NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
651091 | 6vga | 30707 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 21 HA MET 21 3.201 -15.755 1.212 2 HB2 MET 21 1HB MET 21 4.608 -16.652 2.994 3 HB3 MET 21 2HB MET 21 6.033 -15.920 2.271 4 HG2 MET 21 1HG MET 21 5.250 -14.650 4.191 5 HG3 MET 21 2HG MET 21 5.147 -13.704 2.707 6 HE1 MET 21 1HE MET 21 1.528 -15.602 4.844 7 HE2 MET 21 2HE MET 21 3.192 -15.718 5.417 8 HE3 MET 21 3HE MET 21 2.702 -16.561 3.949 9 H ARG 22 H ARG 22 2.876 -14.421 -0.535 10 HA ARG 22 HA ARG 22 5.120 -12.743 -1.388 11 HB2 ARG 22 1HB ARG 22 3.771 -13.897 -3.136 12 HB3 ARG 22 2HB ARG 22 2.359 -13.003 -2.599 13 HG2 ARG 22 1HG ARG 22 3.032 -11.765 -4.406 14 HG3 ARG 22 2HG ARG 22 3.823 -10.912 -3.082 15 HD2 ARG 22 1HD ARG 22 5.098 -12.957 -4.897 16 HD3 ARG 22 2HD ARG 22 5.335 -11.215 -4.971 17 HE ARG 22 HE ARG 22 6.095 -11.828 -2.450 18 HH11 ARG 22 1HH1 ARG 22 7.003 -13.054 -5.597 19 HH12 ARG 22 2HH1 ARG 22 8.596 -13.518 -5.094 20 HH21 ARG 22 1HH2 ARG 22 8.183 -12.450 -1.786 21 HH22 ARG 22 2HH2 ARG 22 9.272 -13.165 -2.931 22 H LEU 23 H LEU 23 5.243 -10.667 -0.785 23 HA LEU 23 HA LEU 23 2.926 -9.527 0.605 24 HB2 LEU 23 1HB LEU 23 5.857 -8.853 0.808 25 HB3 LEU 23 2HB LEU 23 4.589 -7.918 1.574 26 HG LEU 23 HG LEU 23 3.954 -10.172 2.712 27 HD11 LEU 23 1HD1 LEU 23 5.849 -11.655 3.096 28 HD12 LEU 23 2HD1 LEU 23 6.825 -10.708 1.973 29 HD13 LEU 23 3HD1 LEU 23 5.418 -11.596 1.386 30 HD21 LEU 23 1HD2 LEU 23 6.441 -8.648 3.459 31 HD22 LEU 23 2HD2 LEU 23 5.513 -9.696 4.533 32 HD23 LEU 23 3HD2 LEU 23 4.784 -8.224 3.892 33 H VAL 24 H VAL 24 2.104 -7.596 0.013 34 HA VAL 24 HA VAL 24 3.098 -6.481 -2.529 35 HB VAL 24 HB VAL 24 0.207 -6.749 -1.672 36 HG11 VAL 24 1HG1 VAL 24 0.616 -4.817 -3.107 37 HG12 VAL 24 2HG1 VAL 24 -0.323 -6.049 -3.950 38 HG13 VAL 24 3HG1 VAL 24 1.396 -5.858 -4.297 39 HG21 VAL 24 1HG2 VAL 24 1.721 -8.321 -3.753 40 HG22 VAL 24 2HG2 VAL 24 0.000 -8.456 -3.397 41 HG23 VAL 24 3HG2 VAL 24 1.191 -8.929 -2.185 42 H VAL 25 H VAL 25 3.272 -4.306 -2.629 43 HA VAL 25 HA VAL 25 2.109 -2.716 -0.438 44 HB VAL 25 HB VAL 25 4.727 -2.100 -1.828 45 HG11 VAL 25 1HG1 VAL 25 4.990 -0.434 -0.047 46 HG12 VAL 25 2HG1 VAL 25 3.400 -0.862 0.583 47 HG13 VAL 25 3HG1 VAL 25 3.547 -0.132 -1.016 48 HG21 VAL 25 1HG2 VAL 25 5.825 -2.732 0.269 49 HG22 VAL 25 2HG2 VAL 25 4.973 -4.099 -0.449 50 HG23 VAL 25 3HG2 VAL 25 4.272 -3.247 0.927 51 H LEU 26 H LEU 26 0.622 -1.391 -1.191 52 HA LEU 26 HA LEU 26 0.834 -0.467 -3.978 53 HB2 LEU 26 1HB LEU 26 -1.566 -1.039 -2.248 54 HB3 LEU 26 2HB LEU 26 -1.680 -0.136 -3.748 55 HG LEU 26 HG LEU 26 -0.448 -2.876 -3.693 56 HD11 LEU 26 1HD1 LEU 26 -3.367 -2.240 -4.086 57 HD12 LEU 26 2HD1 LEU 26 -2.673 -3.099 -2.711 58 HD13 LEU 26 3HD1 LEU 26 -2.602 -3.812 -4.323 59 HD21 LEU 26 1HD2 LEU 26 -0.143 -1.383 -5.646 60 HD22 LEU 26 2HD2 LEU 26 -1.895 -1.361 -5.853 61 HD23 LEU 26 3HD2 LEU 26 -1.004 -2.876 -6.022 62 H ILE 27 H ILE 27 1.329 1.590 -4.211 63 HA ILE 27 HA ILE 27 1.008 3.327 -1.855 64 HB ILE 27 HB ILE 27 3.325 3.029 -2.420 65 HG12 ILE 27 1HG1 ILE 27 2.455 5.752 -3.405 66 HG13 ILE 27 2HG1 ILE 27 2.561 5.294 -1.707 67 HG21 ILE 27 1HG2 ILE 27 4.253 3.669 -4.596 68 HG22 ILE 27 2HG2 ILE 27 2.623 3.982 -5.192 69 HG23 ILE 27 3HG2 ILE 27 3.096 2.345 -4.737 70 HD11 ILE 27 1HD1 ILE 27 4.962 4.922 -1.969 71 HD12 ILE 27 2HD1 ILE 27 4.503 6.569 -2.400 72 HD13 ILE 27 3HD1 ILE 27 4.845 5.391 -3.665 73 H VAL 28 H VAL 28 -0.292 5.013 -1.945 74 HA VAL 28 HA VAL 28 -1.481 5.726 -4.538 75 HB VAL 28 HB VAL 28 -2.426 6.383 -1.739 76 HG11 VAL 28 1HG1 VAL 28 -3.196 8.009 -3.357 77 HG12 VAL 28 2HG1 VAL 28 -4.538 6.995 -2.824 78 HG13 VAL 28 3HG1 VAL 28 -3.795 6.719 -4.400 79 HG21 VAL 28 1HG2 VAL 28 -2.541 3.997 -2.140 80 HG22 VAL 28 2HG2 VAL 28 -3.398 4.274 -3.655 81 HG23 VAL 28 3HG2 VAL 28 -4.161 4.694 -2.122 82 H SER 29 H SER 29 0.007 7.153 -5.356 83 HA SER 29 HA SER 29 -0.234 9.844 -4.560 84 HB2 SER 29 1HB SER 29 2.171 10.253 -3.978 85 HB3 SER 29 2HB SER 29 1.306 9.303 -2.772 86 HG SER 29 HG SER 29 2.892 7.961 -3.024 87 H ASN 30 H ASN 30 1.314 11.256 -5.885 88 HA ASN 30 HA ASN 30 2.574 9.793 -8.097 89 HB2 ASN 30 1HB ASN 30 0.396 10.839 -8.857 90 HB3 ASN 30 2HB ASN 30 1.083 12.408 -8.460 91 HD21 ASN 30 1HD2 ASN 30 0.154 11.399 -11.005 92 HD22 ASN 30 2HD2 ASN 30 1.495 11.497 -12.090 93 H ASP 31 H ASP 31 4.440 10.034 -6.829 94 HA ASP 31 HA ASP 31 5.577 12.745 -6.872 95 HB2 ASP 31 1HB ASP 31 4.940 11.901 -4.564 96 HB3 ASP 31 2HB ASP 31 6.181 10.671 -4.767 97 H LYS 32 H LYS 32 8.043 12.682 -6.842 98 HA LYS 32 HA LYS 32 8.989 10.467 -8.487 99 HB2 LYS 32 1HB LYS 32 10.118 13.153 -7.780 100 HB3 LYS 32 2HB LYS 32 11.190 11.882 -8.341 101 HG2 LYS 32 1HG LYS 32 10.630 13.183 -10.225 102 HG3 LYS 32 2HG LYS 32 9.732 11.675 -10.368 103 HD2 LYS 32 1HD LYS 32 8.261 13.452 -10.967 104 HD3 LYS 32 2HD LYS 32 7.758 12.856 -9.386 105 HE2 LYS 32 1HE LYS 32 8.843 14.710 -8.291 106 HE3 LYS 32 2HE LYS 32 9.512 15.268 -9.824 107 HZ1 LYS 32 1HZ LYS 32 6.626 15.147 -9.133 108 HZ2 LYS 32 2HZ LYS 32 7.261 15.667 -10.612 109 HZ3 LYS 32 3HZ LYS 32 7.571 16.548 -9.203 110 H LYS 33 H LYS 33 10.332 12.203 -5.690 111 HA LYS 33 HA LYS 33 12.228 10.249 -5.060 112 HB2 LYS 33 1HB LYS 33 12.475 12.532 -4.312 113 HB3 LYS 33 2HB LYS 33 11.015 12.412 -3.340 114 HG2 LYS 33 1HG LYS 33 12.114 10.702 -1.947 115 HG3 LYS 33 2HG LYS 33 13.588 10.914 -2.894 116 HD2 LYS 33 1HD LYS 33 13.731 13.234 -2.200 117 HD3 LYS 33 2HD LYS 33 12.211 13.084 -1.315 118 HE2 LYS 33 1HE LYS 33 13.234 11.398 0.139 119 HE3 LYS 33 2HE LYS 33 14.750 11.562 -0.743 120 HZ1 LYS 33 1HZ LYS 33 13.414 13.717 0.799 121 HZ2 LYS 33 2HZ LYS 33 14.872 13.866 -0.036 122 HZ3 LYS 33 3HZ LYS 33 14.769 12.842 1.304 123 H LEU 34 H LEU 34 9.000 10.821 -3.674 124 HA LEU 34 HA LEU 34 9.176 8.945 -1.597 125 HB2 LEU 34 1HB LEU 34 7.387 10.549 -1.646 126 HB3 LEU 34 2HB LEU 34 6.795 9.911 -3.165 127 HG LEU 34 HG LEU 34 6.332 7.747 -1.947 128 HD11 LEU 34 1HD1 LEU 34 7.735 8.048 -0.029 129 HD12 LEU 34 2HD1 LEU 34 6.057 7.919 0.490 130 HD13 LEU 34 3HD1 LEU 34 6.846 9.495 0.444 131 HD21 LEU 34 1HD2 LEU 34 4.859 10.223 -1.077 132 HD22 LEU 34 2HD2 LEU 34 4.246 8.572 -0.982 133 HD23 LEU 34 3HD2 LEU 34 4.573 9.302 -2.553 134 H ILE 35 H ILE 35 7.912 8.581 -4.892 135 HA ILE 35 HA ILE 35 7.227 5.864 -4.632 136 HB ILE 35 HB ILE 35 7.811 7.531 -7.079 137 HG12 ILE 35 1HG1 ILE 35 5.265 6.541 -5.775 138 HG13 ILE 35 2HG1 ILE 35 5.826 8.207 -5.864 139 HG21 ILE 35 1HG2 ILE 35 8.284 5.194 -7.593 140 HG22 ILE 35 2HG2 ILE 35 6.815 5.736 -8.405 141 HG23 ILE 35 3HG2 ILE 35 6.704 4.728 -6.961 142 HD11 ILE 35 1HD1 ILE 35 5.517 8.195 -8.275 143 HD12 ILE 35 2HD1 ILE 35 4.023 7.766 -7.442 144 HD13 ILE 35 3HD1 ILE 35 4.997 6.511 -8.209 145 H GLU 36 H GLU 36 10.215 7.489 -5.579 146 HA GLU 36 HA GLU 36 11.698 5.251 -6.365 147 HB2 GLU 36 1HB GLU 36 12.606 7.726 -4.890 148 HB3 GLU 36 2HB GLU 36 13.697 6.525 -5.559 149 HG2 GLU 36 1HG GLU 36 12.732 7.007 -7.803 150 HG3 GLU 36 2HG GLU 36 11.828 8.331 -7.064 151 H GLU 37 H GLU 37 11.654 6.814 -3.162 152 HA GLU 37 HA GLU 37 13.224 4.905 -1.866 153 HB2 GLU 37 1HB GLU 37 11.135 6.786 -0.769 154 HB3 GLU 37 2HB GLU 37 12.213 5.831 0.240 155 HG2 GLU 37 1HG GLU 37 13.101 7.864 -1.795 156 HG3 GLU 37 2HG GLU 37 12.971 8.151 -0.060 157 H ALA 38 H ALA 38 9.757 5.005 -2.410 158 HA ALA 38 HA ALA 38 9.088 2.920 -0.617 159 HB1 ALA 38 1HB ALA 38 6.947 2.871 -1.756 160 HB2 ALA 38 2HB ALA 38 7.609 3.821 -3.086 161 HB3 ALA 38 3HB ALA 38 7.451 4.541 -1.484 162 H ARG 39 H ARG 39 9.679 2.969 -4.129 163 HA ARG 39 HA ARG 39 9.229 0.160 -4.387 164 HB2 ARG 39 1HB ARG 39 8.858 1.779 -6.239 165 HB3 ARG 39 2HB ARG 39 10.601 2.001 -6.347 166 HG2 ARG 39 1HG ARG 39 10.884 -0.362 -6.865 167 HG3 ARG 39 2HG ARG 39 9.142 -0.602 -6.744 168 HD2 ARG 39 1HD ARG 39 8.796 0.910 -8.620 169 HD3 ARG 39 2HD ARG 39 10.535 1.191 -8.725 170 HE ARG 39 HE ARG 39 10.211 -1.543 -8.899 171 HH11 ARG 39 1HH1 ARG 39 9.139 1.256 -10.711 172 HH12 ARG 39 2HH1 ARG 39 9.083 0.420 -12.227 173 HH21 ARG 39 1HH2 ARG 39 10.144 -2.649 -10.893 174 HH22 ARG 39 2HH2 ARG 39 9.662 -1.807 -12.331 175 H LYS 40 H LYS 40 12.099 2.194 -4.088 176 HA LYS 40 HA LYS 40 14.068 0.297 -4.620 177 HB2 LYS 40 1HB LYS 40 14.045 2.614 -2.690 178 HB3 LYS 40 2HB LYS 40 15.481 1.656 -3.018 179 HG2 LYS 40 1HG LYS 40 15.580 2.358 -5.260 180 HG3 LYS 40 2HG LYS 40 13.948 3.016 -5.208 181 HD2 LYS 40 1HD LYS 40 15.616 4.794 -5.182 182 HD3 LYS 40 2HD LYS 40 14.696 4.770 -3.680 183 HE2 LYS 40 1HE LYS 40 17.298 3.315 -3.863 184 HE3 LYS 40 2HE LYS 40 17.283 5.061 -3.629 185 HZ1 LYS 40 1HZ LYS 40 17.396 3.903 -1.523 186 HZ2 LYS 40 2HZ LYS 40 15.968 3.065 -1.862 187 HZ3 LYS 40 3HZ LYS 40 15.933 4.747 -1.648 188 H MET 41 H MET 41 12.214 0.882 -1.695 189 HA MET 41 HA MET 41 13.577 -0.982 -0.071 190 HB2 MET 41 1HB MET 41 10.782 0.146 0.056 191 HB3 MET 41 2HB MET 41 11.408 -0.974 1.258 192 HG2 MET 41 1HG MET 41 12.566 1.722 0.596 193 HG3 MET 41 2HG MET 41 11.565 1.340 1.995 194 HE1 MET 41 1HE MET 41 13.857 -1.075 4.034 195 HE2 MET 41 2HE MET 41 12.675 -1.558 2.818 196 HE3 MET 41 3HE MET 41 12.296 -0.258 3.948 197 H ALA 42 H ALA 42 10.692 -1.194 -2.094 198 HA ALA 42 HA ALA 42 10.007 -3.845 -1.454 199 HB1 ALA 42 1HB ALA 42 8.443 -2.268 -2.464 200 HB2 ALA 42 2HB ALA 42 8.564 -3.750 -3.411 201 HB3 ALA 42 3HB ALA 42 9.384 -2.287 -3.955 202 H GLU 43 H GLU 43 11.932 -2.500 -4.118 203 HA GLU 43 HA GLU 43 12.303 -4.863 -5.565 204 HB2 GLU 43 1HB GLU 43 14.179 -2.510 -5.277 205 HB3 GLU 43 2HB GLU 43 14.305 -3.757 -6.509 206 HG2 GLU 43 1HG GLU 43 11.986 -1.871 -6.177 207 HG3 GLU 43 2HG GLU 43 13.294 -1.686 -7.343 208 H LYS 44 H LYS 44 14.215 -3.488 -2.914 209 HA LYS 44 HA LYS 44 16.174 -5.599 -3.074 210 HB2 LYS 44 1HB LYS 44 15.825 -3.157 -1.395 211 HB3 LYS 44 2HB LYS 44 16.900 -4.426 -0.827 212 HG2 LYS 44 1HG LYS 44 18.189 -2.784 -1.992 213 HG3 LYS 44 2HG LYS 44 18.156 -4.258 -2.954 214 HD2 LYS 44 1HD LYS 44 16.384 -3.281 -4.355 215 HD3 LYS 44 2HD LYS 44 16.465 -1.799 -3.402 216 HE2 LYS 44 1HE LYS 44 18.855 -1.585 -4.049 217 HE3 LYS 44 2HE LYS 44 18.656 -2.987 -5.099 218 HZ1 LYS 44 1HZ LYS 44 16.973 -1.765 -6.340 219 HZ2 LYS 44 2HZ LYS 44 18.444 -0.932 -6.336 220 HZ3 LYS 44 3HZ LYS 44 17.183 -0.421 -5.334 221 H ALA 45 H ALA 45 13.154 -5.305 -1.640 222 HA ALA 45 HA ALA 45 13.808 -7.429 0.295 223 HB1 ALA 45 1HB ALA 45 11.957 -6.640 1.675 224 HB2 ALA 45 2HB ALA 45 11.630 -5.355 0.512 225 HB3 ALA 45 3HB ALA 45 13.145 -5.363 1.415 226 H ASN 46 H ASN 46 12.987 -7.472 -2.554 227 HA ASN 46 HA ASN 46 11.469 -8.307 -4.004 228 HB2 ASN 46 1HB ASN 46 11.427 -10.625 -4.012 229 HB3 ASN 46 2HB ASN 46 12.877 -10.225 -3.121 230 HD21 ASN 46 1HD2 ASN 46 11.495 -9.727 -0.585 231 HD22 ASN 46 2HD2 ASN 46 11.005 -11.284 -0.017 232 H LEU 47 H LEU 47 10.054 -6.591 -2.642 233 HA LEU 47 HA LEU 47 7.526 -7.926 -1.959 234 HB2 LEU 47 1HB LEU 47 8.265 -5.010 -1.671 235 HB3 LEU 47 2HB LEU 47 6.823 -5.784 -1.048 236 HG LEU 47 HG LEU 47 9.642 -6.337 -0.109 237 HD11 LEU 47 1HD1 LEU 47 8.862 -4.119 0.535 238 HD12 LEU 47 2HD1 LEU 47 8.955 -5.191 1.932 239 HD13 LEU 47 3HD1 LEU 47 7.391 -4.823 1.204 240 HD21 LEU 47 1HD2 LEU 47 6.998 -7.295 0.978 241 HD22 LEU 47 2HD2 LEU 47 8.590 -7.631 1.655 242 HD23 LEU 47 3HD2 LEU 47 8.150 -8.282 0.077 243 H GLU 48 H GLU 48 5.634 -7.473 -3.100 244 HA GLU 48 HA GLU 48 6.024 -6.487 -5.801 245 HB2 GLU 48 1HB GLU 48 4.668 -8.502 -5.415 246 HB3 GLU 48 2HB GLU 48 3.568 -7.576 -4.405 247 HG2 GLU 48 1HG GLU 48 2.655 -7.970 -6.630 248 HG3 GLU 48 2HG GLU 48 2.878 -6.248 -6.312 249 H LEU 49 H LEU 49 6.239 -4.287 -5.779 250 HA LEU 49 HA LEU 49 4.140 -2.783 -4.375 251 HB2 LEU 49 1HB LEU 49 6.495 -2.388 -3.639 252 HB3 LEU 49 2HB LEU 49 6.848 -1.772 -5.240 253 HG LEU 49 HG LEU 49 4.619 -0.502 -3.714 254 HD11 LEU 49 1HD1 LEU 49 6.188 0.986 -2.590 255 HD12 LEU 49 2HD1 LEU 49 7.540 0.038 -3.209 256 HD13 LEU 49 3HD1 LEU 49 6.407 -0.683 -2.067 257 HD21 LEU 49 1HD2 LEU 49 6.762 0.566 -5.551 258 HD22 LEU 49 2HD2 LEU 49 5.429 1.494 -4.863 259 HD23 LEU 49 3HD2 LEU 49 5.099 0.194 -6.008 260 H ILE 50 H ILE 50 2.711 -1.751 -5.521 261 HA ILE 50 HA ILE 50 3.310 -1.157 -8.341 262 HB ILE 50 HB ILE 50 0.751 -2.158 -7.110 263 HG12 ILE 50 1HG1 ILE 50 2.398 -3.147 -9.444 264 HG13 ILE 50 2HG1 ILE 50 2.419 -3.833 -7.823 265 HG21 ILE 50 1HG2 ILE 50 0.180 -0.282 -8.536 266 HG22 ILE 50 2HG2 ILE 50 -0.342 -1.801 -9.269 267 HG23 ILE 50 3HG2 ILE 50 1.107 -0.987 -9.862 268 HD11 ILE 50 1HD1 ILE 50 0.054 -3.765 -9.682 269 HD12 ILE 50 2HD1 ILE 50 0.071 -4.453 -8.058 270 HD13 ILE 50 3HD1 ILE 50 1.064 -5.167 -9.329 271 H THR 51 H THR 51 2.921 0.857 -9.033 272 HA THR 51 HA THR 51 2.309 2.871 -7.074 273 HB THR 51 HB THR 51 2.674 4.417 -9.076 274 HG1 THR 51 HG1 THR 51 2.399 3.103 -10.822 275 HG21 THR 51 1HG2 THR 51 4.409 3.970 -7.411 276 HG22 THR 51 2HG2 THR 51 5.107 4.102 -9.025 277 HG23 THR 51 3HG2 THR 51 4.885 2.516 -8.287 278 H VAL 52 H VAL 52 0.362 3.638 -6.666 279 HA VAL 52 HA VAL 52 -1.772 3.277 -8.661 280 HB VAL 52 HB VAL 52 -1.910 3.581 -5.652 281 HG11 VAL 52 1HG1 VAL 52 -4.225 3.282 -7.561 282 HG12 VAL 52 2HG1 VAL 52 -3.745 4.806 -6.805 283 HG13 VAL 52 3HG1 VAL 52 -4.307 3.456 -5.807 284 HG21 VAL 52 1HG2 VAL 52 -2.686 1.303 -7.473 285 HG22 VAL 52 2HG2 VAL 52 -2.898 1.341 -5.722 286 HG23 VAL 52 3HG2 VAL 52 -1.276 1.356 -6.414 287 HA PRO 53 HA PRO 53 -2.169 7.759 -9.096 288 HB2 PRO 53 1HB PRO 53 -4.939 7.675 -9.439 289 HB3 PRO 53 2HB PRO 53 -3.739 7.585 -10.731 290 HG2 PRO 53 1HG PRO 53 -5.223 5.389 -9.362 291 HG3 PRO 53 2HG PRO 53 -4.768 5.545 -11.069 292 HD2 PRO 53 1HD PRO 53 -3.425 3.920 -9.434 293 HD3 PRO 53 2HD PRO 53 -2.576 4.867 -10.674 294 H GLY 54 H GLY 54 -3.356 9.449 -8.011 295 HA2 GLY 54 1HA GLY 54 -3.123 9.141 -5.234 296 HA3 GLY 54 2HA GLY 54 -3.708 10.568 -6.059 297 H SER 55 H SER 55 -5.586 7.794 -6.740 298 HA SER 55 HA SER 55 -7.612 8.706 -4.833 299 HB2 SER 55 1HB SER 55 -9.109 7.179 -6.187 300 HB3 SER 55 2HB SER 55 -8.525 8.630 -7.014 301 HG SER 55 HG SER 55 -7.250 6.095 -7.197 302 HA PRO 56 HA PRO 56 -6.592 5.298 -2.266 303 HB2 PRO 56 1HB PRO 56 -8.654 5.465 -0.551 304 HB3 PRO 56 2HB PRO 56 -7.381 6.686 -0.629 305 HG2 PRO 56 1HG PRO 56 -10.084 6.743 -1.919 306 HG3 PRO 56 2HG PRO 56 -9.310 7.984 -0.910 307 HD2 PRO 56 1HD PRO 56 -9.249 8.133 -3.586 308 HD3 PRO 56 2HD PRO 56 -7.856 8.630 -2.603 309 H GLU 57 H GLU 57 -9.844 5.451 -3.688 310 HA GLU 57 HA GLU 57 -10.635 2.839 -2.933 311 HB2 GLU 57 1HB GLU 57 -12.190 4.651 -3.679 312 HB3 GLU 57 2HB GLU 57 -11.592 4.435 -5.316 313 HG2 GLU 57 1HG GLU 57 -12.329 2.022 -5.115 314 HG3 GLU 57 2HG GLU 57 -13.182 2.513 -3.654 315 H GLU 58 H GLU 58 -9.007 4.141 -5.756 316 HA GLU 58 HA GLU 58 -9.076 1.966 -7.476 317 HB2 GLU 58 1HB GLU 58 -8.201 4.278 -7.968 318 HB3 GLU 58 2HB GLU 58 -6.734 3.844 -7.103 319 HG2 GLU 58 1HG GLU 58 -6.226 3.547 -9.362 320 HG3 GLU 58 2HG GLU 58 -6.513 1.922 -8.744 321 H ALA 59 H ALA 59 -6.761 2.732 -4.910 322 HA ALA 59 HA ALA 59 -4.975 0.614 -5.396 323 HB1 ALA 59 1HB ALA 59 -4.381 2.587 -4.081 324 HB2 ALA 59 2HB ALA 59 -4.073 1.098 -3.190 325 HB3 ALA 59 3HB ALA 59 -5.491 2.074 -2.812 326 H ILE 60 H ILE 60 -7.637 0.910 -3.045 327 HA ILE 60 HA ILE 60 -7.140 -1.591 -1.830 328 HB ILE 60 HB ILE 60 -9.757 -0.086 -1.879 329 HG12 ILE 60 1HG1 ILE 60 -7.946 1.341 -1.052 330 HG13 ILE 60 2HG1 ILE 60 -9.008 0.873 0.272 331 HG21 ILE 60 1HG2 ILE 60 -8.677 -2.239 -0.065 332 HG22 ILE 60 2HG2 ILE 60 -10.077 -2.342 -1.133 333 HG23 ILE 60 3HG2 ILE 60 -10.119 -1.291 0.282 334 HD11 ILE 60 1HD1 ILE 60 -6.330 -0.335 -0.362 335 HD12 ILE 60 2HD1 ILE 60 -7.393 -0.827 0.955 336 HD13 ILE 60 3HD1 ILE 60 -6.688 0.790 0.947 337 H ARG 61 H ARG 61 -9.316 -0.606 -4.442 338 HA ARG 61 HA ARG 61 -10.606 -3.112 -4.672 339 HB2 ARG 61 1HB ARG 61 -10.268 -0.846 -6.633 340 HB3 ARG 61 2HB ARG 61 -11.232 -2.279 -6.971 341 HG2 ARG 61 1HG ARG 61 -12.683 -1.795 -5.107 342 HG3 ARG 61 2HG ARG 61 -11.686 -0.413 -4.654 343 HD2 ARG 61 1HD ARG 61 -13.623 0.383 -5.825 344 HD3 ARG 61 2HD ARG 61 -12.208 0.619 -6.845 345 HE ARG 61 HE ARG 61 -13.241 -1.809 -7.598 346 HH11 ARG 61 1HH1 ARG 61 -14.395 1.505 -7.465 347 HH12 ARG 61 2HH1 ARG 61 -15.519 1.292 -8.773 348 HH21 ARG 61 1HH2 ARG 61 -14.724 -2.082 -9.309 349 HH22 ARG 61 2HH2 ARG 61 -15.707 -0.750 -9.820 350 H LEU 62 H LEU 62 -7.625 -1.820 -6.007 351 HA LEU 62 HA LEU 62 -7.157 -4.064 -7.722 352 HB2 LEU 62 1HB LEU 62 -6.077 -1.874 -8.092 353 HB3 LEU 62 2HB LEU 62 -5.195 -2.066 -6.589 354 HG LEU 62 HG LEU 62 -4.066 -4.060 -7.536 355 HD11 LEU 62 1HD1 LEU 62 -5.746 -4.744 -9.143 356 HD12 LEU 62 2HD1 LEU 62 -4.204 -4.460 -9.952 357 HD13 LEU 62 3HD1 LEU 62 -5.495 -3.262 -10.068 358 HD21 LEU 62 1HD2 LEU 62 -2.611 -2.834 -9.069 359 HD22 LEU 62 2HD2 LEU 62 -2.993 -1.885 -7.634 360 HD23 LEU 62 3HD2 LEU 62 -3.802 -1.536 -9.162 361 H ALA 63 H ALA 63 -6.265 -3.152 -4.436 362 HA ALA 63 HA ALA 63 -4.550 -5.264 -3.811 363 HB1 ALA 63 1HB ALA 63 -4.894 -3.323 -2.351 364 HB2 ALA 63 2HB ALA 63 -5.124 -4.838 -1.478 365 HB3 ALA 63 3HB ALA 63 -6.523 -3.891 -1.983 366 H GLN 64 H GLN 64 -8.073 -5.039 -3.637 367 HA GLN 64 HA GLN 64 -8.612 -7.569 -2.589 368 HB2 GLN 64 1HB GLN 64 -10.212 -5.861 -4.505 369 HB3 GLN 64 2HB GLN 64 -10.834 -7.321 -3.746 370 HG2 GLN 64 1HG GLN 64 -10.557 -6.325 -1.549 371 HG3 GLN 64 2HG GLN 64 -9.861 -4.879 -2.277 372 HE21 GLN 64 1HE2 GLN 64 -11.757 -4.944 -4.522 373 HE22 GLN 64 2HE2 GLN 64 -13.259 -4.384 -3.877 374 H GLU 65 H GLU 65 -8.128 -6.528 -5.942 375 HA GLU 65 HA GLU 65 -8.591 -9.063 -7.121 376 HB2 GLU 65 1HB GLU 65 -6.967 -6.711 -8.108 377 HB3 GLU 65 2HB GLU 65 -7.375 -8.118 -9.080 378 HG2 GLU 65 1HG GLU 65 -9.289 -6.118 -7.905 379 HG3 GLU 65 2HG GLU 65 -8.864 -6.313 -9.605 380 H ILE 66 H ILE 66 -5.561 -7.377 -6.239 381 HA ILE 66 HA ILE 66 -3.811 -9.380 -7.093 382 HB ILE 66 HB ILE 66 -3.450 -7.411 -4.829 383 HG12 ILE 66 1HG1 ILE 66 -2.593 -7.323 -7.732 384 HG13 ILE 66 2HG1 ILE 66 -3.890 -6.372 -7.013 385 HG21 ILE 66 1HG2 ILE 66 -1.421 -9.106 -6.280 386 HG22 ILE 66 2HG2 ILE 66 -1.871 -9.221 -4.579 387 HG23 ILE 66 3HG2 ILE 66 -1.029 -7.790 -5.175 388 HD11 ILE 66 1HD1 ILE 66 -2.244 -5.259 -5.578 389 HD12 ILE 66 2HD1 ILE 66 -1.911 -5.028 -7.293 390 HD13 ILE 66 3HD1 ILE 66 -0.962 -6.183 -6.359 391 H ALA 67 H ALA 67 -5.342 -8.917 -3.918 392 HA ALA 67 HA ALA 67 -4.088 -11.136 -2.675 393 HB1 ALA 67 1HB ALA 67 -5.102 -9.322 -1.393 394 HB2 ALA 67 2HB ALA 67 -5.788 -10.882 -0.940 395 HB3 ALA 67 3HB ALA 67 -6.696 -9.791 -1.984 396 H GLU 68 H GLU 68 -7.166 -10.727 -4.350 397 HA GLU 68 HA GLU 68 -8.294 -13.233 -3.897 398 HB2 GLU 68 1HB GLU 68 -9.531 -11.391 -4.909 399 HB3 GLU 68 2HB GLU 68 -8.492 -11.443 -6.325 400 HG2 GLU 68 1HG GLU 68 -9.313 -13.830 -6.635 401 HG3 GLU 68 2HG GLU 68 -10.558 -13.428 -5.454 402 H LYS 69 H LYS 69 -6.243 -12.138 -6.576 403 HA LYS 69 HA LYS 69 -6.360 -14.762 -7.811 404 HB2 LYS 69 1HB LYS 69 -4.738 -12.407 -8.760 405 HB3 LYS 69 2HB LYS 69 -5.381 -13.741 -9.710 406 HG2 LYS 69 1HG LYS 69 -7.669 -12.908 -9.239 407 HG3 LYS 69 2HG LYS 69 -6.954 -11.528 -8.413 408 HD2 LYS 69 1HD LYS 69 -5.786 -10.927 -10.503 409 HD3 LYS 69 2HD LYS 69 -6.611 -12.259 -11.315 410 HE2 LYS 69 1HE LYS 69 -7.903 -9.865 -10.017 411 HE3 LYS 69 2HE LYS 69 -7.765 -10.171 -11.745 412 HZ1 LYS 69 1HZ LYS 69 -9.334 -11.771 -9.790 413 HZ2 LYS 69 2HZ LYS 69 -9.141 -12.163 -11.428 414 HZ3 LYS 69 3HZ LYS 69 -9.950 -10.745 -10.989 415 H ALA 70 H ALA 70 -4.768 -13.934 -5.263 416 HA ALA 70 HA ALA 70 -2.064 -14.639 -6.076 417 HB1 ALA 70 1HB ALA 70 -1.448 -14.138 -3.782 418 HB2 ALA 70 2HB ALA 70 -3.147 -13.956 -3.349 419 HB3 ALA 70 3HB ALA 70 -2.394 -12.816 -4.466 420 HA PRO 71 HA PRO 71 -2.811 -18.887 -4.853 421 HB2 PRO 71 1HB PRO 71 -0.321 -19.801 -5.403 422 HB3 PRO 71 2HB PRO 71 -1.525 -19.515 -6.662 423 HG2 PRO 71 1HG PRO 71 0.788 -17.820 -5.830 424 HG3 PRO 71 2HG PRO 71 0.166 -18.147 -7.457 425 HD2 PRO 71 1HD PRO 71 -0.351 -15.851 -6.056 426 HD3 PRO 71 2HD PRO 71 -1.425 -16.509 -7.306 427 H GLY 72 H GLY 72 -3.017 -18.899 -2.681 428 HA2 GLY 72 1HA GLY 72 -2.119 -19.687 -0.633 429 HA3 GLY 72 2HA GLY 72 -0.535 -19.121 -1.142 430 HA PRO 73 HA PRO 73 -2.319 -16.031 1.799 431 HB2 PRO 73 1HB PRO 73 0.070 -16.241 3.378 432 HB3 PRO 73 2HB PRO 73 -1.567 -16.736 3.806 433 HG2 PRO 73 1HG PRO 73 0.527 -18.474 3.393 434 HG3 PRO 73 2HG PRO 73 -1.184 -18.910 3.248 435 HD2 PRO 73 1HD PRO 73 0.798 -18.260 1.107 436 HD3 PRO 73 2HD PRO 73 -0.499 -19.473 1.116 437 H VAL 74 H VAL 74 -1.997 -13.911 1.551 438 HA VAL 74 HA VAL 74 0.702 -12.962 0.876 439 HB VAL 74 HB VAL 74 -0.369 -11.173 -0.531 440 HG11 VAL 74 1HG1 VAL 74 -0.745 -13.998 -1.505 441 HG12 VAL 74 2HG1 VAL 74 0.778 -13.111 -1.494 442 HG13 VAL 74 3HG1 VAL 74 -0.554 -12.558 -2.505 443 HG21 VAL 74 1HG2 VAL 74 -2.603 -11.624 -1.443 444 HG22 VAL 74 2HG2 VAL 74 -2.646 -11.351 0.299 445 HG23 VAL 74 3HG2 VAL 74 -2.770 -12.990 -0.340 446 H LYS 75 H LYS 75 1.017 -10.669 1.328 447 HA LYS 75 HA LYS 75 -0.795 -9.601 3.387 448 HB2 LYS 75 1HB LYS 75 2.223 -9.370 3.417 449 HB3 LYS 75 2HB LYS 75 1.116 -8.741 4.627 450 HG2 LYS 75 1HG LYS 75 0.478 -11.009 5.239 451 HG3 LYS 75 2HG LYS 75 1.564 -11.652 4.007 452 HD2 LYS 75 1HD LYS 75 3.463 -10.589 5.159 453 HD3 LYS 75 2HD LYS 75 2.361 -10.010 6.409 454 HE2 LYS 75 1HE LYS 75 2.886 -12.897 5.714 455 HE3 LYS 75 2HE LYS 75 3.544 -12.038 7.104 456 HZ1 LYS 75 1HZ LYS 75 1.281 -11.703 7.906 457 HZ2 LYS 75 2HZ LYS 75 1.637 -13.346 7.739 458 HZ3 LYS 75 3HZ LYS 75 0.669 -12.571 6.589 459 H VAL 76 H VAL 76 -1.609 -7.691 2.702 460 HA VAL 76 HA VAL 76 -0.044 -6.244 0.670 461 HB VAL 76 HB VAL 76 -3.023 -6.062 1.075 462 HG11 VAL 76 1HG1 VAL 76 -2.049 -4.118 0.007 463 HG12 VAL 76 2HG1 VAL 76 -2.999 -5.041 -1.156 464 HG13 VAL 76 3HG1 VAL 76 -1.239 -5.148 -1.174 465 HG21 VAL 76 1HG2 VAL 76 -2.471 -8.331 0.403 466 HG22 VAL 76 2HG2 VAL 76 -1.497 -7.716 -0.933 467 HG23 VAL 76 3HG2 VAL 76 -3.242 -7.468 -0.928 468 H LEU 77 H LEU 77 0.652 -4.291 1.130 469 HA LEU 77 HA LEU 77 -0.560 -2.806 3.372 470 HB2 LEU 77 1HB LEU 77 1.733 -3.386 3.856 471 HB3 LEU 77 2HB LEU 77 2.260 -2.794 2.294 472 HG LEU 77 HG LEU 77 1.608 -0.489 3.010 473 HD11 LEU 77 1HD1 LEU 77 1.268 -0.069 5.394 474 HD12 LEU 77 2HD1 LEU 77 1.252 -1.805 5.698 475 HD13 LEU 77 3HD1 LEU 77 -0.017 -1.069 4.720 476 HD21 LEU 77 1HD2 LEU 77 3.640 -1.925 4.712 477 HD22 LEU 77 2HD2 LEU 77 3.542 -0.178 4.490 478 HD23 LEU 77 3HD2 LEU 77 3.916 -1.222 3.118 479 H VAL 78 H VAL 78 -1.547 -0.951 2.859 480 HA VAL 78 HA VAL 78 -0.975 0.227 0.217 481 HB VAL 78 HB VAL 78 -3.504 0.463 1.859 482 HG11 VAL 78 1HG1 VAL 78 -3.085 2.460 0.526 483 HG12 VAL 78 2HG1 VAL 78 -4.448 1.548 -0.123 484 HG13 VAL 78 3HG1 VAL 78 -2.876 1.467 -0.916 485 HG21 VAL 78 1HG2 VAL 78 -3.204 -1.772 0.913 486 HG22 VAL 78 2HG2 VAL 78 -2.981 -1.068 -0.687 487 HG23 VAL 78 3HG2 VAL 78 -4.533 -0.917 0.133 488 H LEU 79 H LEU 79 -0.209 2.254 0.142 489 HA LEU 79 HA LEU 79 -0.082 3.739 2.688 490 HB2 LEU 79 1HB LEU 79 1.923 3.718 0.429 491 HB3 LEU 79 2HB LEU 79 2.040 4.694 1.879 492 HG LEU 79 HG LEU 79 2.125 1.677 1.786 493 HD11 LEU 79 1HD1 LEU 79 4.473 1.961 2.424 494 HD12 LEU 79 2HD1 LEU 79 4.297 3.709 2.273 495 HD13 LEU 79 3HD1 LEU 79 4.128 2.680 0.851 496 HD21 LEU 79 1HD2 LEU 79 2.451 3.598 4.086 497 HD22 LEU 79 2HD2 LEU 79 2.759 1.864 4.157 498 HD23 LEU 79 3HD2 LEU 79 1.128 2.457 3.850 499 H ILE 80 H ILE 80 -1.475 5.372 2.608 500 HA ILE 80 HA ILE 80 -1.935 6.784 0.087 501 HB ILE 80 HB ILE 80 -3.287 7.142 2.771 502 HG12 ILE 80 1HG1 ILE 80 -4.254 5.769 0.249 503 HG13 ILE 80 2HG1 ILE 80 -3.746 4.953 1.725 504 HG21 ILE 80 1HG2 ILE 80 -4.945 8.456 1.520 505 HG22 ILE 80 2HG2 ILE 80 -3.966 8.288 0.064 506 HG23 ILE 80 3HG2 ILE 80 -3.340 9.184 1.447 507 HD11 ILE 80 1HD1 ILE 80 -5.594 5.982 2.933 508 HD12 ILE 80 2HD1 ILE 80 -6.165 5.051 1.549 509 HD13 ILE 80 3HD1 ILE 80 -6.098 6.812 1.460 510 H THR 81 H THR 81 -1.033 8.718 -0.352 511 HA THR 81 HA THR 81 0.786 9.781 1.678 512 HB THR 81 HB THR 81 0.670 10.470 -1.257 513 HG1 THR 81 HG1 THR 81 1.134 8.174 -0.586 514 HG21 THR 81 1HG2 THR 81 2.856 10.819 0.803 515 HG22 THR 81 2HG2 THR 81 1.843 12.108 0.151 516 HG23 THR 81 3HG2 THR 81 2.964 11.248 -0.905 517 H GLY 82 H GLY 82 0.490 11.673 2.647 518 HA2 GLY 82 1HA GLY 82 0.055 13.957 2.758 519 HA3 GLY 82 2HA GLY 82 -0.782 13.853 1.218 520 H SER 83 H SER 83 -2.486 15.085 1.944 521 HA SER 83 HA SER 83 -4.072 14.062 4.170 522 HB2 SER 83 1HB SER 83 -3.494 16.486 4.087 523 HB3 SER 83 2HB SER 83 -4.393 16.621 2.577 524 HG SER 83 HG SER 83 -6.236 16.492 3.636 525 H ALA 84 H ALA 84 -6.082 13.226 3.915 526 HA ALA 84 HA ALA 84 -6.963 12.717 1.163 527 HB1 ALA 84 1HB ALA 84 -8.323 10.930 2.123 528 HB2 ALA 84 2HB ALA 84 -7.810 11.399 3.744 529 HB3 ALA 84 3HB ALA 84 -6.633 10.757 2.598 530 H ASP 85 H ASP 85 -8.743 13.667 0.367 531 HA ASP 85 HA ASP 85 -10.183 15.632 1.826 532 HB2 ASP 85 1HB ASP 85 -10.561 14.303 -0.836 533 HB3 ASP 85 2HB ASP 85 -11.873 15.264 -0.166 534 HA PRO 86 HA PRO 86 -13.349 13.593 4.116 535 HB2 PRO 86 1HB PRO 86 -15.627 14.567 2.726 536 HB3 PRO 86 2HB PRO 86 -14.924 15.213 4.209 537 HG2 PRO 86 1HG PRO 86 -14.580 16.114 1.404 538 HG3 PRO 86 2HG PRO 86 -14.515 17.053 2.906 539 HD2 PRO 86 1HD PRO 86 -12.293 16.464 1.533 540 HD3 PRO 86 2HD PRO 86 -12.301 16.483 3.309 541 H ASP 87 H ASP 87 -14.178 13.756 0.661 542 HA ASP 87 HA ASP 87 -15.682 11.392 0.548 543 HB2 ASP 87 1HB ASP 87 -14.064 12.710 -1.642 544 HB3 ASP 87 2HB ASP 87 -15.335 11.516 -1.884 545 H GLU 88 H GLU 88 -12.269 11.993 -0.199 546 HA GLU 88 HA GLU 88 -11.611 9.379 -0.999 547 HB2 GLU 88 1HB GLU 88 -9.786 11.412 0.298 548 HB3 GLU 88 2HB GLU 88 -9.298 10.059 -0.712 549 HG2 GLU 88 1HG GLU 88 -10.414 11.068 -2.622 550 HG3 GLU 88 2HG GLU 88 -10.936 12.414 -1.614 551 H LYS 89 H LYS 89 -11.474 11.006 2.122 552 HA LYS 89 HA LYS 89 -10.274 8.893 3.562 553 HB2 LYS 89 1HB LYS 89 -10.368 11.256 4.320 554 HB3 LYS 89 2HB LYS 89 -12.095 11.077 4.589 555 HG2 LYS 89 1HG LYS 89 -11.698 9.432 6.310 556 HG3 LYS 89 2HG LYS 89 -9.962 9.479 5.991 557 HD2 LYS 89 1HD LYS 89 -9.914 11.841 6.649 558 HD3 LYS 89 2HD LYS 89 -11.645 11.781 6.983 559 HE2 LYS 89 1HE LYS 89 -11.278 10.128 8.717 560 HE3 LYS 89 2HE LYS 89 -9.554 10.093 8.352 561 HZ1 LYS 89 1HZ LYS 89 -9.377 12.378 9.050 562 HZ2 LYS 89 2HZ LYS 89 -10.073 11.464 10.290 563 HZ3 LYS 89 3HZ LYS 89 -11.042 12.467 9.333 564 H THR 90 H THR 90 -13.635 9.751 2.904 565 HA THR 90 HA THR 90 -14.843 7.791 4.531 566 HB THR 90 HB THR 90 -15.904 8.944 1.936 567 HG1 THR 90 HG1 THR 90 -15.451 10.618 3.390 568 HG21 THR 90 1HG2 THR 90 -17.139 6.971 2.694 569 HG22 THR 90 2HG2 THR 90 -18.110 8.431 2.880 570 HG23 THR 90 3HG2 THR 90 -17.338 7.699 4.287 571 H LYS 91 H LYS 91 -13.799 7.757 1.136 572 HA LYS 91 HA LYS 91 -14.609 5.128 0.552 573 HB2 LYS 91 1HB LYS 91 -12.420 6.848 -0.609 574 HB3 LYS 91 2HB LYS 91 -12.801 5.249 -1.229 575 HG2 LYS 91 1HG LYS 91 -14.659 7.616 -1.146 576 HG3 LYS 91 2HG LYS 91 -13.858 6.957 -2.574 577 HD2 LYS 91 1HD LYS 91 -15.049 4.801 -2.150 578 HD3 LYS 91 2HD LYS 91 -15.950 5.612 -0.869 579 HE2 LYS 91 1HE LYS 91 -17.294 5.613 -2.847 580 HE3 LYS 91 2HE LYS 91 -16.739 7.260 -2.555 581 HZ1 LYS 91 1HZ LYS 91 -15.051 6.971 -4.229 582 HZ2 LYS 91 2HZ LYS 91 -16.563 6.618 -4.891 583 HZ3 LYS 91 3HZ LYS 91 -15.506 5.358 -4.479 584 H ALA 92 H ALA 92 -11.551 6.418 1.796 585 HA ALA 92 HA ALA 92 -10.157 3.957 1.741 586 HB1 ALA 92 1HB ALA 92 -8.501 5.077 3.141 587 HB2 ALA 92 2HB ALA 92 -9.634 6.397 3.439 588 HB3 ALA 92 3HB ALA 92 -9.011 6.121 1.812 589 H LYS 93 H LYS 93 -12.266 5.486 4.054 590 HA LYS 93 HA LYS 93 -11.635 3.855 6.266 591 HB2 LYS 93 1HB LYS 93 -12.811 5.964 6.553 592 HB3 LYS 93 2HB LYS 93 -14.168 5.368 5.608 593 HG2 LYS 93 1HG LYS 93 -14.643 3.700 7.316 594 HG3 LYS 93 2HG LYS 93 -13.264 4.265 8.259 595 HD2 LYS 93 1HD LYS 93 -14.300 6.442 8.526 596 HD3 LYS 93 2HD LYS 93 -15.652 5.947 7.504 597 HE2 LYS 93 1HE LYS 93 -16.219 5.845 9.889 598 HE3 LYS 93 2HE LYS 93 -16.291 4.260 9.125 599 HZ1 LYS 93 1HZ LYS 93 -14.030 5.272 10.762 600 HZ2 LYS 93 2HZ LYS 93 -14.134 3.741 10.053 601 HZ3 LYS 93 3HZ LYS 93 -15.206 4.173 11.284 602 H LYS 94 H LYS 94 -14.323 3.705 3.931 603 HA LYS 94 HA LYS 94 -15.373 1.273 4.953 604 HB2 LYS 94 1HB LYS 94 -15.740 2.548 2.237 605 HB3 LYS 94 2HB LYS 94 -16.690 1.207 2.856 606 HG2 LYS 94 1HG LYS 94 -17.440 2.674 4.715 607 HG3 LYS 94 2HG LYS 94 -16.600 4.014 3.932 608 HD2 LYS 94 1HD LYS 94 -17.984 3.732 1.942 609 HD3 LYS 94 2HD LYS 94 -18.811 2.370 2.701 610 HE2 LYS 94 1HE LYS 94 -18.816 5.224 3.676 611 HE3 LYS 94 2HE LYS 94 -20.143 4.407 2.853 612 HZ1 LYS 94 1HZ LYS 94 -20.517 4.425 5.216 613 HZ2 LYS 94 2HZ LYS 94 -19.021 3.695 5.508 614 HZ3 LYS 94 3HZ LYS 94 -20.239 2.833 4.715 615 H ALA 95 H ALA 95 -13.147 2.054 2.347 616 HA ALA 95 HA ALA 95 -13.005 -0.502 1.198 617 HB1 ALA 95 1HB ALA 95 -10.824 1.572 1.213 618 HB2 ALA 95 2HB ALA 95 -12.233 1.626 0.158 619 HB3 ALA 95 3HB ALA 95 -11.086 0.296 0.025 620 H ALA 96 H ALA 96 -11.008 1.041 3.711 621 HA ALA 96 HA ALA 96 -9.208 -1.123 4.012 622 HB1 ALA 96 1HB ALA 96 -9.967 0.969 6.048 623 HB2 ALA 96 2HB ALA 96 -8.717 1.145 4.816 624 HB3 ALA 96 3HB ALA 96 -8.535 -0.060 6.092 625 H GLU 97 H GLU 97 -12.308 -0.361 5.459 626 HA GLU 97 HA GLU 97 -12.355 -2.262 7.514 627 HB2 GLU 97 1HB GLU 97 -14.030 -0.332 6.757 628 HB3 GLU 97 2HB GLU 97 -14.837 -1.668 5.955 629 HG2 GLU 97 1HG GLU 97 -14.174 -1.670 8.884 630 HG3 GLU 97 2HG GLU 97 -15.691 -1.053 8.236 631 H GLU 98 H GLU 98 -13.351 -2.467 4.123 632 HA GLU 98 HA GLU 98 -14.044 -5.228 4.197 633 HB2 GLU 98 1HB GLU 98 -14.950 -3.758 2.493 634 HB3 GLU 98 2HB GLU 98 -13.340 -3.384 1.905 635 HG2 GLU 98 1HG GLU 98 -14.474 -4.927 0.424 636 HG3 GLU 98 2HG GLU 98 -13.065 -5.685 1.160 637 H ALA 99 H ALA 99 -11.179 -3.438 3.142 638 HA ALA 99 HA ALA 99 -9.747 -5.571 2.054 639 HB1 ALA 99 1HB ALA 99 -8.445 -3.202 3.351 640 HB2 ALA 99 2HB ALA 99 -9.331 -3.073 1.834 641 HB3 ALA 99 3HB ALA 99 -7.918 -4.120 1.939 642 H ARG 100 H ARG 100 -10.176 -4.656 5.378 643 HA ARG 100 HA ARG 100 -7.990 -5.875 6.584 644 HB2 ARG 100 1HB ARG 100 -9.652 -4.533 7.810 645 HB3 ARG 100 2HB ARG 100 -10.846 -5.803 7.582 646 HG2 ARG 100 1HG ARG 100 -9.412 -7.339 8.882 647 HG3 ARG 100 2HG ARG 100 -8.300 -6.001 9.176 648 HD2 ARG 100 1HD ARG 100 -10.093 -4.764 10.294 649 HD3 ARG 100 2HD ARG 100 -11.197 -6.107 10.003 650 HE ARG 100 HE ARG 100 -8.866 -6.950 11.404 651 HH11 ARG 100 1HH1 ARG 100 -11.945 -5.344 11.818 652 HH12 ARG 100 2HH1 ARG 100 -12.082 -5.757 13.499 653 HH21 ARG 100 1HH2 ARG 100 -9.048 -7.517 13.612 654 HH22 ARG 100 2HH2 ARG 100 -10.437 -7.003 14.517 655 H LYS 101 H LYS 101 -10.912 -7.289 5.257 656 HA LYS 101 HA LYS 101 -10.409 -9.908 6.358 657 HB2 LYS 101 1HB LYS 101 -12.397 -8.946 4.298 658 HB3 LYS 101 2HB LYS 101 -12.356 -10.576 4.959 659 HG2 LYS 101 1HG LYS 101 -12.889 -9.777 7.145 660 HG3 LYS 101 2HG LYS 101 -12.721 -8.100 6.628 661 HD2 LYS 101 1HD LYS 101 -14.778 -10.040 5.576 662 HD3 LYS 101 2HD LYS 101 -15.078 -8.819 6.815 663 HE2 LYS 101 1HE LYS 101 -14.388 -7.079 5.183 664 HE3 LYS 101 2HE LYS 101 -14.253 -8.334 3.956 665 HZ1 LYS 101 1HZ LYS 101 -16.725 -7.561 5.402 666 HZ2 LYS 101 2HZ LYS 101 -16.611 -8.822 4.278 667 HZ3 LYS 101 3HZ LYS 101 -16.358 -7.220 3.782 668 H TRP 102 H TRP 102 -9.255 -8.160 3.736 669 HA TRP 102 HA TRP 102 -8.601 -10.564 2.188 670 HB2 TRP 102 1HB TRP 102 -8.303 -7.629 1.493 671 HB3 TRP 102 2HB TRP 102 -7.868 -8.967 0.432 672 HD1 TRP 102 HD1 TRP 102 -10.970 -7.305 2.005 673 HE1 TRP 102 HE1 TRP 102 -13.017 -7.859 0.549 674 HE3 TRP 102 HE3 TRP 102 -8.765 -10.563 -1.258 675 HZ2 TRP 102 HZ2 TRP 102 -13.608 -9.468 -1.699 676 HZ3 TRP 102 HZ3 TRP 102 -10.142 -11.567 -3.029 677 HH2 TRP 102 HH2 TRP 102 -12.513 -11.030 -3.245 678 H ASN 103 H ASN 103 -7.439 -9.281 4.766 679 HA ASN 103 HA ASN 103 -5.450 -9.184 5.843 680 HB2 ASN 103 1HB ASN 103 -5.205 -11.425 4.530 681 HB3 ASN 103 2HB ASN 103 -4.080 -10.520 3.524 682 HD21 ASN 103 1HD2 ASN 103 -2.150 -9.766 4.446 683 HD22 ASN 103 2HD2 ASN 103 -1.530 -10.423 5.921 684 H VAL 104 H VAL 104 -6.221 -6.974 4.441 685 HA VAL 104 HA VAL 104 -3.678 -5.877 3.421 686 HB VAL 104 HB VAL 104 -6.447 -4.833 2.832 687 HG11 VAL 104 1HG1 VAL 104 -5.321 -3.610 1.018 688 HG12 VAL 104 2HG1 VAL 104 -3.772 -4.230 1.591 689 HG13 VAL 104 3HG1 VAL 104 -4.728 -3.162 2.616 690 HG21 VAL 104 1HG2 VAL 104 -6.329 -7.015 1.847 691 HG22 VAL 104 2HG2 VAL 104 -4.749 -6.671 1.155 692 HG23 VAL 104 3HG2 VAL 104 -6.171 -5.814 0.567 693 H ARG 105 H ARG 105 -2.875 -4.085 4.458 694 HA ARG 105 HA ARG 105 -4.700 -2.713 6.317 695 HB2 ARG 105 1HB ARG 105 -2.951 -2.389 7.922 696 HB3 ARG 105 2HB ARG 105 -3.041 -4.101 7.549 697 HG2 ARG 105 1HG ARG 105 -1.070 -3.939 6.161 698 HG3 ARG 105 2HG ARG 105 -1.011 -2.191 6.407 699 HD2 ARG 105 1HD ARG 105 -0.840 -2.670 8.879 700 HD3 ARG 105 2HD ARG 105 -0.603 -4.363 8.453 701 HE ARG 105 HE ARG 105 1.339 -3.333 7.049 702 HH11 ARG 105 1HH1 ARG 105 0.290 -2.385 10.247 703 HH12 ARG 105 2HH1 ARG 105 1.858 -1.848 10.748 704 HH21 ARG 105 1HH2 ARG 105 3.431 -2.599 7.714 705 HH22 ARG 105 2HH2 ARG 105 3.643 -1.958 9.320 706 H VAL 106 H VAL 106 -4.698 -0.530 6.286 707 HA VAL 106 HA VAL 106 -3.108 0.709 4.140 708 HB VAL 106 HB VAL 106 -5.696 1.736 5.318 709 HG11 VAL 106 1HG1 VAL 106 -4.311 3.443 4.272 710 HG12 VAL 106 2HG1 VAL 106 -5.766 3.142 3.323 711 HG13 VAL 106 3HG1 VAL 106 -4.218 2.479 2.798 712 HG21 VAL 106 1HG2 VAL 106 -5.282 0.144 2.791 713 HG22 VAL 106 2HG2 VAL 106 -6.796 0.889 3.302 714 HG23 VAL 106 3HG2 VAL 106 -6.090 -0.418 4.252 715 H ARG 107 H ARG 107 -1.692 2.262 4.647 716 HA ARG 107 HA ARG 107 -1.987 3.619 7.242 717 HB2 ARG 107 1HB ARG 107 0.605 2.655 6.023 718 HB3 ARG 107 2HB ARG 107 0.470 3.634 7.477 719 HG2 ARG 107 1HG ARG 107 -1.011 1.692 8.346 720 HG3 ARG 107 2HG ARG 107 -0.239 0.763 7.058 721 HD2 ARG 107 1HD ARG 107 0.988 0.480 9.126 722 HD3 ARG 107 2HD ARG 107 1.964 1.384 7.968 723 HE ARG 107 HE ARG 107 0.707 3.321 9.395 724 HH11 ARG 107 1HH1 ARG 107 2.742 0.605 10.251 725 HH12 ARG 107 2HH1 ARG 107 3.323 1.344 11.704 726 HH21 ARG 107 1HH2 ARG 107 1.463 4.294 11.289 727 HH22 ARG 107 2HH2 ARG 107 2.591 3.447 12.302 728 H THR 108 H THR 108 -1.197 5.757 7.331 729 HA THR 108 HA THR 108 -1.202 7.073 4.720 730 HB THR 108 HB THR 108 -1.420 8.326 7.466 731 HG1 THR 108 HG1 THR 108 -3.156 6.755 6.414 732 HG21 THR 108 1HG2 THR 108 -0.723 9.876 5.694 733 HG22 THR 108 2HG2 THR 108 -2.357 10.235 6.249 734 HG23 THR 108 3HG2 THR 108 -2.112 9.390 4.721 735 H VAL 109 H VAL 109 0.495 8.213 3.950 736 HA VAL 109 HA VAL 109 2.872 8.491 5.670 737 HB VAL 109 HB VAL 109 4.301 8.136 3.684 738 HG11 VAL 109 1HG1 VAL 109 3.907 6.278 5.174 739 HG12 VAL 109 2HG1 VAL 109 3.989 5.703 3.508 740 HG13 VAL 109 3HG1 VAL 109 2.426 5.865 4.310 741 HG21 VAL 109 1HG2 VAL 109 2.733 8.755 1.935 742 HG22 VAL 109 2HG2 VAL 109 1.728 7.357 2.315 743 HG23 VAL 109 3HG2 VAL 109 3.348 7.126 1.659 744 H THR 110 H THR 110 4.099 10.350 5.366 745 HA THR 110 HA THR 110 2.897 12.392 3.619 746 HB THR 110 HB THR 110 3.960 14.016 5.326 747 HG1 THR 110 HG1 THR 110 4.430 13.179 7.307 748 HG21 THR 110 1HG2 THR 110 1.547 13.738 5.071 749 HG22 THR 110 2HG2 THR 110 1.972 13.897 6.776 750 HG23 THR 110 3HG2 THR 110 1.590 12.311 6.107 751 H SER 111 H SER 111 5.876 11.191 5.077 752 HA SER 111 HA SER 111 7.366 12.362 2.827 753 HB2 SER 111 1HB SER 111 8.338 11.809 5.646 754 HB3 SER 111 2HB SER 111 9.321 12.454 4.334 755 HG SER 111 HG SER 111 7.763 13.777 6.032 756 HA PRO 112 HA PRO 112 8.657 8.313 1.627 757 HB2 PRO 112 1HB PRO 112 11.454 9.256 1.493 758 HB3 PRO 112 2HB PRO 112 10.432 8.590 0.220 759 HG2 PRO 112 1HG PRO 112 11.037 11.194 0.290 760 HG3 PRO 112 2HG PRO 112 9.442 10.627 -0.237 761 HD2 PRO 112 1HD PRO 112 10.262 11.816 2.384 762 HD3 PRO 112 2HD PRO 112 8.779 12.076 1.441 763 H ASP 113 H ASP 113 10.228 9.892 4.272 764 HA ASP 113 HA ASP 113 11.761 7.725 5.241 765 HB2 ASP 113 1HB ASP 113 10.544 10.084 6.692 766 HB3 ASP 113 2HB ASP 113 11.684 8.955 7.420 767 H GLU 114 H GLU 114 8.471 8.837 5.939 768 HA GLU 114 HA GLU 114 7.838 6.807 7.799 769 HB2 GLU 114 1HB GLU 114 6.185 8.640 6.083 770 HB3 GLU 114 2HB GLU 114 5.421 7.382 7.042 771 HG2 GLU 114 1HG GLU 114 5.405 9.555 8.162 772 HG3 GLU 114 2HG GLU 114 6.299 8.341 9.075 773 H ALA 115 H ALA 115 7.264 7.104 4.311 774 HA ALA 115 HA ALA 115 5.871 4.722 3.922 775 HB1 ALA 115 1HB ALA 115 6.549 4.884 1.584 776 HB2 ALA 115 2HB ALA 115 7.775 6.077 2.015 777 HB3 ALA 115 3HB ALA 115 6.064 6.458 2.213 778 H LYS 116 H LYS 116 9.359 5.344 3.630 779 HA LYS 116 HA LYS 116 10.194 2.754 3.048 780 HB2 LYS 116 1HB LYS 116 11.659 4.704 2.887 781 HB3 LYS 116 2HB LYS 116 11.609 4.911 4.631 782 HG2 LYS 116 1HG LYS 116 12.722 2.734 4.897 783 HG3 LYS 116 2HG LYS 116 12.816 2.589 3.141 784 HD2 LYS 116 1HD LYS 116 14.072 4.773 4.798 785 HD3 LYS 116 2HD LYS 116 14.922 3.393 4.105 786 HE2 LYS 116 1HE LYS 116 14.284 4.155 1.856 787 HE3 LYS 116 2HE LYS 116 13.482 5.554 2.572 788 HZ1 LYS 116 1HZ LYS 116 15.648 6.181 1.818 789 HZ2 LYS 116 2HZ LYS 116 16.378 4.924 2.692 790 HZ3 LYS 116 3HZ LYS 116 15.643 6.207 3.513 791 H ARG 117 H ARG 117 9.557 4.315 6.135 792 HA ARG 117 HA ARG 117 10.560 2.277 7.802 793 HB2 ARG 117 1HB ARG 117 10.105 4.594 8.532 794 HB3 ARG 117 2HB ARG 117 8.382 4.291 8.369 795 HG2 ARG 117 1HG ARG 117 8.629 2.474 10.068 796 HG3 ARG 117 2HG ARG 117 10.287 3.027 10.320 797 HD2 ARG 117 1HD ARG 117 7.758 4.604 10.738 798 HD3 ARG 117 2HD ARG 117 8.866 4.027 11.978 799 HE ARG 117 HE ARG 117 10.541 5.552 10.817 800 HH11 ARG 117 1HH1 ARG 117 7.108 6.199 11.031 801 HH12 ARG 117 2HH1 ARG 117 7.284 7.909 10.813 802 HH21 ARG 117 1HH2 ARG 117 10.772 7.821 10.525 803 HH22 ARG 117 2HH2 ARG 117 9.354 8.826 10.478 804 H TRP 118 H TRP 118 7.245 2.995 6.695 805 HA TRP 118 HA TRP 118 6.024 0.900 8.133 806 HB2 TRP 118 1HB TRP 118 5.048 2.158 5.562 807 HB3 TRP 118 2HB TRP 118 4.079 1.231 6.694 808 HD1 TRP 118 HD1 TRP 118 3.506 4.261 5.762 809 HE1 TRP 118 HE1 TRP 118 3.230 6.081 7.554 810 HE3 TRP 118 HE3 TRP 118 5.909 1.957 9.659 811 HZ2 TRP 118 HZ2 TRP 118 3.931 6.492 10.240 812 HZ3 TRP 118 HZ3 TRP 118 6.053 3.142 11.804 813 HH2 TRP 118 HH2 TRP 118 5.082 5.362 12.087 814 H ILE 119 H ILE 119 7.470 1.063 4.938 815 HA ILE 119 HA ILE 119 6.634 -1.541 4.122 816 HB ILE 119 HB ILE 119 8.901 0.187 3.107 817 HG12 ILE 119 1HG1 ILE 119 6.131 -0.306 1.991 818 HG13 ILE 119 2HG1 ILE 119 6.632 1.146 2.851 819 HG21 ILE 119 1HG2 ILE 119 8.883 -1.248 1.120 820 HG22 ILE 119 2HG2 ILE 119 7.683 -2.289 1.886 821 HG23 ILE 119 3HG2 ILE 119 9.302 -2.157 2.572 822 HD11 ILE 119 1HD1 ILE 119 6.605 1.501 0.452 823 HD12 ILE 119 2HD1 ILE 119 7.746 0.176 0.230 824 HD13 ILE 119 3HD1 ILE 119 8.243 1.633 1.089 825 H LYS 120 H LYS 120 9.421 -0.242 5.815 826 HA LYS 120 HA LYS 120 11.074 -2.513 5.680 827 HB2 LYS 120 1HB LYS 120 11.844 -0.264 6.365 828 HB3 LYS 120 2HB LYS 120 10.930 -0.421 7.858 829 HG2 LYS 120 1HG LYS 120 12.321 -2.295 8.536 830 HG3 LYS 120 2HG LYS 120 13.218 -2.189 7.020 831 HD2 LYS 120 1HD LYS 120 13.978 0.047 7.608 832 HD3 LYS 120 2HD LYS 120 13.044 -0.013 9.102 833 HE2 LYS 120 1HE LYS 120 15.293 -1.892 8.389 834 HE3 LYS 120 2HE LYS 120 15.451 -0.481 9.432 835 HZ1 LYS 120 1HZ LYS 120 13.734 -2.856 9.942 836 HZ2 LYS 120 2HZ LYS 120 13.819 -1.481 10.930 837 HZ3 LYS 120 3HZ LYS 120 15.177 -2.467 10.743 838 H GLU 121 H GLU 121 8.859 -1.440 8.273 839 HA GLU 121 HA GLU 121 9.218 -3.734 9.881 840 HB2 GLU 121 1HB GLU 121 7.101 -3.023 10.998 841 HB3 GLU 121 2HB GLU 121 8.304 -1.748 10.876 842 HG2 GLU 121 1HG GLU 121 7.120 -0.687 9.115 843 HG3 GLU 121 2HG GLU 121 6.031 -2.060 8.935 844 H PHE 122 H PHE 122 7.047 -3.010 7.243 845 HA PHE 122 HA PHE 122 5.342 -5.269 7.647 846 HB2 PHE 122 1HB PHE 122 4.614 -3.190 6.517 847 HB3 PHE 122 2HB PHE 122 5.726 -3.534 5.199 848 HD1 PHE 122 HD1 PHE 122 2.731 -4.805 6.958 849 HD2 PHE 122 HD2 PHE 122 5.088 -4.899 3.416 850 HE1 PHE 122 HE1 PHE 122 0.965 -6.084 5.822 851 HE2 PHE 122 HE2 PHE 122 3.325 -6.177 2.274 852 HZ PHE 122 HZ PHE 122 1.261 -6.769 3.478 853 H SER 123 H SER 123 8.356 -4.731 6.073 854 HA SER 123 HA SER 123 8.224 -6.571 3.984 855 HB2 SER 123 1HB SER 123 9.957 -4.844 4.162 856 HB3 SER 123 2HB SER 123 10.645 -5.666 5.560 857 HG SER 123 HG SER 123 10.377 -7.328 3.424 858 H GLU 124 H GLU 124 10.172 -7.102 6.946 859 HA GLU 124 HA GLU 124 9.189 -9.843 7.086 860 HB2 GLU 124 1HB GLU 124 12.126 -9.208 6.708 861 HB3 GLU 124 2HB GLU 124 11.472 -10.796 7.081 862 HG2 GLU 124 1HG GLU 124 10.226 -10.742 4.951 863 HG3 GLU 124 2HG GLU 124 10.992 -9.201 4.575 864 H GLU 125 H GLU 125 9.498 -7.201 8.700 865 HA GLU 125 HA GLU 125 10.756 -8.412 11.069 866 HB2 GLU 125 1HB GLU 125 10.519 -5.468 10.430 867 HB3 GLU 125 2HB GLU 125 11.367 -6.179 11.797 868 HG2 GLU 125 1HG GLU 125 12.941 -7.247 10.261 869 HG3 GLU 125 2HG GLU 125 12.095 -6.520 8.895 Start of MODEL 2 1 HA MET 21 HA MET 21 5.505 -14.960 1.701 2 HB2 MET 21 1HB MET 21 6.951 -14.407 3.584 3 HB3 MET 21 2HB MET 21 7.838 -13.254 2.595 4 HG2 MET 21 1HG MET 21 5.714 -11.967 2.333 5 HG3 MET 21 2HG MET 21 4.982 -13.056 3.510 6 HE1 MET 21 1HE MET 21 5.018 -9.901 3.818 7 HE2 MET 21 2HE MET 21 5.447 -9.716 5.517 8 HE3 MET 21 3HE MET 21 4.303 -10.965 5.028 9 H ARG 22 H ARG 22 4.303 -13.969 0.222 10 HA ARG 22 HA ARG 22 5.585 -12.045 -1.569 11 HB2 ARG 22 1HB ARG 22 4.314 -13.821 -2.670 12 HB3 ARG 22 2HB ARG 22 2.876 -13.370 -1.763 13 HG2 ARG 22 1HG ARG 22 2.895 -11.170 -2.847 14 HG3 ARG 22 2HG ARG 22 4.313 -11.654 -3.778 15 HD2 ARG 22 1HD ARG 22 3.064 -13.369 -4.897 16 HD3 ARG 22 2HD ARG 22 1.666 -13.089 -3.857 17 HE ARG 22 HE ARG 22 2.568 -10.821 -5.431 18 HH11 ARG 22 1HH1 ARG 22 0.423 -13.577 -5.262 19 HH12 ARG 22 2HH1 ARG 22 -0.780 -12.864 -6.294 20 HH21 ARG 22 1HH2 ARG 22 1.002 -9.875 -6.799 21 HH22 ARG 22 2HH2 ARG 22 -0.448 -10.773 -7.176 22 H LEU 23 H LEU 23 5.583 -10.069 -0.756 23 HA LEU 23 HA LEU 23 3.157 -9.104 0.592 24 HB2 LEU 23 1HB LEU 23 5.561 -8.955 1.612 25 HB3 LEU 23 2HB LEU 23 5.754 -7.613 0.503 26 HG LEU 23 HG LEU 23 3.526 -7.712 2.530 27 HD11 LEU 23 1HD1 LEU 23 5.659 -7.859 3.700 28 HD12 LEU 23 2HD1 LEU 23 4.914 -6.279 3.936 29 HD13 LEU 23 3HD1 LEU 23 6.253 -6.461 2.806 30 HD21 LEU 23 1HD2 LEU 23 4.806 -5.430 1.028 31 HD22 LEU 23 2HD2 LEU 23 3.482 -5.302 2.183 32 HD23 LEU 23 3HD2 LEU 23 3.241 -6.151 0.657 33 H VAL 24 H VAL 24 1.913 -7.675 -0.392 34 HA VAL 24 HA VAL 24 2.811 -6.627 -2.991 35 HB VAL 24 HB VAL 24 -0.011 -6.962 -1.956 36 HG11 VAL 24 1HG1 VAL 24 -0.705 -6.480 -4.220 37 HG12 VAL 24 2HG1 VAL 24 0.973 -6.354 -4.744 38 HG13 VAL 24 3HG1 VAL 24 0.307 -5.163 -3.628 39 HG21 VAL 24 1HG2 VAL 24 1.530 -8.655 -3.926 40 HG22 VAL 24 2HG2 VAL 24 -0.168 -8.856 -3.496 41 HG23 VAL 24 3HG2 VAL 24 1.085 -9.123 -2.286 42 H VAL 25 H VAL 25 3.077 -4.489 -3.206 43 HA VAL 25 HA VAL 25 2.021 -2.768 -1.060 44 HB VAL 25 HB VAL 25 4.455 -2.241 -2.774 45 HG11 VAL 25 1HG1 VAL 25 3.386 -0.224 -1.954 46 HG12 VAL 25 2HG1 VAL 25 4.922 -0.485 -1.128 47 HG13 VAL 25 3HG1 VAL 25 3.406 -0.860 -0.310 48 HG21 VAL 25 1HG2 VAL 25 4.313 -3.234 0.072 49 HG22 VAL 25 2HG2 VAL 25 5.783 -2.758 -0.780 50 HG23 VAL 25 3HG2 VAL 25 4.861 -4.160 -1.327 51 H LEU 26 H LEU 26 0.408 -1.517 -1.700 52 HA LEU 26 HA LEU 26 0.380 -0.537 -4.475 53 HB2 LEU 26 1HB LEU 26 -1.792 -0.930 -2.443 54 HB3 LEU 26 2HB LEU 26 -2.003 0.242 -3.724 55 HG LEU 26 HG LEU 26 -3.095 -1.680 -4.484 56 HD11 LEU 26 1HD1 LEU 26 -1.616 -0.676 -6.160 57 HD12 LEU 26 2HD1 LEU 26 -1.856 -2.404 -6.420 58 HD13 LEU 26 3HD1 LEU 26 -0.354 -1.821 -5.706 59 HD21 LEU 26 1HD2 LEU 26 -2.161 -3.914 -4.483 60 HD22 LEU 26 2HD2 LEU 26 -2.223 -3.258 -2.845 61 HD23 LEU 26 3HD2 LEU 26 -0.688 -3.314 -3.714 62 H ILE 27 H ILE 27 1.322 1.366 -4.667 63 HA ILE 27 HA ILE 27 1.140 3.230 -2.394 64 HB ILE 27 HB ILE 27 3.423 2.450 -2.899 65 HG12 ILE 27 1HG1 ILE 27 2.750 4.933 -2.219 66 HG13 ILE 27 2HG1 ILE 27 4.422 4.466 -2.495 67 HG21 ILE 27 1HG2 ILE 27 4.547 3.147 -4.967 68 HG22 ILE 27 2HG2 ILE 27 3.005 3.740 -5.585 69 HG23 ILE 27 3HG2 ILE 27 3.220 2.019 -5.256 70 HD11 ILE 27 1HD1 ILE 27 2.625 5.847 -4.477 71 HD12 ILE 27 2HD1 ILE 27 4.307 5.390 -4.749 72 HD13 ILE 27 3HD1 ILE 27 3.908 6.599 -3.529 73 H VAL 28 H VAL 28 0.418 5.285 -2.731 74 HA VAL 28 HA VAL 28 -1.051 5.702 -5.203 75 HB VAL 28 HB VAL 28 -0.962 7.348 -2.664 76 HG11 VAL 28 1HG1 VAL 28 -2.826 7.543 -5.026 77 HG12 VAL 28 2HG1 VAL 28 -1.572 8.706 -4.599 78 HG13 VAL 28 3HG1 VAL 28 -2.955 8.467 -3.531 79 HG21 VAL 28 1HG2 VAL 28 -3.002 5.367 -3.672 80 HG22 VAL 28 2HG2 VAL 28 -3.199 6.394 -2.252 81 HG23 VAL 28 3HG2 VAL 28 -1.936 5.162 -2.282 82 H SER 29 H SER 29 -0.505 7.093 -6.756 83 HA SER 29 HA SER 29 2.158 7.860 -6.999 84 HB2 SER 29 1HB SER 29 1.074 9.337 -8.904 85 HB3 SER 29 2HB SER 29 1.177 7.582 -9.042 86 HG SER 29 HG SER 29 -0.933 7.401 -8.709 87 H ASN 30 H ASN 30 3.105 9.913 -7.244 88 HA ASN 30 HA ASN 30 2.127 12.339 -6.300 89 HB2 ASN 30 1HB ASN 30 2.809 12.430 -4.022 90 HB3 ASN 30 2HB ASN 30 1.905 10.926 -4.170 91 HD21 ASN 30 1HD2 ASN 30 3.133 8.942 -4.373 92 HD22 ASN 30 2HD2 ASN 30 4.700 8.841 -3.651 93 H ASP 31 H ASP 31 4.341 13.472 -5.173 94 HA ASP 31 HA ASP 31 6.181 13.890 -7.137 95 HB2 ASP 31 1HB ASP 31 6.139 15.205 -5.079 96 HB3 ASP 31 2HB ASP 31 6.731 13.821 -4.161 97 H LYS 32 H LYS 32 7.916 12.952 -7.950 98 HA LYS 32 HA LYS 32 8.073 10.211 -8.039 99 HB2 LYS 32 1HB LYS 32 10.078 10.465 -9.353 100 HB3 LYS 32 2HB LYS 32 8.924 11.714 -9.787 101 HG2 LYS 32 1HG LYS 32 11.246 12.158 -7.920 102 HG3 LYS 32 2HG LYS 32 11.304 12.463 -9.655 103 HD2 LYS 32 1HD LYS 32 9.484 14.088 -9.424 104 HD3 LYS 32 2HD LYS 32 9.432 13.781 -7.687 105 HE2 LYS 32 1HE LYS 32 11.819 14.509 -7.571 106 HE3 LYS 32 2HE LYS 32 11.699 14.983 -9.265 107 HZ1 LYS 32 1HZ LYS 32 11.341 16.816 -7.648 108 HZ2 LYS 32 2HZ LYS 32 9.924 16.041 -7.132 109 HZ3 LYS 32 3HZ LYS 32 10.058 16.594 -8.727 110 H LYS 33 H LYS 33 9.671 12.299 -5.737 111 HA LYS 33 HA LYS 33 11.858 10.638 -5.105 112 HB2 LYS 33 1HB LYS 33 11.742 12.971 -4.368 113 HB3 LYS 33 2HB LYS 33 10.375 12.591 -3.332 114 HG2 LYS 33 1HG LYS 33 11.824 11.063 -2.040 115 HG3 LYS 33 2HG LYS 33 13.188 11.561 -3.038 116 HD2 LYS 33 1HD LYS 33 11.526 13.428 -1.351 117 HD3 LYS 33 2HD LYS 33 13.067 12.732 -0.852 118 HE2 LYS 33 1HE LYS 33 12.600 14.557 -3.206 119 HE3 LYS 33 2HE LYS 33 13.382 14.989 -1.688 120 HZ1 LYS 33 1HZ LYS 33 14.384 13.056 -3.707 121 HZ2 LYS 33 2HZ LYS 33 15.107 13.327 -2.204 122 HZ3 LYS 33 3HZ LYS 33 15.038 14.571 -3.342 123 H LEU 34 H LEU 34 8.601 10.831 -3.756 124 HA LEU 34 HA LEU 34 9.067 8.987 -1.651 125 HB2 LEU 34 1HB LEU 34 7.287 10.755 -1.740 126 HB3 LEU 34 2HB LEU 34 6.438 9.773 -2.911 127 HG LEU 34 HG LEU 34 5.641 9.709 -0.478 128 HD11 LEU 34 1HD1 LEU 34 5.125 7.308 -0.585 129 HD12 LEU 34 2HD1 LEU 34 6.269 7.140 -1.918 130 HD13 LEU 34 3HD1 LEU 34 4.827 8.137 -2.112 131 HD21 LEU 34 1HD2 LEU 34 6.777 8.216 1.013 132 HD22 LEU 34 2HD2 LEU 34 7.890 9.483 0.491 133 HD23 LEU 34 3HD2 LEU 34 8.000 7.867 -0.208 134 H ILE 35 H ILE 35 7.713 8.710 -4.899 135 HA ILE 35 HA ILE 35 6.803 6.055 -4.690 136 HB ILE 35 HB ILE 35 7.767 7.452 -7.192 137 HG12 ILE 35 1HG1 ILE 35 4.997 7.310 -5.977 138 HG13 ILE 35 2HG1 ILE 35 6.019 8.743 -6.038 139 HG21 ILE 35 1HG2 ILE 35 5.954 5.076 -6.795 140 HG22 ILE 35 2HG2 ILE 35 7.573 5.061 -7.496 141 HG23 ILE 35 3HG2 ILE 35 6.253 5.876 -8.336 142 HD11 ILE 35 1HD1 ILE 35 5.904 8.732 -8.467 143 HD12 ILE 35 2HD1 ILE 35 4.293 8.793 -7.752 144 HD13 ILE 35 3HD1 ILE 35 4.904 7.280 -8.419 145 H GLU 36 H GLU 36 9.859 7.375 -5.940 146 HA GLU 36 HA GLU 36 10.997 4.914 -6.667 147 HB2 GLU 36 1HB GLU 36 12.282 7.528 -5.892 148 HB3 GLU 36 2HB GLU 36 13.177 6.152 -6.521 149 HG2 GLU 36 1HG GLU 36 10.904 7.450 -7.995 150 HG3 GLU 36 2HG GLU 36 12.591 7.912 -8.203 151 H GLU 37 H GLU 37 11.171 6.749 -3.635 152 HA GLU 37 HA GLU 37 13.110 5.121 -2.414 153 HB2 GLU 37 1HB GLU 37 12.384 7.399 -1.632 154 HB3 GLU 37 2HB GLU 37 10.925 6.654 -0.999 155 HG2 GLU 37 1HG GLU 37 12.501 6.958 0.782 156 HG3 GLU 37 2HG GLU 37 12.314 5.236 0.459 157 H ALA 38 H ALA 38 9.568 5.014 -2.363 158 HA ALA 38 HA ALA 38 9.335 2.766 -0.659 159 HB1 ALA 38 1HB ALA 38 7.421 3.751 -2.777 160 HB2 ALA 38 2HB ALA 38 7.469 4.292 -1.098 161 HB3 ALA 38 3HB ALA 38 7.037 2.625 -1.476 162 H ARG 39 H ARG 39 9.497 3.140 -4.160 163 HA ARG 39 HA ARG 39 9.152 0.461 -4.900 164 HB2 ARG 39 1HB ARG 39 9.002 2.218 -6.527 165 HB3 ARG 39 2HB ARG 39 10.648 2.733 -6.201 166 HG2 ARG 39 1HG ARG 39 11.540 0.774 -7.233 167 HG3 ARG 39 2HG ARG 39 9.930 0.065 -7.385 168 HD2 ARG 39 1HD ARG 39 10.730 2.663 -8.678 169 HD3 ARG 39 2HD ARG 39 10.853 1.100 -9.485 170 HE ARG 39 HE ARG 39 8.386 0.922 -9.070 171 HH11 ARG 39 1HH1 ARG 39 9.925 4.085 -9.317 172 HH12 ARG 39 2HH1 ARG 39 8.487 4.849 -9.927 173 HH21 ARG 39 1HH2 ARG 39 6.522 1.962 -9.853 174 HH22 ARG 39 2HH2 ARG 39 6.571 3.657 -10.221 175 H LYS 40 H LYS 40 12.058 2.288 -4.071 176 HA LYS 40 HA LYS 40 13.970 0.299 -4.530 177 HB2 LYS 40 1HB LYS 40 13.894 2.584 -2.564 178 HB3 LYS 40 2HB LYS 40 15.297 1.548 -2.765 179 HG2 LYS 40 1HG LYS 40 15.632 2.270 -4.992 180 HG3 LYS 40 2HG LYS 40 14.063 3.072 -5.037 181 HD2 LYS 40 1HD LYS 40 15.830 4.712 -4.802 182 HD3 LYS 40 2HD LYS 40 14.853 4.668 -3.337 183 HE2 LYS 40 1HE LYS 40 17.377 3.067 -3.561 184 HE3 LYS 40 2HE LYS 40 17.426 4.772 -3.130 185 HZ1 LYS 40 1HZ LYS 40 16.097 2.581 -1.641 186 HZ2 LYS 40 2HZ LYS 40 15.861 4.217 -1.282 187 HZ3 LYS 40 3HZ LYS 40 17.402 3.529 -1.137 188 H MET 41 H MET 41 12.147 1.085 -1.585 189 HA MET 41 HA MET 41 13.322 -0.893 0.037 190 HB2 MET 41 1HB MET 41 10.677 0.538 0.208 191 HB3 MET 41 2HB MET 41 11.201 -0.624 1.419 192 HG2 MET 41 1HG MET 41 12.645 1.903 0.660 193 HG3 MET 41 2HG MET 41 11.662 1.661 2.102 194 HE1 MET 41 1HE MET 41 12.302 0.035 4.081 195 HE2 MET 41 2HE MET 41 13.751 -0.971 4.105 196 HE3 MET 41 3HE MET 41 12.454 -1.319 2.963 197 H ALA 42 H ALA 42 10.534 -0.937 -2.096 198 HA ALA 42 HA ALA 42 9.516 -3.445 -1.364 199 HB1 ALA 42 1HB ALA 42 8.237 -1.893 -2.713 200 HB2 ALA 42 2HB ALA 42 8.407 -3.433 -3.557 201 HB3 ALA 42 3HB ALA 42 9.394 -2.052 -4.033 202 H GLU 43 H GLU 43 11.749 -2.598 -4.035 203 HA GLU 43 HA GLU 43 12.129 -5.340 -4.743 204 HB2 GLU 43 1HB GLU 43 13.907 -4.501 -6.233 205 HB3 GLU 43 2HB GLU 43 12.392 -3.635 -6.432 206 HG2 GLU 43 1HG GLU 43 13.273 -1.805 -5.059 207 HG3 GLU 43 2HG GLU 43 14.801 -2.674 -4.910 208 H LYS 44 H LYS 44 13.537 -3.267 -2.408 209 HA LYS 44 HA LYS 44 16.012 -4.577 -2.032 210 HB2 LYS 44 1HB LYS 44 15.515 -2.366 -1.085 211 HB3 LYS 44 2HB LYS 44 14.295 -3.080 -0.041 212 HG2 LYS 44 1HG LYS 44 16.096 -4.442 1.010 213 HG3 LYS 44 2HG LYS 44 17.268 -3.524 0.063 214 HD2 LYS 44 1HD LYS 44 16.515 -1.460 1.114 215 HD3 LYS 44 2HD LYS 44 15.303 -2.355 2.033 216 HE2 LYS 44 1HE LYS 44 18.296 -2.660 2.232 217 HE3 LYS 44 2HE LYS 44 17.242 -1.891 3.417 218 HZ1 LYS 44 1HZ LYS 44 16.132 -4.043 3.721 219 HZ2 LYS 44 2HZ LYS 44 17.775 -4.118 4.109 220 HZ3 LYS 44 3HZ LYS 44 17.225 -4.762 2.648 221 H ALA 45 H ALA 45 12.793 -5.077 -0.678 222 HA ALA 45 HA ALA 45 13.767 -7.432 0.771 223 HB1 ALA 45 1HB ALA 45 11.597 -7.360 1.937 224 HB2 ALA 45 2HB ALA 45 11.149 -5.950 0.977 225 HB3 ALA 45 3HB ALA 45 12.503 -5.856 2.102 226 H ASN 46 H ASN 46 12.872 -6.893 -2.200 227 HA ASN 46 HA ASN 46 12.041 -8.096 -3.921 228 HB2 ASN 46 1HB ASN 46 12.280 -10.338 -1.913 229 HB3 ASN 46 2HB ASN 46 11.830 -10.590 -3.596 230 HD21 ASN 46 1HD2 ASN 46 14.381 -9.758 -1.406 231 HD22 ASN 46 2HD2 ASN 46 15.674 -9.862 -2.549 232 H LEU 47 H LEU 47 10.199 -6.597 -2.750 233 HA LEU 47 HA LEU 47 7.797 -8.268 -2.437 234 HB2 LEU 47 1HB LEU 47 7.983 -5.314 -1.892 235 HB3 LEU 47 2HB LEU 47 6.784 -6.450 -1.307 236 HG LEU 47 HG LEU 47 9.660 -6.258 -0.414 237 HD11 LEU 47 1HD1 LEU 47 8.676 -5.626 1.736 238 HD12 LEU 47 2HD1 LEU 47 7.071 -5.671 1.007 239 HD13 LEU 47 3HD1 LEU 47 8.256 -4.486 0.458 240 HD21 LEU 47 1HD2 LEU 47 7.500 -8.175 0.452 241 HD22 LEU 47 2HD2 LEU 47 9.061 -7.978 1.242 242 HD23 LEU 47 3HD2 LEU 47 8.979 -8.580 -0.413 243 H GLU 48 H GLU 48 5.816 -7.479 -3.498 244 HA GLU 48 HA GLU 48 6.453 -6.467 -6.177 245 HB2 GLU 48 1HB GLU 48 5.268 -8.612 -6.046 246 HB3 GLU 48 2HB GLU 48 3.975 -7.852 -5.132 247 HG2 GLU 48 1HG GLU 48 3.383 -6.487 -7.034 248 HG3 GLU 48 2HG GLU 48 4.738 -7.139 -7.954 249 H LEU 49 H LEU 49 6.168 -4.354 -6.495 250 HA LEU 49 HA LEU 49 4.098 -2.981 -4.918 251 HB2 LEU 49 1HB LEU 49 6.410 -2.375 -4.312 252 HB3 LEU 49 2HB LEU 49 6.706 -1.878 -5.965 253 HG LEU 49 HG LEU 49 4.457 -0.545 -4.544 254 HD11 LEU 49 1HD1 LEU 49 5.986 1.032 -3.470 255 HD12 LEU 49 2HD1 LEU 49 7.358 0.050 -3.979 256 HD13 LEU 49 3HD1 LEU 49 6.189 -0.599 -2.832 257 HD21 LEU 49 1HD2 LEU 49 5.269 1.384 -5.791 258 HD22 LEU 49 2HD2 LEU 49 5.020 0.010 -6.868 259 HD23 LEU 49 3HD2 LEU 49 6.651 0.451 -6.363 260 H ILE 50 H ILE 50 2.707 -1.646 -5.906 261 HA ILE 50 HA ILE 50 3.034 -1.128 -8.790 262 HB ILE 50 HB ILE 50 0.459 -1.883 -7.391 263 HG12 ILE 50 1HG1 ILE 50 1.957 -3.321 -9.586 264 HG13 ILE 50 2HG1 ILE 50 1.982 -3.784 -7.887 265 HG21 ILE 50 1HG2 ILE 50 -0.584 -1.715 -9.601 266 HG22 ILE 50 2HG2 ILE 50 0.936 -1.113 -10.263 267 HG23 ILE 50 3HG2 ILE 50 0.065 -0.168 -9.055 268 HD11 ILE 50 1HD1 ILE 50 -0.433 -4.180 -7.976 269 HD12 ILE 50 2HD1 ILE 50 0.450 -5.176 -9.134 270 HD13 ILE 50 3HD1 ILE 50 -0.429 -3.750 -9.687 271 H THR 51 H THR 51 2.777 0.971 -9.320 272 HA THR 51 HA THR 51 1.933 2.833 -7.239 273 HB THR 51 HB THR 51 3.047 3.460 -9.982 274 HG1 THR 51 HG1 THR 51 4.464 2.231 -8.502 275 HG21 THR 51 1HG2 THR 51 2.838 5.143 -7.480 276 HG22 THR 51 2HG2 THR 51 1.821 5.306 -8.911 277 HG23 THR 51 3HG2 THR 51 3.548 5.646 -9.013 278 H VAL 52 H VAL 52 -0.161 3.259 -7.126 279 HA VAL 52 HA VAL 52 -1.885 2.753 -9.421 280 HB VAL 52 HB VAL 52 -3.718 2.852 -7.894 281 HG11 VAL 52 1HG1 VAL 52 -1.390 1.528 -6.521 282 HG12 VAL 52 2HG1 VAL 52 -2.410 0.813 -7.769 283 HG13 VAL 52 3HG1 VAL 52 -3.093 1.213 -6.193 284 HG21 VAL 52 1HG2 VAL 52 -3.526 3.605 -5.594 285 HG22 VAL 52 2HG2 VAL 52 -3.036 4.890 -6.708 286 HG23 VAL 52 3HG2 VAL 52 -1.814 3.952 -5.835 287 HA PRO 53 HA PRO 53 -3.076 7.052 -10.313 288 HB2 PRO 53 1HB PRO 53 -5.811 6.862 -9.771 289 HB3 PRO 53 2HB PRO 53 -5.049 6.566 -11.335 290 HG2 PRO 53 1HG PRO 53 -5.886 4.617 -9.234 291 HG3 PRO 53 2HG PRO 53 -5.987 4.479 -10.999 292 HD2 PRO 53 1HD PRO 53 -4.093 3.189 -9.650 293 HD3 PRO 53 2HD PRO 53 -3.726 3.954 -11.207 294 H GLY 54 H GLY 54 -3.915 8.910 -9.209 295 HA2 GLY 54 1HA GLY 54 -3.044 8.941 -6.510 296 HA3 GLY 54 2HA GLY 54 -3.676 10.305 -7.409 297 H SER 55 H SER 55 -5.861 7.723 -7.432 298 HA SER 55 HA SER 55 -7.435 9.041 -5.346 299 HB2 SER 55 1HB SER 55 -8.331 6.988 -7.371 300 HB3 SER 55 2HB SER 55 -9.359 7.894 -6.262 301 HG SER 55 HG SER 55 -8.870 8.604 -8.646 302 HA PRO 56 HA PRO 56 -6.591 5.773 -2.531 303 HB2 PRO 56 1HB PRO 56 -8.570 6.233 -0.762 304 HB3 PRO 56 2HB PRO 56 -7.201 7.330 -0.954 305 HG2 PRO 56 1HG PRO 56 -9.948 7.547 -2.124 306 HG3 PRO 56 2HG PRO 56 -8.994 8.788 -1.287 307 HD2 PRO 56 1HD PRO 56 -9.123 8.665 -3.973 308 HD3 PRO 56 2HD PRO 56 -7.647 9.173 -3.129 309 H GLU 57 H GLU 57 -9.737 6.137 -3.992 310 HA GLU 57 HA GLU 57 -10.976 3.776 -3.155 311 HB2 GLU 57 1HB GLU 57 -12.088 5.663 -4.337 312 HB3 GLU 57 2HB GLU 57 -11.253 5.200 -5.812 313 HG2 GLU 57 1HG GLU 57 -13.486 4.385 -5.917 314 HG3 GLU 57 2HG GLU 57 -12.405 3.007 -5.710 315 H GLU 58 H GLU 58 -9.218 4.445 -6.160 316 HA GLU 58 HA GLU 58 -9.324 1.825 -7.167 317 HB2 GLU 58 1HB GLU 58 -7.336 4.010 -7.789 318 HB3 GLU 58 2HB GLU 58 -7.654 2.593 -8.778 319 HG2 GLU 58 1HG GLU 58 -9.613 4.790 -8.158 320 HG3 GLU 58 2HG GLU 58 -8.751 4.563 -9.679 321 H ALA 59 H ALA 59 -7.118 3.409 -4.996 322 HA ALA 59 HA ALA 59 -4.930 1.657 -5.202 323 HB1 ALA 59 1HB ALA 59 -4.853 3.868 -4.099 324 HB2 ALA 59 2HB ALA 59 -4.202 2.575 -3.090 325 HB3 ALA 59 3HB ALA 59 -5.816 3.212 -2.775 326 H ILE 60 H ILE 60 -7.720 1.664 -2.991 327 HA ILE 60 HA ILE 60 -6.842 -0.712 -1.656 328 HB ILE 60 HB ILE 60 -9.639 0.414 -1.590 329 HG12 ILE 60 1HG1 ILE 60 -8.024 2.199 -1.054 330 HG13 ILE 60 2HG1 ILE 60 -8.946 1.718 0.367 331 HG21 ILE 60 1HG2 ILE 60 -9.360 -1.820 -0.652 332 HG22 ILE 60 2HG2 ILE 60 -9.700 -0.644 0.617 333 HG23 ILE 60 3HG2 ILE 60 -8.055 -1.235 0.380 334 HD11 ILE 60 1HD1 ILE 60 -7.072 0.426 1.177 335 HD12 ILE 60 2HD1 ILE 60 -6.582 2.091 0.861 336 HD13 ILE 60 3HD1 ILE 60 -6.152 0.814 -0.276 337 H ARG 61 H ARG 61 -9.094 0.020 -4.265 338 HA ARG 61 HA ARG 61 -10.298 -2.516 -4.456 339 HB2 ARG 61 1HB ARG 61 -9.768 -0.470 -6.619 340 HB3 ARG 61 2HB ARG 61 -10.808 -1.874 -6.808 341 HG2 ARG 61 1HG ARG 61 -12.285 -1.044 -5.071 342 HG3 ARG 61 2HG ARG 61 -11.224 0.343 -4.815 343 HD2 ARG 61 1HD ARG 61 -13.038 1.069 -6.175 344 HD3 ARG 61 2HD ARG 61 -11.609 0.973 -7.202 345 HE ARG 61 HE ARG 61 -13.304 -1.378 -7.206 346 HH11 ARG 61 1HH1 ARG 61 -12.444 1.648 -8.767 347 HH12 ARG 61 2HH1 ARG 61 -13.305 1.270 -10.233 348 HH21 ARG 61 1HH2 ARG 61 -14.415 -1.868 -9.148 349 HH22 ARG 61 2HH2 ARG 61 -14.400 -0.726 -10.456 350 H LEU 62 H LEU 62 -7.345 -1.206 -5.872 351 HA LEU 62 HA LEU 62 -6.598 -3.404 -7.451 352 HB2 LEU 62 1HB LEU 62 -5.553 -0.960 -6.979 353 HB3 LEU 62 2HB LEU 62 -4.493 -1.916 -5.970 354 HG LEU 62 HG LEU 62 -3.329 -1.722 -7.971 355 HD11 LEU 62 1HD1 LEU 62 -4.818 -4.321 -8.230 356 HD12 LEU 62 2HD1 LEU 62 -3.389 -4.034 -7.238 357 HD13 LEU 62 3HD1 LEU 62 -3.280 -3.922 -8.994 358 HD21 LEU 62 1HD2 LEU 62 -4.314 -2.051 -10.189 359 HD22 LEU 62 2HD2 LEU 62 -5.099 -0.743 -9.307 360 HD23 LEU 62 3HD2 LEU 62 -5.889 -2.312 -9.443 361 H ALA 63 H ALA 63 -5.735 -2.538 -4.125 362 HA ALA 63 HA ALA 63 -4.207 -4.787 -3.490 363 HB1 ALA 63 1HB ALA 63 -5.871 -3.051 -1.675 364 HB2 ALA 63 2HB ALA 63 -4.203 -2.750 -2.160 365 HB3 ALA 63 3HB ALA 63 -4.592 -4.147 -1.159 366 H GLN 64 H GLN 64 -7.650 -4.159 -3.085 367 HA GLN 64 HA GLN 64 -8.330 -6.463 -1.640 368 HB2 GLN 64 1HB GLN 64 -9.717 -4.379 -2.001 369 HB3 GLN 64 2HB GLN 64 -10.095 -4.992 -3.603 370 HG2 GLN 64 1HG GLN 64 -11.139 -6.957 -2.607 371 HG3 GLN 64 2HG GLN 64 -10.750 -6.346 -1.001 372 HE21 GLN 64 1HE2 GLN 64 -11.308 -3.575 -1.761 373 HE22 GLN 64 2HE2 GLN 64 -13.029 -3.439 -1.839 374 H GLU 65 H GLU 65 -8.091 -5.843 -5.096 375 HA GLU 65 HA GLU 65 -9.120 -8.346 -5.962 376 HB2 GLU 65 1HB GLU 65 -8.985 -6.345 -7.405 377 HB3 GLU 65 2HB GLU 65 -7.231 -6.451 -7.369 378 HG2 GLU 65 1HG GLU 65 -7.313 -8.591 -8.505 379 HG3 GLU 65 2HG GLU 65 -9.076 -8.547 -8.490 380 H ILE 66 H ILE 66 -5.788 -7.115 -5.590 381 HA ILE 66 HA ILE 66 -4.523 -9.474 -6.437 382 HB ILE 66 HB ILE 66 -3.488 -7.334 -4.573 383 HG12 ILE 66 1HG1 ILE 66 -3.126 -7.769 -7.548 384 HG13 ILE 66 2HG1 ILE 66 -4.103 -6.507 -6.800 385 HG21 ILE 66 1HG2 ILE 66 -1.986 -9.493 -6.049 386 HG22 ILE 66 2HG2 ILE 66 -2.214 -9.388 -4.302 387 HG23 ILE 66 3HG2 ILE 66 -1.255 -8.170 -5.143 388 HD11 ILE 66 1HD1 ILE 66 -2.104 -5.519 -5.836 389 HD12 ILE 66 2HD1 ILE 66 -1.962 -5.657 -7.588 390 HD13 ILE 66 3HD1 ILE 66 -1.118 -6.799 -6.542 391 H ALA 67 H ALA 67 -5.487 -8.396 -3.206 392 HA ALA 67 HA ALA 67 -4.254 -10.432 -1.728 393 HB1 ALA 67 1HB ALA 67 -5.190 -8.378 -0.745 394 HB2 ALA 67 2HB ALA 67 -5.767 -9.834 0.065 395 HB3 ALA 67 3HB ALA 67 -6.814 -8.983 -1.071 396 H GLU 68 H GLU 68 -7.502 -10.249 -3.130 397 HA GLU 68 HA GLU 68 -8.387 -12.765 -2.173 398 HB2 GLU 68 1HB GLU 68 -9.907 -10.977 -2.955 399 HB3 GLU 68 2HB GLU 68 -9.315 -11.208 -4.596 400 HG2 GLU 68 1HG GLU 68 -10.105 -13.593 -4.414 401 HG3 GLU 68 2HG GLU 68 -10.917 -13.117 -2.923 402 H LYS 69 H LYS 69 -6.928 -11.695 -5.205 403 HA LYS 69 HA LYS 69 -7.142 -14.337 -6.374 404 HB2 LYS 69 1HB LYS 69 -5.933 -11.783 -7.446 405 HB3 LYS 69 2HB LYS 69 -6.154 -13.263 -8.368 406 HG2 LYS 69 1HG LYS 69 -8.364 -11.629 -7.138 407 HG3 LYS 69 2HG LYS 69 -7.902 -11.604 -8.838 408 HD2 LYS 69 1HD LYS 69 -8.352 -14.108 -8.842 409 HD3 LYS 69 2HD LYS 69 -9.100 -13.871 -7.262 410 HE2 LYS 69 1HE LYS 69 -9.933 -12.615 -9.869 411 HE3 LYS 69 2HE LYS 69 -10.797 -13.855 -8.968 412 HZ1 LYS 69 1HZ LYS 69 -11.194 -12.298 -7.195 413 HZ2 LYS 69 2HZ LYS 69 -11.721 -11.624 -8.656 414 HZ3 LYS 69 3HZ LYS 69 -10.270 -11.109 -7.973 415 H ALA 70 H ALA 70 -5.278 -13.588 -4.045 416 HA ALA 70 HA ALA 70 -2.708 -14.357 -5.208 417 HB1 ALA 70 1HB ALA 70 -3.383 -13.660 -2.357 418 HB2 ALA 70 2HB ALA 70 -2.755 -12.530 -3.558 419 HB3 ALA 70 3HB ALA 70 -1.770 -13.895 -3.026 420 HA PRO 71 HA PRO 71 -3.702 -18.598 -4.042 421 HB2 PRO 71 1HB PRO 71 -1.009 -19.120 -5.105 422 HB3 PRO 71 2HB PRO 71 -2.561 -19.789 -5.614 423 HG2 PRO 71 1HG PRO 71 -1.233 -18.031 -7.139 424 HG3 PRO 71 2HG PRO 71 -3.003 -18.032 -7.041 425 HD2 PRO 71 1HD PRO 71 -1.037 -16.239 -5.661 426 HD3 PRO 71 2HD PRO 71 -2.570 -15.826 -6.460 427 H GLY 72 H GLY 72 -3.563 -18.647 -1.864 428 HA2 GLY 72 1HA GLY 72 -2.413 -19.763 -0.085 429 HA3 GLY 72 2HA GLY 72 -0.892 -19.222 -0.780 430 HA PRO 73 HA PRO 73 -1.671 -16.269 2.627 431 HB2 PRO 73 1HB PRO 73 0.888 -16.113 3.465 432 HB3 PRO 73 2HB PRO 73 -0.189 -17.421 3.965 433 HG2 PRO 73 1HG PRO 73 1.964 -17.425 1.903 434 HG3 PRO 73 2HG PRO 73 1.508 -18.693 3.052 435 HD2 PRO 73 1HD PRO 73 0.776 -18.658 0.397 436 HD3 PRO 73 2HD PRO 73 -0.103 -19.525 1.669 437 H VAL 74 H VAL 74 -1.421 -14.071 2.554 438 HA VAL 74 HA VAL 74 0.600 -12.863 0.877 439 HB VAL 74 HB VAL 74 -1.188 -13.423 -0.739 440 HG11 VAL 74 1HG1 VAL 74 -2.906 -11.607 0.946 441 HG12 VAL 74 2HG1 VAL 74 -3.114 -13.345 0.725 442 HG13 VAL 74 3HG1 VAL 74 -3.343 -12.249 -0.637 443 HG21 VAL 74 1HG2 VAL 74 -0.872 -10.469 -0.220 444 HG22 VAL 74 2HG2 VAL 74 -1.420 -11.192 -1.732 445 HG23 VAL 74 3HG2 VAL 74 0.221 -11.488 -1.156 446 H LYS 75 H LYS 75 1.005 -10.749 1.410 447 HA LYS 75 HA LYS 75 -0.788 -9.469 3.360 448 HB2 LYS 75 1HB LYS 75 2.237 -9.494 3.392 449 HB3 LYS 75 2HB LYS 75 1.246 -8.463 4.412 450 HG2 LYS 75 1HG LYS 75 1.232 -11.473 4.442 451 HG3 LYS 75 2HG LYS 75 2.067 -10.436 5.600 452 HD2 LYS 75 1HD LYS 75 -0.076 -9.466 6.276 453 HD3 LYS 75 2HD LYS 75 -0.911 -10.495 5.112 454 HE2 LYS 75 1HE LYS 75 -0.119 -12.481 6.297 455 HE3 LYS 75 2HE LYS 75 0.727 -11.457 7.454 456 HZ1 LYS 75 1HZ LYS 75 -1.351 -12.164 8.377 457 HZ2 LYS 75 2HZ LYS 75 -2.207 -11.598 7.032 458 HZ3 LYS 75 3HZ LYS 75 -1.439 -10.501 8.069 459 H VAL 76 H VAL 76 -1.485 -7.541 2.675 460 HA VAL 76 HA VAL 76 0.031 -6.247 0.507 461 HB VAL 76 HB VAL 76 -2.935 -5.971 0.991 462 HG11 VAL 76 1HG1 VAL 76 -1.139 -5.190 -1.297 463 HG12 VAL 76 2HG1 VAL 76 -2.027 -4.115 -0.217 464 HG13 VAL 76 3HG1 VAL 76 -2.900 -5.140 -1.356 465 HG21 VAL 76 1HG2 VAL 76 -2.488 -8.284 0.431 466 HG22 VAL 76 2HG2 VAL 76 -1.504 -7.791 -0.944 467 HG23 VAL 76 3HG2 VAL 76 -3.239 -7.474 -0.943 468 H LEU 77 H LEU 77 0.644 -4.202 0.754 469 HA LEU 77 HA LEU 77 -0.398 -2.678 3.055 470 HB2 LEU 77 1HB LEU 77 1.950 -3.351 3.355 471 HB3 LEU 77 2HB LEU 77 2.365 -2.601 1.826 472 HG LEU 77 HG LEU 77 1.654 -0.397 2.810 473 HD11 LEU 77 1HD1 LEU 77 0.230 -1.210 4.589 474 HD12 LEU 77 2HD1 LEU 77 1.548 -0.246 5.255 475 HD13 LEU 77 3HD1 LEU 77 1.604 -2.005 5.355 476 HD21 LEU 77 1HD2 LEU 77 3.890 -1.856 4.205 477 HD22 LEU 77 2HD2 LEU 77 3.697 -0.106 4.104 478 HD23 LEU 77 3HD2 LEU 77 3.997 -1.045 2.642 479 H VAL 78 H VAL 78 -1.294 -0.746 2.586 480 HA VAL 78 HA VAL 78 -0.900 0.303 -0.146 481 HB VAL 78 HB VAL 78 -3.338 0.710 1.594 482 HG11 VAL 78 1HG1 VAL 78 -2.917 2.541 0.038 483 HG12 VAL 78 2HG1 VAL 78 -4.349 1.626 -0.435 484 HG13 VAL 78 3HG1 VAL 78 -2.829 1.394 -1.299 485 HG21 VAL 78 1HG2 VAL 78 -2.967 -1.114 -0.779 486 HG22 VAL 78 2HG2 VAL 78 -4.493 -0.799 0.044 487 HG23 VAL 78 3HG2 VAL 78 -3.185 -1.616 0.898 488 H LEU 79 H LEU 79 -0.072 2.274 -0.336 489 HA LEU 79 HA LEU 79 0.235 3.872 2.124 490 HB2 LEU 79 1HB LEU 79 2.018 3.726 -0.315 491 HB3 LEU 79 2HB LEU 79 2.237 4.860 1.002 492 HG LEU 79 HG LEU 79 3.807 3.154 1.367 493 HD11 LEU 79 1HD1 LEU 79 3.127 2.106 3.452 494 HD12 LEU 79 2HD1 LEU 79 1.442 2.500 3.112 495 HD13 LEU 79 3HD1 LEU 79 2.610 3.791 3.390 496 HD21 LEU 79 1HD2 LEU 79 3.269 0.771 1.399 497 HD22 LEU 79 2HD2 LEU 79 2.940 1.500 -0.172 498 HD23 LEU 79 3HD2 LEU 79 1.610 1.145 0.930 499 H ILE 80 H ILE 80 -1.462 5.261 2.013 500 HA ILE 80 HA ILE 80 -2.093 6.701 -0.417 501 HB ILE 80 HB ILE 80 -3.068 7.176 2.411 502 HG12 ILE 80 1HG1 ILE 80 -4.387 5.706 0.117 503 HG13 ILE 80 2HG1 ILE 80 -3.676 4.949 1.540 504 HG21 ILE 80 1HG2 ILE 80 -4.879 8.447 1.349 505 HG22 ILE 80 2HG2 ILE 80 -4.116 8.210 -0.222 506 HG23 ILE 80 3HG2 ILE 80 -3.299 9.157 1.021 507 HD11 ILE 80 1HD1 ILE 80 -5.326 6.061 2.952 508 HD12 ILE 80 2HD1 ILE 80 -6.092 5.065 1.715 509 HD13 ILE 80 3HD1 ILE 80 -6.036 6.818 1.527 510 H THR 81 H THR 81 -1.172 8.594 -1.029 511 HA THR 81 HA THR 81 0.979 9.566 0.648 512 HB THR 81 HB THR 81 1.485 10.986 -1.406 513 HG1 THR 81 HG1 THR 81 0.320 9.529 -3.230 514 HG21 THR 81 1HG2 THR 81 2.377 9.029 -2.649 515 HG22 THR 81 2HG2 THR 81 1.443 7.975 -1.587 516 HG23 THR 81 3HG2 THR 81 2.731 8.979 -0.921 517 H GLY 82 H GLY 82 1.212 11.584 1.459 518 HA2 GLY 82 1HA GLY 82 0.728 13.824 1.860 519 HA3 GLY 82 2HA GLY 82 -0.676 13.689 0.812 520 H SER 83 H SER 83 -2.241 14.488 2.087 521 HA SER 83 HA SER 83 -2.742 13.071 4.615 522 HB2 SER 83 1HB SER 83 -4.154 15.018 5.231 523 HB3 SER 83 2HB SER 83 -2.480 15.482 4.935 524 HG SER 83 HG SER 83 -3.653 15.689 2.617 525 H ALA 84 H ALA 84 -4.721 12.059 4.898 526 HA ALA 84 HA ALA 84 -6.302 11.729 2.471 527 HB1 ALA 84 1HB ALA 84 -6.518 10.270 5.101 528 HB2 ALA 84 2HB ALA 84 -5.593 9.724 3.703 529 HB3 ALA 84 3HB ALA 84 -7.348 9.856 3.601 530 H ASP 85 H ASP 85 -7.831 13.178 2.154 531 HA ASP 85 HA ASP 85 -9.051 14.694 4.242 532 HB2 ASP 85 1HB ASP 85 -9.656 14.412 1.293 533 HB3 ASP 85 2HB ASP 85 -10.533 15.505 2.354 534 HA PRO 86 HA PRO 86 -12.546 12.546 5.736 535 HB2 PRO 86 1HB PRO 86 -14.268 14.393 4.125 536 HB3 PRO 86 2HB PRO 86 -14.451 13.867 5.804 537 HG2 PRO 86 1HG PRO 86 -13.425 16.250 5.261 538 HG3 PRO 86 2HG PRO 86 -12.750 15.254 6.562 539 HD2 PRO 86 1HD PRO 86 -11.643 15.863 3.881 540 HD3 PRO 86 2HD PRO 86 -10.797 15.496 5.395 541 H ASP 87 H ASP 87 -13.249 13.423 2.313 542 HA ASP 87 HA ASP 87 -14.893 11.123 1.934 543 HB2 ASP 87 1HB ASP 87 -13.619 12.975 -0.083 544 HB3 ASP 87 2HB ASP 87 -14.746 11.692 -0.501 545 H GLU 88 H GLU 88 -11.612 11.946 0.912 546 HA GLU 88 HA GLU 88 -10.975 9.597 -0.435 547 HB2 GLU 88 1HB GLU 88 -9.298 11.561 1.115 548 HB3 GLU 88 2HB GLU 88 -8.581 10.182 0.298 549 HG2 GLU 88 1HG GLU 88 -8.454 12.264 -1.009 550 HG3 GLU 88 2HG GLU 88 -9.329 10.981 -1.837 551 H LYS 89 H LYS 89 -10.679 10.411 2.979 552 HA LYS 89 HA LYS 89 -9.466 8.007 3.826 553 HB2 LYS 89 1HB LYS 89 -9.452 10.083 5.143 554 HB3 LYS 89 2HB LYS 89 -11.191 9.960 5.362 555 HG2 LYS 89 1HG LYS 89 -10.834 7.826 6.576 556 HG3 LYS 89 2HG LYS 89 -9.094 8.094 6.450 557 HD2 LYS 89 1HD LYS 89 -11.020 10.023 7.739 558 HD3 LYS 89 2HD LYS 89 -10.088 8.819 8.624 559 HE2 LYS 89 1HE LYS 89 -8.843 10.921 6.865 560 HE3 LYS 89 2HE LYS 89 -9.116 11.140 8.591 561 HZ1 LYS 89 1HZ LYS 89 -6.867 10.393 8.125 562 HZ2 LYS 89 2HZ LYS 89 -7.460 9.002 7.371 563 HZ3 LYS 89 3HZ LYS 89 -7.708 9.236 9.027 564 H THR 90 H THR 90 -12.841 9.026 3.550 565 HA THR 90 HA THR 90 -13.927 6.722 4.805 566 HB THR 90 HB THR 90 -15.242 8.658 2.887 567 HG1 THR 90 HG1 THR 90 -14.656 9.817 4.658 568 HG21 THR 90 1HG2 THR 90 -16.471 6.722 4.855 569 HG22 THR 90 2HG2 THR 90 -16.495 6.557 3.100 570 HG23 THR 90 3HG2 THR 90 -17.348 7.894 3.873 571 H LYS 91 H LYS 91 -13.373 7.615 1.409 572 HA LYS 91 HA LYS 91 -14.507 5.314 0.265 573 HB2 LYS 91 1HB LYS 91 -12.357 7.182 -0.708 574 HB3 LYS 91 2HB LYS 91 -12.932 5.829 -1.672 575 HG2 LYS 91 1HG LYS 91 -15.202 6.763 -1.598 576 HG3 LYS 91 2HG LYS 91 -14.587 8.138 -0.678 577 HD2 LYS 91 1HD LYS 91 -13.164 8.785 -2.519 578 HD3 LYS 91 2HD LYS 91 -13.635 7.347 -3.428 579 HE2 LYS 91 1HE LYS 91 -15.939 8.147 -3.509 580 HE3 LYS 91 2HE LYS 91 -15.484 9.574 -2.579 581 HZ1 LYS 91 1HZ LYS 91 -14.400 8.872 -5.251 582 HZ2 LYS 91 2HZ LYS 91 -14.055 10.272 -4.366 583 HZ3 LYS 91 3HZ LYS 91 -15.613 10.012 -4.962 584 H ALA 92 H ALA 92 -11.252 5.993 1.419 585 HA ALA 92 HA ALA 92 -10.140 3.513 0.607 586 HB1 ALA 92 1HB ALA 92 -8.281 4.088 2.080 587 HB2 ALA 92 2HB ALA 92 -9.234 5.390 2.790 588 HB3 ALA 92 3HB ALA 92 -8.752 5.474 1.098 589 H LYS 93 H LYS 93 -11.629 4.712 3.572 590 HA LYS 93 HA LYS 93 -11.032 2.528 5.208 591 HB2 LYS 93 1HB LYS 93 -11.876 4.734 6.008 592 HB3 LYS 93 2HB LYS 93 -13.467 4.304 5.397 593 HG2 LYS 93 1HG LYS 93 -13.515 2.378 6.926 594 HG3 LYS 93 2HG LYS 93 -11.943 2.862 7.560 595 HD2 LYS 93 1HD LYS 93 -13.557 3.690 9.082 596 HD3 LYS 93 2HD LYS 93 -13.002 5.080 8.150 597 HE2 LYS 93 1HE LYS 93 -15.360 5.258 8.309 598 HE3 LYS 93 2HE LYS 93 -15.002 4.749 6.662 599 HZ1 LYS 93 1HZ LYS 93 -16.819 3.468 7.466 600 HZ2 LYS 93 2HZ LYS 93 -15.996 3.051 8.884 601 HZ3 LYS 93 3HZ LYS 93 -15.478 2.431 7.393 602 H LYS 94 H LYS 94 -14.019 3.217 3.364 603 HA LYS 94 HA LYS 94 -15.432 0.966 4.234 604 HB2 LYS 94 1HB LYS 94 -16.913 1.317 2.326 605 HB3 LYS 94 2HB LYS 94 -16.523 2.843 3.105 606 HG2 LYS 94 1HG LYS 94 -15.000 3.420 1.349 607 HG3 LYS 94 2HG LYS 94 -15.173 1.823 0.617 608 HD2 LYS 94 1HD LYS 94 -17.540 2.281 0.186 609 HD3 LYS 94 2HD LYS 94 -17.366 3.874 0.921 610 HE2 LYS 94 1HE LYS 94 -17.300 3.964 -1.536 611 HE3 LYS 94 2HE LYS 94 -15.804 4.536 -0.808 612 HZ1 LYS 94 1HZ LYS 94 -14.884 2.278 -1.225 613 HZ2 LYS 94 2HZ LYS 94 -15.238 3.153 -2.627 614 HZ3 LYS 94 3HZ LYS 94 -16.279 1.916 -2.112 615 H ALA 95 H ALA 95 -13.155 1.337 1.593 616 HA ALA 95 HA ALA 95 -13.669 -1.298 0.549 617 HB1 ALA 95 1HB ALA 95 -11.461 0.651 -0.098 618 HB2 ALA 95 2HB ALA 95 -13.010 0.536 -0.934 619 HB3 ALA 95 3HB ALA 95 -11.864 -0.802 -1.010 620 H ALA 96 H ALA 96 -11.318 0.250 2.650 621 HA ALA 96 HA ALA 96 -9.473 -1.899 2.760 622 HB1 ALA 96 1HB ALA 96 -8.534 -0.770 4.687 623 HB2 ALA 96 2HB ALA 96 -9.969 0.245 4.820 624 HB3 ALA 96 3HB ALA 96 -8.906 0.402 3.421 625 H GLU 97 H GLU 97 -12.319 -1.049 4.648 626 HA GLU 97 HA GLU 97 -12.003 -3.034 6.634 627 HB2 GLU 97 1HB GLU 97 -14.517 -1.699 5.614 628 HB3 GLU 97 2HB GLU 97 -14.403 -2.651 7.089 629 HG2 GLU 97 1HG GLU 97 -12.783 -1.051 7.988 630 HG3 GLU 97 2HG GLU 97 -12.922 -0.093 6.517 631 H GLU 98 H GLU 98 -13.339 -3.061 3.417 632 HA GLU 98 HA GLU 98 -14.451 -5.700 3.596 633 HB2 GLU 98 1HB GLU 98 -15.264 -4.031 1.969 634 HB3 GLU 98 2HB GLU 98 -13.695 -4.035 1.180 635 HG2 GLU 98 1HG GLU 98 -15.215 -5.351 -0.103 636 HG3 GLU 98 2HG GLU 98 -14.022 -6.419 0.631 637 H ALA 99 H ALA 99 -11.445 -4.258 2.461 638 HA ALA 99 HA ALA 99 -10.340 -6.714 1.484 639 HB1 ALA 99 1HB ALA 99 -9.712 -4.540 0.548 640 HB2 ALA 99 2HB ALA 99 -8.308 -5.423 1.144 641 HB3 ALA 99 3HB ALA 99 -8.977 -4.093 2.087 642 H ARG 100 H ARG 100 -10.657 -5.328 4.564 643 HA ARG 100 HA ARG 100 -8.353 -6.169 5.891 644 HB2 ARG 100 1HB ARG 100 -9.997 -4.672 6.914 645 HB3 ARG 100 2HB ARG 100 -11.182 -5.972 6.945 646 HG2 ARG 100 1HG ARG 100 -9.735 -7.231 8.480 647 HG3 ARG 100 2HG ARG 100 -8.592 -5.890 8.478 648 HD2 ARG 100 1HD ARG 100 -10.308 -4.423 9.412 649 HD3 ARG 100 2HD ARG 100 -11.460 -5.759 9.400 650 HE ARG 100 HE ARG 100 -9.270 -6.627 10.853 651 HH11 ARG 100 1HH1 ARG 100 -11.656 -4.082 11.097 652 HH12 ARG 100 2HH1 ARG 100 -11.608 -4.027 12.830 653 HH21 ARG 100 1HH2 ARG 100 -9.192 -6.546 13.141 654 HH22 ARG 100 2HH2 ARG 100 -10.200 -5.421 13.992 655 H LYS 101 H LYS 101 -11.025 -7.963 4.683 656 HA LYS 101 HA LYS 101 -10.869 -10.238 6.331 657 HB2 LYS 101 1HB LYS 101 -11.836 -9.934 3.487 658 HB3 LYS 101 2HB LYS 101 -12.060 -11.382 4.459 659 HG2 LYS 101 1HG LYS 101 -13.395 -10.138 6.057 660 HG3 LYS 101 2HG LYS 101 -13.124 -8.649 5.150 661 HD2 LYS 101 1HD LYS 101 -14.275 -9.623 3.220 662 HD3 LYS 101 2HD LYS 101 -14.543 -11.108 4.128 663 HE2 LYS 101 1HE LYS 101 -15.587 -8.388 4.903 664 HE3 LYS 101 2HE LYS 101 -16.523 -9.627 4.073 665 HZ1 LYS 101 1HZ LYS 101 -16.998 -9.681 6.409 666 HZ2 LYS 101 2HZ LYS 101 -15.359 -9.830 6.797 667 HZ3 LYS 101 3HZ LYS 101 -16.153 -11.087 5.996 668 H TRP 102 H TRP 102 -8.769 -9.092 3.877 669 HA TRP 102 HA TRP 102 -7.361 -11.682 3.916 670 HB2 TRP 102 1HB TRP 102 -7.329 -9.588 1.734 671 HB3 TRP 102 2HB TRP 102 -6.371 -11.069 1.741 672 HD1 TRP 102 HD1 TRP 102 -8.037 -13.405 1.948 673 HE1 TRP 102 HE1 TRP 102 -10.160 -13.884 0.572 674 HE3 TRP 102 HE3 TRP 102 -9.165 -8.631 0.508 675 HZ2 TRP 102 HZ2 TRP 102 -12.052 -12.429 -0.926 676 HZ3 TRP 102 HZ3 TRP 102 -11.148 -8.267 -0.900 677 HH2 TRP 102 HH2 TRP 102 -12.558 -10.126 -1.602 678 H ASN 103 H ASN 103 -7.334 -9.024 5.477 679 HA ASN 103 HA ASN 103 -5.877 -7.734 6.613 680 HB2 ASN 103 1HB ASN 103 -4.935 -10.041 7.107 681 HB3 ASN 103 2HB ASN 103 -3.728 -9.715 5.869 682 HD21 ASN 103 1HD2 ASN 103 -3.569 -10.126 8.816 683 HD22 ASN 103 2HD2 ASN 103 -2.690 -8.761 9.413 684 H VAL 104 H VAL 104 -6.275 -6.267 4.784 685 HA VAL 104 HA VAL 104 -3.800 -5.692 3.307 686 HB VAL 104 HB VAL 104 -6.615 -4.705 2.801 687 HG11 VAL 104 1HG1 VAL 104 -4.975 -2.987 2.245 688 HG12 VAL 104 2HG1 VAL 104 -5.707 -3.657 0.787 689 HG13 VAL 104 3HG1 VAL 104 -4.080 -4.148 1.262 690 HG21 VAL 104 1HG2 VAL 104 -6.348 -7.007 2.138 691 HG22 VAL 104 2HG2 VAL 104 -4.856 -6.627 1.282 692 HG23 VAL 104 3HG2 VAL 104 -6.392 -5.995 0.696 693 H ARG 105 H ARG 105 -2.557 -4.360 4.428 694 HA ARG 105 HA ARG 105 -3.730 -2.592 6.411 695 HB2 ARG 105 1HB ARG 105 -1.791 -3.982 6.995 696 HB3 ARG 105 2HB ARG 105 -0.842 -3.194 5.747 697 HG2 ARG 105 1HG ARG 105 -0.274 -2.333 7.940 698 HG3 ARG 105 2HG ARG 105 -1.007 -1.074 6.949 699 HD2 ARG 105 1HD ARG 105 -2.696 -2.695 8.809 700 HD3 ARG 105 2HD ARG 105 -1.733 -1.359 9.432 701 HE ARG 105 HE ARG 105 -2.976 -0.026 7.618 702 HH11 ARG 105 1HH1 ARG 105 -4.358 -2.704 9.396 703 HH12 ARG 105 2HH1 ARG 105 -5.975 -2.087 9.314 704 HH21 ARG 105 1HH2 ARG 105 -5.102 0.793 7.510 705 HH22 ARG 105 2HH2 ARG 105 -6.401 -0.101 8.239 706 H VAL 106 H VAL 106 -4.610 -0.865 5.401 707 HA VAL 106 HA VAL 106 -2.951 0.705 3.583 708 HB VAL 106 HB VAL 106 -5.266 0.433 2.904 709 HG11 VAL 106 1HG1 VAL 106 -7.117 1.360 4.222 710 HG12 VAL 106 2HG1 VAL 106 -5.990 1.731 5.528 711 HG13 VAL 106 3HG1 VAL 106 -6.290 0.054 5.072 712 HG21 VAL 106 1HG2 VAL 106 -5.923 2.798 2.668 713 HG22 VAL 106 2HG2 VAL 106 -4.217 2.532 2.312 714 HG23 VAL 106 3HG2 VAL 106 -4.696 3.238 3.855 715 H ARG 107 H ARG 107 -1.972 2.571 4.144 716 HA ARG 107 HA ARG 107 -2.875 4.021 6.491 717 HB2 ARG 107 1HB ARG 107 -0.672 4.097 7.530 718 HB3 ARG 107 2HB ARG 107 -1.250 2.444 7.414 719 HG2 ARG 107 1HG ARG 107 0.158 2.240 5.325 720 HG3 ARG 107 2HG ARG 107 0.889 3.780 5.790 721 HD2 ARG 107 1HD ARG 107 0.935 1.165 7.268 722 HD3 ARG 107 2HD ARG 107 2.301 2.113 6.680 723 HE ARG 107 HE ARG 107 1.261 3.821 8.406 724 HH11 ARG 107 1HH1 ARG 107 1.861 0.391 8.734 725 HH12 ARG 107 2HH1 ARG 107 2.032 0.455 10.459 726 HH21 ARG 107 1HH2 ARG 107 1.473 3.908 10.678 727 HH22 ARG 107 2HH2 ARG 107 1.817 2.457 11.562 728 H THR 108 H THR 108 -1.678 6.124 6.699 729 HA THR 108 HA THR 108 -1.374 7.191 3.987 730 HB THR 108 HB THR 108 -1.935 8.716 6.536 731 HG1 THR 108 HG1 THR 108 -3.513 7.068 5.181 732 HG21 THR 108 1HG2 THR 108 -0.994 10.072 4.721 733 HG22 THR 108 2HG2 THR 108 -2.685 10.480 5.009 734 HG23 THR 108 3HG2 THR 108 -2.243 9.477 3.628 735 H VAL 109 H VAL 109 0.438 8.093 3.313 736 HA VAL 109 HA VAL 109 2.665 8.417 5.215 737 HB VAL 109 HB VAL 109 2.724 7.747 2.265 738 HG11 VAL 109 1HG1 VAL 109 4.547 9.288 2.937 739 HG12 VAL 109 2HG1 VAL 109 5.124 7.709 2.412 740 HG13 VAL 109 3HG1 VAL 109 5.066 8.098 4.130 741 HG21 VAL 109 1HG2 VAL 109 2.153 5.865 3.716 742 HG22 VAL 109 2HG2 VAL 109 3.608 6.157 4.670 743 HG23 VAL 109 3HG2 VAL 109 3.743 5.654 2.984 744 H THR 110 H THR 110 2.983 10.507 5.649 745 HA THR 110 HA THR 110 2.422 12.489 3.554 746 HB THR 110 HB THR 110 3.100 13.172 6.403 747 HG1 THR 110 HG1 THR 110 0.560 12.337 5.378 748 HG21 THR 110 1HG2 THR 110 2.939 14.993 4.782 749 HG22 THR 110 2HG2 THR 110 1.614 15.075 5.944 750 HG23 THR 110 3HG2 THR 110 1.326 14.451 4.321 751 H SER 111 H SER 111 4.918 11.031 5.441 752 HA SER 111 HA SER 111 6.930 12.682 4.059 753 HB2 SER 111 1HB