500 -7.045 293 HD3 ARG 37 1HD ARG 37 -13.200 0.327 -8.172 294 HE ARG 37 HE ARG 37 -14.829 -1.237 -6.795 295 HH11 ARG 37 1HH1 ARG 37 -15.387 1.911 -8.066 296 HH12 ARG 37 2HH1 ARG 37 -17.082 1.647 -8.261 297 HH21 ARG 37 1HH2 ARG 37 -16.994 -1.579 -7.077 298 HH22 ARG 37 2HH2 ARG 37 -17.984 -0.311 -7.710 299 H HIS 38 H HIS 38 -11.861 -0.921 -3.590 300 HA HIS 38 HA HIS 38 -12.455 1.238 -1.805 301 HB2 HIS 38 2HB HIS 38 -13.061 -1.722 -1.691 302 HB3 HIS 38 1HB HIS 38 -13.566 -0.597 -0.434 303 HD2 HIS 38 HD2 HIS 38 -14.631 -1.776 -3.936 304 HE1 HIS 38 HE1 HIS 38 -17.158 1.417 -2.788 305 HE2 HIS 38 HE2 HIS 38 -16.876 -0.543 -4.357 306 H VAL 39 H VAL 39 -10.195 -1.469 -1.747 307 HA VAL 39 HA VAL 39 -9.290 -1.295 0.889 308 HB VAL 39 HB VAL 39 -7.593 -1.855 -1.566 309 HG11 VAL 39 1HG1 VAL 39 -7.136 -2.557 1.340 310 HG12 VAL 39 2HG1 VAL 39 -6.220 -1.388 0.388 311 HG13 VAL 39 3HG1 VAL 39 -6.142 -3.103 -0.011 312 HG21 VAL 39 3HG2 VAL 39 -9.132 -3.770 0.198 313 HG22 VAL 39 1HG2 VAL 39 -8.053 -4.226 -1.123 314 HG23 VAL 39 2HG2 VAL 39 -9.536 -3.334 -1.462 315 H GLY 40 H GLY 40 -8.031 0.413 -1.993 316 HA2 GLY 40 2HA GLY 40 -6.193 2.090 -0.720 317 HA3 GLY 40 1HA GLY 40 -7.022 2.467 -2.221 318 H LYS 41 H LYS 41 -9.654 2.628 -1.314 319 HA LYS 41 HA LYS 41 -9.817 5.255 -0.343 320 HB2 LYS 41 2HB LYS 41 -11.907 3.065 -0.373 321 HB3 LYS 41 1HB LYS 41 -12.249 4.743 0.024 322 HG2 LYS 41 2HG LYS 41 -11.514 5.423 -2.211 323 HG3 LYS 41 1HG LYS 41 -11.179 3.738 -2.610 324 HD2 LYS 41 2HD LYS 41 -13.301 4.232 -3.550 325 HD3 LYS 41 1HD LYS 41 -13.612 3.256 -2.118 326 HE2 LYS 41 2HE LYS 41 -13.801 6.273 -2.217 327 HE3 LYS 41 1HE LYS 41 -15.171 5.179 -2.376 328 HZ1 LYS 41 3HZ LYS 41 -14.641 4.327 -0.140 329 HZ2 LYS 41 1HZ LYS 41 -15.046 5.970 -0.142 330 HZ3 LYS 41 2HZ LYS 41 -13.432 5.502 0.009 331 H ALA 42 H ALA 42 -9.888 2.180 1.354 332 HA ALA 42 HA ALA 42 -10.646 3.261 3.902 333 HB1 ALA 42 3HB ALA 42 -9.362 0.611 3.223 334 HB2 ALA 42 1HB ALA 42 -11.093 0.928 3.326 335 HB3 ALA 42 2HB ALA 42 -10.090 1.039 4.772 336 H LEU 43 H LEU 43 -7.570 2.344 2.393 337 HA LEU 43 HA LEU 43 -5.938 2.746 4.668 338 HB2 LEU 43 2HB LEU 43 -5.212 2.891 1.737 339 HB3 LEU 43 1HB LEU 43 -4.062 2.782 3.058 340 HG LEU 43 HG LEU 43 -6.082 0.665 2.286 341 HD11 LEU 43 1HD1 LEU 43 -3.074 0.717 2.034 342 HD12 LEU 43 2HD1 LEU 43 -4.238 0.807 0.709 343 HD13 LEU 43 3HD1 LEU 43 -4.116 -0.662 1.676 344 HD21 LEU 43 3HD2 LEU 43 -4.987 -0.729 3.979 345 HD22 LEU 43 1HD2 LEU 43 -5.740 0.694 4.697 346 HD23 LEU 43 2HD2 LEU 43 -3.992 0.644 4.466 347 H GLY 44 H GLY 44 -6.820 4.925 1.996 348 HA2 GLY 44 2HA GLY 44 -5.158 7.080 2.580 349 HA3 GLY 44 1HA GLY 44 -6.732 7.212 1.815 350 H ASN 45 H ASN 45 -8.036 6.047 4.263 351 HA ASN 45 HA ASN 45 -8.492 8.562 5.601 352 HB2 ASN 45 2HB ASN 45 -9.627 5.817 6.195 353 HB3 ASN 45 1HB ASN 45 -10.209 7.340 6.861 354 HD21 ASN 45 1HD2 ASN 45 -11.541 5.313 5.197 355 HD22 ASN 45 2HD2 ASN 45 -12.132 6.170 3.817 356 H LEU 46 H LEU 46 -6.473 5.846 6.148 357 HA LEU 46 HA LEU 46 -6.320 5.931 8.987 358 HB2 LEU 46 2HB LEU 46 -4.500 4.786 6.871 359 HB3 LEU 46 1HB LEU 46 -4.151 4.649 8.586 360 HG LEU 46 HG LEU 46 -6.676 3.589 7.299 361 HD11 LEU 46 1HD1 LEU 46 -4.148 2.112 8.042 362 HD12 LEU 46 2HD1 LEU 46 -4.742 2.408 6.408 363 HD13 LEU 46 3HD1 LEU 46 -5.655 1.372 7.501 364 HD21 LEU 46 3HD2 LEU 46 -6.920 4.076 9.669 365 HD22 LEU 46 1HD2 LEU 46 -5.457 3.160 10.033 366 HD23 LEU 46 2HD2 LEU 46 -6.886 2.332 9.410 367 HA PRO 47 HA PRO 47 -3.520 9.374 9.447 368 HB2 PRO 47 2HB PRO 47 -2.862 9.098 12.022 369 HB3 PRO 47 1HB PRO 47 -4.524 9.462 11.543 370 HG2 PRO 47 2HG PRO 47 -3.321 6.844 12.361 371 HG3 PRO 47 1HG PRO 47 -4.891 7.542 12.800 372 HD2 PRO 47 2HD PRO 47 -4.505 5.656 10.800 373 HD3 PRO 47 1HD PRO 47 -5.898 6.750 10.905 374 H GLU 48 H GLU 48 -1.262 9.833 10.431 375 HA GLU 48 HA GLU 48 0.622 8.133 9.126 376 HB2 GLU 48 2HB GLU 48 1.105 10.443 11.030 377 HB3 GLU 48 1HB GLU 48 2.327 9.683 10.022 378 HG2 GLU 48 2HG GLU 48 1.755 11.628 8.873 379 HG3 GLU 48 1HG GLU 48 0.880 10.353 8.032 380 H GLY 49 H GLY 49 -0.331 8.618 12.482 381 HA2 GLY 49 2HA GLY 49 1.712 6.742 13.433 382 HA3 GLY 49 1HA GLY 49 0.664 7.734 14.431 383 H SER 50 H SER 50 -0.215 5.479 11.818 384 HA SER 50 HA SER 50 -2.151 4.196 13.558 385 HB2 SER 50 2HB SER 50 -2.769 4.647 11.224 386 HB3 SER 50 1HB SER 50 -1.443 3.628 10.665 387 HG SER 50 HG SER 50 -3.930 2.923 11.502 388 H LYS 51 H LYS 51 -2.270 1.850 13.803 389 HA LYS 51 HA LYS 51 0.314 0.680 14.398 390 HB2 LYS 51 2HB LYS 51 -1.696 0.456 15.874 391 HB3 LYS 51 1HB LYS 51 -2.451 -0.537 14.638 392 HG2 LYS 51 2HG LYS 51 -0.808 -2.261 14.921 393 HG3 LYS 51 1HG LYS 51 0.155 -1.235 15.988 394 HD2 LYS 51 2HD LYS 51 -2.625 -2.288 16.564 395 HD3 LYS 51 1HD LYS 51 -1.122 -2.886 17.272 396 HE2 LYS 51 2HE LYS 51 -0.735 -0.655 18.265 397 HE3 LYS 51 1HE LYS 51 -2.273 -0.108 17.597 398 HZ1 LYS 51 3HZ LYS 51 -2.544 -0.705 19.887 399 HZ2 LYS 51 1HZ LYS 51 -1.892 -2.243 19.625 400 HZ3 LYS 51 2HZ LYS 51 -3.375 -1.822 18.933 401 H LEU 52 H LEU 52 -1.736 0.774 11.732 402 HA LEU 52 HA LEU 52 -0.666 -1.714 10.560 403 HB2 LEU 52 2HB LEU 52 -3.094 -1.566 10.561 404 HB3 LEU 52 1HB LEU 52 -3.030 0.009 9.793 405 HG LEU 52 HG LEU 52 -1.930 -1.150 7.806 406 HD11 LEU 52 1HD1 LEU 52 -2.349 -3.553 7.570 407 HD12 LEU 52 2HD1 LEU 52 -2.951 -3.610 9.227 408 HD13 LEU 52 3HD1 LEU 52 -1.262 -3.210 8.916 409 HD21 LEU 52 3HD2 LEU 52 -4.076 -1.912 6.902 410 HD22 LEU 52 1HD2 LEU 52 -4.234 -0.381 7.760 411 HD23 LEU 52 2HD2 LEU 52 -4.768 -1.878 8.523 412 HA PRO 53 HA PRO 53 1.765 1.074 7.927 413 HB2 PRO 53 2HB PRO 53 2.991 -0.845 6.433 414 HB3 PRO 53 1HB PRO 53 3.514 -0.430 8.070 415 HG2 PRO 53 2HG PRO 53 1.829 -2.728 7.143 416 HG3 PRO 53 1HG PRO 53 3.122 -2.705 8.356 417 HD2 PRO 53 2HD PRO 53 0.465 -2.670 8.994 418 HD3 PRO 53 1HD PRO 53 1.721 -1.945 10.016 419 H TRP 54 H TRP 54 -0.008 1.971 6.818 420 HA TRP 54 HA TRP 54 -1.352 0.457 4.735 421 HB2 TRP 54 2HB TRP 54 -2.701 2.530 4.457 422 HB3 TRP 54 1HB TRP 54 -2.697 1.927 6.110 423 HD1 TRP 54 HD1 TRP 54 -1.515 3.446 7.972 424 HE1 TRP 54 HE1 TRP 54 -0.786 5.915 7.986 425 HE3 TRP 54 HE3 TRP 54 -1.729 4.378 2.949 426 HZ2 TRP 54 HZ2 TRP 54 -0.345 7.985 6.109 427 HZ3 TRP 54 HZ3 TRP 54 -1.138 6.623 2.138 428 HH2 TRP 54 HH2 TRP 54 -0.468 8.386 3.677 429 H PHE 55 H PHE 55 1.342 2.515 4.945 430 HA PHE 55 HA PHE 55 1.175 3.725 2.368 431 HB2 PHE 55 2HB PHE 55 3.557 4.395 2.821 432 HB3 PHE 55 1HB PHE 55 2.394 4.895 4.038 433 HD1 PHE 55 HD1 PHE 55 5.208 2.643 3.318 434 HD2 PHE 55 HD2 PHE 55 2.456 3.998 6.276 435 HE1 PHE 55 HE1 PHE 55 6.582 1.607 5.072 436 HE2 PHE 55 HE2 PHE 55 3.832 2.963 8.033 437 HZ PHE 55 HZ PHE 55 5.897 1.765 7.433 438 H ARG 56 H ARG 56 1.823 0.550 3.141 439 HA ARG 56 HA ARG 56 3.834 0.197 1.025 440 HB2 ARG 56 2HB ARG 56 2.859 -1.689 3.178 441 HB3 ARG 56 1HB ARG 56 4.021 -2.132 1.932 442 HG2 ARG 56 2HG ARG 56 5.474 -0.256 2.749 443 HG3 ARG 56 1HG ARG 56 4.358 -0.072 4.102 444 HD2 ARG 56 2HD ARG 56 4.831 -2.305 4.869 445 HD3 ARG 56 1HD ARG 56 5.801 -2.639 3.433 446 HE ARG 56 HE ARG 56 6.621 -1.227 5.789 447 HH11 ARG 56 1HH1 ARG 56 7.202 -1.702 2.424 448 HH12 ARG 56 2HH1 ARG 56 8.801 -1.049 2.495 449 HH21 ARG 56 1HH2 ARG 56 8.686 -0.419 5.881 450 HH22 ARG 56 2HH2 ARG 56 9.635 -0.343 4.438 451 H VAL 57 H VAL 57 0.703 0.496 0.825 452 HA VAL 57 HA VAL 57 0.392 -1.755 -1.066 453 HB VAL 57 HB VAL 57 -1.896 -0.468 0.436 454 HG11 VAL 57 1HG1 VAL 57 -2.495 -1.546 -1.675 455 HG12 VAL 57 2HG1 VAL 57 -3.147 -2.437 -0.300 456 HG13 VAL 57 3HG1 VAL 57 -1.720 -3.038 -1.144 457 HG21 VAL 57 3HG2 VAL 57 -0.437 -3.032 1.105 458 HG22 VAL 57 1HG2 VAL 57 -1.933 -2.478 1.858 459 HG23 VAL 57 2HG2 VAL 57 -0.448 -1.552 2.067 460 H ILE 58 H ILE 58 0.458 -1.018 -3.072 461 HA ILE 58 HA ILE 58 -0.805 1.578 -3.728 462 HB ILE 58 HB ILE 58 0.894 1.861 -5.503 463 HG12 ILE 58 2HG1 ILE 58 2.182 -0.583 -4.240 464 HG13 ILE 58 1HG1 ILE 58 1.473 -0.508 -5.850 465 HG21 ILE 58 1HG2 ILE 58 2.756 2.477 -4.025 466 HG22 ILE 58 2HG2 ILE 58 2.049 1.511 -2.730 467 HG23 ILE 58 3HG2 ILE 58 1.201 2.937 -3.329 468 HD11 ILE 58 3HD1 ILE 58 3.872 -0.403 -5.986 469 HD12 ILE 58 1HD1 ILE 58 3.906 0.980 -4.893 470 HD13 ILE 58 2HD1 ILE 58 3.182 1.138 -6.493 471 H ASN 59 H ASN 59 -0.674 1.483 -6.509 472 HA ASN 59 HA ASN 59 -2.763 -0.481 -7.009 473 HB2 ASN 59 2HB ASN 59 -3.141 0.698 -9.117 474 HB3 ASN 59 1HB ASN 59 -3.114 1.819 -7.763 475 HD21 ASN 59 1HD2 ASN 59 -2.635 3.568 -9.040 476 HD22 ASN 59 2HD2 ASN 59 -1.102 3.791 -9.799 477 H SER 60 H SER 60 -2.780 -1.593 -9.210 478 HA SER 60 HA SER 60 -0.611 -3.411 -9.276 479 HB2 SER 60 2HB SER 60 -1.755 -4.344 -11.304 480 HB3 SER 60 1HB SER 60 -2.797 -4.182 -9.893 481 HG SER 60 HG SER 60 -4.040 -3.178 -11.257 482 H GLN 61 H GLN 61 -0.845 -0.349 -10.682 483 HA GLN 61 HA GLN 61 0.992 -0.990 -12.876 484 HB2 GLN 61 2HB GLN 61 -0.374 1.619 -12.173 485 HB3 GLN 61 1HB GLN 61 0.622 1.342 -13.595 486 HG2 GLN 61 2HG GLN 61 -2.017 0.027 -12.960 487 HG3 GLN 61 1HG GLN 61 -1.716 1.255 -14.188 488 HE21 GLN 61 1HE2 GLN 61 -0.578 0.669 -16.068 489 HE22 GLN 61 2HE2 GLN 61 -0.416 -0.980 -16.553 490 H GLY 62 H GLY 62 1.474 -0.631 -9.763 491 HA2 GLY 62 2HA GLY 62 3.369 -0.207 -8.534 492 HA3 GLY 62 1HA GLY 62 4.212 0.082 -10.047 493 H LYS 63 H LYS 63 1.417 1.845 -8.754 494 HA LYS 63 HA LYS 63 3.121 4.186 -8.263 495 HB2 LYS 63 2HB LYS 63 0.610 4.275 -9.956 496 HB3 LYS 63 1HB LYS 63 1.598 5.656 -9.502 497 HG2 LYS 63 2HG LYS 63 3.472 4.745 -10.782 498 HG3 LYS 63 1HG LYS 63 2.491 3.348 -11.226 499 HD2 LYS 63 2HD LYS 63 0.874 4.926 -12.308 500 HD3 LYS 63 1HD LYS 63 2.025 6.231 -11.998 501 HE2 LYS 63 2HE LYS 63 2.284 5.405 -14.268 502 HE3 LYS 63 1HE LYS 63 3.722 5.037 -13.314 503 HZ1 LYS 63 3HZ LYS 63 2.834 2.774 -12.998 504 HZ2 LYS 63 1HZ LYS 63 3.114 3.138 -14.625 505 HZ3 LYS 63 2HZ LYS 63 1.538 3.149 -14.017 506 H ILE 64 H ILE 64 2.116 5.837 -6.981 507 HA ILE 64 HA ILE 64 0.479 4.830 -4.865 508 HB ILE 64 HB ILE 64 1.340 7.673 -5.479 509 HG12 ILE 64 2HG1 ILE 64 2.537 5.592 -3.618 510 HG13 ILE 64 1HG1 ILE 64 3.250 6.167 -5.122 511 HG21 ILE 64 1HG2 ILE 64 0.178 6.503 -2.946 512 HG22 ILE 64 2HG2 ILE 64 -0.600 7.666 -4.019 513 HG23 ILE 64 3HG2 ILE 64 0.836 8.132 -3.108 514 HD11 ILE 64 3HD1 ILE 64 3.456 8.410 -4.139 515 HD12 ILE 64 1HD1 ILE 64 4.335 7.184 -3.224 516 HD13 ILE 64 2HD1 ILE 64 2.790 7.790 -2.627 517 H SER 65 H SER 65 -1.695 4.608 -4.984 518 HA SER 65 HA SER 65 -3.290 5.842 -7.002 519 HB2 SER 65 2HB SER 65 -3.918 3.678 -6.001 520 HB3 SER 65 1HB SER 65 -4.190 4.472 -4.451 521 HG SER 65 HG SER 65 -6.020 4.074 -6.111 522 H LEU 66 H LEU 66 -2.571 6.631 -3.663 523 HA LEU 66 HA LEU 66 -4.519 8.643 -3.268 524 HB2 LEU 66 2HB LEU 66 -1.769 8.438 -2.022 525 HB3 LEU 66 1HB LEU 66 -3.118 9.368 -1.403 526 HG LEU 66 HG LEU 66 -2.936 6.355 -1.552 527 HD11 LEU 66 1HD1 LEU 66 -1.597 7.323 0.229 528 HD12 LEU 66 2HD1 LEU 66 -2.988 6.456 0.878 529 HD13 LEU 66 3HD1 LEU 66 -3.000 8.218 0.815 530 HD21 LEU 66 3HD2 LEU 66 -5.098 6.333 -0.393 531 HD22 LEU 66 1HD2 LEU 66 -5.226 7.063 -1.993 532 HD23 LEU 66 2HD2 LEU 66 -5.202 8.087 -0.556 533 H LYS 67 H LYS 67 -4.327 10.953 -3.385 534 HA LYS 67 HA LYS 67 -2.147 11.929 -5.124 535 HB2 LYS 67 2HB LYS 67 -3.835 13.331 -6.331 536 HB3 LYS 67 1HB LYS 67 -4.016 11.602 -6.587 537 HG2 LYS 67 2HG LYS 67 -5.820 11.588 -4.874 538 HG3 LYS 67 1HG LYS 67 -5.687 13.347 -4.782 539 HD2 LYS 67 2HD LYS 67 -6.282 13.534 -7.141 540 HD3 LYS 67 1HD LYS 67 -6.346 11.776 -7.282 541 HE2 LYS 67 2HE LYS 67 -8.589 12.679 -7.069 542 HE3 LYS 67 1HE LYS 67 -8.182 11.727 -5.644 543 HZ1 LYS 67 3HZ LYS 67 -9.282 13.789 -5.051 544 HZ2 LYS 67 1HZ LYS 67 -8.081 14.690 -5.829 545 HZ3 LYS 67 2HZ LYS 67 -7.702 13.774 -4.461 546 H GLY 68 H GLY 68 -1.552 14.113 -4.903 547 HA2 GLY 68 2HA GLY 68 -1.332 16.172 -3.903 548 HA3 GLY 68 1HA GLY 68 -2.913 15.940 -3.177 549 H ARG 69 H ARG 69 -2.882 15.992 -1.038 550 HA ARG 69 HA ARG 69 -0.517 15.955 0.510 551 HB2 ARG 69 2HB ARG 69 -3.413 15.683 1.351 552 HB3 ARG 69 1HB ARG 69 -2.073 15.946 2.462 553 HG2 ARG 69 2HG ARG 69 -1.608 18.099 1.439 554 HG3 ARG 69 1HG ARG 69 -2.882 17.832 0.247 555 HD2 ARG 69 2HD ARG 69 -3.575 19.321 2.105 556 HD3 ARG 69 1HD ARG 69 -4.570 17.871 1.972 557 HE ARG 69 HE ARG 69 -2.997 17.006 3.815 558 HH11 ARG 69 1HH1 ARG 69 -4.031 20.278 3.500 559 HH12 ARG 69 2HH1 ARG 69 -3.932 20.586 5.196 560 HH21 ARG 69 1HH2 ARG 69 -2.878 17.408 5.979 561 HH22 ARG 69 2HH2 ARG 69 -3.261 18.983 6.588 562 H ASP 70 H ASP 70 -3.099 13.520 0.119 563 HA ASP 70 HA ASP 70 -2.045 11.571 1.832 564 HB2 ASP 70 2HB ASP 70 -3.739 11.280 -0.655 565 HB3 ASP 70 1HB ASP 70 -3.365 9.945 0.427 566 H LEU 71 H LEU 71 -1.302 12.274 -1.554 567 HA LEU 71 HA LEU 71 0.304 10.013 -2.080 568 HB2 LEU 71 2HB LEU 71 -0.609 11.677 -3.763 569 HB3 LEU 71 1HB LEU 71 0.667 12.773 -3.271 570 HG LEU 71 HG LEU 71 1.268 10.022 -4.379 571 HD11 LEU 71 1HD1 LEU 71 1.605 11.076 -6.564 572 HD12 LEU 71 2HD1 LEU 71 0.995 12.603 -5.924 573 HD13 LEU 71 3HD1 LEU 71 -0.074 11.203 -6.038 574 HD21 LEU 71 3HD2 LEU 71 3.431 11.059 -4.959 575 HD22 LEU 71 1HD2 LEU 71 3.123 11.096 -3.223 576 HD23 LEU 71 2HD2 LEU 71 2.909 12.555 -4.186 577 H ASP 72 H ASP 72 1.259 13.328 -1.141 578 HA ASP 72 HA ASP 72 3.993 12.848 -0.758 579 HB2 ASP 72 2HB ASP 72 3.014 15.095 -0.883 580 HB3 ASP 72 1HB ASP 72 2.182 14.827 0.644 581 H ARG 73 H ARG 73 1.256 12.303 1.349 582 HA ARG 73 HA ARG 73 2.677 11.936 3.770 583 HB2 ARG 73 2HB ARG 73 0.246 12.464 3.561 584 HB3 ARG 73 1HB ARG 73 -0.029 10.822 3.004 585 HG2 ARG 73 2HG ARG 73 0.476 9.903 5.098 586 HG3 ARG 73 1HG ARG 73 1.262 11.381 5.654 587 HD2 ARG 73 2HD ARG 73 -0.930 11.106 6.697 588 HD3 ARG 73 1HD ARG 73 -0.887 12.540 5.672 589 HE ARG 73 HE ARG 73 -2.102 11.172 3.994 590 HH11 ARG 73 1HH1 ARG 73 -2.232 10.338 7.326 591 HH12 ARG 73 2HH1 ARG 73 -3.740 9.505 7.169 592 HH21 ARG 73 1HH2 ARG 73 -4.064 10.156 3.808 593 HH22 ARG 73 2HH2 ARG 73 -4.778 9.414 5.196 594 H GLN 74 H GLN 74 1.261 9.504 1.523 595 HA GLN 74 HA GLN 74 2.451 7.246 2.743 596 HB2 GLN 74 2HB GLN 74 0.616 6.978 1.170 597 HB3 GLN 74 1HB GLN 74 1.566 7.694 -0.125 598 HG2 GLN 74 2HG GLN 74 3.072 5.801 -0.122 599 HG3 GLN 74 1HG GLN 74 2.241 5.102 1.264 600 HE21 GLN 74 1HE2 GLN 74 0.214 4.129 0.942 601 HE22 GLN 74 2HE2 GLN 74 -0.349 3.699 -0.625 602 H LYS 75 H LYS 75 3.466 9.222 -0.003 603 HA LYS 75 HA LYS 75 5.859 8.146 -0.758 604 HB2 LYS 75 2HB LYS 75 5.071 9.944 -2.003 605 HB3 LYS 75 1HB LYS 75 4.810 10.944 -0.585 606 HG2 LYS 75 2HG LYS 75 7.281 11.178 -0.367 607 HG3 LYS 75 1HG LYS 75 7.447 10.309 -1.901 608 HD2 LYS 75 2HD LYS 75 6.217 12.008 -3.069 609 HD3 LYS 75 1HD LYS 75 5.796 12.816 -1.560 610 HE2 LYS 75 2HE LYS 75 8.184 13.308 -1.188 611 HE3 LYS 75 1HE LYS 75 8.562 12.554 -2.737 612 HZ1 LYS 75 3HZ LYS 75 7.286 14.211 -3.866 613 HZ2 LYS 75 1HZ LYS 75 8.390 14.990 -2.850 614 HZ3 LYS 75 2HZ LYS 75 6.762 14.887 -2.409 615 H GLN 76 H GLN 76 5.518 10.660 1.776 616 HA GLN 76 HA GLN 76 8.185 10.753 2.563 617 HB2 GLN 76 2HB GLN 76 5.599 11.445 3.901 618 HB3 GLN 76 1HB GLN 76 7.076 11.457 4.861 619 HG2 GLN 76 2HG GLN 76 8.057 13.031 3.190 620 HG3 GLN 76 1HG GLN 76 6.477 13.099 2.407 621 HE21 GLN 76 1HE2 GLN 76 4.784 14.147 3.456 622 HE22 GLN 76 2HE2 GLN 76 5.043 15.196 4.803 623 H LYS 77 H LYS 77 5.586 8.652 3.811 624 HA LYS 77 HA LYS 77 7.110 7.382 5.818 625 HB2 LYS 77 2HB LYS 77 4.738 6.382 4.224 626 HB3 LYS 77 1HB LYS 77 5.405 5.545 5.621 627 HG2 LYS 77 2HG LYS 77 4.231 8.326 5.628 628 HG3 LYS 77 1HG LYS 77 3.439 6.861 6.219 629 HD2 LYS 77 2HD LYS 77 5.094 6.593 7.950 630 HD3 LYS 77 1HD LYS 77 6.057 7.918 7.299 631 HE2 LYS 77 2HE LYS 77 4.171 9.461 7.790 632 HE3 LYS 77 1HE LYS 77 3.316 8.118 8.549 633 HZ1 LYS 77 3HZ LYS 77 4.482 9.496 10.170 634 HZ2 LYS 77 1HZ LYS 77 5.956 9.173 9.412 635 HZ3 LYS 77 2HZ LYS 77 5.099 7.923 10.158 636 H LEU 78 H LEU 78 6.632 6.565 2.402 637 HA LEU 78 HA LEU 78 8.068 4.133 2.400 638 HB2 LEU 78 2HB LEU 78 7.561 6.118 0.183 639 HB3 LEU 78 1HB LEU 78 8.227 4.513 -0.063 640 HG LEU 78 HG LEU 78 5.511 5.015 1.164 641 HD11 LEU 78 1HD1 LEU 78 6.217 4.354 -1.694 642 HD12 LEU 78 2HD1 LEU 78 5.501 5.856 -1.109 643 HD13 LEU 78 3HD1 LEU 78 4.588 4.350 -1.014 644 HD21 LEU 78 3HD2 LEU 78 5.160 2.635 