SER 111 8.343 12.324 6.156 754 HB3 SER 111 2HB SER 111 6.980 13.427 6.321 755 HG SER 111 HG SER 111 5.897 11.234 6.952 756 HA PRO 112 HA PRO 112 8.406 8.933 2.285 757 HB2 PRO 112 1HB PRO 112 11.090 10.149 2.709 758 HB3 PRO 112 2HB PRO 112 10.375 9.487 1.235 759 HG2 PRO 112 1HG PRO 112 10.563 12.116 1.586 760 HG3 PRO 112 2HG PRO 112 9.130 11.400 0.826 761 HD2 PRO 112 1HD PRO 112 9.472 12.484 3.584 762 HD3 PRO 112 2HD PRO 112 8.060 12.544 2.511 763 H ASP 113 H ASP 113 9.844 10.101 5.272 764 HA ASP 113 HA ASP 113 11.354 7.836 5.938 765 HB2 ASP 113 1HB ASP 113 11.558 9.972 7.137 766 HB3 ASP 113 2HB ASP 113 9.935 9.763 7.790 767 H GLU 114 H GLU 114 7.950 8.563 6.328 768 HA GLU 114 HA GLU 114 7.289 6.432 8.052 769 HB2 GLU 114 1HB GLU 114 5.585 7.890 6.028 770 HB3 GLU 114 2HB GLU 114 4.965 6.801 7.262 771 HG2 GLU 114 1HG GLU 114 5.736 8.267 9.004 772 HG3 GLU 114 2HG GLU 114 6.508 9.319 7.819 773 H ALA 115 H ALA 115 6.861 6.744 4.523 774 HA ALA 115 HA ALA 115 5.884 4.204 4.026 775 HB1 ALA 115 1HB ALA 115 7.648 5.885 2.248 776 HB2 ALA 115 2HB ALA 115 5.887 5.937 2.331 777 HB3 ALA 115 3HB ALA 115 6.697 4.496 1.724 778 H LYS 116 H LYS 116 9.242 5.303 4.157 779 HA LYS 116 HA LYS 116 10.387 2.889 3.294 780 HB2 LYS 116 1HB LYS 116 11.508 5.117 3.294 781 HB3 LYS 116 2HB LYS 116 11.655 5.000 5.042 782 HG2 LYS 116 1HG LYS 116 13.265 3.360 4.933 783 HG3 LYS 116 2HG LYS 116 12.764 2.827 3.327 784 HD2 LYS 116 1HD LYS 116 13.595 5.004 2.429 785 HD3 LYS 116 2HD LYS 116 14.239 5.361 4.032 786 HE2 LYS 116 1HE LYS 116 15.777 3.575 3.918 787 HE3 LYS 116 2HE LYS 116 14.961 2.861 2.526 788 HZ1 LYS 116 1HZ LYS 116 17.016 4.012 1.920 789 HZ2 LYS 116 2HZ LYS 116 16.385 5.466 2.506 790 HZ3 LYS 116 3HZ LYS 116 15.664 4.708 1.173 791 H ARG 117 H ARG 117 9.513 4.048 6.519 792 HA ARG 117 HA ARG 117 10.805 1.801 7.785 793 HB2 ARG 117 1HB ARG 117 9.992 2.659 9.881 794 HB3 ARG 117 2HB ARG 117 10.634 3.995 8.938 795 HG2 ARG 117 1HG ARG 117 8.467 4.796 8.434 796 HG3 ARG 117 2HG ARG 117 7.709 3.327 9.048 797 HD2 ARG 117 1HD ARG 117 7.420 5.047 10.678 798 HD3 ARG 117 2HD ARG 117 8.591 3.892 11.302 799 HE ARG 117 HE ARG 117 9.696 6.213 9.954 800 HH11 ARG 117 1HH1 ARG 117 8.816 4.699 12.988 801 HH12 ARG 117 2HH1 ARG 117 9.761 5.793 13.946 802 HH21 ARG 117 1HH2 ARG 117 10.927 7.650 11.203 803 HH22 ARG 117 2HH2 ARG 117 10.960 7.473 12.937 804 H TRP 118 H TRP 118 7.503 2.694 6.874 805 HA TRP 118 HA TRP 118 6.280 0.604 8.368 806 HB2 TRP 118 1HB TRP 118 5.191 2.230 6.071 807 HB3 TRP 118 2HB TRP 118 4.237 1.143 7.071 808 HD1 TRP 118 HD1 TRP 118 4.213 4.521 6.715 809 HE1 TRP 118 HE1 TRP 118 4.013 5.869 8.894 810 HE3 TRP 118 HE3 TRP 118 5.657 0.915 10.061 811 HZ2 TRP 118 HZ2 TRP 118 4.413 5.470 11.650 812 HZ3 TRP 118 HZ3 TRP 118 5.718 1.490 12.444 813 HH2 TRP 118 HH2 TRP 118 5.108 3.719 13.224 814 H ILE 119 H ILE 119 7.306 0.886 4.993 815 HA ILE 119 HA ILE 119 6.276 -1.586 4.121 816 HB ILE 119 HB ILE 119 8.726 -0.076 3.184 817 HG12 ILE 119 1HG1 ILE 119 5.952 -0.328 2.001 818 HG13 ILE 119 2HG1 ILE 119 6.554 1.072 2.882 819 HG21 ILE 119 1HG2 ILE 119 8.966 -2.428 2.605 820 HG22 ILE 119 2HG2 ILE 119 8.628 -1.472 1.163 821 HG23 ILE 119 3HG2 ILE 119 7.350 -2.435 1.899 822 HD11 ILE 119 1HD1 ILE 119 6.597 1.433 0.480 823 HD12 ILE 119 2HD1 ILE 119 7.646 0.029 0.278 824 HD13 ILE 119 3HD1 ILE 119 8.227 1.446 1.154 825 H LYS 120 H LYS 120 9.272 -0.700 5.736 826 HA LYS 120 HA LYS 120 10.457 -3.274 5.606 827 HB2 LYS 120 1HB LYS 120 11.715 -1.157 5.978 828 HB3 LYS 120 2HB LYS 120 11.003 -1.052 7.580 829 HG2 LYS 120 1HG LYS 120 12.114 -3.075 8.262 830 HG3 LYS 120 2HG LYS 120 12.725 -3.330 6.631 831 HD2 LYS 120 1HD LYS 120 14.553 -2.418 7.730 832 HD3 LYS 120 2HD LYS 120 13.842 -1.019 6.931 833 HE2 LYS 120 1HE LYS 120 13.363 -1.785 9.811 834 HE3 LYS 120 2HE LYS 120 14.545 -0.596 9.277 835 HZ1 LYS 120 1HZ LYS 120 12.610 0.552 9.952 836 HZ2 LYS 120 2HZ LYS 120 11.598 -0.435 9.029 837 HZ3 LYS 120 3HZ LYS 120 12.658 0.641 8.265 838 H GLU 121 H GLU 121 8.477 -1.618 8.036 839 HA GLU 121 HA GLU 121 8.736 -3.615 10.027 840 HB2 GLU 121 1HB GLU 121 8.024 -1.309 10.531 841 HB3 GLU 121 2HB GLU 121 6.522 -1.587 9.659 842 HG2 GLU 121 1HG GLU 121 5.856 -3.267 11.258 843 HG3 GLU 121 2HG GLU 121 7.395 -3.117 12.101 844 H PHE 122 H PHE 122 6.352 -3.072 7.474 845 HA PHE 122 HA PHE 122 4.626 -5.179 8.344 846 HB2 PHE 122 1HB PHE 122 3.982 -3.153 6.938 847 HB3 PHE 122 2HB PHE 122 4.727 -3.978 5.576 848 HD1 PHE 122 HD1 PHE 122 2.304 -4.776 8.304 849 HD2 PHE 122 HD2 PHE 122 3.299 -5.088 4.182 850 HE1 PHE 122 HE1 PHE 122 0.193 -5.970 7.890 851 HE2 PHE 122 HE2 PHE 122 1.192 -6.283 3.759 852 HZ PHE 122 HZ PHE 122 -0.365 -6.726 5.614 853 H SER 123 H SER 123 7.481 -4.999 6.450 854 HA SER 123 HA SER 123 7.090 -7.585 5.201 855 HB2 SER 123 1HB SER 123 8.240 -5.953 3.870 856 HB3 SER 123 2HB SER 123 9.382 -5.613 5.167 857 HG SER 123 HG SER 123 9.139 -8.123 3.857 858 H GLU 124 H GLU 124 9.161 -6.125 7.660 859 HA GLU 124 HA GLU 124 10.459 -6.947 9.308 860 HB2 GLU 124 1HB GLU 124 9.023 -9.567 8.827 861 HB3 GLU 124 2HB GLU 124 10.058 -9.205 10.202 862 HG2 GLU 124 1HG GLU 124 8.512 -7.435 10.889 863 HG3 GLU 124 2HG GLU 124 7.470 -7.826 9.522 864 H GLU 125 H GLU 125 10.214 -9.869 7.313 865 HA GLU 125 HA GLU 125 12.511 -9.449 5.784 866 HB2 GLU 125 1HB GLU 125 13.699 -9.682 7.939 867 HB3 GLU 125 2HB GLU 125 12.966 -11.264 8.163 868 HG2 GLU 125 1HG GLU 125 14.137 -12.134 6.256 869 HG3 GLU 125 2HG GLU 125 14.768 -10.534 5.869 Start of MODEL 3 1 HA MET 21 HA MET 21 2.811 -16.323 1.093 2 HB2 MET 21 1HB MET 21 4.172 -16.954 3.059 3 HB3 MET 21 2HB MET 21 5.481 -15.945 2.466 4 HG2 MET 21 1HG MET 21 4.143 -13.963 2.750 5 HG3 MET 21 2HG MET 21 2.746 -14.934 3.211 6 HE1 MET 21 1HE MET 21 3.869 -12.476 4.947 7 HE2 MET 21 2HE MET 21 3.734 -13.157 6.568 8 HE3 MET 21 3HE MET 21 2.455 -13.432 5.387 9 H ARG 22 H ARG 22 2.332 -14.448 0.148 10 HA ARG 22 HA ARG 22 4.501 -13.111 -1.333 11 HB2 ARG 22 1HB ARG 22 2.670 -14.207 -2.680 12 HB3 ARG 22 2HB ARG 22 1.554 -13.039 -1.990 13 HG2 ARG 22 1HG ARG 22 2.267 -12.361 -4.209 14 HG3 ARG 22 2HG ARG 22 2.834 -11.216 -2.991 15 HD2 ARG 22 1HD ARG 22 5.041 -12.155 -3.052 16 HD3 ARG 22 2HD ARG 22 4.506 -13.461 -4.108 17 HE ARG 22 HE ARG 22 3.930 -11.293 -5.574 18 HH11 ARG 22 1HH1 ARG 22 6.832 -12.167 -3.810 19 HH12 ARG 22 2HH1 ARG 22 7.897 -11.393 -4.938 20 HH21 ARG 22 1HH2 ARG 22 5.324 -10.273 -7.049 21 HH22 ARG 22 2HH2 ARG 22 7.043 -10.321 -6.786 22 H LEU 23 H LEU 23 5.024 -11.138 -0.705 23 HA LEU 23 HA LEU 23 3.045 -9.576 0.810 24 HB2 LEU 23 1HB LEU 23 6.058 -9.359 0.766 25 HB3 LEU 23 2HB LEU 23 4.999 -8.241 1.602 26 HG LEU 23 HG LEU 23 4.168 -10.333 2.887 27 HD11 LEU 23 1HD1 LEU 23 5.243 -12.010 1.488 28 HD12 LEU 23 2HD1 LEU 23 5.846 -12.086 3.146 29 HD13 LEU 23 3HD1 LEU 23 6.827 -11.338 1.884 30 HD21 LEU 23 1HD2 LEU 23 6.941 -9.241 3.333 31 HD22 LEU 23 2HD2 LEU 23 5.937 -10.054 4.533 32 HD23 LEU 23 3HD2 LEU 23 5.435 -8.498 3.874 33 H VAL 24 H VAL 24 2.227 -7.831 -0.110 34 HA VAL 24 HA VAL 24 3.491 -6.850 -2.589 35 HB VAL 24 HB VAL 24 0.530 -7.075 -2.006 36 HG11 VAL 24 1HG1 VAL 24 1.989 -6.236 -4.508 37 HG12 VAL 24 2HG1 VAL 24 0.990 -5.212 -3.477 38 HG13 VAL 24 3HG1 VAL 24 0.255 -6.524 -4.397 39 HG21 VAL 24 1HG2 VAL 24 1.538 -9.264 -2.321 40 HG22 VAL 24 2HG2 VAL 24 2.275 -8.725 -3.829 41 HG23 VAL 24 3HG2 VAL 24 0.521 -8.845 -3.699 42 H VAL 25 H VAL 25 3.377 -4.630 -2.996 43 HA VAL 25 HA VAL 25 2.364 -2.960 -0.789 44 HB VAL 25 HB VAL 25 4.843 -2.382 -2.431 45 HG11 VAL 25 1HG1 VAL 25 3.688 -1.010 -0.005 46 HG12 VAL 25 2HG1 VAL 25 3.691 -0.386 -1.655 47 HG13 VAL 25 3HG1 VAL 25 5.213 -0.601 -0.790 48 HG21 VAL 25 1HG2 VAL 25 6.138 -2.895 -0.446 49 HG22 VAL 25 2HG2 VAL 25 5.167 -4.298 -0.899 50 HG23 VAL 25 3HG2 VAL 25 4.667 -3.278 0.448 51 H LEU 26 H LEU 26 0.889 -1.528 -1.444 52 HA LEU 26 HA LEU 26 0.954 -0.679 -4.262 53 HB2 LEU 26 1HB LEU 26 -1.234 -1.634 -2.620 54 HB3 LEU 26 2HB LEU 26 -1.568 -0.036 -3.261 55 HG LEU 26 HG LEU 26 -0.847 -1.066 -5.537 56 HD11 LEU 26 1HD1 LEU 26 -1.576 -3.547 -3.991 57 HD12 LEU 26 2HD1 LEU 26 0.001 -3.172 -4.689 58 HD13 LEU 26 3HD1 LEU 26 -1.390 -3.443 -5.743 59 HD21 LEU 26 1HD2 LEU 26 -3.446 -1.920 -4.302 60 HD22 LEU 26 2HD2 LEU 26 -3.103 -1.639 -6.008 61 HD23 LEU 26 3HD2 LEU 26 -3.103 -0.289 -4.874 62 H ILE 27 H ILE 27 1.387 1.379 -4.598 63 HA ILE 27 HA ILE 27 1.125 3.226 -2.313 64 HB ILE 27 HB ILE 27 3.481 2.683 -2.755 65 HG12 ILE 27 1HG1 ILE 27 2.726 5.501 -3.563 66 HG13 ILE 27 2HG1 ILE 27 2.901 4.916 -1.912 67 HG21 ILE 27 1HG2 ILE 27 3.331 2.142 -5.112 68 HG22 ILE 27 2HG2 ILE 27 4.546 3.393 -4.852 69 HG23 ILE 27 3HG2 ILE 27 2.962 3.822 -5.496 70 HD11 ILE 27 1HD1 ILE 27 5.102 5.063 -3.956 71 HD12 ILE 27 2HD1 ILE 27 5.267 4.536 -2.281 72 HD13 ILE 27 3HD1 ILE 27 4.831 6.206 -2.643 73 H VAL 28 H VAL 28 0.449 5.311 -2.748 74 HA VAL 28 HA VAL 28 -0.945 5.699 -5.266 75 HB VAL 28 HB VAL 28 -0.797 7.481 -2.818 76 HG11 VAL 28 1HG1 VAL 28 -2.632 7.595 -5.207 77 HG12 VAL 28 2HG1 VAL 28 -1.335 8.732 -4.840 78 HG13 VAL 28 3HG1 VAL 28 -2.737 8.621 -3.775 79 HG21 VAL 28 1HG2 VAL 28 -3.045 6.656 -2.318 80 HG22 VAL 28 2HG2 VAL 28 -1.867 5.343 -2.331 81 HG23 VAL 28 3HG2 VAL 28 -2.954 5.567 -3.702 82 H SER 29 H SER 29 -0.313 7.073 -6.845 83 HA SER 29 HA SER 29 2.399 7.706 -7.074 84 HB2 SER 29 1HB SER 29 0.040 8.769 -8.634 85 HB3 SER 29 2HB SER 29 1.729 8.946 -9.111 86 HG SER 29 HG SER 29 0.122 6.636 -9.027 87 H ASN 30 H ASN 30 3.492 9.167 -6.036 88 HA ASN 30 HA ASN 30 2.396 11.863 -5.697 89 HB2 ASN 30 1HB ASN 30 2.345 10.389 -3.549 90 HB3 ASN 30 2HB ASN 30 4.091 10.609 -3.547 91 HD21 ASN 30 1HD2 ASN 30 1.004 12.178 -3.225 92 HD22 ASN 30 2HD2 ASN 30 1.595 13.629 -2.488 93 H ASP 31 H ASP 31 4.611 13.069 -4.583 94 HA ASP 31 HA ASP 31 6.163 13.676 -6.747 95 HB2 ASP 31 1HB ASP 31 6.176 15.086 -4.802 96 HB3 ASP 31 2HB ASP 31 6.908 13.818 -3.826 97 H LYS 32 H LYS 32 8.142 13.217 -7.482 98 HA LYS 32 HA LYS 32 8.782 10.744 -8.189 99 HB2 LYS 32 1HB LYS 32 11.146 11.622 -8.512 100 HB3 LYS 32 2HB LYS 32 9.841 12.551 -9.243 101 HG2 LYS 32 1HG LYS 32 9.887 14.037 -7.232 102 HG3 LYS 32 2HG LYS 32 11.338 13.184 -6.713 103 HD2 LYS 32 1HD LYS 32 12.514 13.894 -8.696 104 HD3 LYS 32 2HD LYS 32 11.047 14.636 -9.338 105 HE2 LYS 32 1HE LYS 32 12.483 15.452 -6.813 106 HE3 LYS 32 2HE LYS 32 12.544 16.307 -8.353 107 HZ1 LYS 32 1HZ LYS 32 10.969 17.315 -6.803 108 HZ2 LYS 32 2HZ LYS 32 10.080 15.874 -6.735 109 HZ3 LYS 32 3HZ LYS 32 10.185 16.740 -8.186 110 H LYS 33 H LYS 33 10.269 12.247 -5.288 111 HA LYS 33 HA LYS 33 12.142 10.163 -4.949 112 HB2 LYS 33 1HB LYS 33 11.173 12.241 -2.992 113 HB3 LYS 33 2HB LYS 33 12.523 11.157 -2.699 114 HG2 LYS 33 1HG LYS 33 13.665 12.092 -4.674 115 HG3 LYS 33 2HG LYS 33 12.332 13.228 -4.876 116 HD2 LYS 33 1HD LYS 33 14.199 14.283 -3.728 117 HD3 LYS 33 2HD LYS 33 12.800 14.163 -2.660 118 HE2 LYS 33 1HE LYS 33 13.765 12.258 -1.536 119 HE3 LYS 33 2HE LYS 33 15.111 12.220 -2.675 120 HZ1 LYS 33 1HZ LYS 33 14.524 14.444 -0.799 121 HZ2 LYS 33 2HZ LYS 33 15.842 14.353 -1.852 122 HZ3 LYS 33 3HZ LYS 33 15.710 13.263 -0.567 123 H LEU 34 H LEU 34 8.909 10.639 -3.645 124 HA LEU 34 HA LEU 34 9.037 8.625 -1.672 125 HB2 LEU 34 1HB LEU 34 7.263 10.291 -1.678 126 HB3 LEU 34 2HB LEU 34 6.659 9.677 -3.207 127 HG LEU 34 HG LEU 34 6.157 7.512 -2.082 128 HD11 LEU 34 1HD1 LEU 34 7.738 7.663 -0.252 129 HD12 LEU 34 2HD1 LEU 34 6.096 7.440 0.350 130 HD13 LEU 34 3HD1 LEU 34 6.850 9.032 0.418 131 HD21 LEU 34 1HD2 LEU 34 4.218 8.365 -0.792 132 HD22 LEU 34 2HD2 LEU 34 4.374 9.055 -2.405 133 HD23 LEU 34 3HD2 LEU 34 4.859 9.996 -0.995 134 H ILE 35 H ILE 35 7.932 8.582 -5.031 135 HA ILE 35 HA ILE 35 7.160 5.879 -5.111 136 HB ILE 35 HB ILE 35 8.153 7.636 -7.364 137 HG12 ILE 35 1HG1 ILE 35 5.346 7.008 -6.418 138 HG13 ILE 35 2HG1 ILE 35 6.179 8.547 -6.226 139 HG21 ILE 35 1HG2 ILE 35 8.286 5.282 -7.966 140 HG22 ILE 35 2HG2 ILE 35 6.986 6.076 -8.853 141 HG23 ILE 35 3HG2 ILE 35 6.609 5.045 -7.472 142 HD11 ILE 35 1HD1 ILE 35 5.411 7.279 -8.843 143 HD12 ILE 35 2HD1 ILE 35 6.230 8.828 -8.644 144 HD13 ILE 35 3HD1 ILE 35 4.581 8.620 -8.054 145 H GLU 36 H GLU 36 10.256 7.463 -5.470 146 HA GLU 36 HA GLU 36 11.648 5.202 -6.491 147 HB2 GLU 36 1HB GLU 36 12.654 7.671 -5.073 148 HB3 GLU 36 2HB GLU 36 13.692 6.461 -5.815 149 HG2 GLU 36 1HG GLU 36 11.653 8.153 -7.242 150 HG3 GLU 36 2HG GLU 36 13.399 8.383 -7.270 151 H GLU 37 H GLU 37 11.794 6.722 -3.252 152 HA GLU 37 HA GLU 37 13.381 4.750 -2.095 153 HB2 GLU 37 1HB GLU 37 11.443 6.710 -0.897 154 HB3 GLU 37 2HB GLU 37 12.353 5.586 0.102 155 HG2 GLU 37 1HG GLU 37 13.505 7.663 -1.745 156 HG3 GLU 37 2HG GLU 37 13.449 7.739 0.016 157 H ALA 38 H ALA 38 9.847 4.954 -2.263 158 HA ALA 38 HA ALA 38 9.314 2.775 -0.561 159 HB1 ALA 38 1HB ALA 38 7.652 3.784 -2.867 160 HB2 ALA 38 2HB ALA 38 7.606 4.408 -1.217 161 HB3 ALA 38 3HB ALA 38 7.091 2.754 -1.551 162 H ARG 39 H ARG 39 9.910 2.952 -4.043 163 HA ARG 39 HA ARG 39 9.305 0.175 -4.455 164 HB2 ARG 39 1HB ARG 39 9.047 1.999 -6.193 165 HB3 ARG 39 2HB ARG 39 10.800 1.987 -6.344 166 HG2 ARG 39 1HG ARG 39 10.715 -0.386 -6.970 167 HG3 ARG 39 2HG ARG 39 8.955 -0.335 -6.866 168 HD2 ARG 39 1HD ARG 39 9.001 1.484 -8.588 169 HD3 ARG 39 2HD ARG 39 10.727 1.172 -8.777 170 HE ARG 39 HE ARG 39 8.786 -0.998 -9.173 171 HH11 ARG 39 1HH1 ARG 39 11.281 1.104 -10.446 172 HH12 ARG 39 2HH1 ARG 39 11.451 0.217 -11.925 173 HH21 ARG 39 1HH2 ARG 39 9.002 -2.161 -11.111 174 HH22 ARG 39 2HH2 ARG 39 10.150 -1.645 -12.307 175 H LYS 40 H LYS 40 12.187 2.087 -3.885 176 HA LYS 40 HA LYS 40 14.076 0.094 -4.546 177 HB2 LYS 40 1HB LYS 40 14.307 2.357 -2.558 178 HB3 LYS 40 2HB LYS 40 15.651 1.390 -3.147 179 HG2 LYS 40 1HG LYS 40 15.111 2.165 -5.452 180 HG3 LYS 40 2HG LYS 40 13.912 3.250 -4.748 181 HD2 LYS 40 1HD LYS 40 15.893 4.520 -5.105 182 HD3 LYS 40 2HD LYS 40 15.759 4.240 -3.368 183 HE2 LYS 40 1HE LYS 40 18.051 3.913 -4.136 184 HE3 LYS 40 2HE LYS 40 17.363 2.407 -3.533 185 HZ1 LYS 40 1HZ LYS 40 18.606 2.116 -5.605 186 HZ2 LYS 40 2HZ LYS 40 17.542 3.163 -6.398 187 HZ3 LYS 40 3HZ LYS 40 16.981 1.691 -5.784 188 H MET 41 H MET 41 12.256 0.790 -1.631 189 HA MET 41 HA MET 41 13.564 -1.139 -0.003 190 HB2 MET 41 1HB MET 41 10.833 0.135 0.199 191 HB3 MET 41 2HB MET 41 11.486 -0.958 1.413 192 HG2 MET 41 1HG MET 41 12.717 1.657 0.576 193 HG3 MET 41 2HG MET 41 11.750 1.396 2.025 194 HE1 MET 41 1HE MET 41 12.499 -0.109 4.056 195 HE2 MET 41 2HE MET 41 14.021 -0.996 4.123 196 HE3 MET 41 3HE MET 41 12.762 -1.491 2.991 197 H ALA 42 H ALA 42 10.747 -1.181 -2.105 198 HA ALA 42 HA ALA 42 9.876 -3.793 -1.550 199 HB1 ALA 42 1HB ALA 42 9.603 -2.211 -4.103 200 HB2 ALA 42 2HB ALA 42 8.493 -2.168 -2.732 201 HB3 ALA 42 3HB ALA 42 8.674 -3.647 -3.675 202 H GLU 43 H GLU 43 12.091 -2.521 -3.993 203 HA GLU 43 HA GLU 43 12.715 -4.983 -5.216 204 HB2 GLU 43 1HB GLU 43 13.182 -2.746 -6.188 205 HB3 GLU 43 2HB GLU 43 14.422 -2.497 -4.969 206 HG2 GLU 43 1HG GLU 43 15.634 -4.456 -5.867 207 HG3 GLU 43 2HG GLU 43 14.424 -4.573 -7.145 208 H LYS 44 H LYS 44 13.763 -3.485 -2.284 209 HA LYS 44 HA LYS 44 16.222 -4.917 -2.026 210 HB2 LYS 44 1HB LYS 44 15.478 -2.650 -0.957 211 HB3 LYS 44 2HB LYS 44 14.778 -3.668 0.288 212 HG2 LYS 44 1HG LYS 44 17.672 -3.809 -0.517 213 HG3 LYS 44 2HG LYS 44 17.072 -2.759 0.763 214 HD2 LYS 44 1HD LYS 44 16.740 -5.758 0.710 215 HD3 LYS 44 2HD LYS 44 18.016 -4.908 1.583 216 HE2 LYS 44 1HE LYS 44 16.263 -3.698 2.855 217 HE3 LYS 44 2HE LYS 44 15.045 -4.682 2.047 218 HZ1 LYS 44 1HZ LYS 44 16.086 -6.657 3.006 219 HZ2 LYS 44 2HZ LYS 44 15.574 -5.588 4.207 220 HZ3 LYS 44 3HZ LYS 44 17.210 -5.686 3.807 221 H ALA 45 H ALA 45 13.121 -5.121 -0.234 222 HA ALA 45 HA ALA 45 14.070 -7.656 0.890 223 HB1 ALA 45 1HB ALA 45 11.786 -5.892 1.741 224 HB2 ALA 45 2HB ALA 45 13.371 -5.998 2.501 225 HB3 ALA 45 3HB ALA 45 12.278 -7.381 2.545 226 H ASN 46 H ASN 46 12.797 -7.169 -1.838 227 HA ASN 46 HA ASN 46 11.613 -8.411 -3.310 228 HB2 ASN 46 1HB ASN 46 12.786 -10.298 -2.151 229 HB3 ASN 46 2HB ASN 46 11.383 -10.468 -1.103 230 HD21 ASN 46 1HD2 ASN 46 12.629 -10.877 -4.315 231 HD22 ASN 46 2HD2 ASN 46 11.350 -11.880 -4.902 232 H LEU 47 H LEU 47 10.081 -6.562 -2.750 233 HA LEU 47 HA LEU 47 7.500 -7.758 -1.968 234 HB2 LEU 47 1HB LEU 47 8.325 -4.857 -1.795 235 HB3 LEU 47 2HB LEU 47 6.717 -5.458 -1.476 236 HG LEU 47 HG LEU 47 7.600 -5.117 0.637 237 HD11 LEU 47 1HD1 LEU 47 8.189 -8.005 0.046 238 HD12 LEU 47 2HD1 LEU 47 6.611 -7.327 0.440 239 HD13 LEU 47 3HD1 LEU 47 7.905 -7.302 1.639 240 HD21 LEU 47 1HD2 LEU 47 9.865 -4.635 0.139 241 HD22 LEU 47 2HD2 LEU 47 10.171 -6.290 -0.382 242 HD23 LEU 47 3HD2 LEU 47 9.853 -5.943 1.317 243 H GLU 48 H GLU 48 5.790 -7.496 -3.346 244 HA GLU 48 HA GLU 48 6.410 -6.575 -6.032 245 HB2 GLU 48 1HB GLU 48 5.185 -8.714 -5.612 246 HB3 GLU 48 2HB GLU 48 3.863 -7.780 -4.930 247 HG2 GLU 48 1HG GLU 48 3.503 -6.693 -7.063 248 HG3 GLU 48 2HG GLU 48 4.860 -7.577 -7.760 249 H LEU 49 H LEU 49 6.312 -4.390 -6.228 250 HA LEU 49 HA LEU 49 4.187 -3.003 -4.756 251 HB2 LEU 49 1HB LEU 49 6.548 -2.401 -4.250 252 HB3 LEU 49 2HB LEU 49 6.730 -1.856 -5.904 253 HG LEU 49 HG LEU 49 4.535 -0.637 -4.308 254 HD11 LEU 49 1HD1 LEU 49 6.383 -0.655 -2.723 255 HD12 LEU 49 2HD1 LEU 49 6.081 0.978 -3.316 256 HD13 LEU 49 3HD1 LEU 49 7.445 0.053 -3.938 257 HD21 LEU 49 1HD2 LEU 49 6.549 0.445 -6.275 258 HD22 LEU 49 2HD2 LEU 49 5.202 1.342 -5.573 259 HD23 LEU 49 3HD2 LEU 49 4.890 -0.025 -6.644 260 H ILE 50 H ILE 50 2.694 -1.822 -5.751 261 HA ILE 50 HA ILE 50 2.918 -1.422 -8.665 262 HB ILE 50 HB ILE 50 0.436 -2.166 -7.095 263 HG12 ILE 50 1HG1 ILE 50 0.419 -3.999 -8.957 264 HG13 ILE 50 2HG1 ILE 50 2.130 -3.615 -9.109 265 HG21 ILE 50 1HG2 ILE 50 -0.773 -2.047 -9.226 266 HG22 ILE 50 2HG2 ILE 50 0.676 -1.405 -10.000 267 HG23 ILE 50 3HG2 ILE 50 -0.130 -0.480 -8.733 268 HD11 ILE 50 1HD1 ILE 50 2.458 -4.175 -6.756 269 HD12 ILE 50 2HD1 ILE 50 1.782 -5.527 -7.663 270 HD13 ILE 50 3HD1 ILE 50 0.746 -4.563 -6.611 271 H THR 51 H THR 51 2.546 0.618 -9.363 272 HA THR 51 HA THR 51 1.828 2.653 -7.399 273 HB THR 51 HB THR 51 2.360 4.234 -9.324 274 HG1 THR 51 HG1 THR 51 2.125 2.466 -10.928 275 HG21 THR 51 1HG2 THR 51 4.528 2.351 -8.386 276 HG22 THR 51 2HG2 THR 51 3.959 3.787 -7.534 277 HG23 THR 51 3HG2 THR 51 4.788 3.951 -9.082 278 H VAL 52 H VAL 52 -0.126 3.605 -7.309 279 HA VAL 52 HA VAL 52 -2.063 2.909 -9.425 280 HB VAL 52 HB VAL 52 -3.804 2.957 -7.815 281 HG11 VAL 52 1HG1 VAL 52 -2.484 0.917 -7.777 282 HG12 VAL 52 2HG1 VAL 52 -3.120 1.287 -6.175 283 HG13 VAL 52 3HG1 VAL 52 -1.427 1.612 -6.548 284 HG21 VAL 52 1HG2 VAL 52 -3.542 3.691 -5.530 285 HG22 VAL 52 2HG2 VAL 52 -3.047 4.983 -6.634 286 HG23 VAL 52 3HG2 VAL 52 -1.830 4.007 -5.799 287 HA PRO 53 HA PRO 53 -3.199 7.239 -10.131 288 HB2 PRO 53 1HB PRO 53 -5.923 7.056 -9.535 289 HB3 PRO 53 2HB PRO 53 -5.193 6.810 -11.122 290 HG2 PRO 53 1HG PRO 53 -6.027 4.797 -9.085 291 HG3 PRO 53 2HG PRO 53 -6.134 4.720 -10.854 292 HD2 PRO 53 1HD PRO 53 -4.250 3.374 -9.532 293 HD3 PRO 53 2HD PRO 53 -3.893 4.150 -11.086 294 H GLY 54 H GLY 54 -4.051 9.060 -8.998 295 HA2 GLY 54 1HA GLY 54 -3.007 9.192 -6.399 296 HA3 GLY 54 2HA GLY 54 -3.867 10.475 -7.223 297 H SER 55 H SER 55 -6.090 8.136 -7.293 298 HA SER 55 HA SER 55 -7.322 9.095 -4.835 299 HB2 SER 55 1HB SER 55 -8.468 7.379 -7.042 300 HB3 SER 55 2HB SER 55 -9.349 7.967 -5.627 301 HG SER 55 HG SER 55 -8.491 9.330 -7.906 302 HA PRO 56 HA PRO 56 -6.132 5.514 -2.584 303 HB2 PRO 56 1HB PRO 56 -7.750 5.854 -0.449 304 HB3 PRO 56 2HB PRO 56 -6.352 6.885 -0.767 305 HG2 PRO 56 1HG PRO 56 -9.231 7.402 -1.407 306 HG3 PRO 56 2HG PRO 56 -8.059 8.471 -0.608 307 HD2 PRO 56 1HD PRO 56 -8.617 8.712 -3.222 308 HD3 PRO 56 2HD PRO 56 -6.977 8.980 -2.595 309 H GLU 57 H GLU 57 -9.461 6.104 -3.514 310 HA GLU 57 HA GLU 57 -10.584 3.699 -2.586 311 HB2 GLU 57 1HB GLU 57 -12.412 4.121 -4.115 312 HB3 GLU 57 2HB GLU 57 -11.923 5.628 -3.360 313 HG2 GLU 57 1HG GLU 57 -10.798 6.336 -5.340 314 HG3 GLU 57 2HG GLU 57 -11.027 4.759 -6.093 315 H GLU 58 H GLU 58 -8.891 4.506 -5.557 316 HA GLU 58 HA GLU 58 -9.369 2.033 -6.875 317 HB2 GLU 58 1HB GLU 58 -7.140 4.039 -7.284 318 HB3 GLU 58 2HB GLU 58 -7.559 2.739 -8.390 319 HG2 GLU 58 1HG GLU 58 -9.323 5.062 -7.652 320 HG3 GLU 58 2HG GLU 58 -8.414 4.888 -9.152 321 H ALA 59 H ALA 59 -6.844 3.291 -4.791 322 HA ALA 59 HA ALA 59 -4.955 1.254 -5.061 323 HB1 ALA 59 1HB ALA 59 -5.497 2.863 -2.572 324 HB2 ALA 59 2HB ALA 59 -4.574 3.448 -3.953 325 HB3 ALA 59 3HB ALA 59 -3.988 2.071 -3.023 326 H ILE 60 H ILE 60 -7.652 1.595 -2.775 327 HA ILE 60 HA ILE 60 -7.042 -0.731 -1.286 328 HB ILE 60 HB ILE 60 -9.794 0.466 -1.608 329 HG12 ILE 60 1HG1 ILE 60 -8.248 2.251 -0.991 330 HG13 ILE 60 2HG1 ILE 60 -9.263 1.832 0.384 331 HG21 ILE 60 1HG2 ILE 60 -9.739 -1.704 -0.529 332 HG22 ILE 60 2HG2 ILE 60 -10.139 -0.449 0.644 333 HG23 ILE 60 3HG2 ILE 60 -8.514 -1.132 0.604 334 HD11 ILE 60 1HD1 ILE 60 -7.426 0.527 1.331 335 HD12 ILE 60 2HD1 ILE 60 -6.974 2.211 1.073 336 HD13 ILE 60 3HD1 ILE 60 -6.413 0.968 -0.044 337 H ARG 61 H ARG 61 -9.354 -0.146 -3.923 338 HA ARG 61 HA ARG 61 -10.419 -2.744 -3.995 339 HB2 ARG 61 1HB ARG 61 -10.246 -0.577 -6.078 340 HB3 ARG 61 2HB ARG 61 -11.036 -2.116 -6.390 341 HG2 ARG 61 1HG ARG 61 -12.553 -1.681 -4.488 342 HG3 ARG 61 2HG ARG 61 -11.798 -0.097 -4.293 343 HD2 ARG 61 1HD ARG 61 -12.552 0.622 -6.420 344 HD3 ARG 61 2HD ARG 61 -13.036 -1.010 -6.873 345 HE ARG 61 HE ARG 61 -14.408 0.049 -4.566 346 HH11 ARG 61 1HH1 ARG 61 -14.386 -0.227 -8.048 347 HH12 ARG 61 2HH1 ARG 61 -16.106 -0.046 -8.206 348 HH21 ARG 61 1HH2 ARG 61 -16.672 0.294 -4.760 349 HH22 ARG 61 2HH2 ARG 61 -17.408 0.252 -6.331 350 H LEU 62 H LEU 62 -7.699 -1.286 -5.705 351 HA LEU 62 HA LEU 62 -7.068 -3.469 -7.358 352 HB2 LEU 62 1HB LEU 62 -6.165 -1.010 -7.274 353 HB3 LEU 62 2HB LEU 62 -4.979 -1.671 -6.176 354 HG LEU 62 HG LEU 62 -4.031 -1.520 -8.384 355 HD11 LEU 62 1HD1 LEU 62 -3.361 -3.822 -8.804 356 HD12 LEU 62 2HD1 LEU 62 -4.643 -4.392 -7.732 357 HD13 LEU 62 3HD1 LEU 62 -3.312 -3.432 -7.085 358 HD21 LEU 62 1HD2 LEU 62 -6.104 -1.531 -9.662 359 HD22 LEU 62 2HD2 LEU 62 -6.321 -3.246 -9.307 360 HD23 LEU 62 3HD2 LEU 62 -4.957 -2.716 -10.291 361 H ALA 63 H ALA 63 -5.851 -2.544 -4.136 362 HA ALA 63 HA ALA 63 -4.114 -4.744 -3.847 363 HB1 ALA 63 1HB ALA 63 -5.391 -3.045 -1.720 364 HB2 ALA 63 2HB ALA 63 -3.854 -2.738 -2.529 365 HB3 ALA 63 3HB ALA 63 -4.033 -4.146 -1.484 366 H GLN 64 H GLN 64 -7.505 -4.301 -3.052 367 HA GLN 64 HA GLN 64 -7.901 -6.695 -1.636 368 HB2 GLN 64 1HB GLN 64 -9.576 -4.908 -1.727 369 HB3 GLN 64 2HB GLN 64 -9.802 -5.190 -3.447 370 HG2 GLN 64 1HG GLN 64 -10.764 -7.336 -3.037 371 HG3 GLN 64 2HG GLN 64 -10.362 -7.242 -1.322 372 HE21 GLN 64 1HE2 GLN 64 -12.444 -6.048 -3.848 373 HE22 GLN 64 2HE2 GLN 64 -13.643 -5.366 -2.805 374 H GLU 65 H GLU 65 -7.938 -5.952 -5.087 375 HA GLU 65 HA GLU 65 -8.544 -8.608 -5.924 376 HB2 GLU 65 1HB GLU 65 -7.383 -6.225 -7.354 377 HB3 GLU 65 2HB GLU 65 -7.623 -7.774 -8.148 378 HG2 GLU 65 1HG GLU 65 -10.029 -7.639 -7.529 379 HG3 GLU 65 2HG GLU 65 -9.726 -6.006 -6.938 380 H ILE 66 H ILE 66 -5.558 -6.832 -5.301 381 HA ILE 66 HA ILE 66 -3.639 -8.544 -6.258 382 HB ILE 66 HB ILE 66 -3.678 -7.091 -3.612 383 HG12 ILE 66 1HG1 ILE 66 -3.819 -5.668 -5.636 384 HG13 ILE 66 2HG1 ILE 66 -2.332 -5.413 -4.727 385 HG21 ILE 66 1HG2 ILE 66 -1.308 -8.312 -5.010 386 HG22 ILE 66 2HG2 ILE 66 -2.091 -8.960 -3.569 387 HG23 ILE 66 3HG2 ILE 66 -1.285 -7.394 -3.504 388 HD11 ILE 66 1HD1 ILE 66 -1.883 -5.420 -7.081 389 HD12 ILE 66 2HD1 ILE 66 -2.636 -7.004 -7.256 390 HD13 ILE 66 3HD1 ILE 66 -1.144 -6.834 -6.332 391 H ALA 67 H ALA 67 -5.092 -8.690 -3.019 392 HA ALA 67 HA ALA 67 -3.881 -11.146 -2.319 393 HB1 ALA 67 1HB ALA 67 -5.445 -11.116 -0.420 394 HB2 ALA 67 2HB ALA 67 -6.298 -9.765 -1.168 395 HB3 ALA 67 3HB ALA 67 -4.625 -9.571 -0.642 396 H GLU 68 H GLU 68 -6.990 -10.309 -3.729 397 HA GLU 68 HA GLU 68 -8.239 -12.806 -3.428 398 HB2 GLU 68 1HB GLU 68 -9.380 -10.657 -3.975 399 HB3 GLU 68 2HB GLU 68 -8.719 -10.763 -5.599 400 HG2 GLU 68 1HG GLU 68 -9.946 -12.814 -5.992 401 HG3 GLU 68 2HG GLU 68 -10.571 -12.774 -4.345 402 H LYS 69 H LYS 69 -6.044 -11.571 -5.897 403 HA LYS 69 HA LYS 69 -6.393 -14.056 -7.420 404 HB2 LYS 69 1HB LYS 69 -4.758 -11.659 -8.243 405 HB3 LYS 69 2HB LYS 69 -5.301 -12.987 -9.257 406 HG2 LYS 69 1HG LYS 69 -7.682 -12.127 -8.536 407 HG3 LYS 69 2HG LYS 69 -6.799 -10.626 -8.251 408 HD2 LYS 69 1HD LYS 69 -5.844 -10.962 -10.606 409 HD3 LYS 69 2HD LYS 69 -7.132 -12.145 -10.822 410 HE2 LYS 69 1HE LYS 69 -7.956 -10.103 -11.688 411 HE3 LYS 69 2HE LYS 69 -8.745 -10.331 -10.127 412 HZ1 LYS 69 1HZ LYS 69 -6.483 -8.522 -10.756 413 HZ2 LYS 69 2HZ LYS 69 -6.973 -8.874 -9.182 414 HZ3 LYS 69 3HZ LYS 69 -8.039 -8.083 -10.237 415 H ALA 70 H ALA 70 -4.648 -13.225 -4.877 416 HA ALA 70 HA ALA 70 -2.020 -14.046 -5.808 417 HB1 ALA 70 1HB ALA 70 -1.271 -13.599 -3.553 418 HB2 ALA 70 2HB ALA 70 -2.938 -13.403 -3.014 419 HB3 ALA 70 3HB ALA 70 -2.236 -12.245 -4.146 420 HA PRO 71 HA PRO 71 -2.804 -18.261 -4.587 421 HB2 PRO 71 1HB PRO 71 -0.452 -19.296 -5.379 422 HB3 PRO 71 2HB PRO 71 -1.695 -18.805 -6.533 423 HG2 PRO 71 1HG PRO 71 0.830 -17.429 -5.767 424 HG3 PRO 71 2HG PRO 71 0.013 -17.491 -7.337 425 HD2 PRO 71 1HD PRO 71 -0.105 -15.378 -5.513 426 HD3 PRO 71 2HD PRO 71 -1.211 -15.639 -6.874 427 H GLY 72 H GLY 72 -2.861 -18.356 -2.386 428 HA2 GLY 72 1HA GLY 72 -1.821 -19.542 -0.579 429 HA3 GLY 72 2HA GLY 72 -0.271 -18.905 -1.106 430 HA PRO 73 HA PRO 73 -1.677 -16.387 2.541 431 HB2 PRO 73 1HB PRO 73 1.204 -16.550 3.158 432 HB3 PRO 73 2HB PRO 73 -0.186 -16.884 4.196 433 HG2 PRO 73 1HG PRO 73 1.357 -18.862 3.271 434 HG3 PRO 73 2HG PRO 73 -0.397 -19.061 3.438 435 HD2 PRO 73 1HD PRO 73 1.218 -18.500 0.973 436 HD3 PRO 73 2HD PRO 73 -0.146 -19.618 1.194 437 H VAL 74 H VAL 74 -1.866 -14.287 2.117 438 HA VAL 74 HA VAL 74 0.366 -12.886 0.837 439 HB VAL 74 HB VAL 74 -1.094 -13.552 -0.983 440 HG11 VAL 74 1HG1 VAL 74 -3.295 -12.138 0.515 441 HG12 VAL 74 2HG1 VAL 74 -3.151 -13.878 0.275 442 HG13 VAL 74 3HG1 VAL 74 -3.426 -12.818 -1.105 443 HG21 VAL 74 1HG2 VAL 74 -1.404 -10.618 -0.351 444 HG22 VAL 74 2HG2 VAL 74 -1.615 -11.355 -1.939 445 HG23 VAL 74 3HG2 VAL 74 -0.030 -11.368 -1.165 446 H LYS 75 H LYS 75 0.601 -10.787 1.398 447 HA LYS 75 HA LYS 75 -1.573 -9.413 2.775 448 HB2 LYS 75 1HB LYS 75 0.012 -8.514 4.467 449 HB3 LYS 75 2HB LYS 75 -0.247 -10.245 4.614 450 HG2 LYS 75 1HG LYS 75 1.878 -10.668 3.497 451 HG3 LYS 75 2HG LYS 75 2.137 -8.930 3.326 452 HD2 LYS 75 1HD LYS 75 1.813 -10.371 5.958 453 HD3 LYS 75 2HD LYS 75 3.363 -9.927 5.242 454 HE2 LYS 75 1HE LYS 75 2.811 -7.588 5.376 455 HE3 LYS 75 2HE LYS 75 1.178 -7.964 5.923 456 HZ1 LYS 75 1HZ LYS 75 3.690 -8.544 7.407 457 HZ2 LYS 75 2HZ LYS 75 2.129 -8.946 7.922 458 HZ3 LYS 75 3HZ LYS 75 2.570 -7.325 7.770 459 H VAL 76 H VAL 76 -1.690 -7.266 2.276 460 HA VAL 76 HA VAL 76 0.455 -6.209 0.573 461 HB VAL 76 HB VAL 76 -1.278 -6.920 -0.937 462 HG11 VAL 76 1HG1 VAL 76 -3.191 -5.210 0.636 463 HG12 VAL 76 2HG1 VAL 76 -3.136 -6.972 0.655 464 HG13 VAL 76 3HG1 VAL 76 -3.559 -6.119 -0.829 465 HG21 VAL 76 1HG2 VAL 76 -1.371 -3.925 -0.588 466 HG22 VAL 76 2HG2 VAL 76 -1.829 -4.810 -2.043 467 HG23 VAL 76 3HG2 VAL 76 -0.155 -4.831 -1.489 468 H LEU 77 H LEU 77 1.074 -4.204 0.975 469 HA LEU 77 HA LEU 77 -0.366 -2.711 3.055 470 HB2 LEU 77 1HB LEU 77 1.946 -3.238 3.588 471 HB3 LEU 77 2HB LEU 77 2.487 -2.527 2.081 472 HG LEU 77 HG LEU 77 1.712 -0.312 2.875 473 HD11 LEU 77 1HD1 LEU 77 -0.025 -1.050 4.409 474 HD12 LEU 77 2HD1 LEU 77 1.146 -0.020 5.231 475 HD13 LEU 77 3HD1 LEU 77 1.193 -1.768 5.463 476 HD21 LEU 77 1HD2 LEU 77 3.501 0.023 4.504 477 HD22 LEU 77 2HD2 LEU 77 4.038 -0.982 3.158 478 HD23 LEU 77 3HD2 LEU 77 3.644 -1.721 4.710 479 H VAL 78 H VAL 78 -1.475 -0.973 2.481 480 HA VAL 78 HA VAL 78 -0.942 0.267 -0.128 481 HB VAL 78 HB VAL 78 -3.378 0.535 1.647 482 HG11 VAL 78 1HG1 VAL 78 -4.403 1.633 -0.289 483 HG12 VAL 78 2HG1 VAL 78 -2.876 1.517 -1.162 484 HG13 VAL 78 3HG1 VAL 78 -2.991 2.520 0.285 485 HG21 VAL 78 1HG2 VAL 78 -3.166 -1.709 0.698 486 HG22 VAL 78 2HG2 VAL 78 -3.011 -1.014 -0.915 487 HG23 VAL 78 3HG2 VAL 78 -4.519 -0.835 -0.019 488 H LEU 79 H LEU 79 0.134 2.104 -0.137 489 HA LEU 79 HA LEU 79 0.307 3.669 2.337 490 HB2 LEU 79 1HB LEU 79 1.991 3.732 -0.169 491 HB3 LEU 79 2HB LEU 79 2.199 4.829 1.179 492 HG LEU 79 HG LEU 79 3.874 3.196 1.411 493 HD11 LEU 79 1HD1 LEU 79 3.359 2.087 3.500 494 HD12 LEU 79 2HD1 LEU 79 1.638 2.359 3.242 495 HD13 LEU 79 3HD1 LEU 79 2.717 3.728 3.498 496 HD21 LEU 79 1HD2 LEU 79 3.026 1.538 -0.131 497 HD22 LEU 79 2HD2 LEU 79 1.760 1.093 1.012 498 HD23 LEU 79 3HD2 LEU 79 3.451 0.787 1.406 499 H ILE 80 H ILE 80 -1.332 5.051 2.438 500 HA ILE 80 HA ILE 80 -2.322 6.406 0.076 501 HB ILE 80 HB ILE 80 -3.111 6.823 2.966 502 HG12 ILE 80 1HG1 ILE 80 -4.422 5.086 0.858 503 HG13 ILE 80 2HG1 ILE 80 -3.462 4.483 2.205 504 HG21 ILE 80 1HG2 ILE 80 -4.469 7.580 0.381 505 HG22 ILE 80 2HG2 ILE 80 -3.723 8.683 1.538 506 HG23 ILE 80 3HG2 ILE 80 -5.166 7.774 1.990 507 HD11 ILE 80 1HD1 ILE 80 -5.849 4.273 2.625 508 HD12 ILE 80 2HD1 ILE 80 -6.040 6.017 2.440 509 HD13 ILE 80 3HD1 ILE 80 -5.088 5.370 3.777 510 H THR 81 H THR 81 -1.446 8.213 -0.653 511 HA THR 81 HA THR 81 0.593 9.527 0.903 512 HB THR 81 HB THR 81 0.990 10.824 -1.171 513 HG1 THR 81 HG1 THR 81 -1.383 10.502 -1.782 514 HG21 THR 81 1HG2 THR 81 0.782 7.826 -1.450 515 HG22 THR 81 2HG2 THR 81 2.178 8.752 -0.902 516 HG23 THR 81 3HG2 THR 81 1.647 8.864 -2.579 517 H GLY 82 H GLY 82 0.197 11.161 2.205 518 HA2 GLY 82 1HA GLY 82 -0.487 13.337 2.722 519 HA3 GLY 82 2HA GLY 82 -1.564 13.307 1.334 520 H SER 83 H SER 83 -2.781 14.384 3.256 521 HA SER 83 HA SER 83 -4.047 12.475 5.022 522 HB2 SER 83 1HB SER 83 -3.486 14.690 5.886 523 HB3 SER 83 2HB SER 83 -4.462 15.449 4.632 524 HG SER 83 HG SER 83 -6.201 15.056 5.742 525 H ALA 84 H ALA 84 -5.959 11.522 4.667 526 HA ALA 84 HA ALA 84 -7.251 11.873 2.126 527 HB1 ALA 84 1HB ALA 84 -7.025 9.657 3.138 528 HB2 ALA 84 2HB ALA 84 -8.716 10.064 2.852 529 HB3 ALA 84 3HB ALA 84 -8.049 10.164 4.481 530 H ASP 85 H ASP 85 -8.628 13.452 1.741 531 HA ASP 85 HA ASP 85 -9.936 14.957 3.757 532 HB2 ASP 85 1HB ASP 85 -10.087 14.861 0.766 533 HB3 ASP 85 2HB ASP 85 -11.302 15.761 1.662 534 HA PRO 86 HA PRO 86 -13.660 13.174 5.056 535 HB2 PRO 86 1HB PRO 86 -15.097 15.012 3.171 536 HB3 PRO 86 2HB PRO 86 -15.500 14.580 4.838 537 HG2 PRO 86 1HG PRO 86 -14.253 16.865 4.306 538 HG3 PRO 86 2HG PRO 86 -13.813 15.901 5.728 539 HD2 PRO 86 1HD PRO 86 -12.325 16.330 3.211 540 HD3 PRO 86 2HD PRO 86 -11.721 15.894 4.820 541 H ASP 87 H ASP 87 -14.049 13.807 1.533 542 HA ASP 87 HA ASP 87 -15.873 11.645 1.213 543 HB2 ASP 87 1HB ASP 87 -15.764 13.610 -0.320 544 HB3 ASP 87 2HB ASP 87 -14.238 12.991 -0.942 545 H GLU 88 H GLU 88 -12.439 12.027 0.411 546 HA GLU 88 HA GLU 88 -11.987 9.467 -0.640 547 HB2 GLU 88 1HB GLU 88 -9.989 11.043 0.990 548 HB3 GLU 88 2HB GLU 88 -9.652 9.870 -0.270 549 HG2 GLU 88 1HG GLU 88 -10.942 12.556 -0.685 550 HG3 GLU 88 2HG GLU 88 -9.257 12.158 -1.013 551 H LYS 89 H LYS 89 -11.818 10.738 2.631 552 HA LYS 89 HA LYS 89 -10.862 8.448 3.940 553 HB2 LYS 89 1HB LYS 89 -11.129 10.897 4.760 554 HB3 LYS 89 2HB LYS 89 -12.762 10.421 5.191 555 HG2 LYS 89 1HG LYS 89 -10.359 8.930 6.190 556 HG3 LYS 89 2HG LYS 89 -10.986 10.357 7.009 557 HD2 LYS 89 1HD LYS 89 -13.172 9.234 7.227 558 HD3 LYS 89 2HD LYS 89 -12.488 7.795 6.471 559 HE2 LYS 89 1HE LYS 89 -12.496 7.521 8.869 560 HE3 LYS 89 2HE LYS 89 -10.835 7.662 8.298 561 HZ1 LYS 89 1HZ LYS 89 -10.843 9.990 8.975 562 HZ2 LYS 89 2HZ LYS 89 -11.185 8.978 10.284 563 HZ3 LYS 89 3HZ LYS 89 -12.432 9.839 9.538 564 H THR 90 H THR 90 -14.127 9.518 3.127 565 HA THR 90 HA THR 90 -15.524 7.488 4.498 566 HB THR 90 HB THR 90 -16.370 8.988 2.008 567 HG1 THR 90 HG1 THR 90 -15.970 10.468 3.629 568 HG21 THR 90 1HG2 THR 90 -18.653 8.488 2.746 569 HG22 THR 90 2HG2 THR 90 -18.018 7.549 4.095 570 HG23 THR 90 3HG2 THR 90 -17.749 7.006 2.441 571 H LYS 91 H LYS 91 -14.221 7.686 1.215 572 HA LYS 91 HA LYS 91 -15.227 5.180 0.340 573 HB2 LYS 91 1HB LYS 91 -12.813 6.731 -0.620 574 HB3 LYS 91 2HB LYS 91 -13.541 5.370 -1.460 575 HG2 LYS 91 1HG LYS 91 -14.893 7.999 -0.896 576 HG3 LYS 91 2HG LYS 91 -14.186 7.512 -2.436 577 HD2 LYS 91 1HD LYS 91 -15.763 5.665 -2.594 578 HD3 LYS 91 2HD LYS 91 -16.453 6.106 -1.031 579 HE2 LYS 91 1HE LYS 91 -17.100 8.284 -1.951 580 HE3 LYS 91 2HE LYS 91 -16.445 7.811 -3.515 581 HZ1 LYS 91 1HZ LYS 91 -18.067 6.034 -3.625 582 HZ2 LYS 91 2HZ LYS 91 -18.843 7.520 -3.415 583 HZ3 LYS 91 3HZ LYS 91 -18.684 6.461 -2.108 584 H ALA 92 H ALA 92 -12.242 6.200 1.893 585 HA ALA 92 HA ALA 92 -10.892 3.726 1.517 586 HB1 ALA 92 1HB ALA 92 -10.249 5.963 3.434 587 HB2 ALA 92 2HB ALA 92 -9.715 5.874 1.756 588 HB3 ALA 92 3HB ALA 92 -9.161 4.671 2.923 589 H LYS 93 H LYS 93 -12.619 5.209 4.254 590 HA LYS 93 HA LYS 93 -11.764 3.335 6.152 591 HB2 LYS 93 1HB LYS 93 -13.419 4.229 7.629 592 HB3 LYS 93 2HB LYS 93 -12.756 5.555 6.690 593 HG2 LYS 93 1HG LYS 93 -14.755 5.401 5.203 594 HG3 LYS 93 2HG LYS 93 -15.427 4.218 6.328 595 HD2 LYS 93 1HD LYS 93 -15.174 5.928 8.141 596 HD3 LYS 93 2HD LYS 93 -14.727 7.096 6.897 597 HE2 LYS 93 1HE LYS 93 -17.031 7.420 7.306 598 HE3 LYS 93 2HE LYS 93 -16.922 6.557 5.774 599 HZ1 LYS 93 1HZ LYS 93 -17.370 4.490 6.997 600 HZ2 LYS 93 2HZ LYS 93 -18.638 5.598 7.121 601 HZ3 LYS 93 3HZ LYS 93 -17.578 5.379 8.420 602 H LYS 94 H LYS 94 -14.471 3.291 3.934 603 HA LYS 94 HA LYS 94 -15.672 0.954 5.106 604 HB2 LYS 94 1HB LYS 94 -17.055 2.597 3.937 605 HB3 LYS 94 2HB LYS 94 -16.155 2.326 2.453 606 HG2 LYS 94 1HG LYS 94 -18.239 1.174 2.304 607 HG3 LYS 94 2HG LYS 94 -16.955 -0.022 2.454 608 HD2 LYS 94 1HD LYS 94 -17.458 -0.247 4.845 609 HD3 LYS 94 2HD LYS 94 -18.752 0.941 4.680 610 HE2 LYS 94 1HE LYS 94 -18.605 -1.729 3.281 611 HE3 LYS 94 2HE LYS 94 -19.623 -1.347 4.666 612 HZ1 LYS 94 1HZ LYS 94 -20.778 0.297 3.303 613 HZ2 LYS 94 2HZ LYS 94 -20.874 -1.242 2.611 614 HZ3 LYS 94 3HZ LYS 94 -19.806 -0.099 1.977 615 H ALA 95 H ALA 95 -13.866 1.654 2.121 616 HA ALA 95 HA ALA 95 -13.929 -0.979 1.126 617 HB1 ALA 95 1HB ALA 95 -12.229 -0.245 -0.445 618 HB2 ALA 95 2HB ALA 95 -11.924 1.192 0.529 619 HB3 ALA 95 3HB ALA 95 -13.479 0.986 -0.273 620 H ALA 96 H ALA 96 -11.528 0.755 3.080 621 HA ALA 96 HA ALA 96 -9.582 -1.299 3.043 622 HB1 ALA 96 1HB ALA 96 -9.988 0.854 5.116 623 HB2 ALA 96 2HB ALA 96 -9.044 1.018 3.635 624 HB3 ALA 96 3HB ALA 96 -8.531 -0.114 4.887 625 H GLU 97 H GLU 97 -12.420 -0.734 4.998 626 HA GLU 97 HA GLU 97 -11.772 -2.599 7.046 627 HB2 GLU 97 1HB GLU 97 -13.498 -0.802 7.261 628 HB3 GLU 97 2HB GLU 97 -14.517 -1.701 6.144 629 HG2 GLU 97 1HG GLU 97 -15.229 -2.123 8.394 630 HG3 GLU 97 2HG GLU 97 -14.525 -3.593 7.721 631 H GLU 98 H GLU 98 -13.691 -2.779 4.071 632 HA GLU 98 HA GLU 98 -14.436 -5.491 4.347 633 HB2 GLU 98 1HB GLU 98 -14.104 -3.904 1.792 634 HB3 GLU 98 2HB GLU 98 -15.031 -5.384 1.985 635 HG2 GLU 98 1HG GLU 98 -15.631 -2.708 3.225 636 HG3 GLU 98 2HG GLU 98 -16.513 -3.493 1.917 637 H ALA 99 H ALA 99 -11.816 -3.906 2.559 638 HA ALA 99 HA ALA 99 -10.754 -6.325 1.501 639 HB1 ALA 99 1HB ALA 99 -9.429 -3.630 1.746 640 HB2 ALA 99 2HB ALA 99 -10.477 -4.136 0.419 641 HB3 ALA 99 3HB ALA 99 -8.938 -4.953 0.688 642 H ARG 100 H ARG 100 -10.467 -4.821 4.549 643 HA ARG 100 HA ARG 100 -7.845 -5.441 5.280 644 HB2 ARG 100 1HB ARG 100 -9.297 -3.952 6.573 645 HB3 ARG 100 2HB ARG 100 -10.308 -5.314 7.024 646 HG2 ARG 100 1HG ARG 100 -8.615 -6.241 8.386 647 HG3 ARG 100 2HG ARG 100 -7.395 -5.147 7.732 648 HD2 ARG 100 1HD ARG 100 -9.817 -4.188 9.237 649 HD3 ARG 100 2HD ARG 100 -8.292 -4.578 10.029 650 HE ARG 100 HE ARG 100 -7.277 -2.823 8.617 651 HH11 ARG 100 1HH1 ARG 100 -10.749 -2.748 9.149 652 HH12 ARG 100 2HH1 ARG 100 -10.858 -1.031 8.919 653 HH21 ARG 100 1HH2 ARG 100 -7.442 -0.565 8.328 654 HH22 ARG 100 2HH2 ARG 100 -8.994 0.202 8.453 655 H LYS 101 H LYS 101 -10.659 -7.477 5.047 656 HA LYS 101 HA LYS 101 -9.787 -9.654 6.605 657 HB2 LYS 101 1HB LYS 101 -11.458 -9.766 4.087 658 HB3 LYS 101 2HB LYS 101 -11.369 -10.999 5.334 659 HG2 LYS 101 1HG LYS 101 -12.335 -9.352 6.934 660 HG3 LYS 101 2HG LYS 101 -12.565 -8.250 5.573 661 HD2 LYS 101 1HD LYS 101 -13.893 -10.063 4.454 662 HD3 LYS 101 2HD LYS 101 -13.800 -10.972 5.963 663 HE2 LYS 101 1HE LYS 101 -15.904 -9.793 5.858 664 HE3 LYS 101 2HE LYS 101 -14.898 -9.094 7.126 665 HZ1 LYS 101 1HZ LYS 101 -14.338 -7.280 5.696 666 HZ2 LYS 101 2HZ LYS 101 -16.023 -7.423 5.732 667 HZ3 LYS 101 3HZ LYS 101 -15.156 -7.977 4.389 668 H TRP 102 H TRP 102 -8.929 -8.544 3.438 669 HA TRP 102 HA TRP 102 -7.600 -11.031 2.716 670 HB2 TRP 102 1HB TRP 102 -7.823 -8.411 1.213 671 HB3 TRP 102 2HB TRP 102 -7.173 -9.916 0.570 672 HD1 TRP 102 HD1 TRP 102 -10.487 -8.252 1.523 673 HE1 TRP 102 HE1 TRP 102 -12.413 -9.556 0.426 674 HE3 TRP 102 HE3 TRP 102 -7.825 -12.210 -0.313 675 HZ2 TRP 102 HZ2 TRP 102 -12.753 -11.952 -1.029 676 HZ3 TRP 102 HZ3 TRP 102 -9.027 -13.967 -1.546 677 HH2 TRP 102 HH2 TRP 102 -11.440 -13.839 -1.894 678 H ASN 103 H ASN 103 -6.766 -9.068 4.896 679 HA ASN 103 HA ASN 103 -4.842 -8.401 5.879 680 HB2 ASN 103 1HB ASN 103 -3.550 -9.977 3.648 681 HB3 ASN 103 2HB ASN 103 -2.663 -9.256 4.985 682 HD21 ASN 103 1HD2 ASN 103 -2.925 -12.043 4.197 683 HD22 ASN 103 2HD2 ASN 103 -3.585 -12.868 5.572 684 H VAL 104 H VAL 104 -6.163 -6.819 3.792 685 HA VAL 104 HA VAL 104 -4.032 -5.285 2.588 686 HB VAL 104 HB VAL 104 -6.998 -4.691 2.759 687 HG11 VAL 104 1HG1 VAL 104 -5.691 -2.654 2.459 688 HG12 VAL 104 2HG1 VAL 104 -6.582 -3.051 0.990 689 HG13 VAL 104 3HG1 VAL 104 -4.852 -3.382 1.090 690 HG21 VAL 104 1HG2 VAL 104 -6.580 -6.691 1.473 691 HG22 VAL 104 2HG2 VAL 104 -5.327 -5.871 0.543 692 HG23 VAL 104 3HG2 VAL 104 -7.010 -5.376 0.380 693 H ARG 105 H ARG 105 -2.836 -3.989 3.785 694 HA ARG 105 HA ARG 105 -4.019 -2.765 6.188 695 HB2 ARG 105 1HB ARG 105 -1.092 -3.045 5.477 696 HB3 ARG 105 2HB ARG 105 -1.755 -2.532 7.021 697 HG2 ARG 105 1HG ARG 105 -1.958 -5.274 5.793 698 HG3 ARG 105 2HG ARG 105 -0.981 -4.803 7.184 699 HD2 ARG 105 1HD ARG 105 -3.990 -4.720 7.033 700 HD3 ARG 105 2HD ARG 105 -3.040 -5.955 7.856 701 HE ARG 105 HE ARG 105 -2.418 -3.335 8.798 702 HH11 ARG 105 1HH1 ARG 105 -4.785 -5.903 9.047 703 HH12 ARG 105 2HH1 ARG 105 -5.289 -5.454 10.646 704 HH21 ARG 105 1HH2 ARG 105 -3.084 -2.740 10.894 705 HH22 ARG 105 2HH2 ARG 105 -4.320 -3.653 11.699 706 H VAL 106 H VAL 106 -4.236 -0.593 6.311 707 HA VAL 106 HA VAL 106 -3.186 0.957 4.042 708 HB VAL 106 HB VAL 106 -5.006 2.596 4.522 709 HG11 VAL 106 1HG1 VAL 106 -5.895 -0.227 3.946 710 HG12 VAL 106 2HG1 VAL 106 -5.251 0.922 2.774 711 HG13 VAL 106 3HG1 VAL 106 -6.799 1.237 3.557 712 HG21 VAL 106 1HG2 VAL 106 -5.422 2.056 6.867 713 HG22 VAL 106 2HG2 VAL 106 -5.996 0.453 6.408 714 HG23 VAL 106 3HG2 VAL 106 -6.899 1.886 5.919 715 H ARG 107 H ARG 107 -1.706 2.449 4.417 716 HA ARG 107 HA ARG 107 -1.513 3.619 7.116 717 HB2 ARG 107 1HB ARG 107 0.773 2.710 5.357 718 HB3 ARG 107 2HB ARG 107 0.968 3.661 6.819 719 HG2 ARG 107 1HG ARG 107 -0.327 0.948 6.795 720 HG3 ARG 107 2HG ARG 107 1.403 1.189 7.027 721 HD2 ARG 107 1HD ARG 107 0.401 0.969 9.182 722 HD3 ARG 107 2HD ARG 107 0.864 2.655 8.973 723 HE ARG 107 HE ARG 107 -1.838 2.238 8.197 724 HH11 ARG 107 1HH1 ARG 107 0.195 2.491 11.037 725 HH12 ARG 107 2HH1 ARG 107 -1.069 3.128 12.039 726 HH21 ARG 107 1HH2 ARG 107 -3.505 3.052 9.514 727 HH22 ARG 107 2HH2 ARG 107 -3.181 3.429 11.178 728 H THR 108 H THR 108 -1.050 5.795 7.194 729 HA THR 108 HA THR 108 -1.310 7.239 4.679 730 HB THR 108 HB THR 108 -1.242 8.282 7.522 731 HG1 THR 108 HG1 THR 108 -3.104 6.917 6.610 732 HG21 THR 108 1HG2 THR 108 -2.115 10.361 6.563 733 HG22 THR 108 2HG2 THR 108 -1.987 9.672 4.945 734 HG23 THR 108 3HG2 THR 108 -0.532 9.968 5.894 735 H VAL 109 H VAL 109 0.321 8.219 3.672 736 HA VAL 109 HA VAL 109 2.869 8.554 5.121 737 HB VAL 109 HB VAL 109 2.480 7.628 2.267 738 HG11 VAL 109 1HG1 VAL 109 5.062 8.209 3.710 739 HG12 VAL 109 2HG1 VAL 109 4.346 9.222 2.461 740 HG13 VAL 109 3HG1 VAL 109 4.891 7.594 2.067 741 HG21 VAL 109 1HG2 VAL 109 3.752 6.275 4.644 742 HG22 VAL 109 2HG2 VAL 109 3.666 5.623 3.008 743 HG23 VAL 109 3HG2 VAL 109 2.188 5.873 3.936 744 H THR 110 H THR 110 3.592 10.583 5.132 745 HA THR 110 HA THR 110 2.654 12.391 3.001 746 HB THR 110 HB THR 110 3.194 14.254 4.596 747 HG1 THR 110 HG1 THR 110 3.921 12.073 6.168 748 HG21 THR 110 1HG2 THR 110 1.108 12.257 5.475 749 HG22 THR 110 2HG2 THR 110 0.898 13.535 4.279 750 HG23 THR 110 3HG2 THR 110 1.170 13.948 5.972 751 H SER 111 H SER 111 5.399 11.068 4.663 752 HA SER 111 HA SER 111 7.158 12.457 2.757 753 HB2 SER 111 1HB SER 111 8.886 12.541 4.556 754 HB3 SER 111 2HB SER 111 7.467 13.518 4.918 755 HG SER 111 HG SER 111 6.720 11.801 6.244 756 HA PRO 112 HA PRO 112 8.533 8.573 1.368 757 HB2 PRO 112 1HB PRO 112 11.247 9.089 1.105 758 HB3 PRO 112 2HB PRO 112 10.006 9.489 -0.083 759 HG2 PRO 112 1HG PRO 112 11.274 11.222 1.992 760 HG3 PRO 112 2HG PRO 112 10.817 11.616 0.324 761 HD2 PRO 112 1HD PRO 112 9.326 12.416 2.390 762 HD3 PRO 112 2HD PRO 112 8.576 11.880 0.871 763 H ASP 113 H ASP 113 10.198 9.920 4.151 764 HA ASP 113 HA ASP 113 11.669 7.599 4.833 765 HB2 ASP 113 1HB ASP 113 12.198 9.797 5.794 766 HB3 ASP 113 2HB ASP 113 10.656 9.805 6.643 767 H GLU 114 H GLU 114 8.394 8.648 5.481 768 HA GLU 114 HA GLU 114 7.786 6.737 7.481 769 HB2 GLU 114 1HB GLU 114 5.922 8.114 5.544 770 HB3 GLU 114 2HB GLU 114 5.445 7.287 7.019 771 HG2 GLU 114 1HG GLU 114 6.667 8.914 8.342 772 HG3 GLU 114 2HG GLU 114 7.192 9.731 6.872 773 H ALA 115 H ALA 115 7.251 6.803 3.976 774 HA ALA 115 HA ALA 115 5.858 4.412 3.718 775 HB1 ALA 115 1HB ALA 115 6.082 6.021 1.901 776 HB2 ALA 115 2HB ALA 115 6.577 4.411 1.385 777 HB3 ALA 115 3HB ALA 115 7.794 5.633 1.756 778 H LYS 116 H LYS 116 9.368 4.964 3.436 779 HA LYS 116 HA LYS 116 9.952 2.213 3.050 780 HB2 LYS 116 1HB LYS 116 12.298 2.858 3.370 781 HB3 LYS 116 2HB LYS 116 11.474 3.924 2.245 782 HG2 LYS 116 1HG LYS 116 11.196 5.556 4.105 783 HG3 LYS 116 2HG LYS 116 12.202 4.505 5.102 784 HD2 LYS 116 1HD LYS 116 13.023 5.796 2.500 785 HD3 LYS 116 2HD LYS 116 13.519 6.312 4.112 786 HE2 LYS 116 1HE LYS 116 14.651 4.192 4.466 787 HE3 LYS 116 2HE LYS 116 14.106 3.616 2.892 788 HZ1 LYS 116 1HZ LYS 116 15.390 5.389 1.846 789 HZ2 LYS 116 2HZ LYS 116 16.378 4.387 2.791 790 HZ3 LYS 116 3HZ LYS 116 15.929 5.908 3.367 791 H ARG 117 H ARG 117 9.358 4.126 5.848 792 HA ARG 117 HA ARG 117 10.647 2.384 7.721 793 HB2 ARG 117 1HB ARG 117 9.780 4.914 7.915 794 HB3 ARG 117 2HB ARG 117 8.364 4.104 8.564 795 HG2 ARG 117 1HG ARG 117 11.146 3.659 9.613 796 HG3 ARG 117 2HG ARG 117 10.047 4.879 10.253 797 HD2 ARG 117 1HD ARG 117 9.385 1.945 10.098 798 HD3 ARG 117 2HD ARG 117 10.099 2.711 11.515 799 HE ARG 117 HE ARG 117 7.908 4.221 11.042 800 HH11 ARG 117 1HH1 ARG 117 8.382 0.768 11.353 801 HH12 ARG 117 2HH1 ARG 117 6.829 0.503 12.095 802 HH21 ARG 117 1HH2 ARG 117 5.876 3.871 12.032 803 HH22 ARG 117 2HH2 ARG 117 5.412 2.261 12.485 804 H TRP 118 H TRP 118 7.273 2.935 6.725 805 HA TRP 118 HA TRP 118 6.105 0.871 8.215 806 HB2 TRP 118 1HB TRP 118 5.271 2.070 5.566 807 HB3 TRP 118 2HB TRP 118 4.284 0.933 6.473 808 HD1 TRP 118 HD1 TRP 118 4.575 4.490 5.924 809 HE1 TRP 118 HE1 TRP 118 3.476 5.848 7.818 810 HE3 TRP 118 HE3 TRP 118 4.130 0.788 9.425 811 HZ2 TRP 118 HZ2 TRP 118 2.539 5.401 10.437 812 HZ3 TRP 118 HZ3 TRP 118 3.119 1.340 11.597 813 HH2 TRP 118 HH2 TRP 118 2.341 3.600 12.089 814 H ILE 119 H ILE 119 7.170 0.862 4.817 815 HA ILE 119 HA ILE 119 6.502 -1.768 4.211 816 HB ILE 119 HB ILE 119 8.764 -0.104 3.092 817 HG12 ILE 119 1HG1 ILE 119 5.968 -0.606 2.046 818 HG13 ILE 119 2HG1 ILE 119 6.497 0.870 2.848 819 HG21 ILE 119 1HG2 ILE 119 7.506 -2.619 1.999 820 HG22 ILE 119 2HG2 ILE 119 9.150 -2.454 2.614 821 HG23 ILE 119 3HG2 ILE 119 8.669 -1.604 1.145 822 HD11 ILE 119 1HD1 ILE 119 7.539 -0.199 0.234 823 HD12 ILE 119 2HD1 ILE 119 8.094 1.268 1.039 824 HD13 ILE 119 3HD1 ILE 119 6.437 1.161 0.445 825 H LYS 120 H LYS 120 9.427 -0.479 5.706 826 HA LYS 120 HA LYS 120 11.022 -2.770 5.542 827 HB2 LYS 120 1HB LYS 120 11.787 -0.476 6.190 828 HB3 LYS 120 2HB LYS 120 11.041 -0.719 7.761 829 HG2 LYS 120 1HG LYS 120 12.552 -2.508 8.272 830 HG3 LYS 120 2HG LYS 120 13.216 -2.470 6.638 831 HD2 LYS 120 1HD LYS 120 14.810 -1.290 7.814 832 HD3 LYS 120 2HD LYS 120 13.781 0.006 7.215 833 HE2 LYS 120 1HE LYS 120 13.642 -1.219 9.968 834 HE3 LYS 120 2HE LYS 120 14.408 0.315 9.573 835 HZ1 LYS 120 1HZ LYS 120 12.279 0.795 10.427 836 HZ2 LYS 120 2HZ LYS 120 11.523 -0.358 9.452 837 HZ3 LYS 120 3HZ LYS 120 12.172 1.049 8.758 838 H GLU 121 H GLU 121 8.660 -1.779 7.995 839 HA GLU 121 HA GLU 121 9.251 -4.046 9.669 840 HB2 GLU 121 1HB GLU 121 7.400 -1.726 9.823 841 HB3 GLU 121 2HB GLU 121 6.990 -3.157 10.757 842 HG2 GLU 121 1HG GLU 121 8.218 -1.625 12.131 843 HG3 GLU 121 2HG GLU 121 9.195 -3.061 11.836 844 H PHE 122 H PHE 122 6.717 -3.163 7.369 845 HA PHE 122 HA PHE 122 5.084 -5.419 7.938 846 HB2 PHE 122 1HB PHE 122 5.181 -3.456 5.671 847 HB3 PHE 122 2HB PHE 122 4.142 -4.875 5.579 848 HD1 PHE 122 HD1 PHE 122 4.616 -1.602 7.057 849 HD2 PHE 122 HD2 PHE 122 2.316 -5.178 7.213 850 HE1 PHE 122 HE1 PHE 122 2.890 -0.432 8.362 851 HE2 PHE 122 HE2 PHE 122 0.587 -4.013 8.518 852 HZ PHE 122 HZ PHE 122 0.873 -1.636 9.093 853 H SER 123 H SER 123 7.920 -4.990 6.010 854 HA SER 123 HA SER 123 7.617 -7.501 4.621 855 HB2 SER 123 1HB SER 123 10.099 -5.803 4.980 856 HB3 SER 123 2HB SER 123 9.885 -7.108 3.814 857 HG SER 123 HG SER 123 8.541 -4.610 3.899 858 H GLU 124 H GLU 124 9.230 -6.285 7.491 859 HA GLU 124 HA GLU 124 10.691 -8.618 8.143 860 HB2 GLU 124 1HB GLU 124 11.058 -6.324 9.099 861 HB3 GLU 124 2HB GLU 124 9.579 -6.525 10.025 862 HG2 GLU 124 1HG GLU 124 11.414 -6.983 11.459 863 HG3 GLU 124 2HG GLU 124 10.613 -8.514 11.111 864 H GLU 125 H GLU 125 7.498 -7.423 9.003 865 HA GLU 125 HA GLU 125 6.706 -10.143 9.767 866 HB2 GLU 125 1HB GLU 125 7.097 -8.859 11.830 867 HB3 GLU 125 2HB GLU 125 6.010 -7.604 11.258 868 HG2 GLU 125 1HG GLU 125 4.195 -9.343 11.221 869 HG3 GLU 125 2HG GLU 125 5.317 -10.412 12.064 Start of MODEL 4 1 HA MET 21 HA MET 21 2.577 -15.530 1.032 2 HB2 MET 21 1HB MET 21 3.600 -15.966 3.238 3 HB3 MET 21 2HB MET 21 4.909 -14.860 2.843 4 HG2 MET 21 1HG MET 21 3.268 -13.031 2.663 5 HG3 MET 21 2HG MET 21 1.999 -14.153 3.150 6 HE1 MET 21 1HE MET 21 5.723 -13.943 4.531 7 HE2 MET 21 2HE MET 21 5.488 -12.791 5.845 8 HE3 MET 21 3HE MET 21 5.246 -12.285 4.174 9 H ARG 22 H ARG 22 2.129 -13.795 -0.159 10 HA ARG 22 HA ARG 22 4.318 -12.372 -1.435 11 HB2 ARG 22 1HB ARG 22 1.326 -12.242 -1.829 12 HB3 ARG 22 2HB ARG 22 2.473 -11.250 -2.720 13 HG2 ARG 22 1HG ARG 22 3.462 -13.191 -3.722 14 HG3 ARG 22 2HG ARG 22 2.482 -14.260 -2.719 15 HD2 ARG 22 1HD ARG 22 1.531 -14.157 -4.924 16 HD3 ARG 22 2HD ARG 22 0.455 -13.346 -3.794 17 HE ARG 22 HE ARG 22 1.996 -11.328 -4.808 18 HH11 ARG 22 1HH1 ARG 22 0.043 -13.853 -6.253 19 HH12 ARG 22 2HH1 ARG 22 -0.438 -12.885 -7.609 20 HH21 ARG 22 1HH2 ARG 22 1.372 -10.051 -6.599 21 HH22 ARG 22 2HH2 ARG 22 0.321 -10.734 -7.811 22 H LEU 23 H LEU 23 4.922 -10.346 -1.031 23 HA LEU 23 HA LEU 23 3.470 -8.864 1.055 24 HB2 LEU 23 1HB LEU 23 6.340 -8.673 0.138 25 HB3 LEU 23 2HB LEU 23 5.598 -7.514 1.218 26 HG LEU 23 HG LEU 23 6.812 -8.908 2.627 27 HD11 LEU 23 1HD1 LEU 23 4.531 -8.574 3.413 28 HD12 LEU 23 2HD1 LEU 23 5.190 -10.118 3.954 29 HD13 LEU 23 3HD1 LEU 23 4.038 -10.071 2.620 30 HD21 LEU 23 1HD2 LEU 23 5.747 -11.281 1.112 31 HD22 LEU 23 2HD2 LEU 23 6.787 -11.351 2.535 32 HD23 LEU 23 3HD2 LEU 23 7.387 -10.636 1.040 33 H VAL 24 H VAL 24 2.014 -7.652 -0.001 34 HA VAL 24 HA VAL 24 2.812 -6.361 -2.509 35 HB VAL 24 HB VAL 24 0.050 -6.537 -1.307 36 HG11 VAL 24 1HG1 VAL 24 -0.709 -6.000 -3.569 37 HG12 VAL 24 2HG1 VAL 24 0.968 -5.870 -4.100 38 HG13 VAL 24 3HG1 VAL 24 0.328 -4.732 -2.915 39 HG21 VAL 24 1HG2 VAL 24 -0.379 -8.360 -2.876 40 HG22 VAL 24 2HG2 VAL 24 0.909 -8.778 -1.746 41 HG23 VAL 24 3HG2 VAL 24 1.305 -8.309 -3.399 42 H VAL 25 H VAL 25 3.538 -4.349 -2.373 43 HA VAL 25 HA VAL 25 2.413 -2.593 -0.293 44 HB VAL 25 HB VAL 25 4.963 -2.087 -1.831 45 HG11 VAL 25 1HG1 VAL 25 5.427 -0.541 0.024 46 HG12 VAL 25 2HG1 VAL 25 3.861 -0.936 0.732 47 HG13 VAL 25 3HG1 VAL 25 3.942 -0.124 -0.830 48 HG21 VAL 25 1HG2 VAL 25 4.666 -3.380 0.882 49 HG22 VAL 25 2HG2 VAL 25 6.187 -2.878 0.144 50 HG23 VAL 25 3HG2 VAL 25 5.234 -4.169 -0.591 51 H LEU 26 H LEU 26 0.922 -1.265 -1.041 52 HA LEU 26 HA LEU 26 1.134 -0.351 -3.832 53 HB2 LEU 26 1HB LEU 26 -1.274 -0.907 -2.108 54 HB3 LEU 26 2HB LEU 26 -1.380 0.045 -3.579 55 HG LEU 26 HG LEU 26 -0.205 -2.721 -3.626 56 HD11 LEU 26 1HD1 LEU 26 -2.434 -2.881 -2.594 57 HD12 LEU 26 2HD1 LEU 26 -2.365 -3.625 -4.192 58 HD13 LEU 26 3HD1 LEU 26 -3.118 -2.041 -3.987 59 HD21 LEU 26 1HD2 LEU 26 0.087 -1.187 -5.551 60 HD22 LEU 26 2HD2 LEU 26 -1.671 -1.114 -5.710 61 HD23 LEU 26 3HD2 LEU 26 -0.825 -2.644 -5.941 62 H ILE 27 H ILE 27 1.392 1.766 -4.160 63 HA ILE 27 HA ILE 27 1.137 3.487 -1.776 64 HB ILE 27 HB ILE 27 3.465 3.195 -2.285 65 HG12 ILE 27 1HG1 ILE 27 2.531 5.901 -3.263 66 HG13 ILE 27 2HG1 ILE 27 2.756 5.440 -1.578 67 HG21 ILE 27 1HG2 ILE 27 4.434 3.823 -4.450 68 HG22 ILE 27 2HG2 ILE 27 2.814 4.110 -5.082 69 HG23 ILE 27 3HG2 ILE 27 3.295 2.485 -4.597 70 HD11 ILE 27 1HD1 ILE 27 4.615 6.770 -2.392 71 HD12 ILE 27 2HD1 ILE 27 4.915 5.591 -3.670 72 HD13 ILE 27 3HD1 ILE 27 5.143 5.137 -1.980 73 H VAL 28 H VAL 28 -0.096 5.231 -1.909 74 HA VAL 28 HA VAL 28 -1.102 6.029 -4.563 75 HB VAL 28 HB VAL 28 -2.316 6.643 -1.864 76 HG11 VAL 28 1HG1 VAL 28 -3.423 6.946 -4.649 77 HG12 VAL 28 2HG1 VAL 28 -2.899 8.254 -3.589 78 HG13 VAL 28 3HG1 VAL 28 -4.296 7.271 -3.152 79 HG21 VAL 28 1HG2 VAL 28 -2.387 4.255 -2.257 80 HG22 VAL 28 2HG2 VAL 28 -3.084 4.521 -3.855 81 HG23 VAL 28 3HG2 VAL 28 -4.001 4.950 -2.411 82 H SER 29 H SER 29 0.377 7.510 -5.203 83 HA SER 29 HA SER 29 0.304 10.105 -4.090 84 HB2 SER 29 1HB SER 29 1.800 8.985 -2.420 85 HB3 SER 29 2HB SER 29 2.914 8.608 -3.730 86 HG SER 29 HG SER 29 3.285 10.600 -2.425 87 H ASN 30 H ASN 30 1.176 11.605 -5.576 88 HA ASN 30 HA ASN 30 2.773 10.385 -7.727 89 HB2 ASN 30 1HB ASN 30 2.126 12.483 -9.053 90 HB3 ASN 30 2HB ASN 30 0.863 11.284 -8.797 91 HD21 ASN 30 1HD2 ASN 30 1.959 14.483 -8.096 92 HD22 ASN 30 2HD2 ASN 30 0.510 15.035 -7.329 93 H ASP 31 H ASP 31 4.442 10.534 -6.131 94 HA ASP 31 HA ASP 31 5.886 13.072 -6.466 95 HB2 ASP 31 1HB ASP 31 5.239 12.712 -4.077 96 HB3 ASP 31 2HB ASP 31 6.125 11.195 -4.101 97 H LYS 32 H LYS 32 7.429 12.693 -7.928 98 HA LYS 32 HA LYS 32 7.933 10.163 -8.946 99 HB2 LYS 32 1HB LYS 32 9.842 11.202 -10.141 100 HB3 LYS 32 2HB LYS 32 8.321 12.054 -10.325 101 HG2 LYS 32 1HG LYS 32 9.036 13.722 -8.715 102 HG3 LYS 32 2HG LYS 32 10.546 12.845 -8.458 103 HD2 LYS 32 1HD LYS 32 11.174 13.202 -10.777 104 HD3 LYS 32 2HD LYS 32 9.636 14.007 -11.090 105 HE2 LYS 32 1HE LYS 32 10.220 15.781 -9.554 106 HE3 LYS 32 2HE LYS 32 11.719 14.958 -9.131 107 HZ1 LYS 32 1HZ LYS 32 12.479 15.236 -11.399 108 HZ2 LYS 32 2HZ LYS 32 12.075 16.735 -10.735 109 HZ3 LYS 32 3HZ LYS 32 11.026 15.989 -11.828 110 H LYS 33 H LYS 33 9.636 11.857 -6.379 111 HA LYS 33 HA LYS 33 11.832 9.991 -6.424 112 HB2 LYS 33 1HB LYS 33 11.063 12.147 -4.466 113 HB3 LYS 33 2HB LYS 33 12.465 11.112 -4.255 114 HG2 LYS 33 1HG LYS 33 11.978 13.040 -6.513 115 HG3 LYS 33 2HG LYS 33 13.132 13.226 -5.193 116 HD2 LYS 33 1HD LYS 33 13.198 11.118 -7.354 117 HD3 LYS 33 2HD LYS 33 14.267 12.512 -7.218 118 HE2 LYS 33 1HE LYS 33 14.074 10.224 -5.261 119 HE3 LYS 33 2HE LYS 33 15.359 10.474 -6.439 120 HZ1 LYS 33 1HZ LYS 33 16.072 11.228 -4.295 121 HZ2 LYS 33 2HZ LYS 33 14.719 12.221 -4.125 122 HZ3 LYS 33 3HZ LYS 33 15.884 12.576 -5.296 123 H LEU 34 H LEU 34 9.105 10.624 -4.217 124 HA LEU 34 HA LEU 34 9.614 8.589 -2.380 125 HB2 LEU 34 1HB LEU 34 7.945 10.222 -1.892 126 HB3 LEU 34 2HB LEU 34 7.031 9.802 -3.324 127 HG LEU 34 HG LEU 34 6.584 7.561 -2.293 128 HD11 LEU 34 1HD1 LEU 34 6.856 7.341 0.122 129 HD12 LEU 34 2HD1 LEU 34 7.729 8.873 0.159 130 HD13 LEU 34 3HD1 LEU 34 8.408 7.492 -0.703 131 HD21 LEU 34 1HD2 LEU 34 5.615 9.982 -0.790 132 HD22 LEU 34 2HD2 LEU 34 4.858 8.389 -0.780 133 HD23 LEU 34 3HD2 LEU 34 4.920 9.327 -2.273 134 H ILE 35 H ILE 35 7.808 8.494 -5.414 135 HA ILE 35 HA ILE 35 6.780 5.913 -5.219 136 HB ILE 35 HB ILE 35 7.561 7.513 -7.654 137 HG12 ILE 35 1HG1 ILE 35 4.860 6.907 -6.430 138 HG13 ILE 35 2HG1 ILE 35 5.751 8.408 -6.198 139 HG21 ILE 35 1HG2 ILE 35 5.984 4.944 -7.526 140 HG22 ILE 35 2HG2 ILE 35 7.584 5.150 -8.239 141 HG23 ILE 35 3HG2 ILE 35 6.188 5.952 -8.960 142 HD11 ILE 35 1HD1 ILE 35 3.987 8.631 -7.864 143 HD12 ILE 35 2HD1 ILE 35 4.743 7.366 -8.835 144 HD13 ILE 35 3HD1 ILE 35 5.583 8.894 -8.566 145 H GLU 36 H GLU 36 9.830 6.965 -6.789 146 HA GLU 36 HA GLU 36 10.532 4.258 -7.378 147 HB2 GLU 36 1HB GLU 36 12.769 5.190 -7.973 148 HB3 GLU 36 2HB GLU 36 11.416 5.866 -8.856 149 HG2 GLU 36 1HG GLU 36 11.479 7.855 -7.460 150 HG3 GLU 36 2HG GLU 36 12.797 7.158 -6.518 151 H GLU 37 H GLU 37 11.457 6.537 -4.821 152 HA GLU 37 HA GLU 37 13.560 5.027 -3.762 153 HB2 GLU 37 1HB GLU 37 11.665 6.983 -2.475 154 HB3 GLU 37 2HB GLU 37 12.947 6.198 -1.566 155 HG2 GLU 37 1HG GLU 37 13.292 7.981 -3.965 156 HG3 GLU 37 2HG GLU 37 13.647 8.392 -2.288 157 H ALA 38 H ALA 38 10.097 4.960 -3.014 158 HA ALA 38 HA ALA 38 10.317 2.947 -1.013 159 HB1 ALA 38 1HB ALA 38 8.396 4.486 -1.164 160 HB2 ALA 38 2HB ALA 38 7.889 2.796 -1.175 161 HB3 ALA 38 3HB ALA 38 7.910 3.719 -2.677 162 H ARG 39 H ARG 39 9.809 2.847 -4.525 163 HA ARG 39 HA ARG 39 9.311 0.051 -4.597 164 HB2 ARG 39 1HB ARG 39 8.742 1.458 -6.520 165 HB3 ARG 39 2HB ARG 39 10.450 1.815 -6.773 166 HG2 ARG 39 1HG ARG 39 10.868 -0.587 -7.137 167 HG3 ARG 39 2HG ARG 39 9.141 -0.890 -6.973 168 HD2 ARG 39 1HD ARG 39 8.694 0.469 -8.929 169 HD3 ARG 39 2HD ARG 39 10.407 0.870 -9.067 170 HE ARG 39 HE ARG 39 10.272 -1.886 -9.089 171 HH11 ARG 39 1HH1 ARG 39 8.993 0.705 -11.063 172 HH12 ARG 39 2HH1 ARG 39 9.010 -0.239 -12.518 173 HH21 ARG 39 1HH2 ARG 39 10.299 -3.113 -10.978 174 HH22 ARG 39 2HH2 ARG 39 9.748 -2.414 -12.473 175 H LYS 40 H LYS 40 12.252 1.991 -5.055 176 HA LYS 40 HA LYS 40 14.108 0.048 -5.608 177 HB2 LYS 40 1HB LYS 40 14.367 2.473 -3.833 178 HB3 LYS 40 2HB LYS 40 15.737 1.487 -4.311 179 HG2 LYS 40 1HG LYS 40 15.393 2.035 -6.622 180 HG3 LYS 40 2HG LYS 40 13.896 2.886 -6.234 181 HD2 LYS 40 1HD LYS 40 15.305 4.402 -4.766 182 HD3 LYS 40 2HD LYS 40 16.717 3.665 -5.529 183 HE2 LYS 40 1HE LYS 40 15.939 4.379 -7.711 184 HE3 LYS 40 2HE LYS 40 14.474 5.043 -6.994 185 HZ1 LYS 40 1HZ LYS 40 15.943 6.831 -7.357 186 HZ2 LYS 40 2HZ LYS 40 17.249 6.016 -6.650 187 HZ3 LYS 40 3HZ LYS 40 15.961 6.545 -5.683 188 H MET 41 H MET 41 13.047 1.056 -2.374 189 HA MET 41 HA MET 41 14.694 -0.839 -1.043 190 HB2 MET 41 1HB MET 41 13.343 -0.206 0.970 191 HB3 MET 41 2HB MET 41 14.105 1.139 0.146 192 HG2 MET 41 1HG MET 41 12.022 1.766 -0.844 193 HG3 MET 41 2HG MET 41 11.233 0.327 -0.195 194 HE1 MET 41 1HE MET 41 12.758 0.358 2.783 195 HE2 MET 41 2HE MET 41 11.119 -0.172 2.404 196 HE3 MET 41 3HE MET 41 11.388 1.032 3.665 197 H ALA 42 H ALA 42 11.272 -0.834 -1.976 198 HA ALA 42 HA ALA 42 10.624 -3.204 -0.537 199 HB1 ALA 42 1HB ALA 42 8.936 -1.543 -1.169 200 HB2 ALA 42 2HB ALA 42 8.523 -3.154 -1.756 201 HB3 ALA 42 3HB ALA 42 9.180 -1.951 -2.867 202 H GLU 43 H GLU 43 11.332 -2.561 -3.955 203 HA GLU 43 HA GLU 43 10.951 -5.251 -4.787 204 HB2 GLU 43 1HB GLU 43 10.795 -3.200 -6.237 205 HB3 GLU 43 2HB GLU 43 12.547 -3.093 -6.170 206 HG2 GLU 43 1HG GLU 43 12.778 -5.181 -7.318 207 HG3 GLU 43 2HG GLU 43 11.038 -5.458 -7.253 208 H LYS 44 H LYS 44 13.640 -3.455 -3.496 209 HA LYS 44 HA LYS 44 15.679 -5.327 -4.149 210 HB2 LYS 44 1HB LYS 44 16.085 -2.966 -3.424 211 HB3 LYS 44 2HB LYS 44 15.581 -3.419 -1.802 212 HG2 LYS 44 1HG LYS 44 17.442 -5.003 -1.669 213 HG3 LYS 44 2HG LYS 44 17.950 -4.529 -3.291 214 HD2 LYS 44 1HD LYS 44 18.261 -2.222 -2.503 215 HD3 LYS 44 2HD LYS 44 17.789 -2.722 -0.879 216 HE2 LYS 44 1HE LYS 44 20.190 -2.611 -1.006 217 HE3 LYS 44 2HE LYS 44 19.694 -4.296 -0.854 218 HZ1 LYS 44 1HZ LYS 44 20.017 -4.575 -3.225 219 HZ2 LYS 44 2HZ LYS 44 21.435 -4.014 -2.505 220 HZ3 LYS 44 3HZ LYS 44 20.463 -2.951 -3.390 221 H ALA 45 H ALA 45 13.374 -5.002 -1.528 222 HA ALA 45 HA ALA 45 14.462 -7.256 -0.067 223 HB1 ALA 45 1HB ALA 45 11.970 -5.624 0.409 224 HB2 ALA 45 2HB ALA 45 13.538 -5.381 1.179 225 HB3 ALA 45 3HB ALA 45 12.616 -6.850 1.498 226 H ASN 46 H ASN 46 12.957 -7.145 -2.843 227 HA ASN 46 HA ASN 46 11.899 -8.668 -4.135 228 HB2 ASN 46 1HB ASN 46 13.330 -10.305 -2.895 229 HB3 ASN 46 2HB ASN 46 12.010 -10.530 -1.756 230 HD21 ASN 46 1HD2 ASN 46 11.681 -10.116 -5.246 231 HD22 ASN 46 2HD2 ASN 46 11.062 -11.702 -5.548 232 H LEU 47 H LEU 47 10.431 -6.778 -2.480 233 HA LEU 47 HA LEU 47 7.890 -8.188 -2.083 234 HB2 LEU 47 1HB LEU 47 8.281 -5.225 -1.785 235 HB3 LEU 47 2HB LEU 47 7.085 -6.250 -1.023 236 HG LEU 47 HG LEU 47 10.013 -6.063 -0.327 237 HD11 LEU 47 1HD1 LEU 47 9.156 -5.241 1.812 238 HD12 LEU 47 2HD1 LEU 47 7.512 -5.326 1.177 239 HD13 LEU 47 3HD1 LEU 47 8.677 -4.209 0.465 240 HD21 LEU 47 1HD2 LEU 47 9.599 -7.666 1.426 241 HD22 LEU 47 2HD2 LEU 47 9.182 -8.386 -0.130 242 HD23 LEU 47 3HD2 LEU 47 7.910 -7.807 0.945 243 H GLU 48 H GLU 48 5.920 -7.131 -3.098 244 HA GLU 48 HA GLU 48 6.647 -6.094 -5.748 245 HB2 GLU 48 1HB GLU 48 4.443 -6.860 -6.531 246 HB3 GLU 48 2HB GLU 48 5.429 -8.176 -5.920 247 HG2 GLU 48 1HG GLU 48 4.148 -8.012 -3.772 248 HG3 GLU 48 2HG GLU 48 3.065 -6.876 -4.589 249 H LEU 49 H LEU 49 6.670 -3.974 -5.642 250 HA LEU 49 HA LEU 49 4.481 -2.633 -4.224 251 HB2 LEU 49 1HB LEU 49 6.813 -2.101 -3.508 252 HB3 LEU 49 2HB LEU 49 7.118 -1.456 -5.110 253 HG LEU 49 HG LEU 49 4.825 -0.325 -3.572 254 HD11 LEU 49 1HD1 LEU 49 6.309 1.240 -2.430 255 HD12 LEU 49 2HD1 LEU 49 7.709 0.359 -3.041 256 HD13 LEU 49 3HD1 LEU 49 6.598 -0.422 -1.914 257 HD21 LEU 49 1HD2 LEU 49 5.287 0.415 -5.864 258 HD22 LEU 49 2HD2 LEU 49 6.911 0.898 -5.375 259 HD23 LEU 49 3HD2 LEU 49 5.506 1.723 -4.701 260 H ILE 50 H ILE 50 2.953 -1.769 -5.367 261 HA ILE 50 HA ILE 50 3.512 -1.045 -8.168 262 HB ILE 50 HB ILE 50 0.999 -2.190 -6.955 263 HG12 ILE 50 1HG1 ILE 50 2.727 -3.092 -9.268 264 HG13 ILE 50 2HG1 ILE 50 2.733 -3.796 -7.655 265 HG21 ILE 50 1HG2 ILE 50 -0.084 -1.869 -9.128 266 HG22 ILE 50 2HG2 ILE 50 1.336 -0.992 -9.702 267 HG23 ILE 50 3HG2 ILE 50 0.364 -0.331 -8.385 268 HD11 ILE 50 1HD1 ILE 50 0.401 -3.784 -9.556 269 HD12 ILE 50 2HD1 ILE 50 0.430 -4.512 -7.949 270 HD13 ILE 50 3HD1 ILE 50 1.466 -5.150 -9.226 271 H THR 51 H THR 51 3.079 0.982 -8.764 272 HA THR 51 HA THR 51 2.226 2.842 -6.721 273 HB THR 51 HB THR 51 2.956 3.440 -9.592 274 HG1 THR 51 HG1 THR 51 4.491 2.744 -7.381 275 HG21 THR 51 1HG2 THR 51 1.807 5.249 -8.375 276 HG22 THR 51 2HG2 THR 51 3.489 5.658 -8.714 277 HG23 THR 51 3HG2 THR 51 3.015 5.144 -7.095 278 H VAL 52 H VAL 52 0.228 3.538 -6.473 279 HA VAL 52 HA VAL 52 -1.758 2.933 -8.539 280 HB VAL 52 HB VAL 52 -2.078 3.674 -5.619 281 HG11 VAL 52 1HG1 VAL 52 -4.231 2.948 -7.601 282 HG12 VAL 52 2HG1 VAL 52 -3.916 4.579 -6.994 283 HG13 VAL 52 3HG1 VAL 52 -4.455 3.306 -5.888 284 HG21 VAL 52 1HG2 VAL 52 -2.900 1.393 -5.358 285 HG22 VAL 52 2HG2 VAL 52 -1.257 1.402 -5.999 286 HG23 VAL 52 3HG2 VAL 52 -2.621 1.087 -7.072 287 HA PRO 53 HA PRO 53 -2.402 7.290 -9.618 288 HB2 PRO 53 1HB PRO 53 -5.205 6.966 -9.693 289 HB3 PRO 53 2HB PRO 53 -4.100 6.895 -11.068 290 HG2 PRO 53 1HG PRO 53 -5.287 4.684 -9.474 291 HG3 PRO 53 2HG PRO 53 -4.881 4.736 -11.199 292 HD2 PRO 53 1HD PRO 53 -3.366 3.385 -9.466 293 HD3 PRO 53 2HD PRO 53 -2.630 4.293 -10.805 294 H GLY 54 H GLY 54 -3.633 9.067 -8.672 295 HA2 GLY 54 1HA GLY 54 -3.151 9.029 -5.882 296 HA3 GLY 54 2HA GLY 54 -3.757 10.389 -6.804 297 H SER 55 H SER 55 -5.720 7.652 -7.207 298 HA SER 55 HA SER 55 -7.652 8.737 -5.300 299 HB2 SER 55 1HB SER 55 -8.049 6.519 -7.319 300 HB3 SER 55 2HB SER 55 -9.300 7.429 -6.472 301 HG SER 55 HG SER 55 -8.501 7.989 -8.793 302 HA PRO 56 HA PRO 56 -6.247 5.524 -2.442 303 HB2 PRO 56 1HB PRO 56 -8.590 6.661 -0.977 304 HB3 PRO 56 2HB PRO 56 -6.951 6.337 -0.401 305 HG2 PRO 56 1HG PRO 56 -7.650 8.814 -0.898 306 HG3 PRO 56 2HG PRO 56 -6.078 8.233 -1.479 307 HD2 PRO 56 1HD PRO 56 -8.650 8.543 -3.009 308 HD3 PRO 56 2HD PRO 56 -7.009 9.059 -3.462 309 H GLU 57 H GLU 57 -9.538 6.078 -3.539 310 HA GLU 57 HA GLU 57 -10.641 3.660 -2.591 311 HB2 GLU 57 1HB GLU 57 -12.439 4.067 -4.275 312 HB3 GLU 57 2HB GLU 57 -12.125 5.429 -3.215 313 HG2 GLU 57 1HG GLU 57 -10.869 6.538 -4.967 314 HG3 GLU 57 2HG GLU 57 -11.116 5.155 -6.032 315 H GLU 58 H GLU 58 -8.966 4.500 -5.566 316 HA GLU 58 HA GLU 58 -9.514 2.072 -6.935 317 HB2 GLU 58 1HB GLU 58 -8.788 4.194 -8.036 318 HB3 GLU 58 2HB GLU 58 -7.193 3.975 -7.330 319 HG2 GLU 58 1HG GLU 58 -7.138 3.255 -9.606 320 HG3 GLU 58 2HG GLU 58 -6.988 1.841 -8.565 321 H ALA 59 H ALA 59 -6.983 3.170 -4.777 322 HA ALA 59 HA ALA 59 -5.114 1.131 -5.154 323 HB1 ALA 59 1HB ALA 59 -4.136 1.841 -3.098 324 HB2 ALA 59 2HB ALA 59 -5.644 2.597 -2.586 325 HB3 ALA 59 3HB ALA 59 -4.739 3.267 -3.940 326 H ILE 60 H ILE 60 -7.754 1.370 -2.779 327 HA ILE 60 HA ILE 60 -7.112 -1.029 -1.430 328 HB ILE 60 HB ILE 60 -9.907 0.079 -1.612 329 HG12 ILE 60 1HG1 ILE 60 -8.458 1.976 -1.118 330 HG13 ILE 60 2HG1 ILE 60 -9.350 1.515 0.327 331 HG21 ILE 60 1HG2 ILE 60 -9.646 -2.059 -0.486 332 HG22 ILE 60 2HG2 ILE 60 -10.070 -0.799 0.673 333 HG23 ILE 60 3HG2 ILE 60 -8.406 -1.373 0.565 334 HD11 ILE 60 1HD1 ILE 60 -7.367 0.348 1.161 335 HD12 ILE 60 2HD1 ILE 60 -7.066 2.061 0.871 336 HD13 ILE 60 3HD1 ILE 60 -6.480 0.856 -0.276 337 H ARG 61 H ARG 61 -9.221 -0.285 -4.132 338 HA ARG 61 HA ARG 61 -10.331 -2.881 -4.399 339 HB2 ARG 61 1HB ARG 61 -10.022 -0.657 -6.424 340 HB3 ARG 61 2HB ARG 61 -11.004 -2.096 -6.655 341 HG2 ARG 61 1HG ARG 61 -12.477 -1.458 -4.881 342 HG3 ARG 61 2HG ARG 61 -11.432 -0.108 -4.433 343 HD2 ARG 61 1HD ARG 61 -11.828 0.854 -6.697 344 HD3 ARG 61 2HD ARG 61 -12.991 -0.435 -6.993 345 HE ARG 61 HE ARG 61 -13.725 0.826 -4.621 346 HH11 ARG 61 1HH1 ARG 61 -13.467 1.579 -8.022 347 HH12 ARG 61 2HH1 ARG 61 -14.713 2.783 -7.988 348 HH21 ARG 61 1HH2 ARG 61 -15.369 2.442 -4.568 349 HH22 ARG 61 2HH2 ARG 61 -15.794 3.270 -6.031 350 H LEU 62 H LEU 62 -7.438 -1.316 -5.607 351 HA LEU 62 HA LEU 62 -6.662 -3.304 -7.474 352 HB2 LEU 62 1HB LEU 62 -5.780 -0.848 -6.953 353 HB3 LEU 62 2HB LEU 62 -4.651 -1.713 -5.934 354 HG LEU 62 HG LEU 62 -3.699 -1.171 -8.124 355 HD11 LEU 62 1HD1 LEU 62 -2.867 -3.133 -6.975 356 HD12 LEU 62 2HD1 LEU 62 -2.871 -3.387 -8.720 357 HD13 LEU 62 3HD1 LEU 62 -4.123 -4.122 -7.719 358 HD21 LEU 62 1HD2 LEU 62 -5.777 -1.235 -9.420 359 HD22 LEU 62 2HD2 LEU 62 -5.820 -2.990 -9.249 360 HD23 LEU 62 3HD2 LEU 62 -4.512 -2.224 -10.147 361 H ALA 63 H ALA 63 -5.987 -2.758 -4.051 362 HA ALA 63 HA ALA 63 -4.296 -4.942 -3.581 363 HB1 ALA 63 1HB ALA 63 -4.606 -3.141 -1.968 364 HB2 ALA 63 2HB ALA 63 -4.958 -4.704 -1.229 365 HB3 ALA 63 3HB ALA 63 -6.278 -3.640 -1.714 366 H GLN 64 H GLN 64 -7.806 -4.639 -3.461 367 HA GLN 64 HA GLN 64 -8.463 -7.203 -2.583 368 HB2 GLN 64 1HB GLN 64 -10.076 -5.369 -2.739 369 HB3 GLN 64 2HB GLN 64 -9.948 -5.387 -4.492 370 HG2 GLN 64 1HG GLN 64 -10.857 -7.683 -4.494 371 HG3 GLN 64 2HG GLN 64 -11.079 -7.560 -2.748 372 HE21 GLN 64 1HE2 GLN 64 -12.151 -6.455 -5.860 373 HE22 GLN 64 2HE2 GLN 64 -13.620 -5.724 -5.320 374 H GLU 65 H GLU 65 -7.785 -5.983 -5.829 375 HA GLU 65 HA GLU 65 -8.415 -8.325 -7.250 376 HB2 GLU 65 1HB GLU 65 -6.444 -6.130 -7.894 377 HB3 GLU 65 2HB GLU 65 -6.950 -7.378 -9.024 378 HG2 GLU 65 1HG GLU 65 -8.798 -5.394 -7.720 379 HG3 GLU 65 2HG GLU 65 -8.118 -5.229 -9.339 380 H ILE 66 H ILE 66 -5.243 -7.108 -6.180 381 HA ILE 66 HA ILE 66 -3.755 -9.284 -7.113 382 HB ILE 66 HB ILE 66 -3.115 -7.455 -4.797 383 HG12 ILE 66 1HG1 ILE 66 -2.328 -7.290 -7.716 384 HG13 ILE 66 2HG1 ILE 66 -3.534 -6.277 -6.927 385 HG21 ILE 66 1HG2 ILE 66 -1.748 -9.459 -4.738 386 HG22 ILE 66 2HG2 ILE 66 -0.776 -8.072 -5.229 387 HG23 ILE 66 3HG2 ILE 66 -1.317 -9.240 -6.434 388 HD11 ILE 66 1HD1 ILE 66 -0.594 -6.363 -6.289 389 HD12 ILE 66 2HD1 ILE 66 -1.794 -5.368 -5.465 390 HD13 ILE 66 3HD1 ILE 66 -1.442 -5.093 -7.172 391 H ALA 67 H ALA 67 -5.156 -8.699 -3.904 392 HA ALA 67 HA ALA 67 -3.849 -10.937 -2.727 393 HB1 ALA 67 1HB ALA 67 -6.208 -9.415 -1.649 394 HB2 ALA 67 2HB ALA 67 -4.528 -8.899 -1.499 395 HB3 ALA 67 3HB ALA 67 -5.058 -10.400 -0.741 396 H GLU 68 H GLU 68 -7.111 -10.458 -4.053 397 HA GLU 68 HA GLU 68 -8.118 -12.913 -2.988 398 HB2 GLU 68 1HB GLU 68 -9.570 -10.978 -3.636 399 HB3 GLU 68 2HB GLU 68 -9.226 -11.344 -5.322 400 HG2 GLU 68 1HG GLU 68 -10.131 -13.671 -4.836 401 HG3 GLU 68 2HG GLU 68 -10.748 -12.994 -3.332 402 H LYS 69 H LYS 69 -6.547 -11.992 -5.992 403 HA LYS 69 HA LYS 69 -7.197 -14.523 -7.245 404 HB2 LYS 69 1HB LYS 69 -5.294 -12.398 -8.239 405 HB3 LYS 69 2HB LYS 69 -6.003 -13.703 -9.175 406 HG2 LYS 69 1HG LYS 69 -7.377 -11.279 -8.057 407 HG3 LYS 69 2HG LYS 69 -7.157 -11.721 -9.749 408 HD2 LYS 69 1HD LYS 69 -8.630 -13.656 -9.425 409 HD3 LYS 69 2HD LYS 69 -8.852 -13.199 -7.734 410 HE2 LYS 69 1HE LYS 69 -9.737 -10.998 -8.545 411 HE3 LYS 69 2HE LYS 69 -9.700 -11.657 -10.177 412 HZ1 LYS 69 1HZ LYS 69 -11.881 -11.917 -9.318 413 HZ2 LYS 69 2HZ LYS 69 -11.319 -12.626 -7.888 414 HZ3 LYS 69 3HZ LYS 69 -11.180 -13.456 -9.359 415 H ALA 70 H ALA 70 -4.847 -13.391 -5.127 416 HA ALA 70 HA ALA 70 -2.664 -15.012 -6.077 417 HB1 ALA 70 1HB ALA 70 -2.209 -12.914 -4.936 418 HB2 ALA 70 2HB ALA 70 -1.520 -14.274 -4.045 419 HB3 ALA 70 3HB ALA 70 -3.013 -13.520 -3.487 420 HA PRO 71 HA PRO 71 -4.130 -18.582 -3.804 421 HB2 PRO 71 1HB PRO 71 -2.315 -20.328 -4.763 422 HB3 PRO 71 2HB PRO 71 -3.692 -19.780 -5.725 423 HG2 PRO 71 1HG PRO 71 -0.837 -18.916 -5.834 424 HG3 PRO 71 2HG PRO 71 -1.985 -19.166 -7.161 425 HD2 PRO 71 1HD PRO 71 -1.327 -16.707 -6.099 426 HD3 PRO 71 2HD PRO 71 -2.829 -17.055 -6.975 427 H GLY 72 H GLY 72 -3.643 -18.237 -1.691 428 HA2 GLY 72 1HA GLY 72 -2.192 -19.472 -0.054 429 HA3 GLY 72 2HA GLY 72 -0.842 -18.711 -0.884 430 HA PRO 73 HA PRO 73 -2.231 -16.067 2.738 431 HB2 PRO 73 1HB PRO 73 0.556 -16.277 3.605 432 HB3 PRO 73 2HB PRO 73 -0.921 -16.640 4.501 433 HG2 PRO 73 1HG PRO 73 0.779 -18.568 3.678 434 HG3 PRO 73 2HG PRO 73 -0.970 -18.828 3.793 435 HD2 PRO 73 1HD PRO 73 0.706 -18.260 1.374 436 HD3 PRO 73 2HD PRO 73 -0.640 -19.404 1.569 437 H VAL 74 H VAL 74 -2.321 -14.036 2.090 438 HA VAL 74 HA VAL 74 0.136 -12.727 1.149 439 HB VAL 74 HB VAL 74 -2.616 -12.384 -0.072 440 HG11 VAL 74 1HG1 VAL 74 0.008 -11.073 -0.778 441 HG12 VAL 74 2HG1 VAL 74 -1.411 -10.285 -0.088 442 HG13 VAL 74 3HG1 VAL 74 -1.477 -10.949 -1.721 443 HG21 VAL 74 1HG2 VAL 74 -0.116 -13.674 -1.154 444 HG22 VAL 74 2HG2 VAL 74 -1.552 -13.309 -2.109 445 HG23 VAL 74 3HG2 VAL 74 -1.647 -14.465 -0.781 446 H LYS 75 H LYS 75 0.355 -10.577 1.759 447 HA LYS 75 HA LYS 75 -1.869 -9.367 3.226 448 HB2 LYS 75 1HB LYS 75 -0.288 -8.441 4.894 449 HB3 LYS 75 2HB LYS 75 -0.384 -10.194 4.955 450 HG2 LYS 75 1HG LYS 75 1.717 -10.389 3.781 451 HG3 LYS 75 2HG LYS 75 1.799 -8.638 3.584 452 HD2 LYS 75 1HD LYS 75 3.153 -8.916 5.415 453 HD3 LYS 75 2HD LYS 75 1.599 -8.652 6.203 454 HE2 LYS 75 1HE LYS 75 2.848 -11.340 5.637 455 HE3 LYS 75 2HE LYS 75 2.853 -10.521 7.195 456 HZ1 LYS 75 1HZ LYS 75 0.407 -10.619 7.155 457 HZ2 LYS 75 2HZ LYS 75 1.127 -12.145 7.162 458 HZ3 LYS 75 3HZ LYS 75 0.481 -11.527 5.729 459 H VAL 76 H VAL 76 -2.095 -7.183 2.909 460 HA VAL 76 HA VAL 76 -0.250 -6.012 0.927 461 HB VAL 76 HB VAL 76 -3.223 -5.501 1.071 462 HG11 VAL 76 1HG1 VAL 76 -1.150 -4.724 -0.971 463 HG12 VAL 76 2HG1 VAL 76 -1.980 -3.646 0.151 464 HG13 VAL 76 3HG1 VAL 76 -2.884 -4.455 -1.129 465 HG21 VAL 76 1HG2 VAL 76 -2.847 -7.801 0.380 466 HG22 VAL 76 2HG2 VAL 76 -1.708 -7.263 -0.853 467 HG23 VAL 76 3HG2 VAL 76 -3.413 -6.834 -0.981 468 H LEU 77 H LEU 77 0.412 -3.967 1.267 469 HA LEU 77 HA LEU 77 -0.756 -2.500 3.532 470 HB2 LEU 77 1HB LEU 77 1.405 -3.326 4.251 471 HB3 LEU 77 2HB LEU 77 2.162 -2.748 2.779 472 HG LEU 77 HG LEU 77 1.678 -0.415 3.480 473 HD11 LEU 77 1HD1 LEU 77 -0.246 -0.817 4.898 474 HD12 LEU 77 2HD1 LEU 77 1.020 0.009 5.805 475 HD13 LEU 77 3HD1 LEU 77 0.756 -1.719 6.036 476 HD21 LEU 77 1HD2 LEU 77 3.388 -0.304 5.211 477 HD22 LEU 77 2HD2 LEU 77 3.847 -1.440 3.942 478 HD23 LEU 77 3HD2 LEU 77 3.236 -2.039 5.484 479 H VAL 78 H VAL 78 -1.810 -0.863 2.650 480 HA VAL 78 HA VAL 78 -0.658 0.326 0.239 481 HB VAL 78 HB VAL 78 -2.952 -0.571 0.040 482 HG11 VAL 78 1HG1 VAL 78 -4.824 0.664 1.031 483 HG12 VAL 78 2HG1 VAL 78 -3.676 1.618 1.970 484 HG13 VAL 78 3HG1 VAL 78 -3.811 -0.119 2.244 485 HG21 VAL 78 1HG2 VAL 78 -2.173 1.147 -1.453 486 HG22 VAL 78 2HG2 VAL 78 -2.682 2.401 -0.320 487 HG23 VAL 78 3HG2 VAL 78 -3.887 1.377 -1.100 488 H LEU 79 H LEU 79 0.218 2.232 0.309 489 HA LEU 79 HA LEU 79 -0.037 3.792 2.789 490 HB2 LEU 79 1HB LEU 79 2.175 3.832 0.733 491 HB3 LEU 79 2HB LEU 79 2.156 4.717 2.245 492 HG LEU 79 HG LEU 79 2.247 1.710 1.981 493 HD11 LEU 79 1HD1 LEU 79 4.377 3.688 2.775 494 HD12 LEU 79 2HD1 LEU 79 4.325 2.755 1.279 495 HD13 LEU 79 3HD1 LEU 79 4.531 1.932 2.825 496 HD21 LEU 79 1HD2 LEU 79 2.661 1.738 4.396 497 HD22 LEU 79 2HD2 LEU 79 1.079 2.409 3.999 498 HD23 LEU 79 3HD2 LEU 79 2.415 3.485 4.415 499 H ILE 80 H ILE 80 -1.478 5.373 2.516 500 HA ILE 80 HA ILE 80 -1.629 6.753 -0.047 501 HB ILE 80 HB ILE 80 -3.549 7.984 0.964 502 HG12 ILE 80 1HG1 ILE 80 -3.172 6.048 3.264 503 HG13 ILE 80 2HG1 ILE 80 -2.862 7.779 3.333 504 HG21 ILE 80 1HG2 ILE 80 -3.928 6.017 -0.393 505 HG22 ILE 80 2HG2 ILE 80 -5.090 6.064 0.933 506 HG23 ILE 80 3HG2 ILE 80 -3.707 4.973 1.012 507 HD11 ILE 80 1HD1 ILE 80 -5.532 6.483 2.839 508 HD12 ILE 80 2HD1 ILE 80 -5.225 8.217 2.908 509 HD13 ILE 80 3HD1 ILE 80 -4.994 7.225 4.346 510 H THR 81 H THR 81 -0.597 8.599 -0.433 511 HA THR 81 HA THR 81 0.760 9.874 1.831 512 HB THR 81 HB THR 81 1.278 10.380 -1.099 513 HG1 THR 81 HG1 THR 81 1.657 8.120 0.134 514 HG21 THR 81 1HG2 THR 81 2.157 12.069 0.436 515 HG22 THR 81 2HG2 THR 81 3.468 11.137 -0.287 516 HG23 THR 81 3HG2 THR 81 2.963 10.810 1.371 517 H GLY 82 H GLY 82 0.236 11.838 2.520 518 HA2 GLY 82 1HA GLY 82 -0.247 14.148 2.041 519 HA3 GLY 82 2HA GLY 82 -1.263 13.612 0.712 520 H SER 83 H SER 83 -2.795 15.095 1.731 521 HA SER 83 HA SER 83 -4.080 14.028 4.135 522 HB2 SER 83 1HB SER 83 -3.517 16.433 4.120 523 HB3 SER 83 2HB SER 83 -4.513 16.655 2.684 524 HG SER 83 HG SER 83 -6.199 16.753 3.914 525 H ALA 84 H ALA 84 -5.696 12.662 3.826 526 HA ALA 84 HA ALA 84 -7.041 12.394 1.305 527 HB1 ALA 84 1HB ALA 84 -8.320 10.641 2.420 528 HB2 ALA 84 2HB ALA 84 -7.649 11.127 3.977 529 HB3 ALA 84 3HB ALA 84 -6.594 10.456 2.733 530 H ASP 85 H ASP 85 -8.718 13.582 0.654 531 HA ASP 85 HA ASP 85 -10.123 15.336 2.429 532 HB2 ASP 85 1HB ASP 85 -10.505 14.584 -0.467 533 HB3 ASP 85 2HB ASP 85 -11.639 15.634 0.370 534 HA PRO 86 HA PRO 86 -13.463 13.206 4.245 535 HB2 PRO 86 1HB PRO 86 -15.543 14.271 2.527 536 HB3 PRO 86 2HB PRO 86 -15.218 14.614 4.225 537 HG2 PRO 86 1HG PRO 86 -14.455 16.135 1.845 538 HG3 PRO 86 2HG PRO 86 -14.486 16.646 3.540 539 HD2 PRO 86 1HD PRO 86 -12.183 16.284 2.166 540 HD3 PRO 86 2HD PRO 86 -12.310 15.979 3.910 541 H ASP 87 H ASP 87 -14.112 13.401 0.721 542 HA ASP 87 HA ASP 87 -15.547 10.992 0.583 543 HB2 ASP 87 1HB ASP 87 -15.646 12.633 -1.224 544 HB3 ASP 87 2HB ASP 87 -13.943 12.364 -1.585 545 H GLU 88 H GLU 88 -12.184 11.640 -0.342 546 HA GLU 88 HA GLU 88 -11.467 9.029 -0.993 547 HB2 GLU 88 1HB GLU 88 -9.716 11.203 0.161 548 HB3 GLU 88 2HB GLU 88 -9.162 9.791 -0.721 549 HG2 GLU 88 1HG GLU 88 -10.299 10.574 -2.721 550 HG3 GLU 88 2HG GLU 88 -10.891 11.981 -1.840 551 H LYS 89 H LYS 89 -11.352 10.746 2.075 552 HA LYS 89 HA LYS 89 -10.010 8.813 3.599 553 HB2 LYS 89 1HB LYS 89 -10.370 11.123 4.353 554 HB3 LYS 89 2HB LYS 89 -12.098 10.828 4.460 555 HG2 LYS 89 1HG LYS 89 -11.160 10.754 6.655 556 HG3 LYS 89 2HG LYS 89 -11.652 9.122 6.201 557 HD2 LYS 89 1HD LYS 89 -9.326 8.601 5.613 558 HD3 LYS 89 2HD LYS 89 -8.846 10.228 6.099 559 HE2 LYS 89 1HE LYS 89 -10.103 8.153 7.895 560 HE3 LYS 89 2HE LYS 89 -8.390 8.571 7.854 561 HZ1 LYS 89 1HZ LYS 89 -9.563 9.677 9.668 562 HZ2 LYS 89 2HZ LYS 89 -10.586 10.444 8.560 563 HZ3 LYS 89 3HZ LYS 89 -8.935 10.799 8.569 564 H THR 90 H THR 90 -13.461 9.290 2.951 565 HA THR 90 HA THR 90 -14.325 7.154 4.628 566 HB THR 90 HB THR 90 -15.839 8.372 2.311 567 HG1 THR 90 HG1 THR 90 -15.172 10.030 3.701 568 HG21 THR 90 1HG2 THR 90 -16.845 6.340 3.241 569 HG22 THR 90 2HG2 THR 90 -17.817 7.759 3.635 570 HG23 THR 90 3HG2 THR 90 -16.772 7.037 4.859 571 H LYS 91 H LYS 91 -13.686 7.489 1.167 572 HA LYS 91 HA LYS 91 -14.544 4.997 0.283 573 HB2 LYS 91 1HB LYS 91 -12.217 6.671 -0.673 574 HB3 LYS 91 2HB LYS 91 -12.852 5.274 -1.528 575 HG2 LYS 91 1HG LYS 91 -14.518 7.683 -0.861 576 HG3 LYS 91 2HG LYS 91 -13.613 7.514 -2.366 577 HD2 LYS 91 1HD LYS 91 -14.861 5.487 -2.899 578 HD3 LYS 91 2HD LYS 91 -15.745 5.622 -1.379 579 HE2 LYS 91 1HE LYS 91 -17.016 6.460 -3.333 580 HE3 LYS 91 2HE LYS 91 -16.763 7.679 -2.087 581 HZ1 LYS 91 1HZ LYS 91 -16.384 8.381 -4.467 582 HZ2 LYS 91 2HZ LYS 91 -14.972 7.446 -4.436 583 HZ3 LYS 91 3HZ LYS 91 -15.150 8.755 -3.371 584 H ALA 92 H ALA 92 -11.291 5.957 1.357 585 HA ALA 92 HA ALA 92 -10.211 3.331 1.128 586 HB1 ALA 92 1HB ALA 92 -9.144 5.713 2.640 587 HB2 ALA 92 2HB ALA 92 -8.825 5.340 0.946 588 HB3 ALA 92 3HB ALA 92 -8.239 4.261 2.212 589 H LYS 93 H LYS 93 -12.051 4.932 3.515 590 HA LYS 93 HA LYS 93 -11.145 3.401 5.762 591 HB2 LYS 93 1HB LYS 93 -12.083 5.639 6.054 592 HB3 LYS 93 2HB LYS 93 -13.611 5.104 5.374 593 HG2 LYS 93 1HG LYS 93 -13.978 3.638 7.262 594 HG3 LYS 93 2HG LYS 93 -12.402 4.073 7.930 595 HD2 LYS 93 1HD LYS 93 -13.128 6.399 8.133 596 HD3 LYS 93 2HD LYS 93 -14.699 5.971 7.454 597 HE2 LYS 93 1HE LYS 93 -15.155 4.525 9.340 598 HE3 LYS 93 2HE LYS 93 -13.549 4.837 9.999 599 HZ1 LYS 93 1HZ LYS 93 -15.238 6.174 11.092 600 HZ2 LYS 93 2HZ LYS 93 -15.677 6.872 9.617 601 HZ3 LYS 93 3HZ LYS 93 -14.142 7.158 10.263 602 H LYS 94 H LYS 94 -14.159 3.453 3.865 603 HA LYS 94 HA LYS 94 -15.253 1.211 5.228 604 HB2 LYS 94 1HB LYS 94 -16.446 3.119 3.927 605 HB3 LYS 94 2HB LYS 94 -16.153 2.124 2.510 606 HG2 LYS 94 1HG LYS 94 -17.528 0.995 4.917 607 HG3 LYS 94 2HG LYS 94 -18.414 1.940 3.724 608 HD2 LYS 94 1HD LYS 94 -16.755 -0.474 3.022 609 HD3 LYS 94 2HD LYS 94 -18.474 -0.559 3.406 610 HE2 LYS 94 1HE LYS 94 -18.891 1.075 1.571 611 HE3 LYS 94 2HE LYS 94 -17.185 0.956 1.141 612 HZ1 LYS 94 1HZ LYS 94 -17.487 -1.399 0.727 613 HZ2 LYS 94 2HZ LYS 94 -18.556 -0.493 -0.218 614 HZ3 LYS 94 3HZ LYS 94 -19.121 -1.296 1.159 615 H ALA 95 H ALA 95 -13.536 1.628 2.170 616 HA ALA 95 HA ALA 95 -13.891 -1.009 1.220 617 HB1 ALA 95 1HB ALA 95 -12.070 -0.516 -0.314 618 HB2 ALA 95 2HB ALA 95 -11.652 0.917 0.625 619 HB3 ALA 95 3HB ALA 95 -13.196 0.838 -0.222 620 H ALA 96 H ALA 96 -11.580 0.437 3.425 621 HA ALA 96 HA ALA 96 -9.683 -1.647 3.476 622 HB1 ALA 96 1HB ALA 96 -10.409 0.256 5.697 623 HB2 ALA 96 2HB ALA 96 -9.267 0.592 4.396 624 HB3 ALA 96 3HB ALA 96 -8.921 -0.682 5.564 625 H GLU 97 H GLU 97 -12.688 -1.124 5.205 626 HA GLU 97 HA GLU 97 -12.390 -3.189 7.120 627 HB2 GLU 97 1HB GLU 97 -14.958 -2.064 5.986 628 HB3 GLU 97 2HB GLU 97 -14.771 -2.909 7.515 629 HG2 GLU 97 1HG GLU 97 -13.513 -0.258 6.847 630 HG3 GLU 97 2HG GLU 97 -15.005 -0.472 7.761 631 H GLU 98 H GLU 98 -13.357 -3.129 3.803 632 HA GLU 98 HA GLU 98 -14.544 -5.778 3.906 633 HB2 GLU 98 1HB GLU 98 -14.031 -4.054 1.479 634 HB3 GLU 98 2HB GLU 98 -15.125 -5.423 1.599 635 HG2 GLU 98 1HG GLU 98 -15.429 -2.780 3.006 636 HG3 GLU 98 2HG GLU 98 -16.344 -3.328 1.604 637 H ALA 99 H ALA 99 -11.710 -4.157 2.550 638 HA ALA 99 HA ALA 99 -10.763 -6.457 1.158 639 HB1 ALA 99 1HB ALA 99 -9.287 -3.939 1.903 640 HB2 ALA 99 2HB ALA 99 -10.240 -4.180 0.439 641 HB3 ALA 99 3HB ALA 99 -8.779 -5.131 0.707 642 H ARG 100 H ARG 100 -10.627 -5.571 4.438 643 HA ARG 100 HA ARG 100 -8.076 -6.556 5.123 644 HB2 ARG 100 1HB ARG 100 -8.803 -6.525 7.413 645 HB3 ARG 100 2HB ARG 100 -9.426 -5.100 6.599 646 HG2 ARG 100 1HG ARG 100 -11.619 -6.104 6.445 647 HG3 ARG 100 2HG ARG 100 -11.009 -7.592 7.177 648 HD2 ARG 100 1HD ARG 100 -10.518 -6.440 9.231 649 HD3 ARG 100 2HD ARG 100 -10.930 -4.890 8.506 650 HE ARG 100 HE ARG 100 -12.993 -6.962 8.706 651 HH11 ARG 100 1HH1 ARG 100 -11.697 -3.885 9.747 652 HH12 ARG 100 2HH1 ARG 100 -13.180 -3.353 10.473 653 HH21 ARG 100 1HH2 ARG 100 -14.949 -6.277 9.687 654 HH22 ARG 100 2HH2 ARG 100 -15.022 -4.724 10.458 655 H LYS 101 H LYS 101 -10.813 -8.209 4.066 656 HA LYS 101 HA LYS 101 -10.667 -10.653 5.415 657 HB2 LYS 101 1HB LYS 101 -11.336 -10.138 2.512 658 HB3 LYS 101 2HB LYS 101 -11.674 -11.628 3.380 659 HG2 LYS 101 1HG LYS 101 -13.169 -10.427 4.875 660 HG3 LYS 101 2HG LYS 101 -12.817 -8.922 4.022 661 HD2 LYS 101 1HD LYS 101 -13.739 -9.874 1.966 662 HD3 LYS 101 2HD LYS 101 -14.085 -11.382 2.817 663 HE2 LYS 101 1HE LYS 101 -15.266 -8.670 3.403 664 HE3 LYS 101 2HE LYS 101 -16.093 -10.036 2.654 665 HZ1 LYS 101 1HZ LYS 101 -15.068 -9.876 5.434 666 HZ2 LYS 101 2HZ LYS 101 -15.674 -11.289 4.731 667 HZ3 LYS 101 3HZ LYS 101 -16.686 -9.951 4.943 668 H TRP 102 H TRP 102 -8.663 -9.272 2.933 669 HA TRP 102 HA TRP 102 -7.139 -11.781 2.752 670 HB2 TRP 102 1HB TRP 102 -7.211 -9.477 0.791 671 HB3 TRP 102 2HB TRP 102 -6.348 -11.000 0.583 672 HD1 TRP 102 HD1 TRP 102 -7.849 -13.201 0.101 673 HE1 TRP 102 HE1 TRP 102 -10.203 -13.454 -0.909 674 HE3 TRP 102 HE3 TRP 102 -9.475 -8.383 0.622 675 HZ2 TRP 102 HZ2 TRP 102 -12.449 -11.822 -1.423 676 HZ3 TRP 102 HZ3 TRP 102 -11.739 -7.813 -0.155 677 HH2 TRP 102 HH2 TRP 102 -13.193 -9.497 -1.155 678 H ASN 103 H ASN 103 -6.936 -9.823 4.857 679 HA ASN 103 HA ASN 103 -5.369 -8.812 6.136 680 HB2 ASN 103 1HB ASN 103 -3.488 -10.341 4.332 681 HB3 ASN 103 2HB ASN 103 -2.990 -9.495 5.792 682 HD21 ASN 103 1HD2 ASN 103 -3.627 -10.302 7.805 683 HD22 ASN 103 2HD2 ASN 103 -4.187 -11.928 7.995 684 H VAL 104 H VAL 104 -6.390 -7.322 3.946 685 HA VAL 104 HA VAL 104 -4.151 -5.705 3.029 686 HB VAL 104 HB VAL 104 -7.123 -5.334 2.585 687 HG11 VAL 104 1HG1 VAL 104 -6.457 -3.758 0.825 688 HG12 VAL 104 2HG1 VAL 104 -4.769 -3.953 1.298 689 HG13 VAL 104 3HG1 VAL 104 -5.920 -3.227 2.419 690 HG21 VAL 104 1HG2 VAL 104 -6.675 -6.154 0.314 691 HG22 VAL 104 2HG2 VAL 104 -6.300 -7.369 1.534 692 HG23 VAL 104 3HG2 VAL 104 -4.999 -6.465 0.763 693 H ARG 105 H ARG 105 -3.476 -3.914 4.029 694 HA ARG 105 HA ARG 105 -5.240 -2.703 6.051 695 HB2 ARG 105 1HB ARG 105 -3.261 -2.329 7.470 696 HB3 ARG 105 2HB ARG 105 -3.560 -4.038 7.192 697 HG2 ARG 105 1HG ARG 105 -1.834 -3.936 5.368 698 HG3 ARG 105 2HG ARG 105 -1.443 -2.314 5.941 699 HD2 ARG 105 1HD ARG 105 0.085 -3.913 6.905 700 HD3 ARG 105 2HD ARG 105 -0.953 -3.246 8.165 701 HE ARG 105 HE ARG 105 -2.278 -5.470 7.527 702 HH11 ARG 105 1HH1 ARG 105 1.126 -4.945 8.121 703 HH12 ARG 105 2HH1 ARG 105 1.388 -6.536 8.763 704 HH21 ARG 105 1HH2 ARG 105 -1.944 -7.567 8.371 705 HH22 ARG 105 2HH2 ARG 105 -0.356 -8.030 8.899 706 H VAL 106 H VAL 106 -5.132 -0.486 6.280 707 HA VAL 106 HA VAL 106 -3.764 0.921 4.082 708 HB VAL 106 HB VAL 106 -6.174 1.856 5.649 709 HG11 VAL 106 1HG1 VAL 106 -4.929 2.896 3.107 710 HG12 VAL 106 2HG1 VAL 106 -4.878 3.674 4.688 711 HG13 VAL 106 3HG1 VAL 106 -6.414 3.496 3.843 712 HG21 VAL 106 1HG2 VAL 106 -6.041 0.555 2.934 713 HG22 VAL 106 2HG2 VAL 106 -7.473 1.318 3.622 714 HG23 VAL 106 3HG2 VAL 106 -6.782 -0.111 4.390 715 H ARG 107 H ARG 107 -2.225 2.358 4.583 716 HA ARG 107 HA ARG 107 -2.231 3.542 7.265 717 HB2 ARG 107 1HB ARG 107 -0.699 1.551 7.178 718 HB3 ARG 107 2HB ARG 107 0.247 2.404 5.967 719 HG2 ARG 107 1HG ARG 107 0.997 3.990 7.490 720 HG3 ARG 107 2HG ARG 107 -0.292 3.634 8.642 721 HD2 ARG 107 1HD ARG 107 1.989 1.798 7.916 722 HD3 ARG 107 2HD ARG 107 1.863 2.748 9.396 723 HE ARG 107 HE ARG 107 -0.433 1.157 9.175 724 HH11 ARG 107 1HH1 ARG 107 2.999 0.781 9.687 725 HH12 ARG 107 2HH1 ARG 107 2.846 -0.689 10.595 726 HH21 ARG 107 1HH2 ARG 107 -0.654 -0.782 10.377 727 HH22 ARG 107 2HH2 ARG 107 0.762 -1.576 10.991 728 H THR 108 H THR 108 -1.715 5.646 7.305 729 HA THR 108 HA THR 108 -1.400 6.966 4.737 730 HB THR 108 HB THR 108 -1.779 8.176 7.482 731 HG1 THR 108 HG1 THR 108 -3.477 6.699 6.462 732 HG21 THR 108 1HG2 THR 108 -0.870 9.740 5.814 733 HG22 THR 108 2HG2 THR 108 -2.522 10.161 6.266 734 HG23 THR 108 3HG2 THR 108 -2.206 9.353 4.730 735 H VAL 109 H VAL 109 0.366 8.037 4.057 736 HA VAL 109 HA VAL 109 2.580 8.403 5.961 737 HB VAL 109 HB VAL 109 4.180 8.051 4.096 738 HG11 VAL 109 1HG1 VAL 109 2.352 5.721 4.653 739 HG12 VAL 109 2HG1 VAL 109 3.714 6.241 5.646 740 HG13 VAL 109 3HG1 VAL 109 3.997 5.610 4.022 741 HG21 VAL 109 1HG2 VAL 109 2.720 8.534 2.216 742 HG22 VAL 109 2HG2 VAL 109 1.744 7.112 2.586 743 HG23 VAL 109 3HG2 VAL 109 3.415 6.922 2.054 744 H THR 110 H THR 110 3.601 10.352 5.906 745 HA THR 110 HA THR 110 2.644 12.293 3.909 746 HB THR 110 HB THR 110 3.193 14.014 5.739 747 HG1 THR 110 HG1 THR 110 2.589 12.177 7.690 748 HG21 THR 110 1HG2 THR 110 0.884 12.104 6.130 749 HG22 THR 110 2HG2 THR 110 0.906 13.500 5.053 750 HG23 THR 110 3HG2 THR 110 0.990 13.731 6.799 751 H SER 111 H SER 111 5.279 10.581 4.974 752 HA SER 111 HA SER 111 7.094 12.278 3.477 753 HB2 SER 111 1HB SER 111 7.651 11.492 6.351 754 HB3 SER 111 2HB SER 111 8.782 12.315 5.277 755 HG SER 111 HG SER 111 6.457 13.648 5.300 756 HA PRO 112 HA PRO 112 8.453 8.334 2.029 757 HB2 PRO 112 1HB PRO 112 11.114 9.562 1.672 758 HB3 PRO 112 2HB PRO 112 10.040 8.841 0.473 759 HG2 PRO 112 1HG PRO 112 10.401 11.486 0.603 760 HG3 PRO 112 2HG PRO 112 8.826 10.786 0.193 761 HD2 PRO 112 1HD PRO 112 9.768 11.959 2.779 762 HD3 PRO 112 2HD PRO 112 8.190 12.104 1.978 763 H ASP 113 H ASP 113 10.493 10.075 4.318 764 HA ASP 113 HA ASP 113 12.132 7.960 5.150 765 HB2 ASP 113 1HB ASP 113 11.079 10.241 6.847 766 HB3 ASP 113 2HB ASP 113 12.514 9.275 7.172 767 H GLU 114 H GLU 114 8.925 8.969 6.114 768 HA GLU 114 HA GLU 114 8.654 7.111 8.260 769 HB2 GLU 114 1HB GLU 114 6.542 8.632 6.718 770 HB3 GLU 114 2HB GLU 114 6.303 7.815 8.257 771 HG2 GLU 114 1HG GLU 114 8.188 10.116 7.806 772 HG3 GLU 114 2HG GLU 114 6.565 10.254 8.479 773 H ALA 115 H ALA 115 7.499 7.259 4.910 774 HA ALA 115 HA ALA 115 6.052 4.874 4.849 775 HB1 ALA 115 1HB ALA 115 6.352 4.931 2.434 776 HB2 ALA 115 2HB ALA 115 7.659 6.102 2.610 777 HB3 ALA 115 3HB ALA 115 6.010 6.547 3.052 778 H LYS 116 H LYS 116 9.473 5.507 4.402 779 HA LYS 116 HA LYS 116 10.362 3.013 3.580 780 HB2 LYS 116 1HB LYS 116 11.791 4.974 3.578 781 HB3 LYS 116 2HB LYS 116 11.710 5.072 5.330 782 HG2 LYS 116 1HG LYS 116 12.872 2.895 5.469 783 HG3 LYS 116 2HG LYS 116 13.026 2.903 3.711 784 HD2 LYS 116 1HD LYS 116 15.075 3.691 4.799 785 HD3 LYS 116 2HD LYS 116 14.333 4.959 3.822 786 HE2 LYS 116 1HE LYS 116 13.397 5.990 5.793 787 HE3 LYS 116 2HE LYS 116 13.978 4.667 6.801 788 HZ1 LYS 116 1HZ LYS 116 15.700 6.545 5.282 789 HZ2 LYS 116 2HZ LYS 116 16.236 5.310 6.306 790 HZ3 LYS 116 3HZ LYS 116 15.392 6.628 6.942 791 H ARG 117 H ARG 117 9.902 4.244 6.895 792 HA ARG 117 HA ARG 117 10.968 1.906 8.107 793 HB2 ARG 117 1HB ARG 117 10.451 2.852 10.172 794 HB3 ARG 117 2HB ARG 117 10.718 4.251 9.147 795 HG2 ARG 117 1HG ARG 117 8.333 4.587 8.929 796 HG3 ARG 117 2HG ARG 117 8.019 3.122 9.861 797 HD2 ARG 117 1HD ARG 117 7.753 4.943 11.353 798 HD3 ARG 117 2HD ARG 117 9.289 4.184 11.753 799 HE ARG 117 HE ARG 117 9.001 6.703 10.246 800 HH11 ARG 117 1HH1 ARG 117 10.873 4.587 12.323 801 HH12 ARG 117 2HH1 ARG 117 12.090 5.780 12.645 802 HH21 ARG 117 1HH2 ARG 117 10.588 8.265 10.668 803 HH22 ARG 117 2HH2 ARG 117 11.932 7.870 11.701 804 H TRP 118 H TRP 118 7.789 2.829 7.009 805 HA TRP 118 HA TRP 118 6.389 0.759 8.377 806 HB2 TRP 118 1HB TRP 118 5.627 2.358 5.929 807 HB3 TRP 118 2HB TRP 118 4.550 1.239 6.757 808 HD1 TRP 118 HD1 TRP 118 4.683 4.669 6.439 809 HE1 TRP 118 HE1 TRP 118 4.025 5.965 8.561 810 HE3 TRP 118 HE3 TRP 118 5.248 0.936 9.891 811 HZ2 TRP 118 HZ2 TRP 118 3.780 5.475 11.324 812 HZ3 TRP 118 HZ3 TRP 118 4.782 1.438 12.249 813 HH2 TRP 118 HH2 TRP 118 4.064 3.659 12.951 814 H ILE 119 H ILE 119 7.694 1.083 5.091 815 HA ILE 119 HA ILE 119 6.823 -1.433 4.172 816 HB ILE 119 HB ILE 119 9.235 0.160 3.285 817 HG12 ILE 119 1HG1 ILE 119 6.430 0.022 2.152 818 HG13 ILE 119 2HG1 ILE 119 7.084 1.363 3.087 819 HG21 ILE 119 1HG2 ILE 119 9.424 -2.163 2.587 820 HG22 ILE 119 2HG2 ILE 119 9.069 -1.136 1.198 821 HG23 ILE 119 3HG2 ILE 119 7.792 -2.115 1.921 822 HD11 ILE 119 1HD1 ILE 119 8.739 1.770 1.339 823 HD12 ILE 119 2HD1 ILE 119 7.091 1.861 0.717 824 HD13 ILE 119 3HD1 ILE 119 8.074 0.431 0.403 825 H LYS 120 H LYS 120 9.803 -0.403 5.788 826 HA LYS 120 HA LYS 120 11.155 -2.853 5.775 827 HB2 LYS 120 1HB LYS 120 12.248 -0.799 6.480 828 HB3 LYS 120 2HB LYS 120 11.154 -0.648 7.847 829 HG2 LYS 120 1HG LYS 120 13.300 -1.446 8.592 830 HG3 LYS 120 2HG LYS 120 12.088 -2.706 8.806 831 HD2 LYS 120 1HD LYS 120 12.852 -3.796 6.758 832 HD3 LYS 120 2HD LYS 120 14.053 -2.524 6.522 833 HE2 LYS 120 1HE LYS 120 13.928 -4.422 8.866 834 HE3 LYS 120 2HE LYS 120 15.040 -4.545 7.503 835 HZ1 LYS 120 1HZ LYS 120 16.116 -3.520 9.386 836 HZ2 LYS 120 2HZ LYS 120 14.928 -2.322 9.472 837 HZ3 LYS 120 3HZ LYS 120 15.965 -2.389 8.139 838 H GLU 121 H GLU 121 8.851 -1.517 8.106 839 HA GLU 121 HA GLU 121 8.818 -3.667 9.910 840 HB2 GLU 121 1HB GLU 121 7.906 -1.445 10.413 841 HB3 GLU 121 2HB GLU 121 6.644 -1.683 9.216 842 HG2 GLU 121 1HG GLU 121 5.789 -3.575 10.554 843 HG3 GLU 121 2HG GLU 121 7.002 -3.209 11.782 844 H PHE 122 H PHE 122 7.220 -3.141 6.872 845 HA PHE 122 HA PHE 122 5.328 -5.284 7.166 846 HB2 PHE 122 1HB PHE 122 4.905 -3.224 5.830 847 HB3 PHE 122 2HB PHE 122 6.149 -3.738 4.698 848 HD1 PHE 122 HD1 PHE 122 2.996 -4.983 6.246 849 HD2 PHE 122 HD2 PHE 122 5.507 -4.872 2.813 850 HE1 PHE 122 HE1 PHE 122 1.290 -6.203 4.963 851 HE2 PHE 122 HE2 PHE 122 3.809 -6.096 1.524 852 HZ PHE 122 HZ PHE 122 1.695 -6.760 2.598 853 H SER 123 H SER 123 8.550 -4.902 5.945 854 HA SER 123 HA SER 123 8.520 -7.247 4.287 855 HB2 SER 123 1HB SER 123 10.908 -5.703 5.306 856 HB3 SER 123 2HB SER 123 10.876 -6.814 3.942 857 HG SER 123 HG SER 123 9.279 -4.474 4.058 858 H GLU 124 H GLU 124 9.597 -6.449 7.555 859 HA GLU 124 HA GLU 124 10.292 -9.289 7.911 860 HB2 GLU 124 1HB GLU 124 12.235 -7.660 7.939 861 HB3 GLU 124 2HB GLU 124 11.554 -7.005 9.424 862 HG2 GLU 124 1HG GLU 124 13.352 -8.634 9.824 863 HG3 GLU 124 2HG GLU 124 11.812 -9.121 10.535 864 H GLU 125 H GLU 125 9.202 -10.344 9.405 865 HA GLU 125 HA GLU 125 7.163 -8.987 10.890 866 HB2 GLU 125 1HB GLU 125 6.592 -11.281 11.711 867 HB3 GLU 125 2HB GLU 125 6.579 -11.109 9.964 868 HG2 GLU 125 1HG GLU 125 8.762 -12.184 9.834 869 HG3 GLU 125 2HG GLU 125 8.795 -12.338 11.589 Start of MODEL 5 1 HA MET 21 HA MET 21 1.943 -16.063 0.260 2 HB2 MET 21 1HB MET 21 3.466 -17.160 1.810 3 HB3 MET 21 2HB MET 21 4.855 -16.544 0.929 4 HG2 MET 21 1HG MET 21 4.254 -14.267 1.548 5 HG3 MET 21 2HG MET 21 2.843 -14.870 2.414 6 HE1 MET 21 1HE MET 21 6.417 -16.548 2.290 7 HE2 MET 21 2HE MET 21 7.193 -15.776 3.671 8 HE3 MET 21 3HE MET 21 6.760 -14.818 2.255 9 H ARG 22 H ARG 22 1.880 -13.885 -0.085 10 HA ARG 22 HA ARG 22 3.918 -12.754 -1.889 11 HB2 ARG 22 1HB ARG 22 0.930 -12.353 -2.079 12 HB3 ARG 22 2HB ARG 22 2.119 -11.475 -3.027 13 HG2 ARG 22 1HG ARG 22 1.619 -14.441 -3.113 14 HG3 ARG 22 2HG ARG 22 1.092 -13.256 -4.310 15 HD2 ARG 22 1HD ARG 22 3.951 -13.885 -3.588 16 HD3 ARG 22 2HD ARG 22 3.097 -14.441 -5.021 17 HE ARG 22 HE ARG 22 2.844 -11.805 -5.276 18 HH11 ARG 22 1HH1 ARG 22 5.648 -13.752 -4.482 19 HH12 ARG 22 2HH1 ARG 22 6.776 -12.661 -5.223 20 HH21 ARG 22 1HH2 ARG 22 4.332 -10.373 -6.282 21 HH22 ARG 22 2HH2 ARG 22 6.029 -10.743 -6.236 22 H LEU 23 H LEU 23 4.505 -10.654 -1.506 23 HA LEU 23 HA LEU 23 3.075 -9.234 0.641 24 HB2 LEU 23 1HB LEU 23 6.045 -9.258 0.091 25 HB3 LEU 23 2HB LEU 23 5.259 -8.158 1.203 26 HG LEU 23 HG LEU 23 4.416 -10.365 2.342 27 HD11 LEU 23 1HD1 LEU 23 5.255 -11.888 0.635 28 HD12 LEU 23 2HD1 LEU 23 6.031 -12.187 2.190 29 HD13 LEU 23 3HD1 LEU 23 6.900 -11.318 0.925 30 HD21 LEU 23 1HD2 LEU 23 5.844 -8.707 3.392 31 HD22 LEU 23 2HD2 LEU 23 7.252 -9.376 2.567 32 HD23 LEU 23 3HD2 LEU 23 6.397 -10.336 3.773 33 H VAL 24 H VAL 24 2.131 -7.462 -0.101 34 HA VAL 24 HA VAL 24 3.158 -6.311 -2.614 35 HB VAL 24 HB VAL 24 0.252 -6.605 -1.846 36 HG11 VAL 24 1HG1 VAL 24 -0.187 -5.962 -4.169 37 HG12 VAL 24 2HG1 VAL 24 1.542 -5.733 -4.430 38 HG13 VAL 24 3HG1 VAL 24 0.676 -4.696 -3.296 39 HG21 VAL 24 1HG2 VAL 24 1.830 -8.187 -3.871 40 HG22 VAL 24 2HG2 VAL 24 0.114 -8.361 -3.505 41 HG23 VAL 24 3HG2 VAL 24 1.321 -8.778 -2.289 42 H VAL 25 H VAL 25 3.306 -4.167 -2.751 43 HA VAL 25 HA VAL 25 2.180 -2.533 -0.569 44 HB VAL 25 HB VAL 25 4.749 -2.048 -2.096 45 HG11 VAL 25 1HG1 VAL 25 3.620 0.021 -1.490 46 HG12 VAL 25 2HG1 VAL 25 5.088 -0.197 -0.536 47 HG13 VAL 25 3HG1 VAL 25 3.511 -0.515 0.186 48 HG21 VAL 25 1HG2 VAL 25 4.315 -2.887 0.771 49 HG22 VAL 25 2HG2 VAL 25 5.867 -2.451 0.057 50 HG23 VAL 25 3HG2 VAL 25 5.003 -3.877 -0.517 51 H LEU 26 H LEU 26 0.584 -1.282 -1.332 52 HA LEU 26 HA LEU 26 0.772 -0.335 -4.118 53 HB2 LEU 26 1HB LEU 26 -1.589 -1.150 -2.450 54 HB3 LEU 26 2HB LEU 26 -1.785 -0.107 -3.848 55 HG LEU 26 HG LEU 26 -0.375 -2.744 -4.115 56 HD11 LEU 26 1HD1 LEU 26 -3.347 -2.292 -4.305 57 HD12 LEU 26 2HD1 LEU 26 -2.523 -3.226 -3.056 58 HD13 LEU 26 3HD1 LEU 26 -2.488 -3.771 -4.732 59 HD21 LEU 26 1HD2 LEU 26 -0.270 -1.074 -5.932 60 HD22 LEU 26 2HD2 LEU 26 -2.032 -1.109 -6.031 61 HD23 LEU 26 3HD2 LEU 26 -1.097 -2.557 -6.407 62 H ILE 27 H ILE 27 1.234 1.746 -4.259 63 HA ILE 27 HA ILE 27 0.594 3.469 -1.952 64 HB ILE 27 HB ILE 27 2.592 4.049 -4.144 65 HG12 ILE 27 1HG1 ILE 27 3.032 2.841 -1.402 66 HG13 ILE 27 2HG1 ILE 27 3.332 2.069 -2.955 67 HG21 ILE 27 1HG2 ILE 27 1.753 6.017 -2.979 68 HG22 ILE 27 2HG2 ILE 27 3.443 5.723 -2.572 69 HG23 ILE 27 3HG2 ILE 27 2.172 5.292 -1.427 70 HD11 ILE 27 1HD1 ILE 27 4.795 4.473 -1.896 71 HD12 ILE 27 2HD1 ILE 27 5.112 3.644 -3.421 72 HD13 ILE 27 3HD1 ILE 27 5.392 2.815 -1.890 73 H VAL 28 H VAL 28 -0.747 5.175 -2.171 74 HA VAL 28 HA VAL 28 -1.802 5.741 -4.868 75 HB VAL 28 HB VAL 28 -2.972 6.621 -2.228 76 HG11 VAL 28 1HG1 VAL 28 -4.155 6.404 -4.989 77 HG12 VAL 28 2HG1 VAL 28 -3.728 7.891 -4.143 78 HG13 VAL 28 3HG1 VAL 28 -5.033 6.875 -3.535 79 HG21 VAL 28 1HG2 VAL 28 -2.890 4.211 -2.203 80 HG22 VAL 28 2HG2 VAL 28 -3.614 4.142 -3.810 81 HG23 VAL 28 3HG2 VAL 28 -4.553 4.748 -2.446 82 H SER 29 H SER 29 -0.271 7.196 -5.608 83 HA SER 29 HA SER 29 -0.615 9.890 -4.901 84 HB2 SER 29 1HB SER 29 1.733 10.317 -4.056 85 HB3 SER 29 2HB SER 29 0.691 9.451 -2.925 86 HG SER 29 HG SER 29 1.701 7.515 -4.080 87 H ASN 30 H ASN 30 1.218 11.262 -6.001 88 HA ASN 30 HA ASN 30 2.853 9.693 -7.827 89 HB2 ASN 30 1HB ASN 30 0.872 10.510 -9.146 90 HB3 ASN 30 2HB ASN 30 1.367 12.159 -8.772 91 HD21 ASN 30 1HD2 ASN 30 2.075 9.290 -10.586 92 HD22 ASN 30 2HD2 ASN 30 3.263 9.996 -11.635 93 H ASP 31 H ASP 31 4.337 10.192 -6.135 94 HA ASP 31 HA ASP 31 5.596 12.817 -6.568 95 HB2 ASP 31 1HB ASP 31 4.687 12.626 -4.259 96 HB3 ASP 31 2HB ASP 31 5.671 11.189 -4.014 97 H LYS 32 H LYS 32 7.569 12.661 -7.442 98 HA LYS 32 HA LYS 32 8.391 10.106 -8.328 99 HB2 LYS 32 1HB LYS 32 9.837 12.748 -8.498 100 HB3 LYS 32 2HB LYS 32 10.290 11.287 -9.365 101 HG2 LYS 32 1HG LYS 32 7.795 12.926 -9.705 102 HG3 LYS 32 2HG LYS 32 9.089 12.667 -10.874 103 HD2 LYS 32 1HD LYS 32 8.508 10.241 -10.877 104 HD3 LYS 32 2HD LYS 32 7.124 10.620 -9.851 105 HE2 LYS 32 1HE LYS 32 6.339 10.489 -12.093 106 HE3 LYS 32 2HE LYS 32 6.341 12.190 -11.632 107 HZ1 LYS 32 1HZ LYS 32 8.460 12.441 -12.800 108 HZ2 LYS 32 2HZ LYS 32 7.237 11.914 -13.839 109 HZ3 LYS 32 3HZ LYS 32 8.398 10.820 -13.277 110 H LYS 33 H LYS 33 9.471 12.137 -5.670 111 HA LYS 33 HA LYS 33 11.832 10.551 -5.227 112 HB2 LYS 33 1HB LYS 33 11.708 12.939 -4.567 113 HB3 LYS 33 2HB LYS 33 10.497 12.519 -3.362 114 HG2 LYS 33 1HG LYS 33 12.126 11.086 -2.231 115 HG3 LYS 33 2HG LYS 33 13.340 11.525 -3.435 116 HD2 LYS 33 1HD LYS 33 13.124 13.879 -2.759 117 HD3 LYS 33 2HD LYS 33 11.959 13.405 -1.526 118 HE2 LYS 33 1HE LYS 33 13.674 11.990 -0.478 119 HE3 LYS 33 2HE LYS 33 14.837 12.529 -1.689 120 HZ1 LYS 33 1HZ LYS 33 14.481 14.815 -0.885 121 HZ2 LYS 33 2HZ LYS 33 15.118 13.796 0.304 122 HZ3 LYS 33 3HZ LYS 33 13.483 14.217 0.344 123 H LEU 34 H LEU 34 8.660 10.883 -3.686 124 HA LEU 34 HA LEU 34 8.972 9.025 -1.630 125 HB2 LEU 34 1HB LEU 34 7.048 10.576 -1.899 126 HB3 LEU 34 2HB LEU 34 6.474 9.592 -3.230 127 HG LEU 34 HG LEU 34 6.539 7.685 -1.387 128 HD11 LEU 34 1HD1 LEU 34 5.903 8.504 0.797 129 HD12 LEU 34 2HD1 LEU 34 6.042 10.172 0.240 130 HD13 LEU 34 3HD1 LEU 34 7.480 9.154 0.346 131 HD21 LEU 34 1HD2 LEU 34 4.582 8.349 -2.657 132 HD22 LEU 34 2HD2 LEU 34 4.366 9.760 -1.621 133 HD23 LEU 34 3HD2 LEU 34 4.174 8.139 -0.955 134 H ILE 35 H ILE 35 7.640 8.536 -4.888 135 HA ILE 35 HA ILE 35 7.008 5.826 -4.564 136 HB ILE 35 HB ILE 35 7.551 7.414 -7.069 137 HG12 ILE 35 1HG1 ILE 35 4.967 6.462 -5.810 138 HG13 ILE 35 2HG1 ILE 35 5.599 8.100 -5.695 139 HG21 ILE 35 1HG2 ILE 35 6.461 4.616 -6.775 140 HG22 ILE 35 2HG2 ILE 35 7.961 5.093 -7.574 141 HG23 ILE 35 3HG2 ILE 35 6.407 5.564 -8.263 142 HD11 ILE 35 1HD1 ILE 35 5.371 8.377 -8.093 143 HD12 ILE 35 2HD1 ILE 35 3.834 7.897 -7.371 144 HD13 ILE 35 3HD1 ILE 35 4.805 6.713 -8.246 145 H GLU 36 H GLU 36 9.857 7.310 -6.132 146 HA GLU 36 HA GLU 36 10.966 4.873 -6.971 147 HB2 GLU 36 1HB GLU 36 12.268 7.541 -6.455 148 HB3 GLU 36 2HB GLU 36 13.112 6.169 -7.157 149 HG2 GLU 36 1HG GLU 36 11.418 6.139 -8.979 150 HG3 GLU 36 2HG GLU 36 10.750 7.627 -8.312 151 H GLU 37 H GLU 37 11.859 6.901 -4.167 152 HA GLU 37 HA GLU 37 13.894 5.186 -3.278 153 HB2 GLU 37 1HB GLU 37 13.610 7.568 -2.587 154 HB3 GLU 37 2HB GLU 37 12.249 7.079 -1.587 155 HG2 GLU 37 1HG GLU 37 13.688 5.718 -0.215 156 HG3 GLU 37 2HG GLU 37 15.061 6.056 -1.267 157 H ALA 38 H ALA 38 10.439 5.239 -2.612 158 HA ALA 38 HA ALA 38 10.495 3.282 -0.552 159 HB1 ALA 38 1HB ALA 38 8.585 4.772 -0.843 160 HB2 ALA 38 2HB ALA 38 8.084 3.082 -0.940 161 HB3 ALA 38 3HB ALA 38 8.243 4.043 -2.412 162 H ARG 39 H ARG 39 9.927 3.120 -4.057 163 HA ARG 39 HA ARG 39 9.440 0.336 -4.116 164 HB2 ARG 39 1HB ARG 39 8.735 1.833 -5.927 165 HB3 ARG 39 2HB ARG 39 10.420 2.134 -6.335 166 HG2 ARG 39 1HG ARG 39 10.726 -0.197 -6.921 167 HG3 ARG 39 2HG ARG 39 9.066 -0.551 -6.450 168 HD2 ARG 39 1HD ARG 39 8.204 0.787 -8.234 169 HD3 ARG 39 2HD ARG 39 9.813 1.400 -8.621 170 HE ARG 39 HE ARG 39 10.252 -1.151 -9.015 171 HH11 ARG 39 1HH1 ARG 39 7.389 0.678 -9.896 172 HH12 ARG 39 2HH1 ARG 39 7.006 -0.334 -11.250 173 HH21 ARG 39 1HH2 ARG 39 9.762 -2.464 -10.801 174 HH22 ARG 39 2HH2 ARG 39 8.361 -2.127 -11.768 175 H LYS 40 H LYS 40 12.381 2.244 -4.369 176 HA LYS 40 HA LYS 40 14.116 0.231 -5.254 177 HB2 LYS 40 1HB LYS 40 14.690 2.569 -3.428 178 HB3 LYS 40 2HB LYS 40 15.919 1.582 -4.197 179 HG2 LYS 40 1HG LYS 40 13.921 3.374 -5.556 180 HG3 LYS 40 2HG LYS 40 15.663 3.618 -5.429 181 HD2 LYS 40 1HD LYS 40 14.339 1.325 -6.873 182 HD3 LYS 40 2HD LYS 40 14.951 2.784 -7.647 183 HE2 LYS 40 1HE LYS 40 16.604 0.834 -6.048 184 HE3 LYS 40 2HE LYS 40 16.522 0.895 -7.807 185 HZ1 LYS 40 1HZ LYS 40 17.405 3.154 -7.717 186 HZ2 LYS 40 2HZ LYS 40 18.466 2.046 -7.006 187 HZ3 LYS 40 3HZ LYS 40 17.524 3.054 -6.034 188 H MET 41 H MET 41 13.053 1.100 -2.000 189 HA MET 41 HA MET 41 14.711 -0.897 -0.761 190 HB2 MET 41 1HB MET 41 12.412 0.714 0.367 191 HB3 MET 41 2HB MET 41 13.494 -0.302 1.308 192 HG2 MET 41 1HG MET 41 14.263 2.154 -0.251 193 HG3 MET 41 2HG MET 41 14.117 2.026 1.501 194 HE1 MET 41 1HE MET 41 16.696 3.168 -0.001 195 HE2 MET 41 2HE MET 41 17.980 2.411 0.941 196 HE3 MET 41 3HE MET 41 16.556 3.059 1.754 197 H ALA 42 H ALA 42 11.459 -0.672 -1.963 198 HA ALA 42 HA ALA 42 10.387 -2.936 -0.652 199 HB1 ALA 42 1HB ALA 42 8.997 -1.183 -1.656 200 HB2 ALA 42 2HB ALA 42 8.569 -2.786 -2.251 201 HB3 ALA 42 3HB ALA 42 9.521 -1.697 -3.259 202 H GLU 43 H GLU 43 11.623 -2.540 -3.987 203 HA GLU 43 HA GLU 43 11.329 -5.309 -4.593 204 HB2 GLU 43 1HB GLU 43 12.988 -3.191 -5.971 205 HB3 GLU 43 2HB GLU 43 12.638 -4.788 -6.620 206 HG2 GLU 43 1HG GLU 43 10.207 -4.211 -6.489 207 HG3 GLU 43 2HG GLU 43 10.690 -2.566 -6.080 208 H LYS 44 H LYS 44 13.740 -3.450 -3.017 209 HA LYS 44 HA LYS 44 15.880 -5.324 -3.229 210 HB2 LYS 44 1HB LYS 44 16.176 -2.931 -2.619 211 HB3 LYS 44 2HB LYS 44 15.347 -3.236 -1.101 212 HG2 LYS 44 1HG LYS 44 17.141 -4.857 -0.517 213 HG3 LYS 44 2HG LYS 44 17.995 -4.362 -1.980 214 HD2 LYS 44 1HD LYS 44 17.214 -2.546 0.301 215 HD3 LYS 44 2HD LYS 44 18.830 -3.188 0.009 216 HE2 LYS 44 1HE LYS 44 18.923 -2.010 -2.124 217 HE3 LYS 44 2HE LYS 44 17.289 -1.396 -1.868 218 HZ1 LYS 44 1HZ LYS 44 18.076 -0.204 0.075 219 HZ2 LYS 44 2HZ LYS 44 18.965 0.248 -1.291 220 HZ3 LYS 44 3HZ LYS 44 19.639 -0.804 -0.153 221 H ALA 45 H ALA 45 13.006 -5.090 -1.358 222 HA ALA 45 HA ALA 45 13.913 -7.173 0.506 223 HB1 ALA 45 1HB ALA 45 11.513 -5.353 0.659 224 HB2 ALA 45 2HB ALA 45 13.022 -5.157 1.546 225 HB3 ALA 45 3HB ALA 45 11.982 -6.542 1.873 226 H ASN 46 H ASN 46 12.791 -7.270 -2.398 227 HA ASN 46 HA ASN 46 11.570 -8.699 -3.665 228 HB2 ASN 46 1HB ASN 46 11.678 -10.280 -1.105 229 HB3 ASN 46 2HB ASN 46 10.832 -10.879 -2.525 230 HD21 ASN 46 1HD2 ASN 46 12.213 -12.621 -2.718 231 HD22 ASN 46 2HD2 ASN 46 13.833 -12.455 -3.300 232 H LEU 47 H LEU 47 10.230 -6.533 -2.322 233 HA LEU 47 HA LEU 47 7.579 -7.637 -1.773 234 HB2 LEU 47 1HB LEU 47 8.508 -4.766 -1.659 235 HB3 LEU 47 2HB LEU 47 6.972 -5.382 -1.086 236 HG LEU 47 HG LEU 47 9.683 -6.004 0.087 237 HD11 LEU 47 1HD1 LEU 47 8.890 -4.737 2.006 238 HD12 LEU 47 2HD1 LEU 47 7.375 -4.397 1.168 239 HD13 LEU 47 3HD1 LEU 47 8.890 -3.738 0.552 240 HD21 LEU 47 1HD2 LEU 47 8.440 -7.159 1.846 241 HD22 LEU 47 2HD2 LEU 47 8.191 -7.919 0.275 242 HD23 LEU 47 3HD2 LEU 47 6.939 -6.885 0.964 243 H GLU 48 H GLU 48 5.807 -7.227 -3.039 244 HA GLU 48 HA GLU 48 6.346 -6.317 -5.755 245 HB2 GLU 48 1HB GLU 48 5.059 -8.365 -5.462 246 HB3 GLU 48 2HB GLU 48 3.896 -7.525 -4.451 247 HG2 GLU 48 1HG GLU 48 3.022 -6.322 -6.281 248 HG3 GLU 48 2HG GLU 48 4.375 -6.782 -7.321 249 H LEU 49 H LEU 49 6.479 -4.112 -5.769 250 HA LEU 49 HA LEU 49 4.367 -2.641 -4.360 251 HB2 LEU 49 1HB LEU 49 6.729 -2.169 -3.711 252 HB3 LEU 49 2HB LEU 49 7.018 -1.577 -5.334 253 HG LEU 49 HG LEU 49 4.798 -0.334 -3.778 254 HD11 LEU 49 1HD1 LEU 49 7.714 0.273 -3.323 255 HD12 LEU 49 2HD1 LEU 49 6.605 -0.443 -2.155 256 HD13 LEU 49 3HD1 LEU 49 6.357 1.213 -2.708 257 HD21 LEU 49 1HD2 LEU 49 5.202 0.346 -6.083 258 HD22 LEU 49 2HD2 LEU 49 6.872 0.743 -5.687 259 HD23 LEU 49 3HD2 LEU 49 5.553 1.669 -4.971 260 H ILE 50 H ILE 50 2.896 -1.612 -5.437 261 HA ILE 50 HA ILE 50 3.389 -0.897 -8.247 262 HB ILE 50 HB ILE 50 0.917 -2.190 -7.088 263 HG12 ILE 50 1HG1 ILE 50 2.687 -2.987 -9.409 264 HG13 ILE 50 2HG1 ILE 50 2.755 -3.695 -7.799 265 HG21 ILE 50 1HG2 ILE 50 1.254 -0.938 -9.808 266 HG22 ILE 50 2HG2 ILE 50 0.236 -0.334 -8.499 267 HG23 ILE 50 3HG2 ILE 50 -0.140 -1.876 -9.271 268 HD11 ILE 50 1HD1 ILE 50 0.410 -3.807 -9.682 269 HD12 ILE 50 2HD1 ILE 50 0.473 -4.517 -8.070 270 HD13 ILE 50 3HD1 ILE 50 1.539 -5.118 -9.339 271 H THR 51 H THR 51 2.882 1.169 -8.728 272 HA THR 51 HA THR 51 1.650 2.764 -6.624 273 HB THR 51 HB THR 51 2.300 4.679 -8.244 274 HG1 THR 51 HG1 THR 51 2.931 3.691 -10.076 275 HG21 THR 51 1HG2 THR 51 3.387 4.236 -6.100 276 HG22 THR 51 2HG2 THR 51 4.563 4.716 -7.321 277 HG23 THR 51 3HG2 THR 51 4.410 3.020 -6.864 278 H VAL 52 H VAL 52 -0.309 3.525 -6.709 279 HA VAL 52 HA VAL 52 -1.918 3.036 -9.113 280 HB VAL 52 HB VAL 52 -2.682 3.472 -6.214 281 HG11 VAL 52 1HG1 VAL 52 -4.548 2.951 -8.526 282 HG12 VAL 52 2HG1 VAL 52 -4.336 4.518 -7.736 283 HG13 VAL 52 3HG1 VAL 52 -4.993 3.147 -6.831 284 HG21 VAL 52 1HG2 VAL 52 -1.785 1.262 -6.714 285 HG22 VAL 52 2HG2 VAL 52 -2.962 1.067 -8.013 286 HG23 VAL 52 3HG2 VAL 52 -3.505 1.173 -6.339 287 HA PRO 53 HA PRO 53 -2.616 7.462 -9.909 288 HB2 PRO 53 1HB PRO 53 -5.397 7.089 -10.228 289 HB3 PRO 53 2HB PRO 53 -4.190 7.149 -11.514 290 HG2 PRO 53 1HG PRO 53 -5.414 4.794 -10.167 291 HG3 PRO 53 2HG PRO 53 -4.918 4.991 -11.860 292 HD2 PRO 53 1HD PRO 53 -3.445 3.544 -10.184 293 HD3 PRO 53 2HD PRO 53 -2.661 4.625 -11.359 294 H GLY 54 H GLY 54 -4.001 9.126 -8.958 295 HA2 GLY 54 1HA GLY 54 -3.640 8.988 -6.169 296 HA3 GLY 54 2HA GLY 54 -4.323 10.339 -7.047 297 H SER 55 H SER 55 -6.044 7.437 -7.547 298 HA SER 55 HA SER 55 -8.179 8.360 -5.801 299 HB2 SER 55 1HB SER 55 -9.374 6.368 -6.798 300 HB3 SER 55 2HB SER 55 -8.969 7.676 -7.921 301 HG SER 55 HG SER 55 -7.184 5.528 -7.530 302 HA PRO 56 HA PRO 56 -6.730 5.734 -2.577 303 HB2 PRO 56 1HB PRO 56 -8.703 6.172 -0.821 304 HB3 PRO 56 2HB PRO 56 -7.553 7.428 -1.286 305 HG2 PRO 56 1HG PRO 56 -10.316 6.970 -2.344 306 HG3 PRO 56 2HG PRO 56 -9.598 8.472 -1.726 307 HD2 PRO 56 1HD PRO 56 -9.700 7.932 -4.360 308 HD3 PRO 56 2HD PRO 56 -8.333 8.803 -3.632 309 H GLU 57 H GLU 57 -10.157 5.405 -3.519 310 HA GLU 57 HA GLU 57 -10.380 2.862 -2.240 311 HB2 GLU 57 1HB GLU 57 -12.574 2.874 -3.761 312 HB3 GLU 57 2HB GLU 57 -12.457 3.754 -2.248 313 HG2 GLU 57 1HG GLU 57 -13.480 5.151 -3.892 314 HG3 GLU 57 2HG GLU 57 -11.886 5.793 -3.519 315 H GLU 58 H GLU 58 -9.760 3.949 -5.508 316 HA GLU 58 HA GLU 58 -10.157 1.517 -6.844 317 HB2 GLU 58 1HB GLU 58 -9.800 3.776 -7.900 318 HB3 GLU 58 2HB GLU 58 -8.089 3.606 -7.538 319 HG2 GLU 58 1HG GLU 58 -8.471 3.000 -9.821 320 HG3 GLU 58 2HG GLU 58 -8.042 1.553 -8.909 321 H ALA 59 H ALA 59 -7.420 2.783 -5.056 322 HA ALA 59 HA ALA 59 -5.559 0.779 -5.801 323 HB1 ALA 59 1HB ALA 59 -4.222 1.589 -3.946 324 HB2 ALA 59 2HB ALA 59 -5.607 2.480 -3.314 325 HB3 ALA 59 3HB ALA 59 -4.892 2.942 -4.858 326 H ILE 60 H ILE 60 -7.873 1.092 -3.162 327 HA ILE 60 HA ILE 60 -7.011 -1.256 -1.797 328 HB ILE 60 HB ILE 60 -9.690 0.133 -1.611 329 HG12 ILE 60 1HG1 ILE 60 -7.162 0.513 0.011 330 HG13 ILE 60 2HG1 ILE 60 -7.813 1.658 -1.154 331 HG21 ILE 60 1HG2 ILE 60 -9.834 -0.925 0.588 332 HG22 ILE 60 2HG2 ILE 60 -8.289 -1.729 0.308 333 HG23 ILE 60 3HG2 ILE 60 -9.687 -2.135 -0.688 334 HD11 ILE 60 1HD1 ILE 60 -9.775 1.973 0.236 335 HD12 ILE 60 2HD1 ILE 60 -8.297 2.311 1.138 336 HD13 ILE 60 3HD1 ILE 60 -9.158 0.791 1.390 337 H ARG 61 H ARG 61 -9.406 -0.559 -4.280 338 HA ARG 61 HA ARG 61 -10.551 -3.147 -4.393 339 HB2 ARG 61 1HB ARG 61 -10.208 -1.120 -6.611 340 HB3 ARG 61 2HB ARG 61 -11.270 -2.520 -6.665 341 HG2 ARG 61 1HG ARG 61 -12.565 -1.602 -4.807 342 HG3 ARG 61 2HG ARG 61 -11.506 -0.188 -4.777 343 HD2 ARG 61 1HD ARG 61 -13.451 0.420 -6.006 344 HD3 ARG 61 2HD ARG 61 -12.140 0.222 -7.167 345 HE ARG 61 HE ARG 61 -14.194 -1.841 -6.684 346 HH11 ARG 61 1HH1 ARG 61 -12.086 -0.060 -8.860 347 HH12 ARG 61 2HH1 ARG 61 -12.740 -0.811 -10.284 348 HH21 ARG 61 1HH2 ARG 61 -15.029 -2.824 -8.560 349 HH22 ARG 61 2HH2 ARG 61 -14.401 -2.381 -10.115 350 H LEU 62 H LEU 62 -7.748 -1.662 -5.899 351 HA LEU 62 HA LEU 62 -6.983 -3.830 -7.544 352 HB2 LEU 62 1HB LEU 62 -6.145 -1.293 -7.270 353 HB3 LEU 62 2HB LEU 62 -4.922 -2.076 -6.295 354 HG LEU 62 HG LEU 62 -4.106 -1.711 -8.544 355 HD11 LEU 62 1HD1 LEU 62 -3.308 -3.690 -7.388 356 HD12 LEU 62 2HD1 LEU 62 -3.413 -3.968 -9.126 357 HD13 LEU 62 3HD1 LEU 62 -4.645 -4.629 -8.051 358 HD21 LEU 62 1HD2 LEU 62 -5.111 -2.809 -10.474 359 HD22 LEU 62 2HD2 LEU 62 -6.240 -1.686 -9.719 360 HD23 LEU 62 3HD2 LEU 62 -6.413 -3.421 -9.457 361 H ALA 63 H ALA 63 -6.130 -2.851 -4.253 362 HA ALA 63 HA ALA 63 -4.386 -4.931 -3.604 363 HB1 ALA 63 1HB ALA 63 -4.892 -4.399 -1.275 364 HB2 ALA 63 2HB ALA 63 -6.296 -3.462 -1.787 365 HB3 ALA 63 3HB ALA 63 -4.673 -2.930 -2.227 366 H GLN 64 H GLN 64 -7.901 -4.688 -3.255 367 HA GLN 64 HA GLN 64 -8.393 -7.153 -2.063 368 HB2 GLN 64 1HB GLN 64 -10.086 -5.388 -2.312 369 HB3 GLN 64 2HB GLN 64 -10.115 -5.648 -4.050 370 HG2 GLN 64 1HG GLN 64 -12.021 -6.695 -2.996 371 HG3 GLN 64 2HG GLN 64 -10.956 -7.914 -3.694 372 HE21 GLN 64 1HE2 GLN 64 -9.815 -9.286 -2.349 373 HE22 GLN 64 2HE2 GLN 64 -10.191 -9.460 -0.670 374 H GLU 65 H GLU 65 -8.075 -6.301 -5.483 375 HA GLU 65 HA GLU 65 -8.629 -8.839 -6.552 376 HB2 GLU 65 1HB GLU 65 -7.203 -6.411 -7.529 377 HB3 GLU 65 2HB GLU 65 -6.993 -7.912 -8.417 378 HG2 GLU 65 1HG GLU 65 -9.605 -6.547 -7.829 379 HG3 GLU 65 2HG GLU 65 -8.766 -6.584 -9.379 380 H ILE 66 H ILE 66 -5.473 -7.300 -5.909 381 HA ILE 66 HA ILE 66 -3.917 -9.507 -6.642 382 HB ILE 66 HB ILE 66 -3.245 -7.370 -4.613 383 HG12 ILE 66 1HG1 ILE 66 -2.700 -7.556 -7.586 384 HG13 ILE 66 2HG1 ILE 66 -3.788 -6.419 -6.793 385 HG21 ILE 66 1HG2 ILE 66 -0.892 -7.953 -5.174 386 HG22 ILE 66 2HG2 ILE 66 -1.498 -9.342 -6.077 387 HG23 ILE 66 3HG2 ILE 66 -1.765 -9.237 -4.337 388 HD11 ILE 66 1HD1 ILE 66 -1.866 -5.418 -5.644 389 HD12 ILE 66 2HD1 ILE 66 -1.722 -5.334 -7.399 390 HD13 ILE 66 3HD1 ILE 66 -0.796 -6.532 -6.495 391 H ALA 67 H ALA 67 -5.415 -8.654 -3.577 392 HA ALA 67 HA ALA 67 -4.127 -10.545 -1.964 393 HB1 ALA 67 1HB ALA 67 -5.938 -10.204 -0.386 394 HB2 ALA 67 2HB ALA 67 -6.913 -9.439 -1.641 395 HB3 ALA 67 3HB ALA 67 -5.431 -8.663 -1.082 396 H GLU 68 H GLU 68 -7.302 -10.760 -3.598 397 HA GLU 68 HA GLU 68 -7.739 -13.436 -2.715 398 HB2 GLU 68 1HB GLU 68 -9.678 -13.414 -4.223 399 HB3 GLU 68 2HB GLU 68 -9.624 -11.985 -3.201 400 HG2 GLU 68 1HG GLU 68 -8.809 -10.651 -5.027 401 HG3 GLU 68 2HG GLU 68 -8.681 -12.076 -6.056 402 H LYS 69 H LYS 69 -6.195 -12.032 -5.495 403 HA LYS 69 HA LYS 69 -6.209 -14.559 -6.949 404 HB2 LYS 69 1HB LYS 69 -4.964 -11.899 -7.673 405 HB3 LYS 69 2HB LYS 69 -5.045 -13.303 -8.721 406 HG2 LYS 69 1HG LYS 69 -7.373 -11.688 -7.705 407 HG3 LYS 69 2HG LYS 69 -6.726 -11.694 -9.344 408 HD2 LYS 69 1HD LYS 69 -7.256 -14.178 -9.386 409 HD3 LYS 69 2HD LYS 69 -8.177 -13.899 -7.906 410 HE2 LYS 69 1HE LYS 69 -8.643 -12.630 -10.603 411 HE3 LYS 69 2HE LYS 69 -9.667 -13.818 -9.802 412 HZ1 LYS 69 1HZ LYS 69 -10.610 -11.654 -9.549 413 HZ2 LYS 69 2HZ LYS 69 -9.175 -11.018 -8.928 414 HZ3 LYS 69 3HZ LYS 69 -10.058 -12.160 -8.031 415 H ALA 70 H ALA 70 -4.510 -13.531 -4.419 416 HA ALA 70 HA ALA 70 -1.822 -14.003 -5.384 417 HB1 ALA 70 1HB ALA 70 -1.113 -13.531 -3.119 418 HB2 ALA 70 2HB ALA 70 -2.787 -13.569 -2.566 419 HB3 ALA 70 3HB ALA 70 -2.252 -12.299 -3.668 420 HA PRO 71 HA PRO 71 -1.851 -18.341 -4.303 421 HB2 PRO 71 1HB PRO 71 0.805 -18.772 -4.680 422 HB3 PRO 71 2HB PRO 71 -0.353 -18.673 -6.010 423 HG2 PRO 71 1HG PRO 71 1.546 -16.606 -4.990 424 HG3 PRO 71 2HG PRO 71 1.103 -16.996 -6.660 425 HD2 PRO 71 1HD PRO 71 0.082 -14.875 -5.284 426 HD3 PRO 71 2HD PRO 71 -0.789 -15.707 -6.585 427 H GLY 72 H GLY 72 -2.218 -18.511 -2.162 428 HA2 GLY 72 1HA GLY 72 -1.445 -19.279 -0.085 429 HA3 GLY 72 2HA GLY 72 0.143 -18.626 -0.459 430 HA PRO 73 HA PRO 73 -1.973 -15.874 2.709 431 HB2 PRO 73 1HB PRO 73 0.815 -15.889 3.723 432 HB3 PRO 73 2HB PRO 73 -0.703 -16.066 4.609 433 HG2 PRO 73 1HG PRO 73 0.889 -18.166 4.198 434 HG3 PRO 73 2HG PRO 73 -0.876 -18.327 4.126 435 HD2 PRO 73 1HD PRO 73 1.105 -18.168 1.889 436 HD3 PRO 73 2HD PRO 73 -0.344 -19.183 2.041 437 H VAL 74 H VAL 74 -2.149 -13.833 2.055 438 HA VAL 74 HA VAL 74 0.169 -12.614 0.726 439 HB VAL 74 HB VAL 74 -1.807 -12.947 -0.727 440 HG11 VAL 74 1HG1 VAL 74 -3.166 -10.965 1.090 441 HG12 VAL 74 2HG1 VAL 74 -3.548 -12.682 0.964 442 HG13 VAL 74 3HG1 VAL 74 -3.813 -11.618 -0.414 443 HG21 VAL 74 1HG2 VAL 74 -0.234 -11.177 -1.240 444 HG22 VAL 74 2HG2 VAL 74 -1.101 -10.068 -0.175 445 HG23 VAL 74 3HG2 VAL 74 -1.875 -10.668 -1.642 446 H LYS 75 H LYS 75 0.922 -10.718 1.395 447 HA LYS 75 HA LYS 75 -0.461 -9.352 3.611 448 HB2 LYS 75 1HB LYS 75 2.520 -9.517 3.083 449 HB3 LYS 75 2HB LYS 75 1.755 -8.674 4.422 450 HG2 LYS 75 1HG LYS 75 1.026 -10.726 5.396 451 HG3 LYS 75 2HG LYS 75 1.530 -11.640 3.973 452 HD2 LYS 75 1HD LYS 75 3.862 -11.048 4.416 453 HD3 LYS 75 2HD LYS 75 3.362 -10.118 5.831 454 HE2 LYS 75 1HE LYS 75 2.580 -12.101 6.929 455 HE3 LYS 75 2HE LYS 75 2.842 -13.064 5.477 456 HZ1 LYS 75 1HZ LYS 75 5.189 -12.746 5.684 457 HZ2 LYS 75 2HZ LYS 75 4.599 -13.336 7.150 458 HZ3 LYS 75 3HZ LYS 75 4.999 -11.696 6.998 459 H VAL 76 H VAL 76 -1.461 -7.699 2.549 460 HA VAL 76 HA VAL 76 0.247 -6.005 0.862 461 HB VAL 76 HB VAL 76 -1.183 -7.234 -0.645 462 HG11 VAL 76 1HG1 VAL 76 -3.637 -7.070 -0.523 463 HG12 VAL 76 2HG1 VAL 76 -3.476 -6.243 1.027 464 HG13 VAL 76 3HG1 VAL 76 -2.933 -7.912 0.859 465 HG21 VAL 76 1HG2 VAL 76 -2.217 -4.420 -0.305 466 HG22 VAL 76 2HG2 VAL 76 -2.356 -5.405 -1.761 467 HG23 VAL 76 3HG2 VAL 76 -0.769 -4.887 -1.194 468 H LEU 77 H LEU 77 0.118 -3.858 1.198 469 HA LEU 77 HA LEU 77 -2.097 -2.861 2.833 470 HB2 LEU 77 1HB LEU 77 -0.747 -1.640 4.290 471 HB3 LEU 77 2HB LEU 77 0.036 -3.201 4.187 472 HG LEU 77 HG LEU 77 0.935 -0.743 2.682 473 HD11 LEU 77 1HD1 LEU 77 2.754 -0.645 4.314 474 HD12 LEU 77 2HD1 LEU 77 2.014 -1.969 5.215 475 HD13 LEU 77 3HD1 LEU 77 1.180 -0.421 5.075 476 HD21 LEU 77 1HD2 LEU 77 1.586 -2.827 1.604 477 HD22 LEU 77 2HD2 LEU 77 2.274 -3.408 3.121 478 HD23 LEU 77 3HD2 LEU 77 2.984 -2.014 2.307 479 H VAL 78 H VAL 78 -2.777 -0.808 2.386 480 HA VAL 78 HA VAL 78 -1.793 0.301 -0.149 481 HB VAL 78 HB VAL 78 -4.379 0.883 1.309 482 HG11 VAL 78 1HG1 VAL 78 -3.659 2.744 -0.084 483 HG12 VAL 78 2HG1 VAL 78 -5.070 1.952 -0.785 484 HG13 VAL 78 3HG1 VAL 78 -3.468 1.657 -1.460 485 HG21 VAL 78 1HG2 VAL 78 -5.442 -0.450 -0.465 486 HG22 VAL 78 2HG2 VAL 78 -4.337 -1.408 0.520 487 HG23 VAL 78 3HG2 VAL 78 -3.846 -0.869 -1.086 488 H LEU 79 H LEU 79 -0.843 2.247 -0.222 489 HA LEU 79 HA LEU 79 -0.566 3.682 2.333 490 HB2 LEU 79 1HB LEU 79 1.317 3.511 -0.019 491 HB3 LEU 79 2HB LEU 79 1.547 4.593 1.337 492 HG LEU 79 HG LEU 79 2.979 2.756 1.697 493 HD11 LEU 79 1HD1 LEU 79 2.195 1.792 3.765 494 HD12 LEU 79 2HD1 LEU 79 0.538 2.263 3.385 495 HD13 LEU 79 3HD1 LEU 79 1.759 3.501 3.685 496 HD21 LEU 79 1HD2 LEU 79 1.986 1.196 0.119 497 HD22 LEU 79 2HD2 LEU 79 0.632 0.930 1.220 498 HD23 LEU 79 3HD2 LEU 79 2.260 0.433 1.685 499 H ILE 80 H ILE 80 -2.156 5.182 2.219 500 HA ILE 80 HA ILE 80 -2.238 6.970 -0.097 501 HB ILE 80 HB ILE 80 -4.167 8.036 1.064 502 HG12 ILE 80 1HG1 ILE 80 -3.861 5.761 3.039 503 HG13 ILE 80 2HG1 ILE 80 -3.491 7.448 3.376 504 HG21 ILE 80 1HG2 ILE 80 -4.558 6.305 -0.583 505 HG22 ILE 80 2HG2 ILE 80 -5.743 6.182 0.717 506 HG23 ILE 80 3HG2 ILE 80 -4.386 5.058 0.652 507 HD11 ILE 80 1HD1 ILE 80 -5.650 6.817 4.285 508 HD12 ILE 80 2HD1 ILE 80 -6.202 6.344 2.678 509 HD13 ILE 80 3HD1 ILE 80 -5.830 8.034 3.021 510 H THR 81 H THR 81 -1.964 9.292 0.223 511 HA THR 81 HA THR 81 0.241 9.842 1.924 512 HB THR 81 HB THR 81 0.063 12.162 1.159 513 HG1 THR 81 HG1 THR 81 -2.515 11.483 0.753 514 HG21 THR 81 1HG2 THR 81 1.160 10.524 -0.285 515 HG22 THR 81 2HG2 THR 81 0.341 11.761 -1.238 516 HG23 THR 81 3HG2 THR 81 -0.383 10.164 -1.059 517 H GLY 82 H GLY 82 0.342 11.424 3.612 518 HA2 GLY 82 1HA GLY 82 -1.193 10.781 5.770 519 HA3 GLY 82 2HA GLY 82 -0.307 12.284 5.634 520 H SER 83 H SER 83 -1.556 13.937 4.153 521 HA SER 83 HA SER 83 -4.076 14.334 5.470 522 HB2 SER 83 1HB SER 83 -2.750 15.974 3.297 523 HB3 SER 83 2HB SER 83 -4.113 16.480 4.296 524 HG SER 83 HG SER 83 -2.317 15.735 6.005 525 H ALA 84 H ALA 84 -5.548 12.886 4.804 526 HA ALA 84 HA ALA 84 -6.110 12.624 1.947 527 HB1 ALA 84 1HB ALA 84 -7.256 11.108 4.293 528 HB2 ALA 84 2HB ALA 84 -5.937 10.558 3.259 529 HB3 ALA 84 3HB ALA 84 -7.556 10.765 2.589 530 H ASP 85 H ASP 85 -7.742 13.650 1.024 531 HA ASP 85 HA ASP 85 -9.236 15.608 2.427 532 HB2 ASP 85 1HB ASP 85 -8.707 15.896 0.074 533 HB3 ASP 85 2HB ASP 85 -9.576 14.426 -0.341 534 HA PRO 86 HA PRO 86 -12.735 13.614 4.293 535 HB2 PRO 86 1HB PRO 86 -14.231 15.395 2.401 536 HB3 PRO 86 2HB PRO 86 -14.561 15.044 4.100 537 HG2 PRO 86 1HG PRO 86 -13.300 17.290 3.349 538 HG3 PRO 86 2HG PRO 86 -12.902 16.451 4.855 539 HD2 PRO 86 1HD PRO 86 -11.325 16.711 2.395 540 HD3 PRO 86 2HD PRO 86 -10.800 16.247 4.025 541 H ASP 87 H ASP 87 -13.066 14.167 0.765 542 HA ASP 87 HA ASP 87 -14.944 12.043 0.419 543 HB2 ASP 87 1HB ASP 87 -14.868 13.961 -1.109 544 HB3 ASP 87 2HB ASP 87 -13.259 13.486 -1.638 545 H GLU 88 H GLU 88 -11.469 12.262 0.274 546 HA GLU 88 HA GLU 88 -11.053 9.737 -1.001 547 HB2 GLU 88 1HB GLU 88 -9.177 11.306 0.782 548 HB3 GLU 88 2HB GLU 88 -8.725 9.966 -0.259 549 HG2 GLU 88 1HG GLU 88 -9.396 11.303 -2.216 550 HG3 GLU 88 2HG GLU 88 -9.742 12.656 -1.141 551 H LYS 89 H LYS 89 -11.162 10.903 2.315 552 HA LYS 89 HA LYS 89 -10.292 8.489 3.513 553 HB2 LYS 89 1HB LYS 89 -10.153 10.734 4.578 554 HB3 LYS 89 2HB LYS 89 -11.901 10.714 4.768 555 HG2 LYS 89 1HG LYS 89 -11.760 8.810 6.243 556 HG3 LYS 89 2HG LYS 89 -10.020 8.698 5.980 557 HD2 LYS 89 1HD LYS 89 -10.450 9.779 8.098 558 HD3 LYS 89 2HD LYS 89 -9.760 10.947 6.970 559 HE2 LYS 89 1HE LYS 89 -12.001 11.815 6.508 560 HE3 LYS 89 2HE LYS 89 -12.686 10.650 7.640 561 HZ1 LYS 89 1HZ LYS 89 -11.464 11.695 9.424 562 HZ2 LYS 89 2HZ LYS 89 -12.404 12.850 8.628 563 HZ3 LYS 89 3HZ LYS 89 -10.741 12.776 8.347 564 H THR 90 H THR 90 -13.504 9.815 2.818 565 HA THR 90 HA THR 90 -15.009 7.890 4.201 566 HB THR 90 HB THR 90 -16.760 8.421 2.358 567 HG1 THR 90 HG1 THR 90 -16.216 9.887 0.905 568 HG21 THR 90 1HG2 THR 90 -17.279 10.566 3.408 569 HG22 THR 90 2HG2 THR 90 -15.668 10.606 4.121 570 HG23 THR 90 3HG2 THR 90 -16.815 9.358 4.605 571 H LYS 91 H LYS 91 -13.905 8.007 0.847 572 HA LYS 91 HA LYS 91 -15.061 5.562 0.077 573 HB2 LYS 91 1HB LYS 91 -12.764 7.152 -1.063 574 HB3 LYS 91 2HB LYS 91 -13.418 5.714 -1.834 575 HG2 LYS 91 1HG LYS 91 -15.517 6.760 -2.197 576 HG3 LYS 91 2HG LYS 91 -15.078 8.131 -1.178 577 HD2 LYS 91 1HD LYS 91 -13.394 8.824 -2.762 578 HD3 LYS 91 2HD LYS 91 -13.685 7.389 -3.747 579 HE2 LYS 91 1HE LYS 91 -15.858 8.136 -4.339 580 HE3 LYS 91 2HE LYS 91 -15.811 9.427 -3.142 581 HZ1 LYS 91 1HZ LYS 91 -14.003 9.271 -5.488 582 HZ2 LYS 91 2HZ LYS 91 -14.165 10.564 -4.399 583 HZ3 LYS 91 3HZ LYS 91 -15.433 10.172 -5.447 584 H ALA 92 H ALA 92 -11.970 6.402 1.499 585 HA ALA 92 HA ALA 92 -10.728 3.884 1.038 586 HB1 ALA 92 1HB ALA 92 -9.010 4.662 2.590 587 HB2 ALA 92 2HB ALA 92 -10.039 6.017 3.058 588 HB3 ALA 92 3HB ALA 92 -9.413 5.913 1.412 589 H LYS 93 H LYS 93 -12.499 5.327 3.746 590 HA LYS 93 HA LYS 93 -11.891 3.291 5.590 591 HB2 LYS 93 1HB LYS 93 -12.777 5.592 6.145 592 HB3 LYS 93 2HB LYS 93 -14.365 5.021 5.648 593 HG2 LYS 93 1HG LYS 93 -14.404 3.392 7.389 594 HG3 LYS 93 2HG LYS 93 -12.722 3.712 7.800 595 HD2 LYS 93 1HD LYS 93 -13.770 4.912 9.440 596 HD3 LYS 93 2HD LYS 93 -13.628 6.152 8.197 597 HE2 LYS 93 1HE LYS 93 -16.073 4.429 8.511 598 HE3 LYS 93 2HE LYS 93 -15.871 5.957 9.361 599 HZ1 LYS 93 1HZ LYS 93 -15.911 5.584 6.419 600 HZ2 LYS 93 2HZ LYS 93 -15.647 7.053 7.207 601 HZ3 LYS 93 3HZ LYS 93 -17.133 6.270 7.359 602 H LYS 94 H LYS 94 -14.451 3.636 3.214 603 HA LYS 94 HA LYS 94 -16.020 1.448 4.149 604 HB2 LYS 94 1HB LYS 94 -15.902 2.805 1.451 605 HB3 LYS 94 2HB LYS 94 -17.081 1.575 1.879 606 HG2 LYS 94 1HG LYS 94 -16.768 4.188 3.336 607 HG3 LYS 94 2HG LYS 94 -17.917 3.912 2.027 608 HD2 LYS 94 1HD LYS 94 -18.948 2.104 3.350 609 HD3 LYS 94 2HD LYS 94 -17.827 2.452 4.667 610 HE2 LYS 94 1HE LYS 94 -18.744 4.683 4.898 611 HE3 LYS 94 2HE LYS 94 -19.804 4.418 3.516 612 HZ1 LYS 94 1HZ LYS 94 -20.950 2.706 4.744 613 HZ2 LYS 94 2HZ LYS 94 -20.954 4.142 5.639 614 HZ3 LYS 94 3HZ LYS 94 -19.903 2.887 6.058 615 H ALA 95 H ALA 95 -13.604 1.801 1.578 616 HA ALA 95 HA ALA 95 -13.875 -0.889 0.669 617 HB1 ALA 95 1HB ALA 95 -11.687 1.106 0.111 618 HB2 ALA 95 2HB ALA 95 -13.176 0.925 -0.816 619 HB3 ALA 95 3HB ALA 95 -11.992 -0.382 -0.783 620 H ALA 96 H ALA 96 -11.577 0.788 2.775 621 HA ALA 96 HA ALA 96 -9.619 -1.175 2.966 622 HB1 ALA 96 1HB ALA 96 -8.978 -0.145 5.073 623 HB2 ALA 96 2HB ALA 96 -10.525 0.697 5.149 624 HB3 ALA 96 3HB ALA 96 -9.369 1.089 3.877 625 H GLU 97 H GLU 97 -12.430 -0.679 5.091 626 HA GLU 97 HA GLU 97 -11.901 -2.830 6.805 627 HB2 GLU 97 1HB GLU 97 -13.445 -0.950 7.295 628 HB3 GLU 97 2HB GLU 97 -14.585 -1.618 6.137 629 HG2 GLU 97 1HG GLU 97 -14.868 -3.590 7.486 630 HG3 GLU 97 2HG GLU 97 -13.621 -3.041 8.606 631 H GLU 98 H GLU 98 -13.495 -2.682 3.708 632 HA GLU 98 HA GLU 98 -14.679 -5.274 3.838 633 HB2 GLU 98 1HB GLU 98 -15.507 -3.550 2.306 634 HB3 GLU 98 2HB GLU 98 -13.969 -3.551 1.457 635 HG2 GLU 98 1HG GLU 98 -14.342 -5.824 0.719 636 HG3 GLU 98 2HG GLU 98 -15.845 -5.896 1.635 637 H ALA 99 H ALA 99 -11.695 -3.965 2.469 638 HA ALA 99 HA ALA 99 -10.873 -6.450 1.329 639 HB1 ALA 99 1HB ALA 99 -8.818 -5.299 0.774 640 HB2 ALA 99 2HB ALA 99 -9.245 -3.970 1.853 641 HB3 ALA 99 3HB ALA 99 -10.207 -4.275 0.407 642 H ARG 100 H ARG 100 -10.556 -5.036 4.469 643 HA ARG 100 HA ARG 100 -8.181 -6.221 5.348 644 HB2 ARG 100 1HB ARG 100 -10.658 -5.476 6.901 645 HB3 ARG 100 2HB ARG 100 -9.166 -6.020 7.657 646 HG2 ARG 100 1HG ARG 100 -8.002 -4.112 6.543 647 HG3 ARG 100 2HG ARG 100 -9.582 -3.534 6.014 648 HD2 ARG 100 1HD ARG 100 -8.992 -2.350 8.002 649 HD3 ARG 100 2HD ARG 100 -10.281 -3.481 8.408 650 HE ARG 100 HE ARG 100 -7.998 -4.853 8.974 651 HH11 ARG 100 1HH1 ARG 100 -9.284 -1.754 9.964 652 HH12 ARG 100 2HH1 ARG 100 -8.484 -1.773 11.503 653 HH21 ARG 100 1HH2 ARG 100 -6.946 -4.882 10.986 654 HH22 ARG 100 2HH2 ARG 100 -7.150 -3.554 12.085 655 H LYS 101 H LYS 101 -11.172 -7.680 4.610 656 HA LYS 101 HA LYS 101 -11.052 -9.938 6.303 657 HB2 LYS 101 1HB LYS 101 -12.484 -9.295 3.763 658 HB3 LYS 101 2HB LYS 101 -12.429 -10.967 4.300 659 HG2 LYS 101 1HG LYS 101 -14.460 -9.953 5.065 660 HG3 LYS 101 2HG LYS 101 -13.419 -10.274 6.451 661 HD2 LYS 101 1HD LYS 101 -12.685 -7.901 6.370 662 HD3 LYS 101 2HD LYS 101 -13.866 -7.622 5.088 663 HE2 LYS 101 1HE LYS 101 -15.654 -8.352 6.617 664 HE3 LYS 101 2HE LYS 101 -14.458 -8.549 7.897 665 HZ1 LYS 101 1HZ LYS 101 -15.537 -6.445 8.134 666 HZ2 LYS 101 2HZ LYS 101 -15.196 -6.022 6.534 667 HZ3 LYS 101 3HZ LYS 101 -13.938 -6.169 7.656 668 H TRP 102 H TRP 102 -9.196 -9.060 3.560 669 HA TRP 102 HA TRP 102 -8.157 -11.816 3.429 670 HB2 TRP 102 1HB TRP 102 -9.337 -10.528 1.356 671 HB3 TRP 102 2HB TRP 102 -7.657 -10.040 1.116 672 HD1 TRP 102 HD1 TRP 102 -5.865 -12.065 0.692 673 HE1 TRP 102 HE1 TRP 102 -6.203 -14.387 -0.363 674 HE3 TRP 102 HE3 TRP 102 -10.951 -12.410 1.100 675 HZ2 TRP 102 HZ2 TRP 102 -8.341 -16.134 -0.940 676 HZ3 TRP 102 HZ3 TRP 102 -12.065 -14.442 0.274 677 HH2 TRP 102 HH2 TRP 102 -10.785 -16.266 -0.726 678 H ASN 103 H ASN 103 -7.430 -9.557 5.152 679 HA ASN 103 HA ASN 103 -5.569 -8.721 6.131 680 HB2 ASN 103 1HB ASN 103 -4.662 -11.026 5.683 681 HB3 ASN 103 2HB ASN 103 -3.952 -10.394 4.201 682 HD21 ASN 103 1HD2 ASN 103 -1.853 -10.721 4.789 683 HD22 ASN 103 2HD2 ASN 103 -1.075 -9.843 6.062 684 H VAL 104 H VAL 104 -6.653 -6.979 4.564 685 HA VAL 104 HA VAL 104 -4.386 -5.722 3.162 686 HB VAL 104 HB VAL 104 -7.319 -5.233 2.604 687 HG11 VAL 104 1HG1 VAL 104 -5.932 -3.294 2.160 688 HG12 VAL 104 2HG1 VAL 104 -6.489 -4.004 0.644 689 HG13 VAL 104 3HG1 VAL 104 -4.834 -4.276 1.188 690 HG21 VAL 104 1HG2 VAL 104 -6.712 -7.464 1.862 691 HG22 VAL 104 2HG2 VAL 104 -5.316 -6.820 1.001 692 HG23 VAL 104 3HG2 VAL 104 -6.945 -6.400 0.475 693 H ARG 105 H ARG 105 -3.586 -4.127 4.373 694 HA ARG 105 HA ARG 105 -5.448 -2.613 6.086 695 HB2 ARG 105 1HB ARG 105 -3.572 -2.209 7.608 696 HB3 ARG 105 2HB ARG 105 -3.853 -3.930 7.392 697 HG2 ARG 105 1HG ARG 105 -1.990 -3.968 5.748 698 HG3 ARG 105 2HG ARG 105 -1.669 -2.280 6.144 699 HD2 ARG 105 1HD ARG 105 -1.548 -4.634 8.023 700 HD3 ARG 105 2HD ARG 105 -0.181 -3.711 7.400 701 HE ARG 105 HE ARG 105 -1.800 -1.882 8.679 702 HH11 ARG 105 1HH1 ARG 105 -0.010 -4.761 9.547 703 HH12 ARG 105 2HH1 ARG 105 0.204 -4.280 11.201 704 HH21 ARG 105 1HH2 ARG 105 -1.522 -1.250 10.850 705 HH22 ARG 105 2HH2 ARG 105 -0.668 -2.292 11.947 706 H VAL 106 H VAL 106 -5.008 -0.328 6.367 707 HA VAL 106 HA VAL 106 -3.596 0.795 4.033 708 HB VAL 106 HB VAL 106 -6.033 1.946 5.411 709 HG11 VAL 106 1HG1 VAL 106 -6.059 3.551 3.559 710 HG12 VAL 106 2HG1 VAL 106 -4.553 2.864 2.950 711 HG13 VAL 106 3HG1 VAL 106 -4.581 3.679 4.514 712 HG21 VAL 106 1HG2 VAL 106 -7.214 1.401 3.328 713 HG22 VAL 106 2HG2 VAL 106 -6.602 -0.042 4.136 714 HG23 VAL 106 3HG2 VAL 106 -5.764 0.601 2.725 715 H ARG 107 H ARG 107 -1.949 2.092 4.457 716 HA ARG 107 HA ARG 107 -1.852 3.438 7.082 717 HB2 ARG 107 1HB ARG 107 0.367 2.200 5.465 718 HB3 ARG 107 2HB ARG 107 0.685 3.405 6.703 719 HG2 ARG 107 1HG ARG 107 -0.425 1.941 8.352 720 HG3 ARG 107 2HG ARG 107 -0.601 0.716 7.096 721 HD2 ARG 107 1HD ARG 107 1.742 0.446 6.906 722 HD3 ARG 107 2HD ARG 107 2.058 1.894 7.860 723 HE ARG 107 HE ARG 107 0.835 0.491 9.685 724 HH11 ARG 107 1HH1 ARG 107 3.105 -0.703 7.304 725 HH12 ARG 107 2HH1 ARG 107 3.697 -1.976 8.322 726 HH21 ARG 107 1HH2 ARG 107 1.622 -1.166 11.027 727 HH22 ARG 107 2HH2 ARG 107 2.853 -2.243 10.440 728 H THR 108 H THR 108 -0.754 5.498 7.112 729 HA THR 108 HA THR 108 -1.050 6.926 4.567 730 HB THR 108 HB THR 108 -0.894 8.964 6.178 731 HG1 THR 108 HG1 THR 108 -0.356 7.873 8.073 732 HG21 THR 108 1HG2 THR 108 -2.894 8.460 4.949 733 HG22 THR 108 2HG2 THR 108 -3.341 8.814 6.617 734 HG23 THR 108 3HG2 THR 108 -3.295 7.144 6.052 735 H VAL 109 H VAL 109 0.600 8.070 3.685 736 HA VAL 109 HA VAL 109 3.198 7.923 5.071 737 HB VAL 109 HB VAL 109 4.303 7.884 2.890 738 HG11 VAL 109 1HG1 VAL 109 3.678 5.776 3.992 739 HG12 VAL 109 2HG1 VAL 109 3.714 5.633 2.235 740 HG13 VAL 109 3HG1 VAL 109 2.171 5.763 3.080 741 HG21 VAL 109 1HG2 VAL 109 2.669 9.114 1.571 742 HG22 VAL 109 2HG2 VAL 109 1.519 7.787 1.730 743 HG23 VAL 109 3HG2 VAL 109 3.017 7.554 0.828 744 H THR 110 H THR 110 4.294 9.760 5.404 745 HA THR 110 HA THR 110 3.205 12.218 4.200 746 HB THR 110 HB THR 110 2.855 12.044 6.650 747 HG1 THR 110 HG1 THR 110 3.578 14.094 5.345 748 HG21 THR 110 1HG2 THR 110 4.794 12.287 8.153 749 HG22 THR 110 2HG2 THR 110 5.872 12.094 6.770 750 HG23 THR 110 3HG2 THR 110 4.827 10.764 7.267 751 H SER 111 H SER 111 5.973 10.243 4.530 752 HA SER 111 HA SER 111 7.588 12.075 2.997 753 HB2 SER 111 1HB SER 111 9.440 12.077 4.672 754 HB3 SER 111 2HB SER 111 8.002 12.918 5.249 755 HG SER 111 HG SER 111 8.441 11.633 6.915 756 HA PRO 112 HA PRO 112 9.440 8.236 1.612 757 HB2 PRO 112 1HB PRO 112 12.031 9.074 1.230 758 HB3 PRO 112 2HB PRO 112 10.722 9.347 0.075 759 HG2 PRO 112 1HG PRO 112 11.865 11.203 2.120 760 HG3 PRO 112 2HG PRO 112 11.363 11.543 0.454 761 HD2 PRO 112 1HD PRO 112 9.823 12.194 2.561 762 HD3 PRO 112 2HD PRO 112 9.122 11.656 1.022 763 H ASP 113 H ASP 113 10.662 10.081 4.279 764 HA ASP 113 HA ASP 113 12.408 8.168 5.405 765 HB2 ASP 113 1HB ASP 113 10.755 10.367 6.668 766 HB3 ASP 113 2HB ASP 113 11.894 9.377 7.573 767 H GLU 114 H GLU 114 9.012 8.947 6.165 768 HA GLU 114 HA GLU 114 8.610 6.678 7.796 769 HB2 GLU 114 1HB GLU 114 6.699 8.495 6.342 770 HB3 GLU 114 2HB GLU 114 6.146 7.144 7.323 771 HG2 GLU 114 1HG GLU 114 7.821 9.445 8.301 772 HG3 GLU 114 2HG GLU 114 6.084 9.258 8.540 773 H ALA 115 H ALA 115 8.265 7.228 4.342 774 HA ALA 115 HA ALA 115 6.871 4.963 3.589 775 HB1 ALA 115 1HB ALA 115 7.504 6.775 2.052 776 HB2 ALA 115 2HB ALA 115 7.917 5.182 1.415 777 HB3 ALA 115 3HB ALA 115 9.175 6.211 2.099 778 H LYS 116 H LYS 116 10.407 5.272 4.040 779 HA LYS 116 HA LYS 116 10.832 2.510 3.406 780 HB2 LYS 116 1HB LYS 116 13.147 2.884 3.933 781 HB3 LYS 116 2HB LYS 116 12.551 4.261 3.019 782 HG2 LYS 116 1HG LYS 116 12.420 5.597 5.010 783 HG3 LYS 116 2HG LYS 116 12.846 4.209 6.013 784 HD2 LYS 116 1HD LYS 116 14.784 5.639 5.689 785 HD3 LYS 116 2HD LYS 116 15.031 4.087 4.891 786 HE2 LYS 116 1HE LYS 116 15.795 5.897 3.467 787 HE3 LYS 116 2HE LYS 116 14.399 5.101 2.745 788 HZ1 LYS 116 1HZ LYS 116 14.122 7.440 2.527 789 HZ2 LYS 116 2HZ LYS 116 14.436 7.700 4.172 790 HZ3 LYS 116 3HZ LYS 116 13.017 6.909 3.696 791 H ARG 117 H ARG 117 9.767 4.120 6.160 792 HA ARG 117 HA ARG 117 10.870 2.537 8.215 793 HB2 ARG 117 1HB ARG 117 9.842 4.616 8.795 794 HB3 ARG 117 2HB ARG 117 8.320 4.139 8.059 795 HG2 ARG 117 1HG ARG 117 8.275 2.266 9.799 796 HG3 ARG 117 2HG ARG 117 9.543 3.180 10.621 797 HD2 ARG 117 1HD ARG 117 8.077 5.130 10.688 798 HD3 ARG 117 2HD ARG 117 6.814 4.218 9.875 799 HE ARG 117 HE ARG 117 7.387 2.724 12.071 800 HH11 ARG 117 1HH1 ARG 117 6.465 6.073 11.565 801 HH12 ARG 117 2HH1 ARG 117 5.642 6.199 13.091 802 HH21 ARG 117 1HH2 ARG 117 6.302 2.892 14.067 803 HH22 ARG 117 2HH2 ARG 117 5.560 4.393 14.518 804 H TRP 118 H TRP 118 7.553 2.421 6.856 805 HA TRP 118 HA TRP 118 6.994 0.013 8.221 806 HB2 TRP 118 1HB TRP 118 4.973 -0.047 6.585 807 HB3 TRP 118 2HB TRP 118 5.064 1.223 7.796 808 HD1 TRP 118 HD1 TRP 118 5.341 3.690 6.967 809 HE1 TRP 118 HE1 TRP 118 5.193 4.799 4.661 810 HE3 TRP 118 HE3 TRP 118 5.425 -0.499 4.049 811 HZ2 TRP 118 HZ2 TRP 118 5.110 4.011 1.951 812 HZ3 TRP 118 HZ3 TRP 118 5.301 -0.236 1.608 813 HH2 TRP 118 HH2 TRP 118 5.144 1.975 0.581 814 H ILE 119 H ILE 119 8.340 0.703 5.080 815 HA ILE 119 HA ILE 119 7.994 -1.805 3.861 816 HB ILE 119 HB ILE 119 10.263 0.176 3.577 817 HG12 ILE 119 1HG1 ILE 119 7.860 -0.390 1.832 818 HG13 ILE 119 2HG1 ILE 119 8.047 1.001 2.895 819 HG21 ILE 119 1HG2 ILE 119 9.620 -2.224 1.864 820 HG22 ILE 119 2HG2 ILE 119 11.033 -2.029 2.901 821 HG23 ILE 119 3HG2 ILE 119 10.824 -0.991 1.491 822 HD11 ILE 119 1HD1 ILE 119 8.490 1.590 0.589 823 HD12 ILE 119 2HD1 ILE 119 9.751 0.362 0.502 824 HD13 ILE 119 3HD1 ILE 119 9.948 1.754 1.565 825 H LYS 120 H LYS 120 10.638 -0.568 5.873 826 HA LYS 120 HA LYS 120 12.210 -2.907 5.806 827 HB2 LYS 120 1HB LYS 120 12.950 -0.581 6.451 828 HB3 LYS 120 2HB LYS 120 12.143 -0.823 7.993 829 HG2 LYS 120 1HG LYS 120 13.627 -2.651 8.526 830 HG3 LYS 120 2HG LYS 120 14.392 -2.524 6.940 831 HD2 LYS 120 1HD LYS 120 15.141 -0.256 7.490 832 HD3 LYS 120 2HD LYS 120 14.388 -0.396 9.078 833 HE2 LYS 120 1HE LYS 120 15.862 -2.322 9.561 834 HE3 LYS 120 2HE LYS 120 16.652 -2.071 8.005 835 HZ1 LYS 120 1HZ LYS 120 16.597 -0.172 10.286 836 HZ2 LYS 120 2HZ LYS 120 17.260 0.171 8.771 837 HZ3 LYS 120 3HZ LYS 120 17.934 -1.045 9.730 838 H GLU 121 H GLU 121 9.625 -1.818 7.904 839 HA GLU 121 HA GLU 121 9.778 -3.926 9.807 840 HB2 GLU 121 1HB GLU 121 7.563 -2.051 8.977 841 HB3 GLU 121 2HB GLU 121 7.354 -3.259 10.236 842 HG2 GLU 121 1HG GLU 121 9.513 -1.176 10.330 843 HG3 GLU 121 2HG GLU 121 7.899 -0.920 10.996 844 H PHE 122 H PHE 122 7.815 -3.380 6.927 845 HA PHE 122 HA PHE 122 6.187 -5.648 7.061 846 HB2 PHE 122 1HB PHE 122 6.135 -3.488 5.559 847 HB3 PHE 122 2HB PHE 122 7.055 -4.483 4.440 848 HD1 PHE 122 HD1 PHE 122 5.998 -6.128 3.120 849 HD2 PHE 122 HD2 PHE 122 3.864 -4.197 6.251 850 HE1 PHE 122 HE1 PHE 122 3.894 -7.080 2.271 851 HE2 PHE 122 HE2 PHE 122 1.758 -5.148 5.411 852 HZ PHE 122 HZ PHE 122 1.773 -6.590 3.417 853 H SER 123 H SER 123 9.444 -5.229 5.964 854 HA SER 123 HA SER 123 9.613 -7.600 4.398 855 HB2 SER 123 1HB SER 123 11.111 -5.656 4.084 856 HB3 SER 123 2HB SER 123 11.818 -5.956 5.669 857 HG SER 123 HG SER 123 11.781 -8.034 3.782 858 H GLU 124 H GLU 124 9.550 -7.047 7.747 859 HA GLU 124 HA GLU 124 10.996 -9.543 8.304 860 HB2 GLU 124 1HB GLU 124 10.160 -7.379 10.236 861 HB3 GLU 124 2HB GLU 124 11.173 -8.770 10.599 862 HG2 GLU 124 1HG GLU 124 12.855 -7.927 9.019 863 HG3 GLU 124 2HG GLU 124 11.850 -6.507 8.741 864 H GLU 125 H GLU 125 7.942 -7.863 8.934 865 HA GLU 125 HA GLU 125 6.890 -10.282 10.184 866 HB2 GLU 125 1HB GLU 125 4.850 -8.793 10.575 867 HB3 GLU 125 2HB GLU 125 6.319 -8.385 11.448 868 HG2 GLU 125 1HG GLU 125 6.786 -6.580 9.955 869 HG3 GLU 125 2HG GLU 125 5.465 -7.058 8.891 Start of MODEL 6 1 HA MET 21 HA MET 21 3.151 -15.191 2.688 2 HB2 MET 21 1HB MET 21 2.888 -14.564 5.027 3 HB3 MET 21 2HB MET 21 4.011 -13.229 4.824 4 HG2 MET 21 1HG MET 21 2.471 -12.097 3.358 5 HG3 MET 21 2HG MET 21 1.367 -13.470 3.406 6 HE1 MET 21 1HE MET 21 2.290 -10.840 7.090 7 HE2 MET 21 2HE MET 21 3.056 -10.614 5.518 8 HE3 MET 21 3HE MET 21 3.405 -12.057 6.469 9 H ARG 22 H ARG 22 3.020 -14.278 0.765 10 HA ARG 22 HA ARG 22 5.033 -12.617 -0.325 11 HB2 ARG 22 1HB ARG 22 2.177 -12.910 -1.280 12 HB3 ARG 22 2HB ARG 22 3.539 -12.329 -2.223 13 HG2 ARG 22 1HG ARG 22 4.584 -14.550 -2.036 14 HG3 ARG 22 2HG ARG 22 3.162 -15.121 -1.161 15 HD2 ARG 22 1HD ARG 22 1.779 -14.479 -3.130 16 HD3 ARG 22 2HD ARG 22 3.267 -14.098 -3.994 17 HE ARG 22 HE ARG 22 3.050 -16.787 -2.899 18 HH11 ARG 22 1HH1 ARG 22 2.800 -14.701 -5.702 19 HH12 ARG 22 2HH1 ARG 22 2.803 -16.012 -6.834 20 HH21 ARG 22 1HH2 ARG 22 3.074 -18.510 -4.391 21 HH22 ARG 22 2HH2 ARG 22 2.983 -18.176 -6.094 22 H LEU 23 H LEU 23 5.150 -10.407 -0.555 23 HA LEU 23 HA LEU 23 3.089 -8.874 0.878 24 HB2 LEU 23 1HB LEU 23 6.056 -8.408 0.707 25 HB3 LEU 23 2HB LEU 23 4.931 -7.208 1.311 26 HG LEU 23 HG LEU 23 5.461 -9.922 2.530 27 HD11 LEU 23 1HD1 LEU 23 6.177 -7.132 3.417 28 HD12 LEU 23 2HD1 LEU 23 7.290 -8.399 2.902 29 HD13 LEU 23 3HD1 LEU 23 6.372 -8.586 4.395 30 HD21 LEU 23 1HD2 LEU 23 4.033 -9.101 4.374 31 HD22 LEU 23 2HD2 LEU 23 3.150 -9.323 2.864 32 HD23 LEU 23 3HD2 LEU 23 3.608 -7.701 3.388 33 H VAL 24 H VAL 24 1.909 -7.731 -0.431 34 HA VAL 24 HA VAL 24 3.114 -6.639 -2.885 35 HB VAL 24 HB VAL 24 0.189 -7.076 -2.239 36 HG11 VAL 24 1HG1 VAL 24 0.535 -5.167 -3.719 37 HG12 VAL 24 2HG1 VAL 24 -0.206 -6.509 -4.588 38 HG13 VAL 24 3HG1 VAL 24 1.510 -6.165 -4.796 39 HG21 VAL 24 1HG2 VAL 24 0.277 -8.849 -3.917 40 HG22 VAL 24 2HG2 VAL 24 1.388 -9.176 -2.588 41 HG23 VAL 24 3HG2 VAL 24 2.006 -8.574 -4.126 42 H VAL 25 H VAL 25 3.124 -4.451 -3.187 43 HA VAL 25 HA VAL 25 1.974 -2.833 -1.012 44 HB VAL 25 HB VAL 25 4.618 -2.245 -2.347 45 HG11 VAL 25 1HG1 VAL 25 3.488 -0.337 -1.349 46 HG12 VAL 25 2HG1 VAL 25 4.943 -0.755 -0.442 47 HG13 VAL 25 3HG1 VAL 25 3.354 -1.205 0.183 48 HG21 VAL 25 1HG2 VAL 25 4.147 -3.637 0.288 49 HG22 VAL 25 2HG2 VAL 25 5.709 -3.085 -0.315 50 HG23 VAL 25 3HG2 VAL 25 4.837 -4.360 -1.165 51 H LEU 26 H LEU 26 0.396 -1.676 -1.916 52 HA LEU 26 HA LEU 26 0.856 -0.474 -4.562 53 HB2 LEU 26 1HB LEU 26 -1.680 -1.143 -3.080 54 HB3 LEU 26 2HB LEU 26 -1.672 -0.030 -4.441 55 HG LEU 26 HG LEU 26 -0.338 -2.548 -5.061 56 HD11 LEU 26 1HD1 LEU 26 -3.268 -2.596 -4.349 57 HD12 LEU 26 2HD1 LEU 26 -1.978 -3.463 -3.514 58 HD13 LEU 26 3HD1 LEU 26 -2.387 -3.880 -5.178 59 HD21 LEU 26 1HD2 LEU 26 -1.754 -2.380 -7.029 60 HD22 LEU 26 2HD2 LEU 26 -0.973 -0.835 -6.690 61 HD23 LEU 26 3HD2 LEU 26 -2.671 -1.076 -6.276 62 H ILE 27 H ILE 27 1.164 1.640 -4.696 63 HA ILE 27 HA ILE 27 0.711 3.208 -2.240 64 HB ILE 27 HB ILE 27 3.076 2.833 -2.527 65 HG12 ILE 27 1HG1 ILE 27 2.387 5.660 -3.363 66 HG13 ILE 27 2HG1 ILE 27 2.365 5.057 -1.711 67 HG21 ILE 27 1HG2 ILE 27 4.297 3.574 -4.509 68 HG22 ILE 27 2HG2 ILE 27 2.776 4.025 -5.276 69 HG23 ILE 27 3HG2 ILE 27 3.106 2.334 -4.904 70 HD11 ILE 27 1HD1 ILE 27 4.767 4.646 -1.832 71 HD12 ILE 27 2HD1 ILE 27 4.377 6.334 -2.159 72 HD13 ILE 27 3HD1 ILE 27 4.785 5.250 -3.489 73 H VAL 28 H VAL 28 -0.210 5.174 -2.390 74 HA VAL 28 HA VAL 28 -1.324 5.976 -4.960 75 HB VAL 28 HB VAL 28 -1.683 7.297 -2.257 76 HG11 VAL 28 1HG1 VAL 28 -3.735 8.211 -3.245 77 HG12 VAL 28 2HG1 VAL 28 -3.327 7.449 -4.783 78 HG13 VAL 28 3HG1 VAL 28 -2.297 8.723 -4.128 79 HG21 VAL 28 1HG2 VAL 28 -2.391 4.955 -2.159 80 HG22 VAL 28 2HG2 VAL 28 -3.428 5.211 -3.563 81 HG23 VAL 28 3HG2 VAL 28 -3.767 6.054 -2.050 82 H SER 29 H SER 29 -1.050 8.191 -5.738 83 HA SER 29 HA SER 29 1.668 8.723 -6.042 84 HB2 SER 29 1HB SER 29 0.806 10.850 -7.174 85 HB3 SER 29 2HB SER 29 0.259 9.306 -7.825 86 HG SER 29 HG SER 29 -1.160 11.053 -6.092 87 H ASN 30 H ASN 30 2.984 9.506 -4.661 88 HA ASN 30 HA ASN 30 2.341 11.990 -3.242 89 HB2 ASN 30 1HB ASN 30 2.370 9.907 -1.722 90 HB3 ASN 30 2HB ASN 30 4.098 9.833 -2.047 91 HD21 ASN 30 1HD2 ASN 30 1.532 11.679 -0.563 92 HD22 ASN 30 2HD2 ASN 30 2.554 12.644 0.456 93 H ASP 31 H ASP 31 4.897 12.537 -2.281 94 HA ASP 31 HA ASP 31 6.219 13.749 -4.317 95 HB2 ASP 31 1HB ASP 31 6.812 13.957 -1.910 96 HB3 ASP 31 2HB ASP 31 7.593 12.382 -1.990 97 H LYS 32 H LYS 32 7.505 13.232 -5.957 98 HA LYS 32 HA LYS 32 7.274 10.684 -7.048 99 HB2 LYS 32 1HB LYS 32 8.823 11.495 -8.800 100 HB3 LYS 32 2HB LYS 32 7.509 12.610 -8.460 101 HG2 LYS 32 1HG LYS 32 9.041 13.955 -7.078 102 HG3 LYS 32 2HG LYS 32 10.351 12.852 -7.498 103 HD2 LYS 32 1HD LYS 32 10.635 14.599 -9.004 104 HD3 LYS 32 2HD LYS 32 9.741 13.406 -9.943 105 HE2 LYS 32 1HE LYS 32 8.500 15.760 -8.522 106 HE3 LYS 32 2HE LYS 32 8.918 15.731 -10.229 107 HZ1 LYS 32 1HZ LYS 32 6.867 14.103 -8.847 108 HZ2 LYS 32 2HZ LYS 32 7.383 13.786 -10.423 109 HZ3 LYS 32 3HZ LYS 32 6.631 15.254 -10.061 110 H LYS 33 H LYS 33 9.826 12.014 -5.054 111 HA LYS 33 HA LYS 33 11.723 9.967 -5.736 112 HB2 LYS 33 1HB LYS 33 12.374 12.215 -4.835 113 HB3 LYS 33 2HB LYS 33 11.704 11.733 -3.283 114 HG2 LYS 33 1HG LYS 33 13.316 9.857 -3.217 115 HG3 LYS 33 2HG LYS 33 14.025 10.457 -4.717 116 HD2 LYS 33 1HD LYS 33 14.439 12.632 -3.545 117 HD3 LYS 33 2HD LYS 33 13.928 11.850 -2.048 118 HE2 LYS 33 1HE LYS 33 16.238 11.013 -3.794 119 HE3 LYS 33 2HE LYS 33 16.357 11.861 -2.257 120 HZ1 LYS 33 1HZ LYS 33 15.303 9.927 -1.200 121 HZ2 LYS 33 2HZ LYS 33 16.775 9.542 -1.930 122 HZ3 LYS 33 3HZ LYS 33 15.324 9.106 -2.680 123 H LEU 34 H LEU 34 9.216 10.436 -3.359 124 HA LEU 34 HA LEU 34 9.929 8.350 -1.596 125 HB2 LEU 34 1HB LEU 34 8.354 10.069 -0.933 126 HB3 LEU 34 2HB LEU 34 7.238 9.574 -2.192 127 HG LEU 34 HG LEU 34 6.931 7.408 -1.068 128 HD11 LEU 34 1HD1 LEU 34 8.792 8.593 0.972 129 HD12 LEU 34 2HD1 LEU 34 9.031 7.127 0.021 130 HD13 LEU 34 3HD1 LEU 34 7.777 7.185 1.259 131 HD21 LEU 34 1HD2 LEU 34 5.675 8.237 0.858 132 HD22 LEU 34 2HD2 LEU 34 5.397 9.215 -0.579 133 HD23 LEU 34 3HD2 LEU 34 6.462 9.805 0.694 134 H ILE 35 H ILE 35 7.826 8.464 -4.439 135 HA ILE 35 HA ILE 35 6.910 5.814 -4.353 136 HB ILE 35 HB ILE 35 7.442 7.525 -6.792 137 HG12 ILE 35 1HG1 ILE 35 4.913 7.109 -5.177 138 HG13 ILE 35 2HG1 ILE 35 5.898 8.567 -5.180 139 HG21 ILE 35 1HG2 ILE 35 5.814 6.075 -7.919 140 HG22 ILE 35 2HG2 ILE 35 5.721 5.066 -6.475 141 HG23 ILE 35 3HG2 ILE 35 7.230 5.174 -7.380 142 HD11 ILE 35 1HD1 ILE 35 5.382 8.911 -7.538 143 HD12 ILE 35 2HD1 ILE 35 3.922 8.839 -6.553 144 HD13 ILE 35 3HD1 ILE 35 4.393 7.451 -7.532 145 H GLU 36 H GLU 36 9.825 7.249 -5.723 146 HA GLU 36 HA GLU 36 10.890 4.860 -6.810 147 HB2 GLU 36 1HB GLU 36 12.307 7.351 -5.849 148 HB3 GLU 36 2HB GLU 36 13.038 6.079 -6.816 149 HG2 GLU 36 1HG GLU 36 11.449 6.555 -8.625 150 HG3 GLU 36 2HG GLU 36 10.764 7.860 -7.656 151 H GLU 37 H GLU 37 11.376 6.519 -3.700 152 HA GLU 37 HA GLU 37 13.248 4.769 -2.602 153 HB2 GLU 37 1HB GLU 37 11.099 6.394 -1.239 154 HB3 GLU 37 2HB GLU 37 12.377 5.550 -0.379 155 HG2 GLU 37 1HG GLU 37 12.749 7.766 -2.378 156 HG3 GLU 37 2HG GLU 37 12.880 7.909 -0.626 157 H ALA 38 H ALA 38 9.704 4.665 -2.480 158 HA ALA 38 HA ALA 38 9.419 2.405 -0.863 159 HB1 ALA 38 1HB ALA 38 7.565 3.889 -1.481 160 HB2 ALA 38 2HB ALA 38 7.189 2.198 -1.816 161 HB3 ALA 38 3HB ALA 38 7.637 3.280 -3.135 162 H ARG 39 H ARG 39 9.788 2.671 -4.377 163 HA ARG 39 HA ARG 39 9.553 -0.114 -4.878 164 HB2 ARG 39 1HB ARG 39 9.126 1.549 -6.611 165 HB3 ARG 39 2HB ARG 39 10.799 2.080 -6.541 166 HG2 ARG 39 1HG ARG 39 11.577 0.051 -7.486 167 HG3 ARG 39 2HG ARG 39 9.998 -0.719 -7.295 168 HD2 ARG 39 1HD ARG 39 10.501 0.016 -9.624 169 HD3 ARG 39 2HD ARG 39 9.029 0.707 -8.949 170 HE ARG 39 HE ARG 39 11.581 2.185 -9.065 171 HH11 ARG 39 1HH1 ARG 39 8.108 2.007 -9.527 172 HH12 ARG 39 2HH1 ARG 39 7.955 3.680 -9.964 173 HH21 ARG 39 1HH2 ARG 39 11.375 4.392 -9.647 174 HH22 ARG 39 2HH2 ARG 39 9.810 5.032 -10.044 175 H LYS 40 H LYS 40 12.268 2.018 -4.198 176 HA LYS 40 HA LYS 40 14.370 0.231 -4.707 177 HB2 LYS 40 1HB LYS 40 14.151 2.405 -2.619 178 HB3 LYS 40 2HB LYS 40 15.641 1.575 -3.029 179 HG2 LYS 40 1HG LYS 40 14.006 3.278 -4.900 180 HG3 LYS 40 2HG LYS 40 15.493 3.766 -4.083 181 HD2 LYS 40 1HD LYS 40 16.650 1.873 -5.234 182 HD3 LYS 40 2HD LYS 40 15.172 1.605 -6.157 183 HE2 LYS 40 1HE LYS 40 16.868 4.097 -6.138 184 HE3 LYS 40 2HE LYS 40 16.711 2.936 -7.455 185 HZ1 LYS 40 1HZ LYS 40 15.360 4.850 -7.891 186 HZ2 LYS 40 2HZ LYS 40 14.574 4.703 -6.404 187 HZ3 LYS 40 3HZ LYS 40 14.349 3.529 -7.600 188 H MET 41 H MET 41 12.388 0.747 -1.830 189 HA MET 41 HA MET 41 13.700 -1.208 -0.227 190 HB2 MET 41 1HB MET 41 10.926 -0.023 -0.003 191 HB3 MET 41 2HB MET 41 11.689 -1.023 1.224 192 HG2 MET 41 1HG MET 41 12.683 1.653 0.270 193 HG3 MET 41 2HG MET 41 11.803 1.352 1.768 194 HE1 MET 41 1HE MET 41 13.139 -1.462 2.680 195 HE2 MET 41 2HE MET 41 12.737 -0.119 3.747 196 HE3 MET 41 3HE MET 41 14.353 -0.824 3.790 197 H ALA 42 H ALA 42 10.888 -1.201 -2.330 198 HA ALA 42 HA ALA 42 9.903 -3.749 -1.712 199 HB1 ALA 42 1HB ALA 42 8.613 -2.066 -2.926 200 HB2 ALA 42 2HB ALA 42 8.669 -3.596 -3.800 201 HB3 ALA 42 3HB ALA 42 9.684 -2.249 -4.313 202 H GLU 43 H GLU 43 11.996 -2.737 -4.428 203 HA GLU 43 HA GLU 43 12.315 -5.335 -5.465 204 HB2 GLU 43 1HB GLU 43 13.941 -2.820 -5.753 205 HB3 GLU 43 2HB GLU 43 14.403 -4.319 -6.547 206 HG2 GLU 43 1HG GLU 43 11.815 -2.832 -6.928 207 HG3 GLU 43 2HG GLU 43 13.170 -2.882 -8.057 208 H LYS 44 H LYS 44 13.858 -3.689 -2.850 209 HA LYS 44 HA LYS 44 16.146 -5.415 -2.722 210 HB2 LYS 44 1HB LYS 44 16.143 -3.071 -1.894 211 HB3 LYS 44 2HB LYS 44 15.030 -3.547 -0.624 212 HG2 LYS 44 1HG LYS 44 16.684 -4.995 0.355 213 HG3 LYS 44 2HG LYS 44 17.794 -4.683 -0.978 214 HD2 LYS 44 1HD LYS 44 16.743 -2.437 0.706 215 HD3 LYS 44 2HD LYS 44 18.113 -3.403 1.248 216 HE2 LYS 44 1HE LYS 44 18.904 -1.411 0.129 217 HE3 LYS 44 2HE LYS 44 19.313 -2.835 -0.821 218 HZ1 LYS 44 1HZ LYS 44 16.962 -1.110 -1.368 219 HZ2 LYS 44 2HZ LYS 44 17.573 -2.348 -2.346 220 HZ3 LYS 44 3HZ LYS 44 18.460 -0.931 -2.129 221 H ALA 45 H ALA 45 13.046 -5.182 -1.006 222 HA ALA 45 HA ALA 45 13.725 -7.580 0.534 223 HB1 ALA 45 1HB ALA 45 11.376 -5.710 0.810 224 HB2 ALA 45 2HB ALA 45 12.851 -5.670 1.776 225 HB3 ALA 45 3HB ALA 45 11.763 -7.054 1.883 226 H ASN 46 H ASN 46 12.754 -7.219 -2.396 227 HA ASN 46 HA ASN 46 11.596 -8.404 -3.923 228 HB2 ASN 46 1HB ASN 46 11.610 -10.454 -1.707 229 HB3 ASN 46 2HB ASN 46 11.025 -10.783 -3.335 230 HD21 ASN 46 1HD2 ASN 46 13.784 -10.316 -1.330 231 HD22 ASN 46 2HD2 ASN 46 14.975 -10.697 -2.523 232 H LEU 47 H LEU 47 10.104 -6.523 -2.692 233 HA LEU 47 HA LEU 47 7.491 -7.746 -2.141 234 HB2 LEU 47 1HB LEU 47 8.126 -4.807 -2.077 235 HB3 LEU 47 2HB LEU 47 6.812 -5.648 -1.284 236 HG LEU 47 HG LEU 47 9.725 -5.800 -0.513 237 HD11 LEU 47 1HD1 LEU 47 8.722 -3.662 0.028 238 HD12 LEU 47 2HD1 LEU 47 8.999 -4.606 1.492 239 HD13 LEU 47 3HD1 LEU 47 7.373 -4.477 0.820 240 HD21 LEU 47 1HD2 LEU 47 9.013 -7.108 1.374 241 HD22 LEU 47 2HD2 LEU 47 8.471 -7.900 -0.107 242 HD23 LEU 47 3HD2 LEU 47 7.328 -6.982 0.874 243 H GLU 48 H GLU 48 5.629 -7.054 -3.333 244 HA GLU 48 HA GLU 48 6.224 -6.371 -6.107 245 HB2 GLU 48 1HB GLU 48 4.681 -8.231 -5.590 246 HB3 GLU 48 2HB GLU 48 3.618 -7.115 -4.752 247 HG2 GLU 48 1HG GLU 48 2.653 -7.499 -6.857 248 HG3 GLU 48 2HG GLU 48 3.363 -5.888 -6.929 249 H LEU 49 H LEU 49 6.614 -4.182 -6.256 250 HA LEU 49 HA LEU 49 4.893 -2.333 -4.787 251 HB2 LEU 49 1HB LEU 49 7.482 -2.186 -4.993 252 HB3 LEU 49 2HB LEU 49 7.165 -1.536 -6.586 253 HG LEU 49 HG LEU 49 7.600 0.225 -4.925 254 HD11 LEU 49 1HD1 LEU 49 5.662 1.644 -5.372 255 HD12 LEU 49 2HD1 LEU 49 4.771 0.236 -5.947 256 HD13 LEU 49 3HD1 LEU 49 6.201 0.789 -6.818 257 HD21 LEU 49 1HD2 LEU 49 5.064 -0.698 -3.599 258 HD22 LEU 49 2HD2 LEU 49 6.054 0.686 -3.136 259 HD23 LEU 49 3HD2 LEU 49 6.692 -0.951 -2.972 260 H ILE 50 H ILE 50 3.095 -1.687 -5.717 261 HA ILE 50 HA ILE 50 3.118 -1.168 -8.619 262 HB ILE 50 HB ILE 50 0.789 -2.237 -7.013 263 HG12 ILE 50 1HG1 ILE 50 2.423 -3.589 -9.172 264 HG13 ILE 50 2HG1 ILE 50 2.572 -3.915 -7.448 265 HG21 ILE 50 1HG2 ILE 50 1.020 -1.711 -9.972 266 HG22 ILE 50 2HG2 ILE 50 0.146 -0.704 -8.817 267 HG23 ILE 50 3HG2 ILE 50 -0.390 -2.357 -9.128 268 HD11 ILE 50 1HD1 ILE 50 1.244 -5.614 -8.571 269 HD12 ILE 50 2HD1 ILE 50 0.113 -4.378 -9.119 270 HD13 ILE 50 3HD1 ILE 50 0.275 -4.723 -7.398 271 H THR 51 H THR 51 2.289 0.772 -9.246 272 HA THR 51 HA THR 51 1.261 2.518 -7.105 273 HB THR 51 HB THR 51 2.574 3.441 -9.663 274 HG1 THR 51 HG1 THR 51 3.694 2.385 -7.386 275 HG21 THR 51 1HG2 THR 51 2.026 4.803 -7.023 276 HG22 THR 51 2HG2 THR 51 1.229 5.129 -8.561 277 HG23 THR 51 3HG2 THR 51 2.936 5.511 -8.355 278 H VAL 52 H VAL 52 -0.935 2.472 -7.309 279 HA VAL 52 HA VAL 52 -2.019 3.090 -9.988 280 HB VAL 52 HB VAL 52 -3.306 1.433 -7.801 281 HG11 VAL 52 1HG1 VAL 52 -4.381 2.164 -10.519 282 HG12 VAL 52 2HG1 VAL 52 -4.972 2.760 -8.968 283 HG13 VAL 52 3HG1 VAL 52 -5.130 1.052 -9.373 284 HG21 VAL 52 1HG2 VAL 52 -1.585 0.209 -8.984 285 HG22 VAL 52 2HG2 VAL 52 -2.307 0.647 -10.531 286 HG23 VAL 52 3HG2 VAL 52 -3.178 -0.406 -9.417 287 HA PRO 53 HA PRO 53 -3.469 6.439 -7.237 288 HB2 PRO 53 1HB PRO 53 -2.341 8.511 -8.482 289 HB3 PRO 53 2HB PRO 53 -1.423 7.486 -7.375 290 HG2 PRO 53 1HG PRO 53 -1.348 7.611 -10.334 291 HG3 PRO 53 2HG PRO 53 -0.065 7.177 -9.193 292 HD2 PRO 53 1HD PRO 53 -1.738 5.415 -10.680 293 HD3 PRO 53 2HD PRO 53 -0.546 4.978 -9.442 294 H GLY 54 H GLY 54 -5.701 6.104 -8.063 295 HA2 GLY 54 1HA GLY 54 -6.138 8.492 -9.760 296 HA3 GLY 54 2HA GLY 54 -7.241 7.118 -9.810 297 H SER 55 H SER 55 -7.806 6.418 -7.468 298 HA SER 55 HA SER 55 -8.116 8.705 -5.657 299 HB2 SER 55 1HB SER 55 -9.815 6.192 -5.750 300 HB3 SER 55 2HB SER 55 -10.068 7.593 -4.715 301 HG SER 55 HG SER 55 -10.071 7.750 -7.545 302 HA PRO 56 HA PRO 56 -5.734 6.202 -2.704 303 HB2 PRO 56 1HB PRO 56 -7.450 6.162 -0.512 304 HB3 PRO 56 2HB PRO 56 -6.217 7.383 -0.829 305 HG2 PRO 56 1HG PRO 56 -9.150 7.477 -1.318 306 HG3 PRO 56 2HG PRO 56 -8.045 8.777 -0.839 307 HD2 PRO 56 1HD PRO 56 -8.994 8.540 -3.357 308 HD3 PRO 56 2HD PRO 56 -7.376 9.177 -3.011 309 H GLU 57 H GLU 57 -9.237 5.538 -2.945 310 HA GLU 57 HA GLU 57 -9.050 2.899 -1.898 311 HB2 GLU 57 1HB GLU 57 -11.252 3.671 -3.773 312 HB3 GLU 57 2HB GLU 57 -11.312 2.632 -2.360 313 HG2 GLU 57 1HG GLU 57 -12.383 4.435 -1.524 314 HG3 GLU 57 2HG GLU 57 -10.727 4.907 -1.135 315 H GLU 58 H GLU 58 -8.345 4.163 -5.020 316 HA GLU 58 HA GLU 58 -9.004 1.943 -6.618 317 HB2 GLU 58 1HB GLU 58 -6.741 3.909 -7.023 318 HB3 GLU 58 2HB GLU 58 -7.390 2.826 -8.245 319 HG2 GLU 58 1HG GLU 58 -8.764 5.149 -6.939 320 HG3 GLU 58 2HG GLU 58 -8.280 4.994 -8.624 321 H ALA 59 H ALA 59 -6.109 2.749 -4.795 322 HA ALA 59 HA ALA 59 -4.592 0.493 -5.585 323 HB1 ALA 59 1HB ALA 59 -4.396 2.194 -3.100 324 HB2 ALA 59 2HB ALA 59 -3.545 2.466 -4.621 325 HB3 ALA 59 3HB ALA 59 -3.181 1.041 -3.649 326 H ILE 60 H ILE 60 -6.902 1.119 -3.008 327 HA ILE 60 HA ILE 60 -6.445 -1.296 -1.578 328 HB ILE 60 HB ILE 60 -8.935 0.414 -1.597 329 HG12 ILE 60 1HG1 ILE 60 -6.492 0.510 0.185 330 HG13 ILE 60 2HG1 ILE 60 -6.932 1.711 -1.024 331 HG21 ILE 60 1HG2 ILE 60 -7.919 -1.591 0.418 332 HG22 ILE 60 2HG2 ILE 60 -9.307 -1.800 -0.649 333 HG23 ILE 60 3HG2 ILE 60 -9.345 -0.570 0.614 334 HD11 ILE 60 1HD1 ILE 60 -8.939 2.247 0.239 335 HD12 ILE 60 2HD1 ILE 60 -7.484 2.451 1.217 336 HD13 ILE 60 3HD1 ILE 60 -8.506 1.030 1.441 337 H ARG 61 H ARG 61 -8.753 -0.380 -4.112 338 HA ARG 61 HA ARG 61 -10.171 -2.836 -4.089 339 HB2 ARG 61 1HB ARG 61 -9.832 -0.783 -6.280 340 HB3 ARG 61 2HB ARG 61 -10.932 -2.153 -6.374 341 HG2 ARG 61 1HG ARG 61 -12.063 -1.301 -4.330 342 HG3 ARG 61 2HG ARG 61 -11.045 0.137 -4.427 343 HD2 ARG 61 1HD ARG 61 -13.195 0.583 -5.441 344 HD3 ARG 61 2HD ARG 61 -11.938 0.589 -6.677 345 HE ARG 61 HE ARG 61 -12.874 -1.962 -6.713 346 HH11 ARG 61 1HH1 ARG 61 -14.397 1.177 -6.994 347 HH12 ARG 61 2HH1 ARG 61 -15.690 0.599 -7.998 348 HH21 ARG 61 1HH2 ARG 61 -14.562 -2.727 -8.035 349 HH22 ARG 61 2HH2 ARG 61 -15.788 -1.627 -8.585 350 H LEU 62 H LEU 62 -7.414 -1.652 -5.946 351 HA LEU 62 HA LEU 62 -6.998 -3.937 -7.530 352 HB2 LEU 62 1HB LEU 62 -5.889 -1.523 -7.473 353 HB3 LEU 62 2HB LEU 62 -4.701 -2.333 -6.477 354 HG LEU 62 HG LEU 62 -4.021 -2.156 -8.837 355 HD11 LEU 62 1HD1 LEU 62 -3.129 -3.961 -7.485 356 HD12 LEU 62 2HD1 LEU 62 -3.341 -4.467 -9.161 357 HD13 LEU 62 3HD1 LEU 62 -4.496 -4.981 -7.932 358 HD21 LEU 62 1HD2 LEU 62 -6.330 -4.009 -9.391 359 HD22 LEU 62 2HD2 LEU 62 -5.123 -3.463 -10.553 360 HD23 LEU 62 3HD2 LEU 62 -6.250 -2.307 -9.845 361 H ALA 63 H ALA 63 -5.968 -3.036 -4.298 362 HA ALA 63 HA ALA 63 -4.295 -5.167 -3.663 363 HB1 ALA 63 1HB ALA 63 -4.535 -3.158 -2.285 364 HB2 ALA 63 2HB ALA 63 -4.783 -4.622 -1.332 365 HB3 ALA 63 3HB ALA 63 -6.169 -3.654 -1.840 366 H GLN 64 H GLN 64 -7.803 -4.842 -3.162 367 HA GLN 64 HA GLN 64 -8.200 -7.359 -1.986 368 HB2 GLN 64 1HB GLN 64 -9.886 -5.639 -1.811 369 HB3 GLN 64 2HB GLN 64 -10.096 -5.603 -3.557 370 HG2 GLN 64 1HG GLN 64 -10.965 -7.888 -3.496 371 HG3 GLN 64 2HG GLN 64 -10.755 -7.920 -1.748 372 HE21 GLN 64 1HE2 GLN 64 -11.619 -5.152 -1.419 373 HE22 GLN 64 2HE2 GLN 64 -13.339 -5.165 -1.622 374 H GLU 65 H GLU 65 -8.161 -6.334 -5.352 375 HA GLU 65 HA GLU 65 -9.090 -8.752 -6.478 376 HB2 GLU 65 1HB GLU 65 -9.017 -6.611 -7.697 377 HB3 GLU 65 2HB GLU 65 -7.261 -6.672 -7.683 378 HG2 GLU 65 1HG GLU 65 -7.223 -8.544 -9.124 379 HG3 GLU 65 2HG GLU 65 -8.956 -8.804 -8.941 380 H ILE 66 H ILE 66 -5.799 -7.546 -5.840 381 HA ILE 66 HA ILE 66 -4.458 -9.823 -6.815 382 HB ILE 66 HB ILE 66 -3.586 -7.905 -4.647 383 HG12 ILE 66 1HG1 ILE 66 -2.979 -7.981 -7.613 384 HG13 ILE 66 2HG1 ILE 66 -4.037 -6.824 -6.808 385 HG21 ILE 66 1HG2 ILE 66 -1.987 -9.909 -6.237 386 HG22 ILE 66 2HG2 ILE 66 -2.316 -9.962 -4.505 387 HG23 ILE 66 3HG2 ILE 66 -1.304 -8.681 -5.172 388 HD11 ILE 66 1HD1 ILE 66 -1.076 -7.117 -6.371 389 HD12 ILE 66 2HD1 ILE 66 -2.130 -5.969 -5.545 390 HD13 ILE 66 3HD1 ILE 66 -1.879 -5.842 -7.286 391 H ALA 67 H ALA 67 -5.773 -9.038 -3.633 392 HA ALA 67 HA ALA 67 -4.760 -11.267 -2.243 393 HB1 ALA 67 1HB ALA 67 -6.485 -10.787 -0.585 394 HB2 ALA 67 2HB ALA 67 -7.291 -9.713 -1.729 395 HB3 ALA 67 3HB ALA 67 -5.686 -9.309 -1.121 396 H GLU 68 H GLU 68 -7.418 -10.930 -4.445 397 HA GLU 68 HA GLU 68 -8.550 -13.507 -3.738 398 HB2 GLU 68 1HB GLU 68 -10.047 -11.667 -4.354 399 HB3 GLU 68 2HB GLU 68 -9.279 -11.558 -5.931 400 HG2 GLU 68 1HG GLU 68 -11.359 -12.708 -6.161 401 HG3 GLU 68 2HG GLU 68 -10.046 -13.853 -6.420 402 H LYS 69 H LYS 69 -6.392 -12.127 -6.058 403 HA LYS 69 HA LYS 69 -6.633 -14.378 -7.880 404 HB2 LYS 69 1HB LYS 69 -5.145 -11.762 -8.016 405 HB3 LYS 69 2HB LYS 69 -5.016 -13.004 -9.256 406 HG2 LYS 69 1HG LYS 69 -7.698 -11.985 -8.426 407 HG3 LYS 69 2HG LYS 69 -6.712 -11.064 -9.562 408 HD2 LYS 69 1HD LYS 69 -6.663 -12.898 -11.101 409 HD3 LYS 69 2HD LYS 69 -7.402 -13.979 -9.921 410 HE2 LYS 69 1HE LYS 69 -8.738 -11.532 -11.061 411 HE3 LYS 69 2HE LYS 69 -8.962 -13.166 -11.682 412 HZ1 LYS 69 1HZ LYS 69 -10.733 -12.570 -10.173 413 HZ2 LYS 69 2HZ LYS 69 -9.629 -12.239 -8.941 414 HZ3 LYS 69 3HZ LYS 69 -9.813 -13.823 -9.508 415 H ALA 70 H ALA 70 -4.492 -13.267 -5.393 416 HA ALA 70 HA ALA 70 -2.343 -15.030 -6.259 417 HB1 ALA 70 1HB ALA 70 -2.586 -13.281 -3.816 418 HB2 ALA 70 2HB ALA 70 -1.727 -12.882 -5.304 419 HB3 ALA 70 3HB ALA 70 -1.153 -14.198 -4.276 420 HA PRO 71 HA PRO 71 -4.056 -18.228 -3.618 421 HB2 PRO 71 1HB PRO 71 -2.657 -20.274 -4.642 422 HB3 PRO 71 2HB PRO 71 -4.012 -19.550 -5.513 423 HG2 PRO 71 1HG PRO 71 -1.086 -19.215 -5.945 424 HG3 PRO 71 2HG PRO 71 -2.398 -19.265 -7.131 425 HD2 PRO 71 1HD PRO 71 -1.165 -16.956 -6.159 426 HD3 PRO 71 2HD PRO 71 -2.724 -17.021 -7.005 427 H GLY 72 H GLY 72 -3.293 -17.853 -1.608 428 HA2 GLY 72 1HA GLY 72 -1.752 -19.274 -0.133 429 HA3 GLY 72 2HA GLY 72 -0.473 -18.488 -1.050 430 HA PRO 73 HA PRO 73 -1.505 -15.824 2.637 431 HB2 PRO 73 1HB PRO 73 1.313 -16.064 3.338 432 HB3 PRO 73 2HB PRO 73 -0.105 -16.463 4.307 433 HG2 PRO 73 1HG PRO 73 1.588 -18.346 3.328 434 HG3 PRO 73 2HG PRO 73 -0.139 -18.647 3.599 435 HD2 PRO 73 1HD PRO 73 1.302 -18.028 1.044 436 HD3 PRO 73 2HD PRO 73 -0.004 -19.196 1.348 437 H VAL 74 H VAL 74 -1.585 -13.794 1.930 438 HA VAL 74 HA VAL 74 0.836 -12.475 1.032 439 HB VAL 74 HB VAL 74 0.040 -13.335 -1.073 440 HG11 VAL 74 1HG1 VAL 74 -2.276 -13.780 -0.495 441 HG12 VAL 74 2HG1 VAL 74 -2.180 -12.807 -1.962 442 HG13 VAL 74 3HG1 VAL 74 -2.609 -12.049 -0.429 443 HG21 VAL 74 1HG2 VAL 74 -0.655 -10.413 -0.810 444 HG22 VAL 74 2HG2 VAL 74 -0.313 -11.258 -2.320 445 HG23 VAL 74 3HG2 VAL 74 0.950 -11.080 -1.102 446 H LYS 75 H LYS 75 0.920 -10.555 1.956 447 HA LYS 75 HA LYS 75 -1.601 -9.305 2.821 448 HB2 LYS 75 1HB LYS 75 -0.022 -9.846 4.650 449 HB3 LYS 75 2HB LYS 75 1.202 -8.850 3.875 450 HG2 LYS 75 1HG LYS 75 -0.284 -6.889 4.138 451 HG3 LYS 75 2HG LYS 75 -1.424 -7.912 5.013 452 HD2 LYS 75 1HD LYS 75 1.440 -7.447 5.838 453 HD3 LYS 75 2HD LYS 75 0.059 -6.568 6.492 454 HE2 LYS 75 1HE LYS 75 0.430 -9.558 6.638 455 HE3 LYS 75 2HE LYS 75 0.814 -8.432 7.937 456 HZ1 LYS 75 1HZ LYS 75 -1.334 -9.384 8.313 457 HZ2 LYS 75 2HZ LYS 75 -1.874 -8.940 6.776 458 HZ3 LYS 75 3HZ LYS 75 -1.537 -7.750 7.932 459 H VAL 76 H VAL 76 -2.154 -7.388 1.977 460 HA VAL 76 HA VAL 76 -0.225 -6.154 0.139 461 HB VAL 76 HB VAL 76 -3.196 -5.647 0.202 462 HG11 VAL 76 1HG1 VAL 76 -1.899 -3.906 -0.860 463 HG12 VAL 76 2HG1 VAL 76 -2.788 -4.814 -2.083 464 HG13 VAL 76 3HG1 VAL 76 -1.062 -5.097 -1.855 465 HG21 VAL 76 1HG2 VAL 76 -3.368 -7.168 -1.721 466 HG22 VAL 76 2HG2 VAL 76 -2.835 -8.010 -0.267 467 HG23 VAL 76 3HG2 VAL 76 -1.670 -7.599 -1.524 468 H LEU 77 H LEU 77 0.629 -4.286 0.639 469 HA LEU 77 HA LEU 77 -0.486 -2.743 2.872 470 HB2 LEU 77 1HB LEU 77 2.029 -3.629 2.544 471 HB3 LEU 77 2HB LEU 77 2.167 -2.116 1.674 472 HG LEU 77 HG LEU 77 2.936 -1.835 3.946 473 HD11 LEU 77 1HD1 LEU 77 1.514 0.012 4.676 474 HD12 LEU 77 2HD1 LEU 77 0.275 -0.492 3.527 475 HD13 LEU 77 3HD1 LEU 77 1.838 0.077 2.945 476 HD21 LEU 77 1HD2 LEU 77 1.646 -3.666 4.944 477 HD22 LEU 77 2HD2 LEU 77 0.184 -2.688 4.820 478 HD23 LEU 77 3HD2 LEU 77 1.506 -2.167 5.861 479 H VAL 78 H VAL 78 -1.725 -1.089 2.281 480 HA VAL 78 HA VAL 78 -1.217 0.208 -0.308 481 HB VAL 78 HB VAL 78 -3.671 0.358 1.449 482 HG11 VAL 78 1HG1 VAL 78 -4.720 1.461 -0.475 483 HG12 VAL 78 2HG1 VAL 78 -3.173 1.443 -1.320 484 HG13 VAL 78 3HG1 VAL 78 -3.362 2.392 0.154 485 HG21 VAL 78 1HG2 VAL 78 -3.400 -1.848 0.456 486 HG22 VAL 78 2HG2 VAL 78 -3.203 -1.120 -1.139 487 HG23 VAL 78 3HG2 VAL 78 -4.746 -0.991 -0.294 488 H LEU 79 H LEU 79 -0.076 2.003 -0.233 489 HA LEU 79 HA LEU 79 0.088 3.521 2.249 490 HB2 LEU 79 1HB LEU 79 1.594 3.758 -0.354 491 HB3 LEU 79 2HB LEU 79 1.803 4.869 0.980 492 HG LEU 79 HG LEU 79 3.611 3.346 1.066 493 HD11 LEU 79 1HD1 LEU 79 3.343 2.270 3.217 494 HD12 LEU 79 2HD1 LEU 79 1.592 2.439 3.105 495 HD13 LEU 79 3HD1 LEU 79 2.608 3.873 3.232 496 HD21 LEU 79 1HD2 LEU 79 2.731 1.601 -0.352 497 HD22 LEU 79 2HD2 LEU 79 1.584 1.129 0.900 498 HD23 LEU 79 3HD2 LEU 79 3.314 0.916 1.164 499 H ILE 80 H ILE 80 -1.547 4.856 2.556 500 HA ILE 80 HA ILE 80 -2.862 6.239 0.393 501 HB ILE 80 HB ILE 80 -3.146 6.690 3.373 502 HG12 ILE 80 1HG1 ILE 80 -3.653 4.357 2.802 503 HG13 ILE 80 2HG1 ILE 80 -5.112 5.226 3.264 504 HG21 ILE 80 1HG2 ILE 80 -5.334 7.641 2.781 505 HG22 ILE 80 2HG2 ILE 80 -4.949 7.426 1.073 506 HG23 ILE 80 3HG2 ILE 80 -3.998 8.536 2.058 507 HD11 ILE 80 1HD1 ILE 80 -5.534 3.778 1.379 508 HD12 ILE 80 2HD1 ILE 80 -4.250 4.560 0.459 509 HD13 ILE 80 3HD1 ILE 80 -5.697 5.466 0.898 510 H THR 81 H THR 81 -2.295 8.185 -0.384 511 HA THR 81 HA THR 81 0.134 9.375 0.436 512 HB THR 81 HB THR 81 -0.696 9.444 -1.897 513 HG1 THR 81 HG1 THR 81 0.071 11.498 -2.293 514 HG21 THR 81 1HG2 THR 81 -2.391 11.097 -2.528 515 HG22 THR 81 2HG2 THR 81 -2.663 11.465 -0.824 516 HG23 THR 81 3HG2 THR 81 -3.054 9.865 -1.455 517 H GLY 82 H GLY 82 0.431 11.590 1.132 518 HA2 GLY 82 1HA GLY 82 -0.649 11.996 3.622 519 HA3 GLY 82 2HA GLY 82 0.171 13.237 2.695 520 H SER 83 H SER 83 -1.432 14.001 0.772 521 HA SER 83 HA SER 83 -3.572 15.243 2.254 522 HB2 SER 83 1HB SER 83 -3.869 16.418 -0.051 523 HB3 SER 83 2HB SER 83 -2.441 16.779 0.919 524 HG SER 83 HG SER 83 -2.662 15.141 -1.374 525 H ALA 84 H ALA 84 -5.153 13.756 2.586 526 HA ALA 84 HA ALA 84 -6.484 12.625 0.226 527 HB1 ALA 84 1HB ALA 84 -7.688 11.201 1.792 528 HB2 ALA 84 2HB ALA 84 -6.926 12.027 3.151 529 HB3 ALA 84 3HB ALA 84 -5.948 11.061 2.046 530 H ASP 85 H ASP 85 -8.670 13.066 -0.175 531 HA ASP 85 HA ASP 85 -9.588 15.620 0.840 532 HB2 ASP 85 1HB ASP 85 -10.840 13.736 -1.175 533 HB3 ASP 85 2HB ASP 85 -11.413 15.358 -0.807 534 HA PRO 86 HA PRO 86 -12.200 14.560 4.146 535 HB2 PRO 86 1HB PRO 86 -14.693 15.455 3.130 536 HB3 PRO 86 2HB PRO 86 -13.583 16.335 4.178 537 HG2 PRO 86 1HG PRO 86 -13.922 16.479 1.234 538 HG3 PRO 86 2HG PRO 86 -13.421 17.740 2.373 539 HD2 PRO 86 1HD PRO 86 -11.658 16.577 0.739 540 HD3 PRO 86 2HD PRO 86 -11.214 17.002 2.406 541 H ASP 87 H ASP 87 -14.018 13.935 1.114 542 HA ASP 87 HA ASP 87 -15.469 11.777 2.298 543 HB2 ASP 87 1HB ASP 87 -15.207 12.816 -0.500 544 HB3 ASP 87 2HB ASP 87 -15.974 11.260 -0.209 545 H GLU 88 H GLU 88 -12.715 11.993 0.109 546 HA GLU 88 HA GLU 88 -12.413 9.281 -0.446 547 HB2 GLU 88 1HB GLU 88 -10.535 11.614 -0.436 548 HB3 GLU 88 2HB GLU 88 -9.913 9.995 -0.720 549 HG2 GLU 88 1HG GLU 88 -10.400 11.272 -2.787 550 HG3 GLU 88 2HG GLU 88 -11.255 9.737 -2.673 551 H LYS 89 H LYS 89 -11.292 11.178 2.303 552 HA LYS 89 HA LYS 89 -9.636 9.322 3.557 553 HB2 LYS 89 1HB LYS 89 -11.561 11.316 4.765 554 HB3 LYS 89 2HB LYS 89 -10.377 10.416 5.698 555 HG2 LYS 89 1HG LYS 89 -8.568 11.505 4.605 556 HG3 LYS 89 2HG LYS 89 -9.652 12.239 3.420 557 HD2 LYS 89 1HD LYS 89 -10.715 13.546 5.178 558 HD3 LYS 89 2HD LYS 89 -9.686 12.783 6.389 559 HE2 LYS 89 1HE LYS 89 -8.632 14.393 4.073 560 HE3 LYS 89 2HE LYS 89 -8.971 15.076 5.661 561 HZ1 LYS 89 1HZ LYS 89 -7.370 13.521 6.613 562 HZ2 LYS 89 2HZ LYS 89 -6.646 14.512 5.451 563 HZ3 LYS 89 3HZ LYS 89 -7.025 12.910 5.074 564 H THR 90 H THR 90 -13.139 9.744 3.862 565 HA THR 90 HA THR 90 -13.453 7.535 5.647 566 HB THR 90 HB THR 90 -15.599 8.955 4.064 567 HG1 THR 90 HG1 THR 90 -15.270 10.617 5.338 568 HG21 THR 90 1HG2 THR 90 -15.685 7.485 6.704 569 HG22 THR 90 2HG2 THR 90 -16.322 6.886 5.172 570 HG23 THR 90 3HG2 THR 90 -17.042 8.304 5.934 571 H LYS 91 H LYS 91 -13.828 8.043 2.186 572 HA LYS 91 HA LYS 91 -15.120 5.603 1.594 573 HB2 LYS 91 1HB LYS 91 -13.408 7.429 -0.096 574 HB3 LYS 91 2HB LYS 91 -14.266 6.034 -0.740 575 HG2 LYS 91 1HG LYS 91 -16.366 6.984 -0.309 576 HG3 LYS 91 2HG LYS 91 -15.685 8.200 0.771 577 HD2 LYS 91 1HD LYS 91 -16.325 9.183 -1.364 578 HD3 LYS 91 2HD LYS 91 -14.580 9.271 -1.125 579 HE2 LYS 91 1HE LYS 91 -14.289 7.313 -2.564 580 HE3 LYS 91 2HE LYS 91 -16.035 7.231 -2.802 581 HZ1 LYS 91 1HZ LYS 91 -14.349 9.559 -3.549 582 HZ2 LYS 91 2HZ LYS 91 -15.993 9.340 -3.899 583 HZ3 LYS 91 3HZ LYS 91 -14.836 8.345 -4.627 584 H ALA 92 H ALA 92 -11.707 6.502 1.808 585 HA ALA 92 HA ALA 92 -10.696 3.989 0.950 586 HB1 ALA 92 1HB ALA 92 -8.564 4.737 1.907 587 HB2 ALA 92 2HB ALA 92 -9.389 6.091 2.680 588 HB3 ALA 92 3HB ALA 92 -9.308 5.998 0.922 589 H LYS 93 H LYS 93 -11.817 5.274 3.982 590 HA LYS 93 HA LYS 93 -10.785 3.263 5.670 591 HB2 LYS 93 1HB LYS 93 -11.589 5.365 6.583 592 HB3 LYS 93 2HB LYS 93 -13.210 5.041 5.985 593 HG2 LYS 93 1HG LYS 93 -13.435 3.173 7.511 594 HG3 LYS 93 2HG LYS 93 -11.778 3.407 8.071 595 HD2 LYS 93 1HD LYS 93 -12.364 5.601 8.943 596 HD3 LYS 93 2HD LYS 93 -14.007 5.425 8.326 597 HE2 LYS 93 1HE LYS 93 -12.734 3.611 10.371 598 HE3 LYS 93 2HE LYS 93 -13.802 4.958 10.755 599 HZ1 LYS 93 1HZ LYS 93 -14.991 2.854 10.726 600 HZ2 LYS 93 2HZ LYS 93 -14.540 2.586 9.115 601 HZ3 LYS 93 3HZ LYS 93 -15.562 3.879 9.509 602 H LYS 94 H LYS 94 -13.993 3.663 4.168 603 HA LYS 94 HA LYS 94 -15.102 1.248 5.062 604 HB2 LYS 94 1HB LYS 94 -15.696 3.117 2.817 605 HB3 LYS 94 2HB LYS 94 -16.443 1.529 2.783 606 HG2 LYS 94 1HG LYS 94 -17.958 3.096 3.776 607 HG3 LYS 94 2HG LYS 94 -17.403 1.972 5.015 608 HD2 LYS 94 1HD LYS 94 -15.867 3.621 5.879 609 HD3 LYS 94 2HD LYS 94 -16.270 4.729 4.568 610 HE2 LYS 94 1HE LYS 94 -18.170 3.742 6.692 611 HE3 LYS 94 2HE LYS 94 -17.413 5.332 6.650 612 HZ1 LYS 94 1HZ LYS 94 -19.666 5.409 5.796 613 HZ2 LYS 94 2HZ LYS 94 -19.293 4.256 4.617 614 HZ3 LYS 94 3HZ LYS 94 -18.563 5.780 4.567 615 H ALA 95 H ALA 95 -13.197 1.995 2.187 616 HA ALA 95 HA ALA 95 -13.384 -0.566 1.002 617 HB1 ALA 95 1HB ALA 95 -11.200 1.495 0.713 618 HB2 ALA 95 2HB ALA 95 -12.684 1.426 -0.239 619 HB3 ALA 95 3HB ALA 95 -11.492 0.130 -0.366 620 H ALA 96 H ALA 96 -11.066 0.886 3.246 621 HA ALA 96 HA ALA 96 -9.220 -1.239 3.293 622 HB1 ALA 96 1HB ALA 96 -8.715 1.018 4.114 623 HB2 ALA 96 2HB ALA 96 -8.361 -0.217 5.320 624 HB3 ALA 96 3HB ALA 96 -9.818 0.765 5.465 625 H GLU 97 H GLU 97 -12.106 -0.563 5.207 626 HA GLU 97 HA GLU 97 -11.769 -2.642 7.080 627 HB2 GLU 97 1HB GLU 97 -14.252 -1.230 6.107 628 HB3 GLU 97 2HB GLU 97 -14.248 -2.389 7.430 629 HG2 GLU 97 1HG GLU 97 -12.710 -0.977 8.678 630 HG3 GLU 97 2HG GLU 97 -12.684 0.179 7.347 631 H GLU 98 H GLU 98 -13.361 -2.536 3.926 632 HA GLU 98 HA GLU 98 -14.381 -5.189 4.069 633 HB2 GLU 98 1HB GLU 98 -15.278 -3.478 2.515 634 HB3 GLU 98 2HB GLU 98 -13.764 -3.520 1.621 635 HG2 GLU 98 1HG GLU 98 -14.152 -5.874 1.081 636 HG3 GLU 98 2HG GLU 98 -15.677 -5.817 1.961 637 H ALA 99 H ALA 99 -11.457 -3.740 2.738 638 HA ALA 99 HA ALA 99 -10.466 -6.159 1.599 639 HB1 ALA 99 1HB ALA 99 -8.947 -3.643 2.250 640 HB2 ALA 99 2HB ALA 99 -9.879 -3.906 0.776 641 HB3 ALA 99 3HB ALA 99 -8.471 -4.910 1.120 642 H ARG 100 H ARG 100 -10.587 -5.028 4.776 643 HA ARG 100 HA ARG 100 -8.130 -5.851 5.831 644 HB2 ARG 100 1HB ARG 100 -9.799 -4.441 7.017 645 HB3 ARG 100 2HB ARG 100 -10.812 -5.861 7.222 646 HG2 ARG 100 1HG ARG 100 -9.038 -6.924 8.541 647 HG3 ARG 100 2HG ARG 100 -8.053 -5.470 8.362 648 HD2 ARG 100 1HD ARG 100 -10.752 -5.644 9.699 649 HD3 ARG 100 2HD ARG 100 -9.196 -5.487 10.513 650 HE ARG 100 HE ARG 100 -9.146 -3.324 8.995 651 HH11 ARG 100 1HH1 ARG 100 -11.773 -4.626 10.904 652 HH12 ARG 100 2HH1 ARG 100 -12.490 -3.078 11.204 653 HH21 ARG 100 1HH2 ARG 100 -10.090 -1.273 9.401 654 HH22 ARG 100 2HH2 ARG 100 -11.522 -1.174 10.377 655 H LYS 101 H LYS 101 -11.131 -7.657 5.308 656 HA LYS 101 HA LYS 101 -10.144 -10.045 6.550 657 HB2 LYS 101 1HB LYS 101 -12.168 -11.114 5.645 658 HB3 LYS 101 2HB LYS 101 -12.536 -9.623 6.497 659 HG2 LYS 101 1HG LYS 101 -12.756 -8.450 4.373 660 HG3 LYS 101 2HG LYS 101 -12.358 -9.935 3.508 661 HD2 LYS 101 1HD LYS 101 -14.761 -9.581 3.516 662 HD3 LYS 101 2HD LYS 101 -14.352 -11.008 4.466 663 HE2 LYS 101 1HE LYS 101 -14.588 -9.747 6.522 664 HE3 LYS 101 2HE LYS 101 -14.889 -8.269 5.609 665 HZ1 LYS 101 1HZ LYS 101 -16.619 -10.682 5.668 666 HZ2 LYS 101 2HZ LYS 101 -16.892 -9.324 4.702 667 HZ3 LYS 101 3HZ LYS 101 -16.956 -9.186 6.384 668 H TRP 102 H TRP 102 -9.372 -8.551 3.733 669 HA TRP 102 HA TRP 102 -8.711 -11.044 2.330 670 HB2 TRP 102 1HB TRP 102 -8.686 -8.165 1.386 671 HB3 TRP 102 2HB TRP 102 -8.184 -9.542 0.405 672 HD1 TRP 102 HD1 TRP 102 -11.319 -7.901 1.880 673 HE1 TRP 102 HE1 TRP 102 -13.379 -8.815 0.640 674 HE3 TRP 102 HE3 TRP 102 -9.040 -11.537 -0.886 675 HZ2 TRP 102 HZ2 TRP 102 -13.956 -10.816 -1.259 676 HZ3 TRP 102 HZ3 TRP 102 -10.416 -12.909 -2.389 677 HH2 TRP 102 HH2 TRP 102 -12.824 -12.557 -2.571 678 H ASN 103 H ASN 103 -7.429 -9.507 4.704 679 HA ASN 103 HA ASN 103 -5.372 -9.200 5.584 680 HB2 ASN 103 1HB ASN 103 -5.061 -11.521 4.623 681 HB3 ASN 103 2HB ASN 103 -4.290 -10.762 3.237 682 HD21 ASN 103 1HD2 ASN 103 -2.412 -11.963 3.750 683 HD22 ASN 103 2HD2 ASN 103 -1.351 -11.446 5.015 684 H VAL 104 H VAL 104 -6.429 -7.207 3.964 685 HA VAL 104 HA VAL 104 -4.025 -6.024 2.747 686 HB VAL 104 HB VAL 104 -6.927 -5.241 2.392 687 HG11 VAL 104 1HG1 VAL 104 -4.442 -4.160 1.066 688 HG12 VAL 104 2HG1 VAL 104 -5.469 -3.308 2.220 689 HG13 VAL 104 3HG1 VAL 104 -6.099 -3.742 0.631 690 HG21 VAL 104 1HG2 VAL 104 -6.440 -7.339 1.284 691 HG22 VAL 104 2HG2 VAL 104 -5.023 -6.631 0.507 692 HG23 VAL 104 3HG2 VAL 104 -6.639 -6.059 0.087 693 H ARG 105 H ARG 105 -3.178 -4.195 3.604 694 HA ARG 105 HA ARG 105 -4.602 -2.986 5.885 695 HB2 ARG 105 1HB ARG 105 -2.817 -4.468 6.686 696 HB3 ARG 105 2HB ARG 105 -1.651 -3.615 5.688 697 HG2 ARG 105 1HG ARG 105 -2.043 -1.576 6.990 698 HG3 ARG 105 2HG ARG 105 -3.187 -2.458 8.005 699 HD2 ARG 105 1HD ARG 105 -1.389 -4.009 8.640 700 HD3 ARG 105 2HD ARG 105 -0.257 -3.071 7.670 701 HE ARG 105 HE ARG 105 -1.215 -1.202 9.322 702 HH11 ARG 105 1HH1 ARG 105 -0.098 -4.453 9.956 703 HH12 ARG 105 2HH1 ARG 105 0.526 -4.070 11.527 704 HH21 ARG 105 1HH2 ARG 105 -0.398 -0.690 11.391 705 HH22 ARG 105 2HH2 ARG 105 0.361 -1.929 12.342 706 H VAL 106 H VAL 106 -4.639 -0.801 5.933 707 HA VAL 106 HA VAL 106 -3.212 0.583 3.777 708 HB VAL 106 HB VAL 106 -4.770 2.461 4.136 709 HG11 VAL 106 1HG1 VAL 106 -5.303 0.796 2.468 710 HG12 VAL 106 2HG1 VAL 106 -6.779 1.359 3.248 711 HG13 VAL 106 3HG1 VAL 106 -6.093 -0.207 3.682 712 HG21 VAL 106 1HG2 VAL 106 -6.742 2.174 5.557 713 HG22 VAL 106 2HG2 VAL 106 -5.255 2.121 6.504 714 HG23 VAL 106 3HG2 VAL 106 -6.111 0.627 6.123 715 H ARG 107 H ARG 107 -1.823 2.200 4.152 716 HA ARG 107 HA ARG 107 -1.378 3.106 6.910 717 HB2 ARG 107 1HB ARG 107 0.237 1.312 6.499 718 HB3 ARG 107 2HB ARG 107 0.750 2.088 5.012 719 HG2 ARG 107 1HG ARG 107 2.396 2.472 6.705 720 HG3 ARG 107 2HG ARG 107 1.592 3.997 6.340 721 HD2 ARG 107 1HD ARG 107 0.471 2.377 8.549 722 HD3 ARG 107 2HD ARG 107 2.034 3.138 8.834 723 HE ARG 107 HE ARG 107 0.724 5.234 7.989 724 HH11 ARG 107 1HH1 ARG 107 -0.458 2.682 10.074 725 HH12 ARG 107 2HH1 ARG 107 -1.555 3.717 10.932 726 HH21 ARG 107 1HH2 ARG 107 -0.698 6.614 9.148 727 HH22 ARG 107 2HH2 ARG 107 -1.693 5.947 10.407 728 H THR 108 H THR 108 -1.742 5.231 6.788 729 HA THR 108 HA THR 108 -1.437 6.674 4.333 730 HB THR 108 HB THR 108 -1.931 7.841 7.074 731 HG1 THR 108 HG1 THR 108 -3.921 7.097 6.962 732 HG21 THR 108 1HG2 THR 108 -3.104 9.591 5.792 733 HG22 THR 108 2HG2 THR 108 -2.631 8.793 4.293 734 HG23 THR 108 3HG2 THR 108 -1.400 9.479 5.352 735 H VAL 109 H VAL 109 0.152 8.001 3.719 736 HA VAL 109 HA VAL 109 2.453 8.346 5.531 737 HB VAL 109 HB VAL 109 2.504 7.875 2.542 738 HG11 VAL 109 1HG1 VAL 109 4.790 8.271 4.471 739 HG12 VAL 109 2HG1 VAL 109 4.249 9.432 3.261 740 HG13 VAL 109 3HG1 VAL 109 4.935 7.889 2.757 741 HG21 VAL 109 1HG2 VAL 109 3.607 5.778 3.072 742 HG22 VAL 109 2HG2 VAL 109 2.030 5.854 3.858 743 HG23 VAL 109 3HG2 VAL 109 3.497 6.132 4.796 744 H THR 110 H THR 110 2.516 10.434 6.069 745 HA THR 110 HA THR 110 1.781 12.417 4.021 746 HB THR 110 HB THR 110 0.476 12.536 6.120 747 HG1 THR 110 HG1 THR 110 1.964 14.860 6.326 748 HG21 THR 110 1HG2 THR 110 3.155 13.101 7.388 749 HG22 THR 110 2HG2 THR 110 2.067 11.760 7.745 750 HG23 THR 110 3HG2 THR 110 1.604 13.407 8.166 751 H SER 111 H SER 111 4.358 11.055 5.744 752 HA SER 111 HA SER 111 6.171 13.037 4.557 753 HB2 SER 111 1HB SER 111 6.421 11.853 7.333 754 HB3 SER 111 2HB SER 111 7.611 12.901 6.560 755 HG SER 111 HG SER 111 5.092 13.950 6.510 756 HA PRO 112 HA PRO 112 7.811 9.576 2.396 757 HB2 PRO 112 1HB PRO 112 10.380 11.035 2.782 758 HB3 PRO 112 2HB PRO 112 9.671 10.376 1.305 759 HG2 PRO 112 1HG PRO 112 9.578 12.988 1.805 760 HG3 PRO 112 2HG PRO 112 8.209 12.152 1.051 761 HD2 PRO 112 1HD PRO 112 8.511 13.169 3.827 762 HD3 PRO 112 2HD PRO 112 7.055 13.027 2.823 763 H ASP 113 H ASP 113 9.366 10.634 5.380 764 HA ASP 113 HA ASP 113 11.122 8.420 5.621 765 HB2 ASP 113 1HB ASP 113 11.495 9.143 7.901 766 HB3 ASP 113 2HB ASP 113 11.449 10.552 6.849 767 H GLU 114 H GLU 114 7.764 8.858 6.331 768 HA GLU 114 HA GLU 114 7.478 6.795 8.249 769 HB2 GLU 114 1HB GLU 114 5.429 7.859 6.303 770 HB3 GLU 114 2HB GLU 114 5.085 6.874 7.713 771 HG2 GLU 114 1HG GLU 114 5.963 8.670 9.148 772 HG3 GLU 114 2HG GLU 114 6.219 9.659 7.709 773 H ALA 115 H ALA 115 6.734 6.857 4.768 774 HA ALA 115 HA ALA 115 5.889 4.220 4.533 775 HB1 ALA 115 1HB ALA 115 5.601 5.988 2.812 776 HB2 ALA 115 2HB ALA 115 6.181 4.454 2.168 777 HB3 ALA 115 3HB ALA 115 7.302 5.794 2.396 778 H LYS 116 H LYS 116 9.128 5.565 3.938 779 HA LYS 116 HA LYS 116 10.335 3.162 3.141 780 HB2 LYS 116 1HB LYS 116 11.262 5.449 2.805 781 HB3 LYS 116 2HB LYS 116 11.635 5.516 4.520 782 HG2 LYS 116 1HG LYS 116 13.261 3.806 4.325 783 HG3 LYS 116 2HG LYS 116 12.744 3.415 2.683 784 HD2 LYS 116 1HD LYS 116 13.468 5.640 1.938 785 HD3 LYS 116 2HD LYS 116 14.010 6.003 3.578 786 HE2 LYS 116 1HE LYS 116 15.689 4.314 3.475 787 HE3 LYS 116 2HE LYS 116 15.046 3.685 1.959 788 HZ1 LYS 116 1HZ LYS 116 15.655 5.762 0.877 789 HZ2 LYS 116 2HZ LYS 116 17.011 5.040 1.594 790 HZ3 LYS 116 3HZ LYS 116 16.268 6.365 2.337 791 H ARG 117 H ARG 117 9.729 4.528 6.291 792 HA ARG 117 HA ARG 117 11.354 2.669 7.741 793 HB2 ARG 117 1HB ARG 117 10.859 4.887 8.630 794 HB3 ARG 117 2HB ARG 117 9.141 4.524 8.634 795 HG2 ARG 117 1HG ARG 117 9.510 2.797 10.322 796 HG3 ARG 117 2HG ARG 117 11.237 3.167 10.316 797 HD2 ARG 117 1HD ARG 117 9.047 5.123 11.002 798 HD3 ARG 117 2HD ARG 117 10.025 4.251 12.177 799 HE ARG 117 HE ARG 117 11.955 5.463 11.357 800 HH11 ARG 117 1HH1 ARG 117 8.823 6.730 10.403 801 HH12 ARG 117 2HH1 ARG 117 9.428 8.334 10.093 802 HH21 ARG 117 1HH2 ARG 117 12.729 7.578 11.010 803 HH22 ARG 117 2HH2 ARG 117 11.639 8.816 10.474 804 H TRP 118 H TRP 118 7.860 3.051 7.201 805 HA TRP 118 HA TRP 118 7.089 0.832 8.755 806 HB2 TRP 118 1HB TRP 118 5.675 2.338 6.559 807 HB3 TRP 118 2HB TRP 118 4.925 1.000 7.421 808 HD1 TRP 118 HD1 TRP 118 4.855 4.571 7.484 809 HE1 TRP 118 HE1 TRP 118 4.238 5.509 9.804 810 HE3 TRP 118 HE3 TRP 118 5.648 0.369 10.286 811 HZ2 TRP 118 HZ2 TRP 118 4.108 4.580 12.465 812 HZ3 TRP 118 HZ3 TRP 118 5.256 0.480 12.709 813 HH2 TRP 118 HH2 TRP 118 4.503 2.541 13.776 814 H ILE 119 H ILE 119 7.608 1.163 5.250 815 HA ILE 119 HA ILE 119 6.772 -1.381 4.486 816 HB ILE 119 HB ILE 119 8.891 0.394 3.270 817 HG12 ILE 119 1HG1 ILE 119 6.030 -0.192 2.466 818 HG13 ILE 119 2HG1 ILE 119 6.579 1.270 3.281 819 HG21 ILE 119 1HG2 ILE 119 8.735 -0.983 1.255 820 HG22 ILE 119 2HG2 ILE 119 7.655 -2.095 2.094 821 HG23 ILE 119 3HG2 ILE 119 9.328 -1.922 2.626 822 HD11 ILE 119 1HD1 ILE 119 7.398 0.369 0.528 823 HD12 ILE 119 2HD1 ILE 119 7.946 1.835 1.340 824 HD13 ILE 119 3HD1 ILE 119 6.246 1.650 0.908 825 H LYS 120 H LYS 120 9.918 -0.298 5.691 826 HA LYS 120 HA LYS 120 11.263 -2.744 5.285 827 HB2 LYS 120 1HB LYS 120 12.414 -0.591 5.772 828 HB3 LYS 120 2HB LYS 120 11.822 -0.684 7.425 829 HG2 LYS 120 1HG LYS 120 13.040 -2.802 7.721 830 HG3 LYS 120 2HG LYS 120 13.673 -2.643 6.083 831 HD2 LYS 120 1HD LYS 120 14.756 -0.538 6.716 832 HD3 LYS 120 2HD LYS 120 14.133 -0.718 8.356 833 HE2 LYS 120 1HE LYS 120 16.056 -2.561 6.946 834 HE3 LYS 120 2HE LYS 120 16.442 -1.449 8.255 835 HZ1 LYS 120 1HZ LYS 120 16.225 -3.638 9.143 836 HZ2 LYS 120 2HZ LYS 120 14.716 -3.867 8.415 837 HZ3 LYS 120 3HZ LYS 120 14.892 -2.741 9.671 838 H GLU 121 H GLU 121 9.481 -1.446 8.073 839 HA GLU 121 HA GLU 121 10.120 -3.552 9.834 840 HB2 GLU 121 1HB GLU 121 9.215 -1.333 10.540 841 HB3 GLU 121 2HB GLU 121 7.644 -1.822 9.918 842 HG2 GLU 121 1HG GLU 121 7.559 -3.656 11.504 843 HG3 GLU 121 2HG GLU 121 9.161 -3.235 12.100 844 H PHE 122 H PHE 122 7.440 -3.099 7.567 845 HA PHE 122 HA PHE 122 6.041 -5.450 8.339 846 HB2 PHE 122 1HB PHE 122 5.968 -3.838 5.785 847 HB3 PHE 122 2HB PHE 122 4.902 -5.202 6.103 848 HD1 PHE 122 HD1 PHE 122 3.908 -4.958 8.692 849 HD2 PHE 122 HD2 PHE 122 4.912 -1.823 5.997 850 HE1 PHE 122 HE1 PHE 122 2.329 -3.467 9.844 851 HE2 PHE 122 HE2 PHE 122 3.335 -0.326 7.145 852 HZ PHE 122 HZ PHE 122 2.042 -1.146 9.072 853 H SER 123 H SER 123 8.757 -4.847 6.275 854 HA SER 123 HA SER 123 8.670 -7.453 5.026 855 HB2 SER 123 1HB SER 123 10.884 -5.385 5.037 856 HB3 SER 123 2HB SER 123 10.772 -6.788 3.973 857 HG SER 123 HG SER 123 9.101 -4.498 4.045 858 H GLU 124 H GLU 124 9.672 -6.212 7.987 859 HA GLU 124 HA GLU 124 11.761 -8.171 8.456 860 HB2 GLU 124 1HB GLU 124 10.438 -6.207 10.338 861 HB3 GLU 124 2HB GLU 124 11.825 -7.208 10.731 862 HG2 GLU 124 1HG GLU 124 11.739 -5.044 8.643 863 HG3 GLU 124 2HG GLU 124 12.476 -4.921 10.237 864 H GLU 125 H GLU 125 8.458 -8.176 8.415 865 HA GLU 125 HA GLU 125 7.887 -9.744 10.724 866 HB2 GLU 125 1HB GLU 125 6.300 -9.217 8.209 867 HB3 GLU 125 2HB GLU 125 5.677 -10.091 9.603 868 HG2 GLU 125 1HG GLU 125 6.706 -7.268 9.726 869 HG3 GLU 125 2HG GLU 125 5.012 -7.689 9.477 Start of MODEL 7 1 HA MET 21 HA MET 21 4.467 -15.661 1.590 2 HB2 MET 21 1HB MET 21 6.224 -15.347 3.321 3 HB3 MET 21 2HB MET 21 6.890 -14.023 2.377 4 HG2 MET 21 1HG MET 21 5.545 -13.174 4.189 5 HG3 MET 21 2HG MET 21 4.798 -12.789 2.640 6 HE1 MET 21 1HE MET 21 3.239 -12.589 5.410 7 HE2 MET 21 2HE MET 21 1.695 -13.314 4.962 8 HE3 MET 21 3HE MET 21 2.513 -12.223 3.845 9 H ARG 22 H ARG 22 3.152 -14.300 0.515 10 HA ARG 22 HA ARG 22 4.394 -12.604 -1.526 11 HB2 ARG 22 1HB ARG 22 2.796 -14.199 -2.405 12 HB3 ARG 22 2HB ARG 22 1.566 -13.639 -1.283 13 HG2 ARG 22 1HG ARG 22 1.305 -12.827 -3.627 14 HG3 ARG 22 2HG ARG 22 1.363 -11.557 -2.407 15 HD2 ARG 22 1HD ARG 22 2.691 -11.024 -4.423 16 HD3 ARG 22 2HD ARG 22 3.659 -11.070 -2.952 17 HE ARG 22 HE ARG 22 3.652 -13.560 -4.378 18 HH11 ARG 22 1HH1 ARG 22 5.127 -10.398 -4.176 19 HH12 ARG 22 2HH1 ARG 22 6.619 -10.895 -4.902 20 HH21 ARG 22 1HH2 ARG 22 5.632 -14.228 -5.329 21 HH22 ARG 22 2HH2 ARG 22 6.909 -13.077 -5.547 22 H LEU 23 H LEU 23 4.918 -10.796 -0.458 23 HA LEU 23 HA LEU 23 2.896 -9.347 1.053 24 HB2 LEU 23 1HB LEU 23 5.746 -8.600 0.382 25 HB3 LEU 23 2HB LEU 23 4.699 -7.761 1.508 26 HG LEU 23 HG LEU 23 5.684 -10.592 1.862 27 HD11 LEU 23 1HD1 LEU 23 7.107 -9.636 3.623 28 HD12 LEU 23 2HD1 LEU 23 6.597 -8.020 3.133 29 HD13 LEU 23 3HD1 LEU 23 7.521 -9.027 2.021 30 HD21 LEU 23 1HD2 LEU 23 4.165 -8.743 3.698 31 HD22 LEU 23 2HD2 LEU 23 4.841 -10.305 4.159 32 HD23 LEU 23 3HD2 LEU 23 3.558 -10.221 2.954 33 H VAL 24 H VAL 24 1.577 -7.978 0.057 34 HA VAL 24 HA VAL 24 2.391 -6.919 -2.575 35 HB VAL 24 HB VAL 24 -0.427 -7.218 -1.519 36 HG11 VAL 24 1HG1 VAL 24 -1.077 -6.815 -3.847 37 HG12 VAL 24 2HG1 VAL 24 0.619 -6.591 -4.278 38 HG13 VAL 24 3HG1 VAL 24 -0.169 -5.458 -3.180 39 HG21 VAL 24 1HG2 VAL 24 1.059 -8.977 -3.469 40 HG22 VAL 24 2HG2 VAL 24 -0.649 -9.113 -3.052 41 HG23 VAL 24 3HG2 VAL 24 0.583 -9.416 -1.828 42 H VAL 25 H VAL 25 2.826 -4.805 -2.618 43 HA VAL 25 HA VAL 25 1.597 -3.110 -0.543 44 HB VAL 25 HB VAL 25 4.390 -2.800 -1.671 45 HG11 VAL 25 1HG1 VAL 25 3.378 -0.683 -1.025 46 HG12 VAL 25 2HG1 VAL 25 4.672 -1.126 0.088 47 HG13 VAL 25 3HG1 VAL 25 2.988 -1.341 0.565 48 HG21 VAL 25 1HG2 VAL 25 3.504 -3.796 1.039 49 HG22 VAL 25 2HG2 VAL 25 5.171 -3.488 0.550 50 HG23 VAL 25 3HG2 VAL 25 4.243 -4.767 -0.235 51 H LEU 26 H LEU 26 0.187 -1.791 -1.509 52 HA LEU 26 HA LEU 26 0.937 -0.630 -4.109 53 HB2 LEU 26 1HB LEU 26 -1.770 -0.863 -2.790 54 HB3 LEU 26 2HB LEU 26 -1.474 0.075 -4.238 55 HG LEU 26 HG LEU 26 -0.541 -2.251 -5.117 56 HD11 LEU 26 1HD1 LEU 26 -2.584 -3.041 -3.056 57 HD12 LEU 26 2HD1 LEU 26 -0.869 -3.451 -3.037 58 HD13 LEU 26 3HD1 LEU 26 -1.919 -4.095 -4.301 59 HD21 LEU 26 1HD2 LEU 26 -2.755 -2.658 -6.083 60 HD22 LEU 26 2HD2 LEU 26 -2.306 -0.954 -6.153 61 HD23 LEU 26 3HD2 LEU 26 -3.455 -1.515 -4.938 62 H ILE 27 H ILE 27 1.638 1.418 -4.081 63 HA ILE 27 HA ILE 27 0.959 2.982 -1.688 64 HB ILE 27 HB ILE 27 3.010 4.267 -1.976 65 HG12 ILE 27 1HG1 ILE 27 4.745 3.055 -3.549 66 HG13 ILE 27 2HG1 ILE 27 3.296 2.624 -4.453 67 HG21 ILE 27 1HG2 ILE 27 3.110 2.343 -0.547 68 HG22 ILE 27 2HG2 ILE 27 4.630 2.486 -1.424 69 HG23 ILE 27 3HG2 ILE 27 3.435 1.289 -1.920 70 HD11 ILE 27 1HD1 ILE 27 4.331 4.636 -5.344 71 HD12 ILE 27 2HD1 ILE 27 4.195 5.419 -3.771 72 HD13 ILE 27 3HD1 ILE 27 2.740 4.997 -4.674 73 H VAL 28 H VAL 28 0.328 5.062 -1.851 74 HA VAL 28 HA VAL 28 -0.888 5.821 -4.377 75 HB VAL 28 HB VAL 28 -1.124 6.819 -1.535 76 HG11 VAL 28 1HG1 VAL 28 -1.138 8.790 -3.023 77 HG12 VAL 28 2HG1 VAL 28 -2.709 8.506 -2.274 78 HG13 VAL 28 3HG1 VAL 28 -2.441 8.053 -3.956 79 HG21 VAL 28 1HG2 VAL 28 -3.117 5.674 -3.484 80 HG22 VAL 28 2HG2 VAL 28 -3.471 6.194 -1.837 81 HG23 VAL 28 3HG2 VAL 28 -2.387 4.831 -2.116 82 H SER 29 H SER 29 -0.345 7.605 -5.538 83 HA SER 29 HA SER 29 2.398 8.155 -5.588 84 HB2 SER 29 1HB SER 29 0.104 9.402 -7.077 85 HB3 SER 29 2HB SER 29 1.798 9.790 -7.375 86 HG SER 29 HG SER 29 0.823 7.127 -7.422 87 H ASN 30 H ASN 30 3.304 10.274 -5.901 88 HA ASN 30 HA ASN 30 2.480 12.640 -4.732 89 HB2 ASN 30 1HB ASN 30 2.689 11.058 -2.654 90 HB3 ASN 30 2HB ASN 30 4.422 11.262 -2.893 91 HD21 ASN 30 1HD2 ASN 30 1.448 12.800 -1.996 92 HD22 ASN 30 2HD2 ASN 30 2.147 14.242 -1.349 93 H ASP 31 H ASP 31 4.904 13.717 -3.960 94 HA ASP 31 HA ASP 31 6.426 14.218 -6.122 95 HB2 ASP 31 1HB ASP 31 6.794 15.142 -3.822 96 HB3 ASP 31 2HB ASP 31 7.620 13.645 -3.401 97 H LYS 32 H LYS 32 7.950 13.247 -7.360 98 HA LYS 32 HA LYS 32 7.708 10.470 -7.623 99 HB2 LYS 32 1HB LYS 32 9.490 10.706 -9.368 100 HB3 LYS 32 2HB LYS 32 8.090 11.746 -9.574 101 HG2 LYS 32 1HG LYS 32 9.376 13.607 -8.583 102 HG3 LYS 32 2HG LYS 32 10.786 12.549 -8.509 103 HD2 LYS 32 1HD LYS 32 10.840 12.339 -10.889 104 HD3 LYS 32 2HD LYS 32 9.289 13.165 -11.051 105 HE2 LYS 32 1HE LYS 32 11.840 14.391 -10.007 106 HE3 LYS 32 2HE LYS 32 11.173 14.628 -11.617 107 HZ1 LYS 32 1HZ LYS 32 9.239 15.670 -10.651 108 HZ2 LYS 32 2HZ LYS 32 10.636 16.461 -10.123 109 HZ3 LYS 32 3HZ LYS 32 9.823 15.398 -9.087 110 H LYS 33 H LYS 33 9.921 12.276 -5.689 111 HA LYS 33 HA LYS 33 12.052 10.429 -5.575 112 HB2 LYS 33 1HB LYS 33 10.992 12.295 -3.445 113 HB3 LYS 33 2HB LYS 33 12.503 11.404 -3.321 114 HG2 LYS 33 1HG LYS 33 13.415 12.596 -5.200 115 HG3 LYS 33 2HG LYS 33 11.873 13.412 -5.470 116 HD2 LYS 33 1HD LYS 33 12.064 14.435 -3.230 117 HD3 LYS 33 2HD LYS 33 13.650 13.685 -3.049 118 HE2 LYS 33 1HE LYS 33 14.512 14.934 -4.907 119 HE3 LYS 33 2HE LYS 33 12.912 15.573 -5.274 120 HZ1 LYS 33 1HZ LYS 33 14.206 17.209 -4.116 121 HZ2 LYS 33 2HZ LYS 33 14.518 16.141 -2.843 122 HZ3 LYS 33 3HZ LYS 33 12.943 16.701 -3.111 123 H LEU 34 H LEU 34 8.989 10.637 -3.887 124 HA LEU 34 HA LEU 34 9.416 8.501 -2.070 125 HB2 LEU 34 1HB LEU 34 7.692 10.184 -1.714 126 HB3 LEU 34 2HB LEU 34 6.873 9.694 -3.185 127 HG LEU 34 HG LEU 34 6.567 7.417 -2.095 128 HD11 LEU 34 1HD1 LEU 34 6.640 7.370 0.344 129 HD12 LEU 34 2HD1 LEU 34 7.337 8.991 0.353 130 HD13 LEU 34 3HD1 LEU 34 8.238 7.647 -0.348 131 HD21 LEU 34 1HD2 LEU 34 4.631 8.168 -0.799 132 HD22 LEU 34 2HD2 LEU 34 4.749 9.000 -2.349 133 HD23 LEU 34 3HD2 LEU 34 5.236 9.822 -0.867 134 H ILE 35 H ILE 35 7.757 8.750 -5.186 135 HA ILE 35 HA ILE 35 6.747 6.164 -5.371 136 HB ILE 35 HB ILE 35 7.674 7.938 -7.638 137 HG12 ILE 35 1HG1 ILE 35 4.950 7.673 -6.341 138 HG13 ILE 35 2HG1 ILE 35 6.044 9.039 -6.151 139 HG21 ILE 35 1HG2 ILE 35 5.742 5.621 -7.631 140 HG22 ILE 35 2HG2 ILE 35 7.347 5.641 -8.363 141 HG23 ILE 35 3HG2 ILE 35 6.072 6.677 -9.004 142 HD11 ILE 35 1HD1 ILE 35 4.280 9.547 -7.733 143 HD12 ILE 35 2HD1 ILE 35 4.742 8.159 -8.719 144 HD13 ILE 35 3HD1 ILE 35 5.848 9.521 -8.538 145 H GLU 36 H GLU 36 9.786 7.460 -6.680 146 HA GLU 36 HA GLU 36 10.723 5.071 -7.809 147 HB2 GLU 36 1HB GLU 36 12.218 7.470 -6.756 148 HB3 GLU 36 2HB GLU 36 12.970 6.173 -7.672 149 HG2 GLU 36 1HG GLU 36 10.733 7.912 -8.678 150 HG3 GLU 36 2HG GLU 36 12.443 8.157 -9.031 151 H GLU 37 H GLU 37 11.407 6.513 -4.621 152 HA GLU 37 HA GLU 37 13.343 4.575 -3.928 153 HB2 GLU 37 1HB GLU 37 13.015 6.909 -2.942 154 HB3 GLU 37 2HB GLU 37 11.755 6.191 -1.947 155 HG2 GLU 37 1HG GLU 37 13.899 6.355 -0.773 156 HG3 GLU 37 2HG GLU 37 13.350 4.688 -0.939 157 H ALA 38 H ALA 38 9.873 4.809 -3.279 158 HA ALA 38 HA ALA 38 9.703 2.658 -1.468 159 HB1 ALA 38 1HB ALA 38 7.610 3.657 -3.401 160 HB2 ALA 38 2HB ALA 38 7.897 4.280 -1.775 161 HB3 ALA 38 3HB ALA 38 7.318 2.630 -1.998 162 H ARG 39 H ARG 39 9.541 2.812 -4.982 163 HA ARG 39 HA ARG 39 8.845 0.096 -5.407 164 HB2 ARG 39 1HB ARG 39 8.585 1.998 -7.039 165 HB3 ARG 39 2HB ARG 39 10.322 1.936 -7.292 166 HG2 ARG 39 1HG ARG 39 10.057 -0.433 -8.028 167 HG3 ARG 39 2HG ARG 39 8.308 -0.198 -7.942 168 HD2 ARG 39 1HD ARG 39 9.088 0.137 -10.218 169 HD3 ARG 39 2HD ARG 39 8.494 1.655 -9.545 170 HE ARG 39 HE ARG 39 11.359 0.969 -9.702 171 HH11 ARG 39 1HH1 ARG 39 8.739 3.268 -10.110 172 HH12 ARG 39 2HH1 ARG 39 9.804 4.603 -10.449 173 HH21 ARG 39 1HH2 ARG 39 12.741 2.711 -10.181 174 HH22 ARG 39 2HH2 ARG 39 12.073 4.285 -10.504 175 H LYS 40 H LYS 40 11.883 1.803 -5.021 176 HA LYS 40 HA LYS 40 13.647 -0.222 -5.870 177 HB2 LYS 40 1HB LYS 40 14.113 1.847 -3.714 178 HB3 LYS 40 2HB LYS 40 15.352 0.951 -4.574 179 HG2 LYS 40 1HG LYS 40 14.782 2.076 -6.638 180 HG3 LYS 40 2HG LYS 40 13.457 2.928 -5.835 181 HD2 LYS 40 1HD LYS 40 15.226 3.813 -4.226 182 HD3 LYS 40 2HD LYS 40 16.417 3.215 -5.379 183 HE2 LYS 40 1HE LYS 40 15.577 4.658 -7.093 184 HE3 LYS 40 2HE LYS 40 14.212 5.141 -6.085 185 HZ1 LYS 40 1HZ LYS 40 15.875 6.847 -6.040 186 HZ2 LYS 40 2HZ LYS 40 17.076 5.748 -5.590 187 HZ3 LYS 40 3HZ LYS 40 15.823 6.115 -4.511 188 H MET 41 H MET 41 12.021 0.386 -2.824 189 HA MET 41 HA MET 41 13.523 -1.497 -1.294 190 HB2 MET 41 1HB MET 41 10.756 -0.443 -0.695 191 HB3 MET 41 2HB MET 41 11.904 -1.123 0.451 192 HG2 MET 41 1HG MET 41 13.414 0.760 0.021 193 HG3 MET 41 2HG MET 41 12.219 1.450 -1.072 194 HE1 MET 41 1HE MET 41 11.833 3.688 -0.020 195 HE2 MET 41 2HE MET 41 13.239 3.347 0.990 196 HE3 MET 41 3HE MET 41 11.762 3.982 1.716 197 H ALA 42 H ALA 42 10.714 -1.645 -3.312 198 HA ALA 42 HA ALA 42 9.482 -3.965 -2.381 199 HB1 ALA 42 1HB ALA 42 8.497 -4.125 -4.608 200 HB2 ALA 42 2HB ALA 42 9.663 -2.946 -5.211 201 HB3 ALA 42 3HB ALA 42 8.468 -2.468 -4.004 202 H GLU 43 H GLU 43 11.921 -3.625 -4.959 203 HA GLU 43 HA GLU 43 12.127 -6.433 -5.381 204 HB2 GLU 43 1HB GLU 43 14.104 -5.853 -6.757 205 HB3 GLU 43 2HB GLU 43 12.678 -4.916 -7.171 206 HG2 GLU 43 1HG GLU 43 13.559 -3.033 -5.864 207 HG3 GLU 43 2HG GLU 43 15.005 -3.978 -5.509 208 H LYS 44 H LYS 44 13.525 -4.276 -3.111 209 HA LYS 44 HA LYS 44 15.811 -5.913 -2.490 210 HB2 LYS 44 1HB LYS 44 15.964 -3.528 -2.137 211 HB3 LYS 44 2HB LYS 44 14.557 -3.550 -1.085 212 HG2 LYS 44 1HG LYS 44 15.791 -4.859 0.559 213 HG3 LYS 44 2HG LYS 44 17.200 -4.870 -0.500 214 HD2 LYS 44 1HD LYS 44 15.918 -2.356 0.554 215 HD3 LYS 44 2HD LYS 44 17.272 -3.167 1.339 216 HE2 LYS 44 1HE LYS 44 17.266 -2.079 -1.476 217 HE3 LYS 44 2HE LYS 44 18.006 -1.300 -0.079 218 HZ1 LYS 44 1HZ LYS 44 18.779 -3.943 -1.195 219 HZ2 LYS 44 2HZ LYS 44 19.486 -3.196 0.147 220 HZ3 LYS 44 3HZ LYS 44 19.638 -2.498 -1.383 221 H ALA 45 H ALA 45 12.646 -5.274 -1.049 222 HA ALA 45 HA ALA 45 13.168 -7.144 1.118 223 HB1 ALA 45 1HB ALA 45 10.724 -5.478 0.537 224 HB2 ALA 45 2HB ALA 45 12.057 -5.016 1.594 225 HB3 ALA 45 3HB ALA 45 11.037 -6.391 2.013 226 H ASN 46 H ASN 46 12.368 -7.554 -1.954 227 HA ASN 46 HA ASN 46 11.427 -9.192 -3.188 228 HB2 ASN 46 1HB ASN 46 11.548 -10.650 -0.550 229 HB3 ASN 46 2HB ASN 46 11.027 -11.416 -2.046 230 HD21 ASN 46 1HD2 ASN 46 12.929 -9.909 -3.684 231 HD22 ASN 46 2HD2 ASN 46 14.483 -10.596 -3.359 232 H LEU 47 H LEU 47 9.691 -7.209 -2.235 233 HA LEU 47 HA LEU 47 7.212 -8.769 -1.975 234 HB2 LEU 47 1HB LEU 47 6.199 -6.772 -0.915 235 HB3 LEU 47 2HB LEU 47 7.472 -7.506 0.030 236 HG LEU 47 HG LEU 47 8.960 -5.645 -1.067 237 HD11 LEU 47 1HD1 LEU 47 7.702 -3.562 -1.415 238 HD12 LEU 47 2HD1 LEU 47 6.194 -4.463 -1.268 239 HD13 LEU 47 3HD1 LEU 47 7.290 -4.794 -2.608 240 HD21 LEU 47 1HD2 LEU 47 6.948 -5.101 1.107 241 HD22 LEU 47 2HD2 LEU 47 8.433 -4.189 0.827 242 HD23 LEU 47 3HD2 LEU 47 8.515 -5.886 1.306 243 H GLU 48 H GLU 48 5.349 -7.923 -3.065 244 HA GLU 48 HA GLU 48 6.134 -6.816 -5.646 245 HB2 GLU 48 1HB GLU 48 4.816 -8.916 -5.553 246 HB3 GLU 48 2HB GLU 48 3.511 -8.040 -4.766 247 HG2 GLU 48 1HG GLU 48 3.167 -6.693 -6.715 248 HG3 GLU 48 2HG GLU 48 4.574 -7.403 -7.505 249 H LEU 49 H LEU 49 6.130 -4.661 -5.682 250 HA LEU 49 HA LEU 49 3.985 -3.266 -4.234 251 HB2 LEU 49 1HB LEU 49 6.374 -2.871 -3.537 252 HB3 LEU 49 2HB LEU 49 6.638 -2.127 -5.101 253 HG LEU 49 HG LEU 49 4.443 -1.055 -3.385 254 HD11 LEU 49 1HD1 LEU 49 6.313 -1.279 -1.842 255 HD12 LEU 49 2HD1 LEU 49 6.026 0.415 -2.243 256 HD13 LEU 49 3HD1 LEU 49 7.370 -0.452 -2.986 257 HD21 LEU 49 1HD2 LEU 49 5.110 1.040 -4.430 258 HD22 LEU 49 2HD2 LEU 49 4.790 -0.194 -5.650 259 HD23 LEU 49 3HD2 LEU 49 6.452 0.227 -5.233 260 H ILE 50 H ILE 50 2.640 -1.970 -5.268 261 HA ILE 50 HA ILE 50 3.094 -1.497 -8.143 262 HB ILE 50 HB ILE 50 0.455 -1.826 -6.697 263 HG12 ILE 50 1HG1 ILE 50 0.239 -3.703 -8.479 264 HG13 ILE 50 2HG1 ILE 50 1.990 -3.579 -8.599 265 HG21 ILE 50 1HG2 ILE 50 -0.591 -1.573 -8.899 266 HG22 ILE 50 2HG2 ILE 50 0.987 -1.212 -9.597 267 HG23 ILE 50 3HG2 ILE 50 0.278 -0.120 -8.407 268 HD11 ILE 50 1HD1 ILE 50 1.335 -5.376 -7.112 269 HD12 ILE 50 2HD1 ILE 50 0.427 -4.243 -6.113 270 HD13 ILE 50 3HD1 ILE 50 2.183 -4.112 -6.221 271 H THR 51 H THR 51 3.258 0.568 -8.727 272 HA THR 51 HA THR 51 2.799 2.639 -6.756 273 HB THR 51 HB THR 51 3.751 4.113 -8.624 274 HG1 THR 51 HG1 THR 51 3.415 2.724 -10.385 275 HG21 THR 51 1HG2 THR 51 6.043 3.381 -8.177 276 HG22 THR 51 2HG2 THR 51 5.441 1.835 -7.578 277 HG23 THR 51 3HG2 THR 51 5.073 3.322 -6.706 278 H VAL 52 H VAL 52 0.787 3.350 -6.540 279 HA VAL 52 HA VAL 52 -0.974 3.452 -8.893 280 HB VAL 52 HB VAL 52 -1.572 3.335 -5.933 281 HG11 VAL 52 1HG1 VAL 52 -3.917 3.476 -6.426 282 HG12 VAL 52 2HG1 VAL 52 -3.598 3.549 -8.156 283 HG13 VAL 52 3HG1 VAL 52 -3.121 4.898 -7.117 284 HG21 VAL 52 1HG2 VAL 52 -0.996 1.206 -6.960 285 HG22 VAL 52 2HG2 VAL 52 -2.216 1.460 -8.207 286 HG23 VAL 52 3HG2 VAL 52 -2.705 1.242 -6.528 287 HA PRO 53 HA PRO 53 -1.452 7.955 -9.107 288 HB2 PRO 53 1HB PRO 53 -4.214 6.757 -8.980 289 HB3 PRO 53 2HB PRO 53 -3.679 8.211 -9.846 290 HG2 PRO 53 1HG PRO 53 -3.781 6.010 -11.205 291 HG3 PRO 53 2HG PRO 53 -2.299 6.992 -11.262 292 HD2 PRO 53 1HD PRO 53 -2.795 4.424 -9.802 293 HD3 PRO 53 2HD PRO 53 -1.323 4.986 -10.621 294 H GLY 54 H GLY 54 -2.483 9.573 -8.030 295 HA2 GLY 54 1HA GLY 54 -2.107 9.469 -5.241 296 HA3 GLY 54 2HA GLY 54 -2.682 10.822 -6.190 297 H SER 55 H SER 55 -4.608 8.087 -6.646 298 HA SER 55 HA SER 55 -6.589 9.138 -4.753 299 HB2 SER 55 1HB SER 55 -8.172 7.789 -6.353 300 HB3 SER 55 2HB SER 55 -7.575 9.376 -6.842 301 HG SER 55 HG SER 55 -6.218 8.461 -8.255 302 HA PRO 56 HA PRO 56 -5.905 5.289 -2.520 303 HB2 PRO 56 1HB PRO 56 -8.287 6.254 -1.048 304 HB3 PRO 56 2HB PRO 56 -6.699 5.796 -0.441 305 HG2 PRO 56 1HG PRO 56 -7.440 8.357 -0.541 306 HG3 PRO 56 2HG PRO 56 -5.774 7.868 -0.904 307 HD2 PRO 56 1HD PRO 56 -7.985 8.603 -2.785 308 HD3 PRO 56 2HD PRO 56 -6.261 9.027 -2.848 309 H GLU 57 H GLU 57 -8.958 6.459 -3.794 310 HA GLU 57 HA GLU 57 -10.550 4.219 -3.793 311 HB2 GLU 57 1HB GLU 57 -11.384 6.258 -4.706 312 HB3 GLU 57 2HB GLU 57 -10.104 6.326 -5.904 313 HG2 GLU 57 1HG GLU 57 -12.152 5.745 -6.982 314 HG3 GLU 57 2HG GLU 57 -11.078 4.350 -7.009 315 H GLU 58 H GLU 58 -8.121 5.061 -6.257 316 HA GLU 58 HA GLU 58 -8.420 2.674 -7.747 317 HB2 GLU 58 1HB GLU 58 -7.425 4.823 -8.585 318 HB3 GLU 58 2HB GLU 58 -6.000 4.486 -7.614 319 HG2 GLU 58 1HG GLU 58 -5.344 3.732 -9.674 320 HG3 GLU 58 2HG GLU 58 -5.954 2.251 -8.940 321 H ALA 59 H ALA 59 -6.190 3.681 -5.207 322 HA ALA 59 HA ALA 59 -4.394 1.524 -5.456 323 HB1 ALA 59 1HB ALA 59 -3.429 2.300 -3.390 324 HB2 ALA 59 2HB ALA 59 -4.869 3.258 -3.043 325 HB3 ALA 59 3HB ALA 59 -3.837 3.680 -4.410 326 H ILE 60 H ILE 60 -6.834 2.112 -2.898 327 HA ILE 60 HA ILE 60 -6.178 -0.329 -1.586 328 HB ILE 60 HB ILE 60 -8.696 1.285 -1.178 329 HG12 ILE 60 1HG1 ILE 60 -5.955 1.661 0.056 330 HG13 ILE 60 2HG1 ILE 60 -6.742 2.765 -1.065 331 HG21 ILE 60 1HG2 ILE 60 -7.131 -0.552 0.638 332 HG22 ILE 60 2HG2 ILE 60 -8.700 -0.888 -0.092 333 HG23 ILE 60 3HG2 ILE 60 -8.544 0.389 1.114 334 HD11 ILE 60 1HD1 ILE 60 -6.879 3.567 1.218 335 HD12 ILE 60 2HD1 ILE 60 -7.698 2.081 1.700 336 HD13 ILE 60 3HD1 ILE 60 -8.481 3.196 0.579 337 H ARG 61 H ARG 61 -8.590 0.591 -3.936 338 HA ARG 61 HA ARG 61 -10.238 -1.705 -3.681 339 HB2 ARG 61 1HB ARG 61 -10.727 0.538 -4.849 340 HB3 ARG 61 2HB ARG 61 -9.851 -0.129 -6.216 341 HG2 ARG 61 1HG ARG 61 -11.465 -2.049 -6.188 342 HG3 ARG 61 2HG ARG 61 -12.404 -1.141 -4.998 343 HD2 ARG 61 1HD ARG 61 -13.317 -0.720 -7.183 344 HD3 ARG 61 2HD ARG 61 -12.520 0.745 -6.609 345 HE ARG 61 HE ARG 61 -11.443 -1.106 -8.633 346 HH11 ARG 61 1HH1 ARG 61 -11.557 2.070 -7.143 347 HH12 ARG 61 2HH1 ARG 61 -10.453 2.772 -8.286 348 HH21 ARG 61 1HH2 ARG 61 -9.982 -0.186 -10.114 349 HH22 ARG 61 2HH2 ARG 61 -9.522 1.488 -9.953 350 H LEU 62 H LEU 62 -7.473 -0.880 -5.734 351 HA LEU 62 HA LEU 62 -7.425 -3.359 -7.139 352 HB2 LEU 62 1HB LEU 62 -6.398 -1.273 -7.991 353 HB3 LEU 62 2HB LEU 62 -5.208 -1.358 -6.708 354 HG LEU 62 HG LEU 62 -4.361 -3.480 -7.653 355 HD11 LEU 62 1HD1 LEU 62 -5.076 -4.162 -9.895 356 HD12 LEU 62 2HD1 LEU 62 -6.326 -2.919 -9.871 357 HD13 LEU 62 3HD1 LEU 62 -6.395 -4.262 -8.731 358 HD21 LEU 62 1HD2 LEU 62 -3.320 -1.362 -8.269 359 HD22 LEU 62 2HD2 LEU 62 -4.458 -1.179 -9.603 360 HD23 LEU 62 3HD2 LEU 62 -3.286 -2.497 -9.618 361 H ALA 63 H ALA 63 -6.054 -2.177 -4.166 362 HA ALA 63 HA ALA 63 -4.196 -4.191 -3.637 363 HB1 ALA 63 1HB ALA 63 -4.387 -2.135 -2.319 364 HB2 ALA 63 2HB ALA 63 -4.432 -3.568 -1.293 365 HB3 ALA 63 3HB ALA 63 -5.923 -2.699 -1.661 366 H GLN 64 H GLN 64 -7.661 -4.032 -2.904 367 HA GLN 64 HA GLN 64 -7.818 -6.571 -1.656 368 HB2 GLN 64 1HB GLN 64 -9.530 -4.849 -1.350 369 HB3 GLN 64 2HB GLN 64 -9.954 -4.947 -3.052 370 HG2 GLN 64 1HG GLN 64 -10.677 -7.267 -2.724 371 HG3 GLN 64 2HG GLN 64 -10.287 -7.133 -1.010 372 HE21 GLN 64 1HE2 GLN 64 -12.441 -6.141 -3.550 373 HE22 GLN 64 2HE2 GLN 64 -13.687 -5.515 -2.523 374 H GLU 65 H GLU 65 -8.174 -5.481 -4.979 375 HA GLU 65 HA GLU 65 -9.125 -7.841 -6.157 376 HB2 GLU 65 1HB GLU 65 -9.079 -5.699 -7.334 377 HB3 GLU 65 2HB GLU 65 -7.322 -5.690 -7.291 378 HG2 GLU 65 1HG GLU 65 -8.062 -6.317 -9.480 379 HG3 GLU 65 2HG GLU 65 -7.307 -7.707 -8.704 380 H ILE 66 H ILE 66 -5.780 -6.636 -5.957 381 HA ILE 66 HA ILE 66 -4.576 -8.920 -7.067 382 HB ILE 66 HB ILE 66 -3.356 -6.939 -5.133 383 HG12 ILE 66 1HG1 ILE 66 -3.323 -6.932 -8.161 384 HG13 ILE 66 2HG1 ILE 66 -4.369 -5.912 -7.173 385 HG21 ILE 66 1HG2 ILE 66 -2.066 -8.825 -7.104 386 HG22 ILE 66 2HG2 ILE 66 -2.015 -8.954 -5.346 387 HG23 ILE 66 3HG2 ILE 66 -1.221 -7.603 -6.155 388 HD11 ILE 66 1HD1 ILE 66 -2.427 -4.691 -7.969 389 HD12 ILE 66 2HD1 ILE 66 -1.359 -5.856 -7.184 390 HD13 ILE 66 3HD1 ILE 66 -2.414 -4.829 -6.211 391 H ALA 67 H ALA 67 -5.482 -8.106 -3.778 392 HA ALA 67 HA ALA 67 -4.006 -10.055 -2.412 393 HB1 ALA 67 1HB ALA 67 -5.417 -9.627 -0.555 394 HB2 ALA 67 2HB ALA 67 -6.710 -9.029 -1.591 395 HB3 ALA 67 3HB ALA 67 -5.223 -8.099 -1.415 396 H GLU 68 H GLU 68 -7.270 -10.168 -3.775 397 HA GLU 68 HA GLU 68 -7.818 -12.818 -2.869 398 HB2 GLU 68 1HB GLU 68 -9.591 -11.175 -3.387 399 HB3 GLU 68 2HB GLU 68 -9.122 -11.213 -5.080 400 HG2 GLU 68 1HG GLU 68 -9.654 -13.671 -5.059 401 HG3 GLU 68 2HG GLU 68 -10.356 -13.422 -3.461 402 H LYS 69 H LYS 69 -6.483 -11.415 -5.788 403 HA LYS 69 HA LYS 69 -6.730 -13.909 -7.257 404 HB2 LYS 69 1HB LYS 69 -5.630 -11.226 -8.106 405 HB3 LYS 69 2HB LYS 69 -5.928 -12.597 -9.169 406 HG2 LYS 69 1HG LYS 69 -8.083 -11.273 -7.546 407 HG3 LYS 69 2HG LYS 69 -7.684 -10.799 -9.195 408 HD2 LYS 69 1HD LYS 69 -8.233 -13.015 -10.000 409 HD3 LYS 69 2HD LYS 69 -8.508 -13.575 -8.350 410 HE2 LYS 69 1HE LYS 69 -10.612 -13.106 -9.505 411 HE3 LYS 69 2HE LYS 69 -10.381 -12.045 -8.119 412 HZ1 LYS 69 1HZ LYS 69 -9.804 -11.290 -10.930 413 HZ2 LYS 69 2HZ LYS 69 -9.737 -10.271 -9.575 414 HZ3 LYS 69 3HZ LYS 69 -11.222 -10.891 -10.099 415 H ALA 70 H ALA 70 -4.549 -12.835 -5.080 416 HA ALA 70 HA ALA 70 -2.156 -13.700 -6.488 417 HB1 ALA 70 1HB ALA 70 -1.999 -11.791 -4.965 418 HB2 ALA 70 2HB ALA 70 -0.970 -13.124 -4.435 419 HB3 ALA 70 3HB ALA 70 -2.506 -12.821 -3.625 420 HA PRO 71 HA PRO 71 -2.717 -17.826 -4.851 421 HB2 PRO 71 1HB PRO 71 -0.753 -19.009 -6.253 422 HB3 PRO 71 2HB PRO 71 -2.280 -18.532 -7.005 423 HG2 PRO 71 1HG PRO 71 0.382 -17.187 -7.100 424 HG3 PRO 71 2HG PRO 71 -0.829 -17.369 -8.377 425 HD2 PRO 71 1HD PRO 71 -0.467 -15.088 -6.853 426 HD3 PRO 71 2HD PRO 71 -1.954 -15.497 -7.727 427 H GLY 72 H GLY 72 -2.095 -17.805 -2.746 428 HA2 GLY 72 1HA GLY 72 -0.195 -19.108 -1.610 429 HA3 GLY 72 2HA GLY 72 0.793 -17.763 -2.166 430 HA PRO 73 HA PRO 73 -0.872 -16.675 2.069 431 HB2 PRO 73 1HB PRO 73 1.939 -16.040 2.616 432 HB3 PRO 73 2HB PRO 73 0.828 -17.054 3.538 433 HG2 PRO 73 1HG PRO 73 2.902 -18.076 2.143 434 HG3 PRO 73 2HG PRO 73 1.378 -18.954 2.363 435 HD2 PRO 73 1HD PRO 73 2.368 -17.438 -0.018 436 HD3 PRO 73 2HD PRO 73 1.473 -18.971 0.051 437 H VAL 74 H VAL 74 -1.704 -14.679 1.952 438 HA VAL 74 HA VAL 74 -0.175 -12.653 0.468 439 HB VAL 74 HB VAL 74 -3.175 -12.950 0.685 440 HG11 VAL 74 1HG1 VAL 74 -1.542 -10.974 -0.904 441 HG12 VAL 74 2HG1 VAL 74 -2.481 -10.607 0.543 442 HG13 VAL 74 3HG1 VAL 74 -3.297 -11.134 -0.928 443 HG21 VAL 74 1HG2 VAL 74 -1.321 -13.379 -1.656 444 HG22 VAL 74 2HG2 VAL 74 -3.082 -13.477 -1.698 445 HG23 VAL 74 3HG2 VAL 74 -2.156 -14.641 -0.750 446 H LYS 75 H LYS 75 0.434 -10.939 1.515 447 HA LYS 75 HA LYS 75 -1.282 -9.855 3.634 448 HB2 LYS 75 1HB LYS 75 0.726 -11.037 4.599 449 HB3 LYS 75 2HB LYS 75 1.742 -9.889 3.742 450 HG2 LYS 75 1HG LYS 75 1.495 -9.265 6.069 451 HG3 LYS 75 2HG LYS 75 0.759 -8.057 5.016 452 HD2 LYS 75 1HD LYS 75 -1.442 -8.932 5.475 453 HD3 LYS 75 2HD LYS 75 -0.754 -10.257 6.417 454 HE2 LYS 75 1HE LYS 75 -0.455 -7.335 7.098 455 HE3 LYS 75 2HE LYS 75 -1.667 -8.404 7.800 456 HZ1 LYS 75 1HZ LYS 75 0.276 -8.169 9.224 457 HZ2 LYS 75 2HZ LYS 75 1.272 -8.785 8.003 458 HZ3 LYS 75 3HZ LYS 75 0.093 -9.768 8.707 459 H VAL 76 H VAL 76 -1.895 -7.857 3.056 460 HA VAL 76 HA VAL 76 -0.290 -6.500 0.994 461 HB VAL 76 HB VAL 76 -3.253 -6.171 1.413 462 HG11 VAL 76 1HG1 VAL 76 -1.449 -5.453 -0.889 463 HG12 VAL 76 2HG1 VAL 76 -2.218 -4.333 0.235 464 HG13 VAL 76 3HG1 VAL 76 -3.205 -5.280 -0.879 465 HG21 VAL 76 1HG2 VAL 76 -1.812 -8.046 -0.446 466 HG22 VAL 76 2HG2 VAL 76 -3.517 -7.629 -0.584 467 HG23 VAL 76 3HG2 VAL 76 -2.929 -8.470 0.849 468 H LEU 77 H LEU 77 -0.034 -4.294 1.080 469 HA LEU 77 HA LEU 77 -1.100 -2.836 3.374 470 HB2 LEU 77 1HB LEU 77 1.112 -3.534 4.103 471 HB3 LEU 77 2HB LEU 77 1.821 -2.964 2.604 472 HG LEU 77 HG LEU 77 1.185 -0.642 3.235 473 HD11 LEU 77 1HD1 LEU 77 0.539 -0.170 5.532 474 HD12 LEU 77 2HD1 LEU 77 0.449 -1.898 5.871 475 HD13 LEU 77 3HD1 LEU 77 -0.670 -1.165 4.722 476 HD21 LEU 77 1HD2 LEU 77 2.914 -2.112 5.215 477 HD22 LEU 77 2HD2 LEU 77 2.918 -0.370 4.939 478 HD23 LEU 77 3HD2 LEU 77 3.431 -1.468 3.657 479 H VAL 78 H VAL 78 -1.963 -1.004 2.660 480 HA VAL 78 HA VAL 78 -0.985 0.018 0.085 481 HB VAL 78 HB VAL 78 -3.281 -0.871 -0.016 482 HG11 VAL 78 1HG1 VAL 78 -5.114 0.226 1.090 483 HG12 VAL 78 2HG1 VAL 78 -4.011 1.369 1.854 484 HG13 VAL 78 3HG1 VAL 78 -3.950 -0.339 2.287 485 HG21 VAL 78 1HG2 VAL 78 -4.280 1.058 -1.126 486 HG22 VAL 78 2HG2 VAL 78 -2.577 0.860 -1.542 487 HG23 VAL 78 3HG2 VAL 78 -3.066 2.105 -0.391 488 H LEU 79 H LEU 79 -0.278 2.024 -0.024 489 HA LEU 79 HA LEU 79 -0.148 3.511 2.518 490 HB2 LEU 79 1HB LEU 79 1.710 3.441 0.142 491 HB3 LEU 79 2HB LEU 79 1.874 4.583 1.451 492 HG LEU 79 HG LEU 79 3.481 2.763 1.635 493 HD11 LEU 79 1HD1 LEU 79 1.369 2.682 3.789 494 HD12 LEU 79 2HD1 LEU 79 2.696 3.837 3.673 495 HD13 LEU 79 3HD1 LEU 79 3.036 2.130 3.956 496 HD21 LEU 79 1HD2 LEU 79 2.240 0.975 0.567 497 HD22 LEU 79 2HD2 LEU 79 1.085 0.955 1.899 498 HD23 LEU 79 3HD2 LEU 79 2.763 0.489 2.179 499 H ILE 80 H ILE 80 -1.889 4.929 2.345 500 HA ILE 80 HA ILE 80 -2.184 6.522 -0.050 501 HB ILE 80 HB ILE 80 -4.253 6.160 0.951 502 HG12 ILE 80 1HG1 ILE 80 -3.320 8.894 1.851 503 HG13 ILE 80 2HG1 ILE 80 -4.027 8.487 0.292 504 HG21 ILE 80 1HG2 ILE 80 -3.455 5.326 3.070 505 HG22 ILE 80 2HG2 ILE 80 -4.748 6.502 3.304 506 HG23 ILE 80 3HG2 ILE 80 -3.069 6.966 3.588 507 HD11 ILE 80 1HD1 ILE 80 -6.135 7.936 1.404 508 HD12 ILE 80 2HD1 ILE 80 -5.639 9.600 1.712 509 HD13 ILE 80 3HD1 ILE 80 -5.420 8.368 2.957 510 H THR 81 H THR 81 -1.236 8.415 -0.430 511 HA THR 81 HA THR 81 0.605 9.375 1.638 512 HB THR 81 HB THR 81 0.833 9.573 -1.371 513 HG1 THR 81 HG1 THR 81 1.812 7.707 -1.258 514 HG21 THR 81 1HG2 THR 81 1.960 11.412 -0.236 515 HG22 THR 81 2HG2 THR 81 3.124 10.294 -0.947 516 HG23 THR 81 3HG2 THR 81 2.818 10.263 0.792 517 H GLY 82 H GLY 82 0.291 11.345 2.420 518 HA2 GLY 82 1HA GLY 82 -0.028 13.708 2.074 519 HA3 GLY 82 2HA GLY 82 -1.131 13.324 0.760 520 H SER 83 H SER 83 -2.874 14.448 1.538 521 HA SER 83 HA SER 83 -3.971 13.532 4.108 522 HB2 SER 83 1HB SER 83 -3.511 15.969 3.954 523 HB3 SER 83 2HB SER 83 -4.605 16.071 2.576 524 HG SER 83 HG SER 83 -6.057 16.409 4.053 525 H ALA 84 H ALA 84 -5.956 12.604 4.167 526 HA ALA 84 HA ALA 84 -7.020 11.675 1.649 527 HB1 ALA 84 1HB ALA 84 -6.807 10.157 3.569 528 HB2 ALA 84 2HB ALA 84 -8.470 10.272 2.996 529 HB3 ALA 84 3HB ALA 84 -7.980 11.130 4.455 530 H ASP 85 H ASP 85 -8.397 12.853 0.530 531 HA ASP 85 HA ASP 85 -9.971 14.961 1.613 532 HB2 ASP 85 1HB ASP 85 -10.144 13.518 -1.044 533 HB3 ASP 85 2HB ASP 85 -11.047 14.971 -0.641 534 HA PRO 86 HA PRO 86 -13.569 13.241 3.388 535 HB2 PRO 86 1HB PRO 86 -15.073 14.552 1.156 536 HB3 PRO 86 2HB PRO 86 -15.428 14.537 2.888 537 HG2 PRO 86 1HG PRO 86 -14.278 16.653 1.770 538 HG3 PRO 86 2HG PRO 86 -13.775 16.094 3.374 539 HD2 PRO 86 1HD PRO 86 -12.367 15.891 0.772 540 HD3 PRO 86 2HD PRO 86 -11.702 15.964 2.416 541 H ASP 87 H ASP 87 -13.903 13.145 -0.178 542 HA ASP 87 HA ASP 87 -15.597 10.907 -0.256 543 HB2 ASP 87 1HB ASP 87 -13.678 12.020 -2.303 544 HB3 ASP 87 2HB ASP 87 -14.713 10.636 -2.633 545 H GLU 88 H GLU 88 -12.083 11.092 -0.748 546 HA GLU 88 HA GLU 88 -11.773 8.285 -1.044 547 HB2 GLU 88 1HB GLU 88 -9.698 10.386 -0.426 548 HB3 GLU 88 2HB GLU 88 -9.378 8.756 -1.004 549 HG2 GLU 88 1HG GLU 88 -10.854 10.913 -2.495 550 HG3 GLU 88 2HG GLU 88 -9.210 10.366 -2.810 551 H LYS 89 H LYS 89 -11.704 10.443 1.682 552 HA LYS 89 HA LYS 89 -10.533 8.733 3.593 553 HB2 LYS 89 1HB LYS 89 -11.035 11.183 3.879 554 HB3 LYS 89 2HB LYS 89 -12.735 10.766 4.030 555 HG2 LYS 89 1HG LYS 89 -12.202 9.430 6.032 556 HG3 LYS 89 2HG LYS 89 -10.517 9.944 5.894 557 HD2 LYS 89 1HD LYS 89 -11.309 12.311 6.028 558 HD3 LYS 89 2HD LYS 89 -12.927 11.697 6.359 559 HE2 LYS 89 1HE LYS 89 -10.472 11.190 8.032 560 HE3 LYS 89 2HE LYS 89 -11.755 12.333 8.412 561 HZ1 LYS 89 1HZ LYS 89 -13.309 10.494 8.555 562 HZ2 LYS 89 2HZ LYS 89 -12.019 10.265 9.620 563 HZ3 LYS 89 3HZ LYS 89 -12.082 9.393 8.176 564 H THR 90 H THR 90 -13.781 9.080 2.333 565 HA THR 90 HA THR 90 -14.978 7.162 4.087 566 HB THR 90 HB THR 90 -16.026 8.170 1.435 567 HG1 THR 90 HG1 THR 90 -15.660 9.979 2.680 568 HG21 THR 90 1HG2 THR 90 -18.223 7.695 2.415 569 HG22 THR 90 2HG2 THR 90 -17.445 7.095 3.879 570 HG23 THR 90 3HG2 THR 90 -17.232 6.237 2.354 571 H LYS 91 H LYS 91 -13.549 7.126 0.872 572 HA LYS 91 HA LYS 91 -14.246 4.504 0.110 573 HB2 LYS 91 1HB LYS 91 -11.636 5.885 -0.534 574 HB3 LYS 91 2HB LYS 91 -12.421 4.615 -1.456 575 HG2 LYS 91 1HG LYS 91 -13.523 7.384 -1.081 576 HG3 LYS 91 2HG LYS 91 -12.591 6.849 -2.478 577 HD2 LYS 91 1HD LYS 91 -14.327 5.094 -2.855 578 HD3 LYS 91 2HD LYS 91 -15.283 5.851 -1.576 579 HE2 LYS 91 1HE LYS 91 -15.975 6.619 -3.799 580 HE3 LYS 91 2HE LYS 91 -15.331 7.937 -2.820 581 HZ1 LYS 91 1HZ LYS 91 -14.517 7.941 -5.131 582 HZ2 LYS 91 2HZ LYS 91 -13.769 6.446 -4.859 583 HZ3 LYS 91 3HZ LYS 91 -13.259 7.822 -3.999 584 H ALA 92 H ALA 92 -11.571 5.812 1.986 585 HA ALA 92 HA ALA 92 -9.991 3.476 1.959 586 HB1 ALA 92 1HB ALA 92 -8.623 4.623 3.612 587 HB2 ALA 92 2HB ALA 92 -9.896 5.820 3.854 588 HB3 ALA 92 3HB ALA 92 -9.064 5.720 2.302 589 H LYS 93 H LYS 93 -12.181 4.891 4.366 590 HA LYS 93 HA LYS 93 -11.632 2.956 6.325 591 HB2 LYS 93 1HB LYS 93 -13.714 3.741 7.432 592 HB3 LYS 93 2HB LYS 93 -12.608 5.035 7.004 593 HG2 LYS 93 1HG LYS 93 -13.959 5.712 5.186 594 HG3 LYS 93 2HG LYS 93 -14.959 4.266 5.307 595 HD2 LYS 93 1HD LYS 93 -16.081 6.256 6.220 596 HD3 LYS 93 2HD LYS 93 -15.835 5.011 7.442 597 HE2 LYS 93 1HE LYS 93 -13.804 7.177 7.133 598 HE3 LYS 93 2HE LYS 93 -15.321 7.533 7.957 599 HZ1 LYS 93 1HZ LYS 93 -13.623 6.866 9.522 600 HZ2 LYS 93 2HZ LYS 93 -13.395 5.399 8.713 601 HZ3 LYS 93 3HZ LYS 93 -14.860 5.713 9.492 602 H LYS 94 H LYS 94 -13.934 3.078 3.710 603 HA LYS 94 HA LYS 94 -15.453 0.813 4.584 604 HB2 LYS 94 1HB LYS 94 -16.408 2.577 3.135 605 HB3 LYS 94 2HB LYS 94 -15.306 2.103 1.852 606 HG2 LYS 94 1HG LYS 94 -17.471 1.173 1.415 607 HG3 LYS 94 2HG LYS 94 -16.355 -0.132 1.824 608 HD2 LYS 94 1HD LYS 94 -17.226 -0.122 4.128 609 HD3 LYS 94 2HD LYS 94 -18.377 1.134 3.671 610 HE2 LYS 94 1HE LYS 94 -19.295 -0.421 1.961 611 HE3 LYS 94 2HE LYS 94 -18.223 -1.673 2.587 612 HZ1 LYS 94 1HZ LYS 94 -19.320 -1.368 4.773 613 HZ2 LYS 94 2HZ LYS 94 -20.354 -1.947 3.569 614 HZ3 LYS 94 3HZ LYS 94 -20.432 -0.326 4.037 615 H ALA 95 H ALA 95 -13.110 1.349 1.956 616 HA ALA 95 HA ALA 95 -13.077 -1.303 1.042 617 HB1 ALA 95 1HB ALA 95 -11.034 -0.688 -0.139 618 HB2 ALA 95 2HB ALA 95 -10.914 0.784 0.824 619 HB3 ALA 95 3HB ALA 95 -12.262 0.569 -0.292 620 H ALA 96 H ALA 96 -11.112 0.355 3.473 621 HA ALA 96 HA ALA 96 -9.233 -1.674 3.928 622 HB1 ALA 96 1HB ALA 96 -9.031 0.617 4.816 623 HB2 ALA 96 2HB ALA 96 -8.811 -0.611 6.061 624 HB3 ALA 96 3HB ALA 96 -10.333 0.271 5.953 625 H GLU 97 H GLU 97 -12.454 -1.152 5.228 626 HA GLU 97 HA GLU 97 -12.341 -3.152 7.230 627 HB2 GLU 97 1HB GLU 97 -13.941 -1.258 7.211 628 HB3 GLU 97 2HB GLU 97 -14.754 -1.984 5.833 629 HG2 GLU 97 1HG GLU 97 -15.383 -3.896 7.172 630 HG3 GLU 97 2HG GLU 97 -14.497 -3.246 8.552 631 H GLU 98 H GLU 98 -13.484 -3.111 3.898 632 HA GLU 98 HA GLU 98 -14.466 -5.789 3.908 633 HB2 GLU 98 1HB GLU 98 -13.628 -4.067 1.566 634 HB3 GLU 98 2HB GLU 98 -14.634 -5.507 1.490 635 HG2 GLU 98 1HG GLU 98 -15.374 -2.994 2.968 636 HG3 GLU 98 2HG GLU 98 -15.887 -3.375 1.326 637 H ALA 99 H ALA 99 -11.452 -4.236 2.988 638 HA ALA 99 HA ALA 99 -10.304 -6.547 1.782 639 HB1 ALA 99 1HB ALA 99 -9.716 -4.206 1.204 640 HB2 ALA 99 2HB ALA 99 -8.329 -5.239 1.534 641 HB3 ALA 99 3HB ALA 99 -8.875 -4.084 2.750 642 H ARG 100 H ARG 100 -10.730 -5.651 5.012 643 HA ARG 100 HA ARG 100 -8.442 -6.570 6.291 644 HB2 ARG 100 1HB ARG 100 -11.323 -6.461 7.109 645 HB3 ARG 100 2HB ARG 100 -10.134 -7.208 8.165 646 HG2 ARG 100 1HG ARG 100 -8.903 -5.166 8.330 647 HG3 ARG 100 2HG ARG 100 -9.919 -4.403 7.106 648 HD2 ARG 100 1HD ARG 100 -10.529 -3.687 9.363 649 HD3 ARG 100 2HD ARG 100 -11.844 -4.558 8.578 650 HE ARG 100 HE ARG 100 -10.608 -6.502 9.976 651 HH11 ARG 100 1HH1 ARG 100 -11.739 -3.313 10.873 652 HH12 ARG 100 2HH1 ARG 100 -12.132 -3.771 12.499 653 HH21 ARG 100 1HH2 ARG 100 -11.117 -7.112 12.105 654 HH22 ARG 100 2HH2 ARG 100 -11.766 -5.937 13.206 655 H LYS 101 H LYS 101 -10.986 -8.376 4.766 656 HA LYS 101 HA LYS 101 -10.596 -10.886 5.938 657 HB2 LYS 101 1HB LYS 101 -12.486 -10.293 4.457 658 HB3 LYS 101 2HB LYS 101 -11.387 -10.256 3.086 659 HG2 LYS 101 1HG LYS 101 -10.965 -12.614 3.301 660 HG3 LYS 101 2HG LYS 101 -11.930 -12.684 4.778 661 HD2 LYS 101 1HD LYS 101 -13.908 -11.978 3.479 662 HD3 LYS 101 2HD LYS 101 -12.927 -12.006 2.011 663 HE2 LYS 101 1HE LYS 101 -13.398 -14.382 3.808 664 HE3 LYS 101 2HE LYS 101 -14.307 -14.046 2.336 665 HZ1 LYS 101 1HZ LYS 101 -12.285 -14.232 1.062 666 HZ2 LYS 101 2HZ LYS 101 -12.512 -15.638 1.972 667 HZ3 LYS 101 3HZ LYS 101 -11.372 -14.490 2.463 668 H TRP 102 H TRP 102 -8.809 -9.211 3.431 669 HA TRP 102 HA TRP 102 -7.084 -11.558 3.064 670 HB2 TRP 102 1HB TRP 102 -7.349 -9.030 1.431 671 HB3 TRP 102 2HB TRP 102 -6.188 -10.316 1.103 672 HD1 TRP 102 HD1 TRP 102 -7.103 -12.545 0.004 673 HE1 TRP 102 HE1 TRP 102 -9.323 -13.131 -1.159 674 HE3 TRP 102 HE3 TRP 102 -9.881 -8.533 1.507 675 HZ2 TRP 102 HZ2 TRP 102 -11.907 -12.029 -1.408 676 HZ3 TRP 102 HZ3 TRP 102 -12.219 -8.370 0.763 677 HH2 TRP 102 HH2 TRP 102 -13.210 -10.085 -0.662 678 H ASN 103 H ASN 103 -7.244 -9.197 5.143 679 HA ASN 103 HA ASN 103 -5.801 -8.213 6.580 680 HB2 ASN 103 1HB ASN 103 -3.884 -10.151 5.292 681 HB3 ASN 103 2HB ASN 103 -3.375 -9.032 6.549 682 HD21 ASN 103 1HD2 ASN 103 -6.495 -10.652 6.387 683 HD22 ASN 103 2HD2 ASN 103 -6.268 -11.622 7.798 684 H VAL 104 H VAL 104 -6.379 -6.942 4.108 685 HA VAL 104 HA VAL 104 -3.947 -5.658 3.222 686 HB VAL 104 HB VAL 104 -6.801 -4.839 2.672 687 HG11 VAL 104 1HG1 VAL 104 -5.858 -3.728 0.702 688 HG12 VAL 104 2HG1 VAL 104 -4.240 -4.203 1.218 689 HG13 VAL 104 3HG1 VAL 104 -5.188 -3.090 2.205 690 HG21 VAL 104 1HG2 VAL 104 -5.022 -6.674 1.070 691 HG22 VAL 104 2HG2 VAL 104 -6.593 -6.066 0.556 692 HG23 VAL 104 3HG2 VAL 104 -6.475 -7.134 1.953 693 H ARG 105 H ARG 105 -2.979 -4.311 4.624 694 HA ARG 105 HA ARG 105 -4.616 -2.734 6.456 695 HB2 ARG 105 1HB ARG 105 -1.624 -3.110 6.291 696 HB3 ARG 105 2HB ARG 105 -2.437 -2.118 7.492 697 HG2 ARG 105 1HG ARG 105 -3.685 -4.182 8.199 698 HG3 ARG 105 2HG ARG 105 -2.601 -5.098 7.149 699 HD2 ARG 105 1HD ARG 105 -1.811 -5.114 9.457 700 HD3 ARG 105 2HD ARG 105 -0.677 -4.271 8.403 701 HE ARG 105 HE ARG 105 -2.264 -2.283 9.371 702 HH11 ARG 105 1HH1 ARG 105 -0.356 -4.807 10.874 703 HH12 ARG 105 2HH1 ARG 105 -0.023 -3.880 12.301 704 HH21 ARG 105 1HH2 ARG 105 -1.830 -1.059 11.233 705 HH22 ARG 105 2HH2 ARG 105 -0.863 -1.739 12.506 706 H VAL 106 H VAL 106 -4.643 -0.524 6.533 707 HA VAL 106 HA VAL 106 -3.540 0.852 4.172 708 HB VAL 106 HB VAL 106 -5.862 1.717 5.910 709 HG11 VAL 106 1HG1 VAL 106 -6.288 3.361 4.150 710 HG12 VAL 106 2HG1 VAL 106 -4.847 2.815 3.291 711 HG13 VAL 106 3HG1 VAL 106 -4.693 3.585 4.870 712 HG21 VAL 106 1HG2 VAL 106 -6.480 -0.267 4.684 713 HG22 VAL 106 2HG2 VAL 106 -5.857 0.426 3.187 714 HG23 VAL 106 3HG2 VAL 106 -7.270 1.137 3.965 715 H ARG 107 H ARG 107 -1.924 2.229 4.538 716 HA ARG 107 HA ARG 107 -1.806 3.562 7.158 717 HB2 ARG 107 1HB ARG 107 0.419 2.207 5.666 718 HB3 ARG 107 2HB ARG 107 0.754 3.507 6.801 719 HG2 ARG 107 1HG ARG 107 -0.355 2.230 8.574 720 HG3 ARG 107 2HG ARG 107 -0.651 0.919 7.430 721 HD2 ARG 107 1HD ARG 107 1.719 0.574 7.150 722 HD3 ARG 107 2HD ARG 107 2.077 1.974 8.161 723 HE ARG 107 HE ARG 107 0.823 0.614 9.947 724 HH11 ARG 107 1HH1 ARG 107 2.851 -0.763 7.442 725 HH12 ARG 107 2HH1 ARG 107 3.279 -2.155 8.384 726 HH21 ARG 107 1HH2 ARG 107 1.401 -1.205 11.189 727 HH22 ARG 107 2HH2 ARG 107 2.461 -2.403 10.512 728 H THR 108 H THR 108 -1.049 5.666 7.175 729 HA THR 108 HA THR 108 -1.244 6.984 4.564 730 HB THR 108 HB THR 108 -1.408 8.257 7.304 731 HG1 THR 108 HG1 THR 108 -3.103 6.573 6.294 732 HG21 THR 108 1HG2 THR 108 -2.518 10.082 6.106 733 HG22 THR 108 2HG2 THR 108 -2.313 9.218 4.582 734 HG23 THR 108 3HG2 THR 108 -0.900 9.803 5.462 735 H VAL 109 H VAL 109 0.414 8.067 3.698 736 HA VAL 109 HA VAL 109 2.870 8.364 5.303 737 HB VAL 109 HB VAL 109 2.597 8.259 2.291 738 HG11 VAL 109 1HG1 VAL 109 5.063 8.272 4.025 739 HG12 VAL 109 2HG1 VAL 109 4.489 9.614 3.035 740 HG13 VAL 109 3HG1 VAL 109 5.031 8.121 2.270 741 HG21 VAL 109 1HG2 VAL 109 3.669 6.063 2.452 742 HG22 VAL 109 2HG2 VAL 109 2.120 6.093 3.295 743 HG23 VAL 109 3HG2 VAL 109 3.625 6.174 4.211 744 H THR 110 H THR 110 3.023 10.386 6.062 745 HA THR 110 HA THR 110 2.033 12.595 4.398 746 HB THR 110 HB THR 110 2.936 12.701 7.284 747 HG1 THR 110 HG1 THR 110 1.074 11.312 6.888 748 HG21 THR 110 1HG2 THR 110 1.641 14.787 7.334 749 HG22 THR 110 2HG2 THR 110 1.274 14.600 5.619 750 HG23 THR 110 3HG2 THR 110 2.938 14.866 6.142 751 H SER 111 H SER 111 4.903 11.203 5.785 752 HA SER 111 HA SER 111 6.489 13.018 4.114 753 HB2 SER 111 1HB SER 111 8.237 13.082 5.898 754 HB3 SER 111 2HB SER 111 6.737 13.863 6.384 755 HG SER 111 HG SER 111 8.019 11.738 7.483 756 HA PRO 112 HA PRO 112 7.965 9.376 2.290 757 HB2 PRO 112 1HB PRO 112 10.603 10.066 1.807 758 HB3 PRO 112 2HB PRO 112 9.227 10.508 0.794 759 HG2 PRO 112 1HG PRO 112 10.645 12.108 2.869 760 HG3 PRO 112 2HG PRO 112 9.977 12.628 1.313 761 HD2 PRO 112 1HD PRO 112 8.716 13.140 3.629 762 HD3 PRO 112 2HD PRO 112 7.820 12.767 2.143 763 H ASP 113 H ASP 113 9.603 10.522 5.137 764 HA ASP 113 HA ASP 113 11.318 8.260 5.445 765 HB2 ASP 113 1HB ASP 113 11.829 9.087 7.620 766 HB3 ASP 113 2HB ASP 113 11.661 10.492 6.577 767 H GLU 114 H GLU 114 7.979 8.844 6.061 768 HA GLU 114 HA GLU 114 7.641 6.727 7.959 769 HB2 GLU 114 1HB GLU 114 5.617 8.087 6.172 770 HB3 GLU 114 2HB GLU 114 5.228 6.980 7.483 771 HG2 GLU 114 1HG GLU 114 6.312 8.544 9.060 772 HG3 GLU 114 2HG GLU 114 6.547 9.670 7.724 773 H ALA 115 H ALA 115 7.432 7.059 4.470 774 HA ALA 115 HA ALA 115 6.282 4.558 3.903 775 HB1 ALA 115 1HB ALA 115 6.407 6.359 2.258 776 HB2 ALA 115 2HB ALA 115 7.129 4.873 1.639 777 HB3 ALA 115 3HB ALA 115 8.162 6.188 2.200 778 H LYS 116 H LYS 116 9.694 5.580 3.949 779 HA LYS 116 HA LYS 116 10.801 3.087 3.328 780 HB2 LYS 116 1HB LYS 116 12.897 3.965 4.188 781 HB3 LYS 116 2HB LYS 116 12.066 5.209 3.268 782 HG2 LYS 116 1HG LYS 116 11.238 6.145 5.423 783 HG3 LYS 116 2HG LYS 116 12.271 4.986 6.257 784 HD2 LYS 116 1HD LYS 116 13.192 7.113 4.327 785 HD3 LYS 116 2HD LYS 116 13.344 7.177 6.083 786 HE2 LYS 116 1HE LYS 116 14.762 5.164 6.006 787 HE3 LYS 116 2HE LYS 116 14.643 5.165 4.248 788 HZ1 LYS 116 1HZ LYS 116 16.683 6.189 4.904 789 HZ2 LYS 116 2HZ LYS 116 15.888 7.256 5.944 790 HZ3 LYS 116 3HZ LYS 116 15.674 7.390 4.270 791 H ARG 117 H ARG 117 9.685 4.437 6.334 792 HA ARG 117 HA ARG 117 10.746 2.416 8.036 793 HB2 ARG 117 1HB ARG 117 10.202 4.558 8.970 794 HB3 ARG 117 2HB ARG 117 8.552 4.458 8.379 795 HG2 ARG 117 1HG ARG 117 8.267 2.458 9.904 796 HG3 ARG 117 2HG ARG 117 9.813 2.917 10.626 797 HD2 ARG 117 1HD ARG 117 8.896 5.141 11.106 798 HD3 ARG 117 2HD ARG 117 7.351 4.644 10.435 799 HE ARG 117 HE ARG 117 8.056 2.839 12.454 800 HH11 ARG 117 1HH1 ARG 117 7.167 6.195 12.081 801 HH12 ARG 117 2HH1 ARG 117 6.434 6.317 13.649 802 HH21 ARG 117 1HH2 ARG 117 7.087 2.984 14.541 803 HH22 ARG 117 2HH2 ARG 117 6.378 4.491 15.043 804 H TRP 118 H TRP 118 7.433 3.091 6.886 805 HA TRP 118 HA TRP 118 6.355 0.866 8.237 806 HB2 TRP 118 1HB TRP 118 5.222 2.626 6.069 807 HB3 TRP 118 2HB TRP 118 4.303 1.333 6.833 808 HD1 TRP 118 HD1 TRP 118 4.513 4.870 7.058 809 HE1 TRP 118 HE1 TRP 118 3.920 5.762 9.399 810 HE3 TRP 118 HE3 TRP 118 4.946 0.524 9.721 811 HZ2 TRP 118 HZ2 TRP 118 3.672 4.758 12.023 812 HZ3 TRP 118 HZ3 TRP 118 4.515 0.577 12.140 813 HH2 TRP 118 HH2 TRP 118 3.891 2.652 13.267 814 H ILE 119 H ILE 119 7.542 1.258 4.937 815 HA ILE 119 HA ILE 119 6.417 -1.137 3.923 816 HB ILE 119 HB ILE 119 8.876 0.369 3.011 817 HG12 ILE 119 1HG1 ILE 119 6.060 0.265 1.902 818 HG13 ILE 119 2HG1 ILE 119 6.731 1.595 2.841 819 HG21 ILE 119 1HG2 ILE 119 8.689 -0.909 0.919 820 HG22 ILE 119 2HG2 ILE 119 7.394 -1.871 1.630 821 HG23 ILE 119 3HG2 ILE 119 9.025 -1.959 2.297 822 HD11 ILE 119 1HD1 ILE 119 8.375 1.998 1.083 823 HD12 ILE 119 2HD1 ILE 119 6.724 2.105 0.473 824 HD13 ILE 119 3HD1 ILE 119 7.694 0.670 0.144 825 H LYS 120 H LYS 120 9.597 -0.429 5.361 826 HA LYS 120 HA LYS 120 10.522 -3.114 5.133 827 HB2 LYS 120 1HB LYS 120 11.487 -0.845 6.874 828 HB3 LYS 120 2HB LYS 120 12.308 -2.391 6.713 829 HG2 LYS 120 1HG LYS 120 12.514 -1.949 4.269 830 HG3 LYS 120 2HG LYS 120 11.863 -0.334 4.565 831 HD2 LYS 120 1HD LYS 120 13.712 0.122 6.105 832 HD3 LYS 120 2HD LYS 120 14.366 -1.487 5.794 833 HE2 LYS 120 1HE LYS 120 15.574 0.099 4.464 834 HE3 LYS 120 2HE LYS 120 14.570 -0.880 3.398 835 HZ1 LYS 120 1HZ LYS 120 14.496 1.467 2.817 836 HZ2 LYS 120 2HZ LYS 120 13.904 1.849 4.357 837 HZ3 LYS 120 3HZ LYS 120 12.970 0.917 3.302 838 H GLU 121 H GLU 121 8.856 -1.293 7.622 839 HA GLU 121 HA GLU 121 9.053 -3.184 9.710 840 HB2 GLU 121 1HB GLU 121 8.328 -0.816 9.980 841 HB3 GLU 121 2HB GLU 121 6.831 -1.204 9.148 842 HG2 GLU 121 1HG GLU 121 6.474 -1.125 11.529 843 HG3 GLU 121 2HG GLU 121 6.253 -2.771 10.936 844 H PHE 122 H PHE 122 7.003 -2.867 6.939 845 HA PHE 122 HA PHE 122 5.091 -4.852 7.732 846 HB2 PHE 122 1HB PHE 122 4.442 -3.013 6.283 847 HB3 PHE 122 2HB PHE 122 5.639 -3.492 5.089 848 HD1 PHE 122 HD1 PHE 122 2.538 -4.620 6.777 849 HD2 PHE 122 HD2 PHE 122 5.094 -4.981 3.395 850 HE1 PHE 122 HE1 PHE 122 0.845 -5.999 5.649 851 HE2 PHE 122 HE2 PHE 122 3.405 -6.363 2.262 852 HZ PHE 122 HZ PHE 122 1.279 -6.872 3.386 853 H SER 123 H SER 123 7.992 -4.734 5.752 854 HA SER 123 HA SER 123 7.588 -7.378 4.694 855 HB2 SER 123 1HB SER 123 9.898 -6.998 3.736 856 HB3 SER 123 2HB SER 123 8.682 -5.815 3.262 857 HG SER 123 HG SER 123 10.982 -5.269 4.270 858 H GLU 124 H GLU 124 10.000 -5.908 6.884 859 HA GLU 124 HA GLU 124 10.229 -8.476 8.242 860 HB2 GLU 124 1HB GLU 124 11.931 -8.338 6.339 861 HB3 GLU 124 2HB GLU 124 12.718 -7.079 7.277 862 HG2 GLU 124 1HG GLU 124 13.017 -8.656 9.127 863 HG3 GLU 124 2HG GLU 124 12.258 -9.919 8.156 864 H GLU 125 H GLU 125 12.386 -5.647 8.289 865 HA GLU 125 HA GLU 125 11.295 -4.842 10.876 866 HB2 GLU 125 1HB GLU 125 14.209 -5.503 10.419 867 HB3 GLU 125 2HB GLU 125 13.592 -4.660 11.831 868 HG2 GLU 125 1HG GLU 125 12.174 -6.668 12.295 869 HG3 GLU 125 2HG GLU 125 13.048 -7.495 11.006 Start of MODEL 8 1 HA MET 21 HA MET 21 2.837 -15.706 0.596 2 HB2 MET 21 1HB MET 21 5.782 -15.360 1.147 3 HB3 MET 21 2HB MET 21 4.575 -14.275 1.814 4 HG2 MET 21 1HG MET 21 5.194 -15.949 3.433 5 HG3 MET 21 2HG MET 21 3.512 -16.155 2.954 6 HE1 MET 21 1HE MET 21 4.888 -19.791 3.713 7 HE2 MET 21 2HE MET 21 3.693 -18.578 4.170 8 HE3 MET 21 3HE MET 21 5.404 -18.298 4.494 9 H ARG 22 H ARG 22 2.077 -13.753 0.008 10 HA ARG 22 HA ARG 22 3.597 -12.336 -2.080 11 HB2 ARG 22 1HB ARG 22 0.607 -12.583 -1.742 12 HB3 ARG 22 2HB ARG 22 1.382 -11.497 -2.887 13 HG2 ARG 22 1HG ARG 22 1.437 -14.503 -2.881 14 HG3 ARG 22 2HG ARG 22 0.710 -13.432 -4.079 15 HD2 ARG 22 1HD ARG 22 3.636 -13.855 -3.518 16 HD3 ARG 22 2HD ARG 22 2.752 -14.231 -4.993 17 HE ARG 22 HE ARG 22 2.486 -11.807 -5.310 18 HH11 ARG 22 1HH1 ARG 22 5.048 -12.984 -3.217 19 HH12 ARG 22 2HH1 ARG 22 5.992 -11.535 -3.356 20 HH21 ARG 22 1HH2 ARG 22 3.719 -9.900 -5.479 21 HH22 ARG 22 2HH2 ARG 22 5.248 -9.796 -4.652 22 H LEU 23 H LEU 23 4.639 -10.835 -0.880 23 HA LEU 23 HA LEU 23 3.106 -9.152 0.947 24 HB2 LEU 23 1HB LEU 23 6.044 -9.073 0.239 25 HB3 LEU 23 2HB LEU 23 5.266 -8.151 1.511 26 HG LEU 23 HG LEU 23 5.546 -11.157 1.439 27 HD11 LEU 23 1HD1 LEU 23 6.906 -9.085 3.153 28 HD12 LEU 23 2HD1 LEU 23 7.658 -10.021 1.862 29 HD13 LEU 23 3HD1 LEU 23 7.074 -10.833 3.313 30 HD21 LEU 23 1HD2 LEU 23 4.676 -11.060 3.735 31 HD22 LEU 23 2HD2 LEU 23 3.496 -10.506 2.550 32 HD23 LEU 23 3HD2 LEU 23 4.373 -9.335 3.535 33 H VAL 24 H VAL 24 1.884 -7.737 -0.140 34 HA VAL 24 HA VAL 24 3.007 -6.471 -2.547 35 HB VAL 24 HB VAL 24 0.105 -6.707 -1.732 36 HG11 VAL 24 1HG1 VAL 24 -0.380 -6.009 -4.016 37 HG12 VAL 24 2HG1 VAL 24 1.345 -5.851 -4.347 38 HG13 VAL 24 3HG1 VAL 24 0.571 -4.784 -3.175 39 HG21 VAL 24 1HG2 VAL 24 1.657 -8.304 -3.769 40 HG22 VAL 24 2HG2 VAL 24 -0.074 -8.422 -3.457 41 HG23 VAL 24 3HG2 VAL 24 1.079 -8.897 -2.212 42 H VAL 25 H VAL 25 3.306 -4.336 -2.643 43 HA VAL 25 HA VAL 25 2.137 -2.665 -0.513 44 HB VAL 25 HB VAL 25 4.768 -2.123 -1.900 45 HG11 VAL 25 1HG1 VAL 25 5.074 -0.485 -0.096 46 HG12 VAL 25 2HG1 VAL 25 3.472 -0.879 0.525 47 HG13 VAL 25 3HG1 VAL 25 3.644 -0.137 -1.065 48 HG21 VAL 25 1HG2 VAL 25 4.315 -3.270 0.856 49 HG22 VAL 25 2HG2 VAL 25 5.872 -2.813 0.165 50 HG23 VAL 25 3HG2 VAL 25 4.955 -4.147 -0.533 51 H LEU 26 H LEU 26 0.578 -1.507 -1.388 52 HA LEU 26 HA LEU 26 0.878 -0.546 -4.152 53 HB2 LEU 26 1HB LEU 26 -1.534 -1.108 -2.444 54 HB3 LEU 26 2HB LEU 26 -1.641 -0.178 -3.929 55 HG LEU 26 HG LEU 26 -0.397 -2.902 -3.973 56 HD11 LEU 26 1HD1 LEU 26 -2.569 -3.873 -4.464 57 HD12 LEU 26 2HD1 LEU 26 -3.348 -2.324 -4.144 58 HD13 LEU 26 3HD1 LEU 26 -2.540 -3.191 -2.840 59 HD21 LEU 26 1HD2 LEU 26 -0.278 -1.349 -5.914 60 HD22 LEU 26 2HD2 LEU 26 -2.038 -1.403 -6.002 61 HD23 LEU 26 3HD2 LEU 26 -1.096 -2.872 -6.258 62 H ILE 27 H ILE 27 1.457 1.507 -4.338 63 HA ILE 27 HA ILE 27 0.902 3.273 -2.047 64 HB ILE 27 HB ILE 27 3.256 2.731 -2.122 65 HG12 ILE 27 1HG1 ILE 27 2.796 5.540 -3.151 66 HG13 ILE 27 2HG1 ILE 27 2.610 5.031 -1.477 67 HG21 ILE 27 1HG2 ILE 27 3.218 3.777 -4.949 68 HG22 ILE 27 2HG2 ILE 27 3.460 2.103 -4.451 69 HG23 ILE 27 3HG2 ILE 27 4.663 3.326 -4.042 70 HD11 ILE 27 1HD1 ILE 27 4.982 4.500 -1.366 71 HD12 ILE 27 2HD1 ILE 27 4.723 6.178 -1.842 72 HD13 ILE 27 3HD1 ILE 27 5.174 4.976 -3.052 73 H VAL 28 H VAL 28 -0.078 5.116 -2.391 74 HA VAL 28 HA VAL 28 -0.036 6.278 -5.092 75 HB VAL 28 HB VAL 28 -2.292 5.551 -4.775 76 HG11 VAL 28 1HG1 VAL 28 -2.204 5.242 -2.332 77 HG12 VAL 28 2HG1 VAL 28 -3.662 6.077 -2.870 78 HG13 VAL 28 3HG1 VAL 28 -2.343 6.990 -2.137 79 HG21 VAL 28 1HG2 VAL 28 -3.534 7.662 -4.782 80 HG22 VAL 28 2HG2 VAL 28 -2.066 7.755 -5.756 81 HG23 VAL 28 3HG2 VAL 28 -2.109 8.490 -4.154 82 H SER 29 H SER 29 1.407 7.895 -4.923 83 HA SER 29 HA SER 29 1.056 9.825 -2.784 84 HB2 SER 29 1HB SER 29 3.662 8.363 -3.231 85 HB3 SER 29 2HB SER 29 3.450 9.751 -2.166 86 HG SER 29 HG SER 29 1.604 7.851 -1.645 87 H ASN 30 H ASN 30 3.005 11.491 -3.019 88 HA ASN 30 HA ASN 30 2.562 12.725 -5.568 89 HB2 ASN 30 1HB ASN 30 4.149 13.572 -3.144 90 HB3 ASN 30 2HB ASN 30 4.014 14.549 -4.601 91 HD21 ASN 30 1HD2 ASN 30 2.034 15.475 -5.127 92 HD22 ASN 30 2HD2 ASN 30 0.769 15.647 -3.962 93 H ASP 31 H ASP 31 4.773 14.048 -6.130 94 HA ASP 31 HA ASP 31 6.236 13.233 -7.974 95 HB2 ASP 31 1HB ASP 31 6.854 15.176 -6.560 96 HB3 ASP 31 2HB ASP 31 7.740 14.080 -5.503 97 H LYS 32 H LYS 32 7.440 11.715 -8.775 98 HA LYS 32 HA LYS 32 7.431 9.185 -7.601 99 HB2 LYS 32 1HB LYS 32 9.027 10.174 -9.962 100 HB3 LYS 32 2HB LYS 32 8.747 8.486 -9.555 101 HG2 LYS 32 1HG LYS 32 6.385 8.736 -9.926 102 HG3 LYS 32 2HG LYS 32 6.574 10.469 -10.188 103 HD2 LYS 32 1HD LYS 32 6.359 9.384 -12.320 104 HD3 LYS 32 2HD LYS 32 8.017 9.960 -12.145 105 HE2 LYS 32 1HE LYS 32 8.722 7.702 -11.497 106 HE3 LYS 32 2HE LYS 32 7.065 7.134 -11.691 107 HZ1 LYS 32 1HZ LYS 32 7.196 7.800 -14.041 108 HZ2 LYS 32 2HZ LYS 32 8.324 6.607 -13.640 109 HZ3 LYS 32 3HZ LYS 32 8.823 8.210 -13.824 110 H LYS 33 H LYS 33 9.732 11.698 -7.141 111 HA LYS 33 HA LYS 33 12.116 10.306 -6.818 112 HB2 LYS 33 1HB LYS 33 12.086 12.707 -6.659 113 HB3 LYS 33 2HB LYS 33 11.023 12.653 -5.260 114 HG2 LYS 33 1HG LYS 33 12.790 11.663 -3.924 115 HG3 LYS 33 2HG LYS 33 13.855 11.630 -5.330 116 HD2 LYS 33 1HD LYS 33 13.842 14.040 -5.448 117 HD3 LYS 33 2HD LYS 33 12.662 14.131 -4.140 118 HE2 LYS 33 1HE LYS 33 15.423 12.952 -3.875 119 HE3 LYS 33 2HE LYS 33 14.999 14.602 -3.429 120 HZ1 LYS 33 1HZ LYS 33 14.986 13.103 -1.526 121 HZ2 LYS 33 2HZ LYS 33 13.797 12.154 -2.255 122 HZ3 LYS 33 3HZ LYS 33 13.451 13.745 -1.806 123 H LEU 34 H LEU 34 9.482 10.774 -4.517 124 HA LEU 34 HA LEU 34 10.675 9.282 -2.411 125 HB2 LEU 34 1HB LEU 34 9.039 10.803 -1.741 126 HB3 LEU 34 2HB LEU 34 7.929 10.314 -3.003 127 HG LEU 34 HG LEU 34 8.507 8.193 -1.062 128 HD11 LEU 34 1HD1 LEU 34 7.056 10.686 -0.188 129 HD12 LEU 34 2HD1 LEU 34 8.595 10.100 0.446 130 HD13 LEU 34 3HD1 LEU 34 7.122 9.164 0.699 131 HD21 LEU 34 1HD2 LEU 34 6.042 8.012 -1.144 132 HD22 LEU 34 2HD2 LEU 34 6.782 7.969 -2.744 133 HD23 LEU 34 3HD2 LEU 34 5.994 9.442 -2.177 134 H ILE 35 H ILE 35 8.434 8.511 -5.008 135 HA ILE 35 HA ILE 35 7.697 5.948 -4.093 136 HB ILE 35 HB ILE 35 7.680 7.009 -6.923 137 HG12 ILE 35 1HG1 ILE 35 5.500 6.973 -4.817 138 HG13 ILE 35 2HG1 ILE 35 6.391 8.400 -5.335 139 HG21 ILE 35 1HG2 ILE 35 5.973 5.291 -7.317 140 HG22 ILE 35 2HG2 ILE 35 6.204 4.693 -5.674 141 HG23 ILE 35 3HG2 ILE 35 7.518 4.583 -6.846 142 HD11 ILE 35 1HD1 ILE 35 5.462 8.165 -7.579 143 HD12 ILE 35 2HD1 ILE 35 4.196 8.310 -6.360 144 HD13 ILE 35 3HD1 ILE 35 4.571 6.735 -7.059 145 H GLU 36 H GLU 36 10.114 6.990 -6.491 146 HA GLU 36 HA GLU 36 11.053 4.456 -7.218 147 HB2 GLU 36 1HB GLU 36 12.607 7.042 -7.042 148 HB3 GLU 36 2HB GLU 36 13.093 5.613 -7.945 149 HG2 GLU 36 1HG GLU 36 10.605 7.222 -8.477 150 HG3 GLU 36 2HG GLU 36 12.122 7.381 -9.358 151 H GLU 37 H GLU 37 12.085 6.619 -4.614 152 HA GLU 37 HA GLU 37 14.185 5.018 -3.654 153 HB2 GLU 37 1HB GLU 37 13.847 7.377 -3.018 154 HB3 GLU 37 2HB GLU 37 12.400 6.926 -2.130 155 HG2 GLU 37 1HG GLU 37 13.735 5.588 -0.602 156 HG3 GLU 37 2HG GLU 37 15.194 5.998 -1.505 157 H ALA 38 H ALA 38 10.737 5.141 -2.787 158 HA ALA 38 HA ALA 38 10.786 3.100 -0.853 159 HB1 ALA 38 1HB ALA 38 8.386 2.931 -1.204 160 HB2 ALA 38 2HB ALA 38 8.524 3.840 -2.709 161 HB3 ALA 38 3HB ALA 38 8.885 4.623 -1.170 162 H ARG 39 H ARG 39 10.401 2.988 -4.367 163 HA ARG 39 HA ARG 39 9.897 0.225 -4.606 164 HB2 ARG 39 1HB ARG 39 11.183 2.166 -6.527 165 HB3 ARG 39 2HB ARG 39 10.765 0.512 -6.947 166 HG2 ARG 39 1HG ARG 39 8.416 0.986 -6.514 167 HG3 ARG 39 2HG ARG 39 8.830 2.643 -6.069 168 HD2 ARG 39 1HD ARG 39 8.006 2.513 -8.365 169 HD3 ARG 39 2HD ARG 39 9.686 3.043 -8.312 170 HE ARG 39 HE ARG 39 9.168 0.202 -8.758 171 HH11 ARG 39 1HH1 ARG 39 10.124 3.319 -10.063 172 HH12 ARG 39 2HH1 ARG 39 10.781 2.631 -11.519 173 HH21 ARG 39 1HH2 ARG 39 10.052 -0.684 -10.669 174 HH22 ARG 39 2HH2 ARG 39 10.761 0.367 -11.854 175 H LYS 40 H LYS 40 12.878 2.080 -4.429 176 HA LYS 40 HA LYS 40 14.683 -0.001 -4.997 177 HB2 LYS 40 1HB LYS 40 15.056 2.416 -3.215 178 HB3 LYS 40 2HB LYS 40 16.351 1.409 -3.843 179 HG2 LYS 40 1HG LYS 40 14.434 3.002 -5.543 180 HG3 LYS 40 2HG LYS 40 16.066 3.511 -5.095 181 HD2 LYS 40 1HD LYS 40 17.010 1.597 -6.256 182 HD3 LYS 40 2HD LYS 40 15.392 1.011 -6.643 183 HE2 LYS 40 1HE LYS 40 14.972 3.012 -7.969 184 HE3 LYS 40 2HE LYS 40 16.574 3.627 -7.565 185 HZ1 LYS 40 1HZ LYS 40 16.497 2.581 -9.760 186 HZ2 LYS 40 2HZ LYS 40 16.045 1.113 -9.055 187 HZ3 LYS 40 3HZ LYS 40 17.563 1.779 -8.722 188 H MET 41 H MET 41 13.000 0.932 -2.079 189 HA MET 41 HA MET 41 14.416 -0.887 -0.374 190 HB2 MET 41 1HB MET 41 11.694 0.363 0.059 191 HB3 MET 41 2HB MET 41 12.721 -0.359 1.289 192 HG2 MET 41 1HG MET 41 13.303 2.137 -0.287 193 HG3 MET 41 2HG MET 41 12.811 2.052 1.403 194 HE1 MET 41 1HE MET 41 15.381 3.615 0.233 195 HE2 MET 41 2HE MET 41 16.577 3.246 1.475 196 HE3 MET 41 3HE MET 41 14.923 3.653 1.935 197 H ALA 42 H ALA 42 11.469 -0.912 -2.261 198 HA ALA 42 HA ALA 42 10.414 -3.347 -1.296 199 HB1 ALA 42 1HB ALA 42 9.066 -1.670 -2.466 200 HB2 ALA 42 2HB ALA 42 8.936 -3.259 -3.220 201 HB3 ALA 42 3HB ALA 42 9.944 -2.013 -3.957 202 H GLU 43 H GLU 43 12.362 -2.586 -4.180 203 HA GLU 43 HA GLU 43 12.447 -5.204 -5.203 204 HB2 GLU 43 1HB GLU 43 14.393 -2.916 -5.511 205 HB3 GLU 43 2HB GLU 43 14.488 -4.412 -6.426 206 HG2 GLU 43 1HG GLU 43 12.206 -2.451 -6.478 207 HG3 GLU 43 2HG GLU 43 13.442 -2.644 -7.721 208 H LYS 44 H LYS 44 14.201 -3.673 -2.641 209 HA LYS 44 HA LYS 44 16.411 -5.446 -2.576 210 HB2 LYS 44 1HB LYS 44 16.435 -3.203 -1.538 211 HB3 LYS 44 2HB LYS 44 15.263 -3.753 -0.348 212 HG2 LYS 44 1HG LYS 44 17.450 -3.765 0.634 213 HG3 LYS 44 2HG LYS 44 16.902 -5.431 0.437 214 HD2 LYS 44 1HD LYS 44 18.229 -5.587 -1.640 215 HD3 LYS 44 2HD LYS 44 18.821 -3.949 -1.361 216 HE2 LYS 44 1HE LYS 44 20.462 -5.561 -0.611 217 HE3 LYS 44 2HE LYS 44 19.802 -4.689 0.770 218 HZ1 LYS 44 1HZ LYS 44 18.962 -7.398 -0.104 219 HZ2 LYS 44 2HZ LYS 44 18.378 -6.567 1.245 220 HZ3 LYS 44 3HZ LYS 44 19.990 -7.064 1.195 221 H ALA 45 H ALA 45 13.561 -5.229 -0.411 222 HA ALA 45 HA ALA 45 14.264 -7.863 0.637 223 HB1 ALA 45 1HB ALA 45 12.679 -7.373 2.428 224 HB2 ALA 45 2HB ALA 45 12.249 -5.860 1.631 225 HB3 ALA 45 3HB ALA 45 13.882 -6.096 2.254 226 H ASN 46 H ASN 46 12.825 -7.129 -1.967 227 HA ASN 46 HA ASN 46 11.343 -8.075 -3.367 228 HB2 ASN 46 1HB ASN 46 12.477 -10.157 -2.505 229 HB3 ASN 46 2HB ASN 46 11.121 -10.347 -1.396 230 HD21 ASN 46 1HD2 ASN 46 12.092 -10.327 -4.746 231 HD22 ASN 46 2HD2 ASN 46 10.711 -11.168 -5.357 232 H LEU 47 H LEU 47 10.169 -6.148 -2.130 233 HA LEU 47 HA LEU 47 7.519 -7.178 -1.377 234 HB2 LEU 47 1HB LEU 47 8.610 -4.356 -1.282 235 HB3 LEU 47 2HB LEU 47 6.974 -4.804 -0.859 236 HG LEU 47 HG LEU 47 8.058 -4.525 1.186 237 HD11 LEU 47 1HD1 LEU 47 6.764 -6.580 1.103 238 HD12 LEU 47 2HD1 LEU 47 8.137 -6.726 2.200 239 HD13 LEU 47 3HD1 LEU 47 8.201 -7.472 0.604 240 HD21 LEU 47 1HD2 LEU 47 10.225 -5.569 1.737 241 HD22 LEU 47 2HD2 LEU 47 10.332 -4.380 0.443 242 HD23 LEU 47 3HD2 LEU 47 10.361 -6.101 0.061 243 H GLU 48 H GLU 48 5.789 -6.887 -2.737 244 HA GLU 48 HA GLU 48 6.448 -6.178 -5.455 245 HB2 GLU 48 1HB GLU 48 5.023 -8.101 -5.022 246 HB3 GLU 48 2HB GLU 48 3.862 -7.086 -4.187 247 HG2 GLU 48 1HG GLU 48 3.005 -6.235 -6.113 248 HG3 GLU 48 2HG GLU 48 4.520 -6.425 -7.003 249 H LEU 49 H LEU 49 6.766 -4.067 -5.672 250 HA LEU 49 HA LEU 49 4.962 -2.160 -4.416 251 HB2 LEU 49 1HB LEU 49 7.568 -2.049 -4.520 252 HB3 LEU 49 2HB LEU 49 7.316 -1.463 -6.148 253 HG LEU 49 HG LEU 49 7.700 0.376 -4.601 254 HD11 LEU 49 1HD1 LEU 49 6.243 0.783 -6.511 255 HD12 LEU 49 2HD1 LEU 49 5.776 1.757 -5.117 256 HD13 LEU 49 3HD1 LEU 49 4.844 0.321 -5.542 257 HD21 LEU 49 1HD2 LEU 49 6.149 0.905 -2.823 258 HD22 LEU 49 2HD2 LEU 49 6.846 -0.697 -2.576 259 HD23 LEU 49 3HD2 LEU 49 5.202 -0.534 -3.194 260 H ILE 50 H ILE 50 3.219 -1.578 -5.476 261 HA ILE 50 HA ILE 50 3.414 -1.136 -8.381 262 HB ILE 50 HB ILE 50 1.079 -2.287 -6.850 263 HG12 ILE 50 1HG1 ILE 50 2.812 -3.909 -7.497 264 HG13 ILE 50 2HG1 ILE 50 1.308 -4.189 -8.365 265 HG21 ILE 50 1HG2 ILE 50 1.162 -1.417 -9.735 266 HG22 ILE 50 2HG2 ILE 50 0.272 -0.620 -8.437 267 HG23 ILE 50 3HG2 ILE 50 -0.176 -2.251 -8.942 268 HD11 ILE 50 1HD1 ILE 50 3.204 -4.461 -9.834 269 HD12 ILE 50 2HD1 ILE 50 3.767 -2.834 -9.452 270 HD13 ILE 50 3HD1 ILE 50 2.253 -3.061 -10.327 271 H THR 51 H THR 51 2.809 0.835 -9.044 272 HA THR 51 HA THR 51 2.052 2.761 -7.026 273 HB THR 51 HB THR 51 2.228 4.351 -9.062 274 HG1 THR 51 HG1 THR 51 2.281 3.013 -10.792 275 HG21 THR 51 1HG2 THR 51 4.687 4.374 -8.876 276 HG22 THR 51 2HG2 THR 51 4.624 2.821 -8.046 277 HG23 THR 51 3HG2 THR 51 3.899 4.247 -7.304 278 H VAL 52 H VAL 52 0.116 3.614 -6.740 279 HA VAL 52 HA VAL 52 -2.058 2.751 -8.518 280 HB VAL 52 HB VAL 52 -2.066 3.665 -5.636 281 HG11 VAL 52 1HG1 VAL 52 -4.448 2.844 -7.292 282 HG12 VAL 52 2HG1 VAL 52 -4.055 4.511 -6.853 283 HG13 VAL 52 3HG1 VAL 52 -4.454 3.330 -5.597 284 HG21 VAL 52 1HG2 VAL 52 -2.803 1.020 -6.882 285 HG22 VAL 52 2HG2 VAL 52 -2.839 1.410 -5.163 286 HG23 VAL 52 3HG2 VAL 52 -1.301 1.368 -6.025 287 HA PRO 53 HA PRO 53 -2.930 6.990 -9.856 288 HB2 PRO 53 1HB PRO 53 -5.697 6.576 -9.901 289 HB3 PRO 53 2HB PRO 53 -4.593 6.352 -11.259 290 HG2 PRO 53 1HG PRO 53 -5.716 4.338 -9.377 291 HG3 PRO 53 2HG PRO 53 -5.382 4.193 -11.113 292 HD2 PRO 53 1HD PRO 53 -3.772 3.073 -9.303 293 HD3 PRO 53 2HD PRO 53 -3.110 3.827 -10.768 294 H GLY 54 H GLY 54 -4.255 8.764 -9.063 295 HA2 GLY 54 1HA GLY 54 -3.735 9.098 -6.314 296 HA3 GLY 54 2HA GLY 54 -4.510 10.264 -7.360 297 H SER 55 H SER 55 -6.164 7.283 -7.274 298 HA SER 55 HA SER 55 -8.065 8.409 -5.338 299 HB2 SER 55 1HB SER 55 -9.696 6.800 -6.461 300 HB3 SER 55 2HB SER 55 -9.156 8.165 -7.437 301 HG SER 55 HG SER 55 -8.322 6.809 -8.798 302 HA PRO 56 HA PRO 56 -6.611 5.150 -2.593 303 HB2 PRO 56 1HB PRO 56 -9.072 5.970 -1.143 304 HB3 PRO 56 2HB PRO 56 -7.417 5.821 -0.557 305 HG2 PRO 56 1HG PRO 56 -8.487 8.217 -0.987 306 HG3 PRO 56 2HG PRO 56 -6.792 7.894 -1.394 307 HD2 PRO 56 1HD PRO 56 -9.175 8.068 -3.196 308 HD3 PRO 56 2HD PRO 56 -7.518 8.654 -3.455 309 H GLU 57 H GLU 57 -9.845 5.531 -3.847 310 HA GLU 57 HA GLU 57 -11.035 3.110 -3.233 311 HB2 GLU 57 1HB GLU 57 -12.182 4.944 -4.388 312 HB3 GLU 57 2HB GLU 57 -11.186 4.690 -5.811 313 HG2 GLU 57 1HG GLU 57 -13.250 3.708 -6.301 314 HG3 GLU 57 2HG GLU 57 -12.171 2.368 -5.925 315 H GLU 58 H GLU 58 -8.861 3.907 -5.925 316 HA GLU 58 HA GLU 58 -8.979 1.345 -7.134 317 HB2 GLU 58 1HB GLU 58 -8.267 3.506 -8.249 318 HB3 GLU 58 2HB GLU 58 -6.735 3.348 -7.400 319 HG2 GLU 58 1HG GLU 58 -6.343 2.475 -9.533 320 HG3 GLU 58 2HG GLU 58 -6.538 1.065 -8.493 321 H ALA 59 H ALA 59 -6.880 2.828 -4.742 322 HA ALA 59 HA ALA 59 -4.792 0.975 -4.745 323 HB1 ALA 59 1HB ALA 59 -5.852 2.547 -2.399 324 HB2 ALA 59 2HB ALA 59 -4.687 3.134 -3.585 325 HB3 ALA 59 3HB ALA 59 -4.259 1.798 -2.516 326 H ILE 60 H ILE 60 -7.788 1.022 -2.849 327 HA ILE 60 HA ILE 60 -7.166 -1.365 -1.417 328 HB ILE 60 HB ILE 60 -9.845 -0.026 -1.817 329 HG12 ILE 60 1HG1 ILE 60 -8.173 1.441 -0.748 330 HG13 ILE 60 2HG1 ILE 60 -9.448 0.988 0.376 331 HG21 ILE 60 1HG2 ILE 60 -10.490 -1.260 0.226 332 HG22 ILE 60 2HG2 ILE 60 -8.946 -2.108 0.166 333 HG23 ILE 60 3HG2 ILE 60 -10.120 -2.323 -1.131 334 HD11 ILE 60 1HD1 ILE 60 -7.299 0.933 1.467 335 HD12 ILE 60 2HD1 ILE 60 -6.680 -0.185 0.252 336 HD13 ILE 60 3HD1 ILE 60 -7.958 -0.698 1.354 337 H ARG 61 H ARG 61 -9.068 -0.636 -4.304 338 HA ARG 61 HA ARG 61 -10.131 -3.277 -4.526 339 HB2 ARG 61 1HB ARG 61 -10.009 -0.987 -6.480 340 HB3 ARG 61 2HB ARG 61 -10.815 -2.515 -6.818 341 HG2 ARG 61 1HG ARG 61 -12.289 -2.163 -4.905 342 HG3 ARG 61 2HG ARG 61 -11.489 -0.626 -4.571 343 HD2 ARG 61 1HD ARG 61 -12.200 0.221 -6.742 344 HD3 ARG 61 2HD ARG 61 -12.971 -1.323 -7.101 345 HE ARG 61 HE ARG 61 -13.812 0.451 -4.890 346 HH11 ARG 61 1HH1 ARG 61 -14.551 -1.763 -7.515 347 HH12 ARG 61 2HH1 ARG 61 -16.266 -1.697 -7.257 348 HH21 ARG 61 1HH2 ARG 61 -16.057 0.541 -4.554 349 HH22 ARG 61 2HH2 ARG 61 -17.126 -0.378 -5.563 350 H LEU 62 H LEU 62 -7.251 -1.691 -5.706 351 HA LEU 62 HA LEU 62 -6.461 -3.716 -7.529 352 HB2 LEU 62 1HB LEU 62 -5.471 -1.269 -6.782 353 HB3 LEU 62 2HB LEU 62 -4.322 -2.354 -6.028 354 HG LEU 62 HG LEU 62 -3.493 -1.651 -8.185 355 HD11 LEU 62 1HD1 LEU 62 -3.128 -3.821 -9.248 356 HD12 LEU 62 2HD1 LEU 62 -4.409 -4.520 -8.258 357 HD13 LEU 62 3HD1 LEU 62 -2.939 -3.911 -7.497 358 HD21 LEU 62 1HD2 LEU 62 -5.631 -1.119 -9.235 359 HD22 LEU 62 2HD2 LEU 62 -6.012 -2.838 -9.339 360 HD23 LEU 62 3HD2 LEU 62 -4.659 -2.178 -10.257 361 H ALA 63 H ALA 63 -5.940 -3.164 -4.085 362 HA ALA 63 HA ALA 63 -4.363 -5.424 -3.535 363 HB1 ALA 63 1HB ALA 63 -5.051 -5.108 -1.211 364 HB2 ALA 63 2HB ALA 63 -6.327 -4.008 -1.732 365 HB3 ALA 63 3HB ALA 63 -4.635 -3.567 -1.962 366 H GLN 64 H GLN 64 -7.866 -4.918 -3.416 367 HA GLN 64 HA GLN 64 -8.681 -7.445 -2.600 368 HB2 GLN 64 1HB GLN 64 -10.206 -5.546 -2.775 369 HB3 GLN 64 2HB GLN 64 -10.020 -5.527 -4.521 370 HG2 GLN 64 1HG GLN 64 -12.120 -6.519 -3.997 371 HG3 GLN 64 2HG GLN 64 -11.051 -7.779 -4.604 372 HE21 GLN 64 1HE2 GLN 64 -13.444 -7.959 -2.933 373 HE22 GLN 64 2HE2 GLN 64 -12.956 -8.788 -1.499 374 H GLU 65 H GLU 65 -7.992 -6.230 -5.847 375 HA GLU 65 HA GLU 65 -8.682 -8.530 -7.295 376 HB2 GLU 65 1HB GLU 65 -8.246 -6.267 -8.266 377 HB3 GLU 65 2HB GLU 65 -6.531 -6.513 -7.968 378 HG2 GLU 65 1HG GLU 65 -6.877 -7.009 -10.237 379 HG3 GLU 65 2HG GLU 65 -6.693 -8.562 -9.425 380 H ILE 66 H ILE 66 -5.471 -7.428 -6.193 381 HA ILE 66 HA ILE 66 -4.068 -9.680 -7.105 382 HB ILE 66 HB ILE 66 -3.377 -7.798 -4.844 383 HG12 ILE 66 1HG1 ILE 66 -2.494 -7.850 -7.740 384 HG13 ILE 66 2HG1 ILE 66 -3.660 -6.722 -7.051 385 HG21 ILE 66 1HG2 ILE 66 -1.666 -9.815 -6.292 386 HG22 ILE 66 2HG2 ILE 66 -2.102 -9.824 -4.583 387 HG23 ILE 66 3HG2 ILE 66 -1.047 -8.562 -5.218 388 HD11 ILE 66 1HD1 ILE 66 -1.917 -5.805 -5.611 389 HD12 ILE 66 2HD1 ILE 66 -1.474 -5.697 -7.316 390 HD13 ILE 66 3HD1 ILE 66 -0.754 -6.941 -6.293 391 H ALA 67 H ALA 67 -5.747 -9.061 -4.076 392 HA ALA 67 HA ALA 67 -4.695 -11.168 -2.563 393 HB1 ALA 67 1HB ALA 67 -5.973 -9.340 -1.584 394 HB2 ALA 67 2HB ALA 67 -6.650 -10.906 -1.134 395 HB3 ALA 67 3HB ALA 67 -7.434 -9.930 -2.378 396 H GLU 68 H GLU 68 -7.336 -11.129 -4.901 397 HA GLU 68 HA GLU 68 -7.966 -13.899 -4.266 398 HB2 GLU 68 1HB GLU 68 -9.774 -13.637 -5.951 399 HB3 GLU 68 2HB GLU 68 -9.869 -12.497 -4.620 400 HG2 GLU 68 1HG GLU 68 -8.878 -10.771 -6.042 401 HG3 GLU 68 2HG GLU 68 -8.829 -11.919 -7.380 402 H LYS 69 H LYS 69 -6.128 -12.117 -6.575 403 HA LYS 69 HA LYS 69 -6.126 -14.229 -8.546 404 HB2 LYS 69 1HB LYS 69 -4.484 -11.700 -8.357 405 HB3 LYS 69 2HB LYS 69 -4.445 -12.812 -9.714 406 HG2 LYS 69 1HG LYS 69 -7.048 -11.620 -8.886 407 HG3 LYS 69 2HG LYS 69 -5.898 -10.645 -9.794 408 HD2 LYS 69 1HD LYS 69 -7.381 -11.622 -11.371 