0.645 645 HD22 LEU 78 1HD2 LEU 78 6.498 2.877 1.766 646 HD23 LEU 78 2HD2 LEU 78 6.823 2.524 0.070 647 H GLU 79 H GLU 79 9.118 7.458 1.657 648 HA GLU 79 HA GLU 79 11.778 6.960 1.003 649 HB2 GLU 79 2HB GLU 79 10.518 9.321 2.413 650 HB3 GLU 79 1HB GLU 79 12.202 9.300 1.910 651 HG2 GLU 79 2HG GLU 79 9.855 8.966 0.043 652 HG3 GLU 79 1HG GLU 79 10.695 10.487 0.337 653 H ALA 80 H ALA 80 10.319 7.407 4.208 654 HA ALA 80 HA ALA 80 12.666 7.289 5.745 655 HB1 ALA 80 3HB ALA 80 9.889 6.381 6.516 656 HB2 ALA 80 1HB ALA 80 10.504 8.031 6.627 657 HB3 ALA 80 2HB ALA 80 11.206 6.759 7.628 658 H GLU 81 H GLU 81 10.688 4.729 4.363 659 HA GLU 81 HA GLU 81 12.059 2.614 5.802 660 HB2 GLU 81 2HB GLU 81 10.122 2.392 3.485 661 HB3 GLU 81 1HB GLU 81 10.626 1.095 4.557 662 HG2 GLU 81 2HG GLU 81 9.112 3.540 5.456 663 HG3 GLU 81 1HG GLU 81 8.365 2.002 5.036 664 H GLY 82 H GLY 82 13.036 4.497 3.311 665 HA2 GLY 82 2HA GLY 82 15.048 4.259 2.144 666 HA3 GLY 82 1HA GLY 82 15.041 2.543 2.499 667 H ILE 83 H ILE 83 12.076 3.597 1.226 668 HA ILE 83 HA ILE 83 12.610 2.179 -1.270 669 HB ILE 83 HB ILE 83 10.028 3.321 -0.173 670 HG12 ILE 83 2HG1 ILE 83 11.058 0.467 -0.217 671 HG13 ILE 83 1HG1 ILE 83 10.973 1.498 1.206 672 HG21 ILE 83 1HG2 ILE 83 9.995 3.130 -2.619 673 HG22 ILE 83 2HG2 ILE 83 8.900 1.973 -1.865 674 HG23 ILE 83 3HG2 ILE 83 10.458 1.434 -2.495 675 HD11 ILE 83 3HD1 ILE 83 9.149 -0.113 1.128 676 HD12 ILE 83 1HD1 ILE 83 8.613 0.560 -0.412 677 HD13 ILE 83 2HD1 ILE 83 8.554 1.544 1.052 678 H GLU 84 H GLU 84 12.727 3.121 -3.284 679 HA GLU 84 HA GLU 84 12.944 5.983 -3.449 680 HB2 GLU 84 2HB GLU 84 13.474 5.652 -5.807 681 HB3 GLU 84 1HB GLU 84 14.388 4.530 -4.811 682 HG2 GLU 84 2HG GLU 84 13.007 2.703 -5.456 683 HG3 GLU 84 1HG GLU 84 11.848 3.772 -6.239 684 H VAL 85 H VAL 85 11.193 7.273 -3.466 685 HA VAL 85 HA VAL 85 8.829 6.463 -5.023 686 HB VAL 85 HB VAL 85 9.140 8.853 -3.189 687 HG11 VAL 85 1HG1 VAL 85 7.427 9.168 -4.904 688 HG12 VAL 85 2HG1 VAL 85 6.689 8.978 -3.313 689 HG13 VAL 85 3HG1 VAL 85 6.679 7.636 -4.458 690 HG21 VAL 85 3HG2 VAL 85 7.845 6.171 -2.663 691 HG22 VAL 85 1HG2 VAL 85 7.785 7.567 -1.585 692 HG23 VAL 85 2HG2 VAL 85 9.327 6.780 -1.922 693 H SER 86 H SER 86 9.131 6.930 -7.132 694 HA SER 86 HA SER 86 10.631 9.155 -8.089 695 HB2 SER 86 2HB SER 86 10.465 7.261 -9.530 696 HB3 SER 86 1HB SER 86 8.708 7.283 -9.463 697 HG SER 86 HG SER 86 10.465 8.966 -10.875 698 H GLU 87 H GLU 87 9.755 10.833 -9.534 699 HA GLU 87 HA GLU 87 8.590 12.751 -8.074 700 HB2 GLU 87 2HB GLU 87 8.055 13.933 -10.209 701 HB3 GLU 87 1HB GLU 87 9.684 13.280 -10.120 702 HG2 GLU 87 2HG GLU 87 8.906 11.325 -11.458 703 HG3 GLU 87 1HG GLU 87 7.351 12.133 -11.646 704 H ILE 88 H ILE 88 6.618 10.875 -10.429 705 HA ILE 88 HA ILE 88 4.230 12.238 -9.473 706 HB ILE 88 HB ILE 88 3.059 10.904 -11.275 707 HG12 ILE 88 2HG1 ILE 88 4.700 10.050 -13.085 708 HG13 ILE 88 1HG1 ILE 88 5.903 10.002 -11.804 709 HG21 ILE 88 1HG2 ILE 88 5.368 12.684 -12.064 710 HG22 ILE 88 2HG2 ILE 88 3.743 13.203 -11.607 711 HG23 ILE 88 3HG2 ILE 88 3.993 12.285 -13.094 712 HD11 ILE 88 3HD1 ILE 88 4.540 8.401 -10.579 713 HD12 ILE 88 1HD1 ILE 88 4.904 7.822 -12.204 714 HD13 ILE 88 2HD1 ILE 88 3.307 8.474 -11.836 715 H GLY 89 H GLY 89 5.718 10.137 -7.846 716 HA2 GLY 89 2HA GLY 89 5.009 8.676 -6.186 717 HA3 GLY 89 1HA GLY 89 3.378 8.771 -6.836 718 H LYS 90 H LYS 90 6.428 7.767 -8.382 719 HA LYS 90 HA LYS 90 5.109 5.218 -9.101 720 HB2 LYS 90 2HB LYS 90 5.855 6.697 -10.964 721 HB3 LYS 90 1HB LYS 90 7.505 6.538 -10.410 722 HG2 LYS 90 2HG LYS 90 5.838 4.190 -11.285 723 HG3 LYS 90 1HG LYS 90 6.838 5.129 -12.391 724 HD2 LYS 90 2HD LYS 90 8.778 4.609 -10.799 725 HD3 LYS 90 1HD LYS 90 7.709 3.407 -10.077 726 HE2 LYS 90 2HE LYS 90 9.045 2.265 -11.677 727 HE3 LYS 90 1HE LYS 90 7.433 2.420 -12.379 728 HZ1 LYS 90 3HZ LYS 90 9.806 4.092 -13.005 729 HZ2 LYS 90 1HZ LYS 90 8.255 4.368 -13.621 730 HZ3 LYS 90 2HZ LYS 90 9.083 2.948 -14.017 731 H ILE 91 H ILE 91 5.842 3.354 -8.266 732 HA ILE 91 HA ILE 91 8.429 3.359 -6.824 733 HB ILE 91 HB ILE 91 5.971 1.692 -6.221 734 HG12 ILE 91 2HG1 ILE 91 7.142 4.039 -4.695 735 HG13 ILE 91 1HG1 ILE 91 5.673 4.087 -5.664 736 HG21 ILE 91 1HG2 ILE 91 8.040 0.528 -5.649 737 HG22 ILE 91 2HG2 ILE 91 7.177 1.014 -4.190 738 HG23 ILE 91 3HG2 ILE 91 8.589 1.927 -4.724 739 HD11 ILE 91 3HD1 ILE 91 5.176 3.915 -3.299 740 HD12 ILE 91 1HD1 ILE 91 6.098 2.416 -3.197 741 HD13 ILE 91 2HD1 ILE 91 4.623 2.484 -4.163 742 H ALA 92 H ALA 92 9.866 1.696 -7.210 743 HA ALA 92 HA ALA 92 9.464 0.122 -9.587 744 HB1 ALA 92 3HB ALA 92 11.737 -0.674 -9.210 745 HB2 ALA 92 1HB ALA 92 11.745 0.064 -7.606 746 HB3 ALA 92 2HB ALA 92 11.655 1.080 -9.045 747 H LEU 93 H LEU 93 7.780 -1.343 -9.175 748 HA LEU 93 HA LEU 93 7.568 -3.006 -6.925 749 HB2 LEU 93 2HB LEU 93 6.594 -3.390 -9.754 750 HB3 LEU 93 1HB LEU 93 6.221 -4.518 -8.464 751 HG LEU 93 HG LEU 93 5.398 -1.609 -8.581 752 HD11 LEU 93 1HD1 LEU 93 3.771 -4.144 -8.785 753 HD12 LEU 93 2HD1 LEU 93 4.139 -3.038 -10.109 754 HD13 LEU 93 3HD1 LEU 93 3.129 -2.501 -8.766 755 HD21 LEU 93 3HD2 LEU 93 5.858 -2.294 -6.278 756 HD22 LEU 93 1HD2 LEU 93 4.810 -3.699 -6.477 757 HD23 LEU 93 2HD2 LEU 93 4.129 -2.072 -6.539 758 H ARG 94 H ARG 94 9.230 -3.547 -10.010 759 HA ARG 94 HA ARG 94 9.840 -6.249 -9.686 760 HB2 ARG 94 2HB ARG 94 11.582 -4.207 -11.085 761 HB3 ARG 94 1HB ARG 94 11.528 -5.939 -11.392 762 HG2 ARG 94 2HG ARG 94 9.175 -5.693 -12.139 763 HG3 ARG 94 1HG ARG 94 9.322 -3.950 -11.921 764 HD2 ARG 94 2HD ARG 94 11.279 -4.058 -13.546 765 HD3 ARG 94 1HD ARG 94 10.759 -5.706 -13.905 766 HE ARG 94 HE ARG 94 9.403 -3.239 -14.627 767 HH11 ARG 94 1HH1 ARG 94 9.344 -6.684 -14.593 768 HH12 ARG 94 2HH1 ARG 94 7.952 -6.776 -15.615 769 HH21 ARG 94 1HH2 ARG 94 7.652 -3.364 -15.954 770 HH22 ARG 94 2HH2 ARG 94 6.994 -4.911 -16.374 771 H LYS 95 H LYS 95 11.039 -3.629 -7.878 772 HA LYS 95 HA LYS 95 13.323 -5.221 -6.901 773 HB2 LYS 95 2HB LYS 95 13.904 -2.979 -7.725 774 HB3 LYS 95 1HB LYS 95 12.772 -2.259 -6.586 775 HG2 LYS 95 2HG LYS 95 14.117 -3.224 -4.725 776 HG3 LYS 95 1HG LYS 95 15.290 -3.785 -5.917 777 HD2 LYS 95 2HD LYS 95 14.505 -0.906 -5.423 778 HD3 LYS 95 1HD LYS 95 15.990 -1.678 -4.868 779 HE2 LYS 95 2HE LYS 95 15.158 -1.219 -7.734 780 HE3 LYS 95 1HE LYS 95 16.426 -0.365 -6.856 781 HZ1 LYS 95 3HZ LYS 95 17.591 -1.932 -8.057 782 HZ2 LYS 95 1HZ LYS 95 16.420 -3.138 -7.863 783 HZ3 LYS 95 2HZ LYS 95 17.419 -2.709 -6.569 784 H TYR 96 H TYR 96 10.437 -3.427 -5.840 785 HA TYR 96 HA TYR 96 11.034 -4.131 -3.039 786 HB2 TYR 96 2HB TYR 96 9.103 -2.080 -4.155 787 HB3 TYR 96 1HB TYR 96 9.393 -2.380 -2.446 788 HD1 TYR 96 HD1 TYR 96 11.738 -1.935 -1.532 789 HD2 TYR 96 HD2 TYR 96 10.453 -0.574 -5.357 790 HE1 TYR 96 HE1 TYR 96 13.547 -0.270 -1.543 791 HE2 TYR 96 HE2 TYR 96 12.257 1.088 -5.376 792 HH TYR 96 HH TYR 96 14.839 1.043 -3.178 793 H LYS 97 H LYS 97 9.435 -5.585 -5.413 794 HA LYS 97 HA LYS 97 6.781 -5.815 -4.551 795 HB2 LYS 97 2HB LYS 97 7.803 -6.486 -6.793 796 HB3 LYS 97 1HB LYS 97 8.288 -7.982 -6.005 797 HG2 LYS 97 2HG LYS 97 5.984 -8.547 -5.553 798 HG3 LYS 97 1HG LYS 97 5.458 -6.984 -6.188 799 HD2 LYS 97 2HD LYS 97 6.190 -7.562 -8.401 800 HD3 LYS 97 1HD LYS 97 6.947 -9.043 -7.813 801 HE2 LYS 97 2HE LYS 97 4.731 -9.911 -7.184 802 HE3 LYS 97 1HE LYS 97 3.984 -8.430 -7.781 803 HZ1 LYS 97 3HZ LYS 97 5.523 -10.372 -9.415 804 HZ2 LYS 97 1HZ LYS 97 4.813 -8.949 -9.988 805 HZ3 LYS 97 2HZ LYS 97 3.841 -10.201 -9.404 806 H TRP 98 H TRP 98 5.814 -6.936 -2.991 807 HA TRP 98 HA TRP 98 7.330 -8.314 -1.016 808 HB2 TRP 98 2HB TRP 98 5.394 -7.054 -0.352 809 HB3 TRP 98 1HB TRP 98 4.357 -7.976 -1.432 810 HD1 TRP 98 HD1 TRP 98 6.856 -9.552 1.077 811 HE1 TRP 98 HE1 TRP 98 5.511 -10.968 2.754 812 HE3 TRP 98 HE3 TRP 98 2.129 -8.359 -0.468 813 HZ2 TRP 98 HZ2 TRP 98 2.809 -11.517 3.332 814 HZ3 TRP 98 HZ3 TRP 98 0.216 -9.379 0.692 815 HH2 TRP 98 HH2 TRP 98 0.549 -10.925 2.563 816 H GLN 99 H GLN 99 8.088 -10.310 -1.175 817 HA GLN 99 HA GLN 99 6.380 -12.409 -2.367 818 HB2 GLN 99 2HB GLN 99 9.407 -12.239 -2.456 819 HB3 GLN 99 1HB GLN 99 8.456 -13.601 -3.031 820 HG2 GLN 99 2HG