409 HD3 LYS 69 2HD LYS 69 -5.849 -12.477 -11.511 410 HE2 LYS 69 1HE LYS 69 -6.716 -14.342 -10.271 411 HE3 LYS 69 2HE LYS 69 -8.202 -13.468 -9.909 412 HZ1 LYS 69 1HZ LYS 69 -8.546 -15.030 -11.696 413 HZ2 LYS 69 2HZ LYS 69 -7.291 -14.343 -12.597 414 HZ3 LYS 69 3HZ LYS 69 -8.696 -13.455 -12.290 415 H ALA 70 H ALA 70 -4.141 -13.220 -5.876 416 HA ALA 70 HA ALA 70 -1.856 -14.784 -6.673 417 HB1 ALA 70 1HB ALA 70 -2.520 -13.349 -4.115 418 HB2 ALA 70 2HB ALA 70 -1.441 -12.805 -5.401 419 HB3 ALA 70 3HB ALA 70 -1.007 -14.199 -4.412 420 HA PRO 71 HA PRO 71 -3.481 -18.465 -4.717 421 HB2 PRO 71 1HB PRO 71 -1.632 -20.173 -5.669 422 HB3 PRO 71 2HB PRO 71 -2.929 -19.536 -6.686 423 HG2 PRO 71 1HG PRO 71 -0.057 -18.761 -6.570 424 HG3 PRO 71 2HG PRO 71 -1.146 -18.836 -7.965 425 HD2 PRO 71 1HD PRO 71 -0.438 -16.527 -6.576 426 HD3 PRO 71 2HD PRO 71 -1.829 -16.691 -7.663 427 H GLY 72 H GLY 72 -3.131 -18.272 -2.559 428 HA2 GLY 72 1HA GLY 72 -1.792 -19.659 -0.943 429 HA3 GLY 72 2HA GLY 72 -0.391 -18.831 -1.609 430 HA PRO 73 HA PRO 73 -1.637 -16.416 2.123 431 HB2 PRO 73 1HB PRO 73 1.259 -16.043 2.381 432 HB3 PRO 73 2HB PRO 73 0.111 -16.702 3.548 433 HG2 PRO 73 1HG PRO 73 1.943 -18.244 2.305 434 HG3 PRO 73 2HG PRO 73 0.342 -18.852 2.761 435 HD2 PRO 73 1HD PRO 73 1.334 -17.956 0.082 436 HD3 PRO 73 2HD PRO 73 0.302 -19.341 0.496 437 H VAL 74 H VAL 74 -2.280 -14.413 1.595 438 HA VAL 74 HA VAL 74 -0.408 -12.723 0.071 439 HB VAL 74 HB VAL 74 -3.393 -12.319 0.073 440 HG11 VAL 74 1HG1 VAL 74 -2.045 -10.419 -0.605 441 HG12 VAL 74 2HG1 VAL 74 -2.909 -11.076 -1.993 442 HG13 VAL 74 3HG1 VAL 74 -1.193 -11.415 -1.783 443 HG21 VAL 74 1HG2 VAL 74 -3.483 -13.467 -2.092 444 HG22 VAL 74 2HG2 VAL 74 -2.992 -14.560 -0.797 445 HG23 VAL 74 3HG2 VAL 74 -1.789 -13.924 -1.918 446 H LYS 75 H LYS 75 0.051 -10.743 0.842 447 HA LYS 75 HA LYS 75 -1.484 -9.669 3.090 448 HB2 LYS 75 1HB LYS 75 0.457 -11.028 3.953 449 HB3 LYS 75 2HB LYS 75 1.530 -9.921 3.112 450 HG2 LYS 75 1HG LYS 75 0.657 -8.074 4.478 451 HG3 LYS 75 2HG LYS 75 -0.350 -9.229 5.356 452 HD2 LYS 75 1HD LYS 75 1.697 -10.454 6.011 453 HD3 LYS 75 2HD LYS 75 2.663 -9.217 5.207 454 HE2 LYS 75 1HE LYS 75 2.608 -8.756 7.564 455 HE3 LYS 75 2HE LYS 75 1.672 -7.525 6.718 456 HZ1 LYS 75 1HZ LYS 75 0.567 -8.327 8.728 457 HZ2 LYS 75 2HZ LYS 75 0.522 -9.893 8.092 458 HZ3 LYS 75 3HZ LYS 75 -0.349 -8.653 7.343 459 H VAL 76 H VAL 76 -1.981 -7.609 2.541 460 HA VAL 76 HA VAL 76 -0.178 -6.249 0.650 461 HB VAL 76 HB VAL 76 -3.162 -5.842 0.795 462 HG11 VAL 76 1HG1 VAL 76 -2.838 -4.791 -1.409 463 HG12 VAL 76 2HG1 VAL 76 -1.097 -5.008 -1.234 464 HG13 VAL 76 3HG1 VAL 76 -1.972 -3.956 -0.121 465 HG21 VAL 76 1HG2 VAL 76 -2.761 -8.126 0.096 466 HG22 VAL 76 2HG2 VAL 76 -1.595 -7.580 -1.108 467 HG23 VAL 76 3HG2 VAL 76 -3.300 -7.164 -1.282 468 H LEU 77 H LEU 77 0.384 -4.196 1.024 469 HA LEU 77 HA LEU 77 -0.913 -2.753 3.246 470 HB2 LEU 77 1HB LEU 77 1.369 -3.439 3.842 471 HB3 LEU 77 2HB LEU 77 1.987 -2.684 2.388 472 HG LEU 77 HG LEU 77 1.229 -0.477 3.274 473 HD11 LEU 77 1HD1 LEU 77 -0.509 -1.239 4.782 474 HD12 LEU 77 2HD1 LEU 77 0.706 -0.313 5.663 475 HD13 LEU 77 3HD1 LEU 77 0.690 -2.072 5.772 476 HD21 LEU 77 1HD2 LEU 77 3.543 -1.200 3.504 477 HD22 LEU 77 2HD2 LEU 77 3.146 -2.024 5.013 478 HD23 LEU 77 3HD2 LEU 77 3.032 -0.267 4.911 479 H VAL 78 H VAL 78 -1.870 -0.903 2.608 480 HA VAL 78 HA VAL 78 -1.078 0.186 -0.005 481 HB VAL 78 HB VAL 78 -3.264 1.355 -0.031 482 HG11 VAL 78 1HG1 VAL 78 -4.630 -0.642 -0.476 483 HG12 VAL 78 2HG1 VAL 78 -3.399 -1.641 0.295 484 HG13 VAL 78 3HG1 VAL 78 -3.021 -0.760 -1.184 485 HG21 VAL 78 1HG2 VAL 78 -3.695 1.489 2.352 486 HG22 VAL 78 2HG2 VAL 78 -3.822 -0.267 2.451 487 HG23 VAL 78 3HG2 VAL 78 -5.019 0.653 1.540 488 H LEU 79 H LEU 79 -0.189 2.114 -0.151 489 HA LEU 79 HA LEU 79 0.050 3.698 2.321 490 HB2 LEU 79 1HB LEU 79 1.851 3.698 -0.105 491 HB3 LEU 79 2HB LEU 79 2.112 4.600 1.374 492 HG LEU 79 HG LEU 79 2.182 1.595 1.089 493 HD11 LEU 79 1HD1 LEU 79 4.557 1.836 1.582 494 HD12 LEU 79 2HD1 LEU 79 4.378 3.590 1.630 495 HD13 LEU 79 3HD1 LEU 79 4.120 2.719 0.119 496 HD21 LEU 79 1HD2 LEU 79 2.600 3.353 3.502 497 HD22 LEU 79 2HD2 LEU 79 2.984 1.633 3.428 498 HD23 LEU 79 3HD2 LEU 79 1.314 2.170 3.256 499 H ILE 80 H ILE 80 -1.618 5.119 2.200 500 HA ILE 80 HA ILE 80 -2.018 6.602 -0.285 501 HB ILE 80 HB ILE 80 -4.020 7.560 0.795 502 HG12 ILE 80 1HG1 ILE 80 -3.340 5.715 3.103 503 HG13 ILE 80 2HG1 ILE 80 -3.199 7.469 3.139 504 HG21 ILE 80 1HG2 ILE 80 -4.208 5.525 -0.517 505 HG22 ILE 80 2HG2 ILE 80 -5.348 5.504 0.829 506 HG23 ILE 80 3HG2 ILE 80 -3.866 4.551 0.914 507 HD11 ILE 80 1HD1 ILE 80 -5.610 7.666 2.813 508 HD12 ILE 80 2HD1 ILE 80 -5.219 6.725 4.253 509 HD13 ILE 80 3HD1 ILE 80 -5.747 5.908 2.781 510 H THR 81 H THR 81 -1.461 8.704 -0.540 511 HA THR 81 HA THR 81 0.253 9.782 1.554 512 HB THR 81 HB THR 81 0.964 9.654 -0.877 513 HG1 THR 81 HG1 THR 81 1.876 11.069 0.827 514 HG21 THR 81 1HG2 THR 81 -0.961 11.973 -1.083 515 HG22 THR 81 2HG2 THR 81 -1.029 10.455 -1.975 516 HG23 THR 81 3HG2 THR 81 0.276 11.600 -2.283 517 H GLY 82 H GLY 82 0.101 11.886 2.354 518 HA2 GLY 82 1HA GLY 82 -0.909 13.805 3.082 519 HA3 GLY 82 2HA GLY 82 -1.844 13.771 1.597 520 H SER 83 H SER 83 -3.733 14.433 2.539 521 HA SER 83 HA SER 83 -4.933 12.570 4.469 522 HB2 SER 83 1HB SER 83 -4.755 14.925 5.244 523 HB3 SER 83 2HB SER 83 -5.718 15.436 3.859 524 HG SER 83 HG SER 83 -7.406 14.993 5.004 525 H ALA 84 H ALA 84 -6.904 11.667 4.018 526 HA ALA 84 HA ALA 84 -7.683 11.538 1.265 527 HB1 ALA 84 1HB ALA 84 -7.840 9.579 2.726 528 HB2 ALA 84 2HB ALA 84 -9.414 10.002 2.053 529 HB3 ALA 84 3HB ALA 84 -9.028 10.417 3.723 530 H ASP 85 H ASP 85 -9.062 12.830 0.267 531 HA ASP 85 HA ASP 85 -10.210 15.108 1.396 532 HB2 ASP 85 1HB ASP 85 -11.008 13.587 -1.099 533 HB3 ASP 85 2HB ASP 85 -11.587 15.197 -0.694 534 HA PRO 86 HA PRO 86 -13.847 14.336 3.694 535 HB2 PRO 86 1HB PRO 86 -15.371 15.407 1.346 536 HB3 PRO 86 2HB PRO 86 -15.586 15.742 3.068 537 HG2 PRO 86 1HG PRO 86 -14.270 17.445 1.486 538 HG3 PRO 86 2HG PRO 86 -13.767 17.162 3.159 539 HD2 PRO 86 1HD PRO 86 -12.464 16.350 0.648 540 HD3 PRO 86 2HD PRO 86 -11.772 16.531 2.269 541 H ASP 87 H ASP 87 -14.568 13.657 0.255 542 HA ASP 87 HA ASP 87 -16.379 11.537 0.870 543 HB2 ASP 87 1HB ASP 87 -15.035 12.377 -1.699 544 HB3 ASP 87 2HB ASP 87 -16.148 11.016 -1.606 545 H GLU 88 H GLU 88 -13.041 11.676 -0.252 546 HA GLU 88 HA GLU 88 -12.663 8.916 -0.618 547 HB2 GLU 88 1HB GLU 88 -10.572 10.973 0.109 548 HB3 GLU 88 2HB GLU 88 -10.298 9.432 -0.689 549 HG2 GLU 88 1HG GLU 88 -11.869 11.728 -1.832 550 HG3 GLU 88 2HG GLU 88 -10.201 11.326 -2.237 551 H LYS 89 H LYS 89 -12.499 10.960 2.191 552 HA LYS 89 HA LYS 89 -10.978 9.299 3.873 553 HB2 LYS 89 1HB LYS 89 -11.424 11.676 4.325 554 HB3 LYS 89 2HB LYS 89 -13.119 11.304 4.606 555 HG2 LYS 89 1HG LYS 89 -12.535 9.962 6.534 556 HG3 LYS 89 2HG LYS 89 -10.819 10.241 6.233 557 HD2 LYS 89 1HD LYS 89 -11.142 12.635 6.584 558 HD3 LYS 89 2HD LYS 89 -12.864 12.368 6.867 559 HE2 LYS 89 1HE LYS 89 -10.628 11.203 8.522 560 HE3 LYS 89 2HE LYS 89 -11.576 12.623 8.956 561 HZ1 LYS 89 1HZ LYS 89 -12.642 9.876 8.574 562 HZ2 LYS 89 2HZ LYS 89 -13.560 11.237 8.980 563 HZ3 LYS 89 3HZ LYS 89 -12.400 10.648 10.061 564 H THR 90 H THR 90 -14.523 9.667 3.631 565 HA THR 90 HA THR 90 -15.001 7.501 5.437 566 HB THR 90 HB THR 90 -16.640 9.312 5.213 567 HG1 THR 90 HG1 THR 90 -17.233 6.651 4.965 568 HG21 THR 90 1HG2 THR 90 -17.136 8.229 2.438 569 HG22 THR 90 2HG2 THR 90 -16.381 9.776 2.821 570 HG23 THR 90 3HG2 THR 90 -18.071 9.492 3.240 571 H LYS 91 H LYS 91 -14.539 7.832 2.029 572 HA LYS 91 HA LYS 91 -15.613 5.340 1.212 573 HB2 LYS 91 1HB LYS 91 -15.177 7.205 -0.329 574 HB3 LYS 91 2HB LYS 91 -13.452 7.038 -0.045 575 HG2 LYS 91 1HG LYS 91 -13.559 4.761 -1.004 576 HG3 LYS 91 2HG LYS 91 -15.262 5.038 -1.381 577 HD2 LYS 91 1HD LYS 91 -12.942 6.675 -2.403 578 HD3 LYS 91 2HD LYS 91 -13.822 5.452 -3.322 579 HE2 LYS 91 1HE LYS 91 -15.852 6.756 -3.182 580 HE3 LYS 91 2HE LYS 91 -15.057 7.940 -2.147 581 HZ1 LYS 91 1HZ LYS 91 -14.204 7.337 -4.920 582 HZ2 LYS 91 2HZ LYS 91 -13.648 8.597 -3.926 583 HZ3 LYS 91 3HZ LYS 91 -15.237 8.608 -4.504 584 H ALA 92 H ALA 92 -12.294 6.411 1.933 585 HA ALA 92 HA ALA 92 -11.122 3.856 1.546 586 HB1 ALA 92 1HB ALA 92 -9.822 5.925 1.382 587 HB2 ALA 92 2HB ALA 92 -9.129 4.818 2.569 588 HB3 ALA 92 3HB ALA 92 -10.065 6.213 3.105 589 H LYS 93 H LYS 93 -12.821 5.328 4.144 590 HA LYS 93 HA LYS 93 -11.842 3.652 6.222 591 HB2 LYS 93 1HB LYS 93 -12.984 5.819 6.629 592 HB3 LYS 93 2HB LYS 93 -14.482 5.121 6.035 593 HG2 LYS 93 1HG LYS 93 -14.461 5.175 8.453 594 HG3 LYS 93 2HG LYS 93 -14.461 3.509 7.873 595 HD2 LYS 93 1HD LYS 93 -12.062 3.357 8.273 596 HD3 LYS 93 2HD LYS 93 -12.031 5.041 8.802 597 HE2 LYS 93 1HE LYS 93 -13.433 4.526 10.686 598 HE3 LYS 93 2HE LYS 93 -13.658 2.874 10.120 599 HZ1 LYS 93 1HZ LYS 93 -11.258 2.529 10.413 600 HZ2 LYS 93 2HZ LYS 93 -12.033 2.916 11.862 601 HZ3 LYS 93 3HZ LYS 93 -11.120 4.086 11.056 602 H LYS 94 H LYS 94 -14.744 3.606 4.185 603 HA LYS 94 HA LYS 94 -15.766 1.151 5.147 604 HB2 LYS 94 1HB LYS 94 -17.111 2.826 3.922 605 HB3 LYS 94 2HB LYS 94 -16.190 2.484 2.464 606 HG2 LYS 94 1HG LYS 94 -17.033 0.200 2.455 607 HG3 LYS 94 2HG LYS 94 -17.939 0.523 3.933 608 HD2 LYS 94 1HD LYS 94 -19.223 2.253 2.760 609 HD3 LYS 94 2HD LYS 94 -18.321 1.915 1.282 610 HE2 LYS 94 1HE LYS 94 -20.481 0.810 1.225 611 HE3 LYS 94 2HE LYS 94 -19.183 -0.381 1.292 612 HZ1 LYS 94 1HZ LYS 94 -19.586 -0.627 3.661 613 HZ2 LYS 94 2HZ LYS 94 -20.984 -0.965 2.779 614 HZ3 LYS 94 3HZ LYS 94 -20.834 0.509 3.594 615 H ALA 95 H ALA 95 -13.652 2.006 2.457 616 HA ALA 95 HA ALA 95 -13.416 -0.585 1.355 617 HB1 ALA 95 1HB ALA 95 -12.824 1.536 0.203 618 HB2 ALA 95 2HB ALA 95 -11.570 0.304 0.108 619 HB3 ALA 95 3HB ALA 95 -11.397 1.648 1.234 620 H ALA 96 H ALA 96 -11.716 1.086 3.937 621 HA ALA 96 HA ALA 96 -9.513 -0.638 4.187 622 HB1 ALA 96 1HB ALA 96 -9.642 1.592 5.226 623 HB2 ALA 96 2HB ALA 96 -9.181 0.333 6.372 624 HB3 ALA 96 3HB ALA 96 -10.826 0.967 6.372 625 H GLU 97 H GLU 97 -12.678 -0.677 5.814 626 HA GLU 97 HA GLU 97 -12.000 -2.949 7.403 627 HB2 GLU 97 1HB GLU 97 -14.431 -2.999 7.958 628 HB3 GLU 97 2HB GLU 97 -13.644 -1.464 8.279 629 HG2 GLU 97 1HG GLU 97 -14.547 -0.654 6.088 630 HG3 GLU 97 2HG GLU 97 -15.488 -2.144 6.009 631 H GLU 98 H GLU 98 -13.282 -2.502 4.227 632 HA GLU 98 HA GLU 98 -14.287 -5.145 3.886 633 HB2 GLU 98 1HB GLU 98 -14.860 -3.203 2.411 634 HB3 GLU 98 2HB GLU 98 -13.226 -3.268 1.767 635 HG2 GLU 98 1HG GLU 98 -14.659 -4.378 0.235 636 HG3 GLU 98 2HG GLU 98 -13.680 -5.604 1.039 637 H ALA 99 H ALA 99 -11.274 -3.560 2.846 638 HA ALA 99 HA ALA 99 -10.069 -5.967 1.941 639 HB1 ALA 99 1HB ALA 99 -9.485 -3.699 1.138 640 HB2 ALA 99 2HB ALA 99 -8.091 -4.661 1.620 641 HB3 ALA 99 3HB ALA 99 -8.700 -3.393 2.687 642 H ARG 100 H ARG 100 -10.547 -4.676 5.027 643 HA ARG 100 HA ARG 100 -8.295 -5.533 6.438 644 HB2 ARG 100 1HB ARG 100 -10.137 -4.053 7.288 645 HB3 ARG 100 2HB ARG 100 -11.140 -5.483 7.454 646 HG2 ARG 100 1HG ARG 100 -9.582 -6.404 9.083 647 HG3 ARG 100 2HG ARG 100 -8.543 -4.988 8.896 648 HD2 ARG 100 1HD ARG 100 -11.392 -4.975 9.890 649 HD3 ARG 100 2HD ARG 100 -9.951 -4.807 10.891 650 HE ARG 100 HE ARG 100 -9.601 -2.765 9.263 651 HH11 ARG 100 1HH1 ARG 100 -12.546 -3.824 10.846 652 HH12 ARG 100 2HH1 ARG 100 -13.232 -2.232 10.903 653 HH21 ARG 100 1HH2 ARG 100 -10.520 -0.673 9.339 654 HH22 ARG 100 2HH2 ARG 100 -12.096 -0.449 10.030 655 H LYS 101 H LYS 101 -10.974 -7.318 5.124 656 HA LYS 101 HA LYS 101 -10.714 -9.652 6.717 657 HB2 LYS 101 1HB LYS 101 -12.110 -8.957 4.196 658 HB3 LYS 101 2HB LYS 101 -11.770 -10.659 4.459 659 HG2 LYS 101 1HG LYS 101 -13.934 -10.304 5.289 660 HG3 LYS 101 2HG LYS 101 -12.897 -10.412 6.707 661 HD2 LYS 101 1HD LYS 101 -14.441 -8.615 7.041 662 HD3 LYS 101 2HD LYS 101 -12.841 -7.923 6.771 663 HE2 LYS 101 1HE LYS 101 -14.578 -6.692 5.566 664 HE3 LYS 101 2HE LYS 101 -13.417 -7.427 4.466 665 HZ1 LYS 101 1HZ LYS 101 -15.643 -7.711 3.642 666 HZ2 LYS 101 2HZ LYS 101 -16.133 -8.450 5.088 667 HZ3 LYS 101 3HZ LYS 101 -15.017 -9.224 4.084 668 H TRP 102 H TRP 102 -8.865 -8.427 4.078 669 HA TRP 102 HA TRP 102 -7.598 -11.063 3.722 670 HB2 TRP 102 1HB TRP 102 -7.851 -8.747 1.796 671 HB3 TRP 102 2HB TRP 102 -6.826 -10.153 1.504 672 HD1 TRP 102 HD1 TRP 102 -8.042 -12.460 0.931 673 HE1 TRP 102 HE1 TRP 102 -10.420 -12.998 0.109 674 HE3 TRP 102 HE3 TRP 102 -10.294 -7.995 1.981 675 HZ2 TRP 102 HZ2 TRP 102 -12.915 -11.699 -0.076 676 HZ3 TRP 102 HZ3 TRP 102 -12.680 -7.725 1.451 677 HH2 TRP 102 HH2 TRP 102 -13.964 -9.540 0.442 678 H ASN 103 H ASN 103 -7.046 -8.921 5.726 679 HA ASN 103 HA ASN 103 -5.258 -8.049 6.812 680 HB2 ASN 103 1HB ASN 103 -3.843 -10.060 5.073 681 HB3 ASN 103 2HB ASN 103 -2.978 -9.050 6.223 682 HD21 ASN 103 1HD2 ASN 103 -5.148 -9.087 8.176 683 HD22 ASN 103 2HD2 ASN 103 -5.114 -10.659 8.887 684 H VAL 104 H VAL 104 -6.229 -6.612 4.541 685 HA VAL 104 HA VAL 104 -3.806 -5.392 3.463 686 HB VAL 104 HB VAL 104 -6.677 -4.621 2.942 687 HG11 VAL 104 1HG1 VAL 104 -4.138 -3.944 1.465 688 HG12 VAL 104 2HG1 VAL 104 -5.085 -2.845 2.466 689 HG13 VAL 104 3HG1 VAL 104 -5.768 -3.486 0.971 690 HG21 VAL 104 1HG2 VAL 104 -6.375 -5.824 0.777 691 HG22 VAL 104 2HG2 VAL 104 -6.393 -6.878 2.191 692 HG23 VAL 104 3HG2 VAL 104 -4.865 -6.480 1.410 693 H ARG 105 H ARG 105 -2.829 -3.979 4.741 694 HA ARG 105 HA ARG 105 -4.386 -2.525 6.735 695 HB2 ARG 105 1HB ARG 105 -1.392 -2.647 6.344 696 HB3 ARG 105 2HB ARG 105 -2.222 -1.886 7.691 697 HG2 ARG 105 1HG ARG 105 -3.165 -4.124 8.270 698 HG3 ARG 105 2HG ARG 105 -2.120 -4.813 7.030 699 HD2 ARG 105 1HD ARG 105 -1.241 -3.273 9.465 700 HD3 ARG 105 2HD ARG 105 -1.088 -5.009 9.223 701 HE ARG 105 HE ARG 105 0.313 -4.099 7.161 702 HH11 ARG 105 1HH1 ARG 105 0.331 -3.106 10.520 703 HH12 ARG 105 2HH1 ARG 105 1.984 -2.571 10.490 704 HH21 ARG 105 1HH2 ARG 105 2.521 -3.396 7.139 705 HH22 ARG 105 2HH2 ARG 105 3.217 -2.740 8.591 706 H VAL 106 H VAL 106 -4.781 -0.406 6.672 707 HA VAL 106 HA VAL 106 -3.871 1.093 4.348 708 HB VAL 106 HB VAL 106 -5.441 2.869 5.174 709 HG11 VAL 106 1HG1 VAL 106 -6.631 0.131 4.742 710 HG12 VAL 106 2HG1 VAL 106 -6.125 1.255 3.481 711 HG13 VAL 106 3HG1 VAL 106 -7.475 1.667 4.540 712 HG21 VAL 106 1HG2 VAL 106 -6.204 0.750 7.185 713 HG22 VAL 106 2HG2 VAL 106 -7.087 2.246 6.890 714 HG23 VAL 106 3HG2 VAL 106 -5.450 2.304 7.542 715 H ARG 107 H ARG 107 -2.333 2.611 4.415 716 HA ARG 107 HA ARG 107 -1.456 3.619 7.031 717 HB2 ARG 107 1HB ARG 107 -0.097 1.618 6.118 718 HB3 ARG 107 2HB ARG 107 0.508 2.755 4.925 719 HG2 ARG 107 1HG ARG 107 2.132 2.743 6.581 720 HG3 ARG 107 2HG ARG 107 1.196 4.200 6.910 721 HD2 ARG 107 1HD ARG 107 0.704 1.565 8.280 722 HD3 ARG 107 2HD ARG 107 1.786 2.799 8.918 723 HE ARG 107 HE ARG 107 -0.441 4.206 8.643 724 HH11 ARG 107 1HH1 ARG 107 0.043 1.002 9.943 725 HH12 ARG 107 2HH1 ARG 107 -1.279 1.119 11.062 726 HH21 ARG 107 1HH2 ARG 107 -2.191 4.365 10.111 727 HH22 ARG 107 2HH2 ARG 107 -2.551 3.025 11.158 728 H THR 108 H THR 108 -0.205 5.611 6.866 729 HA THR 108 HA THR 108 -0.864 7.101 4.415 730 HB THR 108 HB THR 108 -0.625 8.213 7.218 731 HG1 THR 108 HG1 THR 108 -2.780 7.162 5.750 732 HG21 THR 108 1HG2 THR 108 -0.165 9.839 5.433 733 HG22 THR 108 2HG2 THR 108 -1.678 10.202 6.260 734 HG23 THR 108 3HG2 THR 108 -1.704 9.437 4.673 735 H VAL 109 H VAL 109 0.718 8.204 3.411 736 HA VAL 109 HA VAL 109 3.328 8.440 4.764 737 HB VAL 109 HB VAL 109 2.856 7.773 1.848 738 HG11 VAL 109 1HG1 VAL 109 4.756 9.281 2.114 739 HG12 VAL 109 2HG1 VAL 109 5.293 7.663 1.660 740 HG13 VAL 109 3HG1 VAL 109 5.450 8.207 3.330 741 HG21 VAL 109 1HG2 VAL 109 4.005 5.677 2.370 742 HG22 VAL 109 2HG2 VAL 109 2.542 5.862 3.336 743 HG23 VAL 109 3HG2 VAL 109 4.121 6.159 4.062 744 H THR 110 H THR 110 3.805 10.516 5.064 745 HA THR 110 HA THR 110 3.052 12.426 2.947 746 HB THR 110 HB THR 110 3.270 14.170 4.825 747 HG1 THR 110 HG1 THR 110 3.928 12.025 6.218 748 HG21 THR 110 1HG2 THR 110 1.135 13.575 3.813 749 HG22 THR 110 2HG2 THR 110 0.948 13.811 5.550 750 HG23 THR 110 3HG2 THR 110 0.999 12.179 4.882 751 H SER 111 H SER 111 5.586 10.835 4.389 752 HA SER 111 HA SER 111 7.521 12.580 3.137 753 HB2 SER 111 1HB SER 111 8.904 12.626 5.276 754 HB3 SER 111 2HB SER 111 7.466 13.647 5.268 755 HG SER 111 HG SER 111 6.449 11.625 6.247 756 HA PRO 112 HA PRO 112 9.564 8.879 1.927 757 HB2 PRO 112 1HB PRO 112 12.011 10.112 3.131 758 HB3 PRO 112 2HB PRO 112 11.802 9.345 1.552 759 HG2 PRO 112 1HG PRO 112 11.857 11.989 1.754 760 HG3 PRO 112 2HG PRO 112 10.721 11.192 0.650 761 HD2 PRO 112 1HD PRO 112 10.209 12.509 3.269 762 HD3 PRO 112 2HD PRO 112 9.161 12.378 1.844 763 H ASP 113 H ASP 113 10.648 10.062 5.099 764 HA ASP 113 HA ASP 113 11.764 7.781 6.151 765 HB2 ASP 113 1HB ASP 113 11.900 9.897 7.310 766 HB3 ASP 113 2HB ASP 113 10.159 9.914 7.569 767 H GLU 114 H GLU 114 8.355 8.687 6.132 768 HA GLU 114 HA GLU 114 7.431 6.636 7.815 769 HB2 GLU 114 1HB GLU 114 6.006 8.118 5.601 770 HB3 GLU 114 2HB GLU 114 5.216 7.108 6.806 771 HG2 GLU 114 1HG GLU 114 5.902 8.579 8.570 772 HG3 GLU 114 2HG GLU 114 6.869 9.536 7.448 773 H ALA 115 H ALA 115 7.423 6.852 4.257 774 HA ALA 115 HA ALA 115 6.359 4.337 3.726 775 HB1 ALA 115 1HB ALA 115 6.619 6.067 2.020 776 HB2 ALA 115 2HB ALA 115 7.358 4.551 1.504 777 HB3 ALA 115 3HB ALA 115 8.371 5.873 2.083 778 H LYS 116 H LYS 116 9.695 5.325 4.260 779 HA LYS 116 HA LYS 116 10.996 2.941 3.663 780 HB2 LYS 116 1HB LYS 116 12.214 4.991 4.001 781 HB3 LYS 116 2HB LYS 116 11.667 5.097 5.666 782 HG2 LYS 116 1HG LYS 116 12.968 3.127 6.240 783 HG3 LYS 116 2HG LYS 116 13.484 2.967 4.559 784 HD2 LYS 116 1HD LYS 116 14.646 5.074 4.662 785 HD3 LYS 116 2HD LYS 116 14.021 5.383 6.282 786 HE2 LYS 116 1HE LYS 116 16.341 4.619 6.348 787 HE3 LYS 116 2HE LYS 116 15.262 3.475 7.140 788 HZ1 LYS 116 1HZ LYS 116 15.333 2.076 5.196 789 HZ2 LYS 116 2HZ LYS 116 16.907 2.385 5.722 790 HZ3 LYS 116 3HZ LYS 116 16.298 3.197 4.374 791 H ARG 117 H ARG 117 9.619 4.030 6.770 792 HA ARG 117 HA ARG 117 10.542 1.650 8.096 793 HB2 ARG 117 1HB ARG 117 9.513 2.527 10.091 794 HB3 ARG 117 2HB ARG 117 10.405 3.806 9.286 795 HG2 ARG 117 1HG ARG 117 8.324 4.705 8.390 796 HG3 ARG 117 2HG ARG 117 7.424 3.408 9.178 797 HD2 ARG 117 1HD ARG 117 7.287 5.401 10.522 798 HD3 ARG 117 2HD ARG 117 8.265 4.199 11.361 799 HE ARG 117 HE ARG 117 9.355 6.547 9.931 800 HH11 ARG 117 1HH1 ARG 117 9.564 4.142 12.484 801 HH12 ARG 117 2HH1 ARG 117 10.972 4.856 13.198 802 HH21 ARG 117 1HH2 ARG 117 11.190 7.467 10.860 803 HH22 ARG 117 2HH2 ARG 117 11.908 6.742 12.271 804 H TRP 118 H TRP 118 7.576 2.680 6.557 805 HA TRP 118 HA TRP 118 5.914 0.691 7.734 806 HB2 TRP 118 1HB TRP 118 5.578 2.122 5.089 807 HB3 TRP 118 2HB TRP 118 4.345 1.157 5.885 808 HD1 TRP 118 HD1 TRP 118 4.327 4.389 5.143 809 HE1 TRP 118 HE1 TRP 118 3.627 6.018 7.007 810 HE3 TRP 118 HE3 TRP 118 5.148 1.388 9.222 811 HZ2 TRP 118 HZ2 TRP 118 3.452 6.033 9.815 812 HZ3 TRP 118 HZ3 TRP 118 4.686 2.297 11.452 813 HH2 TRP 118 HH2 TRP 118 3.855 4.572 11.743 814 H ILE 119 H ILE 119 7.848 0.827 4.787 815 HA ILE 119 HA ILE 119 7.113 -1.754 3.850 816 HB ILE 119 HB ILE 119 9.576 -0.094 3.270 817 HG12 ILE 119 1HG1 ILE 119 7.037 -0.526 1.678 818 HG13 ILE 119 2HG1 ILE 119 7.435 0.929 2.587 819 HG21 ILE 119 1HG2 ILE 119 9.893 -1.535 1.314 820 HG22 ILE 119 2HG2 ILE 119 8.553 -2.549 1.847 821 HG23 ILE 119 3HG2 ILE 119 10.020 -2.447 2.818 822 HD11 ILE 119 1HD1 ILE 119 7.836 1.225 0.211 823 HD12 ILE 119 2HD1 ILE 119 8.954 -0.138 0.219 824 HD13 ILE 119 3HD1 ILE 119 9.341 1.325 1.124 825 H LYS 120 H LYS 120 9.618 -0.537 5.980 826 HA LYS 120 HA LYS 120 11.224 -2.800 6.205 827 HB2 LYS 120 1HB LYS 120 11.876 -0.631 7.097 828 HB3 LYS 120 2HB LYS 120 10.572 -0.695 8.273 829 HG2 LYS 120 1HG LYS 120 11.629 -2.572 9.385 830 HG3 LYS 120 2HG LYS 120 12.909 -2.590 8.171 831 HD2 LYS 120 1HD LYS 120 13.587 -0.341 8.847 832 HD3 LYS 120 2HD LYS 120 12.300 -0.311 10.053 833 HE2 LYS 120 1HE LYS 120 14.550 -2.316 10.002 834 HE3 LYS 120 2HE LYS 120 14.546 -0.850 10.977 835 HZ1 LYS 120 1HZ LYS 120 12.487 -1.684 12.036 836 HZ2 LYS 120 2HZ LYS 120 13.835 -2.662 12.323 837 HZ3 LYS 120 3HZ LYS 120 12.675 -3.138 11.193 838 H GLU 121 H GLU 121 8.530 -1.811 8.343 839 HA GLU 121 HA GLU 121 8.624 -4.188 9.889 840 HB2 GLU 121 1HB GLU 121 6.453 -3.457 10.797 841 HB3 GLU 121 2HB GLU 121 7.646 -2.166 10.803 842 HG2 GLU 121 1HG GLU 121 6.618 -1.069 8.991 843 HG3 GLU 121 2HG GLU 121 5.617 -2.471 8.613 844 H PHE 122 H PHE 122 6.883 -3.260 7.000 845 HA PHE 122 HA PHE 122 4.985 -5.354 7.011 846 HB2 PHE 122 1HB PHE 122 4.783 -3.296 5.647 847 HB3 PHE 122 2HB PHE 122 6.125 -3.844 4.651 848 HD1 PHE 122 HD1 PHE 122 5.694 -5.055 2.741 849 HD2 PHE 122 HD2 PHE 122 2.760 -4.912 5.818 850 HE1 PHE 122 HE1 PHE 122 4.120 -6.265 1.292 851 HE2 PHE 122 HE2 PHE 122 1.181 -6.122 4.374 852 HZ PHE 122 HZ PHE 122 1.862 -6.802 2.109 853 H SER 123 H SER 123 8.216 -5.034 5.656 854 HA SER 123 HA SER 123 8.221 -7.610 4.421 855 HB2 SER 123 1HB SER 123 9.663 -5.818 3.599 856 HB3 SER 123 2HB SER 123 10.488 -5.740 5.154 857 HG SER 123 HG SER 123 10.401 -8.151 3.687 858 H GLU 124 H GLU 124 9.791 -6.268 7.328 859 HA GLU 124 HA GLU 124 10.755 -7.249 9.139 860 HB2 GLU 124 1HB GLU 124 8.316 -7.806 9.460 861 HB3 GLU 124 2HB GLU 124 8.643 -9.378 8.746 862 HG2 GLU 124 1HG GLU 124 10.208 -9.878 10.548 863 HG3 GLU 124 2HG GLU 124 9.895 -8.297 11.260 864 H GLU 125 H GLU 125 12.384 -7.641 7.252 865 HA GLU 125 HA GLU 125 13.253 -10.423 7.419 866 HB2 GLU 125 1HB GLU 125 11.944 -10.211 5.319 867 HB3 GLU 125 2HB GLU 125 13.014 -8.915 4.805 868 HG2 GLU 125 1HG GLU 125 14.907 -10.578 4.997 869 HG3 GLU 125 2HG GLU 125 13.667 -11.821 5.167 Start of MODEL 9 1 HA MET 21 HA MET 21 3.951 -15.747 1.423 2 HB2 MET 21 1HB MET 21 5.705 -15.635 3.160 3 HB3 MET 21 2HB MET 21 6.529 -14.386 2.240 4 HG2 MET 21 1HG MET 21 5.293 -13.411 4.067 5 HG3 MET 21 2HG MET 21 4.609 -12.906 2.523 6 HE1 MET 21 1HE MET 21 4.161 -16.369 4.385 7 HE2 MET 21 2HE MET 21 2.698 -16.047 5.314 8 HE3 MET 21 3HE MET 21 4.185 -15.174 5.680 9 H ARG 22 H ARG 22 2.755 -14.183 0.485 10 HA ARG 22 HA ARG 22 4.078 -12.571 -1.581 11 HB2 ARG 22 1HB ARG 22 1.211 -13.366 -1.144 12 HB3 ARG 22 2HB ARG 22 1.651 -12.075 -2.250 13 HG2 ARG 22 1HG ARG 22 2.651 -14.906 -2.441 14 HG3 ARG 22 2HG ARG 22 1.294 -14.250 -3.355 15 HD2 ARG 22 1HD ARG 22 3.158 -14.145 -4.802 16 HD3 ARG 22 2HD ARG 22 2.897 -12.500 -4.228 17 HE ARG 22 HE ARG 22 4.849 -14.111 -2.782 18 HH11 ARG 22 1HH1 ARG 22 4.258 -11.609 -5.170 19 HH12 ARG 22 2HH1 ARG 22 5.883 -11.002 -5.110 20 HH21 ARG 22 1HH2 ARG 22 6.977 -13.285 -2.694 21 HH22 ARG 22 2HH2 ARG 22 7.420 -11.949 -3.712 22 H LEU 23 H LEU 23 4.867 -10.779 -0.632 23 HA LEU 23 HA LEU 23 3.046 -9.194 1.026 24 HB2 LEU 23 1HB LEU 23 5.995 -8.830 0.498 25 HB3 LEU 23 2HB LEU 23 5.022 -7.794 1.523 26 HG LEU 23 HG LEU 23 4.527 -10.058 2.787 27 HD11 LEU 23 1HD1 LEU 23 7.217 -10.582 1.538 28 HD12 LEU 23 2HD1 LEU 23 5.728 -11.457 1.178 29 HD13 LEU 23 3HD1 LEU 23 6.440 -11.551 2.789 30 HD21 LEU 23 1HD2 LEU 23 5.604 -8.049 3.713 31 HD22 LEU 23 2HD2 LEU 23 7.148 -8.602 3.068 32 HD23 LEU 23 3HD2 LEU 23 6.325 -9.541 4.310 33 H VAL 24 H VAL 24 1.851 -7.784 0.015 34 HA VAL 24 HA VAL 24 2.848 -6.606 -2.501 35 HB VAL 24 HB VAL 24 -0.026 -7.144 -1.717 36 HG11 VAL 24 1HG1 VAL 24 -0.552 -6.537 -4.027 37 HG12 VAL 24 2HG1 VAL 24 1.147 -6.174 -4.325 38 HG13 VAL 24 3HG1 VAL 24 0.226 -5.202 -3.179 39 HG21 VAL 24 1HG2 VAL 24 1.731 -8.583 -3.707 40 HG22 VAL 24 2HG2 VAL 24 0.011 -8.880 -3.449 41 HG23 VAL 24 3HG2 VAL 24 1.169 -9.223 -2.163 42 H VAL 25 H VAL 25 2.851 -4.418 -2.648 43 HA VAL 25 HA VAL 25 1.323 -2.903 -0.638 44 HB VAL 25 HB VAL 25 4.105 -2.162 -1.577 45 HG11 VAL 25 1HG1 VAL 25 2.712 -0.239 -1.039 46 HG12 VAL 25 2HG1 VAL 25 3.984 -0.445 0.165 47 HG13 VAL 25 3HG1 VAL 25 2.332 -0.938 0.535 48 HG21 VAL 25 1HG2 VAL 25 4.830 -2.669 0.723 49 HG22 VAL 25 2HG2 VAL 25 4.242 -4.099 -0.125 50 HG23 VAL 25 3HG2 VAL 25 3.223 -3.303 1.073 51 H LEU 26 H LEU 26 -0.128 -1.669 -1.696 52 HA LEU 26 HA LEU 26 0.676 -0.587 -4.311 53 HB2 LEU 26 1HB LEU 26 -2.090 -0.819 -3.119 54 HB3 LEU 26 2HB LEU 26 -1.731 -0.017 -4.635 55 HG LEU 26 HG LEU 26 -0.686 -2.410 -5.198 56 HD11 LEU 26 1HD1 LEU 26 -2.129 -4.181 -4.315 57 HD12 LEU 26 2HD1 LEU 26 -2.904 -3.012 -3.251 58 HD13 LEU 26 3HD1 LEU 26 -1.196 -3.399 -3.039 59 HD21 LEU 26 1HD2 LEU 26 -3.614 -1.718 -5.344 60 HD22 LEU 26 2HD2 LEU 26 -2.787 -2.928 -6.324 61 HD23 LEU 26 3HD2 LEU 26 -2.371 -1.223 -6.492 62 H ILE 27 H ILE 27 1.355 1.408 -4.334 63 HA ILE 27 HA ILE 27 0.832 3.033 -1.942 64 HB ILE 27 HB ILE 27 3.222 2.312 -2.872 65 HG12 ILE 27 1HG1 ILE 27 3.027 3.527 -0.827 66 HG13 ILE 27 2HG1 ILE 27 4.232 4.328 -1.812 67 HG21 ILE 27 1HG2 ILE 27 2.706 4.859 -4.370 68 HG22 ILE 27 2HG2 ILE 27 3.062 3.270 -5.048 69 HG23 ILE 27 3HG2 ILE 27 4.294 4.133 -4.127 70 HD11 ILE 27 1HD1 ILE 27 1.394 5.234 -1.408 71 HD12 ILE 27 2HD1 ILE 27 2.598 6.036 -2.414 72 HD13 ILE 27 3HD1 ILE 27 2.836 5.934 -0.671 73 H VAL 28 H VAL 28 -0.471 4.729 -2.110 74 HA VAL 28 HA VAL 28 -1.023 5.898 -4.743 75 HB VAL 28 HB VAL 28 -2.223 6.646 -2.062 76 HG11 VAL 28 1HG1 VAL 28 -2.401 8.390 -3.755 77 HG12 VAL 28 2HG1 VAL 28 -3.981 7.693 -3.400 78 HG13 VAL 28 3HG1 VAL 28 -3.129 7.239 -4.876 79 HG21 VAL 28 1HG2 VAL 28 -4.162 5.315 -2.686 80 HG22 VAL 28 2HG2 VAL 28 -2.717 4.309 -2.603 81 HG23 VAL 28 3HG2 VAL 28 -3.354 4.810 -4.169 82 H SER 29 H SER 29 0.644 7.217 -5.301 83 HA SER 29 HA SER 29 1.943 8.680 -3.111 84 HB2 SER 29 1HB SER 29 3.275 6.804 -4.028 85 HB3 SER 29 2HB SER 29 3.231 7.574 -5.610 86 HG SER 29 HG SER 29 4.451 9.254 -4.829 87 H ASN 30 H ASN 30 2.370 10.730 -3.301 88 HA ASN 30 HA ASN 30 1.763 12.270 -5.652 89 HB2 ASN 30 1HB ASN 30 2.741 14.156 -4.362 90 HB3 ASN 30 2HB ASN 30 1.503 13.302 -3.448 91 HD21 ASN 30 1HD2 ASN 30 2.084 12.123 -1.644 92 HD22 ASN 30 2HD2 ASN 30 3.641 12.265 -0.907 93 H ASP 31 H ASP 31 3.863 13.954 -5.930 94 HA ASP 31 HA ASP 31 5.549 13.531 -7.721 95 HB2 ASP 31 1HB ASP 31 5.853 15.284 -5.950 96 HB3 ASP 31 2HB ASP 31 6.828 14.121 -5.059 97 H LYS 32 H LYS 32 6.917 12.169 -8.609 98 HA LYS 32 HA LYS 32 7.008 9.528 -7.730 99 HB2 LYS 32 1HB LYS 32 8.743 10.873 -9.798 100 HB3 LYS 32 2HB LYS 32 8.538 9.136 -9.613 101 HG2 LYS 32 1HG LYS 32 6.119 9.422 -10.064 102 HG3 LYS 32 2HG LYS 32 6.419 11.131 -10.375 103 HD2 LYS 32 1HD LYS 32 7.942 10.528 -12.194 104 HD3 LYS 32 2HD LYS 32 7.640 8.818 -11.879 105 HE2 LYS 32 1HE LYS 32 5.614 10.866 -12.771 106 HE3 LYS 32 2HE LYS 32 6.303 9.578 -13.755 107 HZ1 LYS 32 1HZ LYS 32 5.287 7.966 -12.229 108 HZ2 LYS 32 2HZ LYS 32 4.136 8.944 -12.984 109 HZ3 LYS 32 3HZ LYS 32 4.562 9.235 -11.375 110 H LYS 33 H LYS 33 9.060 12.096 -6.772 111 HA LYS 33 HA LYS 33 11.452 10.767 -6.186 112 HB2 LYS 33 1HB LYS 33 10.051 12.914 -4.575 113 HB3 LYS 33 2HB LYS 33 11.729 12.437 -4.374 114 HG2 LYS 33 1HG LYS 33 12.324 13.295 -6.495 115 HG3 LYS 33 2HG LYS 33 10.633 13.496 -6.960 116 HD2 LYS 33 1HD LYS 33 10.397 15.158 -5.117 117 HD3 LYS 33 2HD LYS 33 12.136 15.032 -4.844 118 HE2 LYS 33 1HE LYS 33 11.559 16.970 -6.234 119 HE3 LYS 33 2HE LYS 33 12.573 15.814 -7.095 120 HZ1 LYS 33 1HZ LYS 33 10.732 16.662 -8.449 121 HZ2 LYS 33 2HZ LYS 33 9.614 15.997 -7.361 122 HZ3 LYS 33 3HZ LYS 33 10.648 14.987 -8.242 123 H LEU 34 H LEU 34 8.347 10.705 -4.597 124 HA LEU 34 HA LEU 34 9.265 9.328 -2.253 125 HB2 LEU 34 1HB LEU 34 7.247 10.767 -2.298 126 HB3 LEU 34 2HB LEU 34 6.471 9.608 -3.362 127 HG LEU 34 HG LEU 34 6.773 7.897 -1.515 128 HD11 LEU 34 1HD1 LEU 34 8.482 9.040 -0.244 129 HD12 LEU 34 2HD1 LEU 34 7.046 8.783 0.746 130 HD13 LEU 34 3HD1 LEU 34 7.380 10.379 0.072 131 HD21 LEU 34 1HD2 LEU 34 5.042 10.300 -0.967 132 HD22 LEU 34 2HD2 LEU 34 4.828 8.689 -0.281 133 HD23 LEU 34 3HD2 LEU 34 4.632 8.943 -2.016 134 H ILE 35 H ILE 35 7.575 8.437 -5.225 135 HA ILE 35 HA ILE 35 7.063 5.749 -4.721 136 HB ILE 35 HB ILE 35 7.835 6.949 -7.395 137 HG12 ILE 35 1HG1 ILE 35 5.092 6.665 -6.151 138 HG13 ILE 35 2HG1 ILE 35 5.987 8.176 -6.281 139 HG21 ILE 35 1HG2 ILE 35 6.493 5.126 -8.341 140 HG22 ILE 35 2HG2 ILE 35 6.224 4.489 -6.719 141 HG23 ILE 35 3HG2 ILE 35 7.853 4.516 -7.396 142 HD11 ILE 35 1HD1 ILE 35 4.301 8.003 -8.015 143 HD12 ILE 35 2HD1 ILE 35 5.016 6.492 -8.580 144 HD13 ILE 35 3HD1 ILE 35 5.919 7.999 -8.714 145 H GLU 36 H GLU 36 9.910 7.280 -6.192 146 HA GLU 36 HA GLU 36 11.377 5.046 -6.878 147 HB2 GLU 36 1HB GLU 36 12.302 7.732 -5.864 148 HB3 GLU 36 2HB GLU 36 13.396 6.513 -6.498 149 HG2 GLU 36 1HG GLU 36 11.116 7.716 -8.046 150 HG3 GLU 36 2HG GLU 36 12.793 8.255 -8.138 151 H GLU 37 H GLU 37 11.774 6.910 -3.869 152 HA GLU 37 HA GLU 37 13.665 5.238 -2.691 153 HB2 GLU 37 1HB GLU 37 13.100 7.544 -1.950 154 HB3 GLU 37 2HB GLU 37 11.586 6.942 -1.297 155 HG2 GLU 37 1HG GLU 37 13.175 7.229 0.477 156 HG3 GLU 37 2HG GLU 37 12.849 5.511 0.254 157 H ALA 38 H ALA 38 10.134 5.173 -2.457 158 HA ALA 38 HA ALA 38 10.004 3.145 -0.484 159 HB1 ALA 38 1HB ALA 38 7.929 3.973 -2.511 160 HB2 ALA 38 2HB ALA 38 8.155 4.688 -0.914 161 HB3 ALA 38 3HB ALA 38 7.637 3.009 -1.064 162 H ARG 39 H ARG 39 9.824 3.088 -4.022 163 HA ARG 39 HA ARG 39 9.215 0.307 -4.176 164 HB2 ARG 39 1HB ARG 39 8.677 2.054 -5.918 165 HB3 ARG 39 2HB ARG 39 10.380 2.043 -6.356 166 HG2 ARG 39 1HG ARG 39 10.246 -0.263 -7.019 167 HG3 ARG 39 2HG ARG 39 8.581 -0.369 -6.444 168 HD2 ARG 39 1HD ARG 39 7.978 1.399 -8.098 169 HD3 ARG 39 2HD ARG 39 9.618 1.292 -8.736 170 HE ARG 39 HE ARG 39 8.826 -1.252 -8.882 171 HH11 ARG 39 1HH1 ARG 39 7.247 1.706 -9.904 172 HH12 ARG 39 2HH1 ARG 39 6.331 0.929 -11.154 173 HH21 ARG 39 1HH2 ARG 39 7.640 -2.265 -10.528 174 HH22 ARG 39 2HH2 ARG 39 6.552 -1.333 -11.507 175 H LYS 40 H LYS 40 12.163 2.188 -4.197 176 HA LYS 40 HA LYS 40 13.994 0.309 -5.132 177 HB2 LYS 40 1HB LYS 40 14.268 2.493 -3.071 178 HB3 LYS 40 2HB LYS 40 15.631 1.535 -3.607 179 HG2 LYS 40 1HG LYS 40 13.912 3.238 -5.393 180 HG3 LYS 40 2HG LYS 40 15.487 3.697 -4.748 181 HD2 LYS 40 1HD LYS 40 16.508 1.793 -5.920 182 HD3 LYS 40 2HD LYS 40 14.929 1.371 -6.586 183 HE2 LYS 40 1HE LYS 40 16.340 3.999 -7.030 184 HE3 LYS 40 2HE LYS 40 16.351 2.648 -8.164 185 HZ1 LYS 40 1HZ LYS 40 13.886 4.012 -7.235 186 HZ2 LYS 40 2HZ LYS 40 14.006 2.850 -8.456 187 HZ3 LYS 40 3HZ LYS 40 14.682 4.384 -8.678 188 H MET 41 H MET 41 12.916 0.889 -1.792 189 HA MET 41 HA MET 41 14.491 -1.266 -0.772 190 HB2 MET 41 1HB MET 41 12.458 0.583 0.406 191 HB3 MET 41 2HB MET 41 12.951 -0.849 1.299 192 HG2 MET 41 1HG MET 41 14.808 1.287 0.280 193 HG3 MET 41 2HG MET 41 14.225 1.140 1.938 194 HE1 MET 41 1HE MET 41 16.883 1.249 2.598 195 HE2 MET 41 2HE MET 41 17.343 1.228 0.896 196 HE3 MET 41 3HE MET 41 18.059 0.072 2.016 197 H ALA 42 H ALA 42 11.176 -0.888 -1.818 198 HA ALA 42 HA ALA 42 10.126 -3.261 -0.752 199 HB1 ALA 42 1HB ALA 42 8.731 -1.486 -1.688 200 HB2 ALA 42 2HB ALA 42 8.374 -3.046 -2.425 201 HB3 ALA 42 3HB ALA 42 9.339 -1.859 -3.301 202 H GLU 43 H GLU 43 11.565 -2.616 -3.950 203 HA GLU 43 HA GLU 43 11.358 -5.297 -4.852 204 HB2 GLU 43 1HB GLU 43 11.642 -3.391 -6.385 205 HB3 GLU 43 2HB GLU 43 13.253 -3.112 -5.739 206 HG2 GLU 43 1HG GLU 43 13.923 -5.349 -6.539 207 HG3 GLU 43 2HG GLU 43 12.326 -5.535 -7.264 208 H LYS 44 H LYS 44 13.819 -3.500 -3.115 209 HA LYS 44 HA LYS 44 15.906 -5.383 -3.372 210 HB2 LYS 44 1HB LYS 44 16.249 -3.018 -2.754 211 HB3 LYS 44 2HB LYS 44 15.460 -3.314 -1.212 212 HG2 LYS 44 1HG LYS 44 17.225 -4.820 -0.556 213 HG3 LYS 44 2HG LYS 44 17.993 -4.653 -2.134 214 HD2 LYS 44 1HD LYS 44 18.343 -2.266 -1.701 215 HD3 LYS 44 2HD LYS 44 17.581 -2.443 -0.119 216 HE2 LYS 44 1HE LYS 44 20.079 -3.874 -1.023 217 HE3 LYS 44 2HE LYS 44 20.042 -2.446 0.010 218 HZ1 LYS 44 1HZ LYS 44 18.854 -3.694 1.675 219 HZ2 LYS 44 2HZ LYS 44 20.278 -4.510 1.275 220 HZ3 LYS 44 3HZ LYS 44 18.798 -5.059 0.676 221 H ALA 45 H ALA 45 13.212 -5.125 -1.156 222 HA ALA 45 HA ALA 45 14.309 -7.250 0.531 223 HB1 ALA 45 1HB ALA 45 13.379 -5.309 1.665 224 HB2 ALA 45 2HB ALA 45 12.446 -6.759 2.037 225 HB3 ALA 45 3HB ALA 45 11.824 -5.581 0.880 226 H ASN 46 H ASN 46 12.949 -7.322 -2.283 227 HA ASN 46 HA ASN 46 11.750 -8.787 -3.514 228 HB2 ASN 46 1HB ASN 46 13.211 -10.418 -2.259 229 HB3 ASN 46 2HB ASN 46 11.888 -10.638 -1.124 230 HD21 ASN 46 1HD2 ASN 46 10.208 -11.945 -1.664 231 HD22 ASN 46 2HD2 ASN 46 10.117 -12.843 -3.140 232 H LEU 47 H LEU 47 10.262 -6.854 -2.496 233 HA LEU 47 HA LEU 47 7.752 -8.207 -1.727 234 HB2 LEU 47 1HB LEU 47 8.326 -5.259 -1.475 235 HB3 LEU 47 2HB LEU 47 6.994 -6.153 -0.775 236 HG LEU 47 HG LEU 47 9.888 -6.306 0.061 237 HD11 LEU 47 1HD1 LEU 47 8.775 -4.266 0.757 238 HD12 LEU 47 2HD1 LEU 47 9.048 -5.322 2.142 239 HD13 LEU 47 3HD1 LEU 47 7.440 -5.202 1.429 240 HD21 LEU 47 1HD2 LEU 47 8.783 -8.486 0.270 241 HD22 LEU 47 2HD2 LEU 47 7.490 -7.734 1.204 242 HD23 LEU 47 3HD2 LEU 47 9.132 -7.774 1.845 243 H GLU 48 H GLU 48 5.808 -7.427 -2.799 244 HA GLU 48 HA GLU 48 6.402 -6.443 -5.496 245 HB2 GLU 48 1HB GLU 48 5.169 -8.572 -5.350 246 HB3 GLU 48 2HB GLU 48 3.896 -7.766 -4.440 247 HG2 GLU 48 1HG GLU 48 3.189 -7.997 -6.709 248 HG3 GLU 48 2HG GLU 48 3.497 -6.293 -6.385 249 H LEU 49 H LEU 49 6.426 -4.256 -5.392 250 HA LEU 49 HA LEU 49 4.151 -2.957 -4.065 251 HB2 LEU 49 1HB LEU 49 6.424 -2.395 -3.207 252 HB3 LEU 49 2HB LEU 49 6.816 -1.734 -4.781 253 HG LEU 49 HG LEU 49 4.422 -0.642 -3.378 254 HD11 LEU 49 1HD1 LEU 49 5.822 0.933 -2.135 255 HD12 LEU 49 2HD1 LEU 49 7.263 0.062 -2.657 256 HD13 LEU 49 3HD1 LEU 49 6.086 -0.728 -1.607 257 HD21 LEU 49 1HD2 LEU 49 6.606 0.595 -5.052 258 HD22 LEU 49 2HD2 LEU 49 5.177 1.426 -4.438 259 HD23 LEU 49 3HD2 LEU 49 5.002 0.131 -5.620 260 H ILE 50 H ILE 50 2.733 -1.927 -5.223 261 HA ILE 50 HA ILE 50 3.372 -1.258 -8.020 262 HB ILE 50 HB ILE 50 0.710 -2.197 -6.926 263 HG12 ILE 50 1HG1 ILE 50 2.658 -3.578 -8.789 264 HG13 ILE 50 2HG1 ILE 50 2.361 -4.018 -7.110 265 HG21 ILE 50 1HG2 ILE 50 -0.108 -2.070 -9.169 266 HG22 ILE 50 2HG2 ILE 50 1.490 -1.644 -9.778 267 HG23 ILE 50 3HG2 ILE 50 0.611 -0.513 -8.751 268 HD11 ILE 50 1HD1 ILE 50 1.208 -5.515 -8.621 269 HD12 ILE 50 2HD1 ILE 50 0.371 -4.152 -9.361 270 HD13 ILE 50 3HD1 ILE 50 0.049 -4.577 -7.681 271 H THR 51 H THR 51 2.790 0.766 -8.692 272 HA THR 51 HA THR 51 1.600 2.518 -6.647 273 HB THR 51 HB THR 51 3.325 3.318 -8.998 274 HG1 THR 51 HG1 THR 51 4.089 2.068 -6.857 275 HG21 THR 51 1HG2 THR 51 1.956 5.150 -8.293 276 HG22 THR 51 2HG2 THR 51 3.573 5.425 -7.649 277 HG23 THR 51 3HG2 THR 51 2.294 4.824 -6.596 278 H VAL 52 H VAL 52 -0.575 2.481 -7.109 279 HA VAL 52 HA VAL 52 -1.316 3.408 -9.814 280 HB VAL 52 HB VAL 52 -2.896 1.500 -8.071 281 HG11 VAL 52 1HG1 VAL 52 -4.391 1.276 -9.980 282 HG12 VAL 52 2HG1 VAL 52 -3.463 2.495 -10.855 283 HG13 VAL 52 3HG1 VAL 52 -4.339 2.937 -9.390 284 HG21 VAL 52 1HG2 VAL 52 -2.460 -0.139 -9.880 285 HG22 VAL 52 2HG2 VAL 52 -1.019 0.347 -8.992 286 HG23 VAL 52 3HG2 VAL 52 -1.331 1.012 -10.594 287 HA PRO 53 HA PRO 53 -3.374 6.340 -6.982 288 HB2 PRO 53 1HB PRO 53 -2.141 8.592 -7.732 289 HB3 PRO 53 2HB PRO 53 -1.418 7.491 -6.557 290 HG2 PRO 53 1HG PRO 53 -0.724 7.940 -9.403 291 HG3 PRO 53 2HG PRO 53 0.316 7.451 -8.057 292 HD2 PRO 53 1HD PRO 53 -0.852 5.775 -10.033 293 HD3 PRO 53 2HD PRO 53 0.043 5.268 -8.590 294 H GLY 54 H GLY 54 -5.351 6.051 -8.233 295 HA2 GLY 54 1HA GLY 54 -5.574 8.389 -10.044 296 HA3 GLY 54 2HA GLY 54 -6.582 6.952 -10.234 297 H SER 55 H SER 55 -7.589 6.316 -7.994 298 HA SER 55 HA SER 55 -8.075 8.672 -6.315 299 HB2 SER 55 1HB SER 55 -9.767 6.177 -6.636 300 HB3 SER 55 2HB SER 55 -10.033 7.403 -5.395 301 HG SER 55 HG SER 55 -10.070 7.850 -8.206 302 HA PRO 56 HA PRO 56 -5.835 6.427 -3.077 303 HB2 PRO 56 1HB PRO 56 -8.194 7.090 -1.367 304 HB3 PRO 56 2HB PRO 56 -6.470 7.312 -1.039 305 HG2 PRO 56 1HG PRO 56 -7.943 9.406 -1.680 306 HG3 PRO 56 2HG PRO 56 -6.327 9.218 -2.377 307 HD2 PRO 56 1HD PRO 56 -8.998 8.685 -3.627 308 HD3 PRO 56 2HD PRO 56 -7.556 9.449 -4.333 309 H GLU 57 H GLU 57 -9.333 6.076 -3.351 310 HA GLU 57 HA GLU 57 -9.601 3.536 -2.178 311 HB2 GLU 57 1HB GLU 57 -11.486 5.052 -2.487 312 HB3 GLU 57 2HB GLU 57 -11.321 4.937 -4.233 313 HG2 GLU 57 1HG GLU 57 -11.749 2.447 -3.950 314 HG3 GLU 57 2HG GLU 57 -12.260 2.840 -2.308 315 H GLU 58 H GLU 58 -8.668 4.515 -5.395 316 HA GLU 58 HA GLU 58 -9.441 2.239 -6.831 317 HB2 GLU 58 1HB GLU 58 -8.763 4.393 -7.856 318 HB3 GLU 58 2HB GLU 58 -7.099 4.064 -7.395 319 HG2 GLU 58 1HG GLU 58 -7.009 2.164 -8.857 320 HG3 GLU 58 2HG GLU 58 -8.728 2.316 -9.222 321 H ALA 59 H ALA 59 -6.389 3.021 -5.216 322 HA ALA 59 HA ALA 59 -5.088 0.598 -5.926 323 HB1 ALA 59 1HB ALA 59 -4.501 2.491 -3.649 324 HB2 ALA 59 2HB ALA 59 -3.849 2.605 -5.284 325 HB3 ALA 59 3HB ALA 59 -3.423 1.235 -4.259 326 H ILE 60 H ILE 60 -7.102 1.606 -3.227 327 HA ILE 60 HA ILE 60 -6.568 -0.570 -1.506 328 HB ILE 60 HB ILE 60 -9.241 0.817 -1.618 329 HG12 ILE 60 1HG1 ILE 60 -7.533 2.581 -1.680 330 HG13 ILE 60 2HG1 ILE 60 -8.361 2.553 -0.128 331 HG21 ILE 60 1HG2 ILE 60 -7.626 -0.342 0.651 332 HG22 ILE 60 2HG2 ILE 60 -9.037 -1.079 -0.109 333 HG23 ILE 60 3HG2 ILE 60 -9.209 0.422 0.801 334 HD11 ILE 60 1HD1 ILE 60 -5.981 2.933 0.133 335 HD12 ILE 60 2HD1 ILE 60 -5.638 1.410 -0.691 336 HD13 ILE 60 3HD1 ILE 60 -6.464 1.404 0.867 337 H ARG 61 H ARG 61 -8.973 -0.047 -4.045 338 HA ARG 61 HA ARG 61 -10.329 -2.515 -3.547 339 HB2 ARG 61 1HB ARG 61 -11.354 -0.468 -4.619 340 HB3 ARG 61 2HB ARG 61 -10.450 -0.868 -6.075 341 HG2 ARG 61 1HG ARG 61 -11.599 -3.009 -6.216 342 HG3 ARG 61 2HG ARG 61 -12.488 -2.637 -4.738 343 HD2 ARG 61 1HD ARG 61 -13.515 -0.711 -5.845 344 HD3 ARG 61 2HD ARG 61 -12.627 -1.085 -7.323 345 HE ARG 61 HE ARG 61 -13.934 -3.373 -6.905 346 HH11 ARG 61 1HH1 ARG 61 -15.065 -0.064 -6.827 347 HH12 ARG 61 2HH1 ARG 61 -16.679 -0.474 -7.311 348 HH21 ARG 61 1HH2 ARG 61 -16.052 -3.916 -7.542 349 HH22 ARG 61 2HH2 ARG 61 -17.240 -2.663 -7.721 350 H LEU 62 H LEU 62 -7.684 -1.497 -5.600 351 HA LEU 62 HA LEU 62 -7.645 -3.873 -7.189 352 HB2 LEU 62 1HB LEU 62 -6.646 -1.740 -7.940 353 HB3 LEU 62 2HB LEU 62 -5.435 -1.881 -6.680 354 HG LEU 62 HG LEU 62 -4.547 -3.909 -7.740 355 HD11 LEU 62 1HD1 LEU 62 -6.628 -3.383 -9.858 356 HD12 LEU 62 2HD1 LEU 62 -6.584 -4.758 -8.753 357 HD13 LEU 62 3HD1 LEU 62 -5.325 -4.565 -9.972 358 HD21 LEU 62 1HD2 LEU 62 -4.821 -1.585 -9.640 359 HD22 LEU 62 2HD2 LEU 62 -3.598 -2.852 -9.725 360 HD23 LEU 62 3HD2 LEU 62 -3.622 -1.740 -8.358 361 H ALA 63 H ALA 63 -6.227 -2.877 -4.160 362 HA ALA 63 HA ALA 63 -4.391 -4.927 -3.731 363 HB1 ALA 63 1HB ALA 63 -6.198 -3.600 -1.710 364 HB2 ALA 63 2HB ALA 63 -4.632 -2.996 -2.247 365 HB3 ALA 63 3HB ALA 63 -4.732 -4.507 -1.345 366 H GLN 64 H GLN 64 -7.872 -4.841 -3.328 367 HA GLN 64 HA GLN 64 -8.229 -7.301 -2.018 368 HB2 GLN 64 1HB GLN 64 -10.114 -5.895 -3.919 369 HB3 GLN 64 2HB GLN 64 -10.558 -7.120 -2.738 370 HG2 GLN 64 1HG GLN 64 -9.995 -5.657 -0.926 371 HG3 GLN 64 2HG GLN 64 -9.356 -4.453 -2.042 372 HE21 GLN 64 1HE2 GLN 64 -10.754 -2.878 -1.299 373 HE22 GLN 64 2HE2 GLN 64 -12.445 -2.884 -1.673 374 H GLU 65 H GLU 65 -8.057 -6.430 -5.423 375 HA GLU 65 HA GLU 65 -8.759 -8.994 -6.429 376 HB2 GLU 65 1HB GLU 65 -7.268 -6.707 -7.731 377 HB3 GLU 65 2HB GLU 65 -7.858 -8.133 -8.576 378 HG2 GLU 65 1HG GLU 65 -9.561 -6.126 -7.117 379 HG3 GLU 65 2HG GLU 65 -9.342 -6.220 -8.862 380 H ILE 66 H ILE 66 -5.640 -7.333 -5.970 381 HA ILE 66 HA ILE 66 -4.054 -9.394 -7.029 382 HB ILE 66 HB ILE 66 -3.308 -7.349 -4.932 383 HG12 ILE 66 1HG1 ILE 66 -2.959 -7.317 -7.940 384 HG13 ILE 66 2HG1 ILE 66 -4.173 -6.398 -7.053 385 HG21 ILE 66 1HG2 ILE 66 -0.997 -7.745 -5.680 386 HG22 ILE 66 2HG2 ILE 66 -1.569 -9.045 -6.724 387 HG23 ILE 66 3HG2 ILE 66 -1.720 -9.189 -4.973 388 HD11 ILE 66 1HD1 ILE 66 -1.196 -6.084 -6.765 389 HD12 ILE 66 2HD1 ILE 66 -2.435 -5.128 -5.952 390 HD13 ILE 66 3HD1 ILE 66 -2.258 -5.032 -7.704 391 H ALA 67 H ALA 67 -5.235 -8.821 -3.744 392 HA ALA 67 HA ALA 67 -3.761 -10.897 -2.505 393 HB1 ALA 67 1HB ALA 67 -5.302 -10.630 -0.639 394 HB2 ALA 67 2HB ALA 67 -6.380 -9.672 -1.654 395 HB3 ALA 67 3HB ALA 67 -4.776 -9.061 -1.249 396 H GLU 68 H GLU 68 -6.900 -10.798 -4.078 397 HA GLU 68 HA GLU 68 -7.683 -13.442 -3.360 398 HB2 GLU 68 1HB GLU 68 -9.396 -11.891 -3.968 399 HB3 GLU 68 2HB GLU 68 -8.606 -11.516 -5.491 400 HG2 GLU 68 1HG GLU 68 -10.453 -12.873 -6.017 401 HG3 GLU 68 2HG GLU 68 -9.030 -13.896 -6.174 402 H LYS 69 H LYS 69 -6.174 -11.992 -6.204 403 HA LYS 69 HA LYS 69 -6.310 -14.417 -7.722 404 HB2 LYS 69 1HB LYS 69 -4.818 -11.854 -8.284 405 HB3 LYS 69 2HB LYS 69 -5.119 -13.144 -9.440 406 HG2 LYS 69 1HG LYS 69 -7.257 -11.518 -8.076 407 HG3 LYS 69 2HG LYS 69 -6.652 -11.224 -9.703 408 HD2 LYS 69 1HD LYS 69 -7.955 -13.787 -8.785 409 HD3 LYS 69 2HD LYS 69 -8.782 -12.492 -9.653 410 HE2 LYS 69 1HE LYS 69 -6.413 -14.052 -10.679 411 HE3 LYS 69 2HE LYS 69 -8.091 -14.326 -11.138 412 HZ1 LYS 69 1HZ LYS 69 -8.151 -12.042 -11.999 413 HZ2 LYS 69 2HZ LYS 69 -7.006 -12.996 -12.790 414 HZ3 LYS 69 3HZ LYS 69 -6.509 -11.867 -11.637 415 H ALA 70 H ALA 70 -4.056 -13.129 -5.479 416 HA ALA 70 HA ALA 70 -1.813 -14.656 -6.481 417 HB1 ALA 70 1HB ALA 70 -0.654 -13.915 -4.474 418 HB2 ALA 70 2HB ALA 70 -2.158 -13.262 -3.830 419 HB3 ALA 70 3HB ALA 70 -1.435 -12.549 -5.273 420 HA PRO 71 HA PRO 71 -3.276 -18.271 -4.277 421 HB2 PRO 71 1HB PRO 71 -1.527 -20.026 -5.323 422 HB3 PRO 71 2HB PRO 71 -2.895 -19.403 -6.250 423 HG2 PRO 71 1HG PRO 71 -0.016 -18.633 -6.369 424 HG3 PRO 71 2HG PRO 71 -1.194 -18.779 -7.683 425 HD2 PRO 71 1HD PRO 71 -0.419 -16.399 -6.493 426 HD3 PRO 71 2HD PRO 71 -1.918 -16.637 -7.410 427 H GLY 72 H GLY 72 -2.747 -17.998 -2.161 428 HA2 GLY 72 1HA GLY 72 -1.197 -19.437 -0.696 429 HA3 GLY 72 2HA GLY 72 0.060 -18.419 -1.382 430 HA PRO 73 HA PRO 73 -1.480 -16.309 2.465 431 HB2 PRO 73 1HB PRO 73 0.953 -15.981 3.611 432 HB3 PRO 73 2HB PRO 73 -0.020 -17.435 3.849 433 HG2 PRO 73 1HG PRO 73 2.297 -16.982 2.015 434 HG3 PRO 73 2HG PRO 73 1.919 -18.399 3.012 435 HD2 PRO 73 1HD PRO 73 1.416 -18.274 0.339 436 HD3 PRO 73 2HD PRO 73 0.449 -19.246 1.465 437 H VAL 74 H VAL 74 -1.896 -14.245 2.004 438 HA VAL 74 HA VAL 74 0.207 -12.665 0.679 439 HB VAL 74 HB VAL 74 -2.756 -12.168 0.387 440 HG11 VAL 74 1HG1 VAL 74 -0.370 -11.222 -1.198 441 HG12 VAL 74 2HG1 VAL 74 -1.319 -10.258 -0.067 442 HG13 VAL 74 3HG1 VAL 74 -2.054 -10.847 -1.556 443 HG21 VAL 74 1HG2 VAL 74 -2.641 -13.245 -1.795 444 HG22 VAL 74 2HG2 VAL 74 -2.236 -14.386 -0.513 445 HG23 VAL 74 3HG2 VAL 74 -0.958 -13.684 -1.504 446 H LYS 75 H LYS 75 0.731 -10.750 1.516 447 HA LYS 75 HA LYS 75 -0.974 -9.581 3.618 448 HB2 LYS 75 1HB LYS 75 2.051 -9.486 3.549 449 HB3 LYS 75 2HB LYS 75 1.009 -8.840 4.805 450 HG2 LYS 75 1HG LYS 75 0.298 -11.131 5.358 451 HG3 LYS 75 2HG LYS 75 1.420 -11.745 4.140 452 HD2 LYS 75 1HD LYS 75 3.274 -10.641 5.352 453 HD3 LYS 75 2HD LYS 75 2.128 -10.149 6.600 454 HE2 LYS 75 1HE LYS 75 1.602 -12.530 6.997 455 HE3 LYS 75 2HE LYS 75 2.835 -12.972 5.818 456 HZ1 LYS 75 1HZ LYS 75 3.261 -11.551 8.385 457 HZ2 LYS 75 2HZ LYS 75 4.473 -11.791 7.227 458 HZ3 LYS 75 3HZ LYS 75 3.757 -13.120 7.999 459 H VAL 76 H VAL 76 -1.758 -7.697 2.824 460 HA VAL 76 HA VAL 76 -0.093 -6.288 0.848 461 HB VAL 76 HB VAL 76 -3.088 -6.063 1.057 462 HG11 VAL 76 1HG1 VAL 76 -2.031 -4.235 -0.100 463 HG12 VAL 76 2HG1 VAL 76 -2.878 -5.251 -1.266 464 HG13 VAL 76 3HG1 VAL 76 -1.125 -5.355 -1.114 465 HG21 VAL 76 1HG2 VAL 76 -2.618 -8.383 0.592 466 HG22 VAL 76 2HG2 VAL 76 -1.495 -7.931 -0.690 467 HG23 VAL 76 3HG2 VAL 76 -3.217 -7.601 -0.871 468 H LEU 77 H LEU 77 0.458 -4.241 1.222 469 HA LEU 77 HA LEU 77 -1.041 -2.748 3.275 470 HB2 LEU 77 1HB LEU 77 1.842 -2.540 2.435 471 HB3 LEU 77 2HB LEU 77 1.032 -1.246 3.289 472 HG LEU 77 HG LEU 77 1.630 -4.019 4.307 473 HD11 LEU 77 1HD1 LEU 77 2.905 -2.791 5.995 474 HD12 LEU 77 2HD1 LEU 77 2.471 -1.269 5.216 475 HD13 LEU 77 3HD1 LEU 77 3.481 -2.438 4.366 476 HD21 LEU 77 1HD2 LEU 77 -0.027 -1.839 5.575 477 HD22 LEU 77 2HD2 LEU 77 0.561 -3.277 6.411 478 HD23 LEU 77 3HD2 LEU 77 -0.584 -3.439 5.081 479 H VAL 78 H VAL 78 -1.825 -0.775 2.761 480 HA VAL 78 HA VAL 78 -1.192 0.275 0.095 481 HB VAL 78 HB VAL 78 -3.595 1.218 0.136 482 HG11 VAL 78 1HG1 VAL 78 -3.102 -1.731 -0.271 483 HG12 VAL 78 2HG1 VAL 78 -2.855 -0.452 -1.457 484 HG13 VAL 78 3HG1 VAL 78 -4.482 -0.833 -0.901 485 HG21 VAL 78 1HG2 VAL 78 -5.204 -0.274 1.306 486 HG22 VAL 78 2HG2 VAL 78 -4.196 0.682 2.389 487 HG23 VAL 78 3HG2 VAL 78 -3.839 -1.025 2.133 488 H LEU 79 H LEU 79 -0.306 2.183 0.212 489 HA LEU 79 HA LEU 79 -0.645 3.720 2.695 490 HB2 LEU 79 1HB LEU 79 1.648 3.785 0.730 491 HB3 LEU 79 2HB LEU 79 1.548 4.695 2.223 492 HG LEU 79 HG LEU 79 1.701 1.684 2.021 493 HD11 LEU 79 1HD1 LEU 79 3.790 2.755 1.376 494 HD12 LEU 79 2HD1 LEU 79 3.949 1.954 2.938 495 HD13 LEU 79 3HD1 LEU 79 3.773 3.706 2.861 496 HD21 LEU 79 1HD2 LEU 79 0.450 2.400 3.977 497 HD22 LEU 79 2HD2 LEU 79 1.747 3.509 4.422 498 HD23 LEU 79 3HD2 LEU 79 2.028 1.768 4.447 499 H ILE 80 H ILE 80 -1.703 5.563 2.548 500 HA ILE 80 HA ILE 80 -1.904 6.868 -0.075 501 HB ILE 80 HB ILE 80 -3.765 8.191 0.931 502 HG12 ILE 80 1HG1 ILE 80 -3.496 6.221 3.215 503 HG13 ILE 80 2HG1 ILE 80 -3.102 7.934 3.298 504 HG21 ILE 80 1HG2 ILE 80 -5.407 6.368 0.851 505 HG22 ILE 80 2HG2 ILE 80 -4.096 5.193 0.965 506 HG23 ILE 80 3HG2 ILE 80 -4.219 6.244 -0.447 507 HD11 ILE 80 1HD1 ILE 80 -5.434 8.493 2.876 508 HD12 ILE 80 2HD1 ILE 80 -5.263 7.463 4.298 509 HD13 ILE 80 3HD1 ILE 80 -5.829 6.776 2.775 510 H THR 81 H THR 81 -1.422 9.085 -0.276 511 HA THR 81 HA THR 81 0.415 10.001 1.833 512 HB THR 81 HB THR 81 1.601 11.228 -0.019 513 HG1 THR 81 HG1 THR 81 0.245 9.430 -1.760 514 HG21 THR 81 1HG2 THR 81 2.722 9.184 -0.883 515 HG22 THR 81 2HG2 THR 81 1.458 8.217 -0.121 516 HG23 THR 81 3HG2 THR 81 2.536 9.200 0.869 517 H GLY 82 H GLY 82 0.568 12.205 2.285 518 HA2 GLY 82 1HA GLY 82 -0.099 14.409 2.403 519 HA3 GLY 82 2HA GLY 82 -1.069 14.147 0.960 520 H SER 83 H SER 83 -2.715 15.436 1.980 521 HA SER 83 HA SER 83 -4.105 14.089 4.169 522 HB2 SER 83 1HB SER 83 -5.467 16.246 4.193 523 HB3 SER 83 2HB SER 83 -3.772 16.390 4.653 524 HG SER 83 HG SER 83 -5.012 17.123 2.216 525 H ALA 84 H ALA 84 -5.385 12.532 3.399 526 HA ALA 84 HA ALA 84 -6.768 12.674 0.916 527 HB1 ALA 84 1HB ALA 84 -7.269 10.873 3.288 528 HB2 ALA 84 2HB ALA 84 -6.160 10.535 1.959 529 HB3 ALA 84 3HB ALA 84 -7.894 10.638 1.656 530 H ASP 85 H ASP 85 -8.549 13.769 0.473 531 HA ASP 85 HA ASP 85 -9.784 15.441 2.391 532 HB2 ASP 85 1HB ASP 85 -10.682 14.639 -0.387 533 HB3 ASP 85 2HB ASP 85 -11.453 15.895 0.575 534 HA PRO 86 HA PRO 86 -12.992 13.206 4.438 535 HB2 PRO 86 1HB PRO 86 -14.923 14.930 2.932 536 HB3 PRO 86 2HB PRO 86 -14.898 14.509 4.648 537 HG2 PRO 86 1HG PRO 86 -14.020 16.880 3.833 538 HG3 PRO 86 2HG PRO 86 -13.189 16.000 5.127 539 HD2 PRO 86 1HD PRO 86 -12.363 16.444 2.312 540 HD3 PRO 86 2HD PRO 86 -11.366 16.208 3.759 541 H ASP 87 H ASP 87 -13.873 13.985 1.077 542 HA ASP 87 HA ASP 87 -15.595 11.823 0.627 543 HB2 ASP 87 1HB ASP 87 -13.876 13.355 -1.334 544 HB3 ASP 87 2HB ASP 87 -15.171 12.253 -1.788 545 H GLU 88 H GLU 88 -12.115 12.099 0.372 546 HA GLU 88 HA GLU 88 -11.802 9.562 -0.966 547 HB2 GLU 88 1HB GLU 88 -9.687 11.258 0.365 548 HB3 GLU 88 2HB GLU 88 -9.440 10.004 -0.836 549 HG2 GLU 88 1HG GLU 88 -10.609 11.362 -2.496 550 HG3 GLU 88 2HG GLU 88 -10.838 12.625 -1.289 551 H LYS 89 H LYS 89 -11.282 10.900 2.247 552 HA LYS 89 HA LYS 89 -10.041 8.680 3.419 553 HB2 LYS 89 1HB LYS 89 -10.028 10.934 4.393 554 HB3 LYS 89 2HB LYS 89 -11.752 10.807 4.715 555 HG2 LYS 89 1HG LYS 89 -11.384 9.058 6.314 556 HG3 LYS 89 2HG LYS 89 -9.670 8.985 5.901 557 HD2 LYS 89 1HD LYS 89 -9.980 10.215 7.971 558 HD3 LYS 89 2HD LYS 89 -9.394 11.292 6.704 559 HE2 LYS 89 1HE LYS 89 -11.127 12.404 7.951 560 HE3 LYS 89 2HE LYS 89 -11.714 12.054 6.328 561 HZ1 LYS 89 1HZ LYS 89 -13.381 11.550 7.996 562 HZ2 LYS 89 2HZ LYS 89 -12.329 10.475 8.766 563 HZ3 LYS 89 3HZ LYS 89 -12.893 10.135 7.212 564 H THR 90 H THR 90 -13.463 9.558 3.172 565 HA THR 90 HA THR 90 -14.485 7.486 4.773 566 HB THR 90 HB THR 90 -16.537 7.786 3.160 567 HG1 THR 90 HG1 THR 90 -15.273 10.267 2.665 568 HG21 THR 90 1HG2 THR 90 -16.432 8.589 5.462 569 HG22 THR 90 2HG2 THR 90 -17.221 9.763 4.409 570 HG23 THR 90 3HG2 THR 90 -15.555 10.022 4.927 571 H LYS 91 H LYS 91 -13.971 7.682 1.268 572 HA LYS 91 HA LYS 91 -14.938 5.147 0.625 573 HB2 LYS 91 1HB LYS 91 -12.734 6.696 -0.748 574 HB3 LYS 91 2HB LYS 91 -13.600 5.332 -1.437 575 HG2 LYS 91 1HG LYS 91 -15.683 6.635 -1.339 576 HG3 LYS 91 2HG LYS 91 -14.768 8.009 -0.714 577 HD2 LYS 91 1HD LYS 91 -13.378 7.966 -2.758 578 HD3 LYS 91 2HD LYS 91 -14.383 6.659 -3.385 579 HE2 LYS 91 1HE LYS 91 -16.348 8.161 -3.210 580 HE3 LYS 91 2HE LYS 91 -15.265 9.464 -2.724 581 HZ1 LYS 91 1HZ LYS 91 -14.113 9.229 -4.846 582 HZ2 LYS 91 2HZ LYS 91 -15.752 9.583 -5.072 583 HZ3 LYS 91 3HZ LYS 91 -15.189 8.007 -5.309 584 H ALA 92 H ALA 92 -11.737 6.225 1.620 585 HA ALA 92 HA ALA 92 -10.432 3.752 1.083 586 HB1 ALA 92 1HB ALA 92 -9.556 6.045 2.837 587 HB2 ALA 92 2HB ALA 92 -9.217 5.875 1.115 588 HB3 ALA 92 3HB ALA 92 -8.534 4.727 2.266 589 H LYS 93 H LYS 93 -11.848 5.257 3.946 590 HA LYS 93 HA LYS 93 -10.911 3.305 5.771 591 HB2 LYS 93 1HB LYS 93 -11.651 5.562 6.466 592 HB3 LYS 93 2HB LYS 93 -13.304 5.132 6.041 593 HG2 LYS 93 1HG LYS 93 -13.232 3.327 7.719 594 HG3 LYS 93 2HG LYS 93 -11.616 3.859 8.181 595 HD2 LYS 93 1HD LYS 93 -12.540 6.066 8.772 596 HD3 LYS 93 2HD LYS 93 -14.154 5.479 8.365 597 HE2 LYS 93 1HE LYS 93 -12.340 4.444 10.539 598 HE3 LYS 93 2HE LYS 93 -13.833 5.355 10.752 599 HZ1 LYS 93 1HZ LYS 93 -13.603 2.626 9.601 600 HZ2 LYS 93 2HZ LYS 93 -15.042 3.502 9.741 601 HZ3 LYS 93 3HZ LYS 93 -14.211 3.017 11.129 602 H LYS 94 H LYS 94 -13.931 3.708 3.983 603 HA LYS 94 HA LYS 94 -15.218 1.432 5.080 604 HB2 LYS 94 1HB LYS 94 -16.462 3.223 3.960 605 HB3 LYS 94 2HB LYS 94 -15.680 2.823 2.436 606 HG2 LYS 94 1HG LYS 94 -16.722 0.604 2.502 607 HG3 LYS 94 2HG LYS 94 -17.535 1.047 4.003 608 HD2 LYS 94 1HD LYS 94 -18.747 2.800 2.881 609 HD3 LYS 94 2HD LYS 94 -17.858 2.504 1.386 610 HE2 LYS 94 1HE LYS 94 -19.741 0.590 2.761 611 HE3 LYS 94 2HE LYS 94 -20.066 1.492 1.280 612 HZ1 LYS 94 1HZ LYS 94 -17.997 -0.617 1.643 613 HZ2 LYS 94 2HZ LYS 94 -18.218 0.295 0.229 614 HZ3 LYS 94 3HZ LYS 94 -19.435 -0.752 0.755 615 H ALA 95 H ALA 95 -13.343 1.959 2.114 616 HA ALA 95 HA ALA 95 -13.551 -0.629 1.060 617 HB1 ALA 95 1HB ALA 95 -12.661 1.263 -0.216 618 HB2 ALA 95 2HB ALA 95 -11.549 -0.103 -0.226 619 HB3 ALA 95 3HB ALA 95 -11.232 1.286 0.813 620 H ALA 96 H ALA 96 -11.344 0.760 3.425 621 HA ALA 96 HA ALA 96 -9.577 -1.396 3.694 622 HB1 ALA 96 1HB ALA 96 -10.439 0.544 5.835 623 HB2 ALA 96 2HB ALA 96 -9.189 0.851 4.632 624 HB3 ALA 96 3HB ALA 96 -8.967 -0.427 5.827 625 H GLU 97 H GLU 97 -12.787 -0.871 4.949 626 HA GLU 97 HA GLU 97 -12.624 -2.863 6.989 627 HB2 GLU 97 1HB GLU 97 -14.241 -0.828 6.778 628 HB3 GLU 97 2HB GLU 97 -15.208 -1.918 5.793 629 HG2 GLU 97 1HG GLU 97 -15.911 -1.864 8.149 630 HG3 GLU 97 2HG GLU 97 -15.406 -3.471 7.617 631 H GLU 98 H GLU 98 -14.170 -2.729 3.782 632 HA GLU 98 HA GLU 98 -14.965 -5.449 3.779 633 HB2 GLU 98 1HB GLU 98 -14.624 -3.389 1.622 634 HB3 GLU 98 2HB GLU 98 -14.965 -5.061 1.206 635 HG2 GLU 98 1HG GLU 98 -17.034 -3.964 1.205 636 HG3 GLU 98 2HG GLU 98 -16.988 -4.894 2.698 637 H ALA 99 H ALA 99 -12.072 -3.776 2.695 638 HA ALA 99 HA ALA 99 -10.986 -6.089 1.381 639 HB1 ALA 99 1HB ALA 99 -9.054 -4.705 0.945 640 HB2 ALA 99 2HB ALA 99 -9.644 -3.485 2.074 641 HB3 ALA 99 3HB ALA 99 -10.534 -3.813 0.587 642 H ARG 100 H ARG 100 -11.084 -5.034 4.598 643 HA ARG 100 HA ARG 100 -8.589 -5.729 5.607 644 HB2 ARG 100 1HB ARG 100 -10.601 -4.648 6.808 645 HB3 ARG 100 2HB ARG 100 -11.143 -6.294 7.100 646 HG2 ARG 100 1HG ARG 100 -8.977 -6.749 8.225 647 HG3 ARG 100 2HG ARG 100 -8.570 -5.045 8.034 648 HD2 ARG 100 1HD ARG 100 -10.870 -6.199 9.606 649 HD3 ARG 100 2HD ARG 100 -9.429 -5.424 10.257 650 HE ARG 100 HE ARG 100 -11.773 -4.134 9.151 651 HH11 ARG 100 1HH1 ARG 100 -8.390 -3.742 9.997 652 HH12 ARG 100 2HH1 ARG 100 -8.518 -2.029 10.211 653 HH21 ARG 100 1HH2 ARG 100 -11.940 -1.885 9.461 654 HH22 ARG 100 2HH2 ARG 100 -10.526 -0.967 9.887 655 H LYS 101 H LYS 101 -11.222 -7.718 4.566 656 HA LYS 101 HA LYS 101 -10.491 -10.131 5.852 657 HB2 LYS 101 1HB LYS 101 -12.013 -9.802 3.262 658 HB3 LYS 101 2HB LYS 101 -12.047 -11.196 4.331 659 HG2 LYS 101 1HG LYS 101 -13.078 -8.441 4.983 660 HG3 LYS 101 2HG LYS 101 -14.056 -9.851 4.575 661 HD2 LYS 101 1HD LYS 101 -13.194 -11.008 6.561 662 HD3 LYS 101 2HD LYS 101 -12.243 -9.580 6.971 663 HE2 LYS 101 1HE LYS 101 -14.257 -9.593 8.285 664 HE3 LYS 101 2HE LYS 101 -14.333 -8.274 7.120 665 HZ1 LYS 101 1HZ LYS 101 -15.657 -10.913 6.818 666 HZ2 LYS 101 2HZ LYS 101 -15.753 -9.626 5.724 667 HZ3 LYS 101 3HZ LYS 101 -16.426 -9.475 7.267 668 H TRP 102 H TRP 102 -9.172 -8.451 3.187 669 HA TRP 102 HA TRP 102 -7.906 -10.854 2.102 670 HB2 TRP 102 1HB TRP 102 -8.025 -8.010 1.087 671 HB3 TRP 102 2HB TRP 102 -7.105 -9.297 0.303 672 HD1 TRP 102 HD1 TRP 102 -10.330 -7.659 0.036 673 HE1 TRP 102 HE1 TRP 102 -12.039 -9.131 -1.208 674 HE3 TRP 102 HE3 TRP 102 -7.849 -12.123 0.237 675 HZ2 TRP 102 HZ2 TRP 102 -12.296 -11.828 -1.990 676 HZ3 TRP 102 HZ3 TRP 102 -8.898 -14.103 -0.779 677 HH2 TRP 102 HH2 TRP 102 -11.074 -13.955 -1.868 678 H ASN 103 H ASN 103 -7.330 -8.989 4.591 679 HA ASN 103 HA ASN 103 -5.533 -8.650 5.926 680 HB2 ASN 103 1HB ASN 103 -4.934 -10.978 5.084 681 HB3 ASN 103 2HB ASN 103 -3.862 -10.186 3.934 682 HD21 ASN 103 1HD2 ASN 103 -2.009 -11.045 4.776 683 HD22 ASN 103 2HD2 ASN 103 -1.381 -10.613 6.334 684 H VAL 104 H VAL 104 -6.223 -6.777 3.856 685 HA VAL 104 HA VAL 104 -3.599 -5.551 3.376 686 HB VAL 104 HB VAL 104 -4.975 -5.753 1.360 687 HG11 VAL 104 1HG1 VAL 104 -7.177 -5.714 2.340 688 HG12 VAL 104 2HG1 VAL 104 -7.033 -4.450 1.118 689 HG13 VAL 104 3HG1 VAL 104 -6.955 -4.034 2.830 690 HG21 VAL 104 1HG2 VAL 104 -3.445 -3.867 1.535 691 HG22 VAL 104 2HG2 VAL 104 -4.706 -2.903 2.300 692 HG23 VAL 104 3HG2 VAL 104 -4.888 -3.421 0.625 693 H ARG 105 H ARG 105 -3.115 -3.542 4.197 694 HA ARG 105 HA ARG 105 -5.020 -2.483 6.180 695 HB2 ARG 105 1HB ARG 105 -2.038 -2.767 6.585 696 HB3 ARG 105 2HB ARG 105 -3.227 -2.247 7.777 697 HG2 ARG 105 1HG ARG 105 -4.108 -4.382 8.018 698 HG3 ARG 105 2HG ARG 105 -3.435 -4.937 6.488 699 HD2 ARG 105 1HD ARG 105 -1.149 -4.599 7.569 700 HD3 ARG 105 2HD ARG 105 -2.025 -4.474 9.096 701 HE ARG 105 HE ARG 105 -2.967 -6.763 7.948 702 HH11 ARG 105 1HH1 ARG 105 0.172 -5.604 8.970 703 HH12 ARG 105 2HH1 ARG 105 0.833 -7.195 9.161 704 HH21 ARG 105 1HH2 ARG 105 -2.095 -8.853 8.199 705 HH22 ARG 105 2HH2 ARG 105 -0.455 -9.039 8.735 706 H VAL 106 H VAL 106 -5.267 -0.328 6.185 707 HA VAL 106 HA VAL 106 -3.761 1.184 4.186 708 HB VAL 106 HB VAL 106 -6.215 2.081 5.703 709 HG11 VAL 106 1HG1 VAL 106 -4.980 3.076 3.139 710 HG12 VAL 106 2HG1 VAL 106 -4.908 3.882 4.705 711 HG13 VAL 106 3HG1 VAL 106 -6.456 3.691 3.882 712 HG21 VAL 106 1HG2 VAL 106 -6.777 0.071 4.474 713 HG22 VAL 106 2HG2 VAL 106 -6.058 0.737 3.010 714 HG23 VAL 106 3HG2 VAL 106 -7.501 1.477 3.695 715 H ARG 107 H ARG 107 -2.200 2.515 4.756 716 HA ARG 107 HA ARG 107 -2.340 3.830 7.385 717 HB2 ARG 107 1HB ARG 107 0.157 2.699 6.098 718 HB3 ARG 107 2HB ARG 107 0.122 3.655 7.572 719 HG2 ARG 107 1HG ARG 107 -1.177 1.919 8.682 720 HG3 ARG 107 2HG ARG 107 -1.186 0.969 7.198 721 HD2 ARG 107 1HD ARG 107 1.261 0.827 7.284 722 HD3 ARG 107 2HD ARG 107 1.255 1.753 8.785 723 HE ARG 107 HE ARG 107 -0.374 -0.324 9.357 724 HH11 ARG 107 1HH1 ARG 107 2.862 -0.142 8.042 725 HH12 ARG 107 2HH1 ARG 107 3.354 -1.671 8.693 726 HH21 ARG 107 1HH2 ARG 107 0.255 -2.335 10.210 727 HH22 ARG 107 2HH2 ARG 107 1.863 -2.928 9.928 728 H THR 108 H THR 108 -1.661 5.969 7.417 729 HA THR 108 HA THR 108 -1.436 7.189 4.761 730 HB THR 108 HB THR 108 -2.001 8.549 7.407 731 HG1 THR 108 HG1 THR 108 -3.580 6.905 6.359 732 HG21 THR 108 1HG2 THR 108 -2.361 9.485 4.556 733 HG22 THR 108 2HG2 THR 108 -1.118 10.041 5.674 734 HG23 THR 108 3HG2 THR 108 -2.815 10.387 6.003 735 H VAL 109 H VAL 109 0.440 7.998 4.087 736 HA VAL 109 HA VAL 109 2.487 8.652 6.104 737 HB VAL 109 HB VAL 109 4.226 7.957 4.469 738 HG11 VAL 109 1HG1 VAL 109 3.580 6.440 6.247 739 HG12 VAL 109 2HG1 VAL 109 3.937 5.534 4.776 740 HG13 VAL 109 3HG1 VAL 109 2.263 5.808 5.258 741 HG21 VAL 109 1HG2 VAL 109 2.976 8.146 2.409 742 HG22 VAL 109 2HG2 VAL 109 1.878 6.867 2.920 743 HG23 VAL 109 3HG2 VAL 109 3.571 6.498 2.589 744 H THR 110 H THR 110 3.772 10.447 5.696 745 HA THR 110 HA THR 110 2.784 12.181 3.525 746 HB THR 110 HB THR 110 3.387 14.110 5.016 747 HG1 THR 110 HG1 THR 110 4.101 11.992 6.689 748 HG21 THR 110 1HG2 THR 110 1.070 13.382 4.787 749 HG22 THR 110 2HG2 THR 110 1.392 13.923 6.434 750 HG23 THR 110 3HG2 THR 110 1.302 12.199 6.074 751 H SER 111 H SER 111 5.561 11.124 5.394 752 HA SER 111 HA SER 111 7.323 12.443 3.433 753 HB2 SER 111 1HB SER 111 7.976 11.660 6.283 754 HB3 SER 111 2HB SER 111 8.998 12.586 5.183 755 HG SER 111 HG SER 111 6.741 13.368 6.621 756 HA PRO 112 HA PRO 112 8.814 8.573 1.954 757 HB2 PRO 112 1HB PRO 112 11.561 9.643 2.274 758 HB3 PRO 112 2HB PRO 112 10.761 9.010 0.835 759 HG2 PRO 112 1HG PRO 112 11.171 11.632 1.157 760 HG3 PRO 112 2HG PRO 112 9.706 11.012 0.377 761 HD2 PRO 112 1HD PRO 112 10.071 12.119 3.119 762 HD3 PRO 112 2HD PRO 112 8.685 12.250 2.022 763 H ASP 113 H ASP 113 10.410 9.914 4.798 764 HA ASP 113 HA ASP 113 11.837 7.633 5.584 765 HB2 ASP 113 1HB ASP 113 12.189 9.894 6.537 766 HB3 ASP 113 2HB ASP 113 10.646 9.763 7.375 767 H GLU 114 H GLU 114 8.506 8.590 6.132 768 HA GLU 114 HA GLU 114 7.879 6.604 8.060 769 HB2 GLU 114 1HB GLU 114 6.032 7.998 6.115 770 HB3 GLU 114 2HB GLU 114 5.547 7.138 7.568 771 HG2 GLU 114 1HG GLU 114 6.689 8.778 8.942 772 HG3 GLU 114 2HG GLU 114 7.235 9.627 7.494 773 H ALA 115 H ALA 115 7.231 6.834 4.574 774 HA ALA 115 HA ALA 115 5.998 4.346 4.264 775 HB1 ALA 115 1HB ALA 115 5.907 6.117 2.574 776 HB2 ALA 115 2HB ALA 115 6.464 4.593 1.882 777 HB3 ALA 115 3HB ALA 115 7.621 5.878 2.232 778 H LYS 116 H LYS 116 9.392 5.285 3.887 779 HA LYS 116 HA LYS 116 10.387 2.785 3.090 780 HB2 LYS 116 1HB LYS 116 11.597 4.941 2.912 781 HB3 LYS 116 2HB LYS 116 11.785 4.960 4.658 782 HG2 LYS 116 1HG LYS 116 13.213 3.046 4.594 783 HG3 LYS 116 2HG LYS 116 12.891 2.805 2.874 784 HD2 LYS 116 1HD LYS 116 13.930 4.973 2.385 785 HD3 LYS 116 2HD LYS 116 14.268 5.194 4.101 786 HE2 LYS 116 1HE LYS 116 15.786 3.366 4.120 787 HE3 LYS 116 2HE LYS 116 15.292 2.860 2.504 788 HZ1 LYS 116 1HZ LYS 116 16.693 5.391 3.166 789 HZ2 LYS 116 2HZ LYS 116 16.214 4.906 1.614 790 HZ3 LYS 116 3HZ LYS 116 17.400 4.031 2.451 791 H ARG 117 H ARG 117 9.772 4.171 6.252 792 HA ARG 117 HA ARG 117 11.017 2.172 7.808 793 HB2 ARG 117 1HB ARG 117 10.415 4.358 8.722 794 HB3 ARG 117 2HB ARG 117 8.712 4.017 8.467 795 HG2 ARG 117 1HG ARG 117 9.312 3.749 10.799 796 HG3 ARG 117 2HG ARG 117 8.825 2.204 10.099 797 HD2 ARG 117 1HD ARG 117 10.801 1.979 11.530 798 HD3 ARG 117 2HD ARG 117 11.151 1.555 9.856 799 HE ARG 117 HE ARG 117 11.778 4.252 10.196 800 HH11 ARG 117 1HH1 ARG 117 12.853 1.139 11.373 801 HH12 ARG 117 2HH1 ARG 117 14.494 1.645 11.604 802 HH21 ARG 117 1HH2 ARG 117 13.944 4.929 10.485 803 HH22 ARG 117 2HH2 ARG 117 15.114 3.810 11.106 804 H TRP 118 H TRP 118 7.628 2.637 6.813 805 HA TRP 118 HA TRP 118 6.614 0.365 8.108 806 HB2 TRP 118 1HB TRP 118 5.591 1.810 5.660 807 HB3 TRP 118 2HB TRP 118 4.698 0.552 6.507 808 HD1 TRP 118 HD1 TRP 118 4.477 4.030 6.204 809 HE1 TRP 118 HE1 TRP 118 3.612 5.204 8.326 810 HE3 TRP 118 HE3 TRP 118 5.275 0.279 9.587 811 HZ2 TRP 118 HZ2 TRP 118 3.317 4.617 11.068 812 HZ3 TRP 118 HZ3 TRP 118 4.679 0.669 11.936 813 HH2 TRP 118 HH2 TRP 118 3.720 2.794 12.663 814 H ILE 119 H ILE 119 7.828 0.797 4.810 815 HA ILE 119 HA ILE 119 7.125 -1.750 3.855 816 HB ILE 119 HB ILE 119 9.342 0.099 2.971 817 HG12 ILE 119 1HG1 ILE 119 6.594 -0.432 1.816 818 HG13 ILE 119 2HG1 ILE 119 7.026 0.972 2.788 819 HG21 ILE 119 1HG2 ILE 119 9.821 -2.201 2.284 820 HG22 ILE 119 2HG2 ILE 119 9.404 -1.190 0.900 821 HG23 ILE 119 3HG2 ILE 119 8.218 -2.318 1.556 822 HD11 ILE 119 1HD1 ILE 119 6.987 1.519 0.433 823 HD12 ILE 119 2HD1 ILE 119 8.171 0.256 0.100 824 HD13 ILE 119 3HD1 ILE 119 8.624 1.656 1.073 825 H LYS 120 H LYS 120 10.252 -0.602 5.153 826 HA LYS 120 HA LYS 120 11.553 -3.084 4.872 827 HB2 LYS 120 1HB LYS 120 12.743 -0.941 5.197 828 HB3 LYS 120 2HB LYS 120 12.156 -0.881 6.853 829 HG2 LYS 120 1HG LYS 120 14.430 -1.663 6.832 830 HG3 LYS 120 2HG LYS 120 13.365 -2.974 7.332 831 HD2 LYS 120 1HD LYS 120 14.963 -3.882 5.813 832 HD3 LYS 120 2HD LYS 120 13.417 -3.803 4.969 833 HE2 LYS 120 1HE LYS 120 15.151 -3.053 3.485 834 HE3 LYS 120 2HE LYS 120 14.152 -1.672 3.930 835 HZ1 LYS 120 1HZ LYS 120 15.823 -0.986 5.506 836 HZ2 LYS 120 2HZ LYS 120 16.539 -1.172 3.989 837 HZ3 LYS 120 3HZ LYS 120 16.761 -2.351 5.176 838 H GLU 121 H GLU 121 9.741 -1.664 7.553 839 HA GLU 121 HA GLU 121 10.207 -3.721 9.426 840 HB2 GLU 121 1HB GLU 121 9.279 -1.496 9.992 841 HB3 GLU 121 2HB GLU 121 7.794 -1.916 9.152 842 HG2 GLU 121 1HG GLU 121 7.561 -2.139 11.562 843 HG3 GLU 121 2HG GLU 121 7.366 -3.691 10.748 844 H PHE 122 H PHE 122 7.614 -3.191 7.087 845 HA PHE 122 HA PHE 122 6.060 -5.446 7.738 846 HB2 PHE 122 1HB PHE 122 5.218 -3.502 6.508 847 HB3 PHE 122 2HB PHE 122 6.274 -3.885 5.157 848 HD1 PHE 122 HD1 PHE 122 5.405 -5.045 3.381 849 HD2 PHE 122 HD2 PHE 122 3.558 -5.420 7.197 850 HE1 PHE 122 HE1 PHE 122 3.604 -6.380 2.373 851 HE2 PHE 122 HE2 PHE 122 1.755 -6.762 6.194 852 HZ PHE 122 HZ PHE 122 1.779 -7.239 3.780 853 H SER 123 H SER 123 8.929 -5.087 5.849 854 HA SER 123 HA SER 123 8.686 -7.211 4.055 855 HB2 SER 123 1HB SER 123 11.179 -6.073 5.333 856 HB3 SER 123 2HB SER 123 11.155 -7.104 3.903 857 HG SER 123 HG SER 123 9.672 -4.702 3.997 858 H GLU 124 H GLU 124 9.742 -7.156 7.402 859 HA GLU 124 HA GLU 124 10.072 -8.765 8.961 860 HB2 GLU 124 1HB GLU 124 8.933 -10.629 6.878 861 HB3 GLU 124 2HB GLU 124 9.309 -11.096 8.529 862 HG2 GLU 124 1HG GLU 124 7.661 -9.543 9.376 863 HG3 GLU 124 2HG GLU 124 7.323 -8.977 7.741 864 H GLU 125 H GLU 125 10.936 -10.200 5.809 865 HA GLU 125 HA GLU 125 13.272 -11.438 6.987 866 HB2 GLU 125 1HB GLU 125 12.244 -11.447 4.144 867 HB3 GLU 125 2HB GLU 125 13.604 -12.394 4.727 868 HG2 GLU 125 1HG GLU 125 12.044 -13.499 6.335 869 HG3 GLU 125 2HG GLU 125 10.718 -12.662 5.529 Start of MODEL 10 1 HA MET 21 HA MET 21 5.266 -15.080 0.690 2 HB2 MET 21 1HB MET 21 7.668 -15.648 0.730 3 HB3 MET 21 2HB MET 21 7.881 -14.845 -0.817 4 HG2 MET 21 1HG MET 21 7.235 -12.715 0.205 5 HG3 MET 21 2HG MET 21 7.042 -13.527 1.757 6 HE1 MET 21 1HE MET 21 10.295 -11.426 2.320 7 HE2 MET 21 2HE MET 21 8.679 -11.801 2.920 8 HE3 MET 21 3HE MET 21 8.876 -10.952 1.386 9 H ARG 22 H ARG 22 3.531 -14.024 -0.249 10 HA ARG 22 HA ARG 22 4.203 -12.263 -2.511 11 HB2 ARG 22 1HB ARG 22 2.060 -14.079 -2.204 12 HB3 ARG 22 2HB ARG 22 1.374 -12.462 -2.116 13 HG2 ARG 22 1HG ARG 22 1.336 -13.255 -4.392 14 HG3 ARG 22 2HG ARG 22 2.458 -11.900 -4.245 15 HD2 ARG 22 1HD ARG 22 4.331 -13.471 -4.128 16 HD3 ARG 22 2HD ARG 22 3.209 -14.820 -4.279 17 HE ARG 22 HE ARG 22 2.820 -13.106 -6.457 18 HH11 ARG 22 1HH1 ARG 22 5.248 -15.278 -5.176 19 HH12 ARG 22 2HH1 ARG 22 5.914 -15.651 -6.734 20 HH21 ARG 22 1HH2 ARG 22 3.698 -13.590 -8.501 21 HH22 ARG 22 2HH2 ARG 22 5.046 -14.676 -8.621 22 H LEU 23 H LEU 23 4.909 -10.514 -1.431 23 HA LEU 23 HA LEU 23 2.967 -9.163 0.314 24 HB2 LEU 23 1HB LEU 23 5.937 -8.723 0.009 25 HB3 LEU 23 2HB LEU 23 4.889 -7.756 1.028 26 HG LEU 23 HG LEU 23 5.522 -10.689 1.390 27 HD11 LEU 23 1HD1 LEU 23 6.622 -9.943 3.440 28 HD12 LEU 23 2HD1 LEU 23 6.272 -8.267 3.021 29 HD13 LEU 23 3HD1 LEU 23 7.359 -9.220 2.011 30 HD21 LEU 23 1HD2 LEU 23 3.765 -8.858 3.016 31 HD22 LEU 23 2HD2 LEU 23 4.253 -10.486 3.485 32 HD23 LEU 23 3HD2 LEU 23 3.238 -10.246 2.063 33 H VAL 24 H VAL 24 1.833 -7.646 -0.645 34 HA VAL 24 HA VAL 24 2.840 -6.519 -3.171 35 HB VAL 24 HB VAL 24 -0.018 -6.710 -2.199 36 HG11 VAL 24 1HG1 VAL 24 0.352 -4.870 -3.758 37 HG12 VAL 24 2HG1 VAL 24 -0.610 -6.145 -4.507 38 HG13 VAL 24 3HG1 VAL 24 1.100 -5.980 -4.906 39 HG21 VAL 24 1HG2 VAL 24 1.420 -8.422 -4.225 40 HG22 VAL 24 2HG2 VAL 24 -0.294 -8.515 -3.817 41 HG23 VAL 24 3HG2 VAL 24 0.925 -8.927 -2.609 42 H VAL 25 H VAL 25 3.107 -4.339 -3.352 43 HA VAL 25 HA VAL 25 1.999 -2.671 -1.187 44 HB VAL 25 HB VAL 25 4.598 -2.042 -2.584 45 HG11 VAL 25 1HG1 VAL 25 3.355 -1.044 -0.022 46 HG12 VAL 25 2HG1 VAL 25 3.459 -0.164 -1.547 47 HG13 VAL 25 3HG1 VAL 25 4.928 -0.560 -0.654 48 HG21 VAL 25 1HG2 VAL 25 4.248 -3.452 0.066 49 HG22 VAL 25 2HG2 VAL 25 5.775 -2.879 -0.604 50 HG23 VAL 25 3HG2 VAL 25 4.885 -4.171 -1.413 51 H LEU 26 H LEU 26 0.417 -1.527 -2.054 52 HA LEU 26 HA LEU 26 0.803 -0.376 -4.736 53 HB2 LEU 26 1HB LEU 26 -1.702 -1.063 -3.206 54 HB3 LEU 26 2HB LEU 26 -1.721 -0.049 -4.641 55 HG LEU 26 HG LEU 26 -0.411 -2.717 -4.850 56 HD11 LEU 26 1HD1 LEU 26 -3.394 -2.294 -4.836 57 HD12 LEU 26 2HD1 LEU 26 -2.467 -3.242 -3.672 58 HD13 LEU 26 3HD1 LEU 26 -2.567 -3.762 -5.354 59 HD21 LEU 26 1HD2 LEU 26 -2.190 -1.144 -6.704 60 HD22 LEU 26 2HD2 LEU 26 -1.260 -2.589 -7.103 61 HD23 LEU 26 3HD2 LEU 26 -0.428 -1.085 -6.703 62 H ILE 27 H ILE 27 1.135 1.725 -4.859 63 HA ILE 27 HA ILE 27 0.462 3.375 -2.514 64 HB ILE 27 HB ILE 27 2.786 2.987 -2.327 65 HG12 ILE 27 1HG1 ILE 27 2.526 5.642 -3.753 66 HG13 ILE 27 2HG1 ILE 27 2.119 5.364 -2.061 67 HG21 ILE 27 1HG2 ILE 27 3.312 2.037 -4.419 68 HG22 ILE 27 2HG2 ILE 27 4.354 3.449 -4.229 69 HG23 ILE 27 3HG2 ILE 27 2.934 3.531 -5.269 70 HD11 ILE 27 1HD1 ILE 27 4.451 4.769 -1.614 71 HD12 ILE 27 2HD1 ILE 27 4.295 6.398 -2.270 72 HD13 ILE 27 3HD1 ILE 27 4.843 5.080 -3.305 73 H VAL 28 H VAL 28 -0.107 5.502 -2.896 74 HA VAL 28 HA VAL 28 -1.163 6.024 -5.560 75 HB VAL 28 HB VAL 28 -1.465 7.661 -3.028 76 HG11 VAL 28 1HG1 VAL 28 -1.960 8.915 -5.065 77 HG12 VAL 28 2HG1 VAL 28 -3.424 8.619 -4.127 78 HG13 VAL 28 3HG1 VAL 28 -3.092 7.658 -5.568 79 HG21 VAL 28 1HG2 VAL 28 -3.648 6.576 -2.774 80 HG22 VAL 28 2HG2 VAL 28 -2.325 5.414 -2.680 81 HG23 VAL 28 3HG2 VAL 28 -3.286 5.537 -4.152 82 H SER 29 H SER 29 -0.767 8.040 -6.658 83 HA SER 29 HA SER 29 1.974 8.575 -6.897 84 HB2 SER 29 1HB SER 29 1.100 10.487 -8.387 85 HB3 SER 29 2HB SER 29 0.698 8.832 -8.844 86 HG SER 29 HG SER 29 -0.972 10.604 -7.370 87 H ASN 30 H ASN 30 3.246 10.185 -6.272 88 HA ASN 30 HA ASN 30 2.299 12.558 -4.940 89 HB2 ASN 30 1HB ASN 30 2.461 10.569 -3.223 90 HB3 ASN 30 2HB ASN 30 4.193 10.821 -3.372 91 HD21 ASN 30 1HD2 ASN 30 2.554 11.115 -1.046 92 HD22 ASN 30 2HD2 ASN 30 2.703 12.754 -0.522 93 H ASP 31 H ASP 31 4.617 13.572 -3.990 94 HA ASP 31 HA ASP 31 6.286 14.144 -6.111 95 HB2 ASP 31 1HB ASP 31 6.335 15.253 -3.848 96 HB3 ASP 31 2HB ASP 31 7.227 13.860 -3.246 97 H LYS 32 H LYS 32 8.134 13.256 -6.961 98 HA LYS 32 HA LYS 32 8.053 10.459 -7.157 99 HB2 LYS 32 1HB LYS 32 9.987 12.516 -8.187 100 HB3 LYS 32 2HB LYS 32 10.230 10.800 -8.471 101 HG2 LYS 32 1HG LYS 32 9.161 11.655 -10.392 102 HG3 LYS 32 2HG LYS 32 7.935 10.753 -9.504 103 HD2 LYS 32 1HD LYS 32 7.189 12.929 -8.508 104 HD3 LYS 32 2HD LYS 32 8.292 13.742 -9.620 105 HE2 LYS 32 1HE LYS 32 5.942 11.999 -10.347 106 HE3 LYS 32 2HE LYS 32 6.057 13.746 -10.535 107 HZ1 LYS 32 1HZ LYS 32 7.662 11.707 -11.975 108 HZ2 LYS 32 2HZ LYS 32 7.892 13.376 -12.106 109 HZ3 LYS 32 3HZ LYS 32 6.445 12.680 -12.630 110 H LYS 33 H LYS 33 9.765 12.496 -4.981 111 HA LYS 33 HA LYS 33 11.916 10.817 -4.293 112 HB2 LYS 33 1HB LYS 33 10.323 12.765 -2.619 113 HB3 LYS 33 2HB LYS 33 11.786 11.970 -2.058 114 HG2 LYS 33 1HG LYS 33 11.650 13.747 -4.484 115 HG3 LYS 33 2HG LYS 33 12.134 14.284 -2.874 116 HD2 LYS 33 1HD LYS 33 13.954 12.609 -2.909 117 HD3 LYS 33 2HD LYS 33 13.500 12.188 -4.560 118 HE2 LYS 33 1HE LYS 33 13.980 14.461 -5.286 119 HE3 LYS 33 2HE LYS 33 14.382 14.918 -3.632 120 HZ1 LYS 33 1HZ LYS 33 15.827 12.908 -5.270 121 HZ2 LYS 33 2HZ LYS 33 16.213 13.339 -3.682 122 HZ3 LYS 33 3HZ LYS 33 16.364 14.473 -4.924 123 H LEU 34 H LEU 34 8.543 10.847 -3.325 124 HA LEU 34 HA LEU 34 8.738 9.006 -1.186 125 HB2 LEU 34 1HB LEU 34 6.813 10.516 -1.537 126 HB3 LEU 34 2HB LEU 34 6.381 9.614 -2.977 127 HG LEU 34 HG LEU 34 6.179 7.578 -1.418 128 HD11 LEU 34 1HD1 LEU 34 5.658 8.087 0.898 129 HD12 LEU 34 2HD1 LEU 34 6.038 9.786 0.623 130 HD13 LEU 34 3HD1 LEU 34 7.306 8.567 0.500 131 HD21 LEU 34 1HD2 LEU 34 4.231 9.864 -1.172 132 HD22 LEU 34 2HD2 LEU 34 3.890 8.173 -0.807 133 HD23 LEU 34 3HD2 LEU 34 4.268 8.660 -2.461 134 H ILE 35 H ILE 35 7.870 8.621 -4.601 135 HA ILE 35 HA ILE 35 7.279 5.869 -4.435 136 HB ILE 35 HB ILE 35 7.929 7.637 -6.790 137 HG12 ILE 35 1HG1 ILE 35 5.511 7.010 -7.349 138 HG13 ILE 35 2HG1 ILE 35 5.411 6.351 -5.722 139 HG21 ILE 35 1HG2 ILE 35 7.274 5.781 -8.260 140 HG22 ILE 35 2HG2 ILE 35 7.185 4.713 -6.860 141 HG23 ILE 35 3HG2 ILE 35 8.733 5.409 -7.343 142 HD11 ILE 35 1HD1 ILE 35 4.468 8.583 -5.855 143 HD12 ILE 35 2HD1 ILE 35 6.015 9.213 -6.426 144 HD13 ILE 35 3HD1 ILE 35 5.880 8.549 -4.797 145 H GLU 36 H GLU 36 10.262 7.606 -5.269 146 HA GLU 36 HA GLU 36 11.720 5.374 -6.147 147 HB2 GLU 36 1HB GLU 36 12.712 7.904 -4.834 148 HB3 GLU 36 2HB GLU 36 13.750 6.708 -5.597 149 HG2 GLU 36 1HG GLU 36 12.460 7.087 -7.716 150 HG3 GLU 36 2HG GLU 36 11.685 8.450 -6.908 151 H GLU 37 H GLU 37 11.709 6.914 -2.918 152 HA GLU 37 HA GLU 37 13.443 4.996 -1.793 153 HB2 GLU 37 1HB GLU 37 11.530 6.950 -0.528 154 HB3 GLU 37 2HB GLU 37 12.592 5.908 0.413 155 HG2 GLU 37 1HG GLU 37 14.533 6.888 -0.738 156 HG3 GLU 37 2HG GLU 37 13.447 7.966 -1.609 157 H ALA 38 H ALA 38 9.960 5.112 -2.145 158 HA ALA 38 HA ALA 38 9.348 2.915 -0.476 159 HB1 ALA 38 1HB ALA 38 7.245 2.794 -1.697 160 HB2 ALA 38 2HB ALA 38 7.894 3.846 -2.955 161 HB3 ALA 38 3HB ALA 38 7.643 4.471 -1.324 162 H ARG 39 H ARG 39 10.131 3.149 -3.930 163 HA ARG 39 HA ARG 39 9.908 0.396 -4.497 164 HB2 ARG 39 1HB ARG 39 11.301 2.680 -5.831 165 HB3 ARG 39 2HB ARG 39 11.600 1.039 -6.380 166 HG2 ARG 39 1HG ARG 39 9.084 0.816 -6.617 167 HG3 ARG 39 2HG ARG 39 9.023 2.569 -6.409 168 HD2 ARG 39 1HD ARG 39 9.074 1.842 -8.787 169 HD3 ARG 39 2HD ARG 39 10.407 2.906 -8.337 170 HE ARG 39 HE ARG 39 11.487 0.468 -7.972 171 HH11 ARG 39 1HH1 ARG 39 9.690 1.816 -10.662 172 HH12 ARG 39 2HH1 ARG 39 10.548 0.891 -11.850 173 HH21 ARG 39 1HH2 ARG 39 12.613 -0.738 -9.520 174 HH22 ARG 39 2HH2 ARG 39 12.228 -0.552 -11.207 175 H LYS 40 H LYS 40 12.662 2.377 -3.482 176 HA LYS 40 HA LYS 40 14.658 0.443 -3.755 177 HB2 LYS 40 1HB LYS 40 14.470 2.648 -1.692 178 HB3 LYS 40 2HB LYS 40 15.928 1.746 -2.082 179 HG2 LYS 40 1HG LYS 40 14.406 3.558 -3.946 180 HG3 LYS 40 2HG LYS 40 15.944 3.917 -3.158 181 HD2 LYS 40 1HD LYS 40 17.013 2.100 -4.372 182 HD3 LYS 40 2HD LYS 40 15.472 1.668 -5.114 183 HE2 LYS 40 1HE LYS 40 15.389 3.887 -6.178 184 HE3 LYS 40 2HE LYS 40 16.963 4.264 -5.477 185 HZ1 LYS 40 1HZ LYS 40 16.459 1.995 -7.324 186 HZ2 LYS 40 2HZ LYS 40 17.961 2.528 -6.756 187 HZ3 LYS 40 3HZ LYS 40 17.062 3.499 -7.809 188 H MET 41 H MET 41 12.466 1.105 -1.080 189 HA MET 41 HA MET 41 13.544 -0.893 0.648 190 HB2 MET 41 1HB MET 41 10.949 0.634 0.625 191 HB3 MET 41 2HB MET 41 11.326 -0.560 1.858 192 HG2 MET 41 1HG MET 41 12.965 1.886 1.258 193 HG3 MET 41 2HG MET 41 11.795 1.738 2.565 194 HE1 MET 41 1HE MET 41 12.374 -1.368 3.446 195 HE2 MET 41 2HE MET 41 12.014 -0.020 4.523 196 HE3 MET 41 3HE MET 41 13.436 -1.021 4.812 197 H ALA 42 H ALA 42 10.888 -0.785 -1.663 198 HA ALA 42 HA ALA 42 9.793 -3.309 -1.042 199 HB1 ALA 42 1HB ALA 42 8.635 -3.133 -3.175 200 HB2 ALA 42 2HB ALA 42 9.692 -1.806 -3.653 201 HB3 ALA 42 3HB ALA 42 8.575 -1.601 -2.304 202 H GLU 43 H GLU 43 11.884 -2.341 -3.767 203 HA GLU 43 HA GLU 43 12.254 -4.952 -4.752 204 HB2 GLU 43 1HB GLU 43 13.986 -2.498 -5.079 205 HB3 GLU 43 2HB GLU 43 14.139 -3.967 -6.032 206 HG2 GLU 43 1HG GLU 43 11.906 -3.646 -6.930 207 HG3 GLU 43 2HG GLU 43 11.696 -2.207 -5.934 208 H LYS 44 H LYS 44 13.756 -3.230 -2.166 209 HA LYS 44 HA LYS 44 16.156 -4.619 -1.859 210 HB2 LYS 44 1HB LYS 44 15.608 -2.629 -0.559 211 HB3 LYS 44 2HB LYS 44 14.301 -3.484 0.242 212 HG2 LYS 44 1HG LYS 44 15.929 -4.989 1.281 213 HG3 LYS 44 2HG LYS 44 17.234 -4.102 0.493 214 HD2 LYS 44 1HD LYS 44 16.542 -2.061 1.674 215 HD3 LYS 44 2HD LYS 44 15.264 -2.973 2.480 216 HE2 LYS 44 1HE LYS 44 17.175 -2.733 3.951 217 HE3 LYS 44 2HE LYS 44 16.961 -4.423 3.501 218 HZ1 LYS 44 1HZ LYS 44 18.722 -4.186 1.879 219 HZ2 LYS 44 2HZ LYS 44 19.283 -3.745 3.408 220 HZ3 LYS 44 3HZ LYS 44 18.912 -2.554 2.270 221 H ALA 45 H ALA 45 12.903 -5.375 -0.694 222 HA ALA 45 HA ALA 45 13.872 -7.998 0.217 223 HB1 ALA 45 1HB ALA 45 11.786 -8.117 1.507 224 HB2 ALA 45 2HB ALA 45 11.319 -6.534 0.883 225 HB3 ALA 45 3HB ALA 45 12.737 -6.690 1.918 226 H ASN 46 H ASN 46 12.968 -6.870 -2.534 227 HA ASN 46 HA ASN 46 11.987 -7.652 -4.422 228 HB2 ASN 46 1HB ASN 46 12.155 -10.190 -2.825 229 HB3 ASN 46 2HB ASN 46 11.362 -10.173 -4.394 230 HD21 ASN 46 1HD2 ASN 46 14.102 -8.119 -3.706 231 HD22 ASN 46 2HD2 ASN 46 15.225 -8.965 -4.708 232 H LEU 47 H LEU 47 10.381 -6.273 -2.672 233 HA LEU 47 HA LEU 47 7.797 -7.639 -2.654 234 HB2 LEU 47 1HB LEU 47 8.315 -4.780 -1.855 235 HB3 LEU 47 2HB LEU 47 6.984 -5.811 -1.371 236 HG LEU 47 HG LEU 47 9.849 -6.022 -0.451 237 HD11 LEU 47 1HD1 LEU 47 7.321 -5.284 1.007 238 HD12 LEU 47 2HD1 LEU 47 8.627 -4.187 0.559 239 HD13 LEU 47 3HD1 LEU 47 8.915 -5.468 1.736 240 HD21 LEU 47 1HD2 LEU 47 9.129 -7.833 0.975 241 HD22 LEU 47 2HD2 LEU 47 8.796 -8.241 -0.707 242 HD23 LEU 47 3HD2 LEU 47 7.488 -7.712 0.347 243 H GLU 48 H GLU 48 6.027 -6.896 -3.893 244 HA GLU 48 HA GLU 48 6.875 -5.581 -6.326 245 HB2 GLU 48 1HB GLU 48 4.564 -6.150 -7.131 246 HB3 GLU 48 2HB GLU 48 5.578 -7.519 -6.707 247 HG2 GLU 48 1HG GLU 48 4.401 -7.539 -4.477 248 HG3 GLU 48 2HG GLU 48 3.265 -6.380 -5.171 249 H LEU 49 H LEU 49 7.106 -3.503 -6.052 250 HA LEU 49 HA LEU 49 5.122 -1.877 -4.691 251 HB2 LEU 49 1HB LEU 49 7.679 -1.591 -4.594 252 HB3 LEU 49 2HB LEU 49 7.557 -0.951 -6.217 253 HG LEU 49 HG LEU 49 7.750 0.806 -4.506 254 HD11 LEU 49 1HD1 LEU 49 5.094 0.800 -5.909 255 HD12 LEU 49 2HD1 LEU 49 6.632 1.329 -6.593 256 HD13 LEU 49 3HD1 LEU 49 5.913 2.214 -5.247 257 HD21 LEU 49 1HD2 LEU 49 6.592 -0.342 -2.690 258 HD22 LEU 49 2HD2 LEU 49 5.064 -0.157 -3.554 259 HD23 LEU 49 3HD2 LEU 49 5.930 1.267 -2.979 260 H ILE 50 H ILE 50 3.381 -1.200 -5.775 261 HA ILE 50 HA ILE 50 3.667 -0.583 -8.645 262 HB ILE 50 HB ILE 50 1.297 -1.968 -7.367 263 HG12 ILE 50 1HG1 ILE 50 3.265 -3.445 -7.722 264 HG13 ILE 50 2HG1 ILE 50 1.890 -3.893 -8.724 265 HG21 ILE 50 1HG2 ILE 50 0.327 -2.037 -9.571 266 HG22 ILE 50 2HG2 ILE 50 1.748 -1.255 -10.260 267 HG23 ILE 50 3HG2 ILE 50 0.704 -0.366 -9.152 268 HD11 ILE 50 1HD1 ILE 50 3.943 -4.052 -9.982 269 HD12 ILE 50 2HD1 ILE 50 4.326 -2.370 -9.619 270 HD13 ILE 50 3HD1 ILE 50 2.935 -2.760 -10.632 271 H THR 51 H THR 51 2.794 1.304 -9.290 272 HA THR 51 HA THR 51 1.437 2.940 -7.259 273 HB THR 51 HB THR 51 2.022 4.839 -8.845 274 HG1 THR 51 HG1 THR 51 2.371 3.442 -10.688 275 HG21 THR 51 1HG2 THR 51 4.187 3.182 -7.567 276 HG22 THR 51 2HG2 THR 51 3.396 4.629 -6.935 277 HG23 THR 51 3HG2 THR 51 4.499 4.755 -8.301 278 H VAL 52 H VAL 52 -0.776 2.481 -7.493 279 HA VAL 52 HA VAL 52 -1.873 3.002 -10.194 280 HB VAL 52 HB VAL 52 -3.119 1.222 -8.085 281 HG11 VAL 52 1HG1 VAL 52 -4.637 0.531 -9.859 282 HG12 VAL 52 2HG1 VAL 52 -3.868 1.663 -10.971 283 HG13 VAL 52 3HG1 VAL 52 -4.746 2.265 -9.564 284 HG21 VAL 52 1HG2 VAL 52 -2.545 -0.645 -9.613 285 HG22 VAL 52 2HG2 VAL 52 -1.142 0.136 -8.887 286 HG23 VAL 52 3HG2 VAL 52 -1.574 0.481 -10.562 287 HA PRO 53 HA PRO 53 -4.022 6.049 -7.546 288 HB2 PRO 53 1HB PRO 53 -3.172 8.289 -8.715 289 HB3 PRO 53 2HB PRO 53 -2.184 7.437 -7.524 290 HG2 PRO 53 1HG PRO 53 -1.895 7.568 -10.474 291 HG3 PRO 53 2HG PRO 53 -0.649 7.393 -9.229 292 HD2 PRO 53 1HD PRO 53 -1.813 5.336 -10.803 293 HD3 PRO 53 2HD PRO 53 -0.694 5.143 -9.440 294 H GLY 54 H GLY 54 -6.104 5.412 -8.499 295 HA2 GLY 54 1HA GLY 54 -6.735 7.484 -10.517 296 HA3 GLY 54 2HA GLY 54 -7.579 5.940 -10.492 297 H SER 55 H SER 55 -8.320 5.453 -8.105 298 HA SER 55 HA SER 55 -9.253 7.892 -6.773 299 HB2 SER 55 1HB SER 55 -10.564 5.158 -6.730 300 HB3 SER 55 2HB SER 55 -11.144 6.599 -5.894 301 HG SER 55 HG SER 55 -10.745 6.544 -8.697 302 HA PRO 56 HA PRO 56 -7.143 6.226 -3.099 303 HB2 PRO 56 1HB PRO 56 -9.626 6.402 -1.523 304 HB3 PRO 56 2HB PRO 56 -8.067 7.189 -1.249 305 HG2 PRO 56 1HG PRO 56 -10.251 8.534 -2.096 306 HG3 PRO 56 2HG PRO 56 -8.602 8.998 -2.544 307 HD2 PRO 56 1HD PRO 56 -10.686 7.622 -4.156 308 HD3 PRO 56 2HD PRO 56 -9.424 8.756 -4.667 309 H GLU 57 H GLU 57 -10.551 5.225 -3.419 310 HA GLU 57 HA GLU 57 -10.258 2.667 -2.281 311 HB2 GLU 57 1HB GLU 57 -12.291 3.776 -4.208 312 HB3 GLU 57 2HB GLU 57 -12.397 2.158 -3.533 313 HG2 GLU 57 1HG GLU 57 -12.550 3.073 -1.296 314 HG3 GLU 57 2HG GLU 57 -12.371 4.708 -1.937 315 H GLU 58 H GLU 58 -9.489 3.867 -5.424 316 HA GLU 58 HA GLU 58 -9.780 1.589 -7.003 317 HB2 GLU 58 1HB GLU 58 -9.241 3.905 -7.807 318 HB3 GLU 58 2HB GLU 58 -7.590 3.656 -7.261 319 HG2 GLU 58 1HG GLU 58 -7.618 3.250 -9.583 320 HG3 GLU 58 2HG GLU 58 -7.484 1.678 -8.796 321 H ALA 59 H ALA 59 -6.918 2.742 -5.245 322 HA ALA 59 HA ALA 59 -5.292 0.519 -5.851 323 HB1 ALA 59 1HB ALA 59 -5.092 2.425 -3.523 324 HB2 ALA 59 2HB ALA 59 -4.388 2.675 -5.119 325 HB3 ALA 59 3HB ALA 59 -3.818 1.353 -4.101 326 H ILE 60 H ILE 60 -7.641 1.140 -3.329 327 HA ILE 60 HA ILE 60 -6.828 -0.972 -1.597 328 HB ILE 60 HB ILE 60 -9.659 0.023 -1.703 329 HG12 ILE 60 1HG1 ILE 60 -8.389 2.069 -1.793 330 HG13 ILE 60 2HG1 ILE 60 -8.972 1.862 -0.146 331 HG21 ILE 60 1HG2 ILE 60 -7.841 -0.842 0.541 332 HG22 ILE 60 2HG2 ILE 60 -9.151 -1.782 -0.174 333 HG23 ILE 60 3HG2 ILE 60 -9.512 -0.310 0.727 334 HD11 ILE 60 1HD1 ILE 60 -6.710 2.669 -0.141 335 HD12 ILE 60 2HD1 ILE 60 -6.196 1.318 -1.147 336 HD13 ILE 60 3HD1 ILE 60 -6.755 1.029 0.498 337 H ARG 61 H ARG 61 -9.331 -0.643 -4.071 338 HA ARG 61 HA ARG 61 -10.347 -3.281 -3.783 339 HB2 ARG 61 1HB ARG 61 -10.528 -1.384 -6.131 340 HB3 ARG 61 2HB ARG 61 -11.494 -2.837 -5.920 341 HG2 ARG 61 1HG ARG 61 -12.521 -1.898 -3.936 342 HG3 ARG 61 2HG ARG 61 -11.509 -0.461 -4.073 343 HD2 ARG 61 1HD ARG 61 -12.536 -0.063 -6.321 344 HD3 ARG 61 2HD ARG 61 -13.654 -1.383 -5.978 345 HE ARG 61 HE ARG 61 -13.697 0.485 -3.868 346 HH11 ARG 61 1HH1 ARG 61 -14.783 0.068 -7.162 347 HH12 ARG 61 2HH1 ARG 61 -16.087 1.201 -7.013 348 HH21 ARG 61 1HH2 ARG 61 -15.412 1.974 -3.654 349 HH22 ARG 61 2HH2 ARG 61 -16.449 2.283 -5.013 350 H LEU 62 H LEU 62 -7.787 -1.834 -5.670 351 HA LEU 62 HA LEU 62 -7.238 -4.038 -7.360 352 HB2 LEU 62 1HB LEU 62 -6.296 -1.491 -7.143 353 HB3 LEU 62 2HB LEU 62 -4.969 -2.381 -6.428 354 HG LEU 62 HG LEU 62 -4.512 -1.982 -8.761 355 HD11 LEU 62 1HD1 LEU 62 -4.158 -4.264 -9.557 356 HD12 LEU 62 2HD1 LEU 62 -5.231 -4.867 -8.294 357 HD13 LEU 62 3HD1 LEU 62 -3.711 -4.086 -7.860 358 HD21 LEU 62 1HD2 LEU 62 -7.098 -3.417 -9.326 359 HD22 LEU 62 2HD2 LEU 62 -5.928 -2.882 -10.532 360 HD23 LEU 62 3HD2 LEU 62 -6.788 -1.696 -9.552 361 H ALA 63 H ALA 63 -6.045 -3.020 -4.198 362 HA ALA 63 HA ALA 63 -4.239 -5.090 -3.688 363 HB1 ALA 63 1HB ALA 63 -4.365 -3.093 -2.314 364 HB2 ALA 63 2HB ALA 63 -4.584 -4.528 -1.314 365 HB3 ALA 63 3HB ALA 63 -5.977 -3.548 -1.764 366 H GLN 64 H GLN 64 -7.670 -4.804 -2.841 367 HA GLN 64 HA GLN 64 -8.036 -7.282 -1.633 368 HB2 GLN 64 1HB GLN 64 -9.662 -5.402 -1.637 369 HB3 GLN 64 2HB GLN 64 -10.001 -5.718 -3.328 370 HG2 GLN 64 1HG GLN 64 -10.412 -7.876 -1.308 371 HG3 GLN 64 2HG GLN 64 -11.600 -6.586 -1.474 372 HE21 GLN 64 1HE2 GLN 64 -12.680 -6.350 -3.467 373 HE22 GLN 64 2HE2 GLN 64 -12.833 -7.676 -4.565 374 H GLU 65 H GLU 65 -8.403 -6.351 -5.037 375 HA GLU 65 HA GLU 65 -9.180 -8.798 -6.101 376 HB2 GLU 65 1HB GLU 65 -9.192 -6.697 -7.360 377 HB3 GLU 65 2HB GLU 65 -7.434 -6.665 -7.344 378 HG2 GLU 65 1HG GLU 65 -7.366 -8.687 -8.687 379 HG3 GLU 65 2HG GLU 65 -9.127 -8.769 -8.671 380 H ILE 66 H ILE 66 -5.868 -7.501 -5.789 381 HA ILE 66 HA ILE 66 -4.581 -9.765 -6.838 382 HB ILE 66 HB ILE 66 -3.507 -7.741 -4.870 383 HG12 ILE 66 1HG1 ILE 66 -3.251 -7.918 -7.883 384 HG13 ILE 66 2HG1 ILE 66 -4.279 -6.782 -7.014 385 HG21 ILE 66 1HG2 ILE 66 -1.285 -8.474 -5.652 386 HG22 ILE 66 2HG2 ILE 66 -2.055 -9.756 -6.586 387 HG23 ILE 66 3HG2 ILE 66 -2.164 -9.761 -4.826 388 HD11 ILE 66 1HD1 ILE 66 -1.277 -6.907 -6.845 389 HD12 ILE 66 2HD1 ILE 66 -2.320 -5.742 -6.030 390 HD13 ILE 66 3HD1 ILE 66 -2.210 -5.747 -7.790 391 H ALA 67 H ALA 67 -5.383 -8.894 -3.496 392 HA ALA 67 HA ALA 67 -4.061 -11.067 -2.279 393 HB1 ALA 67 1HB ALA 67 -5.362 -10.519 -0.300 394 HB2 ALA 67 2HB ALA 67 -6.434 -9.509 -1.270 395 HB3 ALA 67 3HB ALA 67 -4.742 -9.057 -1.065 396 H GLU 68 H GLU 68 -7.360 -10.674 -3.469 397 HA GLU 68 HA GLU 68 -8.364 -13.150 -2.529 398 HB2 GLU 68 1HB GLU 68 -9.847 -11.340 -3.201 399 HB3 GLU 68 2HB GLU 68 -9.226 -11.405 -4.843 400 HG2 GLU 68 1HG GLU 68 -11.331 -12.472 -4.852 401 HG3 GLU 68 2HG GLU 68 -10.113 -13.738 -4.993 402 H LYS 69 H LYS 69 -6.981 -12.140 -5.630 403 HA LYS 69 HA LYS 69 -7.428 -14.717 -6.823 404 HB2 LYS 69 1HB LYS 69 -5.818 -12.383 -7.860 405 HB3 LYS 69 2HB LYS 69 -6.379 -13.760 -8.799 406 HG2 LYS 69 1HG LYS 69 -8.155 -11.740 -7.442 407 HG3 LYS 69 2HG LYS 69 -7.750 -11.754 -9.156 408 HD2 LYS 69 1HD LYS 69 -8.837 -13.905 -9.423 409 HD3 LYS 69 2HD LYS 69 -9.155 -13.986 -7.691 410 HE2 LYS 69 1HE LYS 69 -11.162 -13.304 -8.836 411 HE3 LYS 69 2HE LYS 69 -10.545 -11.954 -7.888 412 HZ1 LYS 69 1HZ LYS 69 -9.522 -11.100 -9.957 413 HZ2 LYS 69 2HZ LYS 69 -11.208 -11.157 -10.016 414 HZ3 LYS 69 3HZ LYS 69 -10.297 -12.331 -10.821 415 H ALA 70 H ALA 70 -5.060 -13.466 -4.804 416 HA ALA 70 HA ALA 70 -2.813 -14.901 -5.857 417 HB1 ALA 70 1HB ALA 70 -1.662 -14.218 -3.845 418 HB2 ALA 70 2HB ALA 70 -3.184 -13.692 -3.127 419 HB3 ALA 70 3HB ALA 70 -2.537 -12.850 -4.537 420 HA PRO 71 HA PRO 71 -3.897 -18.774 -3.872 421 HB2 PRO 71 1HB PRO 71 -1.273 -19.688 -4.774 422 HB3 PRO 71 2HB PRO 71 -2.874 -20.239 -5.270 423 HG2 PRO 71 1HG PRO 71 -1.272 -18.854 -6.929 424 HG3 PRO 71 2HG PRO 71 -3.038 -18.689 -6.951 425 HD2 PRO 71 1HD PRO 71 -1.002 -16.904 -5.664 426 HD3 PRO 71 2HD PRO 71 -2.405 -16.472 -6.667 427 H GLY 72 H GLY 72 -3.738 -18.445 -1.717 428 HA2 GLY 72 1HA GLY 72 -2.627 -19.533 0.129 429 HA3 GLY 72 2HA GLY 72 -1.094 -19.091 -0.597 430 HA PRO 73 HA PRO 73 -2.098 -16.157 2.883 431 HB2 PRO 73 1HB PRO 73 0.741 -16.588 3.526 432 HB3 PRO 73 2HB PRO 73 -0.680 -16.745 4.564 433 HG2 PRO 73 1HG PRO 73 0.697 -18.893 3.731 434 HG3 PRO 73 2HG PRO 73 -1.065 -18.934 3.933 435 HD2 PRO 73 1HD PRO 73 0.548 -18.640 1.424 436 HD3 PRO 73 2HD PRO 73 -0.902 -19.622 1.721 437 H VAL 74 H VAL 74 -2.108 -14.130 2.207 438 HA VAL 74 HA VAL 74 0.380 -12.998 1.129 439 HB VAL 74 HB VAL 74 -1.007 -11.498 -0.309 440 HG11 VAL 74 1HG1 VAL 74 0.129 -13.543 -1.142 441 HG12 VAL 74 2HG1 VAL 74 -1.294 -13.081 -2.073 442 HG13 VAL 74 3HG1 VAL 74 -1.385 -14.420 -0.926 443 HG21 VAL 74 1HG2 VAL 74 -3.135 -11.669 0.814 444 HG22 VAL 74 2HG2 VAL 74 -3.208 -13.398 0.483 445 HG23 VAL 74 3HG2 VAL 74 -3.307 -12.244 -0.844 446 H LYS 75 H LYS 75 0.477 -10.642 1.314 447 HA LYS 75 HA LYS 75 -1.270 -9.427 3.294 448 HB2 LYS 75 1HB LYS 75 0.584 -10.462 4.575 449 HB3 LYS 75 2HB LYS 75 1.736 -9.526 3.638 450 HG2 LYS 75 1HG LYS 75 0.823 -7.462 4.541 451 HG3 LYS 75 2HG LYS 75 -0.377 -8.380 5.454 452 HD2 LYS 75 1HD LYS 75 2.615 -8.628 5.775 453 HD3 LYS 75 2HD LYS 75 1.553 -7.706 6.840 454 HE2 LYS 75 1HE LYS 75 0.413 -9.687 7.533 455 HE3 LYS 75 2HE LYS 75 1.232 -10.653 6.312 456 HZ1 LYS 75 1HZ LYS 75 3.326 -10.229 7.460 457 HZ2 LYS 75 2HZ LYS 75 2.213 -11.016 8.459 458 HZ3 LYS 75 3HZ LYS 75 2.509 -9.362 8.662 459 H VAL 76 H VAL 76 -1.950 -7.730 2.158 460 HA VAL 76 HA VAL 76 -0.077 -6.432 0.328 461 HB VAL 76 HB VAL 76 -3.067 -6.056 0.488 462 HG11 VAL 76 1HG1 VAL 76 -2.735 -5.143 -1.821 463 HG12 VAL 76 2HG1 VAL 76 -0.999 -5.182 -1.517 464 HG13 VAL 76 3HG1 VAL 76 -2.044 -4.164 -0.529 465 HG21 VAL 76 1HG2 VAL 76 -2.587 -8.351 -0.114 466 HG22 VAL 76 2HG2 VAL 76 -1.448 -7.818 -1.348 467 HG23 VAL 76 3HG2 VAL 76 -3.167 -7.474 -1.530 468 H LEU 77 H LEU 77 0.735 -4.517 0.767 469 HA LEU 77 HA LEU 77 -0.459 -2.904 2.916 470 HB2 LEU 77 1HB LEU 77 1.831 -3.600 3.366 471 HB3 LEU 77 2HB LEU 77 2.354 -2.970 1.817 472 HG LEU 77 HG LEU 77 1.791 -0.681 2.587 473 HD11 LEU 77 1HD1 LEU 77 1.366 -0.292 4.959 474 HD12 LEU 77 2HD1 LEU 77 1.302 -2.033 5.237 475 HD13 LEU 77 3HD1 LEU 77 0.083 -1.255 4.227 476 HD21 LEU 77 1HD2 LEU 77 3.676 -0.462 4.139 477 HD22 LEU 77 2HD2 LEU 77 4.069 -1.504 2.771 478 HD23 LEU 77 3HD2 LEU 77 3.702 -2.213 4.345 479 H VAL 78 H VAL 78 -1.601 -1.221 2.208 480 HA VAL 78 HA VAL 78 -0.908 -0.063 -0.407 481 HB VAL 78 HB VAL 78 -3.484 0.263 1.138 482 HG11 VAL 78 1HG1 VAL 78 -2.726 1.056 -1.672 483 HG12 VAL 78 2HG1 VAL 78 -3.018 2.148 -0.318 484 HG13 VAL 78 3HG1 VAL 78 -4.339 1.185 -0.975 485 HG21 VAL 78 1HG2 VAL 78 -2.859 -1.491 -1.234 486 HG22 VAL 78 2HG2 VAL 78 -4.466 -1.221 -0.560 487 HG23 VAL 78 3HG2 VAL 78 -3.232 -2.036 0.402 488 H LEU 79 H LEU 79 -0.227 1.984 -0.551 489 HA LEU 79 HA LEU 79 -0.067 3.513 1.963 490 HB2 LEU 79 1HB LEU 79 1.804 3.664 -0.400 491 HB3 LEU 79 2HB LEU 79 1.989 4.491 1.134 492 HG LEU 79 HG LEU 79 2.167 1.508 0.695 493 HD11 LEU 79 1HD1 LEU 79 4.524 1.810 1.283 494 HD12 LEU 79 2HD1 LEU 79 4.276 3.554 1.364 495 HD13 LEU 79 3HD1 LEU 79 4.093 2.708 -0.172 496 HD21 LEU 79 1HD2 LEU 79 2.859 1.406 3.042 497 HD22 LEU 79 2HD2 LEU 79 1.213 2.015 2.877 498 HD23 LEU 79 3HD2 LEU 79 2.537 3.131 3.211 499 H ILE 80 H ILE 80 -1.708 4.930 1.863 500 HA ILE 80 HA ILE 80 -2.222 6.411 -0.600 501 HB ILE 80 HB ILE 80 -3.590 6.549 2.099 502 HG12 ILE 80 1HG1 ILE 80 -4.448 5.302 -0.520 503 HG13 ILE 80 2HG1 ILE 80 -3.953 4.428 0.925 504 HG21 ILE 80 1HG2 ILE 80 -3.757 8.681 0.938 505 HG22 ILE 80 2HG2 ILE 80 -5.319 7.861 0.952 506 HG23 ILE 80 3HG2 ILE 80 -4.337 7.861 -0.513 507 HD11 ILE 80 1HD1 ILE 80 -5.875 5.321 2.124 508 HD12 ILE 80 2HD1 ILE 80 -6.362 4.437 0.679 509 HD13 ILE 80 3HD1 ILE 80 -6.370 6.199 0.677 510 H THR 81 H THR 81 -1.930 8.651 -0.772 511 HA THR 81 HA THR 81 0.427 9.548 0.527 512 HB THR 81 HB THR 81 0.103 11.611 -0.817 513 HG1 THR 81 HG1 THR 81 -1.691 11.858 -2.053 514 HG21 THR 81 1HG2 THR 81 1.290 9.701 -1.748 515 HG22 THR 81 2HG2 THR 81 0.356 10.517 -3.001 516 HG23 THR 81 3HG2 THR 81 -0.231 9.009 -2.304 517 H GLY 82 H GLY 82 0.663 11.629 1.616 518 HA2 GLY 82 1HA GLY 82 -0.757 11.670 3.975 519 HA3 GLY 82 2HA GLY 82 0.211 13.006 3.384 520 H SER 83 H SER 83 -1.179 13.954 1.254 521 HA SER 83 HA SER 83 -3.493 15.040 2.660 522 HB2 SER 83 1HB SER 83 -2.192 15.988 0.100 523 HB3 SER 83 2HB SER 83 -3.397 16.857 1.052 524 HG SER 83 HG SER 83 -1.301 16.124 2.588 525 H ALA 84 H ALA 84 -4.993 13.418 2.380 526 HA ALA 84 HA ALA 84 -6.064 13.126 -0.344 527 HB1 ALA 84 1HB ALA 84 -7.453 11.347 0.561 528 HB2 ALA 84 2HB ALA 84 -6.855 11.677 2.185 529 HB3 ALA 84 3HB ALA 84 -5.760 11.047 0.956 530 H ASP 85 H ASP 85 -8.351 13.599 -0.665 531 HA ASP 85 HA ASP 85 -9.260 15.891 0.783 532 HB2 ASP 85 1HB ASP 85 -9.839 15.513 -1.590 533 HB3 ASP 85 2HB ASP 85 -10.766 14.090 -1.135 534 HA PRO 86 HA PRO 86 -11.180 14.261 4.437 535 HB2 PRO 86 1HB PRO 86 -13.568 15.691 3.316 536 HB3 PRO 86 2HB PRO 86 -12.977 15.639 4.981 537 HG2 PRO 86 1HG PRO 86 -12.449 17.729 3.415 538 HG3 PRO 86 2HG PRO 86 -11.240 17.111 4.554 539 HD2 PRO 86 1HD PRO 86 -11.301 16.944 1.605 540 HD3 PRO 86 2HD PRO 86 -9.920 16.846 2.715 541 H ASP 87 H ASP 87 -13.261 14.193 1.526 542 HA ASP 87 HA ASP 87 -14.837 12.016 2.511 543 HB2 ASP 87 1HB ASP 87 -14.632 13.172 -0.275 544 HB3 ASP 87 2HB ASP 87 -15.824 11.981 0.234 545 H GLU 88 H GLU 88 -12.004 12.304 0.496 546 HA GLU 88 HA GLU 88 -11.998 9.659 -0.515 547 HB2 GLU 88 1HB GLU 88 -9.757 11.634 -0.066 548 HB3 GLU 88 2HB GLU 88 -9.524 10.069 -0.833 549 HG2 GLU 88 1HG GLU 88 -11.184 10.733 -2.554 550 HG3 GLU 88 2HG GLU 88 -11.232 12.337 -1.827 551 H LYS 89 H LYS 89 -10.713 11.159 2.401 552 HA LYS 89 HA LYS 89 -9.410 8.891 3.447 553 HB2 LYS 89 1HB LYS 89 -10.623 11.327 4.733 554 HB3 LYS 89 2HB LYS 89 -9.904 10.047 5.698 555 HG2 LYS 89 1HG LYS 89 -8.456 11.583 3.550 556 HG3 LYS 89 2HG LYS 89 -8.385 11.949 5.274 557 HD2 LYS 89 1HD LYS 89 -7.557 9.608 5.641 558 HD3 LYS 89 2HD LYS 89 -7.438 9.443 3.890 559 HE2 LYS 89 1HE LYS 89 -5.275 10.015 4.782 560 HE3 LYS 89 2HE LYS 89 -5.894 11.376 3.852 561 HZ1 LYS 89 1HZ LYS 89 -4.922 12.144 5.900 562 HZ2 LYS 89 2HZ LYS 89 -5.915 11.122 6.810 563 HZ3 LYS 89 3HZ LYS 89 -6.590 12.409 5.945 564 H THR 90 H THR 90 -12.742 10.048 3.731 565 HA THR 90 HA THR 90 -13.692 8.141 5.545 566 HB THR 90 HB THR 90 -15.297 9.329 3.274 567 HG1 THR 90 HG1 THR 90 -14.438 10.456 5.737 568 HG21 THR 90 1HG2 THR 90 -16.431 7.594 4.583 569 HG22 THR 90 2HG2 THR 90 -17.152 9.179 4.866 570 HG23 THR 90 3HG2 THR 90 -16.070 8.475 6.068 571 H LYS 91 H LYS 91 -13.641 8.115 1.997 572 HA LYS 91 HA LYS 91 -14.946 5.623 1.712 573 HB2 LYS 91 1HB LYS 91 -13.141 7.108 -0.201 574 HB3 LYS 91 2HB LYS 91 -14.150 5.734 -0.631 575 HG2 LYS 91 1HG LYS 91 -16.147 6.995 -0.095 576 HG3 LYS 91 2HG LYS 91 -15.164 8.365 0.427 577 HD2 LYS 91 1HD LYS 91 -14.248 8.541 -1.853 578 HD3 LYS 91 2HD LYS 91 -15.296 7.214 -2.358 579 HE2 LYS 91 1HE LYS 91 -17.261 8.543 -1.743 580 HE3 LYS 91 2HE LYS 91 -16.206 9.869 -1.253 581 HZ1 LYS 91 1HZ LYS 91 -17.029 10.280 -3.447 582 HZ2 LYS 91 2HZ LYS 91 -16.514 8.767 -3.991 583 HZ3 LYS 91 3HZ LYS 91 -15.375 9.939 -3.561 584 H ALA 92 H ALA 92 -11.532 6.538 1.824 585 HA ALA 92 HA ALA 92 -10.546 3.959 1.134 586 HB1 ALA 92 1HB ALA 92 -8.374 4.817 1.867 587 HB2 ALA 92 2HB ALA 92 -9.168 6.233 2.558 588 HB3 ALA 92 3HB ALA 92 -9.202 5.967 0.815 589 H LYS 93 H LYS 93 -11.253 5.609 4.153 590 HA LYS 93 HA LYS 93 -10.043 3.847 5.936 591 HB2 LYS 93 1HB LYS 93 -10.941 6.044 6.573 592 HB3 LYS 93 2HB LYS 93 -12.573 5.453 6.306 593 HG2 LYS 93 1HG LYS 93 -12.227 3.795 8.105 594 HG3 LYS 93 2HG LYS 93 -10.640 4.502 8.409 595 HD2 LYS 93 1HD LYS 93 -12.219 5.412 9.983 596 HD3 LYS 93 2HD LYS 93 -11.747 6.677 8.848 597 HE2 LYS 93 1HE LYS 93 -13.808 6.246 7.561 598 HE3 LYS 93 2HE LYS 93 -14.282 5.049 8.764 599 HZ1 LYS 93 1HZ LYS 93 -14.283 6.816 10.432 600 HZ2 LYS 93 2HZ LYS 93 -15.369 7.139 9.176 601 HZ3 LYS 93 3HZ LYS 93 -13.886 7.949 9.241 602 H LYS 94 H LYS 94 -13.344 3.857 4.646 603 HA LYS 94 HA LYS 94 -14.250 1.558 6.003 604 HB2 LYS 94 1HB LYS 94 -15.148 2.713 3.359 605 HB3 LYS 94 2HB LYS 94 -16.019 1.485 4.264 606 HG2 LYS 94 1HG LYS 94 -16.314 3.062 6.112 607 HG3 LYS 94 2HG LYS 94 -15.460 4.297 5.184 608 HD2 LYS 94 1HD LYS 94 -18.002 2.928 4.302 609 HD3 LYS 94 2HD LYS 94 -17.926 4.516 5.065 610 HE2 LYS 94 1HE LYS 94 -16.607 5.369 3.217 611 HE3 LYS 94 2HE LYS 94 -16.575 3.774 2.473 612 HZ1 LYS 94 1HZ LYS 94 -18.939 3.875 2.158 613 HZ2 LYS 94 2HZ LYS 94 -18.236 5.258 1.482 614 HZ3 LYS 94 3HZ LYS 94 -19.034 5.355 2.968 615 H ALA 95 H ALA 95 -12.877 2.015 2.778 616 HA ALA 95 HA ALA 95 -13.134 -0.638 1.901 617 HB1 ALA 95 1HB ALA 95 -11.592 -0.028 0.140 618 HB2 ALA 95 2HB ALA 95 -11.088 1.401 1.040 619 HB3 ALA 95 3HB ALA 95 -12.734 1.286 0.418 620 H ALA 96 H ALA 96 -10.656 0.979 3.770 621 HA ALA 96 HA ALA 96 -8.629 -0.959 3.565 622 HB1 ALA 96 1HB ALA 96 -9.185 0.950 5.830 623 HB2 ALA 96 2HB ALA 96 -8.231 1.305 4.391 624 HB3 ALA 96 3HB ALA 96 -7.670 0.095 5.544 625 H GLU 97 H GLU 97 -11.401 -0.674 5.717 626 HA GLU 97 HA GLU 97 -10.517 -2.898 7.342 627 HB2 GLU 97 1HB GLU 97 -13.113 -1.354 7.377 628 HB3 GLU 97 2HB GLU 97 -12.646 -2.575 8.552 629 HG2 GLU 97 1HG GLU 97 -11.395 0.113 8.082 630 HG3 GLU 97 2HG GLU 97 -12.211 -0.473 9.531 631 H GLU 98 H GLU 98 -12.644 -2.337 4.651 632 HA GLU 98 HA GLU 98 -13.974 -4.851 4.761 633 HB2 GLU 98 1HB GLU 98 -13.478 -2.971 2.451 634 HB3 GLU 98 2HB GLU 98 -14.508 -4.393 2.367 635 HG2 GLU 98 1HG GLU 98 -15.932 -3.437 4.126 636 HG3 GLU 98 2HG GLU 98 -14.919 -1.994 4.135 637 H ALA 99 H ALA 99 -11.227 -3.641 2.864 638 HA ALA 99 HA ALA 99 -10.642 -6.116 1.613 639 HB1 ALA 99 1HB ALA 99 -8.832 -3.746 2.056 640 HB2 ALA 99 2HB ALA 99 -9.935 -3.958 0.696 641 HB3 ALA 99 3HB ALA 99 -8.572 -5.057 0.905 642 H ARG 100 H ARG 100 -10.154 -5.016 4.763 643 HA ARG 100 HA ARG 100 -7.722 -6.156 5.494 644 HB2 ARG 100 1HB ARG 100 -8.959 -4.617 6.938 645 HB3 ARG 100 2HB ARG 100 -10.230 -5.812 7.149 646 HG2 ARG 100 1HG ARG 100 -8.782 -5.724 9.092 647 HG3 ARG 100 2HG ARG 100 -8.659 -7.291 8.289 648 HD2 ARG 100 1HD ARG 100 -6.628 -6.356 7.096 649 HD3 ARG 100 2HD ARG 100 -6.701 -5.010 8.234 650 HE ARG 100 HE ARG 100 -6.624 -6.946 9.962 651 HH11 ARG 100 1HH1 ARG 100 -4.880 -6.749 6.937 652 HH12 ARG 100 2HH1 ARG 100 -3.605 -7.804 7.455 653 HH21 ARG 100 1HH2 ARG 100 -4.948 -8.336 10.649 654 HH22 ARG 100 2HH2 ARG 100 -3.650 -8.714 9.560 655 H LYS 101 H LYS 101 -10.816 -7.639 4.900 656 HA LYS 101 HA LYS 101 -10.451 -10.079 6.250 657 HB2 LYS 101 1HB LYS 101 -11.991 -9.506 3.714 658 HB3 LYS 101 2HB LYS 101 -12.121 -10.984 4.654 659 HG2 LYS 101 1HG LYS 101 -12.959 -9.705 6.556 660 HG3 LYS 101 2HG LYS 101 -12.829 -8.221 5.610 661 HD2 LYS 101 1HD LYS 101 -14.425 -9.131 3.983 662 HD3 LYS 101 2HD LYS 101 -14.565 -10.600 4.948 663 HE2 LYS 101 1HE LYS 101 -16.432 -9.100 5.378 664 HE3 LYS 101 2HE LYS 101 -15.433 -9.284 6.818 665 HZ1 LYS 101 1HZ LYS 101 -15.219 -7.011 4.929 666 HZ2 LYS 101 2HZ LYS 101 -14.443 -7.167 6.424 667 HZ3 LYS 101 3HZ LYS 101 -16.120 -6.971 6.358 668 H TRP 102 H TRP 102 -9.093 -8.846 3.339 669 HA TRP 102 HA TRP 102 -8.117 -11.490 2.544 670 HB2 TRP 102 1HB TRP 102 -8.176 -8.834 1.101 671 HB3 TRP 102 2HB TRP 102 -7.370 -10.268 0.467 672 HD1 TRP 102 HD1 TRP 102 -8.851 -12.105 -0.645 673 HE1 TRP 102 HE1 TRP 102 -11.345 -12.251 -1.273 674 HE3 TRP 102 HE3 TRP 102 -10.573 -8.057 1.952 675 HZ2 TRP 102 HZ2 TRP 102 -13.719 -10.832 -0.734 676 HZ3 TRP 102 HZ3 TRP 102 -12.971 -7.519 1.841 677 HH2 TRP 102 HH2 TRP 102 -14.509 -8.880 0.525 678 H ASN 103 H ASN 103 -7.188 -9.777 4.827 679 HA ASN 103 HA ASN 103 -5.254 -9.375 5.931 680 HB2 ASN 103 1HB ASN 103 -4.010 -10.919 3.647 681 HB3 ASN 103 2HB ASN 103 -3.143 -10.413 5.094 682 HD21 ASN 103 1HD2 ASN 103 -5.481 -12.589 3.765 683 HD22 ASN 103 2HD2 ASN 103 -5.596 -13.628 5.141 684 H VAL 104 H VAL 104 -6.296 -7.567 3.842 685 HA VAL 104 HA VAL 104 -3.878 -6.196 2.950 686 HB VAL 104 HB VAL 104 -6.777 -5.467 2.478 687 HG11 VAL 104 1HG1 VAL 104 -5.294 -3.550 2.296 688 HG12 VAL 104 2HG1 VAL 104 -5.898 -4.019 0.707 689 HG13 VAL 104 3HG1 VAL 104 -4.254 -4.440 1.184 690 HG21 VAL 104 1HG2 VAL 104 -6.426 -6.353 0.208 691 HG22 VAL 104 2HG2 VAL 104 -6.270 -7.598 1.446 692 HG23 VAL 104 3HG2 VAL 104 -4.829 -6.920 0.692 693 H ARG 105 H ARG 105 -3.098 -4.389 3.902 694 HA ARG 105 HA ARG 105 -4.840 -2.987 5.806 695 HB2 ARG 105 1HB ARG 105 -3.393 -4.258 7.208 696 HB3 ARG 105 2HB ARG 105 -1.982 -3.840 6.248 697 HG2 ARG 105 1HG ARG 105 -2.157 -2.682 8.454 698 HG3 ARG 105 2HG ARG 105 -1.968 -1.617 7.066 699 HD2 ARG 105 1HD ARG 105 -3.614 -0.751 8.652 700 HD3 ARG 105 2HD ARG 105 -4.343 -1.119 7.093 701 HE ARG 105 HE ARG 105 -4.578 -3.246 9.027 702 HH11 ARG 105 1HH1 ARG 105 -5.986 -0.265 7.837 703 HH12 ARG 105 2HH1 ARG 105 -7.594 -0.651 8.382 704 HH21 ARG 105 1HH2 ARG 105 -6.716 -3.723 9.791 705 HH22 ARG 105 2HH2 ARG 105 -7.998 -2.589 9.491 706 H VAL 106 H VAL 106 -5.204 -1.092 5.016 707 HA VAL 106 HA VAL 106 -3.303 0.249 3.284 708 HB VAL 106 HB VAL 106 -5.998 1.234 4.232 709 HG11 VAL 106 1HG1 VAL 106 -4.577 2.969 3.309 710 HG12 VAL 106 2HG1 VAL 106 -5.919 2.623 2.218 711 HG13 VAL 106 3HG1 VAL 106 -4.308 2.003 1.860 712 HG21 VAL 106 1HG2 VAL 106 -6.129 -0.985 3.113 713 HG22 VAL 106 2HG2 VAL 106 -5.405 -0.256 1.679 714 HG23 VAL 106 3HG2 VAL 106 -6.976 0.301 2.257 715 H ARG 107 H ARG 107 -2.072 1.972 3.861 716 HA ARG 107 HA ARG 107 -2.574 3.198 6.489 717 HB2 ARG 107 1HB ARG 107 0.174 2.555 5.399 718 HB3 ARG 107 2HB ARG 107 -0.201 3.256 6.967 719 HG2 ARG 107 1HG ARG 107 -1.453 1.125 7.481 720 HG3 ARG 107 2HG ARG 107 -0.726 0.456 6.019 721 HD2 ARG 107 1HD ARG 107 0.618 -0.192 7.889 722 HD3 ARG 107 2HD ARG 107 1.512 1.012 6.961 723 HE ARG 107 HE ARG 107 0.717 2.653 8.668 724 HH11 ARG 107 1HH1 ARG 107 1.036 -0.745 9.463 725 HH12 ARG 107 2HH1 ARG 107 1.196 -0.458 11.162 726 HH21 ARG 107 1HH2 ARG 107 0.908 3.030 10.893 727 HH22 ARG 107 2HH2 ARG 107 1.107 1.691 11.982 728 H THR 108 H THR 108 -1.888 5.375 6.673 729 HA THR 108 HA THR 108 -1.746 6.763 4.099 730 HB THR 108 HB THR 108 -2.169 7.978 6.836 731 HG1 THR 108 HG1 THR 108 -4.246 7.516 6.665 732 HG21 THR 108 1HG2 THR 108 -3.118 9.848 5.572 733 HG22 THR 108 2HG2 THR 108 -2.779 9.005 4.061 734 HG23 THR 108 3HG2 THR 108 -1.451 9.543 5.090 735 H VAL 109 H VAL 109 0.130 7.546 3.410 736 HA VAL 109 HA VAL 109 2.360 7.712 5.327 737 HB VAL 109 HB VAL 109 2.386 7.239 2.344 738 HG11 VAL 109 1HG1 VAL 109 4.266 8.656 3.052 739 HG12 VAL 109 2HG1 VAL 109 4.787 7.062 2.512 740 HG13 VAL 109 3HG1 VAL 109 4.725 7.430 4.234 741 HG21 VAL 109 1HG2 VAL 109 1.754 5.281 3.628 742 HG22 VAL 109 2HG2 VAL 109 3.161 5.486 4.672 743 HG23 VAL 109 3HG2 VAL 109 3.379 5.078 2.970 744 H THR 110 H THR 110 2.992 9.675 5.852 745 HA THR 110 HA THR 110 2.155 11.928 4.198 746 HB THR 110 HB THR 110 2.969 13.298 6.158 747 HG1 THR 110 HG1 THR 110 3.219 10.686 7.311 748 HG21 THR 110 1HG2 THR 110 1.056 12.704 7.588 749 HG22 THR 110 2HG2 THR 110 0.863 11.198 6.690 750 HG23 THR 110 3HG2 THR 110 0.611 12.746 5.883 751 H SER 111 H SER 111 5.053 10.175 4.945 752 HA SER 111 HA SER 111 6.590 11.963 3.256 753 HB2 SER 111 1HB SER 111 7.422 11.454 6.125 754 HB3 SER 111 2HB SER 111 8.350 12.349 4.923 755 HG SER 111 HG SER 111 6.018 13.480 4.903 756 HA PRO 112 HA PRO 112 8.608 8.275 1.913 757 HB2 PRO 112 1HB PRO 112 11.254 9.166 1.871 758 HB3 PRO 112 2HB PRO 112 10.090 9.297 0.554 759 HG2 PRO 112 1HG PRO 112 10.926 11.334 2.553 760 HG3 PRO 112 2HG PRO 112 10.471 11.544 0.854 761 HD2 PRO 112 1HD PRO 112 8.810 12.207 2.861 762 HD3 PRO 112 2HD PRO 112 8.207 11.540 1.330 763 H ASP 113 H ASP 113 10.233 9.934 4.625 764 HA ASP 113 HA ASP 113 11.619 7.729 5.646 765 HB2 ASP 113 1HB ASP 113 10.551 10.237 6.866 766 HB3 ASP 113 2HB ASP 113 11.096 8.956 7.937 767 H GLU 114 H GLU 114 8.350 8.855 6.327 768 HA GLU 114 HA GLU 114 7.680 6.816 8.156 769 HB2 GLU 114 1HB GLU 114 6.476 8.962 7.957 770 HB3 GLU 114 2HB GLU 114 5.891 8.482 6.372 771 HG2 GLU 114 1HG GLU 114 4.550 6.757 7.303 772 HG3 GLU 114 2HG GLU 114 5.287 6.963 8.892 773 H ALA 115 H ALA 115 7.399 7.134 4.663 774 HA ALA 115 HA ALA 115 5.911 4.850 4.079 775 HB1 ALA 115 1HB ALA 115 6.599 6.676 2.480 776 HB2 ALA 115 2HB ALA 115 6.715 5.033 1.856 777 HB3 ALA 115 3HB ALA 115 8.169 5.883 2.379 778 H LYS 116 H LYS 116 9.463 5.204 4.027 779 HA LYS 116 HA LYS 116 9.905 2.462 3.515 780 HB2 LYS 116 1HB LYS 116 12.274 2.936 4.016 781 HB3 LYS 116 2HB LYS 116 11.571 4.071 2.878 782 HG2 LYS 116 1HG LYS 116 11.376 5.736 4.646 783 HG3 LYS 116 2HG LYS 116 12.071 4.589 5.798 784 HD2 LYS 116 1HD LYS 116 14.138 4.525 4.576 785 HD3 LYS 116 2HD LYS 116 13.449 5.492 3.274 786 HE2 LYS 116 1HE LYS 116 14.908 6.817 4.714 787 HE3 LYS 116 2HE LYS 116 13.248 7.395 4.762 788 HZ1 LYS 116 1HZ LYS 116 14.069 7.377 6.965 789 HZ2 LYS 116 2HZ LYS 116 14.662 5.797 6.818 790 HZ3 LYS 116 3HZ LYS 116 12.996 6.073 6.848 791 H ARG 117 H ARG 117 9.344 4.203 6.439 792 HA ARG 117 HA ARG 117 10.447 2.314 8.235 793 HB2 ARG 117 1HB ARG 117 9.049 4.753 8.446 794 HB3 ARG 117 2HB ARG 117 8.084 3.568 9.315 795 HG2 ARG 117 1HG ARG 117 10.993 4.175 9.790 796 HG3 ARG 117 2HG ARG 117 9.643 4.696 10.794 797 HD2 ARG 117 1HD ARG 117 9.133 2.391 11.357 798 HD3 ARG 117 2HD ARG 117 10.404 1.819 10.276 799 HE ARG 117 HE ARG 117 11.287 3.635 12.339 800 HH11 ARG 117 1HH1 ARG 117 10.714 0.269 11.525 801 HH12 ARG 117 2HH1 ARG 117 11.899 -0.321 12.649 802 HH21 ARG 117 1HH2 ARG 117 12.823 2.855 13.816 803 HH22 ARG 117 2HH2 ARG 117 13.088 1.147 13.964 804 H TRP 118 H TRP 118 7.102 2.808 7.081 805 HA TRP 118 HA TRP 118 6.117 0.524 8.437 806 HB2 TRP 118 1HB TRP 118 4.912 2.091 6.153 807 HB3 TRP 118 2HB TRP 118 4.065 0.853 7.078 808 HD1 TRP 118 HD1 TRP 118 3.965 4.349 6.890 809 HE1 TRP 118 HE1 TRP 118 3.469 5.496 9.141 810 HE3 TRP 118 HE3 TRP 118 5.019 0.462 10.048 811 HZ2 TRP 118 HZ2 TRP 118 3.527 4.848 11.881 812 HZ3 TRP 118 HZ3 TRP 118 4.777 0.813 12.469 813 HH2 TRP 118 HH2 TRP 118 4.044 2.962 13.368 814 H ILE 119 H ILE 119 7.382 1.013 5.178 815 HA ILE 119 HA ILE 119 6.671 -1.513 4.154 816 HB ILE 119 HB ILE 119 9.119 0.141 3.502 817 HG12 ILE 119 1HG1 ILE 119 6.454 -0.105 2.085 818 HG13 ILE 119 2HG1 ILE 119 6.958 1.266 3.068 819 HG21 ILE 119 1HG2 ILE 119 9.203 -1.181 1.414 820 HG22 ILE 119 2HG2 ILE 119 7.909 -2.207 2.033 821 HG23 ILE 119 3HG2 ILE 119 9.472 -2.173 2.847 822 HD11 ILE 119 1HD1 ILE 119 8.773 1.715 1.497 823 HD12 ILE 119 2HD1 ILE 119 7.196 1.749 0.709 824 HD13 ILE 119 3HD1 ILE 119 8.251 0.350 0.510 825 H LYS 120 H LYS 120 9.489 -0.431 6.006 826 HA LYS 120 HA LYS 120 10.896 -2.850 6.079 827 HB2 LYS 120 1HB LYS 120 11.856 -0.731 6.831 828 HB3 LYS 120 2HB LYS 120 10.714 -0.666 8.165 829 HG2 LYS 120 1HG LYS 120 11.726 -2.771 9.040 830 HG3 LYS 120 2HG LYS 120 12.952 -2.638 7.779 831 HD2 LYS 120 1HD LYS 120 12.397 -0.546 9.882 832 HD3 LYS 120 2HD LYS 120 13.700 -1.731 9.958 833 HE2 LYS 120 1HE LYS 120 13.354 0.327 7.779 834 HE3 LYS 120 2HE LYS 120 14.446 0.484 9.151 835 HZ1 LYS 120 1HZ LYS 120 15.643 -1.457 8.392 836 HZ2 LYS 120 2HZ LYS 120 15.586 -0.296 7.167 837 HZ3 LYS 120 3HZ LYS 120 14.579 -1.649 7.094 838 H GLU 121 H GLU 121 8.326 -1.592 8.149 839 HA GLU 121 HA GLU 121 8.376 -3.610 10.097 840 HB2 GLU 121 1HB GLU 121 5.981 -1.995 9.211 841 HB3 GLU 121 2HB GLU 121 6.173 -2.825 10.748 842 HG2 GLU 121 1HG GLU 121 7.695 -0.426 9.768 843 HG3 GLU 121 2HG GLU 121 6.534 -0.495 11.091 844 H PHE 122 H PHE 122 6.572 -3.365 7.055 845 HA PHE 122 HA PHE 122 5.212 -5.872 7.562 846 HB2 PHE 122 1HB PHE 122 5.162 -3.905 5.287 847 HB3 PHE 122 2HB PHE 122 4.381 -5.476 5.156 848 HD1 PHE 122 HD1 PHE 122 2.204 -5.733 5.867 849 HD2 PHE 122 HD2 PHE 122 4.487 -2.459 7.342 850 HE1 PHE 122 HE1 PHE 122 0.201 -4.843 6.985 851 HE2 PHE 122 HE2 PHE 122 2.489 -1.564 8.460 852 HZ PHE 122 HZ PHE 122 0.342 -2.756 8.283 853 H SER 123 H SER 123 8.070 -4.810 5.974 854 HA SER 123 HA SER 123 8.372 -7.010 4.197 855 HB2 SER 123 1HB SER 123 9.533 -4.909 3.790 856 HB3 SER 123 2HB SER 123 10.402 -5.061 5.315 857 HG SER 123 HG SER 123 10.749 -7.271 3.820 858 H GLU 124 H GLU 124 10.170 -6.189 7.171 859 HA GLU 124 HA GLU 124 11.153 -8.907 7.340 860 HB2 GLU 124 1HB GLU 124 12.627 -7.005 7.864 861 HB3 GLU 124 2HB GLU 124 11.566 -6.554 9.190 862 HG2 GLU 124 1HG GLU 124 12.033 -8.733 10.254 863 HG3 GLU 124 2HG GLU 124 13.180 -9.081 8.959 864 H GLU 125 H GLU 125 9.291 -6.713 9.411 865 HA GLU 125 HA GLU 125 7.764 -7.037 11.039 866 HB2 GLU 125 1HB GLU 125 6.541 -8.080 9.155 867 HB3 GLU 125 2HB GLU 125 7.228 -9.636 9.595 868 HG2 GLU 125 1HG GLU 125 6.071 -9.606 11.702 869 HG3 GLU 125 2HG GLU 125 5.471 -7.979 11.388 Start of MODEL 11 1 HA MET 21 HA MET 21 2.841 -16.521 0.838 2 HB2 MET 21 1HB MET 21 4.022 -16.640 2.984 3 HB3 MET 21 2HB MET 21 5.251 -15.537 2.384 4 HG2 MET 21 1HG MET 21 3.604 -13.763 2.212 5 HG3 MET 21 2HG MET 21 2.340 -14.868 2.751 6 HE1 MET 21 1HE MET 21 6.037 -14.773 4.179 7 HE2 MET 21 2HE MET 21 5.867 -13.510 5.397 8 HE3 MET 21 3HE MET 21 5.691 -13.116 3.687 9 H ARG 22 H ARG 22 2.152 -14.562 0.058 10 HA ARG 22 HA ARG 22 4.058 -13.161 -1.690 11 HB2 ARG 22 1HB ARG 22 2.106 -14.090 -2.832 12 HB3 ARG 22 2HB ARG 22 1.033 -13.242 -1.732 13 HG2 ARG 22 1HG ARG 22 1.202 -12.181 -3.947 14 HG3 ARG 22 2HG ARG 22 1.696 -11.118 -2.630 15 HD2 ARG 22 1HD ARG 22 3.211 -10.931 -4.535 16 HD3 ARG 22 2HD ARG 22 4.036 -11.580 -3.122 17 HE ARG 22 HE ARG 22 3.129 -13.723 -4.678 18 HH11 ARG 22 1HH1 ARG 22 5.468 -11.121 -4.824 19 HH12 ARG 22 2HH1 ARG 22 6.542 -11.979 -5.879 20 HH21 ARG 22 1HH2 ARG 22 4.564 -14.853 -6.066 21 HH22 ARG 22 2HH2 ARG 22 6.035 -14.092 -6.575 22 H LEU 23 H LEU 23 4.690 -11.163 -1.176 23 HA LEU 23 HA LEU 23 3.183 -9.707 0.898 24 HB2 LEU 23 1HB LEU 23 6.096 -9.494 0.120 25 HB3 LEU 23 2HB LEU 23 5.305 -8.506 1.333 26 HG LEU 23 HG LEU 23 5.657 -11.502 1.492 27 HD11 LEU 23 1HD1 LEU 23 7.780 -10.362 1.724 28 HD12 LEU 23 2HD1 LEU 23 7.251 -10.981 3.288 29 HD13 LEU 23 3HD1 LEU 23 7.087 -9.265 2.917 30 HD21 LEU 23 1HD2 LEU 23 4.528 -9.502 3.441 31 HD22 LEU 23 2HD2 LEU 23 4.927 -11.171 3.840 32 HD23 LEU 23 3HD2 LEU 23 3.668 -10.825 2.654 33 H VAL 24 H VAL 24 2.199 -7.871 0.302 34 HA VAL 24 HA VAL 24 2.932 -6.716 -2.315 35 HB VAL 24 HB VAL 24 0.111 -7.051 -1.287 36 HG11 VAL 24 1HG1 VAL 24 0.419 -5.169 -2.810 37 HG12 VAL 24 2HG1 VAL 24 -0.544 -6.445 -3.555 38 HG13 VAL 24 3HG1 VAL 24 1.150 -6.246 -3.999 39 HG21 VAL 24 1HG2 VAL 24 1.072 -9.234 -1.762 40 HG22 VAL 24 2HG2 VAL 24 1.572 -8.681 -3.362 41 HG23 VAL 24 3HG2 VAL 24 -0.142 -8.811 -2.968 42 H VAL 25 H VAL 25 2.992 -4.533 -2.443 43 HA VAL 25 HA VAL 25 1.821 -2.950 -0.257 44 HB VAL 25 HB VAL 25 4.457 -2.243 -1.561 45 HG11 VAL 25 1HG1 VAL 25 3.190 -0.386 -0.629 46 HG12 VAL 25 2HG1 VAL 25 4.649 -0.687 0.314 47 HG13 VAL 25 3HG1 VAL 25 3.083 -1.219 0.922 48 HG21 VAL 25 1HG2 VAL 25 5.558 -2.970 0.514 49 HG22 VAL 25 2HG2 VAL 25 4.779 -4.316 -0.317 50 HG23 VAL 25 3HG2 VAL 25 4.020 -3.599 1.104 51 H LEU 26 H LEU 26 0.272 -1.736 -1.170 52 HA LEU 26 HA LEU 26 0.747 -0.670 -3.879 53 HB2 LEU 26 1HB LEU 26 -1.870 -0.767 -2.365 54 HB3 LEU 26 2HB LEU 26 -1.650 -0.246 -4.019 55 HG LEU 26 HG LEU 26 -2.645 -2.380 -4.115 56 HD11 LEU 26 1HD1 LEU 26 -1.068 -3.750 -5.288 57 HD12 LEU 26 2HD1 LEU 26 0.288 -2.879 -4.571 58 HD13 LEU 26 3HD1 LEU 26 -0.790 -2.058 -5.700 59 HD21 LEU 26 1HD2 LEU 26 -0.531 -3.347 -2.211 60 HD22 LEU 26 2HD2 LEU 26 -1.760 -4.346 -2.986 61 HD23 LEU 26 3HD2 LEU 26 -2.236 -3.088 -1.849 62 H ILE 27 H ILE 27 1.511 1.366 -3.864 63 HA ILE 27 HA ILE 27 0.831 3.022 -1.522 64 HB ILE 27 HB ILE 27 2.915 4.244 -1.850 65 HG12 ILE 27 1HG1 ILE 27 3.673 2.234 -3.937 66 HG13 ILE 27 2HG1 ILE 27 2.947 3.778 -4.379 67 HG21 ILE 27 1HG2 ILE 27 2.923 2.239 -0.440 68 HG22 ILE 27 2HG2 ILE 27 4.483 2.501 -1.215 69 HG23 ILE 27 3HG2 ILE 27 3.385 1.269 -1.836 70 HD11 ILE 27 1HD1 ILE 27 4.807 4.940 -3.282 71 HD12 ILE 27 2HD1 ILE 27 5.361 3.871 -4.570 72 HD13 ILE 27 3HD1 ILE 27 5.533 3.384 -2.883 73 H VAL 28 H VAL 28 0.237 5.132 -1.801 74 HA VAL 28 HA VAL 28 -0.754 5.841 -4.439 75 HB VAL 28 HB VAL 28 -1.003 7.240 -1.764 76 HG11 VAL 28 1HG1 VAL 28 -1.134 8.852 -3.595 77 HG12 VAL 28 2HG1 VAL 28 -2.707 8.637 -2.826 78 HG13 VAL 28 3HG1 VAL 28 -2.371 7.868 -4.377 79 HG21 VAL 28 1HG2 VAL 28 -3.333 6.480 -1.850 80 HG22 VAL 28 2HG2 VAL 28 -2.197 5.130 -1.846 81 HG23 VAL 28 3HG2 VAL 28 -2.985 5.616 -3.347 82 H SER 29 H SER 29 -0.123 7.730 -5.539 83 HA SER 29 HA SER 29 2.643 7.985 -5.699 84 HB2 SER 29 1HB SER 29 0.520 9.820 -6.823 85 HB3 SER 29 2HB SER 29 2.203 9.755 -7.346 86 HG SER 29 HG SER 29 0.443 7.523 -7.400 87 H ASN 30 H ASN 30 3.923 8.855 -4.309 88 HA ASN 30 HA ASN 30 3.287 11.474 -3.127 89 HB2 ASN 30 1HB ASN 30 3.700 9.480 -1.557 90 HB3 ASN 30 2HB ASN 30 5.370 9.534 -2.104 91 HD21 ASN 30 1HD2 ASN 30 2.906 11.147 -0.243 92 HD22 ASN 30 2HD2 ASN 30 3.968 12.255 0.553 93 H ASP 31 H ASP 31 5.863 12.264 -2.457 94 HA ASP 31 HA ASP 31 6.796 13.557 -4.688 95 HB2 ASP 31 1HB ASP 31 7.468 13.938 -2.284 96 HB3 ASP 31 2HB ASP 31 8.568 12.574 -2.444 97 H LYS 32 H LYS 32 8.342 13.212 -6.236 98 HA LYS 32 HA LYS 32 8.314 10.679 -7.388 99 HB2 LYS 32 1HB LYS 32 10.209 12.952 -7.970 100 HB3 LYS 32 2HB LYS 32 9.911 11.575 -9.018 101 HG2 LYS 32 1HG LYS 32 7.552 12.277 -9.206 102 HG3 LYS 32 2HG LYS 32 7.936 13.706 -8.248 103 HD2 LYS 32 1HD LYS 32 9.199 12.988 -10.894 104 HD3 LYS 32 2HD LYS 32 7.909 14.167 -10.671 105 HE2 LYS 32 1HE LYS 32 9.758 15.533 -10.715 106 HE3 LYS 32 2HE LYS 32 9.587 15.250 -8.985 107 HZ1 LYS 32 1HZ LYS 32 11.883 15.018 -9.704 108 HZ2 LYS 32 2HZ LYS 32 11.447 13.808 -10.799 109 HZ3 LYS 32 3HZ LYS 32 11.295 13.537 -9.138 110 H LYS 33 H LYS 33 10.632 12.106 -5.203 111 HA LYS 33 HA LYS 33 12.769 10.325 -5.661 112 HB2 LYS 33 1HB LYS 33 11.942 12.037 -3.350 113 HB3 LYS 33 2HB LYS 33 13.215 10.850 -3.126 114 HG2 LYS 33 1HG LYS 33 14.209 12.963 -3.602 115 HG3 LYS 33 2HG LYS 33 14.463 11.900 -4.985 116 HD2 LYS 33 1HD LYS 33 12.711 12.993 -6.213 117 HD3 LYS 33 2HD LYS 33 12.265 13.953 -4.802 118 HE2 LYS 33 1HE LYS 33 14.867 14.089 -6.320 119 HE3 LYS 33 2HE LYS 33 13.573 15.284 -6.350 120 HZ1 LYS 33 1HZ LYS 33 15.298 16.015 -4.878 121 HZ2 LYS 33 2HZ LYS 33 15.260 14.565 -4.014 122 HZ3 LYS 33 3HZ LYS 33 13.941 15.622 -3.947 123 H LEU 34 H LEU 34 9.999 10.198 -3.471 124 HA LEU 34 HA LEU 34 10.713 7.818 -2.141 125 HB2 LEU 34 1HB LEU 34 9.016 9.334 -1.255 126 HB3 LEU 34 2HB LEU 34 7.982 9.011 -2.635 127 HG LEU 34 HG LEU 34 7.926 6.601 -1.912 128 HD11 LEU 34 1HD1 LEU 34 9.148 7.725 0.597 129 HD12 LEU 34 2HD1 LEU 34 9.939 6.633 -0.540 130 HD13 LEU 34 3HD1 LEU 34 8.538 6.084 0.379 131 HD21 LEU 34 1HD2 LEU 34 6.794 8.771 -0.173 132 HD22 LEU 34 2HD2 LEU 34 6.395 7.070 0.048 133 HD23 LEU 34 3HD2 LEU 34 6.002 7.873 -1.469 134 H ILE 35 H ILE 35 8.782 8.474 -5.007 135 HA ILE 35 HA ILE 35 7.649 5.996 -5.467 136 HB ILE 35 HB ILE 35 8.705 7.955 -7.515 137 HG12 ILE 35 1HG1 ILE 35 7.037 8.971 -6.058 138 HG13 ILE 35 2HG1 ILE 35 6.347 8.702 -7.653 139 HG21 ILE 35 1HG2 ILE 35 6.797 5.652 -7.849 140 HG22 ILE 35 2HG2 ILE 35 8.401 5.812 -8.562 141 HG23 ILE 35 3HG2 ILE 35 7.101 6.892 -9.065 142 HD11 ILE 35 1HD1 ILE 35 5.225 6.692 -6.808 143 HD12 ILE 35 2HD1 ILE 35 4.749 8.147 -5.936 144 HD13 ILE 35 3HD1 ILE 35 5.885 7.013 -5.205 145 H GLU 36 H GLU 36 10.846 7.172 -6.381 146 HA GLU 36 HA GLU 36 11.584 4.760 -7.721 147 HB2 GLU 36 1HB GLU 36 13.280 7.059 -6.742 148 HB3 GLU 36 2HB GLU 36 13.824 5.781 -7.821 149 HG2 GLU 36 1HG GLU 36 12.160 6.484 -9.476 150 HG3 GLU 36 2HG GLU 36 11.655 7.784 -8.399 151 H GLU 37 H GLU 37 12.412 6.190 -4.554 152 HA GLU 37 HA GLU 37 14.257 4.160 -3.864 153 HB2 GLU 37 1HB GLU 37 12.729 6.009 -2.029 154 HB3 GLU 37 2HB GLU 37 14.139 5.060 -1.584 155 HG2 GLU 37 1HG GLU 37 14.006 7.372 -3.494 156 HG3 GLU 37 2HG GLU 37 14.858 7.285 -1.955 157 H ALA 38 H ALA 38 10.809 4.565 -3.155 158 HA ALA 38 HA ALA 38 10.579 2.406 -1.353 159 HB1 ALA 38 1HB ALA 38 8.184 2.536 -1.757 160 HB2 ALA 38 2HB ALA 38 8.463 3.540 -3.181 161 HB3 ALA 38 3HB ALA 38 8.869 4.151 -1.577 162 H ARG 39 H ARG 39 10.307 2.602 -4.867 163 HA ARG 39 HA ARG 39 9.469 -0.088 -5.226 164 HB2 ARG 39 1HB ARG 39 9.176 1.723 -6.922 165 HB3 ARG 39 2HB ARG 39 10.911 1.685 -7.208 166 HG2 ARG 39 1HG ARG 39 10.783 -0.569 -8.026 167 HG3 ARG 39 2HG ARG 39 9.074 -0.666 -7.599 168 HD2 ARG 39 1HD ARG 39 8.614 1.166 -9.194 169 HD3 ARG 39 2HD ARG 39 10.313 1.145 -9.667 170 HE ARG 39 HE ARG 39 9.708 -1.362 -10.158 171 HH11 ARG 39 1HH1 ARG 39 7.788 1.492 -10.815 172 HH12 ARG 39 2HH1 ARG 39 6.953 0.777 -12.157 173 HH21 ARG 39 1HH2 ARG 39 8.625 -2.304 -11.921 174 HH22 ARG 39 2HH2 ARG 39 7.424 -1.393 -12.784 175 H LYS 40 H LYS 40 12.602 1.515 -5.109 176 HA LYS 40 HA LYS 40 14.197 -0.681 -5.855 177 HB2 LYS 40 1HB LYS 40 14.819 1.642 -4.024 178 HB3 LYS 40 2HB LYS 40 16.018 0.503 -4.620 179 HG2 LYS 40 1HG LYS 40 15.665 1.213 -6.877 180 HG3 LYS 40 2HG LYS 40 14.303 2.229 -6.392 181 HD2 LYS 40 1HD LYS 40 15.843 3.574 -5.010 182 HD3 LYS 40 2HD LYS 40 17.187 2.589 -5.586 183 HE2 LYS 40 1HE LYS 40 16.838 3.326 -7.839 184 HE3 LYS 40 2HE LYS 40 15.358 4.169 -7.382 185 HZ1 LYS 40 1HZ LYS 40 17.223 5.689 -7.612 186 HZ2 LYS 40 2HZ LYS 40 18.085 4.846 -6.431 187 HZ3 LYS 40 3HZ LYS 40 16.662 5.663 -6.012 188 H MET 41 H MET 41 13.100 0.449 -2.676 189 HA MET 41 HA MET 41 14.308 -1.598 -1.158 190 HB2 MET 41 1HB MET 41 11.786 -0.032 -0.580 191 HB3 MET 41 2HB MET 41 12.652 -1.016 0.588 192 HG2 MET 41 1HG MET 41 13.732 1.436 -0.787 193 HG3 MET 41 2HG MET 41 13.108 1.369 0.858 194 HE1 MET 41 1HE MET 41 15.767 -0.384 -1.519 195 HE2 MET 41 2HE MET 41 17.226 0.053 -0.631 196 HE3 MET 41 3HE MET 41 16.190 1.313 -1.297 197 H ALA 42 H ALA 42 11.233 -1.374 -2.836 198 HA ALA 42 HA ALA 42 10.086 -3.756 -1.870 199 HB1 ALA 42 1HB ALA 42 8.586 -3.592 -3.790 200 HB2 ALA 42 2HB ALA 42 9.629 -2.361 -4.503 201 HB3 ALA 42 3HB ALA 42 8.782 -2.032 -2.992 202 H GLU 43 H GLU 43 12.107 -3.093 -4.718 203 HA GLU 43 HA GLU 43 11.973 -5.716 -5.765 204 HB2 GLU 43 1HB GLU 43 14.067 -3.573 -6.133 205 HB3 GLU 43 2HB GLU 43 14.008 -5.067 -7.057 206 HG2 GLU 43 1HG GLU 43 11.976 -2.852 -7.045 207 HG3 GLU 43 2HG GLU 43 13.048 -3.319 -8.365 208 H LYS 44 H LYS 44 14.040 -4.202 -3.387 209 HA LYS 44 HA LYS 44 15.960 -6.309 -3.288 210 HB2 LYS 44 1HB LYS 44 16.566 -4.079 -2.558 211 HB3 LYS 44 2HB LYS 44 15.320 -4.109 -1.317 212 HG2 LYS 44 1HG LYS 44 16.488 -5.872 -0.139 213 HG3 LYS 44 2HG LYS 44 17.707 -5.943 -1.411 214 HD2 LYS 44 1HD LYS 44 17.145 -3.478 0.229 215 HD3 LYS 44 2HD LYS 44 18.379 -4.668 0.643 216 HE2 LYS 44 1HE LYS 44 19.417 -4.278 -1.581 217 HE3 LYS 44 2HE LYS 44 18.241 -2.996 -1.862 218 HZ1 LYS 44 1HZ LYS 44 20.329 -2.104 -1.063 219 HZ2 LYS 44 2HZ LYS 44 20.241 -3.060 0.330 220 HZ3 LYS 44 3HZ LYS 44 19.107 -1.836 0.075 221 H ALA 45 H ALA 45 12.948 -5.642 -1.612 222 HA ALA 45 HA ALA 45 13.415 -7.929 0.161 223 HB1 ALA 45 1HB ALA 45 11.531 -7.086 1.460 224 HB2 ALA 45 2HB ALA 45 11.267 -5.818 0.264 225 HB3 ALA 45 3HB ALA 45 12.750 -5.835 1.217 226 H ASN 46 H ASN 46 12.291 -7.558 -2.795 227 HA ASN 46 HA ASN 46 10.900 -8.644 -4.212 228 HB2 ASN 46 1HB ASN 46 12.079 -10.603 -3.045 229 HB3 ASN 46 2HB ASN 46 10.599 -10.789 -2.112 230 HD21 ASN 46 1HD2 ASN 46 8.741 -11.539 -3.133 231 HD22 ASN 46 2HD2 ASN 46 8.776 -12.267 -4.702 232 H LEU 47 H LEU 47 9.618 -6.675 -3.132 233 HA LEU 47 HA LEU 47 7.044 -7.711 -2.133 234 HB2 LEU 47 1HB LEU 47 8.039 -4.858 -2.103 235 HB3 LEU 47 2HB LEU 47 6.591 -5.470 -1.333 236 HG LEU 47 HG LEU 47 9.429 -6.116 -0.532 237 HD11 LEU 47 1HD1 LEU 47 7.311 -4.469 0.833 238 HD12 LEU 47 2HD1 LEU 47 8.748 -3.843 0.024 239 HD13 LEU 47 3HD1 LEU 47 8.915 -4.839 1.470 240 HD21 LEU 47 1HD2 LEU 47 7.957 -8.013 -0.134 241 HD22 LEU 47 2HD2 LEU 47 6.810 -6.963 0.698 242 HD23 LEU 47 3HD2 LEU 47 8.407 -7.243 1.388 243 H GLU 48 H GLU 48 5.176 -7.329 -3.290 244 HA GLU 48 HA GLU 48 5.431 -6.272 -5.972 245 HB2 GLU 48 1HB GLU 48 2.968 -7.100 -4.426 246 HB3 GLU 48 2HB GLU 48 3.001 -6.678 -6.129 247 HG2 GLU 48 1HG GLU 48 4.223 -9.063 -4.791 248 HG3 GLU 48 2HG GLU 48 2.923 -9.006 -5.982 249 H LEU 49 H LEU 49 5.814 -4.095 -5.937 250 HA LEU 49 HA LEU 49 3.958 -2.508 -4.306 251 HB2 LEU 49 1HB LEU 49 6.385 -2.473 -3.628 252 HB3 LEU 49 2HB LEU 49 6.722 -1.656 -5.143 253 HG LEU 49 HG LEU 49 4.657 -0.462 -3.360 254 HD11 LEU 49 1HD1 LEU 49 6.358 0.721 -2.082 255 HD12 LEU 49 2HD1 LEU 49 7.621 -0.225 -2.874 256 HD13 LEU 49 3HD1 LEU 49 6.455 -1.021 -1.815 257 HD21 LEU 49 1HD2 LEU 49 5.116 0.524 -5.526 258 HD22 LEU 49 2HD2 LEU 49 6.827 0.662 -5.121 259 HD23 LEU 49 3HD2 LEU 49 5.631 1.605 -4.233 260 H ILE 50 H ILE 50 2.591 -1.326 -5.348 261 HA ILE 50 HA ILE 50 3.152 -0.607 -8.154 262 HB ILE 50 HB ILE 50 0.502 -1.251 -6.855 263 HG12 ILE 50 1HG1 ILE 50 1.850 -3.233 -7.390 264 HG13 ILE 50 2HG1 ILE 50 0.423 -3.136 -8.415 265 HG21 ILE 50 1HG2 ILE 50 0.211 0.555 -8.435 266 HG22 ILE 50 2HG2 ILE 50 -0.496 -0.931 -9.069 267 HG23 ILE 50 3HG2 ILE 50 1.060 -0.366 -9.676 268 HD11 ILE 50 1HD1 ILE 50 2.344 -3.837 -9.693 269 HD12 ILE 50 2HD1 ILE 50 3.233 -2.400 -9.196 270 HD13 ILE 50 3HD1 ILE 50 1.812 -2.244 -10.228 271 H THR 51 H THR 51 2.846 1.483 -8.762 272 HA THR 51 HA THR 51 2.324 3.408 -6.647 273 HB THR 51 HB THR 51 2.965 5.100 -8.406 274 HG1 THR 51 HG1 THR 51 3.698 2.751 -9.862 275 HG21 THR 51 1HG2 THR 51 5.365 4.501 -8.353 276 HG22 THR 51 2HG2 THR 51 4.930 2.905 -7.744 277 HG23 THR 51 3HG2 THR 51 4.588 4.342 -6.779 278 H VAL 52 H VAL 52 0.306 3.888 -6.256 279 HA VAL 52 HA VAL 52 -1.713 3.709 -8.347 280 HB VAL 52 HB VAL 52 -1.918 4.130 -5.358 281 HG11 VAL 52 1HG1 VAL 52 -4.189 3.742 -7.303 282 HG12 VAL 52 2HG1 VAL 52 -3.740 5.295 -6.585 283 HG13 VAL 52 3HG1 VAL 52 -4.309 3.970 -5.557 284 HG21 VAL 52 1HG2 VAL 52 -1.231 1.881 -6.133 285 HG22 VAL 52 2HG2 VAL 52 -2.729 1.776 -7.058 286 HG23 VAL 52 3HG2 VAL 52 -2.781 1.885 -5.299 287 HA PRO 53 HA PRO 53 -2.274 8.156 -9.042 288 HB2 PRO 53 1HB PRO 53 -5.088 7.880 -8.999 289 HB3 PRO 53 2HB PRO 53 -4.053 7.916 -10.426 290 HG2 PRO 53 1HG PRO 53 -5.191 5.591 -8.965 291 HG3 PRO 53 2HG PRO 53 -4.869 5.784 -10.698 292 HD2 PRO 53 1HD PRO 53 -3.290 4.275 -9.180 293 HD3 PRO 53 2HD PRO 53 -2.602 5.305 -10.451 294 H GLY 54 H GLY 54 -3.441 9.889 -7.952 295 HA2 GLY 54 1HA GLY 54 -2.915 9.711 -5.177 296 HA3 GLY 54 2HA GLY 54 -3.544 11.113 -6.018 297 H SER 55 H SER 55 -5.471 8.356 -6.486 298 HA SER 55 HA SER 55 -7.428 9.366 -4.555 299 HB2 SER 55 1HB SER 55 -7.897 7.192 -6.594 300 HB3 SER 55 2HB SER 55 -9.079 8.257 -5.837 301 HG SER 55 HG SER 55 -7.911 8.587 -8.148 302 HA PRO 56 HA PRO 56 -6.153 5.990 -1.819 303 HB2 PRO 56 1HB PRO 56 -8.650 6.876 -0.464 304 HB3 PRO 56 2HB PRO 56 -7.031 6.632 0.205 305 HG2 PRO 56 1HG PRO 56 -7.961 9.088 -0.200 306 HG3 PRO 56 2HG PRO 56 -6.267 8.694 -0.551 307 HD2 PRO 56 1HD PRO 56 -8.566 9.025 -2.441 308 HD3 PRO 56 2HD PRO 56 -6.879 9.553 -2.613 309 H GLU 57 H GLU 57 -9.413 6.570 -3.033 310 HA GLU 57 HA GLU 57 -10.626 4.130 -2.506 311 HB2 GLU 57 1HB GLU 57 -11.915 5.954 -3.358 312 HB3 GLU 57 2HB GLU 57 -10.920 6.069 -4.800 313 HG2 GLU 57 1HG GLU 57 -12.968 5.107 -5.451 314 HG3 GLU 57 2HG GLU 57 -11.775 3.813 -5.460 315 H GLU 58 H GLU 58 -8.587 5.067 -5.247 316 HA GLU 58 HA GLU 58 -8.970 2.634 -6.672 317 HB2 GLU 58 1HB GLU 58 -6.901 4.810 -6.988 318 HB3 GLU 58 2HB GLU 58 -7.130 3.481 -8.116 319 HG2 GLU 58 1HG GLU 58 -9.428 4.246 -8.524 320 HG3 GLU 58 2HG GLU 58 -9.150 5.606 -7.437 321 H ALA 59 H ALA 59 -6.763 3.651 -4.203 322 HA ALA 59 HA ALA 59 -4.617 1.926 -4.801 323 HB1 ALA 59 1HB ALA 59 -4.401 3.895 -3.359 324 HB2 ALA 59 2HB ALA 59 -3.817 2.431 -2.568 325 HB3 ALA 59 3HB ALA 59 -5.392 3.099 -2.137 326 H ILE 60 H ILE 60 -7.265 1.603 -2.432 327 HA ILE 60 HA ILE 60 -6.383 -0.951 -1.553 328 HB ILE 60 HB ILE 60 -9.045 0.429 -1.189 329 HG12 ILE 60 1HG1 ILE 60 -8.103 0.375 1.257 330 HG13 ILE 60 2HG1 ILE 60 -6.552 0.153 0.457 331 HG21 ILE 60 1HG2 ILE 60 -8.070 -2.157 0.017 332 HG22 ILE 60 2HG2 ILE 60 -9.435 -1.949 -1.081 333 HG23 ILE 60 3HG2 ILE 60 -9.501 -1.274 0.547 334 HD11 ILE 60 1HD1 ILE 60 -6.938 2.477 1.013 335 HD12 ILE 60 2HD1 ILE 60 -8.420 2.473 0.058 336 HD13 ILE 60 3HD1 ILE 60 -6.860 2.251 -0.734 337 H ARG 61 H ARG 61 -8.563 0.117 -4.082 338 HA ARG 61 HA ARG 61 -9.776 -2.395 -4.552 339 HB2 ARG 61 1HB ARG 61 -9.386 -0.042 -6.404 340 HB3 ARG 61 2HB ARG 61 -10.362 -1.454 -6.789 341 HG2 ARG 61 1HG ARG 61 -11.737 -0.955 -4.762 342 HG3 ARG 61 2HG ARG 61 -10.840 0.557 -4.606 343 HD2 ARG 61 1HD ARG 61 -11.561 1.164 -6.896 344 HD3 ARG 61 2HD ARG 61 -12.538 -0.302 -6.943 345 HE ARG 61 HE ARG 61 -13.010 1.627 -4.786 346 HH11 ARG 61 1HH1 ARG 61 -14.116 0.057 -7.724 347 HH12 ARG 61 2HH1 ARG 61 -15.718 0.708 -7.622 348 HH21 ARG 61 1HH2 ARG 61 -15.117 2.487 -4.653 349 HH22 ARG 61 2HH2 ARG 61 -16.294 2.083 -5.867 350 H LEU 62 H LEU 62 -6.701 -1.054 -5.467 351 HA LEU 62 HA LEU 62 -6.185 -3.035 -7.503 352 HB2 LEU 62 1HB LEU 62 -5.179 -0.618 -7.195 353 HB3 LEU 62 2HB LEU 62 -4.051 -1.428 -6.131 354 HG LEU 62 HG LEU 62 -3.182 -1.066 -8.428 355 HD11 LEU 62 1HD1 LEU 62 -2.251 -2.847 -7.070 356 HD12 LEU 62 2HD1 LEU 62 -2.298 -3.315 -8.770 357 HD13 LEU 62 3HD1 LEU 62 -3.496 -3.957 -7.645 358 HD21 LEU 62 1HD2 LEU 62 -5.298 -1.352 -9.630 359 HD22 LEU 62 2HD2 LEU 62 -5.282 -3.073 -9.239 360 HD23 LEU 62 3HD2 LEU 62 -4.027 -2.391 -10.272 361 H ALA 63 H ALA 63 -5.472 -2.456 -4.127 362 HA ALA 63 HA ALA 63 -3.795 -4.642 -3.606 363 HB1 ALA 63 1HB ALA 63 -5.810 -3.362 -1.764 364 HB2 ALA 63 2HB ALA 63 -4.174 -2.772 -2.050 365 HB3 ALA 63 3HB ALA 63 -4.424 -4.339 -1.284 366 H GLN 64 H GLN 64 -7.297 -4.291 -3.474 367 HA GLN 64 HA GLN 64 -8.022 -6.794 -2.528 368 HB2 GLN 64 1HB GLN 64 -9.565 -4.904 -2.804 369 HB3 GLN 64 2HB GLN 64 -9.440 -5.048 -4.550 370 HG2 GLN 64 1HG GLN 64 -10.459 -7.272 -4.429 371 HG3 GLN 64 2HG GLN 64 -10.609 -7.095 -2.680 372 HE21 GLN 64 1HE2 GLN 64 -12.663 -7.456 -4.727 373 HE22 GLN 64 2HE2 GLN 64 -13.739 -6.112 -4.560 374 H GLU 65 H GLU 65 -7.329 -5.736 -5.824 375 HA GLU 65 HA GLU 65 -8.005 -8.088 -7.181 376 HB2 GLU 65 1HB GLU 65 -7.522 -5.931 -8.286 377 HB3 GLU 65 2HB GLU 65 -5.826 -6.104 -7.858 378 HG2 GLU 65 1HG GLU 65 -5.657 -8.091 -9.238 379 HG3 GLU 65 2HG GLU 65 -7.372 -7.979 -9.631 380 H ILE 66 H ILE 66 -4.792 -7.023 -6.008 381 HA ILE 66 HA ILE 66 -3.511 -9.427 -6.779 382 HB ILE 66 HB ILE 66 -2.607 -7.492 -4.643 383 HG12 ILE 66 1HG1 ILE 66 -2.004 -7.493 -7.612 384 HG13 ILE 66 2HG1 ILE 66 -3.102 -6.373 -6.809 385 HG21 ILE 66 1HG2 ILE 66 -1.408 -9.616 -4.631 386 HG22 ILE 66 2HG2 ILE 66 -0.367 -8.313 -5.204 387 HG23 ILE 66 3HG2 ILE 66 -1.073 -9.449 -6.354 388 HD11 ILE 66 1HD1 ILE 66 -0.135 -6.606 -6.409 389 HD12 ILE 66 2HD1 ILE 66 -1.200 -5.591 -5.436 390 HD13 ILE 66 3HD1 ILE 66 -1.020 -5.278 -7.164 391 H ALA 67 H ALA 67 -5.044 -8.389 -3.775 392 HA ALA 67 HA ALA 67 -4.138 -10.505 -2.143 393 HB1 ALA 67 1HB ALA 67 -5.139 -8.437 -1.264 394 HB2 ALA 67 2HB ALA 67 -5.921 -9.881 -0.624 395 HB3 ALA 67 3HB ALA 67 -6.706 -8.944 -1.894 396 H GLU 68 H GLU 68 -6.972 -10.163 -4.220 397 HA GLU 68 HA GLU 68 -8.150 -12.651 -3.493 398 HB2 GLU 68 1HB GLU 68 -9.506 -10.891 -4.459 399 HB3 GLU 68 2HB GLU 68 -8.528 -10.886 -5.918 400 HG2 GLU 68 1HG GLU 68 -9.295 -13.126 -6.462 401 HG3 GLU 68 2HG GLU 68 -10.244 -13.175 -4.977 402 H LYS 69 H LYS 69 -6.003 -11.601 -6.085 403 HA LYS 69 HA LYS 69 -6.090 -14.239 -7.317 404 HB2 LYS 69 1HB LYS 69 -4.639 -11.742 -8.207 405 HB3 LYS 69 2HB LYS 69 -4.885 -13.202 -9.158 406 HG2 LYS 69 1HG LYS 69 -7.081 -11.401 -8.155 407 HG3 LYS 69 2HG LYS 69 -6.420 -11.380 -9.789 408 HD2 LYS 69 1HD LYS 69 -7.137 -13.696 -10.107 409 HD3 LYS 69 2HD LYS 69 -7.771 -13.731 -8.462 410 HE2 LYS 69 1HE LYS 69 -9.334 -11.922 -9.050 411 HE3 LYS 69 2HE LYS 69 -8.722 -11.953 -10.702 412 HZ1 LYS 69 1HZ LYS 69 -9.492 -14.218 -10.923 413 HZ2 LYS 69 2HZ LYS 69 -10.772 -13.215 -10.466 414 HZ3 LYS 69 3HZ LYS 69 -10.043 -14.225 -9.323 415 H ALA 70 H ALA 70 -4.652 -13.477 -4.721 416 HA ALA 70 HA ALA 70 -1.889 -14.078 -5.380 417 HB1 ALA 70 1HB ALA 70 -3.179 -13.706 -2.684 418 HB2 ALA 70 2HB ALA 70 -2.396 -12.435 -3.624 419 HB3 ALA 70 3HB ALA 70 -1.450 -13.794 -3.015 420 HA PRO 71 HA PRO 71 -2.562 -18.412 -4.574 421 HB2 PRO 71 1HB PRO 71 -0.070 -19.254 -5.139 422 HB3 PRO 71 2HB PRO 71 -1.196 -18.752 -6.403 423 HG2 PRO 71 1HG PRO 71 1.123 -17.295 -5.241 424 HG3 PRO 71 2HG PRO 71 0.509 -17.289 -6.902 425 HD2 PRO 71 1HD PRO 71 0.037 -15.324 -4.978 426 HD3 PRO 71 2HD PRO 71 -0.887 -15.550 -6.474 427 H GLY 72 H GLY 72 -2.871 -18.688 -2.427 428 HA2 GLY 72 1HA GLY 72 -2.122 -19.740 -0.458 429 HA3 GLY 72 2HA GLY 72 -0.480 -19.253 -0.851 430 HA PRO 73 HA PRO 73 -1.882 -16.442 2.520 431 HB2 PRO 73 1HB PRO 73 0.561 -16.273 3.710 432 HB3 PRO 73 2HB PRO 73 -0.599 -17.558 4.062 433 HG2 PRO 73 1HG PRO 73 1.797 -17.606 2.273 434 HG3 PRO 73 2HG PRO 73 1.215 -18.844 3.398 435 HD2 PRO 73 1HD PRO 73 0.789 -18.976 0.725 436 HD3 PRO 73 2HD PRO 73 -0.351 -19.640 1.911 437 H VAL 74 H VAL 74 -1.929 -14.313 2.196 438 HA VAL 74 HA VAL 74 0.378 -13.028 0.926 439 HB VAL 74 HB VAL 74 -1.220 -13.385 -0.859 440 HG11 VAL 74 1HG1 VAL 74 -3.206 -11.899 0.853 441 HG12 VAL 74 2HG1 VAL 74 -3.261 -13.610 0.430 442 HG13 VAL 74 3HG1 VAL 74 -3.456 -12.386 -0.824 443 HG21 VAL 74 1HG2 VAL 74 -1.161 -10.510 0.039 444 HG22 VAL 74 2HG2 VAL 74 -1.563 -11.063 -1.586 445 HG23 VAL 74 3HG2 VAL 74 0.055 -11.333 -0.938 446 H LYS 75 H LYS 75 1.034 -11.276 1.945 447 HA LYS 75 HA LYS 75 -0.799 -9.970 3.845 448 HB2 LYS 75 1HB LYS 75 2.228 -9.928 3.786 449 HB3 LYS 75 2HB LYS 75 1.218 -9.122 4.974 450 HG2 LYS 75 1HG LYS 75 1.367 -12.098 4.553 451 HG3 LYS 75 2HG LYS 75 2.196 -11.197 5.823 452 HD2 LYS 75 1HD LYS 75 -0.793 -11.326 5.443 453 HD3 LYS 75 2HD LYS 75 0.123 -12.273 6.613 454 HE2 LYS 75 1HE LYS 75 0.891 -10.173 7.664 455 HE3 LYS 75 2HE LYS 75 -0.104 -9.265 6.527 456 HZ1 LYS 75 1HZ LYS 75 -1.112 -11.235 8.508 457 HZ2 LYS 75 2HZ LYS 75 -2.068 -10.350 7.430 458 HZ3 LYS 75 3HZ LYS 75 -1.216 -9.553 8.655 459 H VAL 76 H VAL 76 -1.626 -8.147 3.076 460 HA VAL 76 HA VAL 76 -0.094 -6.687 1.031 461 HB VAL 76 HB VAL 76 -3.077 -6.613 1.458 462 HG11 VAL 76 1HG1 VAL 76 -3.087 -5.678 -0.826 463 HG12 VAL 76 2HG1 VAL 76 -1.325 -5.643 -0.788 464 HG13 VAL 76 3HG1 VAL 76 -2.252 -4.655 0.340 465 HG21 VAL 76 1HG2 VAL 76 -2.451 -8.863 0.826 466 HG22 VAL 76 2HG2 VAL 76 -1.490 -8.244 -0.517 467 HG23 VAL 76 3HG2 VAL 76 -3.243 -8.056 -0.527 468 H LEU 77 H LEU 77 0.404 -4.622 1.336 469 HA LEU 77 HA LEU 77 -0.883 -3.138 3.535 470 HB2 LEU 77 1HB LEU 77 1.347 -3.689 4.239 471 HB3 LEU 77 2HB LEU 77 2.017 -3.187 2.700 472 HG LEU 77 HG LEU 77 1.401 -0.844 3.221 473 HD11 LEU 77 1HD1 LEU 77 0.661 -1.949 5.925 474 HD12 LEU 77 2HD1 LEU 77 -0.460 -1.280 4.738 475 HD13 LEU 77 3HD1 LEU 77 0.754 -0.243 5.487 476 HD21 LEU 77 1HD2 LEU 77 3.641 -1.640 3.690 477 HD22 LEU 77 2HD2 LEU 77 3.123 -2.231 5.267 478 HD23 LEU 77 3HD2 LEU 77 3.127 -0.501 4.933 479 H VAL 78 H VAL 78 -1.751 -1.241 2.952 480 HA VAL 78 HA VAL 78 -1.036 -0.138 0.311 481 HB VAL 78 HB VAL 78 -3.609 0.239 1.851 482 HG11 VAL 78 1HG1 VAL 78 -4.445 1.275 -0.201 483 HG12 VAL 78 2HG1 VAL 78 -2.853 1.093 -0.938 484 HG13 VAL 78 3HG1 VAL 78 -3.064 2.155 0.454 485 HG21 VAL 78 1HG2 VAL 78 -3.414 -2.039 1.031 486 HG22 VAL 78 2HG2 VAL 78 -3.046 -1.441 -0.586 487 HG23 VAL 78 3HG2 VAL 78 -4.637 -1.156 0.118 488 H LEU 79 H LEU 79 -0.066 1.794 0.284 489 HA LEU 79 HA LEU 79 -0.071 3.365 2.774 490 HB2 LEU 79 1HB LEU 79 1.803 3.676 0.428 491 HB3 LEU 79 2HB LEU 79 1.942 4.439 1.997 492 HG LEU 79 HG LEU 79 2.454 1.566 1.271 493 HD11 LEU 79 1HD1 LEU 79 4.627 2.022 2.276 494 HD12 LEU 79 2HD1 LEU 79 4.123 3.672 2.637 495 HD13 LEU 79 3HD1 LEU 79 4.282 3.146 0.962 496 HD21 LEU 79 1HD2 LEU 79 2.207 2.746 4.044 497 HD22 LEU 79 2HD2 LEU 79 2.810 1.135 3.665 498 HD23 LEU 79 3HD2 LEU 79 1.130 1.548 3.323 499 H ILE 80 H ILE 80 -1.855 4.627 2.611 500 HA ILE 80 HA ILE 80 -2.361 6.100 0.154 501 HB ILE 80 HB ILE 80 -4.299 7.069 1.389 502 HG12 ILE 80 1HG1 ILE 80 -3.471 5.135 3.570 503 HG13 ILE 80 2HG1 ILE 80 -3.371 6.889 3.673 504 HG21 ILE 80 1HG2 ILE 80 -4.591 5.113 -0.000 505 HG22 ILE 80 2HG2 ILE 80 -5.614 4.983 1.430 506 HG23 ILE 80 3HG2 ILE 80 -4.115 4.060 1.331 507 HD11 ILE 80 1HD1 ILE 80 -5.305 6.051 4.866 508 HD12 ILE 80 2HD1 ILE 80 -5.897 5.273 3.398 509 HD13 ILE 80 3HD1 ILE 80 -5.804 7.033 3.489 510 H THR 81 H THR 81 -1.853 8.220 -0.159 511 HA THR 81 HA THR 81 -0.608 9.614 2.101 512 HB THR 81 HB THR 81 1.142 8.542 0.656 513 HG1 THR 81 HG1 THR 81 1.346 10.641 1.863 514 HG21 THR 81 1HG2 THR 81 0.068 8.768 -1.514 515 HG22 THR 81 2HG2 THR 81 1.627 9.586 -1.520 516 HG23 THR 81 3HG2 THR 81 0.141 10.522 -1.388 517 H GLY 82 H GLY 82 -0.600 11.877 1.977 518 HA2 GLY 82 1HA GLY 82 -1.035 13.940 0.936 519 HA3 GLY 82 2HA GLY 82 -2.020 13.114 -0.261 520 H SER 83 H SER 83 -3.341 15.086 0.395 521 HA SER 83 HA SER 83 -4.829 14.741 2.867 522 HB2 SER 83 1HB SER 83 -5.239 16.803 0.687 523 HB3 SER 83 2HB SER 83 -5.820 16.878 2.349 524 HG SER 83 HG SER 83 -3.805 17.294 3.063 525 H ALA 84 H ALA 84 -6.154 12.995 2.669 526 HA ALA 84 HA ALA 84 -7.570 12.381 0.269 527 HB1 ALA 84 1HB ALA 84 -7.989 11.346 3.073 528 HB2 ALA 84 2HB ALA 84 -6.930 10.635 1.855 529 HB3 ALA 84 3HB ALA 84 -8.676 10.655 1.603 530 H ASP 85 H ASP 85 -9.337 13.299 -0.448 531 HA ASP 85 HA ASP 85 -10.733 15.336 0.890 532 HB2 ASP 85 1HB ASP 85 -11.554 13.638 -1.478 533 HB3 ASP 85 2HB ASP 85 -12.397 15.091 -0.957 534 HA PRO 86 HA PRO 86 -13.808 13.494 3.548 535 HB2 PRO 86 1HB PRO 86 -15.774 14.755 1.672 536 HB3 PRO 86 2HB PRO 86 -15.755 14.750 3.440 537 HG2 PRO 86 1HG PRO 86 -14.934 16.885 2.068 538 HG3 PRO 86 2HG PRO 86 -14.126 16.387 3.564 539 HD2 PRO 86 1HD PRO 86 -13.193 16.191 0.761 540 HD3 PRO 86 2HD PRO 86 -12.253 16.286 2.262 541 H ASP 87 H ASP 87 -14.676 13.451 0.092 542 HA ASP 87 HA ASP 87 -16.241 11.163 0.026 543 HB2 ASP 87 1HB ASP 87 -14.374 12.373 -2.001 544 HB3 ASP 87 2HB ASP 87 -15.259 10.896 -2.351 545 H GLU 88 H GLU 88 -12.736 11.435 -0.394 546 HA GLU 88 HA GLU 88 -12.335 8.648 -0.768 547 HB2 GLU 88 1HB GLU 88 -10.304 10.747 -0.007 548 HB3 GLU 88 2HB GLU 88 -9.973 9.171 -0.713 549 HG2 GLU 88 1HG GLU 88 -11.454 11.429 -2.038 550 HG3 GLU 88 2HG GLU 88 -9.795 10.937 -2.366 551 H LYS 89 H LYS 89 -12.269 10.783 2.017 552 HA LYS 89 HA LYS 89 -11.074 9.072 3.888 553 HB2 LYS 89 1HB LYS 89 -13.246 11.147 4.218 554 HB3 LYS 89 2HB LYS 89 -12.509 10.307 5.573 555 HG2 LYS 89 1HG LYS 89 -11.018 12.015 3.595 556 HG3 LYS 89 2HG LYS 89 -11.567 12.547 5.185 557 HD2 LYS 89 1HD LYS 89 -10.214 10.688 6.177 558 HD3 LYS 89 2HD LYS 89 -9.555 10.389 4.568 559 HE2 LYS 89 1HE LYS 89 -8.729 12.714 4.509 560 HE3 LYS 89 2HE LYS 89 -9.329 12.945 6.151 561 HZ1 LYS 89 1HZ LYS 89 -7.003 12.449 6.215 562 HZ2 LYS 89 2HZ LYS 89 -7.214 11.047 5.295 563 HZ3 LYS 89 3HZ LYS 89 -7.846 11.132 6.859 564 H THR 90 H THR 90 -14.426 9.382 2.837 565 HA THR 90 HA THR 90 -15.482 7.345 4.486 566 HB THR 90 HB THR 90 -16.523 8.282 1.804 567 HG1 THR 90 HG1 THR 90 -16.878 10.107 2.814 568 HG21 THR 90 1HG2 THR 90 -17.597 6.243 2.632 569 HG22 THR 90 2HG2 THR 90 -18.706 7.611 2.696 570 HG23 THR 90 3HG2 THR 90 -17.929 7.037 4.170 571 H LYS 91 H LYS 91 -14.159 7.384 1.221 572 HA LYS 91 HA LYS 91 -14.836 4.735 0.537 573 HB2 LYS 91 1HB LYS 91 -12.642 6.524 -0.512 574 HB3 LYS 91 2HB LYS 91 -13.109 4.993 -1.238 575 HG2 LYS 91 1HG LYS 91 -14.783 7.479 -1.006 576 HG3 LYS 91 2HG LYS 91 -14.125 6.759 -2.476 577 HD2 LYS 91 1HD LYS 91 -15.485 4.684 -1.825 578 HD3 LYS 91 2HD LYS 91 -16.340 5.755 -0.718 579 HE2 LYS 91 1HE LYS 91 -17.523 5.544 -2.844 580 HE3 LYS 91 2HE LYS 91 -16.966 7.194 -2.580 581 HZ1 LYS 91 1HZ LYS 91 -15.258 6.936 -4.141 582 HZ2 LYS 91 2HZ LYS 91 -16.602 6.212 -4.871 583 HZ3 LYS 91 3HZ LYS 91 -15.399 5.247 -4.166 584 H ALA 92 H ALA 92 -11.929 6.117 2.029 585 HA ALA 92 HA ALA 92 -10.369 3.767 1.737 586 HB1 ALA 92 1HB ALA 92 -9.351 5.979 1.998 587 HB2 ALA 92 2HB ALA 92 -8.778 4.850 3.227 588 HB3 ALA 92 3HB ALA 92 -9.982 6.071 3.643 589 H LYS 93 H LYS 93 -12.331 5.095 4.362 590 HA LYS 93 HA LYS 93 -11.549 3.136 6.246 591 HB2 LYS 93 1HB LYS 93 -12.526 5.333 6.870 592 HB3 LYS 93 2HB LYS 93 -14.075 4.792 6.237 593 HG2 LYS 93 1HG LYS 93 -14.175 3.035 7.905 594 HG3 LYS 93 2HG LYS 93 -12.584 3.496 8.514 595 HD2 LYS 93 1HD LYS 93 -13.498 5.731 9.072 596 HD3 LYS 93 2HD LYS 93 -15.092 5.171 8.565 597 HE2 LYS 93 1HE LYS 93 -13.434 3.962 10.775 598 HE3 LYS 93 2HE LYS 93 -14.790 5.063 11.004 599 HZ1 LYS 93 1HZ LYS 93 -15.480 2.786 11.311 600 HZ2 LYS 93 2HZ LYS 93 -14.928 2.367 9.770 601 HZ3 LYS 93 3HZ LYS 93 -16.231 3.427 9.940 602 H LYS 94 H LYS 94 -14.056 3.320 3.835 603 HA LYS 94 HA LYS 94 -15.460 0.978 4.714 604 HB2 LYS 94 1HB LYS 94 -16.608 2.713 3.441 605 HB3 LYS 94 2HB LYS 94 -15.514 2.474 2.086 606 HG2 LYS 94 1HG LYS 94 -16.372 0.218 1.777 607 HG3 LYS 94 2HG LYS 94 -17.456 0.438 3.151 608 HD2 LYS 94 1HD LYS 94 -18.551 2.294 1.966 609 HD3 LYS 94 2HD LYS 94 -17.486 2.021 0.584 610 HE2 LYS 94 1HE LYS 94 -19.694 0.984 0.279 611 HE3 LYS 94 2HE LYS 94 -18.390 -0.201 0.285 612 HZ1 LYS 94 1HZ LYS 94 -20.187 0.419 2.567 613 HZ2 LYS 94 2HZ LYS 94 -18.917 -0.696 2.601 614 HZ3 LYS 94 3HZ LYS 94 -20.250 -0.965 1.599 615 H ALA 95 H ALA 95 -13.158 1.731 2.133 616 HA ALA 95 HA ALA 95 -13.068 -0.832 0.991 617 HB1 ALA 95 1HB ALA 95 -10.878 1.239 1.011 618 HB2 ALA 95 2HB ALA 95 -12.246 1.226 -0.102 619 HB3 ALA 95 3HB ALA 95 -11.070 -0.088 -0.135 620 H ALA 96 H ALA 96 -11.045 0.690 3.488 621 HA ALA 96 HA ALA 96 -9.266 -1.469 3.837 622 HB1 ALA 96 1HB ALA 96 -8.822 0.796 4.673 623 HB2 ALA 96 2HB ALA 96 -8.662 -0.417 5.944 624 HB3 ALA 96 3HB ALA 96 -10.103 0.599 5.869 625 H GLU 97 H GLU 97 -12.463 -0.844 5.053 626 HA GLU 97 HA GLU 97 -12.491 -2.739 7.150 627 HB2 GLU 97 1HB GLU 97 -14.142 -0.918 6.908 628 HB3 GLU 97 2HB GLU 97 -14.775 -1.691 5.464 629 HG2 GLU 97 1HG GLU 97 -15.495 -3.599 6.772 630 HG3 GLU 97 2HG GLU 97 -14.812 -2.875 8.228 631 H GLU 98 H GLU 98 -13.543 -2.890 3.764 632 HA GLU 98 HA GLU 98 -14.266 -5.647 3.874 633 HB2 GLU 98 1HB GLU 98 -15.172 -3.980 2.234 634 HB3 GLU 98 2HB GLU 98 -13.605 -3.979 1.441 635 HG2 GLU 98 1HG GLU 98 -13.847 -6.351 0.938 636 HG3 GLU 98 2HG GLU 98 -15.413 -6.364 1.749 637 H ALA 99 H ALA 99 -11.428 -3.852 2.787 638 HA ALA 99 HA ALA 99 -10.005 -6.025 1.702 639 HB1 ALA 99 1HB ALA 99 -8.778 -3.562 2.911 640 HB2 ALA 99 2HB ALA 99 -9.547 -3.590 1.327 641 HB3 ALA 99 3HB ALA 99 -8.126 -4.584 1.630 642 H ARG 100 H ARG 100 -10.470 -4.964 4.963 643 HA ARG 100 HA ARG 100 -8.285 -6.193 6.214 644 HB2 ARG 100 1HB ARG 100 -9.845 -4.614 7.320 645 HB3 ARG 100 2HB ARG 100 -11.090 -5.850 7.291 646 HG2 ARG 100 1HG ARG 100 -9.788 -7.249 8.770 647 HG3 ARG 100 2HG ARG 100 -8.460 -6.087 8.739 648 HD2 ARG 100 1HD ARG 100 -9.794 -5.857 10.774 649 HD3 ARG 100 2HD ARG 100 -9.888 -4.408 9.775 650 HE ARG 100 HE ARG 100 -12.011 -6.377 9.456 651 HH11 ARG 100 1HH1 ARG 100 -10.967 -3.339 10.847 652 HH12 ARG 100 2HH1 ARG 100 -12.581 -2.784 11.155 653 HH21 ARG 100 1HH2 ARG 100 -14.134 -5.646 9.865 654 HH22 ARG 100 2HH2 ARG 100 -14.380 -4.104 10.619 655 H LYS 101 H LYS 101 -11.267 -7.469 4.955 656 HA LYS 101 HA LYS 101 -10.946 -10.055 6.203 657 HB2 LYS 101 1HB LYS 101 -12.837 -9.151 4.027 658 HB3 LYS 101 2HB LYS 101 -12.928 -10.680 4.888 659 HG2 LYS 101 1HG LYS 101 -13.365 -9.503 6.969 660 HG3 LYS 101 2HG LYS 101 -13.219 -7.954 6.136 661 HD2 LYS 101 1HD LYS 101 -15.122 -8.583 4.696 662 HD3 LYS 101 2HD LYS 101 -15.286 -10.087 5.605 663 HE2 LYS 101 1HE LYS 101 -15.523 -7.310 6.760 664 HE3 LYS 101 2HE LYS 101 -16.877 -8.359 6.343 665 HZ1 LYS 101 1HZ LYS 101 -14.791 -8.981 8.362 666 HZ2 LYS 101 2HZ LYS 101 -16.130 -9.942 7.987 667 HZ3 LYS 101 3HZ LYS 101 -16.350 -8.430 8.707 668 H TRP 102 H TRP 102 -9.565 -8.496 3.609 669 HA TRP 102 HA TRP 102 -8.972 -11.009 2.205 670 HB2 TRP 102 1HB TRP 102 -8.553 -8.123 1.387 671 HB3 TRP 102 2HB TRP 102 -7.975 -9.503 0.453 672 HD1 TRP 102 HD1 TRP 102 -11.107 -7.502 1.210 673 HE1 TRP 102 HE1 TRP 102 -13.004 -8.285 -0.341 674 HE3 TRP 102 HE3 TRP 102 -8.867 -11.639 -0.787 675 HZ2 TRP 102 HZ2 TRP 102 -13.491 -10.381 -2.162 676 HZ3 TRP 102 HZ3 TRP 102 -10.119 -12.979 -2.427 677 HH2 TRP 102 HH2 TRP 102 -12.383 -12.361 -3.098 678 H ASN 103 H ASN 103 -7.900 -9.523 4.764 679 HA ASN 103 HA ASN 103 -5.988 -9.480 5.963 680 HB2 ASN 103 1HB ASN 103 -5.753 -11.801 4.969 681 HB3 ASN 103 2HB ASN 103 -4.697 -11.091 3.757 682 HD21 ASN 103 1HD2 ASN 103 -3.130 -12.581 4.565 683 HD22 ASN 103 2HD2 ASN 103 -2.229 -12.212 5.993 684 H VAL 104 H VAL 104 -6.618 -7.376 4.262 685 HA VAL 104 HA VAL 104 -3.983 -6.380 3.399 686 HB VAL 104 HB VAL 104 -6.716 -5.284 2.720 687 HG11 VAL 104 1HG1 VAL 104 -4.985 -3.591 2.633 688 HG12 VAL 104 2HG1 VAL 104 -5.531 -3.993 1.005 689 HG13 VAL 104 3HG1 VAL 104 -3.998 -4.626 1.603 690 HG21 VAL 104 1HG2 VAL 104 -6.447 -7.478 1.720 691 HG22 VAL 104 2HG2 VAL 104 -4.893 -7.000 1.041 692 HG23 VAL 104 3HG2 VAL 104 -6.373 -6.226 0.480 693 H ARG 105 H ARG 105 -3.135 -4.570 4.353 694 HA ARG 105 HA ARG 105 -4.789 -3.228 6.394 695 HB2 ARG 105 1HB ARG 105 -2.698 -2.825 7.666 696 HB3 ARG 105 2HB ARG 105 -3.091 -4.530 7.516 697 HG2 ARG 105 1HG ARG 105 -1.413 -4.833 5.838 698 HG3 ARG 105 2HG ARG 105 -1.113 -3.099 5.760 699 HD2 ARG 105 1HD ARG 105 0.626 -4.190 7.043 700 HD3 ARG 105 2HD ARG 105 -0.332 -3.144 8.086 701 HE ARG 105 HE ARG 105 -0.971 -6.001 7.987 702 HH11 ARG 105 1HH1 ARG 105 0.209 -3.231 9.758 703 HH12 ARG 105 2HH1 ARG 105 0.277 -4.068 11.275 704 HH21 ARG 105 1HH2 ARG 105 -0.890 -7.109 9.993 705 HH22 ARG 105 2HH2 ARG 105 -0.345 -6.266 11.410 706 H VAL 106 H VAL 106 -4.441 -0.970 6.675 707 HA VAL 106 HA VAL 106 -3.168 0.329 4.353 708 HB VAL 106 HB VAL 106 -4.927 2.044 4.383 709 HG11 VAL 106 1HG1 VAL 106 -5.210 0.148 2.898 710 HG12 VAL 106 2HG1 VAL 106 -6.772 0.677 3.516 711 HG13 VAL 106 3HG1 VAL 106 -6.004 -0.765 4.179 712 HG21 VAL 106 1HG2 VAL 106 -5.536 1.936 6.739 713 HG22 VAL 106 2HG2 VAL 106 -6.225 0.330 6.500 714 HG23 VAL 106 3HG2 VAL 106 -6.958 1.729 5.717 715 H ARG 107 H ARG 107 -1.994 2.164 4.720 716 HA ARG 107 HA ARG 107 -2.023 3.367 7.390 717 HB2 ARG 107 1HB ARG 107 0.404 2.235 6.003 718 HB3 ARG 107 2HB ARG 107 0.534 3.471 7.247 719 HG2 ARG 107 1HG ARG 107 -0.523 2.007 8.859 720 HG3 ARG 107 2HG ARG 107 -0.763 0.779 7.617 721 HD2 ARG 107 1HD ARG 107 1.614 0.481 7.385 722 HD3 ARG 107 2HD ARG 107 1.928 1.821 8.487 723 HE ARG 107 HE ARG 107 0.510 0.231 10.060 724 HH11 ARG 107 1HH1 ARG 107 3.118 -0.606 7.868 725 HH12 ARG 107 2HH1 ARG 107 3.671 -1.930 8.842 726 HH21 ARG 107 1HH2 ARG 107 1.246 -1.498 11.333 727 HH22 ARG 107 2HH2 ARG 107 2.616 -2.431 10.811 728 H THR 108 H THR 108 -1.369 5.553 7.429 729 HA THR 108 HA THR 108 -1.564 6.820 4.799 730 HB THR 108 HB THR 108 -1.747 8.186 7.487 731 HG1 THR 108 HG1 THR 108 -3.412 6.411 6.552 732 HG21 THR 108 1HG2 THR 108 -2.960 9.907 6.200 733 HG22 THR 108 2HG2 THR 108 -2.684 8.987 4.722 734 HG23 THR 108 3HG2 THR 108 -1.319 9.681 5.595 735 H VAL 109 H VAL 109 0.048 7.837 3.883 736 HA VAL 109 HA VAL 109 2.534 8.246 5.399 737 HB VAL 109 HB VAL 109 2.062 8.055 2.419 738 HG11 VAL 109 1HG1 VAL 109 4.685 8.346 3.876 739 HG12 VAL 109 2HG1 VAL 109 3.868 9.643 3.005 740 HG13 VAL 109 3HG1 VAL 109 4.448 8.226 2.131 741 HG21 VAL 109 1HG2 VAL 109 3.476 6.196 4.325 742 HG22 VAL 109 2HG2 VAL 109 3.356 5.987 2.577 743 HG23 VAL 109 3HG2 VAL 109 1.903 5.916 3.577 744 H THR 110 H THR 110 3.089 10.270 5.899 745 HA THR 110 HA THR 110 1.701 12.475 4.550 746 HB THR 110 HB THR 110 3.424 12.752 7.004 747 HG1 THR 110 HG1 THR 110 1.560 11.108 7.080 748 HG21 THR 110 1HG2 THR 110 2.712 14.809 5.881 749 HG22 THR 110 2HG2 THR 110 1.931 14.648 7.454 750 HG23 THR 110 3HG2 THR 110 1.030 14.287 5.981 751 H SER 111 H SER 111 4.802 11.009 4.985 752 HA SER 111 HA SER 111 6.032 12.911 3.169 753 HB2 SER 111 1HB SER 111 6.355 13.802 5.507 754 HB3 SER 111 2HB SER 111 7.251 12.335 5.885 755 HG SER 111 HG SER 111 8.005 14.553 4.437 756 HA PRO 112 HA PRO 112 7.966 9.438 1.246 757 HB2 PRO 112 1HB PRO 112 10.503 10.911 1.849 758 HB3 PRO 112 2HB PRO 112 10.005 10.106 0.357 759 HG2 PRO 112 1HG PRO 112 9.805 12.755 0.615 760 HG3 PRO 112 2HG PRO 112 8.572 11.820 -0.249 761 HD2 PRO 112 1HD PRO 112 8.421 13.147 2.388 762 HD3 PRO 112 2HD PRO 112 7.119 12.712 1.266 763 H ASP 113 H ASP 113 9.893 10.607 4.018 764 HA ASP 113 HA ASP 113 11.264 8.202 4.454 765 HB2 ASP 113 1HB ASP 113 10.640 10.416 6.416 766 HB3 ASP 113 2HB ASP 113 11.814 9.132 6.684 767 H GLU 114 H GLU 114 8.132 9.276 5.542 768 HA GLU 114 HA GLU 114 7.776 7.398 7.635 769 HB2 GLU 114 1HB GLU 114 5.579 8.573 5.925 770 HB3 GLU 114 2HB GLU 114 5.458 8.001 7.580 771 HG2 GLU 114 1HG GLU 114 6.999 10.422 6.677 772 HG3 GLU 114 2HG GLU 114 5.406 10.440 7.425 773 H ALA 115 H ALA 115 7.168 7.355 4.175 774 HA ALA 115 HA ALA 115 5.622 4.977 4.115 775 HB1 ALA 115 1HB ALA 115 6.028 5.019 1.696 776 HB2 ALA 115 2HB ALA 115 7.217 6.299 1.927 777 HB3 ALA 115 3HB ALA 115 5.523 6.590 2.310 778 H LYS 116 H LYS 116 9.057 5.611 3.408 779 HA LYS 116 HA LYS 116 9.728 2.953 2.775 780 HB2 LYS 116 1HB LYS 116 11.457 5.152 3.910 781 HB3 LYS 116 2HB LYS 116 12.070 3.633 3.272 782 HG2 LYS 116 1HG LYS 116 11.044 4.207 1.083 783 HG3 LYS 116 2HG LYS 116 10.613 5.782 1.752 784 HD2 LYS 116 1HD LYS 116 13.400 4.661 1.475 785 HD3 LYS 116 2HD LYS 116 12.681 5.921 0.471 786 HE2 LYS 116 1HE LYS 116 12.465 7.359 2.445 787 HE3 LYS 116 2HE LYS 116 13.193 6.098 3.439 788 HZ1 LYS 116 1HZ LYS 116 15.210 6.282 2.123 789 HZ2 LYS 116 2HZ LYS 116 14.810 7.767 2.824 790 HZ3 LYS 116 3HZ LYS 116 14.512 7.501 1.182 791 H ARG 117 H ARG 117 9.478 4.654 5.812 792 HA ARG 117 HA ARG 117 10.625 2.755 7.516 793 HB2 ARG 117 1HB ARG 117 9.968 4.992 8.264 794 HB3 ARG 117 2HB ARG 117 8.275 4.592 8.006 795 HG2 ARG 117 1HG ARG 117 8.506 2.802 9.723 796 HG3 ARG 117 2HG ARG 117 10.135 3.401 10.048 797 HD2 ARG 117 1HD ARG 117 7.541 4.894 10.374 798 HD3 ARG 117 2HD ARG 117 8.634 4.361 11.650 799 HE ARG 117 HE ARG 117 10.290 5.935 10.524 800 HH11 ARG 117 1HH1 ARG 117 6.845 6.473 10.703 801 HH12 ARG 117 2HH1 ARG 117 6.957 8.180 10.372 802 HH21 ARG 117 1HH2 ARG 117 10.460 8.183 10.118 803 HH22 ARG 117 2HH2 ARG 117 9.013 9.148 10.036 804 H TRP 118 H TRP 118 7.272 3.134 6.391 805 HA TRP 118 HA TRP 118 6.287 0.886 7.769 806 HB2 TRP 118 1HB TRP 118 5.214 2.282 5.313 807 HB3 TRP 118 2HB TRP 118 4.348 1.028 6.192 808 HD1 TRP 118 HD1 TRP 118 3.995 4.463 5.833 809 HE1 TRP 118 HE1 TRP 118 3.198 5.666 7.964 810 HE3 TRP 118 HE3 TRP 118 5.108 0.847 9.283 811 HZ2 TRP 118 HZ2 TRP 118 3.076 5.157 10.734 812 HZ3 TRP 118 HZ3 TRP 118 4.623 1.290 11.650 813 HH2 TRP 118 HH2 TRP 118 3.627 3.402 12.360 814 H ILE 119 H ILE 119 7.767 1.262 4.605 815 HA ILE 119 HA ILE 119 7.240 -1.293 3.563 816 HB ILE 119 HB ILE 119 9.740 0.369 3.179 817 HG12 ILE 119 1HG1 ILE 119 7.698 1.587 2.548 818 HG13 ILE 119 2HG1 ILE 119 8.676 1.195 1.138 819 HG21 ILE 119 1HG2 ILE 119 8.631 -1.899 1.525 820 HG22 ILE 119 2HG2 ILE 119 10.095 -1.936 2.508 821 HG23 ILE 119 3HG2 ILE 119 10.013 -0.894 1.087 822 HD11 ILE 119 1HD1 ILE 119 6.186 -0.238 2.035 823 HD12 ILE 119 2HD1 ILE 119 7.181 -0.685 0.649 824 HD13 ILE 119 3HD1 ILE 119 6.338 0.863 0.664 825 H LYS 120 H LYS 120 9.963 -0.108 5.491 826 HA LYS 120 HA LYS 120 11.301 -2.599 5.676 827 HB2 LYS 120 1HB LYS 120 12.367 -0.377 5.977 828 HB3 LYS 120 2HB LYS 120 11.485 -0.178 7.481 829 HG2 LYS 120 1HG LYS 120 12.680 -1.985 8.497 830 HG3 LYS 120 2HG LYS 120 13.452 -2.393 6.963 831 HD2 LYS 120 1HD LYS 120 13.796 0.234 8.409 832 HD3 LYS 120 2HD LYS 120 14.925 -1.117 8.506 833 HE2 LYS 120 1HE LYS 120 15.317 -0.984 6.105 834 HE3 LYS 120 2HE LYS 120 14.149 0.327 5.973 835 HZ1 LYS 120 1HZ LYS 120 16.632 0.464 7.588 836 HZ2 LYS 120 2HZ LYS 120 15.557 1.733 7.273 837 HZ3 LYS 120 3HZ LYS 120 16.479 1.074 6.019 838 H GLU 121 H GLU 121 9.049 -0.879 7.755 839 HA GLU 121 HA GLU 121 9.079 -2.579 9.983 840 HB2 GLU 121 1HB GLU 121 8.101 -0.288 9.866 841 HB3 GLU 121 2HB GLU 121 6.787 -0.929 8.897 842 HG2 GLU 121 1HG GLU 121 6.047 -0.648 11.151 843 HG3 GLU 121 2HG GLU 121 6.138 -2.368 10.784 844 H PHE 122 H PHE 122 7.284 -2.713 6.964 845 HA PHE 122 HA PHE 122 5.605 -4.897 7.865 846 HB2 PHE 122 1HB PHE 122 4.693 -3.116 6.434 847 HB3 PHE 122 2HB PHE 122 5.831 -3.551 5.165 848 HD1 PHE 122 HD1 PHE 122 5.294 -5.183 3.593 849 HD2 PHE 122 HD2 PHE 122 2.975 -4.839 7.145 850 HE1 PHE 122 HE1 PHE 122 3.651 -6.761 2.669 851 HE2 PHE 122 HE2 PHE 122 1.329 -6.419 6.225 852 HZ PHE 122 HZ PHE 122 1.666 -7.379 3.986 853 H SER 123 H SER 123 8.358 -4.405 5.734 854 HA SER 123 HA SER 123 8.302 -6.907 4.449 855 HB2 SER 123 1HB SER 123 9.605 -5.094 3.525 856 HB3 SER 123 2HB SER 123 10.593 -5.004 4.980 857 HG SER 123 HG SER 123 10.441 -7.311 3.330 858 H GLU 124 H GLU 124 10.076 -5.810 7.335 859 HA GLU 124 HA GLU 124 11.158 -8.509 7.599 860 HB2 GLU 124 1HB GLU 124 11.937 -5.927 8.947 861 HB3 GLU 124 2HB GLU 124 12.707 -7.482 9.241 862 HG2 GLU 124 1HG GLU 124 13.344 -7.594 6.871 863 HG3 GLU 124 2HG GLU 124 12.620 -6.007 6.618 864 H GLU 125 H GLU 125 11.518 -9.214 9.914 865 HA GLU 125 HA GLU 125 8.947 -9.002 11.313 866 HB2 GLU 125 1HB GLU 125 9.526 -11.237 10.463 867 HB3 GLU 125 2HB GLU 125 11.023 -11.199 11.382 868 HG2 GLU 125 1HG GLU 125 9.767 -11.151 13.457 869 HG3 GLU 125 2HG GLU 125 8.253 -11.132 12.553 Start of MODEL 12 1 HA MET 21 HA MET 21 2.318 -16.294 0.625 2 HB2 MET 21 1HB MET 21 2.459 -14.918 2.614 3 HB3 MET 21 2HB MET 21 2.974 -16.551 3.008 4 HG2 MET 21 1HG MET 21 5.276 -15.886 3.013 5 HG3 MET 21 2HG MET 21 4.859 -14.281 2.419 6 HE1 MET 21 1HE MET 21 6.698 -14.821 4.958 7 HE2 MET 21 2HE MET 21 6.075 -13.637 6.105 8 HE3 MET 21 3HE MET 21 6.293 -13.194 4.413 9 H ARG 22 H ARG 22 1.867 -14.065 0.118 10 HA ARG 22 HA ARG 22 4.187 -12.729 -1.110 11 HB2 ARG 22 1HB ARG 22 1.361 -12.935 -2.124 12 HB3 ARG 22 2HB ARG 22 2.496 -11.735 -2.727 13 HG2 ARG 22 1HG ARG 22 4.032 -13.627 -3.314 14 HG3 ARG 22 2HG ARG 22 2.708 -14.726 -2.920 15 HD2 ARG 22 1HD ARG 22 1.316 -13.708 -4.615 16 HD3 ARG 22 2HD ARG 22 2.565 -12.514 -4.961 17 HE ARG 22 HE ARG 22 3.595 -15.122 -5.293 18 HH11 ARG 22 1HH1 ARG 22 1.466 -12.801 -6.818 19 HH12 ARG 22 2HH1 ARG 22 1.747 -13.406 -8.420 20 HH21 ARG 22 1HH2 ARG 22 3.970 -15.916 -7.410 21 HH22 ARG 22 2HH2 ARG 22 3.169 -15.169 -8.759 22 H LEU 23 H LEU 23 4.511 -10.644 -0.723 23 HA LEU 23 HA LEU 23 2.547 -9.262 0.976 24 HB2 LEU 23 1HB LEU 23 5.553 -9.015 0.897 25 HB3 LEU 23 2HB LEU 23 4.517 -7.892 1.751 26 HG LEU 23 HG LEU 23 3.677 -9.934 3.063 27 HD11 LEU 23 1HD1 LEU 23 6.219 -11.101 1.944 28 HD12 LEU 23 2HD1 LEU 23 4.582 -11.661 1.603 29 HD13 LEU 23 3HD1 LEU 23 5.237 -11.796 3.234 30 HD21 LEU 23 1HD2 LEU 23 5.548 -9.790 4.622 31 HD22 LEU 23 2HD2 LEU 23 5.092 -8.200 4.014 32 HD23 LEU 23 3HD2 LEU 23 6.526 -9.009 3.382 33 H VAL 24 H VAL 24 1.660 -7.500 0.182 34 HA VAL 24 HA VAL 24 2.712 -6.448 -2.361 35 HB VAL 24 HB VAL 24 -0.153 -6.463 -1.389 36 HG11 VAL 24 1HG1 VAL 24 -0.709 -5.804 -3.672 37 HG12 VAL 24 2HG1 VAL 24 1.004 -5.783 -4.094 38 HG13 VAL 24 3HG1 VAL 24 0.372 -4.627 -2.923 39 HG21 VAL 24 1HG2 VAL 24 -0.529 -8.207 -3.076 40 HG22 VAL 24 2HG2 VAL 24 0.609 -8.730 -1.834 41 HG23 VAL 24 3HG2 VAL 24 1.200 -8.237 -3.421 42 H VAL 25 H VAL 25 3.276 -4.380 -2.419 43 HA VAL 25 HA VAL 25 2.312 -2.583 -0.293 44 HB VAL 25 HB VAL 25 4.789 -2.183 -1.983 45 HG11 VAL 25 1HG1 VAL 25 3.841 -0.881 0.569 46 HG12 VAL 25 2HG1 VAL 25 3.860 -0.150 -1.037 47 HG13 VAL 25 3HG1 VAL 25 5.378 -0.559 -0.237 48 HG21 VAL 25 1HG2 VAL 25 4.615 -3.309 0.814 49 HG22 VAL 25 2HG2 VAL 25 6.099 -2.916 -0.055 50 HG23 VAL 25 3HG2 VAL 25 5.052 -4.210 -0.637 51 H LEU 26 H LEU 26 0.721 -1.339 -1.039 52 HA LEU 26 HA LEU 26 0.852 -0.439 -3.839 53 HB2 LEU 26 1HB LEU 26 -1.509 -0.901 -2.018 54 HB3 LEU 26 2HB LEU 26 -1.635 -0.054 -3.549 55 HG LEU 26 HG LEU 26 -0.577 -2.869 -3.324 56 HD11 LEU 26 1HD1 LEU 26 -2.759 -3.622 -4.103 57 HD12 LEU 26 2HD1 LEU 26 -3.378 -1.974 -3.973 58 HD13 LEU 26 3HD1 LEU 26 -2.874 -2.844 -2.523 59 HD21 LEU 26 1HD2 LEU 26 -1.639 -1.287 -5.657 60 HD22 LEU 26 2HD2 LEU 26 -1.027 -2.942 -5.705 61 HD23 LEU 26 3HD2 LEU 26 0.063 -1.609 -5.323 62 H ILE 27 H ILE 27 1.502 1.575 -4.048 63 HA ILE 27 HA ILE 27 1.212 3.359 -1.725 64 HB ILE 27 HB ILE 27 3.521 2.838 -2.419 65 HG12 ILE 27 1HG1 ILE 27 2.778 5.118 -1.449 66 HG13 ILE 27 2HG1 ILE 27 4.390 4.983 -2.136 67 HG21 ILE 27 1HG2 ILE 27 4.431 3.755 -4.510 68 HG22 ILE 27 2HG2 ILE 27 2.797 4.198 -5.003 69 HG23 ILE 27 3HG2 ILE 27 3.221 2.502 -4.777 70 HD11 ILE 27 1HD1 ILE 27 1.988 6.178 -3.499 71 HD12 ILE 27 2HD1 ILE 27 3.610 6.058 -4.180 72 HD13 ILE 27 3HD1 ILE 27 3.320 7.068 -2.764 73 H VAL 28 H VAL 28 0.062 5.199 -1.872 74 HA VAL 28 HA VAL 28 -1.177 5.789 -4.482 75 HB VAL 28 HB VAL 28 -2.142 6.527 -1.713 76 HG11 VAL 28 1HG1 VAL 28 -2.889 8.105 -3.396 77 HG12 VAL 28 2HG1 VAL 28 -4.240 7.117 -2.838 78 HG13 VAL 28 3HG1 VAL 28 -3.487 6.783 -4.399 79 HG21 VAL 28 1HG2 VAL 28 -3.858 4.820 -2.050 80 HG22 VAL 28 2HG2 VAL 28 -2.239 4.122 -2.077 81 HG23 VAL 28 3HG2 VAL 28 -3.115 4.378 -3.585 82 H SER 29 H SER 29 0.332 7.185 -5.324 83 HA SER 29 HA SER 29 -0.038 9.902 -4.715 84 HB2 SER 29 1HB SER 29 1.580 9.198 -2.853 85 HB3 SER 29 2HB SER 29 2.777 8.965 -4.123 86 HG SER 29 HG SER 29 1.461 11.367 -3.384 87 H ASN 30 H ASN 30 1.571 11.257 -6.125 88 HA ASN 30 HA ASN 30 2.960 9.612 -8.106 89 HB2 ASN 30 1HB ASN 30 0.854 10.282 -9.192 90 HB3 ASN 30 2HB ASN 30 1.204 11.972 -8.836 91 HD21 ASN 30 1HD2 ASN 30 1.180 12.539 -11.002 92 HD22 ASN 30 2HD2 ASN 30 2.466 12.111 -12.082 93 H ASP 31 H ASP 31 4.737 10.168 -6.790 94 HA ASP 31 HA ASP 31 5.854 12.784 -7.531 95 HB2 ASP 31 1HB ASP 31 5.405 12.721 -5.102 96 HB3 ASP 31 2HB ASP 31 6.366 11.256 -4.963 97 H LYS 32 H LYS 32 8.396 12.618 -7.501 98 HA LYS 32 HA LYS 32 9.063 10.165 -8.905 99 HB2 LYS 32 1HB LYS 32 10.690 12.657 -8.405 100 HB3 LYS 32 2HB LYS 32 11.249 11.272 -9.331 101 HG2 LYS 32 1HG LYS 32 9.299 11.613 -10.859 102 HG3 LYS 32 2HG LYS 32 8.969 13.115 -9.995 103 HD2 LYS 32 1HD LYS 32 10.240 13.573 -12.010 104 HD3 LYS 32 2HD LYS 32 11.220 13.923 -10.585 105 HE2 LYS 32 1HE LYS 32 12.430 11.869 -10.838 106 HE3 LYS 32 2HE LYS 32 11.350 11.333 -12.122 107 HZ1 LYS 32 1HZ LYS 32 13.137 13.698 -12.284 108 HZ2 LYS 32 2HZ LYS 32 12.161 13.090 -13.525 109 HZ3 LYS 32 3HZ LYS 32 13.469 12.183 -12.956 110 H LYS 33 H LYS 33 10.736 12.011 -6.357 111 HA LYS 33 HA LYS 33 12.498 9.947 -5.677 112 HB2 LYS 33 1HB LYS 33 13.009 11.283 -3.676 113 HB3 LYS 33 2HB LYS 33 12.943 12.279 -5.123 114 HG2 LYS 33 1HG LYS 33 10.585 12.858 -4.491 115 HG3 LYS 33 2HG LYS 33 10.882 12.054 -2.951 116 HD2 LYS 33 1HD LYS 33 12.680 13.607 -2.463 117 HD3 LYS 33 2HD LYS 33 12.458 14.383 -4.034 118 HE2 LYS 33 1HE LYS 33 10.479 14.285 -1.766 119 HE3 LYS 33 2HE LYS 33 11.363 15.698 -2.336 120 HZ1 LYS 33 1HZ LYS 33 9.365 14.172 -3.925 121 HZ2 LYS 33 2HZ LYS 33 10.193 15.559 -4.436 122 HZ3 LYS 33 3HZ LYS 33 9.088 15.658 -3.165 123 H LEU 34 H LEU 34 9.362 10.831 -4.292 124 HA LEU 34 HA LEU 34 9.411 9.163 -2.042 125 HB2 LEU 34 1HB LEU 34 7.759 10.968 -2.514 126 HB3 LEU 34 2HB LEU 34 7.040 9.953 -3.740 127 HG LEU 34 HG LEU 34 5.849 10.121 -1.489 128 HD11 LEU 34 1HD1 LEU 34 5.143 7.795 -1.528 129 HD12 LEU 34 2HD1 LEU 34 6.529 7.381 -2.537 130 HD13 LEU 34 3HD1 LEU 34 5.271 8.447 -3.162 131 HD21 LEU 34 1HD2 LEU 34 8.042 8.226 -0.679 132 HD22 LEU 34 2HD2 LEU 34 6.610 8.632 0.267 133 HD23 LEU 34 3HD2 LEU 34 7.821 9.868 -0.075 134 H ILE 35 H ILE 35 8.389 8.558 -5.358 135 HA ILE 35 HA ILE 35 7.483 5.895 -4.783 136 HB ILE 35 HB ILE 35 7.786 7.430 -7.361 137 HG12 ILE 35 1HG1 ILE 35 5.369 6.543 -5.763 138 HG13 ILE 35 2HG1 ILE 35 6.004 8.181 -5.847 139 HG21 ILE 35 1HG2 ILE 35 6.630 4.665 -6.961 140 HG22 ILE 35 2HG2 ILE 35 8.121 5.053 -7.820 141 HG23 ILE 35 3HG2 ILE 35 6.570 5.600 -8.456 142 HD11 ILE 35 1HD1 ILE 35 5.457 8.292 -8.204 143 HD12 ILE 35 2HD1 ILE 35 4.033 7.883 -7.250 144 HD13 ILE 35 3HD1 ILE 35 4.874 6.630 -8.161 145 H GLU 36 H GLU 36 10.250 7.324 -6.517 146 HA GLU 36 HA GLU 36 11.386 5.017 -7.538 147 HB2 GLU 36 1HB GLU 36 12.750 7.494 -6.480 148 HB3 GLU 36 2HB GLU 36 13.569 6.238 -7.394 149 HG2 GLU 36 1HG GLU 36 11.263 7.890 -8.397 150 HG3 GLU 36 2HG GLU 36 12.964 8.161 -8.781 151 H GLU 37 H GLU 37 12.219 6.569 -4.437 152 HA GLU 37 HA GLU 37 14.045 4.587 -3.638 153 HB2 GLU 37 1HB GLU 37 12.416 6.515 -1.970 154 HB3 GLU 37 2HB GLU 37 13.756 5.556 -1.360 155 HG2 GLU 37 1HG GLU 37 13.990 7.575 -3.577 156 HG3 GLU 37 2HG GLU 37 14.334 7.908 -1.882 157 H ALA 38 H ALA 38 10.606 5.030 -2.831 158 HA ALA 38 HA ALA 38 10.397 2.876 -1.039 159 HB1 ALA 38 1HB ALA 38 8.713 4.646 -1.201 160 HB2 ALA 38 2HB ALA 38 7.987 3.048 -1.372 161 HB3 ALA 38 3HB ALA 38 8.247 4.056 -2.796 162 H ARG 39 H ARG 39 9.840 3.076 -4.526 163 HA ARG 39 HA ARG 39 8.923 0.451 -4.926 164 HB2 ARG 39 1HB ARG 39 8.734 2.295 -6.576 165 HB3 ARG 39 2HB ARG 39 10.469 2.210 -6.841 166 HG2 ARG 39 1HG ARG 39 10.242 -0.050 -7.701 167 HG3 ARG 39 2HG ARG 39 8.504 -0.000 -7.400 168 HD2 ARG 39 1HD ARG 39 8.313 1.902 -8.950 169 HD3 ARG 39 2HD ARG 39 10.041 1.786 -9.280 170 HE ARG 39 HE ARG 39 9.020 -0.709 -9.807 171 HH11 ARG 39 1HH1 ARG 39 8.496 2.539 -10.995 172 HH12 ARG 39 2HH1 ARG 39 7.995 2.017 -12.572 173 HH21 ARG 39 1HH2 ARG 39 8.355 -1.404 -11.884 174 HH22 ARG 39 2HH2 ARG 39 7.915 -0.227 -13.080 175 H LYS 40 H LYS 40 12.167 1.851 -5.097 176 HA LYS 40 HA LYS 40 13.532 -0.490 -5.833 177 HB2 