GLN 99 8.402 -10.796 -4.136 821 HG3 GLN 99 1HG GLN 99 9.178 -12.195 -4.875 822 HE21 GLN 99 1HE2 GLN 99 7.069 -10.463 -5.908 823 HE22 GLN 99 2HE2 GLN 99 5.726 -11.488 -6.257 824 HA PRO 100 HA PRO 100 7.063 -13.595 2.023 825 HB2 PRO 100 2HB PRO 100 4.642 -14.658 2.460 826 HB3 PRO 100 1HB PRO 100 4.872 -12.906 2.369 827 HG2 PRO 100 2HG PRO 100 3.899 -14.790 0.237 828 HG3 PRO 100 1HG PRO 100 3.212 -13.234 0.743 829 HD2 PRO 100 2HD PRO 100 4.836 -13.494 -1.431 830 HD3 PRO 100 1HD PRO 100 4.768 -12.017 -0.451 831 H LEU 101 H LEU 101 7.969 -15.241 -0.306 832 HA LEU 101 HA LEU 101 7.455 -17.918 0.818 833 HB2 LEU 101 2HB LEU 101 7.406 -17.192 -2.113 834 HB3 LEU 101 1HB LEU 101 7.418 -18.836 -1.505 835 HG LEU 101 HG LEU 101 5.227 -16.805 -1.019 836 HD11 LEU 101 1HD1 LEU 101 3.876 -18.240 -2.484 837 HD12 LEU 101 2HD1 LEU 101 5.295 -19.237 -2.809 838 HD13 LEU 101 3HD1 LEU 101 5.262 -17.553 -3.332 839 HD21 LEU 101 3HD2 LEU 101 3.987 -18.686 -0.049 840 HD22 LEU 101 1HD2 LEU 101 5.465 -18.356 0.854 841 HD23 LEU 101 2HD2 LEU 101 5.397 -19.725 -0.254 842 H GLU 102 H GLU 102 9.449 -18.092 1.786 843 HA GLU 102 HA GLU 102 11.816 -18.139 0.034 844 HB2 GLU 102 2HB GLU 102 11.514 -18.174 3.044 845 HB3 GLU 102 1HB GLU 102 13.049 -18.487 2.241 846 HG2 GLU 102 2HG GLU 102 11.443 -15.962 1.883 847 HG3 GLU 102 1HG GLU 102 12.755 -16.151 3.047 Start of MODEL 20 1 H1 MET 1 1H MET 1 -17.683 -3.182 13.044 2 H2 MET 1 2H MET 1 -17.930 -2.185 11.700 3 H3 MET 1 3H MET 1 -17.011 -1.630 13.006 4 HA MET 1 HA MET 1 -15.602 -2.256 11.147 5 HB2 MET 1 2HB MET 1 -14.828 -2.480 13.505 6 HB3 MET 1 1HB MET 1 -15.364 -4.154 13.498 7 HG2 MET 1 2HG MET 1 -12.962 -3.980 13.176 8 HG3 MET 1 1HG MET 1 -13.746 -4.679 11.756 9 HE1 MET 1 3HE MET 1 -11.377 -4.183 10.487 10 HE2 MET 1 1HE MET 1 -10.740 -3.387 11.924 11 HE3 MET 1 2HE MET 1 -10.680 -2.568 10.364 12 H ASP 2 H ASP 2 -16.351 -3.182 9.282 13 HA ASP 2 HA ASP 2 -17.709 -5.703 9.255 14 HB2 ASP 2 2HB ASP 2 -16.679 -4.013 6.967 15 HB3 ASP 2 1HB ASP 2 -17.791 -5.373 6.819 16 H GLN 3 H GLN 3 -17.099 -7.637 8.274 17 HA GLN 3 HA GLN 3 -14.589 -8.662 8.735 18 HB2 GLN 3 2HB GLN 3 -16.605 -9.536 6.657 19 HB3 GLN 3 1HB GLN 3 -15.205 -10.486 7.135 20 HG2 GLN 3 2HG GLN 3 -17.522 -9.688 8.890 21 HG3 GLN 3 1HG GLN 3 -17.180 -11.297 8.252 22 HE21 GLN 3 1HE2 GLN 3 -16.308 -8.905 10.598 23 HE22 GLN 3 2HE2 GLN 3 -15.272 -9.913 11.543 24 H PHE 4 H PHE 4 -15.681 -6.947 5.860 25 HA PHE 4 HA PHE 4 -13.599 -7.575 4.104 26 HB2 PHE 4 2HB PHE 4 -15.550 -6.354 3.334 27 HB3 PHE 4 1HB PHE 4 -15.175 -5.003 4.398 28 HD1 PHE 4 HD1 PHE 4 -13.833 -6.923 1.505 29 HD2 PHE 4 HD2 PHE 4 -13.883 -3.216 3.606 30 HE1 PHE 4 HE1 PHE 4 -12.524 -5.884 -0.299 31 HE2 PHE 4 HE2 PHE 4 -12.577 -2.173 1.801 32 HZ PHE 4 HZ PHE 4 -11.894 -3.510 -0.154 33 H LEU 5 H LEU 5 -13.852 -4.778 6.303 34 HA LEU 5 HA LEU 5 -11.288 -3.735 5.857 35 HB2 LEU 5 2HB LEU 5 -12.974 -3.567 8.364 36 HB3 LEU 5 1HB LEU 5 -11.626 -2.514 7.966 37 HG LEU 5 HG LEU 5 -14.198 -2.701 6.383 38 HD11 LEU 5 1HD1 LEU 5 -14.553 -1.729 8.607 39 HD12 LEU 5 2HD1 LEU 5 -14.749 -0.531 7.328 40 HD13 LEU 5 3HD1 LEU 5 -13.274 -0.554 8.296 41 HD21 LEU 5 3HD2 LEU 5 -13.383 -0.720 5.221 42 HD22 LEU 5 1HD2 LEU 5 -12.254 -2.062 5.029 43 HD23 LEU 5 2HD2 LEU 5 -11.893 -0.760 6.163 44 H VAL 6 H VAL 6 -12.453 -6.004 8.329 45 HA VAL 6 HA VAL 6 -10.118 -6.261 9.838 46 HB VAL 6 HB VAL 6 -12.165 -8.425 9.284 47 HG11 VAL 6 1HG1 VAL 6 -10.140 -9.333 10.283 48 HG12 VAL 6 2HG1 VAL 6 -11.459 -9.350 11.454 49 HG13 VAL 6 3HG1 VAL 6 -10.200 -8.119 11.561 50 HG21 VAL 6 3HG2 VAL 6 -13.268 -7.660 11.336 51 HG22 VAL 6 1HG2 VAL 6 -13.220 -6.381 10.122 52 HG23 VAL 6 2HG2 VAL 6 -12.099 -6.348 11.484 53 H GLN 7 H GLN 7 -11.187 -8.280 7.086 54 HA GLN 7 HA GLN 7 -8.951 -10.025 7.206 55 HB2 GLN 7 2HB GLN 7 -10.932 -9.528 4.978 56 HB3 GLN 7 1HB GLN 7 -9.747 -10.828 4.981 57 HG2 GLN 7 2HG GLN 7 -11.977 -10.460 6.983 58 HG3 GLN 7 1HG GLN 7 -11.941 -11.630 5.663 59 HE21 GLN 7 1HE2 GLN 7 -10.632 -10.801 8.779 60 HE22 GLN 7 2HE2 GLN 7 -9.903 -12.330 9.105 61 H ILE 8 H ILE 8 -9.621 -7.212 5.075 62 HA ILE 8 HA ILE 8 -7.317 -7.556 3.472 63 HB ILE 8 HB ILE 8 -7.591 -5.226 2.755 64 HG12 ILE 8 2HG1 ILE 8 -9.783 -5.072 4.849 65 HG13 ILE 8 1HG1 ILE 8 -8.233 -4.243 4.935 66 HG21 ILE 8 1HG2 ILE 8 -10.211 -6.724 2.940 67 HG22 ILE 8 2HG2 ILE 8 -8.956 -6.970 1.726 68 HG23 ILE 8 3HG2 ILE 8 -9.830 -5.441 1.789 69 HD11 ILE 8 3HD1 ILE 8 -10.365 -3.784 2.859 70 HD12 ILE 8 1HD1 ILE 8 -8.815 -2.949 2.953 71 HD13 ILE 8 2HD1 ILE 8 -10.006 -2.744 4.237 72 H PHE 9 H PHE 9 -7.837 -5.608 6.415 73 HA PHE 9 HA PHE 9 -5.245 -4.501 6.549 74 HB2 PHE 9 2HB PHE 9 -7.199 -5.138 8.775 75 HB3 PHE 9 1HB PHE 9 -5.741 -4.177 8.982 76 HD1 PHE 9 HD1 PHE 9 -6.462 -3.064 5.933 77 HD2 PHE 9 HD2 PHE 9 -8.291 -3.079 9.787 78 HE1 PHE 9 HE1 PHE 9 -7.722 -1.037 5.345 79 HE2 PHE 9 HE2 PHE 9 -9.551 -1.053 9.194 80 HZ PHE 9 HZ PHE 9 -9.268 -0.028 6.973 81 H ALA 10 H ALA 10 -6.595 -7.475 7.955 82 HA ALA 10 HA ALA 10 -4.424 -8.373 9.428 83 HB1 ALA 10 3HB ALA 10 -6.642 -9.424 9.477 84 HB2 ALA 10 1HB ALA 10 -5.368 -10.612 9.198 85 HB3 ALA 10 2HB ALA 10 -6.373 -10.065 7.856 86 H VAL 11 H VAL 11 -4.999 -8.668 5.943 87 HA VAL 11 HA VAL 11 -2.774 -10.376 5.416 88 HB VAL 11 HB VAL 11 -4.251 -8.513 3.537 89 HG11 VAL 11 1HG1 VAL 11 -2.370 -10.798 2.909 90 HG12 VAL 11 2HG1 VAL 11 -2.051 -9.084 2.644 91 HG13 VAL 11 3HG1 VAL 11 -3.319 -9.896 1.727 92 HG21 VAL 11 3HG2 VAL 11 -5.465 -10.515 2.832 93 HG22 VAL 11 1HG2 VAL 11 -5.699 -10.208 4.551 94 HG23 VAL 11 2HG2 VAL 11 -4.594 -11.476 4.025 95 H ILE 12 H ILE 12 -3.229 -6.862 5.296 96 HA ILE 12 HA ILE 12 -0.786 -6.135 4.137 97 HB ILE 12 HB ILE 12 -2.455 -4.588 6.130 98 HG12 ILE 12 2HG1 ILE 12 -2.441 -4.473 3.099 99 HG13 ILE 12 1HG1 ILE 12 -3.633 -5.349 4.053 100 HG21 ILE 12 1HG2 ILE 12 -0.323 -3.623 4.212 101 HG22 ILE 12 2HG2 ILE 12 -0.231 -3.622 5.974 102 HG23 ILE 12 3HG2 ILE 12 -1.391 -2.581 5.152 103 HD11 ILE 12 3HD1 ILE 12 -3.168 -2.377 4.065 104 HD12 ILE 12 1HD1 ILE 12 -4.327 -3.231 5.085 105 HD13 ILE 12 2HD1 ILE 12 -4.522 -3.236 3.333 106 H HIS 13 H HIS 13 -1.540 -6.976 7.472 107 HA HIS 13 HA HIS 13 0.767 -5.966 8.722 108 HB2 HIS 13 2HB HIS 13 -1.060 -8.261 9.411 109 HB3 HIS 13 1HB HIS 13 0.335 -7.871 10.409 110 HD2 HIS 13 HD2 HIS 13 -3.282 -6.768 9.886 111 HE1 HIS 13 HE1 HIS 13 -1.425 -3.955 12.448 112 HE2 HIS 13 HE2 HIS 13 -3.632 -4.896 11.644 113 H GLN 14 H GLN 14 0.599 -8.489 6.432 114 HA GLN 14 HA GLN 14 2.974 -9.866 7.430 115 HB2 GLN 14 2HB GLN 14 1.125 -10.366 5.104 116 HB3 GLN 14 1HB GLN 14 2.650 -11.222 5.261 117 HG2 GLN 14 2HG GLN 14 0.927 -12.615 6.123 118 HG3 GLN 14 1HG GLN 14 1.900 -12.050 7.474 119 HE21 GLN 14 1HE2 GLN 14 -1.188 -11.937 5.936 120 HE22 GLN 14 2HE2 GLN 14 -2.020 -11.128 7.212 121 H ILE 15 H ILE 15 2.503 -7.097 5.659 122 HA ILE 15 HA ILE 15 4.596 -7.505 3.691 123 HB ILE 15 HB ILE 15 3.166 -4.940 4.430 124 HG12 ILE 15 2HG1 ILE 15 2.550 -6.867 2.170 125 HG13 ILE 15 1HG1 ILE 15 1.632 -6.775 3.670 126 HG21 ILE 15 1HG2 ILE 15 3.899 -4.143 2.244 127 HG22 ILE 15 2HG2 ILE 15 4.724 -5.673 1.946 128 HG23 ILE 15 3HG2 ILE 15 5.285 -4.604 3.232 129 HD11 ILE 15 3HD1 ILE 15 1.013 -4.474 3.145 130 HD12 ILE 15 1HD1 ILE 15 0.519 -5.591 1.873 131 HD13 ILE 15 2HD1 ILE 15 1.937 -4.570 1.645 132 HA PRO 16 HA PRO 16 7.699 -6.336 6.780 133 HB2 PRO 16 2HB PRO 16 9.642 -6.775 4.616 134 HB3 PRO 16 1HB PRO 16 9.458 -7.635 6.147 135 HG2 PRO 16 2HG PRO 16 8.834 -8.775 3.785 136 HG3 PRO 16 1HG PRO 16 7.941 -9.141 5.274 137 HD2 PRO 16 2HD PRO 16 7.195 -7.293 3.021 138 HD3 PRO 16 1HD PRO 16 6.185 -8.468 3.895 139 H LYS 17 H LYS 17 9.425 -4.755 7.004 140 HA LYS 17 HA LYS 17 8.781 -2.226 5.937 141 HB2 LYS 17 2HB LYS 17 9.850 -2.550 8.139 142 HB3 LYS 17 1HB LYS 17 11.320 -3.102 7.345 143 HG2 LYS 17 2HG LYS 17 11.578 -0.901 6.295 144 HG3 LYS 17 1HG LYS 17 10.108 -0.351 7.098 145 HD2 LYS 17 2HD LYS 17 11.180 -0.747 9.287 146 HD3 LYS 17 1HD LYS 17 12.659 -1.242 8.458 147 HE2 LYS 17 2HE LYS 17 12.788 0.993 7.414 148 HE3 LYS 17 1HE LYS 17 11.345 1.478 8.301 149 HZ1 LYS 17 3HZ LYS 17 13.352 2.239 9.392 150 HZ2 LYS 17 