LYS 40 1HB LYS 40 14.404 2.001 -4.393 178 HB3 LYS 40 2HB LYS 40 15.527 0.713 -4.778 179 HG2 LYS 40 1HG LYS 40 14.884 0.971 -7.181 180 HG3 LYS 40 2HG LYS 40 13.949 2.391 -6.713 181 HD2 LYS 40 1HD LYS 40 16.915 2.015 -6.303 182 HD3 LYS 40 2HD LYS 40 16.166 3.009 -7.554 183 HE2 LYS 40 1HE LYS 40 15.186 4.441 -5.862 184 HE3 LYS 40 2HE LYS 40 15.836 3.416 -4.586 185 HZ1 LYS 40 1HZ LYS 40 17.171 5.402 -4.937 186 HZ2 LYS 40 2HZ LYS 40 17.463 4.943 -6.541 187 HZ3 LYS 40 3HZ LYS 40 18.061 3.997 -5.274 188 H MET 41 H MET 41 12.834 0.891 -2.635 189 HA MET 41 HA MET 41 14.306 -0.991 -1.152 190 HB2 MET 41 1HB MET 41 11.892 0.649 -0.370 191 HB3 MET 41 2HB MET 41 12.832 -0.312 0.764 192 HG2 MET 41 1HG MET 41 13.830 2.016 -0.858 193 HG3 MET 41 2HG MET 41 13.482 2.012 0.870 194 HE1 MET 41 1HE MET 41 15.946 3.068 1.191 195 HE2 MET 41 2HE MET 41 16.261 2.941 -0.538 196 HE3 MET 41 3HE MET 41 17.417 2.284 0.619 197 H ALA 42 H ALA 42 10.997 -0.979 -2.312 198 HA ALA 42 HA ALA 42 10.180 -3.333 -0.945 199 HB1 ALA 42 1HB ALA 42 8.244 -3.268 -2.448 200 HB2 ALA 42 2HB ALA 42 9.037 -2.019 -3.407 201 HB3 ALA 42 3HB ALA 42 8.573 -1.689 -1.737 202 H GLU 43 H GLU 43 11.146 -2.714 -4.319 203 HA GLU 43 HA GLU 43 10.874 -5.355 -5.229 204 HB2 GLU 43 1HB GLU 43 11.156 -3.253 -6.621 205 HB3 GLU 43 2HB GLU 43 12.874 -3.343 -6.262 206 HG2 GLU 43 1HG GLU 43 12.488 -4.298 -8.414 207 HG3 GLU 43 2HG GLU 43 12.924 -5.591 -7.297 208 H LYS 44 H LYS 44 13.574 -3.650 -3.762 209 HA LYS 44 HA LYS 44 15.588 -5.551 -4.174 210 HB2 LYS 44 1HB LYS 44 15.849 -3.173 -3.346 211 HB3 LYS 44 2HB LYS 44 15.328 -3.744 -1.770 212 HG2 LYS 44 1HG LYS 44 17.680 -3.654 -1.702 213 HG3 LYS 44 2HG LYS 44 17.255 -5.360 -1.834 214 HD2 LYS 44 1HD LYS 44 19.130 -4.799 -3.297 215 HD3 LYS 44 2HD LYS 44 17.719 -5.294 -4.234 216 HE2 LYS 44 1HE LYS 44 18.867 -3.335 -5.200 217 HE3 LYS 44 2HE LYS 44 17.200 -2.991 -4.749 218 HZ1 LYS 44 1HZ LYS 44 18.646 -1.194 -4.086 219 HZ2 LYS 44 2HZ LYS 44 19.621 -2.249 -3.194 220 HZ3 LYS 44 3HZ LYS 44 18.030 -1.957 -2.706 221 H ALA 45 H ALA 45 13.099 -5.295 -1.701 222 HA ALA 45 HA ALA 45 14.252 -7.593 -0.290 223 HB1 ALA 45 1HB ALA 45 12.078 -5.703 0.595 224 HB2 ALA 45 2HB ALA 45 13.779 -5.590 1.039 225 HB3 ALA 45 3HB ALA 45 12.820 -6.971 1.569 226 H ASN 46 H ASN 46 12.507 -7.449 -2.831 227 HA ASN 46 HA ASN 46 11.117 -8.895 -3.881 228 HB2 ASN 46 1HB ASN 46 11.453 -10.508 -1.349 229 HB3 ASN 46 2HB ASN 46 10.607 -11.087 -2.780 230 HD21 ASN 46 1HD2 ASN 46 12.997 -12.113 -1.469 231 HD22 ASN 46 2HD2 ASN 46 14.235 -12.118 -2.676 232 H LEU 47 H LEU 47 9.926 -6.710 -2.619 233 HA LEU 47 HA LEU 47 7.353 -7.828 -1.733 234 HB2 LEU 47 1HB LEU 47 8.447 -5.017 -1.637 235 HB3 LEU 47 2HB LEU 47 6.775 -5.394 -1.292 236 HG LEU 47 HG LEU 47 7.790 -5.161 0.798 237 HD11 LEU 47 1HD1 LEU 47 7.805 -8.112 0.220 238 HD12 LEU 47 2HD1 LEU 47 6.395 -7.147 0.655 239 HD13 LEU 47 3HD1 LEU 47 7.709 -7.361 1.812 240 HD21 LEU 47 1HD2 LEU 47 9.868 -6.301 1.443 241 HD22 LEU 47 2HD2 LEU 47 10.091 -5.141 0.134 242 HD23 LEU 47 3HD2 LEU 47 10.043 -6.870 -0.217 243 H GLU 48 H GLU 48 5.491 -7.515 -2.897 244 HA GLU 48 HA GLU 48 5.772 -6.699 -5.660 245 HB2 GLU 48 1HB GLU 48 4.343 -8.595 -5.166 246 HB3 GLU 48 2HB GLU 48 3.409 -7.649 -4.019 247 HG2 GLU 48 1HG GLU 48 2.120 -7.889 -5.998 248 HG3 GLU 48 2HG GLU 48 2.657 -6.211 -5.910 249 H LEU 49 H LEU 49 6.105 -4.483 -5.757 250 HA LEU 49 HA LEU 49 4.102 -2.836 -4.371 251 HB2 LEU 49 1HB LEU 49 6.496 -2.445 -3.758 252 HB3 LEU 49 2HB LEU 49 6.790 -1.935 -5.410 253 HG LEU 49 HG LEU 49 4.653 -0.540 -3.853 254 HD11 LEU 49 1HD1 LEU 49 6.320 1.028 -2.962 255 HD12 LEU 49 2HD1 LEU 49 7.606 -0.030 -3.541 256 HD13 LEU 49 3HD1 LEU 49 6.499 -0.592 -2.291 257 HD21 LEU 49 1HD2 LEU 49 6.679 0.402 -5.881 258 HD22 LEU 49 2HD2 LEU 49 5.375 1.367 -5.187 259 HD23 LEU 49 3HD2 LEU 49 4.999 -0.013 -6.219 260 H ILE 50 H ILE 50 2.669 -1.804 -5.502 261 HA ILE 50 HA ILE 50 3.208 -1.277 -8.345 262 HB ILE 50 HB ILE 50 0.692 -2.273 -7.036 263 HG12 ILE 50 1HG1 ILE 50 2.189 -3.072 -9.541 264 HG13 ILE 50 2HG1 ILE 50 2.245 -3.910 -7.994 265 HG21 ILE 50 1HG2 ILE 50 -0.561 -1.734 -9.066 266 HG22 ILE 50 2HG2 ILE 50 0.844 -0.882 -9.705 267 HG23 ILE 50 3HG2 ILE 50 0.032 -0.281 -8.257 268 HD11 ILE 50 1HD1 ILE 50 0.805 -5.037 -9.608 269 HD12 ILE 50 2HD1 ILE 50 -0.201 -3.592 -9.716 270 HD13 ILE 50 3HD1 ILE 50 -0.098 -4.484 -8.199 271 H THR 51 H THR 51 2.923 0.766 -9.006 272 HA THR 51 HA THR 51 2.365 2.770 -7.011 273 HB THR 51 HB THR 51 2.879 3.190 -9.961 274 HG1 THR 51 HG1 THR 51 4.644 2.083 -9.018 275 HG21 THR 51 1HG2 THR 51 1.924 5.105 -8.738 276 HG22 THR 51 2HG2 THR 51 3.577 5.414 -9.269 277 HG23 THR 51 3HG2 THR 51 3.253 5.010 -7.582 278 H VAL 52 H VAL 52 0.376 3.383 -6.549 279 HA VAL 52 HA VAL 52 -1.779 2.896 -8.455 280 HB VAL 52 HB VAL 52 -1.805 3.674 -5.530 281 HG11 VAL 52 1HG1 VAL 52 -4.182 3.018 -7.267 282 HG12 VAL 52 2HG1 VAL 52 -3.722 4.651 -6.775 283 HG13 VAL 52 3HG1 VAL 52 -4.202 3.462 -5.562 284 HG21 VAL 52 1HG2 VAL 52 -2.586 1.115 -6.920 285 HG22 VAL 52 2HG2 VAL 52 -2.715 1.433 -5.191 286 HG23 VAL 52 3HG2 VAL 52 -1.129 1.373 -5.960 287 HA PRO 53 HA PRO 53 -2.476 7.251 -9.559 288 HB2 PRO 53 1HB PRO 53 -5.269 6.976 -9.213 289 HB3 PRO 53 2HB PRO 53 -4.377 6.866 -10.733 290 HG2 PRO 53 1HG PRO 53 -5.339 4.700 -8.934 291 HG3 PRO 53 2HG PRO 53 -5.197 4.716 -10.703 292 HD2 PRO 53 1HD PRO 53 -3.451 3.372 -9.210 293 HD3 PRO 53 2HD PRO 53 -2.906 4.277 -10.639 294 H GLY 54 H GLY 54 -3.549 9.088 -8.515 295 HA2 GLY 54 1HA GLY 54 -2.676 9.123 -5.811 296 HA3 GLY 54 2HA GLY 54 -3.362 10.472 -6.692 297 H SER 55 H SER 55 -5.413 7.758 -6.690 298 HA SER 55 HA SER 55 -6.934 8.894 -4.449 299 HB2 SER 55 1HB SER 55 -8.854 7.594 -5.514 300 HB3 SER 55 2HB SER 55 -8.300 9.049 -6.354 301 HG SER 55 HG SER 55 -8.394 6.526 -7.258 302 HA PRO 56 HA PRO 56 -5.881 5.320 -2.186 303 HB2 PRO 56 1HB PRO 56 -7.630 5.547 -0.161 304 HB3 PRO 56 2HB PRO 56 -6.312 6.697 -0.404 305 HG2 PRO 56 1HG PRO 56 -9.184 6.953 -1.221 306 HG3 PRO 56 2HG PRO 56 -8.167 8.122 -0.350 307 HD2 PRO 56 1HD PRO 56 -8.582 8.297 -3.007 308 HD3 PRO 56 2HD PRO 56 -7.034 8.752 -2.267 309 H GLU 57 H GLU 57 -9.139 5.711 -3.358 310 HA GLU 57 HA GLU 57 -10.181 3.250 -2.414 311 HB2 GLU 57 1HB GLU 57 -11.580 5.177 -3.058 312 HB3 GLU 57 2HB GLU 57 -11.085 4.964 -4.729 313 HG2 GLU 57 1HG GLU 57 -12.180 2.810 -4.815 314 HG3 GLU 57 2HG GLU 57 -12.618 2.944 -3.111 315 H GLU 58 H GLU 58 -8.801 4.272 -5.511 316 HA GLU 58 HA GLU 58 -9.157 1.907 -6.942 317 HB2 GLU 58 1HB GLU 58 -7.236 4.188 -7.123 318 HB3 GLU 58 2HB GLU 58 -6.952 2.761 -8.108 319 HG2 GLU 58 1HG GLU 58 -8.176 4.563 -9.276 320 HG3 GLU 58 2HG GLU 58 -9.044 3.031 -9.227 321 H ALA 59 H ALA 59 -6.633 2.849 -4.681 322 HA ALA 59 HA ALA 59 -4.814 0.771 -5.187 323 HB1 ALA 59 1HB ALA 59 -3.872 1.280 -3.008 324 HB2 ALA 59 2HB ALA 59 -5.315 2.197 -2.578 325 HB3 ALA 59 3HB ALA 59 -4.261 2.766 -3.867 326 H ILE 60 H ILE 60 -7.353 1.038 -2.722 327 HA ILE 60 HA ILE 60 -6.776 -1.487 -1.572 328 HB ILE 60 HB ILE 60 -9.342 0.080 -1.329 329 HG12 ILE 60 1HG1 ILE 60 -6.814 0.253 0.328 330 HG13 ILE 60 2HG1 ILE 60 -7.345 1.463 -0.836 331 HG21 ILE 60 1HG2 ILE 60 -8.028 -1.925 0.506 332 HG22 ILE 60 2HG2 ILE 60 -9.452 -2.218 -0.491 333 HG23 ILE 60 3HG2 ILE 60 -9.526 -1.053 0.831 334 HD11 ILE 60 1HD1 ILE 60 -7.852 2.128 1.437 335 HD12 ILE 60 2HD1 ILE 60 -8.800 0.660 1.665 336 HD13 ILE 60 3HD1 ILE 60 -9.329 1.880 0.508 337 H ARG 61 H ARG 61 -8.994 -0.419 -4.080 338 HA ARG 61 HA ARG 61 -10.371 -2.913 -4.241 339 HB2 ARG 61 1HB ARG 61 -10.156 -0.610 -6.181 340 HB3 ARG 61 2HB ARG 61 -11.148 -2.035 -6.474 341 HG2 ARG 61 1HG ARG 61 -12.352 -1.555 -4.351 342 HG3 ARG 61 2HG ARG 61 -11.438 -0.053 -4.228 343 HD2 ARG 61 1HD ARG 61 -12.397 0.732 -6.311 344 HD3 ARG 61 2HD ARG 61 -13.247 -0.801 -6.522 345 HE ARG 61 HE ARG 61 -13.974 0.254 -4.041 346 HH11 ARG 61 1HH1 ARG 61 -14.404 0.998 -7.437 347 HH12 ARG 61 2HH1 ARG 61 -15.891 1.856 -7.184 348 HH21 ARG 61 1HH2 ARG 61 -15.928 1.355 -3.714 349 HH22 ARG 61 2HH2 ARG 61 -16.772 2.043 -5.068 350 H LEU 62 H LEU 62 -7.458 -1.593 -5.678 351 HA LEU 62 HA LEU 62 -7.041 -3.765 -7.484 352 HB2 LEU 62 1HB LEU 62 -5.932 -1.543 -7.693 353 HB3 LEU 62 2HB LEU 62 -5.005 -1.901 -6.251 354 HG LEU 62 HG LEU 62 -3.936 -3.793 -7.411 355 HD11 LEU 62 1HD1 LEU 62 -5.713 -4.361 -8.968 356 HD12 LEU 62 2HD1 LEU 62 -4.213 -4.036 -9.836 357 HD13 LEU 62 3HD1 LEU 62 -5.494 -2.825 -9.804 358 HD21 LEU 62 1HD2 LEU 62 -3.760 -1.165 -8.879 359 HD22 LEU 62 2HD2 LEU 62 -2.569 -2.464 -8.945 360 HD23 LEU 62 3HD2 LEU 62 -2.861 -1.614 -7.429 361 H ALA 63 H ALA 63 -6.272 -3.082 -4.141 362 HA ALA 63 HA ALA 63 -4.600 -5.242 -3.561 363 HB1 ALA 63 1HB ALA 63 -5.371 -4.986 -1.239 364 HB2 ALA 63 2HB ALA 63 -6.667 -3.926 -1.794 365 HB3 ALA 63 3HB ALA 63 -4.984 -3.433 -1.979 366 H GLN 64 H GLN 64 -8.126 -5.009 -3.649 367 HA GLN 64 HA GLN 64 -8.687 -7.629 -2.783 368 HB2 GLN 64 1HB GLN 64 -10.277 -5.780 -4.568 369 HB3 GLN 64 2HB GLN 64 -10.897 -7.281 -3.893 370 HG2 GLN 64 1HG GLN 64 -9.950 -4.894 -2.321 371 HG3 GLN 64 2HG GLN 64 -11.628 -5.352 -2.604 372 HE21 GLN 64 1HE2 GLN 64 -8.679 -6.157 -0.946 373 HE22 GLN 64 2HE2 GLN 64 -9.381 -7.248 0.193 374 H GLU 65 H GLU 65 -7.866 -6.294 -5.899 375 HA GLU 65 HA GLU 65 -8.440 -8.627 -7.430 376 HB2 GLU 65 1HB GLU 65 -8.190 -6.284 -8.331 377 HB3 GLU 65 2HB GLU 65 -6.460 -6.430 -8.058 378 HG2 GLU 65 1HG GLU 65 -6.921 -6.862 -10.361 379 HG3 GLU 65 2HG GLU 65 -6.427 -8.370 -9.588 380 H ILE 66 H ILE 66 -5.398 -7.191 -6.266 381 HA ILE 66 HA ILE 66 -3.719 -9.219 -7.219 382 HB ILE 66 HB ILE 66 -3.252 -7.347 -4.894 383 HG12 ILE 66 1HG1 ILE 66 -2.495 -7.079 -7.813 384 HG13 ILE 66 2HG1 ILE 66 -3.816 -6.216 -7.027 385 HG21 ILE 66 1HG2 ILE 66 -1.282 -8.892 -6.578 386 HG22 ILE 66 2HG2 ILE 66 -1.693 -9.224 -4.895 387 HG23 ILE 66 3HG2 ILE 66 -0.874 -7.722 -5.323 388 HD11 ILE 66 1HD1 ILE 66 -0.886 -5.957 -6.387 389 HD12 ILE 66 2HD1 ILE 66 -2.195 -5.123 -5.550 390 HD13 ILE 66 3HD1 ILE 66 -1.884 -4.789 -7.252 391 H ALA 67 H ALA 67 -5.293 -8.831 -4.060 392 HA ALA 67 HA ALA 67 -3.912 -10.994 -2.830 393 HB1 ALA 67 1HB ALA 67 -5.500 -10.742 -1.010 394 HB2 ALA 67 2HB ALA 67 -6.515 -9.711 -2.017 395 HB3 ALA 67 3HB ALA 67 -4.906 -9.169 -1.539 396 H GLU 68 H GLU 68 -6.804 -10.777 -4.760 397 HA GLU 68 HA GLU 68 -7.710 -13.431 -4.070 398 HB2 GLU 68 1HB GLU 68 -9.289 -11.621 -4.716 399 HB3 GLU 68 2HB GLU 68 -8.595 -11.626 -6.331 400 HG2 GLU 68 1HG GLU 68 -10.631 -12.863 -6.379 401 HG3 GLU 68 2HG GLU 68 -9.292 -13.993 -6.568 402 H LYS 69 H LYS 69 -5.579 -11.974 -6.307 403 HA LYS 69 HA LYS 69 -5.520 -14.361 -8.002 404 HB2 LYS 69 1HB LYS 69 -4.345 -11.603 -8.403 405 HB3 LYS 69 2HB LYS 69 -4.188 -12.933 -9.543 406 HG2 LYS 69 1HG LYS 69 -6.843 -11.840 -8.656 407 HG3 LYS 69 2HG LYS 69 -5.973 -11.241 -10.069 408 HD2 LYS 69 1HD LYS 69 -6.016 -13.481 -11.045 409 HD3 LYS 69 2HD LYS 69 -6.862 -14.091 -9.623 410 HE2 LYS 69 1HE LYS 69 -8.372 -13.664 -11.526 411 HE3 LYS 69 2HE LYS 69 -8.770 -12.697 -10.108 412 HZ1 LYS 69 1HZ LYS 69 -8.784 -11.517 -12.314 413 HZ2 LYS 69 2HZ LYS 69 -7.098 -11.647 -12.311 414 HZ3 LYS 69 3HZ LYS 69 -7.884 -10.777 -11.087 415 H ALA 70 H ALA 70 -4.198 -13.623 -5.239 416 HA ALA 70 HA ALA 70 -1.436 -14.327 -5.930 417 HB1 ALA 70 1HB ALA 70 -1.761 -12.378 -4.465 418 HB2 ALA 70 2HB ALA 70 -0.863 -13.670 -3.665 419 HB3 ALA 70 3HB ALA 70 -2.566 -13.418 -3.289 420 HA PRO 71 HA PRO 71 -2.285 -18.396 -4.341 421 HB2 PRO 71 1HB PRO 71 0.133 -19.478 -4.749 422 HB3 PRO 71 2HB PRO 71 -0.936 -19.067 -6.093 423 HG2 PRO 71 1HG PRO 71 1.482 -17.654 -5.095 424 HG3 PRO 71 2HG PRO 71 0.872 -17.808 -6.751 425 HD2 PRO 71 1HD PRO 71 0.534 -15.596 -5.053 426 HD3 PRO 71 2HD PRO 71 -0.339 -15.901 -6.564 427 H GLY 72 H GLY 72 -2.616 -18.296 -2.169 428 HA2 GLY 72 1HA GLY 72 -1.767 -19.360 -0.175 429 HA3 GLY 72 2HA GLY 72 -0.192 -18.670 -0.534 430 HA PRO 73 HA PRO 73 -2.180 -16.028 2.748 431 HB2 PRO 73 1HB PRO 73 0.628 -15.944 3.660 432 HB3 PRO 73 2HB PRO 73 -0.840 -16.294 4.578 433 HG2 PRO 73 1HG PRO 73 0.909 -18.225 3.970 434 HG3 PRO 73 2HG PRO 73 -0.838 -18.529 3.981 435 HD2 PRO 73 1HD PRO 73 0.989 -18.065 1.651 436 HD3 PRO 73 2HD PRO 73 -0.342 -19.228 1.824 437 H VAL 74 H VAL 74 -2.325 -13.879 2.511 438 HA VAL 74 HA VAL 74 -0.190 -12.520 0.996 439 HB VAL 74 HB VAL 74 -3.140 -11.896 0.774 440 HG11 VAL 74 1HG1 VAL 74 -2.465 -10.592 -1.185 441 HG12 VAL 74 2HG1 VAL 74 -0.777 -10.998 -0.872 442 HG13 VAL 74 3HG1 VAL 74 -1.677 -10.015 0.284 443 HG21 VAL 74 1HG2 VAL 74 -1.421 -13.436 -1.165 444 HG22 VAL 74 2HG2 VAL 74 -3.111 -12.982 -1.393 445 HG23 VAL 74 3HG2 VAL 74 -2.668 -14.127 -0.128 446 H LYS 75 H LYS 75 0.448 -10.567 1.725 447 HA LYS 75 HA LYS 75 -1.201 -9.217 3.769 448 HB2 LYS 75 1HB LYS 75 1.816 -9.134 3.496 449 HB3 LYS 75 2HB LYS 75 0.873 -8.223 4.661 450 HG2 LYS 75 1HG LYS 75 0.171 -10.328 5.716 451 HG3 LYS 75 2HG LYS 75 1.176 -11.216 4.564 452 HD2 LYS 75 1HD LYS 75 3.150 -9.987 5.372 453 HD3 LYS 75 2HD LYS 75 2.137 -9.155 6.550 454 HE2 LYS 75 1HE LYS 75 1.592 -11.317 7.581 455 HE3 LYS 75 2HE LYS 75 2.641 -12.125 6.417 456 HZ1 LYS 75 1HZ LYS 75 3.794 -11.783 8.493 457 HZ2 LYS 75 2HZ LYS 75 3.493 -10.121 8.434 458 HZ3 LYS 75 3HZ LYS 75 4.507 -10.836 7.288 459 H VAL 76 H VAL 76 -1.871 -7.212 3.120 460 HA VAL 76 HA VAL 76 -0.373 -5.961 0.910 461 HB VAL 76 HB VAL 76 -3.353 -5.729 1.328 462 HG11 VAL 76 1HG1 VAL 76 -1.565 -4.824 -0.922 463 HG12 VAL 76 2HG1 VAL 76 -2.378 -3.792 0.255 464 HG13 VAL 76 3HG1 VAL 76 -3.325 -4.716 -0.911 465 HG21 VAL 76 1HG2 VAL 76 -2.820 -8.001 0.651 466 HG22 VAL 76 2HG2 VAL 76 -1.847 -7.393 -0.687 467 HG23 VAL 76 3HG2 VAL 76 -3.590 -7.132 -0.676 468 H LEU 77 H LEU 77 0.353 -3.984 1.308 469 HA LEU 77 HA LEU 77 -0.909 -2.457 3.488 470 HB2 LEU 77 1HB LEU 77 1.329 -3.198 4.118 471 HB3 LEU 77 2HB LEU 77 1.994 -2.493 2.658 472 HG LEU 77 HG LEU 77 1.484 -0.256 3.453 473 HD11 LEU 77 1HD1 LEU 77 -0.566 -0.747 4.669 474 HD12 LEU 77 2HD1 LEU 77 0.585 0.121 5.686 475 HD13 LEU 77 3HD1 LEU 77 0.359 -1.617 5.894 476 HD21 LEU 77 1HD2 LEU 77 3.010 -0.158 5.343 477 HD22 LEU 77 2HD2 LEU 77 3.610 -1.272 4.116 478 HD23 LEU 77 3HD2 LEU 77 2.849 -1.898 5.579 479 H VAL 78 H VAL 78 -1.900 -0.707 2.821 480 HA VAL 78 HA VAL 78 -1.161 0.481 0.244 481 HB VAL 78 HB VAL 78 -3.610 0.954 1.952 482 HG11 VAL 78 1HG1 VAL 78 -3.063 2.894 0.591 483 HG12 VAL 78 2HG1 VAL 78 -4.514 2.099 -0.018 484 HG13 VAL 78 3HG1 VAL 78 -2.974 1.878 -0.847 485 HG21 VAL 78 1HG2 VAL 78 -3.270 -0.668 -0.568 486 HG22 VAL 78 2HG2 VAL 78 -4.804 -0.331 0.231 487 HG23 VAL 78 3HG2 VAL 78 -3.579 -1.301 1.049 488 H LEU 79 H LEU 79 0.117 2.186 0.269 489 HA LEU 79 HA LEU 79 0.347 3.767 2.729 490 HB2 LEU 79 1HB LEU 79 2.149 3.512 0.325 491 HB3 LEU 79 2HB LEU 79 2.389 4.725 1.564 492 HG LEU 79 HG LEU 79 3.897 2.955 2.014 493 HD11 LEU 79 1HD1 LEU 79 3.235 2.213 4.222 494 HD12 LEU 79 2HD1 LEU 79 1.559 2.635 3.883 495 HD13 LEU 79 3HD1 LEU 79 2.784 3.900 3.976 496 HD21 LEU 79 1HD2 LEU 79 3.183 0.629 2.335 497 HD22 LEU 79 2HD2 LEU 79 2.891 1.204 0.693 498 HD23 LEU 79 3HD2 LEU 79 1.551 1.076 1.833 499 H ILE 80 H ILE 80 -1.237 5.240 2.678 500 HA ILE 80 HA ILE 80 -1.825 6.742 0.271 501 HB ILE 80 HB ILE 80 -2.868 7.152 3.083 502 HG12 ILE 80 1HG1 ILE 80 -4.132 5.655 0.773 503 HG13 ILE 80 2HG1 ILE 80 -3.369 4.894 2.166 504 HG21 ILE 80 1HG2 ILE 80 -4.693 8.367 1.976 505 HG22 ILE 80 2HG2 ILE 80 -3.891 8.141 0.421 506 HG23 ILE 80 3HG2 ILE 80 -3.127 9.119 1.675 507 HD11 ILE 80 1HD1 ILE 80 -5.037 5.923 3.629 508 HD12 ILE 80 2HD1 ILE 80 -5.775 4.900 2.396 509 HD13 ILE 80 3HD1 ILE 80 -5.808 6.655 2.221 510 H THR 81 H THR 81 -0.440 8.308 -0.313 511 HA THR 81 HA THR 81 1.162 9.636 1.719 512 HB THR 81 HB THR 81 1.225 10.158 -1.251 513 HG1 THR 81 HG1 THR 81 1.714 7.863 -0.115 514 HG21 THR 81 1HG2 THR 81 3.295 10.486 0.929 515 HG22 THR 81 2HG2 THR 81 2.400 11.789 0.145 516 HG23 THR 81 3HG2 THR 81 3.545 10.821 -0.785 517 H GLY 82 H GLY 82 0.662 11.521 2.570 518 HA2 GLY 82 1HA GLY 82 -0.056 13.773 2.521 519 HA3 GLY 82 2HA GLY 82 -0.972 13.426 1.059 520 H SER 83 H SER 83 -2.049 14.811 3.242 521 HA SER 83 HA SER 83 -3.557 13.071 4.912 522 HB2 SER 83 1HB SER 83 -4.904 15.299 5.228 523 HB3 SER 83 2HB SER 83 -3.257 15.179 5.847 524 HG SER 83 HG SER 83 -4.276 16.757 3.849 525 H ALA 84 H ALA 84 -5.318 11.956 4.426 526 HA ALA 84 HA ALA 84 -6.490 12.195 1.814 527 HB1 ALA 84 1HB ALA 84 -7.838 10.271 2.465 528 HB2 ALA 84 2HB ALA 84 -7.268 10.422 4.127 529 HB3 ALA 84 3HB ALA 84 -6.136 10.002 2.841 530 H ASP 85 H ASP 85 -8.118 13.448 1.290 531 HA ASP 85 HA ASP 85 -9.525 15.085 3.085 532 HB2 ASP 85 1HB ASP 85 -10.027 14.290 0.222 533 HB3 ASP 85 2HB ASP 85 -11.126 15.355 1.087 534 HA PRO 86 HA PRO 86 -12.486 12.670 5.197 535 HB2 PRO 86 1HB PRO 86 -14.412 14.654 4.039 536 HB3 PRO 86 2HB PRO 86 -14.306 14.023 5.688 537 HG2 PRO 86 1HG PRO 86 -13.306 16.414 5.091 538 HG3 PRO 86 2HG PRO 86 -12.469 15.332 6.217 539 HD2 PRO 86 1HD PRO 86 -11.757 16.082 3.444 540 HD3 PRO 86 2HD PRO 86 -10.716 15.534 4.772 541 H ASP 87 H ASP 87 -13.726 13.776 2.020 542 HA ASP 87 HA ASP 87 -15.618 11.690 1.819 543 HB2 ASP 87 1HB ASP 87 -16.119 12.479 -0.336 544 HB3 ASP 87 2HB ASP 87 -15.612 13.910 0.546 545 H GLU 88 H GLU 88 -12.316 12.000 0.590 546 HA GLU 88 HA GLU 88 -12.410 9.505 -0.822 547 HB2 GLU 88 1HB GLU 88 -10.080 11.253 -0.023 548 HB3 GLU 88 2HB GLU 88 -9.943 9.819 -1.031 549 HG2 GLU 88 1HG GLU 88 -11.531 10.892 -2.627 550 HG3 GLU 88 2HG GLU 88 -11.414 12.361 -1.662 551 H LYS 89 H LYS 89 -11.350 10.598 2.323 552 HA LYS 89 HA LYS 89 -10.022 8.229 3.104 553 HB2 LYS 89 1HB LYS 89 -9.987 10.585 4.176 554 HB3 LYS 89 2HB LYS 89 -11.446 10.077 5.009 555 HG2 LYS 89 1HG LYS 89 -8.906 8.485 5.157 556 HG3 LYS 89 2HG LYS 89 -9.220 9.842 6.233 557 HD2 LYS 89 1HD LYS 89 -11.020 7.439 5.941 558 HD3 LYS 89 2HD LYS 89 -9.804 7.632 7.206 559 HE2 LYS 89 1HE LYS 89 -12.181 9.430 6.732 560 HE3 LYS 89 2HE LYS 89 -12.023 8.236 8.018 561 HZ1 LYS 89 1HZ LYS 89 -10.158 9.487 8.904 562 HZ2 LYS 89 2HZ LYS 89 -11.534 10.464 8.805 563 HZ3 LYS 89 3HZ LYS 89 -10.298 10.628 7.664 564 H THR 90 H THR 90 -13.376 9.296 3.284 565 HA THR 90 HA THR 90 -14.331 7.133 4.830 566 HB THR 90 HB THR 90 -15.850 8.802 2.816 567 HG1 THR 90 HG1 THR 90 -15.098 10.206 4.336 568 HG21 THR 90 1HG2 THR 90 -16.813 7.139 5.149 569 HG22 THR 90 2HG2 THR 90 -17.048 6.765 3.442 570 HG23 THR 90 3HG2 THR 90 -17.822 8.183 4.148 571 H LYS 91 H LYS 91 -14.100 7.631 1.308 572 HA LYS 91 HA LYS 91 -15.287 5.176 0.572 573 HB2 LYS 91 1HB LYS 91 -13.174 6.729 -0.937 574 HB3 LYS 91 2HB LYS 91 -14.221 5.488 -1.608 575 HG2 LYS 91 1HG LYS 91 -16.161 6.996 -0.919 576 HG3 LYS 91 2HG LYS 91 -14.942 8.252 -0.701 577 HD2 LYS 91 1HD LYS 91 -15.575 6.748 -3.239 578 HD3 LYS 91 2HD LYS 91 -15.889 8.450 -2.908 579 HE2 LYS 91 1HE LYS 91 -13.471 8.847 -2.740 580 HE3 LYS 91 2HE LYS 91 -13.172 7.148 -3.097 581 HZ1 LYS 91 1HZ LYS 91 -14.400 9.165 -4.893 582 HZ2 LYS 91 2HZ LYS 91 -14.356 7.511 -5.235 583 HZ3 LYS 91 3HZ LYS 91 -12.912 8.380 -5.098 584 H ALA 92 H ALA 92 -11.988 6.103 1.350 585 HA ALA 92 HA ALA 92 -10.795 3.616 0.676 586 HB1 ALA 92 1HB ALA 92 -9.518 5.713 0.849 587 HB2 ALA 92 2HB ALA 92 -8.850 4.446 1.878 588 HB3 ALA 92 3HB ALA 92 -9.818 5.740 2.586 589 H LYS 93 H LYS 93 -12.134 5.015 3.607 590 HA LYS 93 HA LYS 93 -11.419 3.008 5.413 591 HB2 LYS 93 1HB LYS 93 -12.349 5.225 6.039 592 HB3 LYS 93 2HB LYS 93 -13.914 4.719 5.419 593 HG2 LYS 93 1HG LYS 93 -13.922 4.527 7.801 594 HG3 LYS 93 2HG LYS 93 -13.943 2.908 7.102 595 HD2 LYS 93 1HD LYS 93 -11.553 2.683 7.502 596 HD3 LYS 93 2HD LYS 93 -11.493 4.326 8.146 597 HE2 LYS 93 1HE LYS 93 -13.024 3.662 9.943 598 HE3 LYS 93 2HE LYS 93 -13.055 2.020 9.303 599 HZ1 LYS 93 1HZ LYS 93 -10.643 3.427 10.313 600 HZ2 LYS 93 2HZ LYS 93 -10.692 1.843 9.728 601 HZ3 LYS 93 3HZ LYS 93 -11.510 2.241 11.150 602 H LYS 94 H LYS 94 -14.284 3.395 3.381 603 HA LYS 94 HA LYS 94 -15.657 1.091 4.183 604 HB2 LYS 94 1HB LYS 94 -15.662 2.613 1.582 605 HB3 LYS 94 2HB LYS 94 -16.751 1.273 1.909 606 HG2 LYS 94 1HG LYS 94 -17.714 2.484 3.780 607 HG3 LYS 94 2HG LYS 94 -16.590 3.817 3.509 608 HD2 LYS 94 1HD LYS 94 -17.568 4.299 1.380 609 HD3 LYS 94 2HD LYS 94 -18.559 2.841 1.449 610 HE2 LYS 94 1HE LYS 94 -18.765 5.186 3.334 611 HE3 LYS 94 2HE LYS 94 -19.840 4.878 1.972 612 HZ1 LYS 94 1HZ LYS 94 -20.805 4.110 4.042 613 HZ2 LYS 94 2HZ LYS 94 -19.478 3.103 4.325 614 HZ3 LYS 94 3HZ LYS 94 -20.502 2.798 3.015 615 H ALA 95 H ALA 95 -13.451 1.594 1.444 616 HA ALA 95 HA ALA 95 -13.571 -1.043 0.473 617 HB1 ALA 95 1HB ALA 95 -12.778 0.829 -0.873 618 HB2 ALA 95 2HB ALA 95 -11.578 -0.463 -0.816 619 HB3 ALA 95 3HB ALA 95 -11.362 0.988 0.165 620 H ALA 96 H ALA 96 -11.318 0.529 2.723 621 HA ALA 96 HA ALA 96 -9.517 -1.610 2.993 622 HB1 ALA 96 1HB ALA 96 -9.043 0.685 3.740 623 HB2 ALA 96 2HB ALA 96 -8.746 -0.506 5.007 624 HB3 ALA 96 3HB ALA 96 -10.206 0.483 5.050 625 H GLU 97 H GLU 97 -12.514 -0.854 4.682 626 HA GLU 97 HA GLU 97 -12.255 -2.789 6.718 627 HB2 GLU 97 1HB GLU 97 -13.834 -0.881 6.779 628 HB3 GLU 97 2HB GLU 97 -14.786 -1.652 5.519 629 HG2 GLU 97 1HG GLU 97 -15.376 -3.451 6.956 630 HG3 GLU 97 2HG GLU 97 -14.236 -2.913 8.189 631 H GLU 98 H GLU 98 -13.588 -2.917 3.460 632 HA GLU 98 HA GLU 98 -14.528 -5.624 3.727 633 HB2 GLU 98 1HB GLU 98 -14.061 -3.960 1.245 634 HB3 GLU 98 2HB GLU 98 -14.901 -5.504 1.295 635 HG2 GLU 98 1HG GLU 98 -15.773 -2.922 2.564 636 HG3 GLU 98 2HG GLU 98 -16.506 -3.736 1.183 637 H ALA 99 H ALA 99 -11.552 -4.106 3.071 638 HA ALA 99 HA ALA 99 -10.452 -6.339 1.576 639 HB1 ALA 99 1HB ALA 99 -8.483 -4.959 1.337 640 HB2 ALA 99 2HB ALA 99 -9.118 -3.801 2.505 641 HB3 ALA 99 3HB ALA 99 -9.923 -4.018 0.950 642 H ARG 100 H ARG 100 -10.739 -5.382 4.808 643 HA ARG 100 HA ARG 100 -8.302 -6.133 5.926 644 HB2 ARG 100 1HB ARG 100 -10.080 -4.868 7.097 645 HB3 ARG 100 2HB ARG 100 -11.039 -6.338 7.189 646 HG2 ARG 100 1HG ARG 100 -9.354 -7.384 8.580 647 HG3 ARG 100 2HG ARG 100 -8.329 -5.956 8.440 648 HD2 ARG 100 1HD ARG 100 -10.033 -4.616 9.563 649 HD3 ARG 100 2HD ARG 100 -11.073 -6.036 9.689 650 HE ARG 100 HE ARG 100 -8.628 -6.671 10.857 651 HH11 ARG 100 1HH1 ARG 100 -11.309 -4.495 11.437 652 HH12 ARG 100 2HH1 ARG 100 -11.060 -4.453 13.152 653 HH21 ARG 100 1HH2 ARG 100 -8.308 -6.628 13.109 654 HH22 ARG 100 2HH2 ARG 100 -9.364 -5.678 14.103 655 H LYS 101 H LYS 101 -10.922 -8.085 4.782 656 HA LYS 101 HA LYS 101 -10.450 -10.454 6.202 657 HB2 LYS 101 1HB LYS 101 -11.679 -11.568 4.371 658 HB3 LYS 101 2HB LYS 101 -12.494 -10.124 4.950 659 HG2 LYS 101 1HG LYS 101 -11.490 -8.890 3.015 660 HG3 LYS 101 2HG LYS 101 -10.925 -10.445 2.404 661 HD2 LYS 101 1HD LYS 101 -13.223 -11.255 2.305 662 HD3 LYS 101 2HD LYS 101 -13.803 -9.727 2.966 663 HE2 LYS 101 1HE LYS 101 -12.782 -8.584 0.984 664 HE3 LYS 101 2HE LYS 101 -12.458 -10.179 0.308 665 HZ1 LYS 101 1HZ LYS 101 -14.505 -9.253 -0.565 666 HZ2 LYS 101 2HZ LYS 101 -15.139 -9.104 0.994 667 HZ3 LYS 101 3HZ LYS 101 -14.831 -10.634 0.352 668 H TRP 102 H TRP 102 -8.716 -9.024 3.556 669 HA TRP 102 HA TRP 102 -7.159 -11.509 3.283 670 HB2 TRP 102 1HB TRP 102 -7.646 -9.311 1.270 671 HB3 TRP 102 2HB TRP 102 -6.450 -10.589 1.048 672 HD1 TRP 102 HD1 TRP 102 -8.501 -12.868 2.348 673 HE1 TRP 102 HE1 TRP 102 -10.328 -13.794 0.796 674 HE3 TRP 102 HE3 TRP 102 -8.577 -9.125 -1.125 675 HZ2 TRP 102 HZ2 TRP 102 -11.624 -13.040 -1.594 676 HZ3 TRP 102 HZ3 TRP 102 -10.138 -9.306 -3.018 677 HH2 TRP 102 HH2 TRP 102 -11.627 -11.220 -3.247 678 H ASN 103 H ASN 103 -6.831 -9.440 5.293 679 HA ASN 103 HA ASN 103 -5.137 -8.436 6.415 680 HB2 ASN 103 1HB ASN 103 -3.411 -10.015 4.494 681 HB3 ASN 103 2HB ASN 103 -2.819 -9.184 5.928 682 HD21 ASN 103 1HD2 ASN 103 -4.497 -11.934 4.701 683 HD22 ASN 103 2HD2 ASN 103 -4.617 -12.793 6.196 684 H VAL 104 H VAL 104 -6.309 -6.910 4.379 685 HA VAL 104 HA VAL 104 -4.078 -5.413 3.225 686 HB VAL 104 HB VAL 104 -7.044 -4.944 2.874 687 HG11 VAL 104 1HG1 VAL 104 -5.715 -2.954 2.460 688 HG12 VAL 104 2HG1 VAL 104 -6.359 -3.586 0.946 689 HG13 VAL 104 3HG1 VAL 104 -4.669 -3.857 1.366 690 HG21 VAL 104 1HG2 VAL 104 -5.106 -6.395 1.073 691 HG22 VAL 104 2HG2 VAL 104 -6.770 -5.991 0.666 692 HG23 VAL 104 3HG2 VAL 104 -6.432 -7.119 1.978 693 H ARG 105 H ARG 105 -3.203 -3.881 4.433 694 HA ARG 105 HA ARG 105 -4.916 -2.466 6.371 695 HB2 ARG 105 1HB ARG 105 -1.956 -3.062 6.445 696 HB3 ARG 105 2HB ARG 105 -2.716 -1.889 7.510 697 HG2 ARG 105 1HG ARG 105 -2.552 -3.849 8.770 698 HG3 ARG 105 2HG ARG 105 -4.239 -3.779 8.259 699 HD2 ARG 105 1HD ARG 105 -3.606 -5.288 6.350 700 HD3 ARG 105 2HD ARG 105 -2.036 -5.484 7.122 701 HE ARG 105 HE ARG 105 -4.556 -6.221 8.468 702 HH11 ARG 105 1HH1 ARG 105 -1.235 -6.919 7.595 703 HH12 ARG 105 2HH1 ARG 105 -1.243 -8.486 8.339 704 HH21 ARG 105 1HH2 ARG 105 -4.568 -8.290 9.425 705 HH22 ARG 105 2HH2 ARG 105 -3.137 -9.270 9.364 706 H VAL 106 H VAL 106 -4.821 -0.238 6.496 707 HA VAL 106 HA VAL 106 -3.443 1.080 4.254 708 HB VAL 106 HB VAL 106 -5.147 2.883 4.447 709 HG11 VAL 106 1HG1 VAL 106 -6.993 1.603 3.421 710 HG12 VAL 106 2HG1 VAL 106 -6.200 0.108 3.918 711 HG13 VAL 106 3HG1 VAL 106 -5.417 1.179 2.758 712 HG21 VAL 106 1HG2 VAL 106 -6.524 0.969 6.333 713 HG22 VAL 106 2HG2 VAL 106 -7.216 2.458 5.690 714 HG23 VAL 106 3HG2 VAL 106 -5.821 2.526 6.769 715 H ARG 107 H ARG 107 -2.059 2.699 4.670 716 HA ARG 107 HA ARG 107 -2.065 3.912 7.340 717 HB2 ARG 107 1HB ARG 107 0.385 2.791 5.961 718 HB3 ARG 107 2HB ARG 107 0.420 3.790 7.408 719 HG2 ARG 107 1HG ARG 107 -0.902 2.082 8.588 720 HG3 ARG 107 2HG ARG 107 -0.849 1.072 7.143 721 HD2 ARG 107 1HD ARG 107 1.625 1.073 7.293 722 HD3 ARG 107 2HD ARG 107 1.499 1.974 8.804 723 HE ARG 107 HE ARG 107 -0.073 -0.371 8.940 724 HH11 ARG 107 1HH1 ARG 107 3.256 0.694 9.023 725 HH12 ARG 107 2HH1 ARG 107 3.797 -0.667 9.958 726 HH21 ARG 107 1HH2 ARG 107 0.657 -2.180 10.154 727 HH22 ARG 107 2HH2 ARG 107 2.341 -2.282 10.589 728 H THR 108 H THR 108 -1.045 5.989 7.413 729 HA THR 108 HA THR 108 -1.097 7.301 4.780 730 HB THR 108 HB THR 108 -1.819 8.490 7.469 731 HG1 THR 108 HG1 THR 108 -3.434 7.610 5.283 732 HG21 THR 108 1HG2 THR 108 -0.951 10.149 5.877 733 HG22 THR 108 2HG2 THR 108 -2.679 10.373 6.156 734 HG23 THR 108 3HG2 THR 108 -2.119 9.601 4.672 735 H VAL 109 H VAL 109 0.658 8.356 4.148 736 HA VAL 109 HA VAL 109 2.725 8.959 6.161 737 HB VAL 109 HB VAL 109 4.444 8.551 4.452 738 HG11 VAL 109 1HG1 VAL 109 2.575 6.225 4.868 739 HG12 VAL 109 2HG1 VAL 109 3.853 6.749 5.962 740 HG13 VAL 109 3HG1 VAL 109 4.262 6.106 4.371 741 HG21 VAL 109 1HG2 VAL 109 3.867 7.414 2.354 742 HG22 VAL 109 2HG2 VAL 109 3.148 9.022 2.447 743 HG23 VAL 109 3HG2 VAL 109 2.154 7.594 2.736 744 H THR 110 H THR 110 3.815 10.903 5.950 745 HA THR 110 HA THR 110 2.608 12.779 4.022 746 HB THR 110 HB THR 110 3.477 14.539 5.692 747 HG1 THR 110 HG1 THR 110 4.439 12.390 6.872 748 HG21 THR 110 1HG2 THR 110 1.246 12.676 6.519 749 HG22 THR 110 2HG2 THR 110 1.102 14.018 5.384 750 HG23 THR 110 3HG2 THR 110 1.467 14.334 7.081 751 H SER 111 H SER 111 5.431 11.179 4.932 752 HA SER 111 HA SER 111 6.947 12.577 2.890 753 HB2 SER 111 1HB SER 111 7.948 12.294 5.741 754 HB3 SER 111 2HB SER 111 8.881 12.927 4.386 755 HG SER 111 HG SER 111 6.523 14.207 4.563 756 HA PRO 112 HA PRO 112 8.470 8.577 1.868 757 HB2 PRO 112 1HB PRO 112 11.200 9.018 1.683 758 HB3 PRO 112 2HB PRO 112 10.026 9.339 0.405 759 HG2 PRO 112 1HG PRO 112 11.237 11.218 2.384 760 HG3 PRO 112 2HG PRO 112 10.882 11.475 0.666 761 HD2 PRO 112 1HD PRO 112 9.304 12.491 2.562 762 HD3 PRO 112 2HD PRO 112 8.619 11.832 1.062 763 H ASP 113 H ASP 113 9.877 10.180 4.622 764 HA ASP 113 HA ASP 113 11.478 8.083 5.587 765 HB2 ASP 113 1HB ASP 113 11.743 10.324 6.449 766 HB3 ASP 113 2HB ASP 113 10.100 10.317 7.079 767 H GLU 114 H GLU 114 8.132 8.994 6.511 768 HA GLU 114 HA GLU 114 7.723 6.854 8.278 769 HB2 GLU 114 1HB GLU 114 5.597 8.116 6.542 770 HB3 GLU 114 2HB GLU 114 5.347 7.240 8.042 771 HG2 GLU 114 1HG GLU 114 5.177 9.352 8.824 772 HG3 GLU 114 2HG GLU 114 6.921 9.141 8.987 773 H ALA 115 H ALA 115 7.076 7.138 4.812 774 HA ALA 115 HA ALA 115 5.852 4.667 4.398 775 HB1 ALA 115 1HB ALA 115 6.476 4.924 2.056 776 HB2 ALA 115 2HB ALA 115 7.633 6.181 2.490 777 HB3 ALA 115 3HB ALA 115 5.907 6.454 2.720 778 H LYS 116 H LYS 116 9.271 5.562 4.246 779 HA LYS 116 HA LYS 116 10.301 3.085 3.472 780 HB2 LYS 116 1HB LYS 116 11.526 5.254 3.480 781 HB3 LYS 116 2HB LYS 116 11.618 5.159 5.231 782 HG2 LYS 116 1HG LYS 116 13.000 3.203 5.110 783 HG3 LYS 116 2HG LYS 116 12.802 3.126 3.356 784 HD2 LYS 116 1HD LYS 116 13.918 5.299 3.143 785 HD3 LYS 116 2HD LYS 116 14.122 5.362 4.893 786 HE2 LYS 116 1HE LYS 116 15.264 3.218 3.109 787 HE3 LYS 116 2HE LYS 116 16.156 4.631 3.673 788 HZ1 LYS 116 1HZ LYS 116 15.719 3.878 5.962 789 HZ2 LYS 116 2HZ LYS 116 16.649 2.783 5.076 790 HZ3 LYS 116 3HZ LYS 116 15.013 2.469 5.349 791 H ARG 117 H ARG 117 9.520 4.369 6.670 792 HA ARG 117 HA ARG 117 10.609 2.172 8.115 793 HB2 ARG 117 1HB ARG 117 10.313 4.204 9.316 794 HB3 ARG 117 2HB ARG 117 8.619 4.309 8.860 795 HG2 ARG 117 1HG ARG 117 8.053 2.462 10.272 796 HG3 ARG 117 2HG ARG 117 9.753 2.140 10.612 797 HD2 ARG 117 1HD ARG 117 8.468 4.768 11.290 798 HD3 ARG 117 2HD ARG 117 8.389 3.387 12.384 799 HE ARG 117 HE ARG 117 11.064 3.880 11.584 800 HH11 ARG 117 1HH1 ARG 117 8.540 5.183 13.622 801 HH12 ARG 117 2HH1 ARG 117 9.638 5.804 14.812 802 HH21 ARG 117 1HH2 ARG 117 12.526 4.677 13.155 803 HH22 ARG 117 2HH2 ARG 117 11.912 5.507 14.552 804 H TRP 118 H TRP 118 7.322 2.977 7.017 805 HA TRP 118 HA TRP 118 6.077 0.763 8.236 806 HB2 TRP 118 1HB TRP 118 5.191 2.269 5.772 807 HB3 TRP 118 2HB TRP 118 4.192 1.171 6.710 808 HD1 TRP 118 HD1 TRP 118 3.820 4.421 6.151 809 HE1 TRP 118 HE1 TRP 118 3.325 5.910 8.186 810 HE3 TRP 118 HE3 TRP 118 5.508 1.326 9.881 811 HZ2 TRP 118 HZ2 TRP 118 3.607 5.797 10.984 812 HZ3 TRP 118 HZ3 TRP 118 5.351 2.104 12.204 813 HH2 TRP 118 HH2 TRP 118 4.420 4.292 12.743 814 H ILE 119 H ILE 119 7.517 1.171 5.029 815 HA ILE 119 HA ILE 119 6.742 -1.350 4.015 816 HB ILE 119 HB ILE 119 9.128 0.365 3.291 817 HG12 ILE 119 1HG1 ILE 119 6.445 -0.008 1.940 818 HG13 ILE 119 2HG1 ILE 119 6.914 1.392 2.897 819 HG21 ILE 119 1HG2 ILE 119 9.248 -0.960 1.227 820 HG22 ILE 119 2HG2 ILE 119 7.980 -2.022 1.840 821 HG23 ILE 119 3HG2 ILE 119 9.543 -1.952 2.656 822 HD11 ILE 119 1HD1 ILE 119 7.071 1.853 0.521 823 HD12 ILE 119 2HD1 ILE 119 8.191 0.504 0.321 824 HD13 ILE 119 3HD1 ILE 119 8.664 1.909 1.276 825 H LYS 120 H LYS 120 9.569 -0.287 5.857 826 HA LYS 120 HA LYS 120 10.994 -2.721 5.705 827 HB2 LYS 120 1HB LYS 120 12.020 -0.568 6.363 828 HB3 LYS 120 2HB LYS 120 11.104 -0.605 7.863 829 HG2 LYS 120 1HG LYS 120 13.389 -1.323 8.235 830 HG3 LYS 120 2HG LYS 120 12.267 -2.653 8.525 831 HD2 LYS 120 1HD LYS 120 12.748 -3.509 6.257 832 HD3 LYS 120 2HD LYS 120 13.925 -2.212 6.042 833 HE2 LYS 120 1HE LYS 120 14.030 -4.355 8.162 834 HE3 LYS 120 2HE LYS 120 14.988 -4.328 6.682 835 HZ1 LYS 120 1HZ LYS 120 16.251 -3.508 8.557 836 HZ2 LYS 120 2HZ LYS 120 15.100 -2.312 8.858 837 HZ3 LYS 120 3HZ LYS 120 16.011 -2.268 7.435 838 H GLU 121 H GLU 121 8.685 -1.454 8.073 839 HA GLU 121 HA GLU 121 8.791 -3.654 9.849 840 HB2 GLU 121 1HB GLU 121 7.784 -1.485 10.451 841 HB3 GLU 121 2HB GLU 121 6.502 -1.756 9.280 842 HG2 GLU 121 1HG GLU 121 5.939 -3.848 10.596 843 HG3 GLU 121 2HG GLU 121 7.012 -3.222 11.846 844 H PHE 122 H PHE 122 6.868 -2.922 7.017 845 HA PHE 122 HA PHE 122 5.039 -5.043 7.182 846 HB2 PHE 122 1HB PHE 122 4.692 -3.053 5.797 847 HB3 PHE 122 2HB PHE 122 6.037 -3.525 4.767 848 HD1 PHE 122 HD1 PHE 122 2.800 -4.879 6.029 849 HD2 PHE 122 HD2 PHE 122 5.575 -4.621 2.813 850 HE1 PHE 122 HE1 PHE 122 1.246 -6.130 4.591 851 HE2 PHE 122 HE2 PHE 122 4.026 -5.872 1.371 852 HZ PHE 122 HZ PHE 122 1.860 -6.627 2.260 853 H SER 123 H SER 123 8.097 -4.730 5.399 854 HA SER 123 HA SER 123 7.958 -7.237 4.120 855 HB2 SER 123 1HB SER 123 10.422 -6.880 3.757 856 HB3 SER 123 2HB SER 123 9.410 -5.527 3.255 857 HG SER 123 HG SER 123 11.434 -5.233 4.691 858 H GLU 124 H GLU 124 9.114 -6.253 7.270 859 HA GLU 124 HA GLU 124 9.866 -7.399 9.077 860 HB2 GLU 124 1HB GLU 124 7.707 -8.617 8.640 861 HB3 GLU 124 2HB GLU 124 8.625 -9.816 7.752 862 HG2 GLU 124 1HG GLU 124 9.329 -9.199 10.585 863 HG3 GLU 124 2HG GLU 124 7.958 -10.243 10.220 864 H GLU 125 H GLU 125 12.001 -7.026 8.535 865 HA GLU 125 HA GLU 125 13.437 -9.294 7.333 866 HB2 GLU 125 1HB GLU 125 14.060 -6.355 6.998 867 HB3 GLU 125 2HB GLU 125 14.992 -7.683 6.329 868 HG2 GLU 125 1HG GLU 125 13.091 -8.333 4.949 869 HG3 GLU 125 2HG GLU 125 12.143 -7.012 5.631 Start of MODEL 13 1 HA MET 21 HA MET 21 2.436 -16.029 0.500 2 HB2 MET 21 1HB MET 21 4.376 -17.188 1.533 3 HB3 MET 21 2HB MET 21 5.459 -16.228 0.535 4 HG2 MET 21 1HG MET 21 4.632 -14.190 1.623 5 HG3 MET 21 2HG MET 21 3.587 -15.174 2.645 6 HE1 MET 21 1HE MET 21 6.315 -13.980 5.176 7 HE2 MET 21 2HE MET 21 4.586 -14.139 4.871 8 HE3 MET 21 3HE MET 21 5.563 -13.071 3.866 9 H ARG 22 H ARG 22 1.652 -14.325 -0.587 10 HA ARG 22 HA ARG 22 3.457 -12.821 -2.348 11 HB2 ARG 22 1HB ARG 22 0.442 -12.793 -2.132 12 HB3 ARG 22 2HB ARG 22 1.375 -11.812 -3.250 13 HG2 ARG 22 1HG ARG 22 1.368 -14.821 -3.215 14 HG3 ARG 22 2HG ARG 22 0.384 -13.822 -4.285 15 HD2 ARG 22 1HD ARG 22 2.416 -12.843 -5.231 16 HD3 ARG 22 2HD ARG 22 3.399 -13.839 -4.160 17 HE ARG 22 HE ARG 22 2.163 -15.758 -5.376 18 HH11 ARG 22 1HH1 ARG 22 3.247 -12.755 -6.817 19 HH12 ARG 22 2HH1 ARG 22 3.431 -13.432 -8.402 20 HH21 ARG 22 1HH2 ARG 22 2.415 -16.660 -7.463 21 HH22 ARG 22 2HH2 ARG 22 2.939 -15.649 -8.772 22 H LEU 23 H LEU 23 4.445 -11.183 -1.385 23 HA LEU 23 HA LEU 23 2.932 -9.524 0.512 24 HB2 LEU 23 1HB LEU 23 5.910 -9.625 0.005 25 HB3 LEU 23 2HB LEU 23 5.111 -8.616 1.195 26 HG LEU 23 HG LEU 23 5.247 -11.632 1.219 27 HD11 LEU 23 1HD1 LEU 23 7.345 -10.556 1.826 28 HD12 LEU 23 2HD1 LEU 23 6.592 -11.308 3.231 29 HD13 LEU 23 3HD1 LEU 23 6.503 -9.560 3.012 30 HD21 LEU 23 1HD2 LEU 23 4.168 -11.442 3.428 31 HD22 LEU 23 2HD2 LEU 23 3.122 -10.906 2.115 32 HD23 LEU 23 3HD2 LEU 23 3.927 -9.719 3.141 33 H VAL 24 H VAL 24 1.916 -7.952 -0.528 34 HA VAL 24 HA VAL 24 3.208 -6.753 -2.894 35 HB VAL 24 HB VAL 24 0.239 -7.039 -2.383 36 HG11 VAL 24 1HG1 VAL 24 0.813 -5.179 -3.858 37 HG12 VAL 24 2HG1 VAL 24 0.005 -6.467 -4.751 38 HG13 VAL 24 3HG1 VAL 24 1.753 -6.266 -4.879 39 HG21 VAL 24 1HG2 VAL 24 0.266 -8.826 -4.049 40 HG22 VAL 24 2HG2 VAL 24 1.271 -9.234 -2.659 41 HG23 VAL 24 3HG2 VAL 24 2.021 -8.701 -4.164 42 H VAL 25 H VAL 25 2.989 -4.509 -3.212 43 HA VAL 25 HA VAL 25 1.704 -2.980 -1.049 44 HB VAL 25 HB VAL 25 4.390 -2.281 -2.262 45 HG11 VAL 25 1HG1 VAL 25 4.461 -0.558 -0.522 46 HG12 VAL 25 2HG1 VAL 25 2.838 -1.019 -0.009 47 HG13 VAL 25 3HG1 VAL 25 3.094 -0.337 -1.615 48 HG21 VAL 25 1HG2 VAL 25 3.772 -3.362 0.490 49 HG22 VAL 25 2HG2 VAL 25 5.350 -2.802 -0.067 50 HG23 VAL 25 3HG2 VAL 25 4.609 -4.224 -0.801 51 H LEU 26 H LEU 26 0.112 -1.814 -2.028 52 HA LEU 26 HA LEU 26 0.761 -0.584 -4.624 53 HB2 LEU 26 1HB LEU 26 -1.934 -1.046 -3.338 54 HB3 LEU 26 2HB LEU 26 -1.702 -0.048 -4.763 55 HG LEU 26 HG LEU 26 -0.592 -2.239 -5.720 56 HD11 LEU 26 1HD1 LEU 26 -0.713 -3.580 -3.732 57 HD12 LEU 26 2HD1 LEU 26 -1.813 -4.241 -4.943 58 HD13 LEU 26 3HD1 LEU 26 -2.447 -3.295 -3.600 59 HD21 LEU 26 1HD2 LEU 26 -3.559 -1.821 -5.459 60 HD22 LEU 26 2HD2 LEU 26 -2.771 -2.853 -6.651 61 HD23 LEU 26 3HD2 LEU 26 -2.502 -1.110 -6.678 62 H ILE 27 H ILE 27 1.255 1.477 -4.632 63 HA ILE 27 HA ILE 27 0.734 2.978 -2.153 64 HB ILE 27 HB ILE 27 3.073 2.467 -2.357 65 HG12 ILE 27 1HG1 ILE 27 2.663 5.361 -3.134 66 HG13 ILE 27 2HG1 ILE 27 2.453 4.723 -1.511 67 HG21 ILE 27 1HG2 ILE 27 2.955 3.744 -5.081 68 HG22 ILE 27 2HG2 ILE 27 3.214 2.037 -4.725 69 HG23 ILE 27 3HG2 ILE 27 4.427 3.229 -4.259 70 HD11 ILE 27 1HD1 ILE 27 4.817 4.066 -1.481 71 HD12 ILE 27 2HD1 ILE 27 4.595 5.799 -1.711 72 HD13 ILE 27 3HD1 ILE 27 5.012 4.776 -3.085 73 H VAL 28 H VAL 28 -0.578 4.646 -2.348 74 HA VAL 28 HA VAL 28 -1.059 5.900 -4.937 75 HB VAL 28 HB VAL 28 -2.208 6.612 -2.222 76 HG11 VAL 28 1HG1 VAL 28 -2.344 8.427 -3.843 77 HG12 VAL 28 2HG1 VAL 28 -3.943 7.771 -3.492 78 HG13 VAL 28 3HG1 VAL 28 -3.128 7.348 -4.998 79 HG21 VAL 28 1HG2 VAL 28 -4.208 5.383 -2.910 80 HG22 VAL 28 2HG2 VAL 28 -2.800 4.326 -2.820 81 HG23 VAL 28 3HG2 VAL 28 -3.390 4.876 -4.388 82 H SER 29 H SER 29 0.566 7.221 -5.526 83 HA SER 29 HA SER 29 2.159 8.403 -3.376 84 HB2 SER 29 1HB SER 29 3.049 7.934 -6.208 85 HB3 SER 29 2HB SER 29 4.041 8.144 -4.764 86 HG SER 29 HG SER 29 2.235 6.025 -4.777 87 H ASN 30 H ASN 30 2.620 10.473 -3.274 88 HA ASN 30 HA ASN 30 1.696 12.396 -5.194 89 HB2 ASN 30 1HB ASN 30 2.784 14.041 -3.766 90 HB3 ASN 30 2HB ASN 30 1.875 12.915 -2.767 91 HD21 ASN 30 1HD2 ASN 30 4.975 14.175 -3.546 92 HD22 ASN 30 2HD2 ASN 30 5.868 13.311 -2.347 93 H ASP 31 H ASP 31 3.756 14.123 -5.542 94 HA ASP 31 HA ASP 31 5.163 13.721 -7.675 95 HB2 ASP 31 1HB ASP 31 5.543 15.676 -6.318 96 HB3 ASP 31 2HB ASP 31 6.412 14.725 -5.118 97 H LYS 32 H LYS 32 6.822 12.648 -8.572 98 HA LYS 32 HA LYS 32 6.995 9.973 -7.831 99 HB2 LYS 32 1HB LYS 32 8.716 11.489 -9.787 100 HB3 LYS 32 2HB LYS 32 8.539 9.740 -9.715 101 HG2 LYS 32 1HG LYS 32 6.190 9.924 -10.269 102 HG3 LYS 32 2HG LYS 32 6.307 11.682 -10.264 103 HD2 LYS 32 1HD LYS 32 6.369 10.934 -12.536 104 HD3 LYS 32 2HD LYS 32 7.980 11.508 -12.104 105 HE2 LYS 32 1HE LYS 32 8.746 9.239 -11.795 106 HE3 LYS 32 2HE LYS 32 7.121 8.620 -12.076 107 HZ1 LYS 32 1HZ LYS 32 8.879 9.973 -14.043 108 HZ2 LYS 32 2HZ LYS 32 7.256 9.604 -14.331 109 HZ3 LYS 32 3HZ LYS 32 8.369 8.360 -14.063 110 H LYS 33 H LYS 33 9.018 12.555 -6.763 111 HA LYS 33 HA LYS 33 11.440 11.174 -6.403 112 HB2 LYS 33 1HB LYS 33 11.276 13.599 -6.195 113 HB3 LYS 33 2HB LYS 33 10.248 13.433 -4.783 114 HG2 LYS 33 1HG LYS 33 12.897 12.140 -4.635 115 HG3 LYS 33 2HG LYS 33 12.875 13.902 -4.649 116 HD2 LYS 33 1HD LYS 33 11.372 13.920 -2.736 117 HD3 LYS 33 2HD LYS 33 11.309 12.156 -2.748 118 HE2 LYS 33 1HE LYS 33 13.840 13.751 -2.374 119 HE3 LYS 33 2HE LYS 33 12.857 13.139 -1.044 120 HZ1 LYS 33 1HZ LYS 33 13.274 10.916 -1.712 121 HZ2 LYS 33 2HZ LYS 33 14.772 11.709 -1.668 122 HZ3 LYS 33 3HZ LYS 33 14.022 11.406 -3.151 123 H LEU 34 H LEU 34 8.538 11.313 -4.412 124 HA LEU 34 HA LEU 34 9.614 9.825 -2.243 125 HB2 LEU 34 1HB LEU 34 7.675 11.070 -1.767 126 HB3 LEU 34 2HB LEU 34 6.822 10.443 -3.164 127 HG LEU 34 HG LEU 34 7.585 8.433 -1.131 128 HD11 LEU 34 1HD1 LEU 34 6.919 10.312 0.287 129 HD12 LEU 34 2HD1 LEU 34 5.744 8.999 0.343 130 HD13 LEU 34 3HD1 LEU 34 5.405 10.445 -0.608 131 HD21 LEU 34 1HD2 LEU 34 6.285 7.846 -3.107 132 HD22 LEU 34 2HD2 LEU 34 5.051 9.023 -2.658 133 HD23 LEU 34 3HD2 LEU 34 5.336 7.613 -1.640 134 H ILE 35 H ILE 35 7.842 8.982 -5.164 135 HA ILE 35 HA ILE 35 7.332 6.290 -4.660 136 HB ILE 35 HB ILE 35 8.027 7.461 -7.362 137 HG12 ILE 35 1HG1 ILE 35 5.352 7.349 -5.959 138 HG13 ILE 35 2HG1 ILE 35 6.296 8.807 -6.238 139 HG21 ILE 35 1HG2 ILE 35 6.333 5.093 -6.574 140 HG22 ILE 35 2HG2 ILE 35 7.930 5.030 -7.317 141 HG23 ILE 35 3HG2 ILE 35 6.565 5.689 -8.218 142 HD11 ILE 35 1HD1 ILE 35 6.070 8.417 -8.674 143 HD12 ILE 35 2HD1 ILE 35 4.536 8.692 -7.850 144 HD13 ILE 35 3HD1 ILE 35 5.008 7.057 -8.316 145 H GLU 36 H GLU 36 10.145 7.868 -6.108 146 HA GLU 36 HA GLU 36 11.535 5.630 -6.966 147 HB2 GLU 36 1HB GLU 36 12.656 8.216 -5.883 148 HB3 GLU 36 2HB GLU 36 13.564 7.030 -6.808 149 HG2 GLU 36 1HG GLU 36 11.945 7.384 -8.682 150 HG3 GLU 36 2HG GLU 36 11.267 8.720 -7.752 151 H GLU 37 H GLU 37 12.176 7.426 -3.939 152 HA GLU 37 HA GLU 37 13.993 5.465 -3.021 153 HB2 GLU 37 1HB GLU 37 13.973 6.668 -0.896 154 HB3 GLU 37 2HB GLU 37 14.127 7.766 -2.258 155 HG2 GLU 37 1HG GLU 37 11.762 8.334 -2.070 156 HG3 GLU 37 2HG GLU 37 11.608 7.229 -0.703 157 H ALA 38 H ALA 38 10.521 5.865 -2.521 158 HA ALA 38 HA ALA 38 10.288 3.934 -0.458 159 HB1 ALA 38 1HB ALA 38 8.520 5.559 -0.966 160 HB2 ALA 38 2HB ALA 38 7.918 3.901 -0.978 161 HB3 ALA 38 3HB ALA 38 8.220 4.740 -2.500 162 H ARG 39 H ARG 39 9.919 3.701 -3.986 163 HA ARG 39 HA ARG 39 9.193 0.964 -3.977 164 HB2 ARG 39 1HB ARG 39 8.694 2.555 -5.824 165 HB3 ARG 39 2HB ARG 39 10.400 2.558 -6.240 166 HG2 ARG 39 1HG ARG 39 10.330 0.247 -6.838 167 HG3 ARG 39 2HG ARG 39 8.682 0.091 -6.230 168 HD2 ARG 39 1HD ARG 39 7.936 1.717 -7.931 169 HD3 ARG 39 2HD ARG 39 9.581 1.774 -8.563 170 HE ARG 39 HE ARG 39 9.026 -0.849 -8.682 171 HH11 ARG 39 1HH1 ARG 39 7.247 1.967 -9.767 172 HH12 ARG 39 2HH1 ARG 39 6.463 1.126 -11.068 173 HH21 ARG 39 1HH2 ARG 39 8.009 -1.953 -10.406 174 HH22 ARG 39 2HH2 ARG 39 6.901 -1.100 -11.432 175 H LYS 40 H LYS 40 12.285 2.636 -4.263 176 HA LYS 40 HA LYS 40 13.889 0.440 -4.930 177 HB2 LYS 40 1HB LYS 40 14.521 2.883 -3.271 178 HB3 LYS 40 2HB LYS 40 15.732 1.720 -3.791 179 HG2 LYS 40 1HG LYS 40 15.257 2.221 -6.115 180 HG3 LYS 40 2HG LYS 40 13.979 3.338 -5.628 181 HD2 LYS 40 1HD LYS 40 15.665 4.695 -4.439 182 HD3 LYS 40 2HD LYS 40 16.923 3.604 -5.025 183 HE2 LYS 40 1HE LYS 40 16.352 4.172 -7.327 184 HE3 LYS 40 2HE LYS 40 15.070 5.237 -6.753 185 HZ1 LYS 40 1HZ LYS 40 16.736 6.597 -5.662 186 HZ2 LYS 40 2HZ LYS 40 17.057 6.477 -7.315 187 HZ3 LYS 40 3HZ LYS 40 17.968 5.575 -6.211 188 H MET 41 H MET 41 12.655 1.539 -1.825 189 HA MET 41 HA MET 41 14.185 -0.325 -0.296 190 HB2 MET 41 1HB MET 41 11.772 1.343 0.412 191 HB3 MET 41 2HB MET 41 12.618 0.317 1.563 192 HG2 MET 41 1HG MET 41 13.754 2.676 0.081 193 HG3 MET 41 2HG MET 41 13.353 2.596 1.796 194 HE1 MET 41 1HE MET 41 17.262 2.761 1.856 195 HE2 MET 41 2HE MET 41 15.761 3.480 2.442 196 HE3 MET 41 3HE MET 41 16.184 3.588 0.734 197 H ALA 42 H ALA 42 10.951 -0.290 -1.683 198 HA ALA 42 HA ALA 42 10.067 -2.709 -0.496 199 HB1 ALA 42 1HB ALA 42 9.210 -1.453 -3.101 200 HB2 ALA 42 2HB ALA 42 8.524 -1.104 -1.514 201 HB3 ALA 42 3HB ALA 42 8.342 -2.711 -2.219 202 H GLU 43 H GLU 43 11.737 -1.930 -3.487 203 HA GLU 43 HA GLU 43 11.902 -4.533 -4.549 204 HB2 GLU 43 1HB GLU 43 12.374 -2.455 -5.807 205 HB3 GLU 43 2HB GLU 43 13.817 -2.209 -4.838 206 HG2 GLU 43 1HG GLU 43 14.730 -4.320 -5.730 207 HG3 GLU 43 2HG GLU 43 13.308 -4.459 -6.767 208 H LYS 44 H LYS 44 13.885 -2.732 -2.273 209 HA LYS 44 HA LYS 44 15.979 -4.651 -2.062 210 HB2 LYS 44 1HB LYS 44 16.015 -2.160 -1.430 211 HB3 LYS 44 2HB LYS 44 15.205 -2.644 0.050 212 HG2 LYS 44 1HG LYS 44 17.497 -2.479 0.563 213 HG3 LYS 44 2HG LYS 44 17.132 -4.201 0.474 214 HD2 LYS 44 1HD LYS 44 19.236 -3.732 -0.645 215 HD3 LYS 44 2HD LYS 44 18.027 -4.251 -1.821 216 HE2 LYS 44 1HE LYS 44 17.635 -1.946 -2.473 217 HE3 LYS 44 2HE LYS 44 18.765 -1.384 -1.246 218 HZ1 LYS 44 1HZ LYS 44 20.538 -2.551 -2.419 219 HZ2 LYS 44 2HZ LYS 44 19.789 -1.410 -3.416 220 HZ3 LYS 44 3HZ LYS 44 19.441 -3.052 -3.604 221 H ALA 45 H ALA 45 12.840 -4.346 -0.700 222 HA ALA 45 HA ALA 45 13.402 -6.231 1.456 223 HB1 ALA 45 1HB ALA 45 11.122 -5.726 2.205 224 HB2 ALA 45 2HB ALA 45 10.889 -4.704 0.788 225 HB3 ALA 45 3HB ALA 45 12.085 -4.264 2.004 226 H ASN 46 H ASN 46 12.952 -6.610 -1.656 227 HA ASN 46 HA ASN 46 12.238 -8.269 -3.027 228 HB2 ASN 46 1HB ASN 46 13.468 -9.633 -1.296 229 HB3 ASN 46 2HB ASN 46 11.917 -9.932 -0.520 230 HD21 ASN 46 1HD2 ASN 46 12.090 -12.146 -0.846 231 HD22 ASN 46 2HD2 ASN 46 11.892 -12.869 -2.403 232 H LEU 47 H LEU 47 10.327 -6.408 -2.206 233 HA LEU 47 HA LEU 47 7.867 -7.981 -1.884 234 HB2 LEU 47 1HB LEU 47 8.262 -4.990 -1.751 235 HB3 LEU 47 2HB LEU 47 6.782 -5.852 -1.389 236 HG LEU 47 HG LEU 47 9.347 -6.023 0.192 237 HD11 LEU 47 1HD1 LEU 47 8.113 -4.818 1.906 238 HD12 LEU 47 2HD1 LEU 47 6.706 -4.726 0.847 239 HD13 LEU 47 3HD1 LEU 47 8.191 -3.877 0.417 240 HD21 LEU 47 1HD2 LEU 47 6.643 -7.262 0.688 241 HD22 LEU 47 2HD2 LEU 47 8.006 -7.290 1.806 242 HD23 LEU 47 3HD2 LEU 47 8.120 -8.123 0.257 243 H GLU 48 H GLU 48 5.982 -7.211 -3.177 244 HA GLU 48 HA GLU 48 6.809 -6.382 -5.876 245 HB2 GLU 48 1HB GLU 48 5.677 -8.576 -5.746 246 HB3 GLU 48 2HB GLU 48 4.288 -7.807 -4.989 247 HG2 GLU 48 1HG GLU 48 3.877 -8.222 -7.340 248 HG3 GLU 48 2HG GLU 48 3.907 -6.492 -7.001 249 H LEU 49 H LEU 49 6.668 -4.201 -5.905 250 HA LEU 49 HA LEU 49 4.352 -2.979 -4.585 251 HB2 LEU 49 1HB LEU 49 6.599 -2.282 -3.800 252 HB3 LEU 49 2HB LEU 49 6.943 -1.669 -5.406 253 HG LEU 49 HG LEU 49 4.504 -0.602 -4.105 254 HD11 LEU 49 1HD1 LEU 49 7.273 0.168 -3.200 255 HD12 LEU 49 2HD1 LEU 49 6.050 -0.647 -2.227 256 HD13 LEU 49 3HD1 LEU 49 5.779 1.005 -2.781 257 HD21 LEU 49 1HD2 LEU 49 5.240 0.141 -6.314 258 HD22 LEU 49 2HD2 LEU 49 6.778 0.662 -5.626 259 HD23 LEU 49 3HD2 LEU 49 5.281 1.457 -5.143 260 H ILE 50 H ILE 50 2.862 -2.005 -5.694 261 HA ILE 50 HA ILE 50 3.296 -1.526 -8.567 262 HB ILE 50 HB ILE 50 0.815 -2.429 -7.106 263 HG12 ILE 50 1HG1 ILE 50 2.395 -3.684 -9.359 264 HG13 ILE 50 2HG1 ILE 50 2.469 -4.173 -7.670 265 HG21 ILE 50 1HG2 ILE 50 1.090 -1.565 -9.977 266 HG22 ILE 50 2HG2 ILE 50 0.157 -0.759 -8.716 267 HG23 ILE 50 3HG2 ILE 50 -0.326 -2.357 -9.286 268 HD11 ILE 50 1HD1 ILE 50 0.123 -4.823 -7.756 269 HD12 ILE 50 2HD1 ILE 50 1.077 -5.675 -8.972 270 HD13 ILE 50 3HD1 ILE 50 0.045 -4.324 -9.445 271 H THR 51 H THR 51 2.932 0.485 -9.287 272 HA THR 51 HA THR 51 2.043 2.464 -7.316 273 HB THR 51 HB THR 51 3.087 4.099 -8.957 274 HG1 THR 51 HG1 THR 51 3.066 2.319 -10.652 275 HG21 THR 51 1HG2 THR 51 4.240 3.396 -6.916 276 HG22 THR 51 2HG2 THR 51 5.380 3.606 -8.246 277 HG23 THR 51 3HG2 THR 51 4.881 1.986 -7.759 278 H VAL 52 H VAL 52 -0.194 2.499 -7.529 279 HA VAL 52 HA VAL 52 -1.133 3.627 -10.083 280 HB VAL 52 HB VAL 52 -2.598 1.538 -8.440 281 HG11 VAL 52 1HG1 VAL 52 -4.321 1.618 -10.161 282 HG12 VAL 52 2HG1 VAL 52 -3.471 2.941 -10.961 283 HG13 VAL 52 3HG1 VAL 52 -4.146 3.172 -9.347 284 HG21 VAL 52 1HG2 VAL 52 -1.500 1.370 -11.246 285 HG22 VAL 52 2HG2 VAL 52 -2.387 0.104 -10.395 286 HG23 VAL 52 3HG2 VAL 52 -0.797 0.607 -9.822 287 HA PRO 53 HA PRO 53 -2.892 6.277 -6.812 288 HB2 PRO 53 1HB PRO 53 -1.653 8.573 -7.414 289 HB3 PRO 53 2HB PRO 53 -0.898 7.350 -6.390 290 HG2 PRO 53 1HG PRO 53 -0.331 8.071 -9.205 291 HG3 PRO 53 2HG PRO 53 0.756 7.408 -7.974 292 HD2 PRO 53 1HD PRO 53 -0.569 5.995 -10.058 293 HD3 PRO 53 2HD PRO 53 0.393 5.307 -8.736 294 H GLY 54 H GLY 54 -4.948 6.116 -8.054 295 HA2 GLY 54 1HA GLY 54 -5.209 8.760 -9.358 296 HA3 GLY 54 2HA GLY 54 -6.202 7.389 -9.840 297 H SER 55 H SER 55 -7.109 6.287 -7.693 298 HA SER 55 HA SER 55 -8.084 8.379 -5.871 299 HB2 SER 55 1HB SER 55 -9.464 5.787 -6.614 300 HB3 SER 55 2HB SER 55 -10.083 7.009 -5.508 301 HG SER 55 HG SER 55 -9.391 7.724 -8.140 302 HA PRO 56 HA PRO 56 -6.323 5.857 -2.555 303 HB2 PRO 56 1HB PRO 56 -8.316 5.972 -0.673 304 HB3 PRO 56 2HB PRO 56 -7.131 7.257 -0.923 305 HG2 PRO 56 1HG PRO 56 -9.945 7.053 -1.912 306 HG3 PRO 56 2HG PRO 56 -9.083 8.461 -1.268 307 HD2 PRO 56 1HD PRO 56 -9.465 8.102 -3.916 308 HD3 PRO 56 2HD PRO 56 -7.999 8.869 -3.275 309 H GLU 57 H GLU 57 -9.804 5.437 -3.089 310 HA GLU 57 HA GLU 57 -10.068 2.785 -2.263 311 HB2 GLU 57 1HB GLU 57 -11.948 4.318 -2.665 312 HB3 GLU 57 2HB GLU 57 -11.609 4.290 -4.387 313 HG2 GLU 57 1HG GLU 57 -12.042 1.814 -4.316 314 HG3 GLU 57 2HG GLU 57 -12.633 2.049 -2.671 315 H GLU 58 H GLU 58 -9.061 4.149 -5.317 316 HA GLU 58 HA GLU 58 -9.468 1.991 -7.019 317 HB2 GLU 58 1HB GLU 58 -8.958 4.256 -7.771 318 HB3 GLU 58 2HB GLU 58 -7.335 4.126 -7.115 319 HG2 GLU 58 1HG GLU 58 -6.781 2.419 -8.725 320 HG3 GLU 58 2HG GLU 58 -8.438 2.426 -9.336 321 H ALA 59 H ALA 59 -6.395 2.935 -5.457 322 HA ALA 59 HA ALA 59 -4.938 0.682 -6.207 323 HB1 ALA 59 1HB ALA 59 -4.583 2.377 -3.740 324 HB2 ALA 59 2HB ALA 59 -3.912 2.721 -5.335 325 HB3 ALA 59 3HB ALA 59 -3.378 1.297 -4.440 326 H ILE 60 H ILE 60 -7.008 1.232 -3.391 327 HA ILE 60 HA ILE 60 -6.277 -1.143 -2.018 328 HB ILE 60 HB ILE 60 -8.884 0.367 -1.774 329 HG12 ILE 60 1HG1 ILE 60 -6.335 0.722 -0.181 330 HG13 ILE 60 2HG1 ILE 60 -6.852 1.798 -1.476 331 HG21 ILE 60 1HG2 ILE 60 -7.442 -1.493 0.118 332 HG22 ILE 60 2HG2 ILE 60 -8.942 -1.834 -0.745 333 HG23 ILE 60 3HG2 ILE 60 -8.905 -0.584 0.499 334 HD11 ILE 60 1HD1 ILE 60 -7.370 2.680 0.743 335 HD12 ILE 60 2HD1 ILE 60 -8.381 1.269 1.056 336 HD13 ILE 60 3HD1 ILE 60 -8.823 2.404 -0.217 337 H ARG 61 H ARG 61 -8.754 -0.386 -4.400 338 HA ARG 61 HA ARG 61 -10.197 -2.789 -4.260 339 HB2 ARG 61 1HB ARG 61 -9.764 -0.766 -6.429 340 HB3 ARG 61 2HB ARG 61 -10.661 -2.242 -6.753 341 HG2 ARG 61 1HG ARG 61 -12.242 -1.683 -4.989 342 HG3 ARG 61 2HG ARG 61 -11.334 -0.208 -4.641 343 HD2 ARG 61 1HD ARG 61 -13.271 0.279 -6.031 344 HD3 ARG 61 2HD ARG 61 -11.775 0.603 -6.901 345 HE ARG 61 HE ARG 61 -12.699 -2.026 -7.439 346 HH11 ARG 61 1HH1 ARG 61 -13.304 1.331 -8.201 347 HH12 ARG 61 2HH1 ARG 61 -14.038 0.988 -9.734 348 HH21 ARG 61 1HH2 ARG 61 -13.665 -2.485 -9.467 349 HH22 ARG 61 2HH2 ARG 61 -14.228 -1.181 -10.462 350 H LEU 62 H LEU 62 -7.455 -1.875 -6.335 351 HA LEU 62 HA LEU 62 -7.232 -4.423 -7.552 352 HB2 LEU 62 1HB LEU 62 -6.258 -2.349 -8.493 353 HB3 LEU 62 2HB LEU 62 -5.093 -2.323 -7.183 354 HG LEU 62 HG LEU 62 -4.140 -4.445 -7.985 355 HD11 LEU 62 1HD1 LEU 62 -4.809 -5.316 -10.183 356 HD12 LEU 62 2HD1 LEU 62 -6.139 -4.158 -10.221 357 HD13 LEU 62 3HD1 LEU 62 -6.109 -5.424 -8.996 358 HD21 LEU 62 1HD2 LEU 62 -4.342 -2.319 -10.112 359 HD22 LEU 62 2HD2 LEU 62 -3.108 -3.576 -10.020 360 HD23 LEU 62 3HD2 LEU 62 -3.200 -2.337 -8.768 361 H ALA 63 H ALA 63 -5.898 -2.997 -4.637 362 HA ALA 63 HA ALA 63 -4.075 -4.990 -3.919 363 HB1 ALA 63 1HB ALA 63 -4.328 -4.192 -1.642 364 HB2 ALA 63 2HB ALA 63 -5.833 -3.377 -2.066 365 HB3 ALA 63 3HB ALA 63 -4.307 -2.821 -2.753 366 H GLN 64 H GLN 64 -7.546 -4.706 -3.263 367 HA GLN 64 HA GLN 64 -7.839 -7.118 -1.846 368 HB2 GLN 64 1HB GLN 64 -9.566 -5.414 -1.791 369 HB3 GLN 64 2HB GLN 64 -9.834 -5.572 -3.522 370 HG2 GLN 64 1HG GLN 64 -10.639 -7.847 -3.199 371 HG3 GLN 64 2HG GLN 64 -10.343 -7.715 -1.468 372 HE21 GLN 64 1HE2 GLN 64 -12.806 -8.233 -2.950 373 HE22 GLN 64 2HE2 GLN 64 -13.923 -7.017 -2.440 374 H GLU 65 H GLU 65 -8.111 -6.355 -5.288 375 HA GLU 65 HA GLU 65 -8.905 -8.894 -6.196 376 HB2 GLU 65 1HB GLU 65 -7.290 -6.741 -7.574 377 HB3 GLU 65 2HB GLU 65 -7.966 -8.151 -8.383 378 HG2 GLU 65 1HG GLU 65 -10.204 -7.451 -7.815 379 HG3 GLU 65 2HG GLU 65 -9.571 -6.086 -6.900 380 H ILE 66 H ILE 66 -5.621 -7.511 -5.849 381 HA ILE 66 HA ILE 66 -4.281 -9.773 -6.835 382 HB ILE 66 HB ILE 66 -3.317 -7.732 -4.826 383 HG12 ILE 66 1HG1 ILE 66 -2.955 -7.931 -7.826 384 HG13 ILE 66 2HG1 ILE 66 -3.999 -6.784 -6.991 385 HG21 ILE 66 1HG2 ILE 66 -1.054 -8.435 -5.492 386 HG22 ILE 66 2HG2 ILE 66 -1.756 -9.729 -6.462 387 HG23 ILE 66 3HG2 ILE 66 -1.950 -9.737 -4.708 388 HD11 ILE 66 1HD1 ILE 66 -2.009 -5.818 -5.917 389 HD12 ILE 66 2HD1 ILE 66 -1.971 -5.699 -7.674 390 HD13 ILE 66 3HD1 ILE 66 -0.998 -6.918 -6.851 391 H ALA 67 H ALA 67 -5.480 -9.005 -3.616 392 HA ALA 67 HA ALA 67 -4.272 -11.266 -2.347 393 HB1 ALA 67 1HB ALA 67 -5.665 -10.691 -0.438 394 HB2 ALA 67 2HB ALA 67 -6.588 -9.568 -1.436 395 HB3 ALA 67 3HB ALA 67 -4.885 -9.254 -1.099 396 H GLU 68 H GLU 68 -7.461 -10.573 -3.696 397 HA GLU 68 HA GLU 68 -8.740 -12.975 -2.986 398 HB2 GLU 68 1HB GLU 68 -9.973 -11.031 -3.781 399 HB3 GLU 68 2HB GLU 68 -9.180 -11.129 -5.345 400 HG2 GLU 68 1HG GLU 68 -11.338 -11.994 -5.652 401 HG3 GLU 68 2HG GLU 68 -10.260 -13.384 -5.622 402 H LYS 69 H LYS 69 -6.631 -12.131 -5.671 403 HA LYS 69 HA LYS 69 -7.075 -14.707 -6.957 404 HB2 LYS 69 1HB LYS 69 -5.118 -12.569 -7.794 405 HB3 LYS 69 2HB LYS 69 -5.769 -13.874 -8.775 406 HG2 LYS 69 1HG LYS 69 -8.041 -12.785 -8.475 407 HG3 LYS 69 2HG LYS 69 -7.177 -11.412 -7.794 408 HD2 LYS 69 1HD LYS 69 -5.885 -11.177 -9.843 409 HD3 LYS 69 2HD LYS 69 -6.715 -12.569 -10.537 410 HE2 LYS 69 1HE LYS 69 -8.835 -11.385 -10.428 411 HE3 LYS 69 2HE LYS 69 -8.042 -10.004 -9.671 412 HZ1 LYS 69 1HZ LYS 69 -6.738 -9.690 -11.666 413 HZ2 LYS 69 2HZ LYS 69 -8.385 -9.663 -12.043 414 HZ3 LYS 69 3HZ LYS 69 -7.458 -11.033 -12.393 415 H ALA 70 H ALA 70 -5.288 -13.746 -4.414 416 HA ALA 70 HA ALA 70 -2.859 -15.200 -5.102 417 HB1 ALA 70 1HB ALA 70 -3.587 -13.768 -2.551 418 HB2 ALA 70 2HB ALA 70 -2.651 -13.084 -3.881 419 HB3 ALA 70 3HB ALA 70 -2.008 -14.440 -2.954 420 HA PRO 71 HA PRO 71 -4.579 -18.768 -3.015 421 HB2 PRO 71 1HB PRO 71 -2.782 -20.551 -3.914 422 HB3 PRO 71 2HB PRO 71 -4.065 -19.919 -4.949 423 HG2 PRO 71 1HG PRO 71 -1.173 -19.219 -4.871 424 HG3 PRO 71 2HG PRO 71 -2.271 -19.310 -6.258 425 HD2 PRO 71 1HD PRO 71 -1.495 -16.973 -4.940 426 HD3 PRO 71 2HD PRO 71 -2.883 -17.135 -6.031 427 H GLY 72 H GLY 72 -4.203 -18.479 -0.868 428 HA2 GLY 72 1HA GLY 72 -3.118 -19.575 0.970 429 HA3 GLY 72 2HA GLY 72 -1.607 -19.481 0.080 430 HA PRO 73 HA PRO 73 -1.244 -16.208 3.227 431 HB2 PRO 73 1HB PRO 73 1.607 -16.442 2.532 432 HB3 PRO 73 2HB PRO 73 0.818 -16.595 4.103 433 HG2 PRO 73 1HG PRO 73 1.824 -18.728 2.827 434 HG3 PRO 73 2HG PRO 73 0.341 -18.835 3.794 435 HD2 PRO 73 1HD PRO 73 0.653 -18.644 0.820 436 HD3 PRO 73 2HD PRO 73 -0.451 -19.657 1.774 437 H VAL 74 H VAL 74 -1.721 -14.222 2.602 438 HA VAL 74 HA VAL 74 0.047 -12.881 0.707 439 HB VAL 74 HB VAL 74 -1.845 -13.594 -0.660 440 HG11 VAL 74 1HG1 VAL 74 -3.542 -13.827 1.058 441 HG12 VAL 74 2HG1 VAL 74 -4.115 -12.770 -0.230 442 HG13 VAL 74 3HG1 VAL 74 -3.568 -12.081 1.297 443 HG21 VAL 74 1HG2 VAL 74 -2.487 -11.444 -1.575 444 HG22 VAL 74 2HG2 VAL 74 -0.787 -11.417 -1.113 445 HG23 VAL 74 3HG2 VAL 74 -1.992 -10.635 -0.090 446 H LYS 75 H LYS 75 0.421 -10.776 1.178 447 HA LYS 75 HA LYS 75 -1.248 -9.400 3.121 448 HB2 LYS 75 1HB LYS 75 0.339 -10.439 4.585 449 HB3 LYS 75 2HB LYS 75 1.682 -9.991 3.545 450 HG2 LYS 75 1HG LYS 75 1.747 -7.846 4.315 451 HG3 LYS 75 2HG LYS 75 0.023 -7.809 4.685 452 HD2 LYS 75 1HD LYS 75 1.503 -7.791 6.695 453 HD3 LYS 75 2HD LYS 75 0.348 -9.121 6.659 454 HE2 LYS 75 1HE LYS 75 2.422 -10.024 7.380 455 HE3 LYS 75 2HE LYS 75 2.179 -10.557 5.721 456 HZ1 LYS 75 1HZ LYS 75 4.446 -9.841 6.112 457 HZ2 LYS 75 2HZ LYS 75 3.911 -8.299 6.572 458 HZ3 LYS 75 3HZ LYS 75 3.691 -8.831 4.980 459 H VAL 76 H VAL 76 -1.763 -7.641 2.040 460 HA VAL 76 HA VAL 76 0.338 -6.288 0.498 461 HB VAL 76 HB VAL 76 -1.267 -7.144 -1.050 462 HG11 VAL 76 1HG1 VAL 76 -3.124 -7.546 0.439 463 HG12 VAL 76 2HG1 VAL 76 -3.655 -6.579 -0.938 464 HG13 VAL 76 3HG1 VAL 76 -3.381 -5.812 0.627 465 HG21 VAL 76 1HG2 VAL 76 -0.452 -4.912 -1.548 466 HG22 VAL 76 2HG2 VAL 76 -1.765 -4.204 -0.606 467 HG23 VAL 76 3HG2 VAL 76 -2.122 -5.092 -2.087 468 H LEU 77 H LEU 77 0.772 -4.252 0.939 469 HA LEU 77 HA LEU 77 -0.936 -2.838 2.877 470 HB2 LEU 77 1HB LEU 77 1.282 -3.245 3.738 471 HB3 LEU 77 2HB LEU 77 2.015 -2.606 2.281 472 HG LEU 77 HG LEU 77 1.100 -0.360 2.866 473 HD11 LEU 77 1HD1 LEU 77 0.327 0.039 5.147 474 HD12 LEU 77 2HD1 LEU 77 0.381 -1.695 5.470 475 HD13 LEU 77 3HD1 LEU 77 -0.753 -1.054 4.280 476 HD21 LEU 77 1HD2 LEU 77 3.400 -0.966 3.380 477 HD22 LEU 77 2HD2 LEU 77 2.886 -1.644 4.925 478 HD23 LEU 77 3HD2 LEU 77 2.732 0.087 4.626 479 H VAL 78 H VAL 78 -1.916 -1.029 2.252 480 HA VAL 78 HA VAL 78 -1.131 0.170 -0.323 481 HB VAL 78 HB VAL 78 -3.733 0.531 1.175 482 HG11 VAL 78 1HG1 VAL 78 -2.928 1.320 -1.622 483 HG12 VAL 78 2HG1 VAL 78 -3.176 2.414 -0.263 484 HG13 VAL 78 3HG1 VAL 78 -4.536 1.509 -0.924 485 HG21 VAL 78 1HG2 VAL 78 -3.127 -1.210 -1.212 486 HG22 VAL 78 2HG2 VAL 78 -4.729 -0.919 -0.533 487 HG23 VAL 78 3HG2 VAL 78 -3.510 -1.771 0.416 488 H LEU 79 H LEU 79 -0.310 2.169 -0.343 489 HA LEU 79 HA LEU 79 -0.218 3.607 2.224 490 HB2 LEU 79 1HB LEU 79 1.688 3.589 -0.106 491 HB3 LEU 79 2HB LEU 79 1.763 4.797 1.159 492 HG LEU 79 HG LEU 79 3.418 3.172 1.629 493 HD11 LEU 79 1HD1 LEU 79 2.168 3.971 3.570 494 HD12 LEU 79 2HD1 LEU 79 2.755 2.325 3.804 495 HD13 LEU 79 3HD1 LEU 79 1.059 2.609 3.415 496 HD21 LEU 79 1HD2 LEU 79 2.645 1.355 0.256 497 HD22 LEU 79 2HD2 LEU 79 1.270 1.088 1.327 498 HD23 LEU 79 3HD2 LEU 79 2.909 0.783 1.904 499 H ILE 80 H ILE 80 -1.254 5.463 2.381 500 HA ILE 80 HA ILE 80 -1.895 6.949 -0.081 501 HB ILE 80 HB ILE 80 -3.055 7.286 2.697 502 HG12 ILE 80 1HG1 ILE 80 -4.289 6.100 0.199 503 HG13 ILE 80 2HG1 ILE 80 -3.741 5.181 1.596 504 HG21 ILE 80 1HG2 ILE 80 -3.828 8.583 0.083 505 HG22 ILE 80 2HG2 ILE 80 -3.015 9.375 1.433 506 HG23 ILE 80 3HG2 ILE 80 -4.667 8.783 1.621 507 HD11 ILE 80 1HD1 ILE 80 -6.150 5.458 1.611 508 HD12 ILE 80 2HD1 ILE 80 -5.959 7.212 1.583 509 HD13 ILE 80 3HD1 ILE 80 -5.412 6.287 2.982 510 H THR 81 H THR 81 -0.402 8.451 -0.533 511 HA THR 81 HA THR 81 1.359 9.378 1.564 512 HB THR 81 HB THR 81 2.557 10.552 -0.280 513 HG1 THR 81 HG1 THR 81 0.705 9.180 -1.966 514 HG21 THR 81 1HG2 THR 81 3.224 8.311 0.375 515 HG22 THR 81 2HG2 THR 81 3.364 8.490 -1.373 516 HG23 THR 81 3HG2 THR 81 2.000 7.612 -0.684 517 H GLY 82 H GLY 82 1.272 11.239 2.581 518 HA2 GLY 82 1HA GLY 82 0.950 13.598 2.693 519 HA3 GLY 82 2HA GLY 82 -0.239 13.465 1.403 520 H SER 83 H SER 83 -1.811 14.582 2.557 521 HA SER 83 HA SER 83 -2.909 13.141 4.879 522 HB2 SER 83 1HB SER 83 -3.409 16.016 4.068 523 HB3 SER 83 2HB SER 83 -3.922 15.233 5.563 524 HG SER 83 HG SER 83 -1.199 15.354 4.833 525 H ALA 84 H ALA 84 -4.806 12.126 4.601 526 HA ALA 84 HA ALA 84 -6.057 12.230 2.004 527 HB1 ALA 84 1HB ALA 84 -6.847 10.645 4.445 528 HB2 ALA 84 2HB ALA 84 -5.744 10.096 3.183 529 HB3 ALA 84 3HB ALA 84 -7.439 10.403 2.802 530 H ASP 85 H ASP 85 -7.402 13.810 1.538 531 HA ASP 85 HA ASP 85 -8.813 15.440 3.318 532 HB2 ASP 85 1HB ASP 85 -8.369 15.944 0.913 533 HB3 ASP 85 2HB ASP 85 -9.560 14.728 0.467 534 HA PRO 86 HA PRO 86 -12.181 13.295 5.208 535 HB2 PRO 86 1HB PRO 86 -13.800 15.228 3.578 536 HB3 PRO 86 2HB PRO 86 -14.049 14.695 5.247 537 HG2 PRO 86 1HG PRO 86 -12.819 17.009 4.698 538 HG3 PRO 86 2HG PRO 86 -12.327 15.994 6.065 539 HD2 PRO 86 1HD PRO 86 -10.905 16.553 3.559 540 HD3 PRO 86 2HD PRO 86 -10.284 15.881 5.077 541 H ASP 87 H ASP 87 -12.888 14.070 1.772 542 HA ASP 87 HA ASP 87 -14.705 11.927 1.444 543 HB2 ASP 87 1HB ASP 87 -13.204 13.663 -0.489 544 HB3 ASP 87 2HB ASP 87 -14.160 12.300 -1.063 545 H GLU 88 H GLU 88 -11.303 12.259 0.505 546 HA GLU 88 HA GLU 88 -10.944 9.638 -0.444 547 HB2 GLU 88 1HB GLU 88 -9.110 11.770 0.593 548 HB3 GLU 88 2HB GLU 88 -8.478 10.157 0.303 549 HG2 GLU 88 1HG GLU 88 -8.179 11.805 -1.562 550 HG3 GLU 88 2HG GLU 88 -8.940 10.282 -2.006 551 H LYS 89 H LYS 89 -10.755 11.050 2.755 552 HA LYS 89 HA LYS 89 -9.675 8.857 4.148 553 HB2 LYS 89 1HB LYS 89 -9.892 11.175 5.036 554 HB3 LYS 89 2HB LYS 89 -11.627 10.936 5.158 555 HG2 LYS 89 1HG LYS 89 -10.692 10.645 7.322 556 HG3 LYS 89 2HG LYS 89 -11.187 9.057 6.734 557 HD2 LYS 89 1HD LYS 89 -8.903 8.513 6.158 558 HD3 LYS 89 2HD LYS 89 -8.375 10.140 6.592 559 HE2 LYS 89 1HE LYS 89 -9.092 9.722 8.914 560 HE3 LYS 89 2HE LYS 89 -9.537 8.079 8.462 561 HZ1 LYS 89 1HZ LYS 89 -7.335 8.222 9.506 562 HZ2 LYS 89 2HZ LYS 89 -6.800 9.209 8.243 563 HZ3 LYS 89 3HZ LYS 89 -7.253 7.611 7.933 564 H THR 90 H THR 90 -12.965 9.666 3.188 565 HA THR 90 HA THR 90 -14.369 7.751 4.662 566 HB THR 90 HB THR 90 -15.018 8.720 1.870 567 HG1 THR 90 HG1 THR 90 -14.867 10.078 4.174 568 HG21 THR 90 1HG2 THR 90 -17.340 8.248 2.498 569 HG22 THR 90 2HG2 THR 90 -16.793 7.625 4.054 570 HG23 THR 90 3HG2 THR 90 -16.350 6.790 2.565 571 H LYS 91 H LYS 91 -12.964 7.542 1.397 572 HA LYS 91 HA LYS 91 -13.695 4.792 1.092 573 HB2 LYS 91 1HB LYS 91 -12.322 6.823 -0.534 574 HB3 LYS 91 2HB LYS 91 -11.787 5.170 -0.806 575 HG2 LYS 91 1HG LYS 91 -13.536 5.696 -2.356 576 HG3 LYS 91 2HG LYS 91 -14.134 4.512 -1.197 577 HD2 LYS 91 1HD LYS 91 -15.062 6.519 0.091 578 HD3 LYS 91 2HD LYS 91 -14.762 7.440 -1.385 579 HE2 LYS 91 1HE LYS 91 -16.567 5.056 -1.031 580 HE3 LYS 91 2HE LYS 91 -17.033 6.706 -1.432 581 HZ1 LYS 91 1HZ LYS 91 -15.812 6.450 -3.538 582 HZ2 LYS 91 2HZ LYS 91 -17.095 5.361 -3.393 583 HZ3 LYS 91 3HZ LYS 91 -15.503 4.827 -3.156 584 H ALA 92 H ALA 92 -10.993 6.467 2.424 585 HA ALA 92 HA ALA 92 -9.087 4.381 2.264 586 HB1 ALA 92 1HB ALA 92 -8.480 6.717 2.748 587 HB2 ALA 92 2HB ALA 92 -7.874 5.610 3.982 588 HB3 ALA 92 3HB ALA 92 -9.301 6.597 4.305 589 H LYS 93 H LYS 93 -11.610 5.246 4.525 590 HA LYS 93 HA LYS 93 -11.007 3.115 6.341 591 HB2 LYS 93 1HB LYS 93 -12.045 4.852 7.452 592 HB3 LYS 93 2HB LYS 93 -13.133 5.195 6.115 593 HG2 LYS 93 1HG LYS 93 -14.491 3.287 6.653 594 HG3 LYS 93 2HG LYS 93 -13.346 2.775 7.893 595 HD2 LYS 93 1HD LYS 93 -14.691 5.456 7.996 596 HD3 LYS 93 2HD LYS 93 -15.457 4.007 8.654 597 HE2 LYS 93 1HE LYS 93 -12.708 4.964 9.433 598 HE3 LYS 93 2HE LYS 93 -14.178 5.357 10.322 599 HZ1 LYS 93 1HZ LYS 93 -12.859 3.402 11.156 600 HZ2 LYS 93 2HZ LYS 93 -13.365 2.561 9.776 601 HZ3 LYS 93 3HZ LYS 93 -14.502 3.124 10.891 602 H LYS 94 H LYS 94 -13.595 3.767 4.002 603 HA LYS 94 HA LYS 94 -15.125 1.499 4.463 604 HB2 LYS 94 1HB LYS 94 -15.883 3.433 3.143 605 HB3 LYS 94 2HB LYS 94 -14.767 2.993 1.858 606 HG2 LYS 94 1HG LYS 94 -16.932 2.259 1.221 607 HG3 LYS 94 2HG LYS 94 -15.989 0.829 1.640 608 HD2 LYS 94 1HD LYS 94 -17.038 0.859 3.888 609 HD3 LYS 94 2HD LYS 94 -18.051 2.203 3.361 610 HE2 LYS 94 1HE LYS 94 -17.997 -0.589 2.227 611 HE3 LYS 94 2HE LYS 94 -19.292 0.147 3.170 612 HZ1 LYS 94 1HZ LYS 94 -19.558 1.779 1.354 613 HZ2 LYS 94 2HZ LYS 94 -19.873 0.194 0.866 614 HZ3 LYS 94 3HZ LYS 94 -18.410 0.929 0.445 615 H ALA 95 H ALA 95 -12.605 1.967 1.984 616 HA ALA 95 HA ALA 95 -12.918 -0.665 0.947 617 HB1 ALA 95 1HB ALA 95 -10.964 -0.158 -0.410 618 HB2 ALA 95 2HB ALA 95 -10.648 1.279 0.562 619 HB3 ALA 95 3HB ALA 95 -12.107 1.185 -0.425 620 H ALA 96 H ALA 96 -10.771 0.793 3.338 621 HA ALA 96 HA ALA 96 -8.931 -1.352 3.476 622 HB1 ALA 96 1HB ALA 96 -9.627 0.631 5.633 623 HB2 ALA 96 2HB ALA 96 -8.437 0.883 4.357 624 HB3 ALA 96 3HB ALA 96 -8.183 -0.379 5.563 625 H GLU 97 H GLU 97 -11.760 -0.545 5.497 626 HA GLU 97 HA GLU 97 -11.451 -2.820 7.161 627 HB2 GLU 97 1HB GLU 97 -13.823 -1.019 6.698 628 HB3 GLU 97 2HB GLU 97 -13.792 -2.296 7.904 629 HG2 GLU 97 1HG GLU 97 -11.751 -1.160 8.868 630 HG3 GLU 97 2HG GLU 97 -12.118 0.195 7.803 631 H GLU 98 H GLU 98 -12.811 -2.393 4.052 632 HA GLU 98 HA GLU 98 -14.421 -4.791 4.147 633 HB2 GLU 98 1HB GLU 98 -15.053 -2.887 2.715 634 HB3 GLU 98 2HB GLU 98 -13.563 -3.080 1.804 635 HG2 GLU 98 1HG GLU 98 -15.383 -4.024 0.568 636 HG3 GLU 98 2HG GLU 98 -14.310 -5.315 1.103 637 H ALA 99 H ALA 99 -11.393 -3.773 2.588 638 HA ALA 99 HA ALA 99 -10.938 -6.363 1.452 639 HB1 ALA 99 1HB ALA 99 -8.869 -5.414 0.614 640 HB2 ALA 99 2HB ALA 99 -9.085 -3.997 1.642 641 HB3 ALA 99 3HB ALA 99 -10.219 -4.316 0.331 642 H ARG 100 H ARG 100 -10.336 -5.043 4.525 643 HA ARG 100 HA ARG 100 -7.863 -6.158 5.197 644 HB2 ARG 100 1HB ARG 100 -8.455 -5.837 7.494 645 HB3 ARG 100 2HB ARG 100 -9.113 -4.494 6.573 646 HG2 ARG 100 1HG ARG 100 -11.321 -5.491 6.641 647 HG3 ARG 100 2HG ARG 100 -10.677 -6.895 7.494 648 HD2 ARG 100 1HD ARG 100 -10.742 -4.053 8.497 649 HD3 ARG 100 2HD ARG 100 -11.737 -5.392 9.065 650 HE ARG 100 HE ARG 100 -8.951 -5.959 9.303 651 HH11 ARG 100 1HH1 ARG 100 -11.620 -4.285 10.827 652 HH12 ARG 100 2HH1 ARG 100 -10.891 -4.304 12.401 653 HH21 ARG 100 1HH2 ARG 100 -7.979 -5.960 11.355 654 HH22 ARG 100 2HH2 ARG 100 -8.813 -5.258 12.706 655 H LYS 101 H LYS 101 -10.898 -7.686 4.718 656 HA LYS 101 HA LYS 101 -10.553 -10.004 6.287 657 HB2 LYS 101 1HB LYS 101 -12.045 -9.676 3.676 658 HB3 LYS 101 2HB LYS 101 -12.230 -11.016 4.796 659 HG2 LYS 101 1HG LYS 101 -12.858 -8.138 5.429 660 HG3 LYS 101 2HG LYS 101 -14.043 -9.356 4.958 661 HD2 LYS 101 1HD LYS 101 -12.275 -9.482 7.405 662 HD3 LYS 101 2HD LYS 101 -13.975 -9.015 7.394 663 HE2 LYS 101 1HE LYS 101 -12.857 -11.699 6.596 664 HE3 LYS 101 2HE LYS 101 -13.722 -11.334 8.085 665 HZ1 LYS 101 1HZ LYS 101 -15.153 -12.385 6.444 666 HZ2 LYS 101 2HZ LYS 101 -14.855 -11.137 5.347 667 HZ3 LYS 101 3HZ LYS 101 -15.684 -10.816 6.784 668 H TRP 102 H TRP 102 -9.169 -8.969 3.306 669 HA TRP 102 HA TRP 102 -8.096 -11.645 2.751 670 HB2 TRP 102 1HB TRP 102 -7.890 -9.166 1.031 671 HB3 TRP 102 2HB TRP 102 -7.577 -10.833 0.548 672 HD1 TRP 102 HD1 TRP 102 -10.269 -8.273 0.622 673 HE1 TRP 102 HE1 TRP 102 -12.515 -9.314 -0.085 674 HE3 TRP 102 HE3 TRP 102 -8.963 -13.208 0.818 675 HZ2 TRP 102 HZ2 TRP 102 -13.584 -11.893 -0.501 676 HZ3 TRP 102 HZ3 TRP 102 -10.657 -14.901 0.256 677 HH2 TRP 102 HH2 TRP 102 -12.920 -14.253 -0.388 678 H ASN 103 H ASN 103 -7.324 -9.618 4.846 679 HA ASN 103 HA ASN 103 -5.475 -8.959 5.954 680 HB2 ASN 103 1HB ASN 103 -4.690 -11.283 5.261 681 HB3 ASN 103 2HB ASN 103 -3.804 -10.491 3.964 682 HD21 ASN 103 1HD2 ASN 103 -1.835 -11.177 4.791 683 HD22 ASN 103 2HD2 ASN 103 -1.144 -10.483 6.221 684 H VAL 104 H VAL 104 -6.554 -7.504 3.656 685 HA VAL 104 HA VAL 104 -4.275 -6.039 2.622 686 HB VAL 104 HB VAL 104 -7.228 -5.428 2.364 687 HG11 VAL 104 1HG1 VAL 104 -6.559 -3.997 0.494 688 HG12 VAL 104 2HG1 VAL 104 -4.865 -4.346 0.835 689 HG13 VAL 104 3HG1 VAL 104 -5.837 -3.463 2.012 690 HG21 VAL 104 1HG2 VAL 104 -5.377 -6.834 0.444 691 HG22 VAL 104 2HG2 VAL 104 -7.048 -6.379 0.114 692 HG23 VAL 104 3HG2 VAL 104 -6.689 -7.575 1.358 693 H ARG 105 H ARG 105 -3.543 -4.123 3.409 694 HA ARG 105 HA ARG 105 -5.059 -2.867 5.579 695 HB2 ARG 105 1HB ARG 105 -2.850 -2.577 6.794 696 HB3 ARG 105 2HB ARG 105 -3.526 -4.198 6.781 697 HG2 ARG 105 1HG ARG 105 -2.008 -4.618 4.769 698 HG3 ARG 105 2HG ARG 105 -1.184 -3.134 5.252 699 HD2 ARG 105 1HD ARG 105 -0.058 -5.036 6.222 700 HD3 ARG 105 2HD ARG 105 -0.832 -4.090 7.492 701 HE ARG 105 HE ARG 105 -2.194 -6.454 6.404 702 HH11 ARG 105 1HH1 ARG 105 -0.694 -4.797 9.099 703 HH12 ARG 105 2HH1 ARG 105 -1.233 -5.949 10.274 704 HH21 ARG 105 1HH2 ARG 105 -2.906 -7.981 7.956 705 HH22 ARG 105 2HH2 ARG 105 -2.497 -7.748 9.629 706 H VAL 106 H VAL 106 -4.950 -0.684 5.656 707 HA VAL 106 HA VAL 106 -3.398 0.604 3.504 708 HB VAL 106 HB VAL 106 -6.092 1.494 4.547 709 HG11 VAL 106 1HG1 VAL 106 -6.095 2.975 2.603 710 HG12 VAL 106 2HG1 VAL 106 -4.487 2.402 2.159 711 HG13 VAL 106 3HG1 VAL 106 -4.720 3.304 3.657 712 HG21 VAL 106 1HG2 VAL 106 -5.436 0.032 1.992 713 HG22 VAL 106 2HG2 VAL 106 -7.015 0.675 2.437 714 HG23 VAL 106 3HG2 VAL 106 -6.301 -0.633 3.377 715 H ARG 107 H ARG 107 -2.044 2.156 4.128 716 HA ARG 107 HA ARG 107 -2.426 3.354 6.790 717 HB2 ARG 107 1HB ARG 107 -0.686 1.619 6.878 718 HB3 ARG 107 2HB ARG 107 0.182 2.419 5.578 719 HG2 ARG 107 1HG ARG 107 1.170 3.824 6.981 720 HG3 ARG 107 2HG ARG 107 -0.355 4.217 7.774 721 HD2 ARG 107 1HD ARG 107 1.317 1.767 8.313 722 HD3 ARG 107 2HD ARG 107 1.267 3.212 9.324 723 HE ARG 107 HE ARG 107 -1.349 2.311 9.046 724 HH11 ARG 107 1HH1 ARG 107 1.652 1.185 10.436 725 HH12 ARG 107 2HH1 ARG 107 0.884 0.252 11.675 726 HH21 ARG 107 1HH2 ARG 107 -2.376 1.074 10.661 727 HH22 ARG 107 2HH2 ARG 107 -1.418 0.169 11.792 728 H THR 108 H THR 108 -2.074 5.517 6.942 729 HA THR 108 HA THR 108 -1.625 6.937 4.425 730 HB THR 108 HB THR 108 -2.367 8.175 7.076 731 HG1 THR 108 HG1 THR 108 -3.820 6.479 5.548 732 HG21 THR 108 1HG2 THR 108 -1.622 9.705 5.312 733 HG22 THR 108 2HG2 THR 108 -3.338 9.919 5.652 734 HG23 THR 108 3HG2 THR 108 -2.829 9.034 4.214 735 H VAL 109 H VAL 109 0.355 7.612 3.962 736 HA VAL 109 HA VAL 109 2.193 8.153 6.189 737 HB VAL 109 HB VAL 109 4.027 7.775 4.470 738 HG11 VAL 109 1HG1 VAL 109 3.535 6.171 6.213 739 HG12 VAL 109 2HG1 VAL 109 3.892 5.325 4.710 740 HG13 VAL 109 3HG1 VAL 109 2.224 5.488 5.252 741 HG21 VAL 109 1HG2 VAL 109 2.683 7.923 2.445 742 HG22 VAL 109 2HG2 VAL 109 1.732 6.529 2.955 743 HG23 VAL 109 3HG2 VAL 109 3.440 6.334 2.563 744 H THR 110 H THR 110 2.373 10.218 6.548 745 HA THR 110 HA THR 110 1.667 12.166 4.564 746 HB THR 110 HB THR 110 2.895 12.778 7.247 747 HG1 THR 110 HG1 THR 110 0.321 11.763 6.619 748 HG21 THR 110 1HG2 THR 110 2.449 14.655 5.716 749 HG22 THR 110 2HG2 THR 110 1.412 14.720 7.142 750 HG23 THR 110 3HG2 THR 110 0.762 14.152 5.604 751 H SER 111 H SER 111 4.535 10.583 5.451 752 HA SER 111 HA SER 111 6.103 12.503 3.891 753 HB2 SER 111 1HB SER 111 7.979 12.248 5.505 754 HB3 SER 111 2HB SER 111 6.566 13.020 6.224 755 HG SER 111 HG SER 111 6.281 11.350 7.491 756 HA PRO 112 HA PRO 112 7.771 8.964 1.792 757 HB2 PRO 112 1HB PRO 112 10.466 10.152 2.050 758 HB3 PRO 112 2HB PRO 112 9.559 9.730 0.595 759 HG2 PRO 112 1HG PRO 112 9.916 12.282 1.334 760 HG3 PRO 112 2HG PRO 112 8.416 11.737 0.564 761 HD2 PRO 112 1HD PRO 112 8.968 12.332 3.439 762 HD3 PRO 112 2HD PRO 112 7.511 12.654 2.479 763 H ASP 113 H ASP 113 9.486 10.127 4.645 764 HA ASP 113 HA ASP 113 11.132 7.878 5.033 765 HB2 ASP 113 1HB ASP 113 11.551 10.033 6.132 766 HB3 ASP 113 2HB ASP 113 10.090 9.830 7.094 767 H GLU 114 H GLU 114 7.910 8.674 6.281 768 HA GLU 114 HA GLU 114 7.646 6.381 7.908 769 HB2 GLU 114 1HB GLU 114 5.571 8.145 6.610 770 HB3 GLU 114 2HB GLU 114 5.175 6.842 7.721 771 HG2 GLU 114 1HG GLU 114 6.859 9.254 8.349 772 HG3 GLU 114 2HG GLU 114 5.192 8.987 8.852 773 H ALA 115 H ALA 115 6.877 7.001 4.519 774 HA ALA 115 HA ALA 115 5.538 4.618 3.935 775 HB1 ALA 115 1HB ALA 115 5.662 6.521 2.387 776 HB2 ALA 115 2HB ALA 115 6.154 5.016 1.614 777 HB3 ALA 115 3HB ALA 115 7.372 6.185 2.121 778 H LYS 116 H LYS 116 8.988 5.389 3.633 779 HA LYS 116 HA LYS 116 9.836 2.811 2.875 780 HB2 LYS 116 1HB LYS 116 11.377 4.974 4.326 781 HB3 LYS 116 2HB LYS 116 12.080 3.609 3.466 782 HG2 LYS 116 1HG LYS 116 11.506 4.455 1.387 783 HG3 LYS 116 2HG LYS 116 10.264 5.517 2.051 784 HD2 LYS 116 1HD LYS 116 12.093 6.892 1.407 785 HD3 LYS 116 2HD LYS 116 12.099 6.807 3.168 786 HE2 LYS 116 1HE LYS 116 13.867 5.138 3.096 787 HE3 LYS 116 2HE LYS 116 13.839 5.164 1.333 788 HZ1 LYS 116 1HZ LYS 116 15.608 6.545 1.991 789 HZ2 LYS 116 2HZ LYS 116 14.683 7.328 3.165 790 HZ3 LYS 116 3HZ LYS 116 14.365 7.603 1.525 791 H ARG 117 H ARG 117 9.314 4.331 5.973 792 HA ARG 117 HA ARG 117 10.493 2.489 7.697 793 HB2 ARG 117 1HB ARG 117 9.637 4.622 8.474 794 HB3 ARG 117 2HB ARG 117 8.000 4.163 8.034 795 HG2 ARG 117 1HG ARG 117 8.308 2.246 9.719 796 HG3 ARG 117 2HG ARG 117 9.678 3.190 10.311 797 HD2 ARG 117 1HD ARG 117 8.094 5.140 10.497 798 HD3 ARG 117 2HD ARG 117 6.785 4.011 10.180 799 HE ARG 117 HE ARG 117 8.196 2.918 12.262 800 HH11 ARG 117 1HH1 ARG 117 6.488 5.936 11.690 801 HH12 ARG 117 2HH1 ARG 117 6.084 6.151 13.367 802 HH21 ARG 117 1HH2 ARG 117 7.679 3.218 14.447 803 HH22 ARG 117 2HH2 ARG 117 6.758 4.605 14.936 804 H TRP 118 H TRP 118 7.103 2.642 6.606 805 HA TRP 118 HA TRP 118 6.361 0.287 7.971 806 HB2 TRP 118 1HB TRP 118 4.985 1.660 5.657 807 HB3 TRP 118 2HB TRP 118 4.265 0.418 6.678 808 HD1 TRP 118 HD1 TRP 118 3.963 3.897 6.285 809 HE1 TRP 118 HE1 TRP 118 3.407 5.140 8.465 810 HE3 TRP 118 HE3 TRP 118 5.215 0.242 9.634 811 HZ2 TRP 118 HZ2 TRP 118 3.486 4.631 11.239 812 HZ3 TRP 118 HZ3 TRP 118 4.947 0.704 12.033 813 HH2 TRP 118 HH2 TRP 118 4.101 2.854 12.817 814 H ILE 119 H ILE 119 7.418 0.904 4.672 815 HA ILE 119 HA ILE 119 6.907 -1.588 3.541 816 HB ILE 119 HB ILE 119 9.160 0.353 3.023 817 HG12 ILE 119 1HG1 ILE 119 6.631 -0.267 1.480 818 HG13 ILE 119 2HG1 ILE 119 6.861 1.126 2.531 819 HG21 ILE 119 1HG2 ILE 119 9.884 -1.869 2.329 820 HG22 ILE 119 2HG2 ILE 119 9.567 -0.847 0.926 821 HG23 ILE 119 3HG2 ILE 119 8.396 -2.075 1.407 822 HD11 ILE 119 1HD1 ILE 119 8.409 0.542 0.018 823 HD12 ILE 119 2HD1 ILE 119 8.624 1.945 1.063 824 HD13 ILE 119 3HD1 ILE 119 7.109 1.721 0.188 825 H LYS 120 H LYS 120 9.589 -0.517 5.567 826 HA LYS 120 HA LYS 120 10.997 -3.008 5.406 827 HB2 LYS 120 1HB LYS 120 12.184 -0.925 5.881 828 HB3 LYS 120 2HB LYS 120 11.250 -0.705 7.351 829 HG2 LYS 120 1HG LYS 120 13.475 -1.517 7.857 830 HG3 LYS 120 2HG LYS 120 12.258 -2.715 8.301 831 HD2 LYS 120 1HD LYS 120 14.087 -3.849 7.245 832 HD3 LYS 120 2HD LYS 120 12.710 -3.879 6.147 833 HE2 LYS 120 1HE LYS 120 14.693 -3.380 4.892 834 HE3 LYS 120 2HE LYS 120 13.683 -1.939 4.950 835 HZ1 LYS 120 1HZ LYS 120 16.087 -2.474 6.607 836 HZ2 LYS 120 2HZ LYS 120 15.091 -1.119 6.767 837 HZ3 LYS 120 3HZ LYS 120 15.965 -1.356 5.343 838 H GLU 121 H GLU 121 8.843 -1.478 7.756 839 HA GLU 121 HA GLU 121 9.074 -3.383 9.800 840 HB2 GLU 121 1HB GLU 121 8.095 -1.115 10.047 841 HB3 GLU 121 2HB GLU 121 6.688 -1.648 9.137 842 HG2 GLU 121 1HG GLU 121 6.163 -1.671 11.466 843 HG3 GLU 121 2HG GLU 121 6.245 -3.335 10.888 844 H PHE 122 H PHE 122 6.861 -3.209 7.040 845 HA PHE 122 HA PHE 122 5.351 -5.483 7.967 846 HB2 PHE 122 1HB PHE 122 5.142 -3.725 5.539 847 HB3 PHE 122 2HB PHE 122 4.170 -5.185 5.712 848 HD1 PHE 122 HD1 PHE 122 2.513 -5.364 7.510 849 HD2 PHE 122 HD2 PHE 122 4.664 -1.761 6.822 850 HE1 PHE 122 HE1 PHE 122 0.883 -4.131 8.876 851 HE2 PHE 122 HE2 PHE 122 3.035 -0.521 8.183 852 HZ PHE 122 HZ PHE 122 1.141 -1.708 9.214 853 H SER 123 H SER 123 8.140 -5.067 6.037 854 HA SER 123 HA SER 123 7.785 -7.641 4.726 855 HB2 SER 123 1HB SER 123 10.072 -7.141 3.770 856 HB3 SER 123 2HB SER 123 8.817 -5.980 3.350 857 HG SER 123 HG SER 123 9.770 -4.484 4.516 858 H GLU 124 H GLU 124 9.642 -6.168 7.321 859 HA GLU 124 HA GLU 124 11.190 -8.508 7.883 860 HB2 GLU 124 1HB GLU 124 11.862 -6.172 8.501 861 HB3 GLU 124 2HB GLU 124 10.588 -6.178 9.713 862 HG2 GLU 124 1HG GLU 124 12.748 -6.650 10.710 863 HG3 GLU 124 2HG GLU 124 11.668 -8.036 10.856 864 H GLU 125 H GLU 125 8.224 -7.080 9.125 865 HA GLU 125 HA GLU 125 6.421 -7.967 10.166 866 HB2 GLU 125 1HB GLU 125 7.655 -10.666 9.599 867 HB3 GLU 125 2HB GLU 125 5.966 -10.333 9.957 868 HG2 GLU 125 1HG GLU 125 5.733 -9.118 7.879 869 HG3 GLU 125 2HG GLU 125 7.446 -9.344 7.529 Start of MODEL 14 1 HA MET 21 HA MET 21 2.600 -15.195 2.051 2 HB2 MET 21 1HB MET 21 4.373 -16.183 3.411 3 HB3 MET 21 2HB MET 21 5.583 -15.680 2.241 4 HG2 MET 21 1HG MET 21 5.088 -13.341 2.732 5 HG3 MET 21 2HG MET 21 3.866 -13.845 3.898 6 HE1 MET 21 1HE MET 21 6.748 -12.440 6.163 7 HE2 MET 21 2HE MET 21 5.051 -12.297 5.707 8 HE3 MET 21 3HE MET 21 6.314 -11.846 4.562 9 H ARG 22 H ARG 22 1.916 -13.947 0.312 10 HA ARG 22 HA ARG 22 3.976 -12.700 -1.348 11 HB2 ARG 22 1HB ARG 22 0.967 -12.729 -1.549 12 HB3 ARG 22 2HB ARG 22 1.989 -11.749 -2.590 13 HG2 ARG 22 1HG ARG 22 2.099 -14.747 -2.372 14 HG3 ARG 22 2HG ARG 22 1.299 -13.842 -3.655 15 HD2 ARG 22 1HD ARG 22 3.432 -12.858 -4.305 16 HD3 ARG 22 2HD ARG 22 4.240 -13.721 -2.998 17 HE ARG 22 HE ARG 22 2.967 -15.644 -4.511 18 HH11 ARG 22 1HH1 ARG 22 5.435 -13.218 -5.045 19 HH12 ARG 22 2HH1 ARG 22 6.249 -14.135 -6.272 20 HH21 ARG 22 1HH2 ARG 22 4.030 -16.852 -6.110 21 HH22 ARG 22 2HH2 ARG 22 5.450 -16.212 -6.873 22 H LEU 23 H LEU 23 4.702 -10.736 -0.986 23 HA LEU 23 HA LEU 23 3.182 -8.993 0.832 24 HB2 LEU 23 1HB LEU 23 6.132 -9.010 0.199 25 HB3 LEU 23 2HB LEU 23 5.341 -7.868 1.267 26 HG LEU 23 HG LEU 23 5.612 -10.842 1.715 27 HD11 LEU 23 1HD1 LEU 23 7.018 -10.168 3.605 28 HD12 LEU 23 2HD1 LEU 23 6.860 -8.482 3.114 29 HD13 LEU 23 3HD1 LEU 23 7.687 -9.633 2.065 30 HD21 LEU 23 1HD2 LEU 23 4.318 -8.731 3.438 31 HD22 LEU 23 2HD2 LEU 23 4.604 -10.407 3.906 32 HD23 LEU 23 3HD2 LEU 23 3.490 -10.038 2.590 33 H VAL 24 H VAL 24 2.016 -7.635 -0.333 34 HA VAL 24 HA VAL 24 3.199 -6.482 -2.776 35 HB VAL 24 HB VAL 24 0.254 -6.819 -2.174 36 HG11 VAL 24 1HG1 VAL 24 0.774 -5.010 -3.731 37 HG12 VAL 24 2HG1 VAL 24 -0.051 -6.337 -4.548 38 HG13 VAL 24 3HG1 VAL 24 1.691 -6.133 -4.738 39 HG21 VAL 24 1HG2 VAL 24 2.028 -8.528 -3.916 40 HG22 VAL 24 2HG2 VAL 24 0.276 -8.669 -3.776 41 HG23 VAL 24 3HG2 VAL 24 1.301 -9.008 -2.382 42 H VAL 25 H VAL 25 3.025 -4.261 -3.080 43 HA VAL 25 HA VAL 25 1.706 -2.729 -0.940 44 HB VAL 25 HB VAL 25 4.407 -2.020 -2.109 45 HG11 VAL 25 1HG1 VAL 25 3.082 -0.073 -1.499 46 HG12 VAL 25 2HG1 VAL 25 4.439 -0.276 -0.389 47 HG13 VAL 25 3HG1 VAL 25 2.813 -0.743 0.110 48 HG21 VAL 25 1HG2 VAL 25 4.605 -3.947 -0.626 49 HG22 VAL 25 2HG2 VAL 25 3.732 -3.078 0.638 50 HG23 VAL 25 3HG2 VAL 25 5.320 -2.514 0.114 51 H LEU 26 H LEU 26 0.172 -1.520 -1.848 52 HA LEU 26 HA LEU 26 0.687 -0.386 -4.514 53 HB2 LEU 26 1HB LEU 26 -1.914 -0.805 -3.039 54 HB3 LEU 26 2HB LEU 26 -1.783 0.170 -4.492 55 HG LEU 26 HG LEU 26 -0.705 -2.101 -5.414 56 HD11 LEU 26 1HD1 LEU 26 -2.620 -2.962 -3.267 57 HD12 LEU 26 2HD1 LEU 26 -0.922 -3.408 -3.433 58 HD13 LEU 26 3HD1 LEU 26 -2.109 -3.990 -4.606 59 HD21 LEU 26 1HD2 LEU 26 -2.903 -2.597 -6.363 60 HD22 