1HZ LYS 17 13.927 0.650 9.513 151 HZ3 LYS 17 2HZ LYS 17 12.545 1.116 10.368 152 H GLY 18 H GLY 18 9.267 -1.359 4.014 153 HA2 GLY 18 2HA GLY 18 10.773 -0.666 2.316 154 HA3 GLY 18 1HA GLY 18 11.837 -1.999 2.727 155 H LYS 19 H LYS 19 8.571 -2.928 2.462 156 HA LYS 19 HA LYS 19 8.910 -3.695 -0.372 157 HB2 LYS 19 2HB LYS 19 7.754 -5.350 1.884 158 HB3 LYS 19 1HB LYS 19 7.563 -5.759 0.186 159 HG2 LYS 19 2HG LYS 19 10.182 -5.568 1.678 160 HG3 LYS 19 1HG LYS 19 9.351 -7.053 1.211 161 HD2 LYS 19 2HD LYS 19 9.529 -6.254 -1.190 162 HD3 LYS 19 1HD LYS 19 10.602 -4.986 -0.600 163 HE2 LYS 19 2HE LYS 19 11.071 -7.948 -0.227 164 HE3 LYS 19 1HE LYS 19 11.807 -6.964 -1.492 165 HZ1 LYS 19 3HZ LYS 19 13.177 -7.375 0.560 166 HZ2 LYS 19 1HZ LYS 19 12.122 -6.342 1.388 167 HZ3 LYS 19 2HZ LYS 19 13.030 -5.758 0.085 168 H VAL 20 H VAL 20 7.033 -3.719 -1.660 169 HA VAL 20 HA VAL 20 4.654 -2.431 -0.474 170 HB VAL 20 HB VAL 20 4.290 -1.221 -2.600 171 HG11 VAL 20 1HG1 VAL 20 5.403 -0.082 -0.751 172 HG12 VAL 20 2HG1 VAL 20 6.036 0.475 -2.300 173 HG13 VAL 20 3HG1 VAL 20 6.970 -0.660 -1.323 174 HG21 VAL 20 3HG2 VAL 20 7.027 -2.267 -3.355 175 HG22 VAL 20 1HG2 VAL 20 6.119 -1.044 -4.244 176 HG23 VAL 20 2HG2 VAL 20 5.498 -2.691 -4.126 177 H SER 21 H SER 21 2.646 -3.009 -1.307 178 HA SER 21 HA SER 21 2.586 -5.260 -3.229 179 HB2 SER 21 2HB SER 21 0.755 -6.279 -1.960 180 HB3 SER 21 1HB SER 21 2.166 -6.081 -0.919 181 HG SER 21 HG SER 21 1.194 -4.276 -0.004 182 H THR 22 H THR 22 0.368 -5.533 -4.233 183 HA THR 22 HA THR 22 -0.801 -2.878 -4.784 184 HB THR 22 HB THR 22 -1.694 -3.798 -6.840 185 HG1 THR 22 HG1 THR 22 -0.438 -6.287 -6.293 186 HG21 THR 22 3HG2 THR 22 0.382 -4.391 -8.017 187 HG22 THR 22 1HG2 THR 22 1.189 -4.641 -6.469 188 HG23 THR 22 2HG2 THR 22 0.631 -3.030 -6.924 189 H TYR 23 H TYR 23 -3.033 -2.521 -4.691 190 HA TYR 23 HA TYR 23 -4.514 -3.713 -2.686 191 HB2 TYR 23 2HB TYR 23 -5.601 -2.373 -5.177 192 HB3 TYR 23 1HB TYR 23 -6.516 -2.674 -3.704 193 HD1 TYR 23 HD2 TYR 23 -4.945 -1.812 -1.530 194 HD2 TYR 23 HD1 TYR 23 -5.115 -0.139 -5.439 195 HE1 TYR 23 HE2 TYR 23 -4.195 0.348 -0.633 196 HE2 TYR 23 HE1 TYR 23 -4.373 2.024 -4.549 197 HH TYR 23 HH TYR 23 -3.110 2.381 -1.395 198 H GLY 24 H GLY 24 -4.364 -4.628 -6.097 199 HA2 GLY 24 2HA GLY 24 -6.468 -6.460 -6.206 200 HA3 GLY 24 1HA GLY 24 -5.011 -6.544 -7.185 201 H GLU 25 H GLU 25 -3.085 -7.004 -5.240 202 HA GLU 25 HA GLU 25 -3.329 -9.777 -4.746 203 HB2 GLU 25 2HB GLU 25 -1.415 -7.745 -3.565 204 HB3 GLU 25 1HB GLU 25 -1.240 -9.488 -3.418 205 HG2 GLU 25 2HG GLU 25 -0.948 -9.707 -5.808 206 HG3 GLU 25 1HG GLU 25 -1.260 -7.988 -6.036 207 H ILE 26 H ILE 26 -3.355 -7.016 -2.480 208 HA ILE 26 HA ILE 26 -3.789 -8.403 -0.110 209 HB ILE 26 HB ILE 26 -4.789 -5.637 -0.837 210 HG12 ILE 26 2HG1 ILE 26 -2.364 -5.872 -1.115 211 HG13 ILE 26 1HG1 ILE 26 -2.730 -4.843 0.264 212 HG21 ILE 26 1HG2 ILE 26 -4.782 -5.212 1.598 213 HG22 ILE 26 2HG2 ILE 26 -4.422 -6.917 1.876 214 HG23 ILE 26 3HG2 ILE 26 -5.949 -6.448 1.129 215 HD11 ILE 26 3HD1 ILE 26 -2.293 -6.738 1.766 216 HD12 ILE 26 1HD1 ILE 26 -0.896 -6.324 0.770 217 HD13 ILE 26 2HD1 ILE 26 -1.880 -7.730 0.367 218 H ALA 27 H ALA 27 -6.262 -6.939 -2.237 219 HA ALA 27 HA ALA 27 -8.524 -7.686 -0.781 220 HB1 ALA 27 3HB ALA 27 -9.794 -7.315 -2.820 221 HB2 ALA 27 1HB ALA 27 -8.318 -7.400 -3.783 222 HB3 ALA 27 2HB ALA 27 -8.554 -6.072 -2.645 223 H LYS 28 H LYS 28 -6.884 -9.441 -3.414 224 HA LYS 28 HA LYS 28 -8.622 -11.644 -3.530 225 HB2 LYS 28 2HB LYS 28 -6.999 -11.189 -5.287 226 HB3 LYS 28 1HB LYS 28 -5.668 -11.476 -4.171 227 HG2 LYS 28 2HG LYS 28 -6.382 -13.819 -3.946 228 HG3 LYS 28 1HG LYS 28 -7.682 -13.523 -5.104 229 HD2 LYS 28 2HD LYS 28 -6.049 -12.998 -6.835 230 HD3 LYS 28 1HD LYS 28 -4.730 -13.200 -5.677 231 HE2 LYS 28 2HE LYS 28 -5.362 -15.558 -5.387 232 HE3 LYS 28 1HE LYS 28 -6.664 -15.348 -6.558 233 HZ1 LYS 28 3HZ LYS 28 -5.027 -14.847 -8.246 234 HZ2 LYS 28 1HZ LYS 28 -4.704 -16.353 -7.549 235 HZ3 LYS 28 2HZ LYS 28 -3.772 -15.007 -7.126 236 H MET 29 H MET 29 -5.589 -11.226 -1.690 237 HA MET 29 HA MET 29 -5.566 -13.786 -0.496 238 HB2 MET 29 2HB MET 29 -4.375 -11.208 0.559 239 HB3 MET 29 1HB MET 29 -3.947 -12.831 1.091 240 HG2 MET 29 2HG MET 29 -3.093 -13.343 -1.136 241 HG3 MET 29 1HG MET 29 -3.538 -11.726 -1.684 242 HE1 MET 29 3HE MET 29 0.335 -11.408 -1.609 243 HE2 MET 29 1HE MET 29 -1.136 -11.166 -2.550 244 HE3 MET 29 2HE MET 29 -0.616 -12.799 -2.130 245 H ALA 30 H ALA 30 -7.198 -10.814 0.372 246 HA ALA 30 HA ALA 30 -7.983 -11.643 3.005 247 HB1 ALA 30 3HB ALA 30 -9.427 -9.658 2.961 248 HB2 ALA 30 1HB ALA 30 -9.068 -9.442 1.245 249 HB3 ALA 30 2HB ALA 30 -7.783 -9.286 2.442 250 H GLY 31 H GLY 31 -9.162 -12.305 -0.158 251 HA2 GLY 31 2HA GLY 31 -10.792 -13.982 -0.591 252 HA3 GLY 31 1HA GLY 31 -11.505 -13.675 0.982 253 H TYR 32 H TYR 32 -10.713 -10.978 -1.050 254 HA TYR 32 HA TYR 32 -13.515 -10.727 -1.941 255 HB2 TYR 32 2HB TYR 32 -11.862 -8.449 -0.812 256 HB3 TYR 32 1HB TYR 32 -13.537 -8.370 -1.346 257 HD1 TYR 32 HD2 TYR 32 -11.274 -9.530 1.309 258 HD2 TYR 32 HD1 TYR 32 -15.338 -9.215 0.062 259 HE1 TYR 32 HE2 TYR 32 -12.010 -10.064 3.589 260 HE2 TYR 32 HE1 TYR 32 -16.080 -9.751 2.347 261 HH TYR 32 HH TYR 32 -13.874 -9.849 5.014 262 HA PRO 33 HA PRO 33 -10.231 -10.089 -5.308 263 HB2 PRO 33 2HB PRO 33 -11.446 -11.745 -7.140 264 HB3 PRO 33 1HB PRO 33 -10.211 -12.273 -5.992 265 HG2 PRO 33 2HG PRO 33 -13.195 -12.512 -5.803 266 HG3 PRO 33 1HG PRO 33 -11.950 -13.715 -5.415 267 HD2 PRO 33 2HD PRO 33 -13.166 -12.293 -3.491 268 HD3 PRO 33 1HD PRO 33 -11.446 -12.721 -3.375 269 H GLY 34 H GLY 34 -10.543 -8.193 -6.318 270 HA2 GLY 34 2HA GLY 34 -11.538 -6.962 -8.123 271 HA3 GLY 34 1HA GLY 34 -13.062 -7.771 -7.800 272 H TYR 35 H TYR 35 -12.107 -7.031 -4.800 273 HA TYR 35 HA TYR 35 -13.530 -4.454 -4.808 274 HB2 TYR 35 2HB TYR 35 -12.864 -6.387 -2.576 275 HB3 TYR 35 1HB TYR 35 -13.603 -4.813 -2.303 276 HD1 TYR 35 HD2 TYR 35 -15.904 -4.368 -3.062 277 HD2 TYR 35 HD1 TYR 35 -14.153 -8.227 -3.484 278 HE1 TYR 35 HE2 TYR 35 -18.135 -5.329 -3.433 279 HE2 TYR 35 HE1 TYR 35 -16.381 -9.200 -3.857 280 HH TYR 35 HH TYR 35 -18.774 -8.603 -3.269 281 H ALA 36 H ALA 36 -10.650 -4.911 -5.559 282 HA ALA 36 HA ALA 36 -8.836 -4.079 -3.637 283 HB1 ALA 36 3HB ALA 36 -7.362 -3.522 -5.485 284 HB2 ALA 36 1HB ALA 36 -8.728 -3.512 -6.600 285 HB3 ALA 36 2HB ALA 36 -8.231 -5.017 -5.826 286 H ARG 37 H ARG 37 -10.843 -2.083 -5.780 287 HA ARG 37 HA ARG 37 -9.654 0.402 -5.302 288 HB2 ARG 37 2HB ARG 37 -11.623 1.383 -6.226 289 HB3 ARG 37 1HB ARG 37 -11.375 -0.143 -7.061 290 HG2 ARG 37 2HG ARG 37 -13.074 -1.157 -5.493 291 HG3 ARG 37 1HG ARG 37 -13.414 0.480 -4.930 292 HD2 ARG 37 2HD ARG 37 -15.044 0.045 -6.576 293 HD3 ARG 37 1HD ARG 37 -13.848 1.066 -7.374 294 HE ARG 37 HE ARG 37 -14.180 -1.831 -7.774 295 HH11 ARG 37 1HH1 ARG 37 -12.952 1.212 -8.856 296 HH12 ARG 37 2HH1 ARG 37 -12.445 0.573 -10.381 297 HH21 ARG 37 1HH2 ARG 37 -13.553 -2.611 -9.727 298 HH22 ARG 37 2HH2 ARG 37 -12.785 -1.562 -10.873 299 H HIS 38 H HIS 38 -12.021 -1.372 -3.381 300 HA HIS 38 HA HIS 38 -12.587 0.847 -1.635 301 HB2 HIS 38 2HB HIS 38 -13.266 -2.090 -1.397 302 HB3 HIS 38 1HB HIS 38 -13.842 -0.842 -0.296 303 HD2 HIS 38 HD2 HIS 38 -14.968 -2.582 -3.406 304 HE1 HIS 38 HE1 HIS 38 -16.954 1.152 -3.373 305 HE2 HIS 38 HE2 HIS 38 -16.988 -1.207 -4.280 306 H VAL 39 H VAL 39 -10.353 -1.863 -1.621 307 HA VAL 39 HA VAL 39 -9.432 -1.695 1.027 308 HB VAL 39 HB VAL 39 -7.781 -2.300 -1.445 309 HG11 VAL 39 1HG1 VAL 39 -7.294 -3.010 1.453 310 HG12 VAL 39 2HG1 VAL 39 -6.388 -1.833 0.501 311 HG13 VAL 39 3HG1 VAL 39 -6.316 -3.545 0.085 312 HG21 VAL 39 3HG2 VAL 39 -8.254 -4.668 -0.956 313 HG22 VAL 39 1HG2 VAL 39 -9.722 -3.764 -1.328 314 HG23 VAL 39 2HG2 VAL 39 -9.339 -4.174 0.344 315 H GLY 40 H GLY 40 -8.457 0.086 -1.891 316 HA2 GLY 40 2HA GLY 40 -6.508 1.754 -0.719 317 HA3 GLY 40 1HA GLY 40 -7.431 2.126 -2.167 318 H LYS 41 H LYS 41 -10.021 2.249 -1.114 319 HA LYS 41 HA LYS 41 -10.156 4.828 0.003 320 HB2 LYS 41 2HB LYS 41 -12.232 2.623 0.107 321 HB3 LYS 41 1HB LYS 41 -12.540 4.325 0.425 322 HG2 LYS 41 2HG LYS 41 -11.920 4.868 -1.881 323 HG3 LYS 41 1HG LYS 41 -11.612 3.160 -2.200 324 HD2 LYS 41 2HD LYS 41 -13.977 2.663 -1.667 325 HD3 LYS 41 1HD LYS 41 -14.268 4.388 -1.430 326 HE2 LYS 41 2HE LYS 41 -13.377 3.061 -3.993 327 HE3 LYS 41 1HE LYS 41 -14.991 3.679 -3.651 328 HZ1 LYS 41 3HZ LYS 41 -13.678 5.217 -4.992 329 HZ2 LYS 41 1HZ LYS 41 -12.523 5.323 -3.765 330 HZ3 LYS 41 2HZ LYS 41 -14.087 5.902 -3.501 331 H ALA 42 H ALA 42 -10.322 1.637 1.545 332 HA ALA 42 HA ALA 42 -10.867 2.462 4.173 333 HB1 ALA 42 3HB ALA 42 -9.296 0.051 3.248 334 HB2 ALA 42 1HB ALA 42 -11.047 0.137 3.444 335 HB3 ALA 42 2HB ALA 42 -9.996 0.274 4.852 336 H LEU 43 H LEU 43 -7.700 1.670 2.697 337 HA LEU 43 HA LEU 43 -6.130 2.432 4.905 338 HB2 LEU 43 2HB LEU 43 -5.383 2.405 1.977 339 HB3 LEU 43 1HB LEU 43 -4.246 2.489 3.311 340 HG LEU 43 HG LEU 43 -6.072 0.169 2.658 341 HD11 LEU 43 1HD1 LEU 43 -3.992 -1.035 2.217 342 HD12 LEU 43 2HD1 LEU 43 -3.069 0.434 2.535 343 HD13 LEU 43 3HD1 LEU 43 -4.166 0.362 1.156 344 HD21 LEU 43 3HD2 LEU 43 -4.987 -1.000 4.502 345 HD22 LEU 43 1HD2 LEU 43 -5.826 0.439 5.080 346 HD23 LEU 43 2HD2 LEU 43 -4.071 0.453 4.904 347 H GLY 44 H GLY 44 -7.288 4.290 2.132 348 HA2 GLY 44 2HA GLY 44 -5.806 6.657 2.659 349 HA3 GLY 44 1HA GLY 44 -7.245 6.539 1.661 350 H ASN 45 H ASN 45 -8.607 5.346 4.190 351 HA ASN 45 HA ASN 45 -9.337 7.962 5.323 352 HB2 ASN 45 2HB ASN 45 -11.090 6.444 4.302 353 HB3 ASN 45 1HB ASN 45 -10.813 5.340 5.645 354 HD21 ASN 45 1HD2 ASN 45 -12.920 5.574 6.392 355 HD22 ASN 45 2HD2 ASN 45 -13.469 7.017 7.163 356 H LEU 46 H LEU 46 -7.223 5.589 6.055 357 HA LEU 46 HA LEU 46 -7.703 5.308 8.885 358 HB2 LEU 46 2HB LEU 46 -5.370 4.597 7.104 359 HB3 LEU 46 1HB LEU 46 -5.324 4.359 8.841 360 HG LEU 46 HG LEU 46 -7.302 3.050 6.962 361 HD11 LEU 46 1HD1 LEU 46 -4.880 1.911 8.362 362 HD12 LEU 46 2HD1 LEU 46 -5.048 2.189 6.628 363 HD13 LEU 46 3HD1 LEU 46 -6.061 0.989 7.429 364 HD21 LEU 46 3HD2 LEU 46 -6.809 2.645 9.917 365 HD22 LEU 46 1HD2 LEU 46 -7.897 1.685 8.913 366 HD23 LEU 46 2HD2 LEU 46 -8.233 3.394 9.190 367 HA PRO 47 HA PRO 47 -5.543 8.905 10.439 368 HB2 PRO 47 2HB PRO 47 -4.157 7.779 12.550 369 HB3 PRO 47 1HB PRO 47 -5.852 8.270 12.611 370 HG2 PRO 47 2HG PRO 47 -4.681 5.551 12.177 371 HG3 PRO 47 1HG PRO 47 -6.088 6.026 13.148 372 HD2 PRO 47 2HD PRO 47 -6.362 4.910 10.711 373 HD3 PRO 47 1HD PRO 47 -7.478 6.164 11.291 374 H GLU 48 H GLU 48 -3.622 9.910 10.100 375 HA GLU 48 HA GLU 48 -1.905 9.100 8.166 376 HB2 GLU 48 2HB GLU 48 -2.134 11.396 9.123 377 HB3 GLU 48 1HB GLU 48 -1.130 10.894 10.473 378 HG2 GLU 48 2HG GLU 48 0.757 10.554 9.018 379 HG3 GLU 48 1HG GLU 48 -0.239 10.865 7.597 380 H GLY 49 H GLY 49 -1.447 8.528 11.642 381 HA2 GLY 49 2HA GLY 49 0.787 6.703 10.950 382 HA3 GLY 49 1HA GLY 49 0.775 7.686 12.405 383 H SER 50 H SER 50 -1.596 5.487 10.857 384 HA SER 50 HA SER 50 -2.616 4.443 13.268 385 HB2 SER 50 2HB SER 50 -3.886 4.253 11.207 386 HB3 SER 50 1HB SER 50 -2.625 3.263 10.476 387 HG SER 50 HG SER 50 -4.637 2.560 12.220 388 H LYS 51 H LYS 51 -2.557 2.106 13.902 389 HA LYS 51 HA LYS 51 0.063 1.130 14.374 390 HB2 LYS 51 2HB LYS 51 -1.884 0.612 15.813 391 HB3 LYS 51 1HB LYS 51 -2.584 -0.342 14.514 392 HG2 LYS 51 2HG LYS 51 -0.704 -1.906 14.639 393 HG3 LYS 51 1HG LYS 51 0.019 -0.937 15.925 394 HD2 LYS 51 2HD LYS 51 -1.992 -1.348 17.317 395 HD3 LYS 51 1HD LYS 51 -2.638 -2.383 16.041 396 HE2 LYS 51 2HE LYS 51 -0.069 -2.839 17.569 397 HE3 LYS 51 1HE LYS 51 -1.583 -3.704 17.815 398 HZ1 LYS 51 3HZ LYS 51 -1.415 -4.572 15.574 399 HZ2 LYS 51 1HZ LYS 51 -0.034 -4.971 16.465 400 HZ3 LYS 51 2HZ LYS 51 0.025 -3.728 15.320 401 H LEU 52 H LEU 52 -2.324 0.531 11.894 402 HA LEU 52 HA LEU 52 -0.833 -1.619 10.632 403 HB2 LEU 52 2HB LEU 52 -3.279 -1.622 10.565 404 HB3 LEU 52 1HB LEU 52 -3.279 -0.063 9.763 405 HG LEU 52 HG LEU 52 -2.019 -1.201 7.852 406 HD11 LEU 52 1HD1 LEU 52 -2.284 -3.612 7.647 407 HD12 LEU 52 2HD1 LEU 52 -2.995 -3.681 9.260 408 HD13 LEU 52 3HD1 LEU 52 -1.312 -3.194 9.056 409 HD21 LEU 52 3HD2 LEU 52 -4.066 -2.062 6.856 410 HD22 LEU 52 1HD2 LEU 52 -4.365 -0.551 7.714 411 HD23 LEU 52 2HD2 LEU 52 -4.840 -2.085 8.442 412 HA PRO 53 HA PRO 53 1.478 1.349 8.110 413 HB2 PRO 53 2HB PRO 53 2.890 -0.447 6.645 414 HB3 PRO 53 1HB PRO 53 3.302 -0.062 8.321 415 HG2 PRO 53 2HG PRO 53 1.779 -2.405 7.234 416 HG3 PRO 53 1HG PRO 53 3.026 -2.370 8.494 417 HD2 PRO 53 2HD PRO 53 0.354 -2.487 9.038 418 HD3 PRO 53 1HD PRO 53 1.532 -1.730 10.129 419 H TRP 54 H TRP 54 -0.254 2.183 6.926 420 HA TRP 54 HA TRP 54 -1.597 0.655 4.890 421 HB2 TRP 54 2HB TRP 54 -2.803 2.805 4.450 422 HB3 TRP 54 1HB TRP 54 -2.884 2.274 6.124 423 HD1 TRP 54 HD1 TRP 54 -1.589 3.758 7.955 424 HE1 TRP 54 HE1 TRP 54 -0.732 6.186 7.908 425 HE3 TRP 54 HE3 TRP 54 -1.787 4.595 2.909 426 HZ2 TRP 54 HZ2 TRP 54 -0.215 8.185 5.994 427 HZ3 TRP 54 HZ3 TRP 54 -1.095 6.795 2.055 428 HH2 TRP 54 HH2 TRP 54 -0.325 8.555 3.568 429 H PHE 55 H PHE 55 0.994 2.967 4.969 430 HA PHE 55 HA PHE 55 0.930 3.846 2.303 431 HB2 PHE 55 2HB PHE 55 3.334 4.515 2.765 432 HB3 PHE 55 1HB PHE 55 2.123 5.154 3.868 433 HD1 PHE 55 HD2 PHE 55 1.985 4.357 6.175 434 HD2 PHE 55 HD1 PHE 55 4.989 2.917 3.520 435 HE1 PHE 55 HE2 PHE 55 3.245 3.460 8.089 436 HE2 PHE 55 HE1 PHE 55 6.247 2.022 5.428 437 HZ PHE 55 HZ PHE 55 5.379 2.292 7.716 438 H ARG 56 H ARG 56 2.005 0.817 3.558 439 HA ARG 56 HA ARG 56 3.961 0.290 1.507 440 HB2 ARG 56 2HB ARG 56 2.667 -1.532 3.543 441 HB3 ARG 56 1HB ARG 56 3.939 -2.037 2.439 442 HG2 ARG 56 2HG ARG 56 5.444 -0.349 3.438 443 HG3 ARG 56 1HG ARG 56 4.167 0.084 4.576 444 HD2 ARG 56 2HD ARG 56 4.177 -2.234 5.431 445 HD3 ARG 56 1HD ARG 56 5.497 -2.620 4.326 446 HE ARG 56 HE ARG 56 6.450 -0.505 5.742 447 HH11 ARG 56 1HH1 ARG 56 5.220 -3.620 6.599 448 HH12 ARG 56 2HH1 ARG 56 6.092 -3.664 8.087 449 HH21 ARG 56 1HH2 ARG 56 7.543 -0.590 7.649 450 HH22 ARG 56 2HH2 ARG 56 7.378 -1.967 8.686 451 H VAL 57 H VAL 57 0.706 0.511 1.206 452 HA VAL 57 HA VAL 57 0.635 -1.581 -0.887 453 HB VAL 57 HB VAL 57 -1.796 -0.582 0.615 454 HG11 VAL 57 1HG1 VAL 57 -2.256 -1.499 -1.600 455 HG12 VAL 57 2HG1 VAL 57 -2.866 -2.577 -0.345 456 HG13 VAL 57 3HG1 VAL 57 -1.370 -2.971 -1.193 457 HG21 VAL 57 3HG2 VAL 57 -0.296 -1.724 2.184 458 HG22 VAL 57 1HG2 VAL 57 -0.225 -3.120 1.109 459 HG23 VAL 57 2HG2 VAL 57 -1.749 -2.677 1.880 460 H ILE 58 H ILE 58 0.328 -0.868 -2.899 461 HA ILE 58 HA ILE 58 -0.882 1.797 -3.331 462 HB ILE 58 HB ILE 58 0.645 2.117 -5.252 463 HG12 ILE 58 2HG1 ILE 58 2.053 -0.350 -4.180 464 HG13 ILE 58 1HG1 ILE 58 1.147 -0.267 -5.688 465 HG21 ILE 58 1HG2 ILE 58 2.656 2.645 -3.935 466 HG22 ILE 58 2HG2 ILE 58 2.020 1.686 -2.598 467 HG23 ILE 58 3HG2 ILE 58 1.175 3.144 -3.118 468 HD11 ILE 58 3HD1 ILE 58 2.753 1.384 -6.538 469 HD12 ILE 58 1HD1 ILE 58 3.516 -0.148 -6.114 470 HD13 ILE 58 2HD1 ILE 58 3.671 1.239 -5.039 471 H ASN 59 H ASN 59 -1.030 1.887 -6.040 472 HA ASN 59 HA ASN 59 -3.237 0.147 -6.572 473 HB2 ASN 59 2HB ASN 59 -3.327 1.290 -8.771 474 HB3 ASN 59 1HB ASN 59 -3.263 2.416 -7.421 475 HD21 ASN 59 1HD2 ASN 59 -2.488 4.067 -8.724 476 HD22 ASN 59 2HD2 ASN 59 -0.868 4.087 -9.317 477 H SER 60 H SER 60 -3.373 -0.955 -8.827 478 HA SER 60 HA SER 60 -1.343 -3.010 -8.879 479 HB2 SER 60 2HB SER 60 -2.796 -3.994 -10.681 480 HB3 SER 60 1HB SER 60 -3.639 -3.684 -9.163 481 HG SER 60 HG SER 60 -4.319 -2.829 -11.532 482 H GLN 61 H GLN 61 -1.138 -0.050 -10.045 483 HA GLN 61 HA GLN 61 -0.053 -0.685 -12.692 484 HB2 GLN 61 2HB GLN 61 -0.411 1.980 -11.288 485 HB3 GLN 61 1HB GLN 61 0.131 1.766 -12.948 486 HG2 GLN 61 2HG GLN 61 -2.007 0.848 -13.578 487 HG3 GLN 61 1HG GLN 61 -2.560 0.899 -11.903 488 HE21 GLN 61 1HE2 GLN 61 -3.087 2.894 -10.982 489 HE22 GLN 61 2HE2 GLN 61 -3.349 4.306 -11.941 490 H GLY 62 H GLY 62 0.948 0.716 -9.591 491 HA2 GLY 62 2HA GLY 62 3.230 0.136 -8.801 492 HA3 GLY 62 1HA GLY 62 3.781 0.477 -10.435 493 H LYS 63 H LYS 63 1.395 2.384 -8.696 494 HA LYS 63 HA LYS 63 3.343 4.550 -8.304 495 HB2 LYS 63 2HB LYS 63 0.693 4.844 -9.742 496 HB3 LYS 63 1HB LYS 63 1.714 6.185 -9.244 497 HG2 LYS 63 2HG LYS 63 3.483 5.408 -10.738 498 HG3 LYS 63 1HG LYS 63 2.476 4.041 -11.225 499 HD2 LYS 63 2HD LYS 63 0.794 5.593 -12.111 500 HD3 LYS 63 1HD LYS 63 1.796 6.963 -11.622 501 HE2 LYS 63 2HE LYS 63 3.550 6.245 -13.155 502 HE3 LYS 63 1HE LYS 63 2.600 4.829 -13.605 503 HZ1 LYS 63 3HZ LYS 63 1.841 7.661 -14.083 504 HZ2 LYS 63 1HZ LYS 63 0.897 6.315 -14.481 505 HZ3 LYS 63 2HZ LYS 63 2.381 6.561 -15.247 506 H ILE 64 H ILE 64 2.520 6.276 -6.912 507 HA ILE 64 HA ILE 64 1.130 5.345 -4.624 508 HB ILE 64 HB ILE 64 1.851 8.160 -5.485 509 HG12 ILE 64 2HG1 ILE 64 3.173 6.239 -3.541 510 HG13 ILE 64 1HG1 ILE 64 3.788 6.692 -5.127 511 HG21 ILE 64 1HG2 ILE 64 0.923 7.209 -2.772 512 HG22 ILE 64 2HG2 ILE 64 -0.020 8.189 -3.895 513 HG23 ILE 64 3HG2 ILE 64 1.453 8.841 -3.180 514 HD11 ILE 64 3HD1 ILE 64 4.975 7.866 -3.392 515 HD12 ILE 64 1HD1 ILE 64 3.463 8.508 -2.751 516 HD13 ILE 64 2HD1 ILE 64 4.027 9.007 -4.347 517 H SER 65 H SER 65 -0.999 5.141 -4.341 518 HA SER 65 HA SER 65 -2.919 5.826 -6.287 519 HB2 SER 65 2HB SER 65 -3.484 5.268 -3.365 520 HB3 SER 65 1HB SER 65 -4.564 5.009 -4.735 521 HG SER 65 HG SER 65 -3.215 3.176 -3.763 522 H LEU 66 H LEU 66 -2.000 7.379 -3.256 523 HA LEU 66 HA LEU 66 -4.066 9.358 -3.328 524 HB2 LEU 66 2HB LEU 66 -1.502 9.284 -1.729 525 HB3 LEU 66 1HB LEU 66 -2.861 10.353 -1.437 526 HG LEU 66 HG LEU 66 -2.916 7.338 -1.175 527 HD11 LEU 66 1HD1 LEU 66 -1.597 8.419 0.582 528 HD12 LEU 66 2HD1 LEU 66 -3.097 7.748 1.222 529 HD13 LEU 66 3HD1 LEU 66 -2.953 9.487 0.949 530 HD21 LEU 66 3HD2 LEU 66 -5.142 7.680 -0.193 531 HD22 LEU 66 1HD2 LEU 66 -5.082 8.215 -1.873 532 HD23 LEU 66 2HD2 LEU 66 -5.042 9.401 -0.566 533 H LYS 67 H LYS 67 -3.619 11.716 -3.369 534 HA LYS 67 HA LYS 67 -1.420 12.439 -5.202 535 HB2 LYS 67 2HB LYS 67 -2.939 13.939 -6.415 536 HB3 LYS 67 1HB LYS 67 -3.480 12.268 -6.513 537 HG2 LYS 67 2HG LYS 67 -5.156 12.693 -4.795 538 HG3 LYS 67 1HG LYS 67 -4.595 14.361 -4.649 539 HD2 LYS 67 2HD LYS 67 -5.253 14.813 -6.949 540 HD3 LYS 67 1HD LYS 67 -5.741 13.128 -7.163 541 HE2 LYS 67 2HE LYS 67 -6.971 15.110 -5.241 542 HE3 LYS 67 1HE LYS 67 -7.677 14.565 -6.762 543 HZ1 LYS 67 3HZ LYS 67 -7.166 12.928 -4.339 544 HZ2 LYS 67 1HZ LYS 67 -7.637 12.280 -5.830 545 HZ3 LYS 67 2HZ LYS 67 -8.663 13.336 -5.008 546 H GLY 68 H GLY 68 -1.362 14.988 -5.373 547 HA2 GLY 68 2HA GLY 68 -0.881 16.972 -4.321 548 HA3 GLY 68 1HA GLY 68 -2.275 16.635 -3.309 549 H ARG 69 H ARG 69 -1.730 16.874 -1.230 550 HA ARG 69 HA ARG 69 0.962 16.554 -0.277 551 HB2 ARG 69 2HB ARG 69 -1.552 16.812 1.389 552 HB3 ARG 69 1HB ARG 69 0.097 17.161 1.890 553 HG2 ARG 69 2HG ARG 69 0.111 18.970 0.104 554 HG3 ARG 69 1HG ARG 69 -1.632 18.719 -0.018 555 HD2 ARG 69 2HD ARG 69 -1.248 20.546 1.487 556 HD3 ARG 69 1HD ARG 69 -1.794 19.165 2.440 557 HE ARG 69 HE ARG 69 1.066 19.824 2.191 558 HH11 ARG 69 1HH1 ARG 69 -1.698 19.192 4.150 559 HH12 ARG 69 2HH1 ARG 69 -0.783 19.193 5.613 560 HH21 ARG 69 1HH2 ARG 69 2.218 19.807 4.072 561 HH22 ARG 69 2HH2 ARG 69 1.399 19.532 5.572 562 H ASP 70 H ASP 70 -1.952 14.615 -0.286 563 HA ASP 70 HA ASP 70 -1.226 12.606 1.532 564 HB2 ASP 70 2HB ASP 70 -2.887 12.345 -0.996 565 HB3 ASP 70 1HB ASP 70 -2.891 11.226 0.362 566 H LEU 71 H LEU 71 -0.359 13.125 -1.836 567 HA LEU 71 HA LEU 71 0.859 10.635 -2.375 568 HB2 LEU 71 2HB LEU 71 0.240 12.399 -4.056 569 HB3 LEU 71 1HB LEU 71 1.620 13.334 -3.520 570 HG LEU 71 HG LEU 71 1.961 10.542 -4.622 571 HD11 LEU 71 1HD1 LEU 71 2.376 11.534 -6.823 572 HD12 LEU 71 2HD1 LEU 71 1.902 13.117 -6.206 573 HD13 LEU 71 3HD1 LEU 71 0.716 11.814 -6.296 574 HD21 LEU 71 3HD2 LEU 71 4.204 11.374 -5.198 575 HD22 LEU 71 1HD2 LEU 71 3.892 11.492 -3.468 576 HD23 LEU 71 2HD2 LEU 71 3.809 12.935 -4.478 577 H ASP 72 H ASP 72 2.408 13.749 -1.488 578 HA ASP 72 HA ASP 72 4.969 12.791 -0.983 579 HB2 ASP 72 2HB ASP 72 3.471 15.067 0.339 580 HB3 ASP 72 1HB ASP 72 5.197 14.781 0.540 581 H ARG 73 H ARG 73 2.143 12.812 1.122 582 HA ARG 73 HA ARG 73 3.345 12.113 3.550 583 HB2 ARG 73 2HB ARG 73 1.024 12.894 3.284 584 HB3 ARG 73 1HB ARG 73 0.599 11.372 2.516 585 HG2 ARG 73 2HG ARG 73 0.961 10.165 4.558 586 HG3 ARG 73 1HG ARG 73 1.629 11.600 5.342 587 HD2 ARG 73 2HD ARG 73 -1.206 11.280 4.343 588 HD3 ARG 73 1HD ARG 73 -0.688 11.215 6.030 589 HE ARG 73 HE ARG 73 0.159 13.603 5.501 590 HH11 ARG 73 1HH1 ARG 73 -2.741 12.190 4.282 591 HH12 ARG 73 2HH1 ARG 73 -3.539 13.714 4.129 592 HH21 ARG 73 1HH2 ARG 73 -0.862 15.541 5.276 593 HH22 ARG 73 2HH2 ARG 73 -2.481 15.596 4.667 594 H GLN 74 H GLN 74 1.679 9.883 1.271 595 HA GLN 74 HA GLN 74 2.567 7.509 2.506 596 HB2 GLN 74 2HB GLN 74 0.686 7.459 0.993 597 HB3 GLN 74 1HB GLN 74 1.675 8.043 -0.340 598 HG2 GLN 74 2HG GLN 74 2.864 5.980 -0.470 599 HG3 GLN 74 1HG GLN 74 2.158 5.408 1.040 600 HE21 GLN 74 1HE2 GLN 74 1.413 3.546 -0.007 601 HE22 GLN 74 2HE2 GLN 74 0.030 3.579 -1.036 602 H LYS 75 H LYS 75 3.961 9.424 -0.132 603 HA LYS 75 HA LYS 75 6.047 7.770 -0.923 604 HB2 LYS 75 2HB LYS 75 5.464 9.841 -2.100 605 HB3 LYS 75 1HB LYS 75 6.022 10.794 -0.730 606 HG2 LYS 75 2HG LYS 75 8.304 9.806 -1.092 607 HG3 LYS 75 1HG LYS 75 7.685 9.101 -2.588 608 HD2 LYS 75 2HD LYS 75 7.174 11.325 -3.450 609 HD3 LYS 75 1HD LYS 75 7.697 12.054 -1.932 610 HE2 LYS 75 2HE LYS 75 9.967 11.044 -2.344 611 HE3 LYS 75 1HE LYS 75 9.395 10.588 -3.949 612 HZ1 LYS 75 3HZ LYS 75 10.604 12.670 -4.009 613 HZ2 LYS 75 1HZ LYS 75 9.546 13.355 -2.879 614 HZ3 LYS 75 2HZ LYS 75 8.984 12.929 -4.412 615 H GLN 76 H GLN 76 6.270 10.429 1.464 616 HA GLN 76 HA GLN 76 8.894 10.060 2.262 617 HB2 GLN 76 2HB GLN 76 6.525 11.044 3.860 618 HB3 GLN 76 1HB GLN 76 8.187 11.145 4.427 619 HG2 GLN 76 2HG GLN 76 8.775 12.618 2.619 620 HG3 GLN 76 1HG GLN 76 7.185 12.416 1.883 621 HE21 GLN 76 1HE2 GLN 76 5.410 13.421 2.822 622 HE22 GLN 76 2HE2 GLN 76 5.580 14.712 3.956 623 H LYS 77 H LYS 77 5.979 8.558 3.651 624 HA LYS 77 HA LYS 77 7.267 7.174 5.728 625 HB2 LYS 77 2HB LYS 77 4.723 6.484 4.266 626 HB3 LYS 77 1HB LYS 77 5.250 5.753 5.780 627 HG2 LYS 77 2HG LYS 77 5.217 7.992 6.834 628 HG3 LYS 77 1HG LYS 77 4.586 8.662 5.327 629 HD2 LYS 77 2HD LYS 77 2.661 7.111 5.520 630 HD3 LYS 77 1HD LYS 77 3.263 6.605 7.096 631 HE2 LYS 77 2HE LYS 77 2.394 9.390 6.312 632 HE3 LYS 77 1HE LYS 77 1.523 8.281 7.368 633 HZ1 LYS 77 3HZ LYS 77 2.734 9.925 8.643 634 HZ2 LYS 77 1HZ LYS 77 4.191 9.468 7.919 635 HZ3 LYS 77 2HZ LYS 77 3.375 8.389 8.931 636 H LEU 78 H LEU 78 6.862 6.352 2.339 637 HA LEU 78 HA LEU 78 7.914 3.681 2.591 638 HB2 LEU 78 2HB LEU 78 7.521 5.478 0.191 639 HB3 LEU 78 1HB LEU 78 8.039 3.804 0.093 640 HG LEU 78 HG LEU 78 5.396 4.700 1.264 641 HD11 LEU 78 1HD1 LEU 78 6.006 3.553 -1.458 642 HD12 LEU 78 2HD1 LEU 78 5.446 5.189 -1.111 643 HD13 LEU 78 3HD1 LEU 78 4.393 3.810 -0.793 644 HD21 LEU 78 3HD2 LEU 78 4.806 2.330 1.132 645 HD22 LEU 78 1HD2 LEU 78 6.210 2.578 2.168 646 HD23 LEU 78 2HD2 LEU 78 6.420 1.953 0.533 647 H GLU 79 H GLU 79 9.222 6.834 1.578 648 HA GLU 79 HA GLU 79 11.810 6.054 0.873 649 HB2 GLU 79 2HB GLU 79 10.929 8.630 2.202 650 HB3 GLU 79 1HB GLU 79 12.484 8.378 1.422 651 HG2 GLU 79 2HG GLU 79 11.344 8.009 -0.719 652 HG3 GLU 79 1HG GLU 79 9.792 8.294 0.069 653 H ALA 80 H ALA 80 10.443 6.812 4.044 654 HA ALA 80 HA ALA 80 12.782 6.762 5.585 655 HB1 ALA 80 3HB ALA 80 10.641 7.578 6.435 656 HB2 ALA 80 1HB ALA 80 11.311 6.339 7.498 657 HB3 ALA 80 2HB ALA 80 9.991 5.938 6.398 658 H GLU 81 H GLU 81 10.997 4.144 4.153 659 HA GLU 81 HA GLU 81 12.391 2.136 5.767 660 HB2 GLU 81 2HB GLU 81 10.332 1.705 3.590 661 HB3 GLU 81 1HB GLU 81 10.905 0.516 4.756 662 HG2 GLU 81 2HG GLU 81 10.007 2.115 6.547 663 HG3 GLU 81 1HG GLU 81 9.153 2.907 5.226 664 H GLY 82 H GLY 82 13.090 3.868 3.060 665 HA2 GLY 82 2HA GLY 82 15.140 3.578 1.897 666 HA3 GLY 82 1HA GLY 82 15.040 1.851 2.186 667 H ILE 83 H ILE 83 12.102 3.204 1.092 668 HA ILE 83 HA ILE 83 12.434 1.872 -1.477 669 HB ILE 83 HB ILE 83 9.997 3.209 -0.281 670 HG12 ILE 83 2HG1 ILE 83 10.742 0.273 -0.476 671 HG13 ILE 83 1HG1 ILE 83 10.788 1.239 0.993 672 HG21 ILE 83 1HG2 ILE 83 9.900 3.144 -2.729 673 HG22 ILE 83 2HG2 ILE 83 8.723 2.041 -2.019 674 HG23 ILE 83 3HG2 ILE 83 10.223 1.410 -2.702 675 HD11 ILE 83 3HD1 ILE 83 8.330 0.553 -0.602 676 HD12 ILE 83 1HD1 ILE 83 8.364 1.543 0.857 677 HD13 ILE 83 2HD1 ILE 83 8.819 -0.159 0.935 678 H GLU 84 H GLU 84 13.386 3.009 -3.060 679 HA GLU 84 HA GLU 84 13.361 5.865 -3.199 680 HB2 GLU 84 2HB GLU 84 14.223 3.843 -5.280 681 HB3 GLU 84 1HB GLU 84 14.574 5.565 -5.319 682 HG2 GLU 84 2HG GLU 84 15.879 5.337 -3.250 683 HG3 GLU 84 1HG GLU 84 15.550 3.604 -3.247 684 H VAL 85 H VAL 85 11.385 6.766 -3.530 685 HA VAL 85 HA VAL 85 9.621 5.751 -5.630 686 HB VAL 85 HB VAL 85 9.205 8.032 -3.677 687 HG11 VAL 85 1HG1 VAL 85 7.224 6.661 -5.506 688 HG12 VAL 85 2HG1 VAL 85 7.853 8.298 -5.696 689 HG13 VAL 85 3HG1 VAL 85 6.843 7.898 -4.307 690 HG21 VAL 85 3HG2 VAL 85 9.399 5.873 -2.540 691 HG22 VAL 85 1HG2 VAL 85 8.159 5.193 -3.597 692 HG23 VAL 85 2HG2 VAL 85 7.745 6.481 -2.464 693 H SER 86 H SER 86 9.435 6.645 -7.604 694 HA SER 86 HA SER 86 11.115 8.774 -8.473 695 HB2 SER 86 2HB SER 86 10.491 7.059 -10.058 696 HB3 SER 86 1HB SER 86 8.781 7.423 -9.842 697 HG SER 86 HG SER 86 9.949 8.356 -11.742 698 H GLU 87 H GLU 87 10.376 10.746 -9.538 699 HA GLU 87 HA GLU 87 9.400 12.487 -7.681 700 HB2 GLU 87 2HB GLU 87 9.223 14.147 -9.488 701 HB3 GLU 87 1HB GLU 87 10.701 13.200 -9.598 702 HG2 GLU 87 2HG GLU 87 9.727 11.847 -11.375 703 HG3 GLU 87 1HG GLU 87 8.213 12.741 -11.243 704 H ILE 88 H ILE 88 7.450 11.177 -10.389 705 HA ILE 88 HA ILE 88 5.124 12.673 -9.537 706 HB ILE 88 HB ILE 88 3.972 11.533 -11.438 707 HG12 ILE 88 2HG1 ILE 88 5.710 10.433 -13.095 708 HG13 ILE 88 1HG1 ILE 88 6.619 10.107 -11.625 709 HG21 ILE 88 1HG2 ILE 88 6.583 12.915 -12.071 710 HG22 ILE 88 2HG2 ILE 88 5.029 13.686 -11.755 711 HG23 ILE 88 3HG2 ILE 88 5.244 12.701 -13.201 712 HD11 ILE 88 3HD1 ILE 88 4.745 8.829 -10.742 713 HD12 ILE 88 1HD1 ILE 88 5.269 8.203 -12.305 714 HD13 ILE 88 2HD1 ILE 88 3.809 9.186 -12.193 715 H GLY 89 H GLY 89 6.377 10.323 -7.955 716 HA2 GLY 89 2HA GLY 89 5.474 8.932 -6.341 717 HA3 GLY 89 1HA GLY 89 3.875 9.258 -6.989 718 H LYS 90 H LYS 90 6.827 7.804 -8.411 719 HA LYS 90 HA LYS 90 5.157 5.458 -9.139 720 HB2 LYS 90 2HB LYS 90 5.835 6.859 -11.070 721 HB3 LYS 90 1HB LYS 90 7.517 6.567 -10.679 722 HG2 LYS 90 2HG LYS 90 5.673 4.267 -11.229 723 HG3 LYS 90 1HG LYS 90 6.365 5.195 -12.558 724 HD2 LYS 90 2HD LYS 90 8.636 4.712 -11.637 725 HD3 LYS 90 1HD LYS 90 7.880 3.676 -10.426 726 HE2 LYS 90 2HE LYS 90 7.009 2.222 -12.161 727 HE3 LYS 90 1HE LYS 90 7.644 3.290 -13.412 728 HZ1 LYS 90 3HZ LYS 90 9.224 1.695 -11.471 729 HZ2 LYS 90 1HZ LYS 90 9.889 2.828 -12.535 730 HZ3 LYS 90 2HZ LYS 90 9.119 1.453 -13.140 731 H ILE 91 H ILE 91 5.801 3.503 -8.484 732 HA ILE 91 HA ILE 91 8.439 3.264 -7.174 733 HB ILE 91 HB ILE 91 5.886 1.785 -6.486 734 HG12 ILE 91 2HG1 ILE 91 7.289 4.005 -4.970 735 HG13 ILE 91 1HG1 ILE 91 5.807 4.199 -5.899 736 HG21 ILE 91 1HG2 ILE 91 7.121 1.003 -4.506 737 HG22 ILE 91 2HG2 ILE 91 8.576 1.803 -5.105 738 HG23 ILE 91 3HG2 ILE 91 7.873 0.461 -6.007 739 HD11 ILE 91 3HD1 ILE 91 6.168 2.491 -3.448 740 HD12 ILE 91 1HD1 ILE 91 4.686 2.615 -4.397 741 HD13 ILE 91 2HD1 ILE 91 5.310 4.029 -3.550 742 H ALA 92 H ALA 92 9.624 1.348 -7.466 743 HA ALA 92 HA ALA 92 9.090 -0.136 -9.884 744 HB1 ALA 92 3HB ALA 92 11.218 -1.250 -9.423 745 HB2 ALA 92 1HB ALA 92 11.284 -0.480 -7.837 746 HB3 ALA 92 2HB ALA 92 11.371 0.503 -9.299 747 H LEU 93 H LEU 93 7.368 -1.520 -9.702 748 HA LEU 93 HA LEU 93 6.769 -3.024 -7.358 749 HB2 LEU 93 2HB LEU 93 5.755 -3.164 -10.185 750 HB3 LEU 93 1HB LEU 93 5.236 -4.317 -8.971 751 HG LEU 93 HG LEU 93 4.783 -1.332 -8.944 752 HD11 LEU 93 1HD1 LEU 93 2.882 -3.673 -9.119 753 HD12 LEU 93 2HD1 LEU 93 3.294 -2.558 -10.422 754 HD13 LEU 93 3HD1 LEU 93 2.415 -1.974 -9.010 755 HD21 LEU 93 3HD2 LEU 93 4.059 -3.372 -6.833 756 HD22 LEU 93 1HD2 LEU 93 3.579 -1.674 -6.843 757 HD23 LEU 93 2HD2 LEU 93 5.278 -2.107 -6.676 758 H ARG 94 H ARG 94 9.238 -3.542 -9.518 759 HA ARG 94 HA ARG 94 9.231 -6.448 -9.112 760 HB2 ARG 94 2HB ARG 94 11.078 -4.678 -10.728 761 HB3 ARG 94 1HB ARG 94 11.247 -6.424 -10.587 762 HG2 ARG 94 2HG ARG 94 9.019 -6.704 -11.613 763 HG3 ARG 94 1HG ARG 94 8.902 -4.952 -11.796 764 HD2 ARG 94 2HD ARG 94 9.601 -6.011 -13.883 765 HD3 ARG 94 1HD ARG 94 10.872 -4.966 -13.249 766 HE ARG 94 HE ARG 94 11.000 -7.826 -12.651 767 HH11 ARG 94 1HH1 ARG 94 12.216 -5.112 -14.386 768 HH12 ARG 94 2HH1 ARG 94 13.662 -5.924 -14.867 769 HH21 ARG 94 1HH2 ARG 94 12.874 -8.864 -13.266 770 HH22 ARG 94 2HH2 ARG 94 14.036 -8.019 -14.232 771 H LYS 95 H LYS 95 11.399 -3.672 -8.550 772 HA LYS 95 HA LYS 95 13.316 -5.141 -7.059 773 HB2 LYS 95 2HB LYS 95 13.729 -2.998 -8.305 774 HB3 LYS 95 1HB LYS 95 12.855 -2.149 -7.037 775 HG2 LYS 95 2HG LYS 95 14.519 -2.888 -5.394 776 HG3 LYS 95 1HG LYS 95 15.394 -3.740 -6.670 777 HD2 LYS 95 2HD LYS 95 15.641 -1.543 -7.859 778 HD3 LYS 95 1HD LYS 95 14.939 -0.759 -6.443 779 HE2 LYS 95 2HE LYS 95 17.468 -2.409 -6.474 780 HE3 LYS 95 1HE LYS 95 17.390 -0.649 -6.437 781 HZ1 LYS 95 3HZ LYS 95 16.327 -0.755 -4.291 782 HZ2 LYS 95 1HZ LYS 95 17.777 -1.618 -4.243 783 HZ3 LYS 95 2HZ LYS 95 16.304 -2.441 -4.335 784 H TYR 96 H TYR 96 10.380 -3.460 -6.146 785 HA TYR 96 HA TYR 96 11.037 -3.837 -3.282 786 HB2 TYR 96 2HB TYR 96 9.147 -1.836 -4.548 787 HB3 TYR 96 1HB TYR 96 9.438 -2.012 -2.820 788 HD1 TYR 96 HD1 TYR 96 11.787 -1.567 -1.946 789 HD2 TYR 96 HD2 TYR 96 10.535 -0.471 -5.869 790 HE1 TYR 96 HE1 TYR 96 13.653 0.027 -2.097 791 HE2 TYR 96 HE2 TYR 96 12.401 1.119 -6.027 792 HH TYR 96 HH TYR 96 14.943 1.207 -3.681 793 H LYS 97 H LYS 97 9.574 -5.584 -5.425 794 HA LYS 97 HA LYS 97 6.850 -5.685 -4.785 795 HB2 LYS 97 2HB LYS 97 8.007 -6.716 -6.775 796 HB3 LYS 97 1HB LYS 97 8.541 -8.008 -5.710 797 HG2 LYS 97 2HG LYS 97 6.251 -8.632 -5.250 798 HG3 LYS 97 1HG LYS 97 5.666 -7.272 -6.213 799 HD2 LYS 97 2HD LYS 97 6.664 -8.231 -8.216 800 HD3 LYS 97 1HD LYS 97 7.320 -9.566 -7.265 801 HE2 LYS 97 2HE LYS 97 5.039 -10.276 -6.698 802 HE3 LYS 97 1HE LYS 97 4.386 -8.933 -7.633 803 HZ1 LYS 97 3HZ LYS 97 4.315 -10.968 -8.897 804 HZ2 LYS 97 1HZ LYS 97 5.977 -11.197 -8.708 805 HZ3 LYS 97 2HZ LYS 97 5.402 -9.895 -9.621 806 H TRP 98 H TRP 98 5.734 -6.547 -3.117 807 HA TRP 98 HA TRP 98 6.961 -7.518 -0.806 808 HB2 TRP 98 2HB TRP 98 4.713 -6.613 -0.710 809 HB3 TRP 98 1HB TRP 98 4.108 -7.902 -1.746 810 HD1 TRP 98 HD1 TRP 98 6.490 -8.690 1.147 811 HE1 TRP 98 HE1 TRP 98 5.232 -10.075 2.909 812 HE3 TRP 98 HE3 TRP 98 1.753 -8.353 -0.773 813 HZ2 TRP 98 HZ2 TRP 98 2.602 -10.907 3.421 814 HZ3 TRP 98 HZ3 TRP 98 -0.078 -9.473 0.432 815 HH2 TRP 98 HH2 TRP 98 0.343 -10.724 2.492 816 H GLN 99 H GLN 99 8.243 -9.217 -0.826 817 HA GLN 99 HA GLN 99 7.273 -11.754 -1.967 818 HB2 GLN 99 2HB GLN 99 10.086 -10.748 -1.491 819 HB3 GLN 99 1HB GLN 99 9.713 -12.402 -1.958 820 HG2 GLN 99 2HG GLN 99 8.935 -11.754 -4.075 821 HG3 GLN 99 1HG GLN 99 8.797 -10.062 -3.603 822 HE21 GLN 99 1HE2 GLN 99 10.611 -8.770 -3.620 823 HE22 GLN 99 2HE2 GLN 99 12.108 -9.263 -4.326 824 HA PRO 100 HA PRO 100 7.110 -12.571 2.551 825 HB2 PRO 100 2HB PRO 100 5.180 -14.469 2.411 826 HB3 PRO 100 1HB PRO 100 4.811 -12.740 2.375 827 HG2 PRO 100 2HG PRO 100 5.039 -14.677 0.088 828 HG3 PRO 100 1HG PRO 100 3.798 -13.443 0.385 829 HD2 PRO 100 2HD PRO 100 5.854 -13.049 -1.335 830 HD3 PRO 100 1HD PRO 100 5.140 -11.725 -0.390 831 H LEU 101 H LEU 101 8.295 -14.217 -0.060 832 HA LEU 101 HA LEU 101 8.891 -16.703 1.383 833 HB2 LEU 101 2HB LEU 101 9.567 -16.000 -1.478 834 HB3 LEU 101 1HB LEU 101 9.590 -17.593 -0.742 835 HG LEU 101 HG LEU 101 7.129 -15.929 -1.320 836 HD11 LEU 101 1HD1 LEU 101 6.590 -17.712 -2.913 837 HD12 LEU 101 2HD1 LEU 101 8.139 -18.485 -2.567 838 HD13 LEU 101 3HD1 LEU 101 8.097 -16.892 -3.326 839 HD21 LEU 101 3HD2 LEU 101 6.796 -17.198 0.718 840 HD22 LEU 101 1HD2 LEU 101 7.369 -18.668 -0.071 841 HD23 LEU 101 2HD2 LEU 101 5.862 -17.915 -0.594 842 H GLU 102 H GLU 102 10.475 -13.929 -0.127 843 HA GLU 102 HA GLU 102 13.140 -14.933 0.545 844 HB2 GLU 102 2HB GLU 102 12.305 -12.483 -1.034 845 HB3 GLU 102 1HB GLU 102 13.952 -13.070 -0.852 846 HG2 GLU 102 2HG GLU 102 11.728 -14.636 -2.155 847 HG3 GLU 102 1HG GLU 102 12.883 -13.636 -3.029
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