LEU 26 2HD2 LEU 26 -2.524 -0.876 -6.428 61 HD23 LEU 26 3HD2 LEU 26 -3.642 -1.488 -5.208 62 H ILE 27 H ILE 27 1.221 1.669 -4.610 63 HA ILE 27 HA ILE 27 0.774 3.327 -2.222 64 HB ILE 27 HB ILE 27 3.087 3.197 -2.568 65 HG12 ILE 27 1HG1 ILE 27 3.779 5.469 -3.397 66 HG13 ILE 27 2HG1 ILE 27 2.111 5.738 -3.888 67 HG21 ILE 27 1HG2 ILE 27 3.138 2.164 -4.721 68 HG22 ILE 27 2HG2 ILE 27 4.175 3.592 -4.753 69 HG23 ILE 27 3HG2 ILE 27 2.573 3.646 -5.492 70 HD11 ILE 27 1HD1 ILE 27 3.080 5.256 -1.083 71 HD12 ILE 27 2HD1 ILE 27 1.403 5.509 -1.562 72 HD13 ILE 27 3HD1 ILE 27 2.584 6.802 -1.768 73 H VAL 28 H VAL 28 -0.730 4.818 -2.340 74 HA VAL 28 HA VAL 28 -1.533 5.875 -4.962 75 HB VAL 28 HB VAL 28 -2.852 6.289 -2.269 76 HG11 VAL 28 1HG1 VAL 28 -3.352 8.054 -3.867 77 HG12 VAL 28 2HG1 VAL 28 -4.775 7.051 -3.583 78 HG13 VAL 28 3HG1 VAL 28 -3.838 6.854 -5.063 79 HG21 VAL 28 1HG2 VAL 28 -4.520 4.664 -2.994 80 HG22 VAL 28 2HG2 VAL 28 -2.914 3.938 -2.906 81 HG23 VAL 28 3HG2 VAL 28 -3.601 4.375 -4.471 82 H SER 29 H SER 29 0.108 7.325 -5.365 83 HA SER 29 HA SER 29 -0.274 9.910 -4.327 84 HB2 SER 29 1HB SER 29 1.061 8.833 -2.446 85 HB3 SER 29 2HB SER 29 2.402 8.706 -3.584 86 HG SER 29 HG SER 29 1.086 11.149 -2.992 87 H ASN 30 H ASN 30 0.814 11.469 -5.623 88 HA ASN 30 HA ASN 30 2.532 10.314 -7.719 89 HB2 ASN 30 1HB ASN 30 0.797 12.792 -7.765 90 HB3 ASN 30 2HB ASN 30 2.020 12.455 -8.986 91 HD21 ASN 30 1HD2 ASN 30 1.702 10.774 -10.434 92 HD22 ASN 30 2HD2 ASN 30 0.152 10.046 -10.674 93 H ASP 31 H ASP 31 4.267 10.350 -6.269 94 HA ASP 31 HA ASP 31 5.506 13.007 -6.012 95 HB2 ASP 31 1HB ASP 31 4.803 11.943 -3.805 96 HB3 ASP 31 2HB ASP 31 5.993 10.689 -4.132 97 H LYS 32 H LYS 32 7.896 12.933 -6.207 98 HA LYS 32 HA LYS 32 8.720 10.754 -7.963 99 HB2 LYS 32 1HB LYS 32 10.196 13.268 -7.171 100 HB3 LYS 32 2HB LYS 32 10.759 12.086 -8.338 101 HG2 LYS 32 1HG LYS 32 8.199 13.634 -8.653 102 HG3 LYS 32 2HG LYS 32 9.748 14.164 -9.302 103 HD2 LYS 32 1HD LYS 32 8.912 13.082 -11.137 104 HD3 LYS 32 2HD LYS 32 9.740 11.738 -10.356 105 HE2 LYS 32 1HE LYS 32 7.525 11.069 -11.105 106 HE3 LYS 32 2HE LYS 32 7.619 11.024 -9.351 107 HZ1 LYS 32 1HZ LYS 32 6.368 13.161 -10.983 108 HZ2 LYS 32 2HZ LYS 32 6.516 13.197 -9.302 109 HZ3 LYS 32 3HZ LYS 32 5.559 12.015 -10.039 110 H LYS 33 H LYS 33 10.100 12.416 -5.142 111 HA LYS 33 HA LYS 33 12.187 10.553 -4.808 112 HB2 LYS 33 1HB LYS 33 11.057 12.423 -2.723 113 HB3 LYS 33 2HB LYS 33 12.661 11.705 -2.732 114 HG2 LYS 33 1HG LYS 33 13.146 12.953 -4.822 115 HG3 LYS 33 2HG LYS 33 11.583 13.755 -4.653 116 HD2 LYS 33 1HD LYS 33 12.323 14.538 -2.397 117 HD3 LYS 33 2HD LYS 33 13.923 13.888 -2.757 118 HE2 LYS 33 1HE LYS 33 12.467 16.061 -4.255 119 HE3 LYS 33 2HE LYS 33 13.879 16.258 -3.220 120 HZ1 LYS 33 1HZ LYS 33 13.794 14.750 -5.779 121 HZ2 LYS 33 2HZ LYS 33 15.150 14.901 -4.780 122 HZ3 LYS 33 3HZ LYS 33 14.504 16.266 -5.538 123 H LEU 34 H LEU 34 8.977 10.788 -3.378 124 HA LEU 34 HA LEU 34 9.402 8.845 -1.348 125 HB2 LEU 34 1HB LEU 34 7.544 10.594 -1.513 126 HB3 LEU 34 2HB LEU 34 6.761 9.512 -2.643 127 HG LEU 34 HG LEU 34 5.934 9.457 -0.245 128 HD11 LEU 34 1HD1 LEU 34 6.893 6.879 -1.474 129 HD12 LEU 34 2HD1 LEU 34 5.368 7.697 -1.814 130 HD13 LEU 34 3HD1 LEU 34 5.669 7.023 -0.213 131 HD21 LEU 34 1HD2 LEU 34 8.471 7.903 0.203 132 HD22 LEU 34 2HD2 LEU 34 7.191 8.218 1.375 133 HD23 LEU 34 3HD2 LEU 34 8.186 9.546 0.774 134 H ILE 35 H ILE 35 7.930 8.679 -4.571 135 HA ILE 35 HA ILE 35 7.289 5.932 -4.425 136 HB ILE 35 HB ILE 35 7.577 7.792 -6.781 137 HG12 ILE 35 1HG1 ILE 35 5.199 6.595 -5.340 138 HG13 ILE 35 2HG1 ILE 35 5.710 8.278 -5.303 139 HG21 ILE 35 1HG2 ILE 35 6.566 4.947 -6.789 140 HG22 ILE 35 2HG2 ILE 35 8.063 5.514 -7.527 141 HG23 ILE 35 3HG2 ILE 35 6.509 6.068 -8.149 142 HD11 ILE 35 1HD1 ILE 35 4.692 6.801 -7.719 143 HD12 ILE 35 2HD1 ILE 35 5.190 8.493 -7.673 144 HD13 ILE 35 3HD1 ILE 35 3.785 7.962 -6.749 145 H GLU 36 H GLU 36 10.098 7.665 -5.714 146 HA GLU 36 HA GLU 36 11.379 5.543 -6.983 147 HB2 GLU 36 1HB GLU 36 12.594 7.876 -5.496 148 HB3 GLU 36 2HB GLU 36 13.494 6.791 -6.545 149 HG2 GLU 36 1HG GLU 36 12.124 7.485 -8.441 150 HG3 GLU 36 2HG GLU 36 11.218 8.570 -7.388 151 H GLU 37 H GLU 37 11.799 6.673 -3.628 152 HA GLU 37 HA GLU 37 13.684 4.659 -2.987 153 HB2 GLU 37 1HB GLU 37 13.527 6.815 -1.794 154 HB3 GLU 37 2HB GLU 37 11.988 6.309 -1.110 155 HG2 GLU 37 1HG GLU 37 12.983 4.684 0.234 156 HG3 GLU 37 2HG GLU 37 14.475 4.694 -0.704 157 H ALA 38 H ALA 38 10.188 4.933 -2.436 158 HA ALA 38 HA ALA 38 9.883 2.586 -0.918 159 HB1 ALA 38 1HB ALA 38 7.526 2.679 -1.542 160 HB2 ALA 38 2HB ALA 38 7.898 3.850 -2.808 161 HB3 ALA 38 3HB ALA 38 8.128 4.281 -1.112 162 H ARG 39 H ARG 39 9.924 3.147 -4.391 163 HA ARG 39 HA ARG 39 9.257 0.509 -5.173 164 HB2 ARG 39 1HB ARG 39 9.086 2.447 -6.679 165 HB3 ARG 39 2HB ARG 39 10.834 2.623 -6.653 166 HG2 ARG 39 1HG ARG 39 11.070 0.437 -7.718 167 HG3 ARG 39 2HG ARG 39 9.314 0.265 -7.746 168 HD2 ARG 39 1HD ARG 39 9.133 2.236 -9.164 169 HD3 ARG 39 2HD ARG 39 10.883 2.447 -9.113 170 HE ARG 39 HE ARG 39 10.603 -0.058 -10.086 171 HH11 ARG 39 1HH1 ARG 39 9.227 3.023 -10.996 172 HH12 ARG 39 2HH1 ARG 39 9.083 2.616 -12.674 173 HH21 ARG 39 1HH2 ARG 39 10.428 -0.610 -12.294 174 HH22 ARG 39 2HH2 ARG 39 9.758 0.532 -13.415 175 H LYS 40 H LYS 40 12.335 2.163 -4.616 176 HA LYS 40 HA LYS 40 14.000 0.032 -5.421 177 HB2 LYS 40 1HB LYS 40 14.523 2.289 -3.483 178 HB3 LYS 40 2HB LYS 40 15.757 1.187 -4.076 179 HG2 LYS 40 1HG LYS 40 15.314 1.940 -6.369 180 HG3 LYS 40 2HG LYS 40 14.112 3.072 -5.751 181 HD2 LYS 40 1HD LYS 40 16.183 4.240 -6.153 182 HD3 LYS 40 2HD LYS 40 15.882 4.166 -4.418 183 HE2 LYS 40 1HE LYS 40 18.231 3.710 -4.969 184 HE3 LYS 40 2HE LYS 40 17.453 2.331 -4.196 185 HZ1 LYS 40 1HZ LYS 40 17.219 1.273 -6.327 186 HZ2 LYS 40 2HZ LYS 40 18.836 1.702 -6.101 187 HZ3 LYS 40 3HZ LYS 40 17.854 2.622 -7.123 188 H MET 41 H MET 41 12.575 0.889 -2.299 189 HA MET 41 HA MET 41 13.832 -1.052 -0.726 190 HB2 MET 41 1HB MET 41 11.050 0.104 -0.530 191 HB3 MET 41 2HB MET 41 11.751 -0.951 0.688 192 HG2 MET 41 1HG MET 41 13.567 0.697 1.000 193 HG3 MET 41 2HG MET 41 12.735 1.767 -0.127 194 HE1 MET 41 1HE MET 41 12.571 -0.087 3.297 195 HE2 MET 41 2HE MET 41 11.065 -0.631 2.553 196 HE3 MET 41 3HE MET 41 11.022 0.448 3.948 197 H ALA 42 H ALA 42 10.773 -1.212 -2.511 198 HA ALA 42 HA ALA 42 10.160 -3.885 -1.921 199 HB1 ALA 42 1HB ALA 42 9.419 -2.286 -4.368 200 HB2 ALA 42 2HB ALA 42 8.533 -2.311 -2.843 201 HB3 ALA 42 3HB ALA 42 8.640 -3.773 -3.826 202 H GLU 43 H GLU 43 12.085 -2.426 -4.483 203 HA GLU 43 HA GLU 43 12.517 -4.756 -6.002 204 HB2 GLU 43 1HB GLU 43 12.952 -2.517 -6.865 205 HB3 GLU 43 2HB GLU 43 14.229 -2.287 -5.680 206 HG2 GLU 43 1HG GLU 43 15.552 -4.019 -6.716 207 HG3 GLU 43 2HG GLU 43 14.252 -4.360 -7.858 208 H LYS 44 H LYS 44 14.355 -3.293 -3.351 209 HA LYS 44 HA LYS 44 16.463 -5.189 -3.362 210 HB2 LYS 44 1HB LYS 44 15.447 -3.330 -1.211 211 HB3 LYS 44 2HB LYS 44 16.886 -4.321 -1.032 212 HG2 LYS 44 1HG LYS 44 16.490 -2.224 -3.156 213 HG3 LYS 44 2HG LYS 44 17.378 -1.989 -1.652 214 HD2 LYS 44 1HD LYS 44 18.058 -3.933 -3.859 215 HD3 LYS 44 2HD LYS 44 18.919 -2.443 -3.467 216 HE2 LYS 44 1HE LYS 44 18.689 -4.917 -1.756 217 HE3 LYS 44 2HE LYS 44 20.133 -4.315 -2.565 218 HZ1 LYS 44 1HZ LYS 44 18.682 -2.965 -0.356 219 HZ2 LYS 44 2HZ LYS 44 20.034 -2.340 -1.153 220 HZ3 LYS 44 3HZ LYS 44 20.171 -3.753 -0.235 221 H ALA 45 H ALA 45 13.478 -4.933 -1.467 222 HA ALA 45 HA ALA 45 14.094 -7.338 0.017 223 HB1 ALA 45 1HB ALA 45 11.906 -6.913 1.105 224 HB2 ALA 45 2HB ALA 45 11.689 -5.528 0.033 225 HB3 ALA 45 3HB ALA 45 13.018 -5.547 1.190 226 H ASN 46 H ASN 46 12.980 -6.822 -3.000 227 HA ASN 46 HA ASN 46 12.005 -8.101 -4.588 228 HB2 ASN 46 1HB ASN 46 12.319 -10.281 -2.517 229 HB3 ASN 46 2HB ASN 46 11.822 -10.559 -4.181 230 HD21 ASN 46 1HD2 ASN 46 13.623 -8.506 -5.244 231 HD22 ASN 46 2HD2 ASN 46 15.209 -9.182 -5.158 232 H LEU 47 H LEU 47 10.358 -6.583 -2.864 233 HA LEU 47 HA LEU 47 7.940 -8.193 -2.519 234 HB2 LEU 47 1HB LEU 47 8.258 -5.239 -1.994 235 HB3 LEU 47 2HB LEU 47 6.998 -6.297 -1.399 236 HG LEU 47 HG LEU 47 9.866 -6.159 -0.499 237 HD11 LEU 47 1HD1 LEU 47 8.361 -4.513 0.458 238 HD12 LEU 47 2HD1 LEU 47 8.851 -5.696 1.669 239 HD13 LEU 47 3HD1 LEU 47 7.249 -5.793 0.940 240 HD21 LEU 47 1HD2 LEU 47 9.414 -8.017 0.991 241 HD22 LEU 47 2HD2 LEU 47 9.198 -8.518 -0.686 242 HD23 LEU 47 3HD2 LEU 47 7.793 -8.183 0.321 243 H GLU 48 H GLU 48 5.874 -7.205 -3.388 244 HA GLU 48 HA GLU 48 6.393 -6.376 -6.143 245 HB2 GLU 48 1HB GLU 48 5.005 -8.391 -5.740 246 HB3 GLU 48 2HB GLU 48 3.832 -7.388 -4.897 247 HG2 GLU 48 1HG GLU 48 3.256 -6.239 -6.867 248 HG3 GLU 48 2HG GLU 48 4.633 -6.900 -7.746 249 H LEU 49 H LEU 49 6.642 -4.227 -6.158 250 HA LEU 49 HA LEU 49 4.801 -2.500 -4.705 251 HB2 LEU 49 1HB LEU 49 7.365 -2.191 -4.950 252 HB3 LEU 49 2HB LEU 49 7.000 -1.614 -6.560 253 HG LEU 49 HG LEU 49 7.363 0.207 -4.931 254 HD11 LEU 49 1HD1 LEU 49 5.973 0.623 -6.883 255 HD12 LEU 49 2HD1 LEU 49 5.410 1.540 -5.486 256 HD13 LEU 49 3HD1 LEU 49 4.550 0.086 -5.988 257 HD21 LEU 49 1HD2 LEU 49 5.768 0.659 -3.188 258 HD22 LEU 49 2HD2 LEU 49 6.446 -0.955 -2.966 259 HD23 LEU 49 3HD2 LEU 49 4.827 -0.762 -3.638 260 H ILE 50 H ILE 50 2.999 -1.789 -5.616 261 HA ILE 50 HA ILE 50 2.867 -1.626 -8.558 262 HB ILE 50 HB ILE 50 0.687 -2.370 -6.610 263 HG12 ILE 50 1HG1 ILE 50 2.226 -4.204 -7.131 264 HG13 ILE 50 2HG1 ILE 50 0.633 -4.502 -7.817 265 HG21 ILE 50 1HG2 ILE 50 0.501 -1.936 -9.583 266 HG22 ILE 50 2HG2 ILE 50 -0.243 -0.950 -8.322 267 HG23 ILE 50 3HG2 ILE 50 -0.774 -2.615 -8.568 268 HD11 ILE 50 1HD1 ILE 50 2.357 -5.146 -9.375 269 HD12 ILE 50 2HD1 ILE 50 3.065 -3.532 -9.303 270 HD13 ILE 50 3HD1 ILE 50 1.464 -3.764 -10.007 271 H THR 51 H THR 51 2.743 0.407 -9.228 272 HA THR 51 HA THR 51 1.769 2.476 -7.411 273 HB THR 51 HB THR 51 2.575 3.954 -9.415 274 HG1 THR 51 HG1 THR 51 2.865 2.100 -10.813 275 HG21 THR 51 1HG2 THR 51 4.914 3.846 -8.566 276 HG22 THR 51 2HG2 THR 51 4.461 2.426 -7.622 277 HG23 THR 51 3HG2 THR 51 3.705 3.983 -7.294 278 H VAL 52 H VAL 52 -0.475 2.383 -7.491 279 HA VAL 52 HA VAL 52 -1.602 3.314 -10.047 280 HB VAL 52 HB VAL 52 -2.872 1.234 -8.239 281 HG11 VAL 52 1HG1 VAL 52 -4.531 2.750 -9.197 282 HG12 VAL 52 2HG1 VAL 52 -4.671 1.123 -9.860 283 HG13 VAL 52 3HG1 VAL 52 -3.917 2.401 -10.814 284 HG21 VAL 52 1HG2 VAL 52 -1.889 0.960 -11.076 285 HG22 VAL 52 2HG2 VAL 52 -2.639 -0.301 -10.098 286 HG23 VAL 52 3HG2 VAL 52 -1.061 0.345 -9.647 287 HA PRO 53 HA PRO 53 -3.402 6.010 -6.839 288 HB2 PRO 53 1HB PRO 53 -2.302 8.343 -7.559 289 HB3 PRO 53 2HB PRO 53 -1.466 7.212 -6.492 290 HG2 PRO 53 1HG PRO 53 -0.976 7.827 -9.347 291 HG3 PRO 53 2HG PRO 53 0.163 7.297 -8.100 292 HD2 PRO 53 1HD PRO 53 -1.081 5.696 -10.088 293 HD3 PRO 53 2HD PRO 53 -0.084 5.138 -8.732 294 H GLY 54 H GLY 54 -5.452 5.687 -8.009 295 HA2 GLY 54 1HA GLY 54 -5.896 8.170 -9.558 296 HA3 GLY 54 2HA GLY 54 -6.804 6.699 -9.884 297 H SER 55 H SER 55 -7.624 5.765 -7.625 298 HA SER 55 HA SER 55 -8.639 7.967 -5.962 299 HB2 SER 55 1HB SER 55 -9.909 5.236 -6.251 300 HB3 SER 55 2HB SER 55 -10.580 6.648 -5.441 301 HG SER 55 HG SER 55 -10.487 7.670 -7.587 302 HA PRO 56 HA PRO 56 -6.502 5.924 -2.549 303 HB2 PRO 56 1HB PRO 56 -8.423 6.086 -0.573 304 HB3 PRO 56 2HB PRO 56 -7.288 7.378 -0.973 305 HG2 PRO 56 1HG PRO 56 -10.143 7.049 -1.771 306 HG3 PRO 56 2HG PRO 56 -9.253 8.522 -1.343 307 HD2 PRO 56 1HD PRO 56 -9.827 7.873 -3.901 308 HD3 PRO 56 2HD PRO 56 -8.346 8.741 -3.452 309 H GLU 57 H GLU 57 -9.947 5.157 -2.949 310 HA GLU 57 HA GLU 57 -9.727 2.539 -1.836 311 HB2 GLU 57 1HB GLU 57 -11.822 3.764 -1.711 312 HB3 GLU 57 2HB GLU 57 -11.925 3.828 -3.463 313 HG2 GLU 57 1HG GLU 57 -12.203 1.430 -3.569 314 HG3 GLU 57 2HG GLU 57 -11.994 1.305 -1.824 315 H GLU 58 H GLU 58 -9.064 3.845 -4.920 316 HA GLU 58 HA GLU 58 -9.714 1.672 -6.581 317 HB2 GLU 58 1HB GLU 58 -9.199 3.891 -7.467 318 HB3 GLU 58 2HB GLU 58 -7.542 3.752 -6.902 319 HG2 GLU 58 1HG GLU 58 -7.068 2.036 -8.473 320 HG3 GLU 58 2HG GLU 58 -8.770 1.889 -8.913 321 H ALA 59 H ALA 59 -6.583 2.589 -5.144 322 HA ALA 59 HA ALA 59 -5.202 0.259 -5.813 323 HB1 ALA 59 1HB ALA 59 -4.810 2.039 -3.413 324 HB2 ALA 59 2HB ALA 59 -4.081 2.260 -5.003 325 HB3 ALA 59 3HB ALA 59 -3.650 0.860 -4.021 326 H ILE 60 H ILE 60 -7.373 0.978 -3.134 327 HA ILE 60 HA ILE 60 -6.894 -1.312 -1.571 328 HB ILE 60 HB ILE 60 -9.559 0.076 -1.917 329 HG12 ILE 60 1HG1 ILE 60 -7.736 1.662 -1.296 330 HG13 ILE 60 2HG1 ILE 60 -8.967 1.495 -0.049 331 HG21 ILE 60 1HG2 ILE 60 -9.930 -0.749 0.407 332 HG22 ILE 60 2HG2 ILE 60 -8.440 -1.679 0.259 333 HG23 ILE 60 3HG2 ILE 60 -9.803 -2.022 -0.805 334 HD11 ILE 60 1HD1 ILE 60 -6.756 1.569 0.917 335 HD12 ILE 60 2HD1 ILE 60 -6.267 0.187 -0.059 336 HD13 ILE 60 3HD1 ILE 60 -7.494 -0.009 1.188 337 H ARG 61 H ARG 61 -9.173 -0.709 -4.215 338 HA ARG 61 HA ARG 61 -10.385 -3.264 -4.138 339 HB2 ARG 61 1HB ARG 61 -10.258 -1.150 -6.284 340 HB3 ARG 61 2HB ARG 61 -11.180 -2.637 -6.459 341 HG2 ARG 61 1HG ARG 61 -12.556 -2.060 -4.567 342 HG3 ARG 61 2HG ARG 61 -11.582 -0.622 -4.258 343 HD2 ARG 61 1HD ARG 61 -13.666 -0.061 -5.406 344 HD3 ARG 61 2HD ARG 61 -12.260 0.319 -6.398 345 HE ARG 61 HE ARG 61 -13.013 -2.207 -7.159 346 HH11 ARG 61 1HH1 ARG 61 -14.551 0.934 -7.068 347 HH12 ARG 61 2HH1 ARG 61 -15.577 0.614 -8.428 348 HH21 ARG 61 1HH2 ARG 61 -14.356 -2.636 -8.940 349 HH22 ARG 61 2HH2 ARG 61 -15.475 -1.426 -9.490 350 H LEU 62 H LEU 62 -7.694 -1.938 -6.024 351 HA LEU 62 HA LEU 62 -7.279 -4.303 -7.543 352 HB2 LEU 62 1HB LEU 62 -6.413 -2.079 -8.200 353 HB3 LEU 62 2HB LEU 62 -5.292 -2.139 -6.853 354 HG LEU 62 HG LEU 62 -4.189 -4.100 -7.857 355 HD11 LEU 62 1HD1 LEU 62 -6.078 -5.036 -9.065 356 HD12 LEU 62 2HD1 LEU 62 -4.726 -4.743 -10.159 357 HD13 LEU 62 3HD1 LEU 62 -6.102 -3.639 -10.142 358 HD21 LEU 62 1HD2 LEU 62 -3.149 -2.930 -9.740 359 HD22 LEU 62 2HD2 LEU 62 -3.335 -1.875 -8.338 360 HD23 LEU 62 3HD2 LEU 62 -4.442 -1.730 -9.703 361 H ALA 63 H ALA 63 -6.128 -3.181 -4.420 362 HA ALA 63 HA ALA 63 -4.240 -5.192 -3.902 363 HB1 ALA 63 1HB ALA 63 -4.524 -3.199 -2.488 364 HB2 ALA 63 2HB ALA 63 -4.584 -4.689 -1.546 365 HB3 ALA 63 3HB ALA 63 -6.074 -3.828 -1.931 366 H GLN 64 H GLN 64 -7.733 -5.063 -3.381 367 HA GLN 64 HA GLN 64 -8.101 -7.597 -2.257 368 HB2 GLN 64 1HB GLN 64 -9.947 -6.043 -4.088 369 HB3 GLN 64 2HB GLN 64 -10.422 -7.424 -3.110 370 HG2 GLN 64 1HG GLN 64 -9.906 -6.184 -1.084 371 HG3 GLN 64 2HG GLN 64 -9.392 -4.804 -2.054 372 HE21 GLN 64 1HE2 GLN 64 -10.929 -3.431 -1.193 373 HE22 GLN 64 2HE2 GLN 64 -12.616 -3.582 -1.538 374 H GLU 65 H GLU 65 -7.968 -6.538 -5.617 375 HA GLU 65 HA GLU 65 -8.533 -8.956 -6.890 376 HB2 GLU 65 1HB GLU 65 -6.701 -6.712 -7.754 377 HB3 GLU 65 2HB GLU 65 -7.238 -8.015 -8.800 378 HG2 GLU 65 1HG GLU 65 -9.055 -6.037 -7.449 379 HG3 GLU 65 2HG GLU 65 -8.487 -5.918 -9.114 380 H ILE 66 H ILE 66 -5.344 -7.545 -6.097 381 HA ILE 66 HA ILE 66 -3.846 -9.716 -7.060 382 HB ILE 66 HB ILE 66 -3.081 -7.752 -4.892 383 HG12 ILE 66 1HG1 ILE 66 -2.607 -7.652 -7.882 384 HG13 ILE 66 2HG1 ILE 66 -3.784 -6.674 -7.008 385 HG21 ILE 66 1HG2 ILE 66 -1.389 -9.527 -6.650 386 HG22 ILE 66 2HG2 ILE 66 -1.604 -9.667 -4.905 387 HG23 ILE 66 3HG2 ILE 66 -0.766 -8.270 -5.582 388 HD11 ILE 66 1HD1 ILE 66 -0.795 -6.577 -6.675 389 HD12 ILE 66 2HD1 ILE 66 -1.962 -5.613 -5.770 390 HD13 ILE 66 3HD1 ILE 66 -1.799 -5.391 -7.512 391 H ALA 67 H ALA 67 -5.199 -9.044 -3.872 392 HA ALA 67 HA ALA 67 -3.823 -11.063 -2.474 393 HB1 ALA 67 1HB ALA 67 -6.502 -9.875 -1.792 394 HB2 ALA 67 2HB ALA 67 -4.943 -9.147 -1.407 395 HB3 ALA 67 3HB ALA 67 -5.393 -10.695 -0.693 396 H GLU 68 H GLU 68 -6.935 -11.107 -4.178 397 HA GLU 68 HA GLU 68 -7.518 -13.767 -3.213 398 HB2 GLU 68 1HB GLU 68 -9.530 -13.644 -4.595 399 HB3 GLU 68 2HB GLU 68 -9.359 -12.210 -3.593 400 HG2 GLU 68 1HG GLU 68 -8.712 -10.885 -5.433 401 HG3 GLU 68 2HG GLU 68 -8.476 -12.300 -6.459 402 H LYS 69 H LYS 69 -6.008 -12.367 -6.013 403 HA LYS 69 HA LYS 69 -6.358 -14.770 -7.596 404 HB2 LYS 69 1HB LYS 69 -4.828 -12.232 -8.192 405 HB3 LYS 69 2HB LYS 69 -5.073 -13.552 -9.327 406 HG2 LYS 69 1HG LYS 69 -7.229 -11.837 -8.108 407 HG3 LYS 69 2HG LYS 69 -6.618 -11.732 -9.758 408 HD2 LYS 69 1HD LYS 69 -7.435 -13.968 -10.233 409 HD3 LYS 69 2HD LYS 69 -7.968 -14.151 -8.562 410 HE2 LYS 69 1HE LYS 69 -9.842 -13.608 -10.020 411 HE3 LYS 69 2HE LYS 69 -9.551 -12.318 -8.856 412 HZ1 LYS 69 1HZ LYS 69 -8.478 -11.031 -10.544 413 HZ2 LYS 69 2HZ LYS 69 -9.987 -11.518 -11.127 414 HZ3 LYS 69 3HZ LYS 69 -8.585 -12.294 -11.661 415 H ALA 70 H ALA 70 -3.941 -13.382 -5.537 416 HA ALA 70 HA ALA 70 -1.760 -14.952 -6.515 417 HB1 ALA 70 1HB ALA 70 -1.432 -12.842 -5.284 418 HB2 ALA 70 2HB ALA 70 -0.560 -14.197 -4.567 419 HB3 ALA 70 3HB ALA 70 -2.055 -13.626 -3.833 420 HA PRO 71 HA PRO 71 -2.987 -18.755 -4.430 421 HB2 PRO 71 1HB PRO 71 -0.303 -19.606 -5.325 422 HB3 PRO 71 2HB PRO 71 -1.878 -20.339 -5.644 423 HG2 PRO 71 1HG PRO 71 -0.558 -19.046 -7.568 424 HG3 PRO 71 2HG PRO 71 -2.321 -18.926 -7.427 425 HD2 PRO 71 1HD PRO 71 -0.218 -16.974 -6.546 426 HD3 PRO 71 2HD PRO 71 -1.753 -16.672 -7.392 427 H GLY 72 H GLY 72 -2.866 -18.325 -2.284 428 HA2 GLY 72 1HA GLY 72 -1.569 -19.378 -0.432 429 HA3 GLY 72 2HA GLY 72 -0.180 -18.509 -1.069 430 HA PRO 73 HA PRO 73 -2.328 -15.978 2.295 431 HB2 PRO 73 1HB PRO 73 0.398 -15.970 3.426 432 HB3 PRO 73 2HB PRO 73 -1.146 -16.285 4.222 433 HG2 PRO 73 1HG PRO 73 0.604 -18.256 3.744 434 HG3 PRO 73 2HG PRO 73 -1.146 -18.520 3.628 435 HD2 PRO 73 1HD PRO 73 0.856 -18.095 1.440 436 HD3 PRO 73 2HD PRO 73 -0.507 -19.233 1.513 437 H VAL 74 H VAL 74 -2.494 -13.916 1.743 438 HA VAL 74 HA VAL 74 -0.131 -12.564 0.616 439 HB VAL 74 HB VAL 74 -3.005 -11.885 -0.012 440 HG11 VAL 74 1HG1 VAL 74 -0.401 -11.061 -1.288 441 HG12 VAL 74 2HG1 VAL 74 -1.471 -10.040 -0.328 442 HG13 VAL 74 3HG1 VAL 74 -2.002 -10.648 -1.896 443 HG21 VAL 74 1HG2 VAL 74 -1.090 -13.471 -1.715 444 HG22 VAL 74 2HG2 VAL 74 -2.747 -13.019 -2.122 445 HG23 VAL 74 3HG2 VAL 74 -2.439 -14.152 -0.807 446 H LYS 75 H LYS 75 0.525 -10.770 1.583 447 HA LYS 75 HA LYS 75 -1.374 -9.328 3.303 448 HB2 LYS 75 1HB LYS 75 0.247 -10.466 4.734 449 HB3 LYS 75 2HB LYS 75 1.575 -9.778 3.812 450 HG2 LYS 75 1HG LYS 75 1.106 -7.589 4.602 451 HG3 LYS 75 2HG LYS 75 -0.426 -8.106 5.307 452 HD2 LYS 75 1HD LYS 75 1.312 -7.817 7.014 453 HD3 LYS 75 2HD LYS 75 0.759 -9.487 6.919 454 HE2 LYS 75 1HE LYS 75 2.725 -10.059 5.582 455 HE3 LYS 75 2HE LYS 75 3.275 -8.386 5.673 456 HZ1 LYS 75 1HZ LYS 75 4.364 -9.849 7.296 457 HZ2 LYS 75 2HZ LYS 75 2.870 -10.160 8.018 458 HZ3 LYS 75 3HZ LYS 75 3.512 -8.593 8.038 459 H VAL 76 H VAL 76 -1.884 -7.628 2.107 460 HA VAL 76 HA VAL 76 0.252 -6.306 0.598 461 HB VAL 76 HB VAL 76 -1.389 -7.106 -0.925 462 HG11 VAL 76 1HG1 VAL 76 -3.452 -5.760 0.802 463 HG12 VAL 76 2HG1 VAL 76 -3.239 -7.495 0.565 464 HG13 VAL 76 3HG1 VAL 76 -3.767 -6.481 -0.775 465 HG21 VAL 76 1HG2 VAL 76 -1.846 -4.163 -0.466 466 HG22 VAL 76 2HG2 VAL 76 -2.219 -5.043 -1.949 467 HG23 VAL 76 3HG2 VAL 76 -0.546 -4.882 -1.415 468 H LEU 77 H LEU 77 0.796 -4.319 1.040 469 HA LEU 77 HA LEU 77 -0.723 -2.860 3.088 470 HB2 LEU 77 1HB LEU 77 1.843 -3.498 3.169 471 HB3 LEU 77 2HB LEU 77 2.013 -2.088 2.148 472 HG LEU 77 HG LEU 77 0.818 -2.090 4.924 473 HD11 LEU 77 1HD1 LEU 77 2.866 -0.938 5.569 474 HD12 LEU 77 2HD1 LEU 77 3.493 -1.128 3.932 475 HD13 LEU 77 3HD1 LEU 77 3.205 -2.549 4.937 476 HD21 LEU 77 1HD2 LEU 77 -0.117 -0.329 3.514 477 HD22 LEU 77 2HD2 LEU 77 1.510 0.206 3.096 478 HD23 LEU 77 3HD2 LEU 77 0.938 0.338 4.758 479 H VAL 78 H VAL 78 -1.874 -1.144 2.465 480 HA VAL 78 HA VAL 78 -1.317 0.016 -0.170 481 HB VAL 78 HB VAL 78 -3.758 0.359 1.582 482 HG11 VAL 78 1HG1 VAL 78 -3.227 1.292 -1.243 483 HG12 VAL 78 2HG1 VAL 78 -3.314 2.325 0.184 484 HG13 VAL 78 3HG1 VAL 78 -4.748 1.460 -0.365 485 HG21 VAL 78 1HG2 VAL 78 -3.374 -1.213 -0.967 486 HG22 VAL 78 2HG2 VAL 78 -4.879 -1.045 -0.068 487 HG23 VAL 78 3HG2 VAL 78 -3.517 -1.901 0.649 488 H LEU 79 H LEU 79 -0.179 1.755 -0.246 489 HA LEU 79 HA LEU 79 0.269 3.302 2.211 490 HB2 LEU 79 1HB LEU 79 2.079 2.072 0.750 491 HB3 LEU 79 2HB LEU 79 1.928 3.482 -0.276 492 HG LEU 79 HG LEU 79 2.581 4.918 1.619 493 HD11 LEU 79 1HD1 LEU 79 2.939 2.288 3.050 494 HD12 LEU 79 2HD1 LEU 79 1.797 3.567 3.465 495 HD13 LEU 79 3HD1 LEU 79 3.530 3.843 3.630 496 HD21 LEU 79 1HD2 LEU 79 4.927 4.244 1.680 497 HD22 LEU 79 2HD2 LEU 79 4.268 4.111 0.051 498 HD23 LEU 79 3HD2 LEU 79 4.493 2.663 1.031 499 H ILE 80 H ILE 80 -0.777 5.210 2.323 500 HA ILE 80 HA ILE 80 -1.403 6.578 -0.221 501 HB ILE 80 HB ILE 80 -2.949 6.796 2.371 502 HG12 ILE 80 1HG1 ILE 80 -3.665 5.334 -0.183 503 HG13 ILE 80 2HG1 ILE 80 -3.170 4.563 1.320 504 HG21 ILE 80 1HG2 ILE 80 -3.515 7.865 -0.396 505 HG22 ILE 80 2HG2 ILE 80 -3.078 8.813 1.025 506 HG23 ILE 80 3HG2 ILE 80 -4.620 7.957 0.976 507 HD11 ILE 80 1HD1 ILE 80 -5.648 6.226 0.919 508 HD12 ILE 80 2HD1 ILE 80 -5.151 5.459 2.427 509 HD13 ILE 80 3HD1 ILE 80 -5.574 4.467 1.032 510 H THR 81 H THR 81 -0.089 8.258 -0.504 511 HA THR 81 HA THR 81 0.935 9.650 1.880 512 HB THR 81 HB THR 81 2.112 9.638 -0.905 513 HG1 THR 81 HG1 THR 81 2.051 7.649 0.726 514 HG21 THR 81 1HG2 THR 81 2.741 11.585 0.450 515 HG22 THR 81 2HG2 THR 81 4.117 10.509 0.202 516 HG23 THR 81 3HG2 THR 81 3.267 10.512 1.747 517 H GLY 82 H GLY 82 0.413 11.727 2.216 518 HA2 GLY 82 1HA GLY 82 0.389 13.959 1.114 519 HA3 GLY 82 2HA GLY 82 -0.705 13.246 -0.061 520 H SER 83 H SER 83 -1.739 15.366 0.834 521 HA SER 83 HA SER 83 -3.159 15.055 3.321 522 HB2 SER 83 1HB SER 83 -2.379 17.274 2.525 523 HB3 SER 83 2HB SER 83 -3.473 17.147 1.150 524 HG SER 83 HG SER 83 -4.141 17.315 3.900 525 H ALA 84 H ALA 84 -4.598 13.418 3.241 526 HA ALA 84 HA ALA 84 -6.169 12.751 0.983 527 HB1 ALA 84 1HB ALA 84 -6.605 12.050 3.885 528 HB2 ALA 84 2HB ALA 84 -5.627 11.135 2.739 529 HB3 ALA 84 3HB ALA 84 -7.370 11.266 2.502 530 H ASP 85 H ASP 85 -8.039 13.531 0.280 531 HA ASP 85 HA ASP 85 -9.238 15.805 1.564 532 HB2 ASP 85 1HB ASP 85 -10.036 14.186 -0.862 533 HB3 ASP 85 2HB ASP 85 -10.942 15.582 -0.299 534 HA PRO 86 HA PRO 86 -12.361 14.251 4.221 535 HB2 PRO 86 1HB PRO 86 -14.392 15.295 2.285 536 HB3 PRO 86 2HB PRO 86 -14.314 15.486 4.041 537 HG2 PRO 86 1HG PRO 86 -13.568 17.470 2.443 538 HG3 PRO 86 2HG PRO 86 -12.657 17.109 3.922 539 HD2 PRO 86 1HD PRO 86 -11.954 16.570 1.086 540 HD3 PRO 86 2HD PRO 86 -10.895 16.922 2.465 541 H ASP 87 H ASP 87 -13.408 13.837 0.831 542 HA ASP 87 HA ASP 87 -14.970 11.535 1.400 543 HB2 ASP 87 1HB ASP 87 -13.890 12.467 -1.266 544 HB3 ASP 87 2HB ASP 87 -15.156 11.269 -1.031 545 H GLU 88 H GLU 88 -11.667 12.031 0.326 546 HA GLU 88 HA GLU 88 -11.091 9.385 -0.421 547 HB2 GLU 88 1HB GLU 88 -9.236 11.490 0.706 548 HB3 GLU 88 2HB GLU 88 -8.718 9.999 -0.064 549 HG2 GLU 88 1HG GLU 88 -9.897 10.742 -2.128 550 HG3 GLU 88 2HG GLU 88 -10.189 12.288 -1.336 551 H LYS 89 H LYS 89 -10.888 11.064 2.670 552 HA LYS 89 HA LYS 89 -9.727 8.991 4.169 553 HB2 LYS 89 1HB LYS 89 -11.654 11.147 5.050 554 HB3 LYS 89 2HB LYS 89 -10.709 10.137 6.136 555 HG2 LYS 89 1HG LYS 89 -8.649 11.058 5.201 556 HG3 LYS 89 2HG LYS 89 -9.602 12.074 4.116 557 HD2 LYS 89 1HD LYS 89 -10.621 13.177 6.047 558 HD3 LYS 89 2HD LYS 89 -9.669 12.161 7.131 559 HE2 LYS 89 1HE LYS 89 -7.613 13.103 6.202 560 HE3 LYS 89 2HE LYS 89 -8.565 14.115 5.119 561 HZ1 LYS 89 1HZ LYS 89 -9.522 15.213 7.042 562 HZ2 LYS 89 2HZ LYS 89 -7.835 15.339 7.065 563 HZ3 LYS 89 3HZ LYS 89 -8.615 14.238 8.083 564 H THR 90 H THR 90 -13.124 9.820 3.578 565 HA THR 90 HA THR 90 -14.252 7.766 5.127 566 HB THR 90 HB THR 90 -15.432 9.042 2.651 567 HG1 THR 90 HG1 THR 90 -15.771 10.766 3.848 568 HG21 THR 90 1HG2 THR 90 -16.647 7.056 3.437 569 HG22 THR 90 2HG2 THR 90 -17.583 8.527 3.700 570 HG23 THR 90 3HG2 THR 90 -16.748 7.760 5.051 571 H LYS 91 H LYS 91 -13.424 7.915 1.677 572 HA LYS 91 HA LYS 91 -14.349 5.368 0.951 573 HB2 LYS 91 1HB LYS 91 -12.113 7.048 -0.188 574 HB3 LYS 91 2HB LYS 91 -12.703 5.573 -0.938 575 HG2 LYS 91 1HG LYS 91 -14.867 6.551 -1.290 576 HG3 LYS 91 2HG LYS 91 -14.404 7.993 -0.384 577 HD2 LYS 91 1HD LYS 91 -12.731 8.539 -2.056 578 HD3 LYS 91 2HD LYS 91 -13.100 7.058 -2.939 579 HE2 LYS 91 1HE LYS 91 -15.023 9.328 -2.444 580 HE3 LYS 91 2HE LYS 91 -14.152 9.039 -3.948 581 HZ1 LYS 91 1HZ LYS 91 -16.385 8.180 -4.087 582 HZ2 LYS 91 2HZ LYS 91 -16.152 7.228 -2.710 583 HZ3 LYS 91 3HZ LYS 91 -15.284 6.895 -4.123 584 H ALA 92 H ALA 92 -11.175 6.436 2.121 585 HA ALA 92 HA ALA 92 -9.934 3.898 1.786 586 HB1 ALA 92 1HB ALA 92 -8.079 4.857 3.047 587 HB2 ALA 92 2HB ALA 92 -9.087 6.230 3.504 588 HB3 ALA 92 3HB ALA 92 -8.647 5.983 1.814 589 H LYS 93 H LYS 93 -11.383 5.610 4.513 590 HA LYS 93 HA LYS 93 -10.751 3.781 6.521 591 HB2 LYS 93 1HB LYS 93 -11.612 5.978 7.050 592 HB3 LYS 93 2HB LYS 93 -13.126 5.621 6.232 593 HG2 LYS 93 1HG LYS 93 -13.640 3.926 7.915 594 HG3 LYS 93 2HG LYS 93 -12.120 4.284 8.737 595 HD2 LYS 93 1HD LYS 93 -14.005 5.408 9.820 596 HD3 LYS 93 2HD LYS 93 -12.867 6.573 9.143 597 HE2 LYS 93 1HE LYS 93 -14.318 6.873 7.203 598 HE3 LYS 93 2HE LYS 93 -15.445 5.682 7.849 599 HZ1 LYS 93 1HZ LYS 93 -14.731 8.241 9.173 600 HZ2 LYS 93 2HZ LYS 93 -15.880 7.120 9.710 601 HZ3 LYS 93 3HZ LYS 93 -16.139 7.974 8.275 602 H LYS 94 H LYS 94 -13.607 4.003 4.447 603 HA LYS 94 HA LYS 94 -14.964 1.774 5.517 604 HB2 LYS 94 1HB LYS 94 -16.105 3.480 4.201 605 HB3 LYS 94 2HB LYS 94 -15.145 3.062 2.790 606 HG2 LYS 94 1HG LYS 94 -16.172 0.793 2.844 607 HG3 LYS 94 2HG LYS 94 -17.226 1.359 4.141 608 HD2 LYS 94 1HD LYS 94 -18.412 1.516 2.054 609 HD3 LYS 94 2HD LYS 94 -18.050 3.144 2.625 610 HE2 LYS 94 1HE LYS 94 -17.625 3.043 0.265 611 HE3 LYS 94 2HE LYS 94 -16.085 3.186 1.108 612 HZ1 LYS 94 1HZ LYS 94 -16.000 0.657 0.925 613 HZ2 LYS 94 2HZ LYS 94 -15.734 1.550 -0.491 614 HZ3 LYS 94 3HZ LYS 94 -17.235 0.815 -0.224 615 H ALA 95 H ALA 95 -13.038 2.133 2.552 616 HA ALA 95 HA ALA 95 -13.344 -0.516 1.681 617 HB1 ALA 95 1HB ALA 95 -12.656 1.430 0.287 618 HB2 ALA 95 2HB ALA 95 -11.684 -0.019 0.053 619 HB3 ALA 95 3HB ALA 95 -11.055 1.317 1.017 620 H ALA 96 H ALA 96 -11.017 0.958 3.847 621 HA ALA 96 HA ALA 96 -9.031 -0.994 3.851 622 HB1 ALA 96 1HB ALA 96 -9.962 0.669 6.188 623 HB2 ALA 96 2HB ALA 96 -8.789 1.168 4.970 624 HB3 ALA 96 3HB ALA 96 -8.415 -0.169 6.057 625 H GLU 97 H GLU 97 -11.903 -0.739 5.948 626 HA GLU 97 HA GLU 97 -11.385 -3.118 7.384 627 HB2 GLU 97 1HB GLU 97 -12.907 -1.335 8.174 628 HB3 GLU 97 2HB GLU 97 -14.041 -1.756 6.897 629 HG2 GLU 97 1HG GLU 97 -14.189 -4.038 7.877 630 HG3 GLU 97 2HG GLU 97 -13.203 -3.469 9.221 631 H GLU 98 H GLU 98 -13.290 -2.414 4.509 632 HA GLU 98 HA GLU 98 -14.548 -4.914 4.243 633 HB2 GLU 98 1HB GLU 98 -13.781 -2.985 2.046 634 HB3 GLU 98 2HB GLU 98 -15.007 -4.241 1.950 635 HG2 GLU 98 1HG GLU 98 -16.334 -3.099 3.634 636 HG3 GLU 98 2HG GLU 98 -15.094 -1.853 3.779 637 H ALA 99 H ALA 99 -11.473 -3.681 3.043 638 HA ALA 99 HA ALA 99 -10.958 -6.135 1.568 639 HB1 ALA 99 1HB ALA 99 -9.262 -3.663 1.867 640 HB2 ALA 99 2HB ALA 99 -10.417 -3.965 0.570 641 HB3 ALA 99 3HB ALA 99 -8.991 -4.988 0.735 642 H ARG 100 H ARG 100 -10.387 -4.941 4.680 643 HA ARG 100 HA ARG 100 -7.783 -5.875 5.189 644 HB2 ARG 100 1HB ARG 100 -9.172 -4.264 6.581 645 HB3 ARG 100 2HB ARG 100 -9.983 -5.676 7.241 646 HG2 ARG 100 1HG ARG 100 -7.926 -6.491 8.172 647 HG3 ARG 100 2HG ARG 100 -7.017 -5.194 7.391 648 HD2 ARG 100 1HD ARG 100 -8.294 -3.546 8.705 649 HD3 ARG 100 2HD ARG 100 -9.133 -4.868 9.516 650 HE ARG 100 HE ARG 100 -6.431 -5.330 9.869 651 HH11 ARG 100 1HH1 ARG 100 -8.714 -2.812 10.692 652 HH12 ARG 100 2HH1 ARG 100 -7.887 -2.359 12.147 653 HH21 ARG 100 1HH2 ARG 100 -5.326 -4.733 11.768 654 HH22 ARG 100 2HH2 ARG 100 -5.950 -3.452 12.759 655 H LYS 101 H LYS 101 -10.630 -7.583 4.643 656 HA LYS 101 HA LYS 101 -10.217 -9.886 6.232 657 HB2 LYS 101 1HB LYS 101 -11.497 -9.940 3.509 658 HB3 LYS 101 2HB LYS 101 -11.878 -10.922 4.914 659 HG2 LYS 101 1HG LYS 101 -12.479 -7.993 4.559 660 HG3 LYS 101 2HG LYS 101 -13.635 -9.323 4.501 661 HD2 LYS 101 1HD LYS 101 -13.154 -9.835 6.848 662 HD3 LYS 101 2HD LYS 101 -12.003 -8.500 6.902 663 HE2 LYS 101 1HE LYS 101 -13.827 -6.936 6.351 664 HE3 LYS 101 2HE LYS 101 -14.964 -8.283 6.366 665 HZ1 LYS 101 1HZ LYS 101 -14.355 -8.658 8.706 666 HZ2 LYS 101 2HZ LYS 101 -15.057 -7.143 8.449 667 HZ3 LYS 101 3HZ LYS 101 -13.386 -7.272 8.666 668 H TRP 102 H TRP 102 -8.728 -8.670 3.397 669 HA TRP 102 HA TRP 102 -7.414 -11.242 2.830 670 HB2 TRP 102 1HB TRP 102 -7.430 -8.727 1.144 671 HB3 TRP 102 2HB TRP 102 -6.844 -10.315 0.666 672 HD1 TRP 102 HD1 TRP 102 -10.051 -8.304 1.093 673 HE1 TRP 102 HE1 TRP 102 -11.984 -9.568 -0.044 674 HE3 TRP 102 HE3 TRP 102 -7.634 -12.685 0.051 675 HZ2 TRP 102 HZ2 TRP 102 -12.416 -12.097 -1.227 676 HZ3 TRP 102 HZ3 TRP 102 -8.880 -14.477 -1.085 677 HH2 TRP 102 HH2 TRP 102 -11.221 -14.186 -1.710 678 H ASN 103 H ASN 103 -6.837 -9.283 5.022 679 HA ASN 103 HA ASN 103 -5.103 -8.312 6.091 680 HB2 ASN 103 1HB ASN 103 -3.716 -10.221 4.294 681 HB3 ASN 103 2HB ASN 103 -2.731 -8.956 5.021 682 HD21 ASN 103 1HD2 ASN 103 -4.463 -11.871 5.539 683 HD22 ASN 103 2HD2 ASN 103 -4.041 -12.082 7.203 684 H VAL 104 H VAL 104 -6.326 -6.983 3.762 685 HA VAL 104 HA VAL 104 -4.233 -5.353 2.651 686 HB VAL 104 HB VAL 104 -7.225 -4.883 2.656 687 HG11 VAL 104 1HG1 VAL 104 -6.775 -3.343 0.801 688 HG12 VAL 104 2HG1 VAL 104 -5.043 -3.606 1.008 689 HG13 VAL 104 3HG1 VAL 104 -5.975 -2.826 2.287 690 HG21 VAL 104 1HG2 VAL 104 -5.443 -6.103 0.548 691 HG22 VAL 104 2HG2 VAL 104 -7.153 -5.728 0.350 692 HG23 VAL 104 3HG2 VAL 104 -6.647 -6.950 1.514 693 H ARG 105 H ARG 105 -3.156 -4.026 3.935 694 HA ARG 105 HA ARG 105 -4.624 -2.687 6.114 695 HB2 ARG 105 1HB ARG 105 -1.649 -3.198 5.970 696 HB3 ARG 105 2HB ARG 105 -2.569 -2.635 7.361 697 HG2 ARG 105 1HG ARG 105 -3.722 -4.777 7.482 698 HG3 ARG 105 2HG ARG 105 -2.833 -5.341 6.066 699 HD2 ARG 105 1HD ARG 105 -0.721 -4.953 7.353 700 HD3 ARG 105 2HD ARG 105 -1.720 -4.641 8.773 701 HE ARG 105 HE ARG 105 -2.489 -7.101 7.695 702 HH11 ARG 105 1HH1 ARG 105 0.242 -5.649 9.326 703 HH12 ARG 105 2HH1 ARG 105 0.808 -7.144 9.997 704 HH21 ARG 105 1HH2 ARG 105 -1.750 -9.086 8.575 705 HH22 ARG 105 2HH2 ARG 105 -0.330 -9.095 9.578 706 H VAL 106 H VAL 106 -4.587 -0.502 6.238 707 HA VAL 106 HA VAL 106 -3.278 0.874 3.999 708 HB VAL 106 HB VAL 106 -4.872 2.711 4.378 709 HG11 VAL 106 1HG1 VAL 106 -5.428 0.957 2.788 710 HG12 VAL 106 2HG1 VAL 106 -6.881 1.549 3.594 711 HG13 VAL 106 3HG1 VAL 106 -6.172 0.008 4.075 712 HG21 VAL 106 1HG2 VAL 106 -6.065 0.898 6.476 713 HG22 VAL 106 2HG2 VAL 106 -6.778 2.400 5.892 714 HG23 VAL 106 3HG2 VAL 106 -5.250 2.434 6.770 715 H ARG 107 H ARG 107 -1.868 2.504 4.304 716 HA ARG 107 HA ARG 107 -1.493 3.566 7.008 717 HB2 ARG 107 1HB ARG 107 0.693 2.440 5.256 718 HB3 ARG 107 2HB ARG 107 1.000 3.470 6.644 719 HG2 ARG 107 1HG ARG 107 -0.510 0.881 6.860 720 HG3 ARG 107 2HG ARG 107 1.246 0.975 6.988 721 HD2 ARG 107 1HD ARG 107 0.343 0.993 9.200 722 HD3 ARG 107 2HD ARG 107 0.957 2.606 8.851 723 HE ARG 107 HE ARG 107 -1.775 2.525 8.213 724 HH11 ARG 107 1HH1 ARG 107 0.270 2.275 11.044 725 HH12 ARG 107 2HH1 ARG 107 -0.884 3.024 12.101 726 HH21 ARG 107 1HH2 ARG 107 -3.284 3.542 9.593 727 HH22 ARG 107 2HH2 ARG 107 -2.904 3.755 11.274 728 H THR 108 H THR 108 -1.554 5.691 6.963 729 HA THR 108 HA THR 108 -1.280 7.099 4.444 730 HB THR 108 HB THR 108 -1.849 8.260 7.180 731 HG1 THR 108 HG1 THR 108 -3.356 6.564 6.134 732 HG21 THR 108 1HG2 THR 108 -2.389 9.316 4.398 733 HG22 THR 108 2HG2 THR 108 -1.138 9.898 5.495 734 HG23 THR 108 3HG2 THR 108 -2.840 10.108 5.908 735 H VAL 109 H VAL 109 0.330 8.476 3.909 736 HA VAL 109 HA VAL 109 2.631 8.620 5.748 737 HB VAL 109 HB VAL 109 2.664 8.545 2.724 738 HG11 VAL 109 1HG1 VAL 109 4.963 8.557 4.672 739 HG12 VAL 109 2HG1 VAL 109 4.464 9.919 3.670 740 HG13 VAL 109 3HG1 VAL 109 5.081 8.448 2.917 741 HG21 VAL 109 1HG2 VAL 109 3.734 6.362 2.993 742 HG22 VAL 109 2HG2 VAL 109 2.115 6.381 3.691 743 HG23 VAL 109 3HG2 VAL 109 3.529 6.479 4.740 744 H THR 110 H THR 110 3.173 10.591 6.374 745 HA THR 110 HA THR 110 2.351 12.870 4.696 746 HB THR 110 HB THR 110 2.596 14.207 6.858 747 HG1 THR 110 HG1 THR 110 3.352 11.793 7.768 748 HG21 THR 110 1HG2 THR 110 0.434 12.104 6.713 749 HG22 THR 110 2HG2 THR 110 0.428 13.649 5.863 750 HG23 THR 110 3HG2 THR 110 0.352 13.611 7.624 751 H SER 111 H SER 111 4.948 11.293 6.368 752 HA SER 111 HA SER 111 6.843 13.154 5.104 753 HB2 SER 111 1HB SER 111 6.787 13.524 7.542 754 HB3 SER 111 2HB SER 111 7.118 11.815 7.813 755 HG SER 111 HG SER 111 9.153 12.202 7.529 756 HA PRO 112 HA PRO 112 8.251 9.741 2.796 757 HB2 PRO 112 1HB PRO 112 11.008 10.730 3.275 758 HB3 PRO 112 2HB PRO 112 10.169 10.423 1.753 759 HG2 PRO 112 1HG PRO 112 10.564 12.910 2.631 760 HG3 PRO 112 2HG PRO 112 9.069 12.453 1.795 761 HD2 PRO 112 1HD PRO 112 9.558 12.924 4.698 762 HD3 PRO 112 2HD PRO 112 8.126 13.289 3.716 763 H ASP 113 H ASP 113 9.745 10.274 5.918 764 HA ASP 113 HA ASP 113 11.211 7.827 5.952 765 HB2 ASP 113 1HB ASP 113 11.541 8.264 8.345 766 HB3 ASP 113 2HB ASP 113 11.880 9.696 7.380 767 H GLU 114 H GLU 114 7.940 8.708 6.665 768 HA GLU 114 HA GLU 114 7.303 6.500 8.334 769 HB2 GLU 114 1HB GLU 114 5.481 8.150 6.579 770 HB3 GLU 114 2HB GLU 114 4.961 7.063 7.857 771 HG2 GLU 114 1HG GLU 114 6.104 8.454 9.504 772 HG3 GLU 114 2HG GLU 114 6.619 9.547 8.218 773 H ALA 115 H ALA 115 6.983 7.094 4.859 774 HA ALA 115 HA ALA 115 5.665 4.746 4.127 775 HB1 ALA 115 1HB ALA 115 5.931 6.567 2.569 776 HB2 ALA 115 2HB ALA 115 6.670 5.118 1.886 777 HB3 ALA 115 3HB ALA 115 7.683 6.378 2.589 778 H LYS 116 H LYS 116 9.127 5.443 4.255 779 HA LYS 116 HA LYS 116 10.028 2.886 3.508 780 HB2 LYS 116 1HB LYS 116 11.438 4.859 3.370 781 HB3 LYS 116 2HB LYS 116 11.353 5.081 5.110 782 HG2 LYS 116 1HG LYS 116 12.767 3.293 5.534 783 HG3 LYS 116 2HG LYS 116 12.497 2.578 3.943 784 HD2 LYS 116 1HD LYS 116 14.715 3.596 4.096 785 HD3 LYS 116 2HD LYS 116 13.713 4.413 2.898 786 HE2 LYS 116 1HE LYS 116 13.161 6.108 4.673 787 HE3 LYS 116 2HE LYS 116 14.399 5.351 5.676 788 HZ1 LYS 116 1HZ LYS 116 14.812 6.602 3.013 789 HZ2 LYS 116 2HZ LYS 116 16.015 5.814 3.912 790 HZ3 LYS 116 3HZ LYS 116 15.310 7.231 4.506 791 H ARG 117 H ARG 117 9.047 4.254 6.547 792 HA ARG 117 HA ARG 117 10.093 2.176 8.194 793 HB2 ARG 117 1HB ARG 117 9.661 4.410 9.065 794 HB3 ARG 117 2HB ARG 117 7.949 4.239 8.705 795 HG2 ARG 117 1HG ARG 117 7.760 2.465 10.354 796 HG3 ARG 117 2HG ARG 117 9.490 2.582 10.691 797 HD2 ARG 117 1HD ARG 117 7.478 4.792 11.069 798 HD3 ARG 117 2HD ARG 117 8.143 3.784 12.350 799 HE ARG 117 HE ARG 117 10.293 4.788 11.946 800 HH11 ARG 117 1HH1 ARG 117 7.579 6.401 10.401 801 HH12 ARG 117 2HH1 ARG 117 8.461 7.876 10.134 802 HH21 ARG 117 1HH2 ARG 117 11.416 6.750 11.620 803 HH22 ARG 117 2HH2 ARG 117 10.613 8.075 10.830 804 H TRP 118 H TRP 118 6.853 2.934 6.924 805 HA TRP 118 HA TRP 118 5.464 0.891 8.204 806 HB2 TRP 118 1HB TRP 118 4.923 2.143 5.505 807 HB3 TRP 118 2HB TRP 118 3.802 1.078 6.338 808 HD1 TRP 118 HD1 TRP 118 3.747 4.410 5.569 809 HE1 TRP 118 HE1 TRP 118 2.787 5.934 7.406 810 HE3 TRP 118 HE3 TRP 118 4.225 1.262 9.581 811 HZ2 TRP 118 HZ2 TRP 118 2.308 5.822 10.175 812 HZ3 TRP 118 HZ3 TRP 118 3.495 2.058 11.788 813 HH2 TRP 118 HH2 TRP 118 2.556 4.292 12.076 814 H ILE 119 H ILE 119 6.937 0.890 4.969 815 HA ILE 119 HA ILE 119 6.129 -1.646 4.172 816 HB ILE 119 HB ILE 119 8.675 -0.186 3.446 817 HG12 ILE 119 1HG1 ILE 119 6.012 -0.372 2.014 818 HG13 ILE 119 2HG1 ILE 119 6.576 1.026 2.925 819 HG21 ILE 119 1HG2 ILE 119 7.347 -2.530 2.079 820 HG22 ILE 119 2HG2 ILE 119 8.886 -2.560 2.940 821 HG23 ILE 119 3HG2 ILE 119 8.726 -1.625 1.453 822 HD11 ILE 119 1HD1 ILE 119 8.430 1.290 1.352 823 HD12 ILE 119 2HD1 ILE 119 6.863 1.358 0.543 824 HD13 ILE 119 3HD1 ILE 119 7.846 -0.103 0.440 825 H LYS 120 H LYS 120 9.080 -0.692 5.912 826 HA LYS 120 HA LYS 120 10.176 -3.312 5.947 827 HB2 LYS 120 1HB LYS 120 11.541 -1.265 6.188 828 HB3 LYS 120 2HB LYS 120 10.804 -0.975 7.759 829 HG2 LYS 120 1HG LYS 120 11.757 -3.041 8.610 830 HG3 LYS 120 2HG LYS 120 12.460 -3.382 7.029 831 HD2 LYS 120 1HD LYS 120 13.777 -1.297 7.208 832 HD3 LYS 120 2HD LYS 120 13.124 -1.055 8.831 833 HE2 LYS 120 1HE LYS 120 14.757 -3.425 7.926 834 HE3 LYS 120 2HE LYS 120 15.361 -2.069 8.878 835 HZ1 LYS 120 1HZ LYS 120 14.815 -4.003 10.247 836 HZ2 LYS 120 2HZ LYS 120 13.208 -3.928 9.735 837 HZ3 LYS 120 3HZ LYS 120 13.861 -2.667 10.653 838 H GLU 121 H GLU 121 8.273 -1.444 8.284 839 HA GLU 121 HA GLU 121 8.583 -3.278 10.419 840 HB2 GLU 121 1HB GLU 121 7.925 -0.888 10.681 841 HB3 GLU 121 2HB GLU 121 6.348 -1.285 10.010 842 HG2 GLU 121 1HG GLU 121 5.910 -2.786 11.865 843 HG3 GLU 121 2HG GLU 121 7.510 -2.461 12.527 844 H PHE 122 H PHE 122 6.129 -2.942 7.891 845 HA PHE 122 HA PHE 122 4.466 -4.998 9.013 846 HB2 PHE 122 1HB PHE 122 4.413 -3.441 6.452 847 HB3 PHE 122 2HB PHE 122 3.363 -4.838 6.672 848 HD1 PHE 122 HD1 PHE 122 4.187 -1.483 7.974 849 HD2 PHE 122 HD2 PHE 122 1.435 -4.725 8.023 850 HE1 PHE 122 HE1 PHE 122 2.565 -0.082 9.178 851 HE2 PHE 122 HE2 PHE 122 -0.193 -3.328 9.226 852 HZ PHE 122 HZ PHE 122 0.370 -1.006 9.804 853 H SER 123 H SER 123 7.049 -4.883 6.654 854 HA SER 123 HA SER 123 6.706 -7.543 5.699 855 HB2 SER 123 1HB SER 123 9.197 -5.818 5.820 856 HB3 SER 123 2HB SER 123 9.054 -7.329 4.923 857 HG SER 123 HG SER 123 7.801 -4.847 4.448 858 H GLU 124 H GLU 124 8.814 -6.098 8.170 859 HA GLU 124 HA GLU 124 9.655 -6.896 10.111 860 HB2 GLU 124 1HB GLU 124 7.237 -7.442 10.443 861 HB3 GLU 124 2HB GLU 124 7.568 -9.059 9.849 862 HG2 GLU 124 1HG GLU 124 8.984 -9.527 11.713 863 HG3 GLU 124 2HG GLU 124 8.902 -7.851 12.256 864 H GLU 125 H GLU 125 11.575 -7.385 8.922 865 HA GLU 125 HA GLU 125 12.223 -10.232 9.079 866 HB2 GLU 125 1HB GLU 125 11.782 -9.788 6.706 867 HB3 GLU 125 2HB GLU 125 12.923 -8.451 6.732 868 HG2 GLU 125 1HG GLU 125 14.709 -10.089 7.335 869 HG3 GLU 125 2HG GLU 125 13.531 -11.375 7.075 Start of MODEL 15 1 HA MET 21 HA MET 21 4.615 -15.756 0.172 2 HB2 MET 21 1HB MET 21 7.054 -15.957 0.341 3 HB3 MET 21 2HB MET 21 7.248 -14.941 -1.082 4 HG2 MET 21 1HG MET 21 6.131 -13.098 0.165 5 HG3 MET 21 2HG MET 21 6.144 -14.125 1.597 6 HE1 MET 21 1HE MET 21 8.945 -13.785 -1.197 7 HE2 MET 21 2HE MET 21 9.926 -12.500 -0.497 8 HE3 MET 21 3HE MET 21 8.276 -12.165 -1.018 9 H ARG 22 H ARG 22 3.026 -14.342 -0.199 10 HA ARG 22 HA ARG 22 3.357 -12.508 -2.477 11 HB2 ARG 22 1HB ARG 22 0.781 -13.567 -1.296 12 HB3 ARG 22 2HB ARG 22 0.896 -12.408 -2.614 13 HG2 ARG 22 1HG ARG 22 1.939 -15.233 -2.688 14 HG3 ARG 22 2HG ARG 22 0.423 -14.682 -3.399 15 HD2 ARG 22 1HD ARG 22 1.598 -13.249 -4.929 16 HD3 ARG 22 2HD ARG 22 3.134 -13.595 -4.138 17 HE ARG 22 HE ARG 22 2.262 -16.044 -4.916 18 HH11 ARG 22 1HH1 ARG 22 2.747 -13.007 -6.595 19 HH12 ARG 22 2HH1 ARG 22 3.149 -13.762 -8.102 20 HH21 ARG 22 1HH2 ARG 22 2.794 -17.036 -6.895 21 HH22 ARG 22 2HH2 ARG 22 3.175 -16.055 -8.275 22 H LEU 23 H LEU 23 4.429 -10.983 -1.227 23 HA LEU 23 HA LEU 23 2.701 -9.538 0.668 24 HB2 LEU 23 1HB LEU 23 5.710 -9.514 0.407 25 HB3 LEU 23 2HB LEU 23 4.794 -8.500 1.506 26 HG LEU 23 HG LEU 23 4.904 -11.516 1.604 27 HD11 LEU 23 1HD1 LEU 23 6.179 -9.445 3.388 28 HD12 LEU 23 2HD1 LEU 23 7.023 -10.480 2.236 29 HD13 LEU 23 3HD1 LEU 23 6.216 -11.191 3.632 30 HD21 LEU 23 1HD2 LEU 23 3.756 -11.244 3.754 31 HD22 LEU 23 2HD2 LEU 23 2.781 -10.652 2.411 32 HD23 LEU 23 3HD2 LEU 23 3.624 -9.511 3.459 33 H VAL 24 H VAL 24 1.821 -7.781 -0.149 34 HA VAL 24 HA VAL 24 3.029 -6.654 -2.592 35 HB VAL 24 HB VAL 24 0.087 -6.942 -1.937 36 HG11 VAL 24 1HG1 VAL 24 0.554 -5.015 -3.368 37 HG12 VAL 24 2HG1 VAL 24 -0.275 -6.282 -4.273 38 HG13 VAL 24 3HG1 VAL 24 1.461 -6.044 -4.478 39 HG21 VAL 24 1HG2 VAL 24 1.834 -8.516 -3.836 40 HG22 VAL 24 2HG2 VAL 24 0.082 -8.654 -3.710 41 HG23 VAL 24 3HG2 VAL 24 1.100 -9.109 -2.346 42 H VAL 25 H VAL 25 2.947 -4.447 -2.902 43 HA VAL 25 HA VAL 25 1.856 -2.836 -0.688 44 HB VAL 25 HB VAL 25 4.388 -2.209 -2.224 45 HG11 VAL 25 1HG1 VAL 25 3.116 -0.843 0.147 46 HG12 VAL 25 2HG1 VAL 25 3.196 -0.218 -1.499 47 HG13 VAL 25 3HG1 VAL 25 4.675 -0.426 -0.563 48 HG21 VAL 25 1HG2 VAL 25 4.064 -3.194 0.612 49 HG22 VAL 25 2HG2 VAL 25 5.577 -2.671 -0.129 50 HG23 VAL 25 3HG2 VAL 25 4.746 -4.104 -0.736 51 H LEU 26 H LEU 26 0.348 -1.493 -1.349 52 HA LEU 26 HA LEU 26 0.286 -0.650 -4.168 53 HB2 LEU 26 1HB LEU 26 -1.801 -1.230 -2.152 54 HB3 LEU 26 2HB LEU 26 -2.104 0.163 -3.165 55 HG LEU 26 HG LEU 26 -3.218 -1.747 -4.099 56 HD11 LEU 26 1HD1 LEU 26 -2.273 -0.149 -5.668 57 HD12 LEU 26 2HD1 LEU 26 -2.275 -1.782 -6.334 58 HD13 LEU 26 3HD1 LEU 26 -0.778 -1.080 -5.728 59 HD21 LEU 26 1HD2 LEU 26 -2.073 -3.741 -4.831 60 HD22 LEU 26 2HD2 LEU 26 -1.818 -3.501 -3.102 61 HD23 LEU 26 3HD2 LEU 26 -0.534 -3.106 -4.245 62 H ILE 27 H ILE 27 1.184 1.282 -4.461 63 HA ILE 27 HA ILE 27 0.886 3.293 -2.326 64 HB ILE 27 HB ILE 27 3.187 2.719 -2.461 65 HG12 ILE 27 1HG1 ILE 27 4.290 4.767 -3.238 66 HG13 ILE 27 2HG1 ILE 27 2.821 5.257 -4.073 67 HG21 ILE 27 1HG2 ILE 27 4.476 2.757 -4.545 68 HG22 ILE 27 2HG2 ILE 27 2.995 3.089 -5.442 69 HG23 ILE 27 3HG2 ILE 27 3.180 1.561 -4.579 70 HD11 ILE 27 1HD1 ILE 27 3.230 4.983 -1.106 71 HD12 ILE 27 2HD1 ILE 27 1.686 5.354 -1.876 72 HD13 ILE 27 3HD1 ILE 27 3.040 6.475 -2.025 73 H VAL 28 H VAL 28 0.101 5.249 -2.828 74 HA VAL 28 HA VAL 28 -1.060 5.585 -5.471 75 HB VAL 28 HB VAL 28 -2.247 7.494 -4.503 76 HG11 VAL 28 1HG1 VAL 28 -3.240 5.310 -4.225 77 HG12 VAL 28 2HG1 VAL 28 -3.560 6.303 -2.802 78 HG13 VAL 28 3HG1 VAL 28 -2.317 5.052 -2.744 79 HG21 VAL 28 1HG2 VAL 28 -2.014 8.061 -2.132 80 HG22 VAL 28 2HG2 VAL 28 -0.513 8.333 -3.018 81 HG23 VAL 28 3HG2 VAL 28 -0.685 6.910 -1.992 82 H SER 29 H SER 29 -0.774 7.546 -6.687 83 HA SER 29 HA SER 29 1.986 8.110 -6.972 84 HB2 SER 29 1HB SER 29 -0.437 9.271 -8.320 85 HB3 SER 29 2HB SER 29 1.216 9.671 -8.766 86 HG SER 29 HG SER 29 0.215 7.009 -8.694 87 H ASN 30 H ASN 30 3.120 9.944 -6.776 88 HA ASN 30 HA ASN 30 2.218 12.476 -6.000 89 HB2 ASN 30 1HB ASN 30 2.952 12.590 -3.690 90 HB3 ASN 30 2HB ASN 30 1.750 11.320 -3.846 91 HD21 ASN 30 1HD2 ASN 30 4.984 12.093 -3.020 92 HD22 ASN 30 2HD2 ASN 30 5.469 10.508 -2.549 93 H ASP 31 H ASP 31 4.442 13.540 -4.830 94 HA ASP 31 HA ASP 31 6.409 13.872 -6.609 95 HB2 ASP 31 1HB ASP 31 6.484 15.001 -4.474 96 HB3 ASP 31 2HB ASP 31 6.786 13.485 -3.633 97 H LYS 32 H LYS 32 7.741 12.652 -7.739 98 HA LYS 32 HA LYS 32 7.492 9.865 -7.625 99 HB2 LYS 32 1HB LYS 32 9.519 11.518 -9.125 100 HB3 LYS 32 2HB LYS 32 9.158 9.825 -9.431 101 HG2 LYS 32 1HG LYS 32 6.846 10.445 -9.999 102 HG3 LYS 32 2HG LYS 32 7.261 12.142 -9.755 103 HD2 LYS 32 1HD LYS 32 8.511 10.289 -11.783 104 HD3 LYS 32 2HD LYS 32 7.309 11.531 -12.126 105 HE2 LYS 32 1HE LYS 32 8.882 13.245 -11.313 106 HE3 LYS 32 2HE LYS 32 10.086 11.987 -11.038 107 HZ1 LYS 32 1HZ LYS 32 10.465 13.094 -13.138 108 HZ2 LYS 32 2HZ LYS 32 8.903 12.722 -13.662 109 HZ3 LYS 32 3HZ LYS 32 10.029 11.485 -13.412 110 H LYS 33 H LYS 33 9.808 11.971 -6.142 111 HA LYS 33 HA LYS 33 11.945 10.228 -5.749 112 HB2 LYS 33 1HB LYS 33 12.036 12.616 -5.193 113 HB3 LYS 33 2HB LYS 33 10.889 12.362 -3.888 114 HG2 LYS 33 1HG LYS 33 12.500 10.941 -2.736 115 HG3 LYS 33 2HG LYS 33 13.651 11.182 -4.049 116 HD2 LYS 33 1HD LYS 33 14.253 12.655 -2.268 117 HD3 LYS 33 2HD LYS 33 13.576 13.631 -3.568 118 HE2 LYS 33 1HE LYS 33 11.806 12.677 -1.357 119 HE3 LYS 33 2HE LYS 33 12.871 14.052 -1.087 120 HZ1 LYS 33 1HZ LYS 33 10.744 13.836 -3.157 121 HZ2 LYS 33 2HZ LYS 33 11.839 15.121 -3.036 122 HZ3 LYS 33 3HZ LYS 33 10.740 14.831 -1.787 123 H LEU 34 H LEU 34 9.053 10.756 -3.749 124 HA LEU 34 HA LEU 34 9.697 8.858 -1.765 125 HB2 LEU 34 1HB LEU 34 8.022 10.581 -1.395 126 HB3 LEU 34 2HB LEU 34 7.016 9.914 -2.662 127 HG LEU 34 HG LEU 34 7.683 8.143 -0.355 128 HD11 LEU 34 1HD1 LEU 34 7.118 10.235 0.738 129 HD12 LEU 34 2HD1 LEU 34 5.814 9.065 0.932 130 HD13 LEU 34 3HD1 LEU 34 5.658 10.371 -0.241 131 HD21 LEU 34 1HD2 LEU 34 5.411 7.346 -0.749 132 HD22 LEU 34 2HD2 LEU 34 6.357 7.304 -2.237 133 HD23 LEU 34 3HD2 LEU 34 5.177 8.589 -1.977 134 H ILE 35 H ILE 35 7.823 8.622 -4.755 135 HA ILE 35 HA ILE 35 6.876 6.019 -4.494 136 HB ILE 35 HB ILE 35 7.751 7.412 -7.037 137 HG12 ILE 35 1HG1 ILE 35 4.992 7.166 -5.796 138 HG13 ILE 35 2HG1 ILE 35 5.982 8.623 -5.789 139 HG21 ILE 35 1HG2 ILE 35 7.610 5.011 -7.362 140 HG22 ILE 35 2HG2 ILE 35 6.279 5.821 -8.187 141 HG23 ILE 35 3HG2 ILE 35 5.993 4.991 -6.658 142 HD11 ILE 35 1HD1 ILE 35 4.278 8.745 -7.496 143 HD12 ILE 35 2HD1 ILE 35 4.858 7.242 -8.214 144 HD13 ILE 35 3HD1 ILE 35 5.877 8.681 -8.236 145 H GLU 36 H GLU 36 9.939 7.190 -5.852 146 HA GLU 36 HA GLU 36 10.960 4.652 -6.552 147 HB2 GLU 36 1HB GLU 36 12.420 7.210 -5.905 148 HB3 GLU 36 2HB GLU 36 13.164 5.785 -6.612 149 HG2 GLU 36 1HG GLU 36 11.516 6.024 -8.505 150 HG3 GLU 36 2HG GLU 36 11.120 7.606 -7.830 151 H GLU 37 H GLU 37 11.535 6.690 -3.682 152 HA GLU 37 HA GLU 37 13.432 4.954 -2.526 153 HB2 GLU 37 1HB GLU 37 11.634 6.945 -1.136 154 HB3 GLU 37 2HB GLU 37 13.094 6.230 -0.465 155 HG2 GLU 37 1HG GLU 37 12.872 8.146 -2.767 156 HG3 GLU 37 2HG GLU 37 13.646 8.409 -1.206 157 H ALA 38 H ALA 38 9.922 5.215 -2.097 158 HA ALA 38 HA ALA 38 9.673 3.177 -0.164 159 HB1 ALA 38 1HB ALA 38 7.700 4.021 -2.286 160 HB2 ALA 38 2HB ALA 38 7.868 4.747 -0.687 161 HB3 ALA 38 3HB ALA 38 7.328 3.074 -0.844 162 H ARG 39 H ARG 39 9.650 3.125 -3.693 163 HA ARG 39 HA ARG 39 9.043 0.394 -4.005 164 HB2 ARG 39 1HB ARG 39 8.841 2.123 -5.778 165 HB3 ARG 39 2HB ARG 39 10.593 2.196 -5.871 166 HG2 ARG 39 1HG ARG 39 10.684 -0.093 -6.636 167 HG3 ARG 39 2HG ARG 39 8.935 -0.248 -6.453 168 HD2 ARG 39 1HD ARG 39 8.647 1.575 -8.102 169 HD3 ARG 39 2HD ARG 39 10.393 1.603 -8.332 170 HE ARG 39 HE ARG 39 9.524 -1.009 -8.766 171 HH11 ARG 39 1HH1 ARG 39 9.197 2.160 -10.209 172 HH12 ARG 39 2HH1 ARG 39 8.926 1.543 -11.810 173 HH21 ARG 39 1HH2 ARG 39 9.169 -1.829 -10.875 174 HH22 ARG 39 2HH2 ARG 39 8.912 -0.720 -12.188 175 H LYS 40 H LYS 40 12.094 2.122 -3.659 176 HA LYS 40 HA LYS 40 13.868 0.060 -4.267 177 HB2 LYS 40 1HB LYS 40 14.117 2.350 -2.320 178 HB3 LYS 40 2HB LYS 40 15.443 1.260 -2.686 179 HG2 LYS 40 1HG LYS 40 15.270 1.921 -5.067 180 HG3 LYS 40 2HG LYS 40 14.036 3.101 -4.607 181 HD2 LYS 40 1HD LYS 40 15.625 4.229 -3.158 182 HD3 LYS 40 2HD LYS 40 16.854 3.018 -3.524 183 HE2 LYS 40 1HE LYS 40 17.270 5.001 -4.830 184 HE3 LYS 40 2HE LYS 40 16.760 3.694 -5.898 185 HZ1 LYS 40 1HZ LYS 40 15.040 5.908 -4.906 186 HZ2 LYS 40 2HZ LYS 40 14.533 4.638 -5.914 187 HZ3 LYS 40 3HZ LYS 40 15.670 5.755 -6.474 188 H MET 41 H MET 41 12.404 0.914 -1.145 189 HA MET 41 HA MET 41 13.761 -1.168 0.253 190 HB2 MET 41 1HB MET 41 11.414 0.562 1.024 191 HB3 MET 41 2HB MET 41 12.169 -0.598 2.112 192 HG2 MET 41 1HG MET 41 13.511 1.773 0.833 193 HG3 MET 41 2HG MET 41 13.009 1.638 2.518 194 HE1 MET 41 1HE MET 41 17.029 1.500 2.313 195 HE2 MET 41 2HE MET 41 15.665 2.497 2.817 196 HE3 MET 41 3HE MET 41 15.997 2.258 1.101 197 H ALA 42 H ALA 42 10.693 -0.902 -1.377 198 HA ALA 42 HA ALA 42 9.534 -3.285 -0.385 199 HB1 ALA 42 1HB ALA 42 8.223 -1.571 -1.532 200 HB2 ALA 42 2HB ALA 42 8.043 -3.139 -2.317 201 HB3 ALA 42 3HB ALA 42 9.084 -1.909 -3.032 202 H GLU 43 H GLU 43 11.342 -2.595 -3.371 203 HA GLU 43 HA GLU 43 11.407 -5.270 -4.287 204 HB2 GLU 43 1HB GLU 43 11.844 -3.175 -5.645 205 HB3 GLU 43 2HB GLU 43 13.433 -3.113 -4.897 206 HG2 GLU 43 1HG GLU 43 13.723 -4.130 -6.998 207 HG3 GLU 43 2HG GLU 43 13.834 -5.421 -5.804 208 H LYS 44 H LYS 44 13.316 -3.470 -2.032 209 HA LYS 44 HA LYS 44 15.642 -5.050 -1.967 210 HB2 LYS 44 1HB LYS 44 15.382 -2.762 -0.989 211 HB3 LYS 44 2HB LYS 44 14.414 -3.463 0.295 212 HG2 LYS 44 1HG LYS 44 16.625 -3.110 1.114 213 HG3 LYS 44 2HG LYS 44 16.368 -4.845 0.943 214 HD2 LYS 44 1HD LYS 44 18.570 -4.279 0.130 215 HD3 LYS 44 2HD LYS 44 17.555 -4.772 -1.224 216 HE2 LYS 44 1HE LYS 44 17.167 -2.425 -1.793 217 HE3 LYS 44 2HE LYS 44 18.170 -1.927 -0.432 218 HZ1 LYS 44 1HZ LYS 44 19.108 -3.533 -2.745 219 HZ2 LYS 44 2HZ LYS 44 20.062 -2.982 -1.462 220 HZ3 LYS 44 3HZ LYS 44 19.373 -1.875 -2.536 221 H ALA 45 H ALA 45 12.482 -5.499 -0.581 222 HA ALA 45 HA ALA 45 13.468 -7.888 0.840 223 HB1 ALA 45 1HB ALA 45 11.504 -7.711 2.275 224 HB2 ALA 45 2HB ALA 45 10.979 -6.280 1.389 225 HB3 ALA 45 3HB ALA 45 12.469 -6.236 2.331 226 H ASN 46 H ASN 46 12.523 -7.327 -2.003 227 HA ASN 46 HA ASN 46 11.374 -8.331 -3.667 228 HB2 ASN 46 1HB ASN 46 12.639 -10.298 -2.777 229 HB3 ASN 46 2HB ASN 46 11.232 -10.707 -1.799 230 HD21 ASN 46 1HD2 ASN 46 10.941 -12.674 -2.810 231 HD22 ASN 46 2HD2 ASN 46 10.336 -12.810 -4.423 232 H LEU 47 H LEU 47 9.807 -6.653 -2.296 233 HA LEU 47 HA LEU 47 7.257 -8.044 -1.894 234 HB2 LEU 47 1HB LEU 47 7.871 -5.110 -1.537 235 HB3 LEU 47 2HB LEU 47 6.430 -5.954 -1.008 236 HG LEU 47 HG LEU 47 9.212 -6.259 0.115 237 HD11 LEU 47 1HD1 LEU 47 8.089 -4.236 0.822 238 HD12 LEU 47 2HD1 LEU 47 8.169 -5.384 2.157 239 HD13 LEU 47 3HD1 LEU 47 6.658 -5.162 1.275 240 HD21 LEU 47 1HD2 LEU 47 6.678 -7.695 0.889 241 HD22 LEU 47 2HD2 LEU 47 8.222 -7.790 1.736 242 HD23 LEU 47 3HD2 LEU 47 8.075 -8.419 0.095 243 H GLU 48 H GLU 48 5.404 -7.460 -3.106 244 HA GLU 48 HA GLU 48 6.015 -6.739 -5.833 245 HB2 GLU 48 1HB GLU 48 4.401 -8.556 -5.177 246 HB3 GLU 48 2HB GLU 48 3.327 -7.308 -4.565 247 HG2 GLU 48 1HG GLU 48 2.526 -7.874 -6.697 248 HG3 GLU 48 2HG GLU 48 3.342 -6.323 -6.875 249 H LEU 49 H LEU 49 6.471 -4.587 -5.991 250 HA LEU 49 HA LEU 49 4.800 -2.643 -4.618 251 HB2 LEU 49 1HB LEU 49 7.371 -2.556 -4.880 252 HB3 LEU 49 2HB LEU 49 7.055 -2.029 -6.518 253 HG LEU 49 HG LEU 49 7.562 -0.167 -4.973 254 HD11 LEU 49 1HD1 LEU 49 4.755 -0.097 -6.045 255 HD12 LEU 49 2HD1 LEU 49 6.222 0.263 -6.957 256 HD13 LEU 49 3HD1 LEU 49 5.741 1.300 -5.613 257 HD21 LEU 49 1HD2 LEU 49 6.524 -1.161 -2.965 258 HD22 LEU 49 2HD2 LEU 49 4.937 -0.836 -3.665 259 HD23 LEU 49 3HD2 LEU 49 6.014 0.500 -3.265 260 H ILE 50 H ILE 50 3.030 -1.861 -5.527 261 HA ILE 50 HA ILE 50 2.969 -1.565 -8.457 262 HB ILE 50 HB ILE 50 0.646 -2.350 -6.685 263 HG12 ILE 50 1HG1 ILE 50 2.114 -3.910 -8.825 264 HG13 ILE 50 2HG1 ILE 50 2.255 -4.178 -7.092 265 HG21 ILE 50 1HG2 ILE 50 -0.633 -2.523 -8.756 266 HG22 ILE 50 2HG2 ILE 50 0.761 -1.957 -9.673 267 HG23 ILE 50 3HG2 ILE 50 -0.030 -0.882 -8.520 268 HD11 ILE 50 1HD1 ILE 50 -0.091 -4.811 -6.993 269 HD12 ILE 50 2HD1 ILE 50 0.800 -5.818 -8.136 270 HD13 ILE 50 3HD1 ILE 50 -0.246 -4.526 -8.727 271 H THR 51 H THR 51 2.715 0.463 -9.071 272 HA THR 51 HA THR 51 1.839 2.452 -7.113 273 HB THR 51 HB THR 51 3.041 2.993 -9.832 274 HG1 THR 51 HG1 THR 51 4.699 1.965 -8.911 275 HG21 THR 51 1HG2 THR 51 1.949 4.895 -8.750 276 HG22 THR 51 2HG2 THR 51 3.698 5.121 -8.790 277 HG23 THR 51 3HG2 THR 51 2.906 4.629 -7.292 278 H VAL 52 H VAL 52 -0.085 3.423 -7.278 279 HA VAL 52 HA VAL 52 -1.607 3.093 -9.793 280 HB VAL 52 HB VAL 52 -3.650 3.100 -8.520 281 HG11 VAL 52 1HG1 VAL 52 -1.668 1.252 -7.213 282 HG12 VAL 52 2HG1 VAL 52 -2.551 0.946 -8.710 283 HG13 VAL 52 3HG1 VAL 52 -3.423 1.075 -7.181 284 HG21 VAL 52 1HG2 VAL 52 -1.963 3.531 -6.061 285 HG22 VAL 52 2HG2 VAL 52 -3.713 3.311 -6.098 286 HG23 VAL 52 3HG2 VAL 52 -2.988 4.746 -6.839 287 HA PRO 53 HA PRO 53 -2.526 7.573 -9.959 288 HB2 PRO 53 1HB PRO 53 -5.276 7.389 -9.283 289 HB3 PRO 53 2HB PRO 53 -4.587 7.534 -10.900 290 HG2 PRO 53 1HG PRO 53 -5.481 5.111 -9.428 291 HG3 PRO 53 2HG PRO 53 -5.538 5.457 -11.167 292 HD2 PRO 53 1HD PRO 53 -3.735 3.767 -10.189 293 HD3 PRO 53 2HD PRO 53 -3.284 4.918 -11.464 294 H GLY 54 H GLY 54 -3.218 9.274 -8.509 295 HA2 GLY 54 1HA GLY 54 -2.173 8.754 -5.920 296 HA3 GLY 54 2HA GLY 54 -2.730 10.302 -6.516 297 H SER 55 H SER 55 -5.171 8.020 -6.872 298 HA SER 55 HA SER 55 -6.505 9.072 -4.500 299 HB2 SER 55 1HB SER 55 -8.515 7.889 -5.591 300 HB3 SER 55 2HB SER 55 -7.895 9.355 -6.358 301 HG SER 55 HG SER 55 -8.310 7.442 -7.753 302 HA PRO 56 HA PRO 56 -5.839 5.408 -2.228 303 HB2 PRO 56 1HB PRO 56 -7.758 5.683 -0.351 304 HB3 PRO 56 2HB PRO 56 -6.339 6.732 -0.421 305 HG2 PRO 56 1HG PRO 56 -9.102 7.246 -1.455 306 HG3 PRO 56 2HG PRO 56 -8.061 8.305 -0.483 307 HD2 PRO 56 1HD PRO 56 -8.274 8.577 -3.156 308 HD3 PRO 56 2HD PRO 56 -6.751 8.891 -2.298 309 H GLU 57 H GLU 57 -8.939 6.033 -3.679 310 HA GLU 57 HA GLU 57 -10.232 3.619 -3.010 311 HB2 GLU 57 1HB GLU 57 -10.610 5.437 -5.394 312 HB3 GLU 57 2HB GLU 57 -11.690 4.118 -4.965 313 HG2 GLU 57 1HG GLU 57 -12.134 5.228 -2.809 314 HG3 GLU 57 2HG GLU 57 -11.127 6.580 -3.331 315 H GLU 58 H GLU 58 -8.414 4.584 -5.900 316 HA GLU 58 HA GLU 58 -8.695 2.152 -7.273 317 HB2 GLU 58 1HB GLU 58 -6.630 4.337 -7.475 318 HB3 GLU 58 2HB GLU 58 -6.680 2.959 -8.565 319 HG2 GLU 58 1HG GLU 58 -8.874 4.983 -8.179 320 HG3 GLU 58 2HG GLU 58 -7.754 4.911 -9.541 321 H ALA 59 H ALA 59 -6.362 3.252 -4.905 322 HA ALA 59 HA ALA 59 -4.427 1.255 -5.252 323 HB1 ALA 59 1HB ALA 59 -3.643 1.849 -3.035 324 HB2 ALA 59 2HB ALA 59 -5.156 2.689 -2.703 325 HB3 ALA 59 3HB ALA 59 -4.061 3.301 -3.941 326 H ILE 60 H ILE 60 -7.117 1.412 -2.909 327 HA ILE 60 HA ILE 60 -6.558 -1.195 -1.891 328 HB ILE 60 HB ILE 60 -9.110 0.382 -1.554 329 HG12 ILE 60 1HG1 ILE 60 -6.600 0.377 0.141 330 HG13 ILE 60 2HG1 ILE 60 -7.132 1.702 -0.889 331 HG21 ILE 60 1HG2 ILE 60 -9.312 -1.955 -0.916 332 HG22 ILE 60 2HG2 ILE 60 -9.313 -0.933 0.522 333 HG23 ILE 60 3HG2 ILE 60 -7.861 -1.830 0.078 334 HD11 ILE 60 1HD1 ILE 60 -9.138 1.946 0.481 335 HD12 ILE 60 2HD1 ILE 60 -7.662 2.143 1.423 336 HD13 ILE 60 3HD1 ILE 60 -8.577 0.638 1.522 337 H ARG 61 H ARG 61 -8.846 0.096 -4.263 338 HA ARG 61 HA ARG 61 -10.344 -2.272 -4.580 339 HB2 ARG 61 1HB ARG 61 -9.867 0.093 -6.371 340 HB3 ARG 61 2HB ARG 61 -10.814 -1.285 -6.914 341 HG2 ARG 61 1HG ARG 61 -12.350 -0.967 -5.037 342 HG3 ARG 61 2HG ARG 61 -11.409 0.429 -4.506 343 HD2 ARG 61 1HD ARG 61 -13.375 1.123 -5.783 344 HD3 ARG 61 2HD ARG 61 -11.887 1.556 -6.626 345 HE ARG 61 HE ARG 61 -12.708 -0.948 -7.555 346 HH11 ARG 61 1HH1 ARG 61 -13.863 2.358 -7.610 347 HH12 ARG 61 2HH1 ARG 61 -14.648 2.186 -9.147 348 HH21 ARG 61 1HH2 ARG 61 -13.757 -1.178 -9.565 349 HH22 ARG 61 2HH2 ARG 61 -14.590 0.179 -10.258 350 H LEU 62 H LEU 62 -7.287 -1.219 -5.948 351 HA LEU 62 HA LEU 62 -7.102 -3.447 -7.746 352 HB2 LEU 62 1HB LEU 62 -5.890 -1.333 -8.147 353 HB3 LEU 62 2HB LEU 62 -4.925 -1.627 -6.713 354 HG LEU 62 HG LEU 62 -3.892 -3.564 -7.737 355 HD11 LEU 62 1HD1 LEU 62 -5.700 -3.008 -10.085 356 HD12 LEU 62 2HD1 LEU 62 -5.775 -4.406 -9.013 357 HD13 LEU 62 3HD1 LEU 62 -4.380 -4.176 -10.067 358 HD21 LEU 62 1HD2 LEU 62 -2.901 -1.387 -8.205 359 HD22 LEU 62 2HD2 LEU 62 -3.934 -1.213 -9.622 360 HD23 LEU 62 3HD2 LEU 62 -2.707 -2.479 -9.575 361 H ALA 63 H ALA 63 -6.111 -2.732 -4.460 362 HA ALA 63 HA ALA 63 -4.530 -5.030 -4.036 363 HB1 ALA 63 1HB ALA 63 -6.111 -3.399 -2.060 364 HB2 ALA 63 2HB ALA 63 -4.432 -3.142 -2.540 365 HB3 ALA 63 3HB ALA 63 -4.881 -4.596 -1.651 366 H GLN 64 H GLN 64 -7.979 -4.464 -3.924 367 HA GLN 64 HA GLN 64 -8.813 -6.900 -2.819 368 HB2 GLN 64 1HB GLN 64 -10.111 -5.168 -4.934 369 HB3 GLN 64 2HB GLN 64 -10.908 -6.525 -4.150 370 HG2 GLN 64 1HG GLN 64 -9.813 -4.139 -2.685 371 HG3 GLN 64 2HG GLN 64 -11.488 -4.298 -3.212 372 HE21 GLN 64 1HE2 GLN 64 -12.844 -5.696 -2.151 373 HE22 GLN 64 2HE2 GLN 64 -12.434 -6.446 -0.648 374 H GLU 65 H GLU 65 -8.030 -5.986 -6.138 375 HA GLU 65 HA GLU 65 -8.497 -8.518 -7.316 376 HB2 GLU 65 1HB GLU 65 -8.323 -6.400 -8.599 377 HB3 GLU 65 2HB GLU 65 -6.610 -6.325 -8.209 378 HG2 GLU 65 1HG GLU 65 -6.199 -8.352 -9.457 379 HG3 GLU 65 2HG GLU 65 -7.923 -8.537 -9.773 380 H ILE 66 H ILE 66 -5.672 -6.988 -5.855 381 HA ILE 66 HA ILE 66 -3.719 -8.869 -6.397 382 HB ILE 66 HB ILE 66 -4.109 -7.407 -3.783 383 HG12 ILE 66 1HG1 ILE 66 -4.049 -5.855 -5.672 384 HG13 ILE 66 2HG1 ILE 66 -2.582 -5.722 -4.707 385 HG21 ILE 66 1HG2 ILE 66 -1.626 -8.609 -4.991 386 HG22 ILE 66 2HG2 ILE 66 -2.530 -9.255 -3.621 387 HG23 ILE 66 3HG2 ILE 66 -1.712 -7.698 -3.483 388 HD11 ILE 66 1HD1 ILE 66 -2.094 -5.603 -7.061 389 HD12 ILE 66 2HD1 ILE 66 -2.867 -7.167 -7.324 390 HD13 ILE 66 3HD1 ILE 66 -1.393 -7.061 -6.360 391 H ALA 67 H ALA 67 -5.795 -8.754 -3.501 392 HA ALA 67 HA ALA 67 -4.930 -11.230 -2.464 393 HB1 ALA 67 1HB ALA 67 -7.514 -9.766 -1.941 394 HB2 ALA 67 2HB ALA 67 -5.984 -9.485 -1.109 395 HB3 ALA 67 3HB ALA 67 -6.811 -11.033 -0.935 396 H GLU 68 H GLU 68 -7.405 -10.365 -4.745 397 HA GLU 68 HA GLU 68 -8.837 -12.819 -4.730 398 HB2 GLU 68 1HB GLU 68 -9.683 -10.633 -5.609 399 HB3 GLU 68 2HB GLU 68 -8.574 -10.798 -6.960 400 HG2 GLU 68 1HG GLU 68 -9.726 -12.921 -7.556 401 HG3 GLU 68 2HG GLU 68 -10.913 -12.563 -6.300 402 H LYS 69 H LYS 69 -5.986 -11.653 -6.347 403 HA LYS 69 HA LYS 69 -5.863 -14.089 -7.995 404 HB2 LYS 69 1HB LYS 69 -4.419 -11.458 -8.388 405 HB3 LYS 69 2HB LYS 69 -4.425 -12.821 -9.497 406 HG2 LYS 69 1HG LYS 69 -6.916 -11.332 -8.722 407 HG3 LYS 69 2HG LYS 69 -5.924 -10.890 -10.107 408 HD2 LYS 69 1HD LYS 69 -6.898 -13.699 -9.816 409 HD3 LYS 69 2HD LYS 69 -7.998 -12.454 -10.404 410 HE2 LYS 69 1HE LYS 69 -6.967 -13.577 -12.275 411 HE3 LYS 69 2HE LYS 69 -6.391 -11.916 -12.194 412 HZ1 LYS 69 1HZ LYS 69 -4.898 -14.271 -11.172 413 HZ2 LYS 69 2HZ LYS 69 -4.338 -12.675 -11.241 414 HZ3 LYS 69 3HZ LYS 69 -4.629 -13.530 -12.665 415 H ALA 70 H ALA 70 -5.003 -13.631 -5.140 416 HA ALA 70 HA ALA 70 -2.098 -13.927 -5.369 417 HB1 ALA 70 1HB ALA 70 -3.780 -13.514 -2.912 418 HB2 ALA 70 2HB ALA 70 -2.942 -12.243 -3.804 419 HB3 ALA 70 3HB ALA 70 -2.019 -13.509 -2.991 420 HA PRO 71 HA PRO 71 -2.788 -18.317 -4.549 421 HB2 PRO 71 1HB PRO 71 0.035 -18.553 -5.255 422 HB3 PRO 71 2HB PRO 71 -1.371 -19.252 -6.058 423 HG2 PRO 71 1HG PRO 71 0.083 -17.289 -7.192 424 HG3 PRO 71 2HG PRO 71 -1.672 -17.426 -7.418 425 HD2 PRO 71 1HD PRO 71 -0.152 -15.642 -5.540 426 HD3 PRO 71 2HD PRO 71 -1.505 -15.240 -6.625 427 H GLY 72 H GLY 72 -2.901 -18.454 -2.382 428 HA2 GLY 72 1HA GLY 72 -1.910 -19.498 -0.498 429 HA3 GLY 72 2HA GLY 72 -0.345 -18.902 -1.026 430 HA PRO 73 HA PRO 73 -1.589 -16.265 2.545 431 HB2 PRO 73 1HB PRO 73 1.320 -16.177 2.965 432 HB3 PRO 73 2HB PRO 73 0.043 -16.666 4.082 433 HG2 PRO 73 1HG PRO 73 1.746 -18.449 3.005 434 HG3 PRO 73 2HG PRO 73 0.054 -18.853 3.350 435 HD2 PRO 73 1HD PRO 73 1.336 -18.142 0.737 436 HD3 PRO 73 2HD PRO 73 0.127 -19.394 1.095 437 H VAL 74 H VAL 74 -1.997 -14.230 2.031 438 HA VAL 74 HA VAL 74 0.079 -12.657 0.674 439 HB VAL 74 HB VAL 74 -1.548 -13.320 -1.020 440 HG11 VAL 74 1HG1 VAL 74 -3.483 -13.694 0.400 441 HG12 VAL 74 2HG1 VAL 74 -3.879 -12.579 -0.906 442 HG13 VAL 74 3HG1 VAL 74 -3.601 -11.966 0.724 443 HG21 VAL 74 1HG2 VAL 74 -1.784 -10.410 -0.262 444 HG22 VAL 74 2HG2 VAL 74 -2.173 -11.091 -1.842 445 HG23 VAL 74 3HG2 VAL 74 -0.513 -11.134 -1.247 446 H LYS 75 H LYS 75 0.389 -10.665 1.444 447 HA LYS 75 HA LYS 75 -1.750 -9.397 3.008 448 HB2 LYS 75 1HB LYS 75 1.198 -9.287 3.691 449 HB3 LYS 75 2HB LYS 75 -0.076 -8.403 4.512 450 HG2 LYS 75 1HG LYS 75 -1.068 -10.606 5.163 451 HG3 LYS 75 2HG LYS 75 0.380 -11.375 4.508 452 HD2 LYS 75 1HD LYS 75 1.737 -9.936 6.040 453 HD3 LYS 75 2HD LYS 75 0.231 -9.389 6.772 454 HE2 LYS 75 1HE LYS 75 1.262 -12.221 6.693 455 HE3 LYS 75 2HE LYS 75 1.237 -11.157 8.096 456 HZ1 LYS 75 1HZ LYS 75 -1.094 -12.313 6.674 457 HZ2 LYS 75 2HZ LYS 75 -1.230 -11.107 7.852 458 HZ3 LYS 75 3HZ LYS 75 -0.597 -12.624 8.261 459 H VAL 76 H VAL 76 -2.060 -7.251 2.498 460 HA VAL 76 HA VAL 76 -0.222 -6.117 0.502 461 HB VAL 76 HB VAL 76 -3.182 -5.562 0.626 462 HG11 VAL 76 1HG1 VAL 76 -1.093 -4.974 -1.462 463 HG12 VAL 76 2HG1 VAL 76 -1.873 -3.806 -0.398 464 HG13 VAL 76 3HG1 VAL 76 -2.818 -4.650 -1.624 465 HG21 VAL 76 1HG2 VAL 76 -3.409 -7.008 -1.347 466 HG22 VAL 76 2HG2 VAL 76 -2.876 -7.908 0.073 467 HG23 VAL 76 3HG2 VAL 76 -1.718 -7.477 -1.185 468 H LEU 77 H LEU 77 0.706 -4.292 1.093 469 HA LEU 77 HA LEU 77 -0.490 -2.706 3.253 470 HB2 LEU 77 1HB LEU 77 1.832 -3.361 3.590 471 HB3 LEU 77 2HB LEU 77 2.279 -2.654 2.048 472 HG LEU 77 HG LEU 77 1.673 -0.419 2.915 473 HD11 LEU 77 1HD1 LEU 77 1.225 -0.096 5.261 474 HD12 LEU 77 2HD1 LEU 77 1.334 -1.829 5.556 475 HD13 LEU 77 3HD1 LEU 77 0.019 -1.182 4.574 476 HD21 LEU 77 1HD2 LEU 77 3.979 -1.192 3.030 477 HD22 LEU 77 2HD2 LEU 77 3.663 -1.933 4.599 478 HD23 LEU 77 3HD2 LEU 77 3.584 -0.181 4.420 479 H VAL 78 H VAL 78 -1.583 -0.924 2.733 480 HA VAL 78 HA VAL 78 -1.191 0.206 0.049 481 HB VAL 78 HB VAL 78 -3.497 0.597 1.962 482 HG11 VAL 78 1HG1 VAL 78 -3.176 2.535 0.528 483 HG12 VAL 78 2HG1 VAL 78 -4.626 1.651 0.053 484 HG13 VAL 78 3HG1 VAL 78 -3.147 1.496 -0.896 485 HG21 VAL 78 1HG2 VAL 78 -3.315 -1.041 -0.563 486 HG22 VAL 78 2HG2 VAL 78 -4.771 -0.787 0.398 487 HG23 VAL 78 3HG2 VAL 78 -3.409 -1.674 1.080 488 H LEU 79 H LEU 79 -0.007 1.967 -0.093 489 HA LEU 79 HA LEU 79 0.348 3.670 2.270 490 HB2 LEU 79 1HB LEU 79 1.846 3.677 -0.349 491 HB3 LEU 79 2HB LEU 79 2.231 4.654 1.052 492 HG LEU 79 HG LEU 79 2.552 1.685 0.717 493 HD11 LEU 79 1HD1 LEU 79 4.884 2.208 1.263 494 HD12 LEU 79 2HD1 LEU 79 4.471 3.920 1.316 495 HD13 LEU 79 3HD1 LEU 79 4.327 3.025 -0.197 496 HD21 LEU 79 1HD2 LEU 79 2.840 3.313 3.242 497 HD22 LEU 79 2HD2 LEU 79 3.336 1.632 3.047 498 HD23 LEU 79 3HD2 LEU 79 1.630 2.066 2.939 499 H ILE 80 H ILE 80 -1.003 5.327 2.403 500 HA ILE 80 HA ILE 80 -1.728 6.720 -0.085 501 HB ILE 80 HB ILE 80 -3.662 7.653 1.249 502 HG12 ILE 80 1HG1 ILE 80 -2.881 5.412 3.130 503 HG13 ILE 80 2HG1 ILE 80 -2.847 7.133 3.499 504 HG21 ILE 80 1HG2 ILE 80 -3.553 4.688 0.733 505 HG22 ILE 80 2HG2 ILE 80 -3.958 5.944 -0.436 506 HG23 ILE 80 3HG2 ILE 80 -5.029 5.632 0.930 507 HD11 ILE 80 1HD1 ILE 80 -4.783 6.053 4.483 508 HD12 ILE 80 2HD1 ILE 80 -5.305 5.511 2.888 509 HD13 ILE 80 3HD1 ILE 80 -5.271 7.234 3.266 510 H THR 81 H THR 81 -1.091 8.782 -0.317 511 HA THR 81 HA THR 81 0.541 9.807 1.883 512 HB THR 81 HB THR 81 1.706 9.364 -0.249 513 HG1 THR 81 HG1 THR 81 2.283 11.119 1.267 514 HG21 THR 81 1HG2 THR 81 1.341 10.770 -2.185 515 HG22 THR 81 2HG2 THR 81 0.050 11.634 -1.355 516 HG23 THR 81 3HG2 THR 81 -0.154 9.935 -1.777 517 H GLY 82 H GLY 82 0.376 11.873 2.638 518 HA2 GLY 82 1HA GLY 82 -0.508 13.983 2.967 519 HA3 GLY 82 2HA GLY 82 -1.380 13.814 1.452 520 H SER 83 H SER 83 -3.056 14.922 2.798 521 HA SER 83 HA SER 83 -4.502 13.039 4.520 522 HB2 SER 83 1HB SER 83 -4.867 16.027 4.175 523 HB3 SER 83 2HB SER 83 -5.757 15.008 5.307 524 HG SER 83 HG SER 83 -2.928 15.165 5.323 525 H ALA 84 H ALA 84 -5.904 11.844 3.438 526 HA ALA 84 HA ALA 84 -7.028 12.538 0.933 527 HB1 ALA 84 1HB ALA 84 -8.389 10.526 1.214 528 HB2 ALA 84 2HB ALA 84 -7.898 10.426 2.905 529 HB3 ALA 84 3HB ALA 84 -6.702 10.216 1.626 530 H ASP 85 H ASP 85 -8.916 13.464 0.408 531 HA ASP 85 HA ASP 85 -10.282 15.117 2.210 532 HB2 ASP 85 1HB ASP 85 -11.144 14.071 -0.499 533 HB3 ASP 85 2HB ASP 85 -11.961 15.362 0.375 534 HA PRO 86 HA PRO 86 -12.980 12.834 4.749 535 HB2 PRO 86 1HB PRO 86 -15.117 14.437 3.383 536 HB3 PRO 86 2HB PRO 86 -14.920 14.071 5.102 537 HG2 PRO 86 1HG PRO 86 -14.150 16.422 4.122 538 HG3 PRO 86 2HG PRO 86 -13.199 15.597 5.369 539 HD2 PRO 86 1HD PRO 86 -12.596 16.000 2.504 540 HD3 PRO 86 2HD PRO 86 -11.493 15.707 3.861 541 H ASP 87 H ASP 87 -14.459 13.286 1.519 542 HA ASP 87 HA ASP 87 -16.107 11.007 1.663 543 HB2 ASP 87 1HB ASP 87 -16.535 12.772 0.045 544 HB3 ASP 87 2HB ASP 87 -15.012 12.427 -0.770 545 H GLU 88 H GLU 88 -12.958 11.463 0.078 546 HA GLU 88 HA GLU 88 -12.749 8.761 -0.776 547 HB2 GLU 88 1HB GLU 88 -10.622 10.882 -0.452 548 HB3 GLU 88 2HB GLU 88 -10.391 9.340 -1.267 549 HG2 GLU 88 1HG GLU 88 -12.124 9.957 -2.894 550 HG3 GLU 88 2HG GLU 88 -12.300 11.517 -2.091 551 H LYS 89 H LYS 89 -11.761 10.520 2.071 552 HA LYS 89 HA LYS 89 -10.182 8.593 3.347 553 HB2 LYS 89 1HB LYS 89 -10.414 10.873 4.181 554 HB3 LYS 89 2HB LYS 89 -12.122 10.617 4.492 555 HG2 LYS 89 1HG LYS 89 -11.079 10.495 6.581 556 HG3 LYS 89 2HG LYS 89 -11.414 8.823 6.133 557 HD2 LYS 89 1HD LYS 89 -9.124 8.472 5.501 558 HD3 LYS 89 2HD LYS 89 -8.754 10.185 5.715 559 HE2 LYS 89 1HE LYS 89 -9.317 9.970 8.113 560 HE3 LYS 89 2HE LYS 89 -9.584 8.244 7.870 561 HZ1 LYS 89 1HZ LYS 89 -7.284 7.979 7.275 562 HZ2 LYS 89 2HZ LYS 89 -7.380 8.755 8.774 563 HZ3 LYS 89 3HZ LYS 89 -7.011 9.644 7.385 564 H THR 90 H THR 90 -13.686 9.090 3.347 565 HA THR 90 HA THR 90 -14.284 6.873 5.029 566 HB THR 90 HB THR 90 -16.087 8.318 3.076 567 HG1 THR 90 HG1 THR 90 -15.347 9.825 4.534 568 HG21 THR 90 1HG2 THR 90 -16.759 6.677 5.523 569 HG22 THR 90 2HG2 THR 90 -16.974 6.154 3.853 570 HG23 THR 90 3HG2 THR 90 -17.908 7.511 4.478 571 H LYS 91 H LYS 91 -14.250 7.389 1.533 572 HA LYS 91 HA LYS 91 -15.280 4.951 0.678 573 HB2 LYS 91 1HB LYS 91 -13.919 7.183 -0.462 574 HB3 LYS 91 2HB LYS 91 -13.163 5.718 -1.066 575 HG2 LYS 91 1HG LYS 91 -14.899 6.445 -2.568 576 HG3 LYS 91 2HG LYS 91 -15.349 4.915 -1.821 577 HD2 LYS 91 1HD LYS 91 -16.826 6.059 -0.282 578 HD3 LYS 91 2HD LYS 91 -16.309 7.626 -0.911 579 HE2 LYS 91 1HE LYS 91 -18.475 6.953 -1.832 580 HE3 LYS 91 2HE LYS 91 -17.245 7.081 -3.089 581 HZ1 LYS 91 1HZ LYS 91 -18.241 4.578 -1.841 582 HZ2 LYS 91 2HZ LYS 91 -16.980 4.653 -2.963 583 HZ3 LYS 91 3HZ LYS 91 -18.542 5.105 -3.420 584 H ALA 92 H ALA 92 -11.921 5.863 1.359 585 HA ALA 92 HA ALA 92 -10.846 3.284 0.817 586 HB1 ALA 92 1HB ALA 92 -9.648 5.532 2.434 587 HB2 ALA 92 2HB ALA 92 -9.515 5.352 0.686 588 HB3 ALA 92 3HB ALA 92 -8.783 4.154 1.754 589 H LYS 93 H LYS 93 -12.058 4.913 3.666 590 HA LYS 93 HA LYS 93 -11.085 3.203 5.640 591 HB2 LYS 93 1HB LYS 93 -12.168 5.378 6.085 592 HB3 LYS 93 2HB LYS 93 -13.714 4.695 5.605 593 HG2 LYS 93 1HG LYS 93 -13.551 4.783 8.008 594 HG3 LYS 93 2HG LYS 93 -13.575 3.104 7.467 595 HD2 LYS 93 1HD LYS 93 -11.169 2.954 7.732 596 HD3 LYS 93 2HD LYS 93 -11.091 4.659 8.182 597 HE2 LYS 93 1HE LYS 93 -12.547 2.502 9.703 598 HE3 LYS 93 2HE LYS 93 -10.985 3.190 10.142 599 HZ1 LYS 93 1HZ LYS 93 -12.047 5.341 10.406 600 HZ2 LYS 93 2HZ LYS 93 -12.786 4.190 11.400 601 HZ3 LYS 93 3HZ LYS 93 -13.544 4.687 9.974 602 H LYS 94 H LYS 94 -14.206 3.113 3.921 603 HA LYS 94 HA LYS 94 -15.140 0.750 5.120 604 HB2 LYS 94 1HB LYS 94 -15.773 1.889 2.397 605 HB3 LYS 94 2HB LYS 94 -16.660 0.580 3.160 606 HG2 LYS 94 1HG LYS 94 -17.097 2.228 5.067 607 HG3 LYS 94 2HG LYS 94 -16.551 3.472 3.938 608 HD2 LYS 94 1HD LYS 94 -18.838 1.546 3.518 609 HD3 LYS 94 2HD LYS 94 -18.972 3.271 3.861 610 HE2 LYS 94 1HE LYS 94 -18.023 3.846 1.760 611 HE3 LYS 94 2HE LYS 94 -17.539 2.180 1.451 612 HZ1 LYS 94 1HZ LYS 94 -19.836 1.550 1.262 613 HZ2 LYS 94 2HZ LYS 94 -19.523 2.835 0.207 614 HZ3 LYS 94 3HZ LYS 94 -20.346 3.114 1.655 615 H ALA 95 H ALA 95 -13.262 1.312 2.194 616 HA ALA 95 HA ALA 95 -13.240 -1.317 1.213 617 HB1 ALA 95 1HB ALA 95 -11.120 0.801 0.894 618 HB2 ALA 95 2HB ALA 95 -12.566 0.643 -0.101 619 HB3 ALA 95 3HB ALA 95 -11.340 -0.624 -0.122 620 H ALA 96 H ALA 96 -10.886 0.406 3.246 621 HA ALA 96 HA ALA 96 -9.039 -1.701 3.444 622 HB1 ALA 96 1HB ALA 96 -8.482 0.634 3.916 623 HB2 ALA 96 2HB ALA 96 -8.038 -0.426 5.254 624 HB3 ALA 96 3HB ALA 96 -9.484 0.577 5.366 625 H GLU 97 H GLU 97 -11.875 -0.913 5.394 626 HA GLU 97 HA GLU 97 -11.211 -2.640 7.543 627 HB2 GLU 97 1HB GLU 97 -12.868 -0.788 7.703 628 HB3 GLU 97 2HB GLU 97 -13.970 -1.734 6.710 629 HG2 GLU 97 1HG GLU 97 -14.172 -3.408 8.381 630 HG3 GLU 97 2HG GLU 97 -12.856 -2.712 9.324 631 H GLU 98 H GLU 98 -13.065 -3.107 4.571 632 HA GLU 98 HA GLU 98 -13.773 -5.813 5.223 633 HB2 GLU 98 1HB GLU 98 -13.800 -4.370 2.565 634 HB3 GLU 98 2HB GLU 98 -14.500 -5.955 2.861 635 HG2 GLU 98 1HG GLU 98 -16.019 -4.914 4.521 636 HG3 GLU 98 2HG GLU 98 -15.370 -3.340 4.061 637 H ALA 99 H ALA 99 -11.282 -4.223 3.318 638 HA ALA 99 HA ALA 99 -10.207 -6.591 2.175 639 HB1 ALA 99 1HB ALA 99 -8.843 -3.933 2.554 640 HB2 ALA 99 2HB ALA 99 -9.951 -4.310 1.235 641 HB3 ALA 99 3HB ALA 99 -8.431 -5.189 1.386 642 H ARG 100 H ARG 100 -9.966 -5.226 5.274 643 HA ARG 100 HA ARG 100 -7.345 -5.911 6.003 644 HB2 ARG 100 1HB ARG 100 -8.922 -4.399 7.259 645 HB3 ARG 100 2HB ARG 100 -9.739 -5.841 7.844 646 HG2 ARG 100 1HG ARG 100 -7.762 -6.562 8.999 647 HG3 ARG 100 2HG ARG 100 -6.824 -5.241 8.300 648 HD2 ARG 100 1HD ARG 100 -8.320 -3.635 9.444 649 HD3 ARG 100 2HD ARG 100 -9.142 -4.992 10.212 650 HE ARG 100 HE ARG 100 -6.670 -5.462 10.999 651 HH11 ARG 100 1HH1 ARG 100 -8.403 -2.424 10.857 652 HH12 ARG 100 2HH1 ARG 100 -7.510 -1.707 12.159 653 HH21 ARG 100 1HH2 ARG 100 -5.490 -4.526 12.713 654 HH22 ARG 100 2HH2 ARG 100 -5.853 -2.909 13.226 655 H LYS 101 H LYS 101 -10.089 -7.875 5.443 656 HA LYS 101 HA LYS 101 -9.547 -10.111 7.043 657 HB2 LYS 101 1HB LYS 101 -10.707 -10.009 4.252 658 HB3 LYS 101 2HB LYS 101 -10.787 -11.395 5.330 659 HG2 LYS 101 1HG LYS 101 -12.176 -10.199 6.868 660 HG3 LYS 101 2HG LYS 101 -11.973 -8.703 5.955 661 HD2 LYS 101 1HD LYS 101 -13.103 -9.724 4.037 662 HD3 LYS 101 2HD LYS 101 -13.311 -11.217 4.956 663 HE2 LYS 101 1HE LYS 101 -14.431 -8.531 5.743 664 HE3 LYS 101 2HE LYS 101 -15.337 -9.801 4.922 665 HZ1 LYS 101 1HZ LYS 101 -14.078 -10.048 7.597 666 HZ2 LYS 101 2HZ LYS 101 -14.981 -11.243 6.811 667 HZ3 LYS 101 3HZ LYS 101 -15.726 -9.810 7.307 668 H TRP 102 H TRP 102 -8.209 -9.061 3.970 669 HA TRP 102 HA TRP 102 -6.418 -11.385 3.916 670 HB2 TRP 102 1HB TRP 102 -6.914 -9.253 1.821 671 HB3 TRP 102 2HB TRP 102 -5.868 -10.661 1.624 672 HD1 TRP 102 HD1 TRP 102 -7.035 -13.001 1.166 673 HE1 TRP 102 HE1 TRP 102 -9.431 -13.652 0.488 674 HE3 TRP 102 HE3 TRP 102 -9.381 -8.569 2.152 675 HZ2 TRP 102 HZ2 TRP 102 -11.983 -12.434 0.389 676 HZ3 TRP 102 HZ3 TRP 102 -11.799 -8.394 1.740 677 HH2 TRP 102 HH2 TRP 102 -13.072 -10.288 0.876 678 H ASN 103 H ASN 103 -6.403 -8.872 5.623 679 HA ASN 103 HA ASN 103 -4.858 -7.630 6.695 680 HB2 ASN 103 1HB ASN 103 -3.010 -9.506 5.249 681 HB3 ASN 103 2HB ASN 103 -2.385 -8.195 6.244 682 HD21 ASN 103 1HD2 ASN 103 -5.315 -9.994 6.932 683 HD22 ASN 103 2HD2 ASN 103 -4.722 -10.773 8.355 684 H VAL 104 H VAL 104 -5.919 -6.853 4.048 685 HA VAL 104 HA VAL 104 -3.865 -5.173 2.923 686 HB VAL 104 HB VAL 104 -6.857 -4.986 2.539 687 HG11 VAL 104 1HG1 VAL 104 -4.567 -3.948 0.877 688 HG12 VAL 104 2HG1 VAL 104 -5.675 -2.984 1.852 689 HG13 VAL 104 3HG1 VAL 104 -6.273 -3.856 0.441 690 HG21 VAL 104 1HG2 VAL 104 -4.824 -6.535 0.937 691 HG22 VAL 104 2HG2 VAL 104 -6.507 -6.288 0.478 692 HG23 VAL 104 3HG2 VAL 104 -6.115 -7.210 1.930 693 H ARG 105 H ARG 105 -3.086 -3.706 4.319 694 HA ARG 105 HA ARG 105 -5.024 -2.158 5.909 695 HB2 ARG 105 1HB ARG 105 -3.210 -1.892 7.583 696 HB3 ARG 105 2HB ARG 105 -3.705 -3.562 7.355 697 HG2 ARG 105 1HG ARG 105 -1.736 -3.821 5.810 698 HG3 ARG 105 2HG ARG 105 -1.207 -2.226 6.346 699 HD2 ARG 105 1HD ARG 105 -0.072 -3.932 7.629 700 HD3 ARG 105 2HD ARG 105 -1.187 -3.050 8.673 701 HE ARG 105 HE ARG 105 -2.602 -5.220 7.765 702 HH11 ARG 105 1HH1 ARG 105 0.351 -4.730 9.575 703 HH12 ARG 105 2HH1 ARG 105 0.222 -6.226 10.439 704 HH21 ARG 105 1HH2 ARG 105 -2.791 -7.190 8.924 705 HH22 ARG 105 2HH2 ARG 105 -1.566 -7.623 10.072 706 H VAL 106 H VAL 106 -4.862 0.026 5.976 707 HA VAL 106 HA VAL 106 -3.113 1.221 3.961 708 HB VAL 106 HB VAL 106 -4.535 3.231 4.177 709 HG11 VAL 106 1HG1 VAL 106 -6.591 2.248 3.209 710 HG12 VAL 106 2HG1 VAL 106 -5.998 0.648 3.660 711 HG13 VAL 106 3HG1 VAL 106 -5.109 1.622 2.489 712 HG21 VAL 106 1HG2 VAL 106 -6.614 3.137 5.462 713 HG22 VAL 106 2HG2 VAL 106 -5.206 2.977 6.512 714 HG23 VAL 106 3HG2 VAL 106 -6.157 1.553 6.091 715 H ARG 107 H ARG 107 -1.684 2.842 4.387 716 HA ARG 107 HA ARG 107 -1.497 3.873 7.120 717 HB2 ARG 107 1HB ARG 107 0.792 2.681 5.547 718 HB3 ARG 107 2HB ARG 107 1.016 3.696 6.964 719 HG2 ARG 107 1HG ARG 107 -0.235 2.071 8.311 720 HG3 ARG 107 2HG ARG 107 -0.419 1.048 6.885 721 HD2 ARG 107 1HD ARG 107 2.003 0.812 6.732 722 HD3 ARG 107 2HD ARG 107 2.202 1.868 8.127 723 HE ARG 107 HE ARG 107 0.614 -0.103 9.076 724 HH11 ARG 107 1HH1 ARG 107 3.648 -0.171 7.326 725 HH12 ARG 107 2HH1 ARG 107 4.233 -1.584 8.148 726 HH21 ARG 107 1HH2 ARG 107 1.402 -1.974 10.147 727 HH22 ARG 107 2HH2 ARG 107 2.981 -2.590 9.739 728 H THR 108 H THR 108 -1.021 6.003 7.215 729 HA THR 108 HA THR 108 -1.044 7.414 4.672 730 HB THR 108 HB THR 108 -1.209 8.555 7.468 731 HG1 THR 108 HG1 THR 108 -2.930 6.996 6.519 732 HG21 THR 108 1HG2 THR 108 -1.959 9.716 4.780 733 HG22 THR 108 2HG2 THR 108 -0.565 10.184 5.753 734 HG23 THR 108 3HG2 THR 108 -2.197 10.497 6.343 735 H VAL 109 H VAL 109 0.698 8.266 3.781 736 HA VAL 109 HA VAL 109 3.065 8.706 5.479 737 HB VAL 109 HB VAL 109 4.468 8.274 3.483 738 HG11 VAL 109 1HG1 VAL 109 2.604 6.032 4.254 739 HG12 VAL 109 2HG1 VAL 109 4.095 6.491 5.075 740 HG13 VAL 109 3HG1 VAL 109 4.155 5.831 3.440 741 HG21 VAL 109 1HG2 VAL 109 3.488 7.166 1.522 742 HG22 VAL 109 2HG2 VAL 109 2.855 8.800 1.732 743 HG23 VAL 109 3HG2 VAL 109 1.875 7.409 2.197 744 H THR 110 H THR 110 3.899 10.706 5.505 745 HA THR 110 HA THR 110 2.962 12.587 3.439 746 HB THR 110 HB THR 110 3.627 14.357 5.197 747 HG1 THR 110 HG1 THR 110 4.333 12.209 6.541 748 HG21 THR 110 1HG2 THR 110 1.320 13.915 4.529 749 HG22 THR 110 2HG2 THR 110 1.421 14.222 6.263 750 HG23 THR 110 3HG2 THR 110 1.238 12.572 5.669 751 H SER 111 H SER 111 5.670 11.049 4.825 752 HA SER 111 HA SER 111 7.429 12.626 3.091 753 HB2 SER 111 1HB SER 111 9.193 12.455 4.891 754 HB3 SER 111 2HB SER 111 7.836 13.509 5.288 755 HG SER 111 HG SER 111 6.934 11.575 6.372 756 HA PRO 112 HA PRO 112 8.940 8.822 1.432 757 HB2 PRO 112 1HB PRO 112 11.673 9.823 2.104 758 HB3 PRO 112 2HB PRO 112 11.056 9.176 0.578 759 HG2 PRO 112 1HG PRO 112 11.392 11.790 0.873 760 HG3 PRO 112 2HG PRO 112 9.969 11.158 0.028 761 HD2 PRO 112 1HD PRO 112 10.191 12.291 2.780 762 HD3 PRO 112 2HD PRO 112 8.867 12.426 1.605 763 H ASP 113 H ASP 113 10.613 9.889 4.377 764 HA ASP 113 HA ASP 113 11.776 7.502 5.156 765 HB2 ASP 113 1HB ASP 113 10.717 9.806 6.784 766 HB3 ASP 113 2HB ASP 113 11.525 8.431 7.529 767 H GLU 114 H GLU 114 8.523 8.690 5.876 768 HA GLU 114 HA GLU 114 7.763 6.641 7.632 769 HB2 GLU 114 1HB GLU 114 6.040 8.265 5.754 770 HB3 GLU 114 2HB GLU 114 5.455 7.326 7.122 771 HG2 GLU 114 1HG GLU 114 6.619 8.747 8.663 772 HG3 GLU 114 2HG GLU 114 7.380 9.625 7.338 773 H ALA 115 H ALA 115 7.322 6.960 4.125 774 HA ALA 115 HA ALA 115 5.917 4.577 3.701 775 HB1 ALA 115 1HB ALA 115 7.825 5.965 1.819 776 HB2 ALA 115 2HB ALA 115 6.114 6.345 2.014 777 HB3 ALA 115 3HB ALA 115 6.601 4.777 1.369 778 H LYS 116 H LYS 116 9.390 5.250 3.552 779 HA LYS 116 HA LYS 116 10.282 2.669 2.926 780 HB2 LYS 116 1HB LYS 116 11.636 4.837 4.548 781 HB3 LYS 116 2HB LYS 116 12.443 3.420 3.891 782 HG2 LYS 116 1HG LYS 116 12.108 4.149 1.664 783 HG3 LYS 116 2HG LYS 116 10.994 5.415 2.177 784 HD2 LYS 116 1HD LYS 116 13.123 6.400 1.623 785 HD3 LYS 116 2HD LYS 116 12.856 6.529 3.359 786 HE2 LYS 116 1HE LYS 116 14.396 4.217 2.256 787 HE3 LYS 116 2HE LYS 116 15.180 5.784 2.433 788 HZ1 LYS 116 1HZ LYS 116 15.565 4.454 4.376 789 HZ2 LYS 116 2HZ LYS 116 13.913 4.194 4.597 790 HZ3 LYS 116 3HZ LYS 116 14.556 5.745 4.796 791 H ARG 117 H ARG 117 9.733 4.252 6.034 792 HA ARG 117 HA ARG 117 10.641 2.193 7.703 793 HB2 ARG 117 1HB ARG 117 10.232 4.484 8.474 794 HB3 ARG 117 2HB ARG 117 8.509 4.280 8.204 795 HG2 ARG 117 1HG ARG 117 8.977 4.080 10.546 796 HG3 ARG 117 2HG ARG 117 8.487 2.503 9.920 797 HD2 ARG 117 1HD ARG 117 10.385 2.296 11.429 798 HD3 ARG 117 2HD ARG 117 10.825 1.822 9.792 799 HE ARG 117 HE ARG 117 11.423 4.558 10.234 800 HH11 ARG 117 1HH1 ARG 117 12.559 1.348 11.057 801 HH12 ARG 117 2HH1 ARG 117 14.219 1.838 11.188 802 HH21 ARG 117 1HH2 ARG 117 13.607 5.195 10.408 803 HH22 ARG 117 2HH2 ARG 117 14.809 4.020 10.836 804 H TRP 118 H TRP 118 7.363 2.945 6.548 805 HA TRP 118 HA TRP 118 6.108 0.850 7.952 806 HB2 TRP 118 1HB TRP 118 5.239 2.423 5.529 807 HB3 TRP 118 2HB TRP 118 4.218 1.220 6.305 808 HD1 TRP 118 HD1 TRP 118 4.231 4.684 6.140 809 HE1 TRP 118 HE1 TRP 118 3.472 5.845 8.306 810 HE3 TRP 118 HE3 TRP 118 4.850 0.797 9.415 811 HZ2 TRP 118 HZ2 TRP 118 3.181 5.202 11.032 812 HZ3 TRP 118 HZ3 TRP 118 4.310 1.161 11.783 813 HH2 TRP 118 HH2 TRP 118 3.492 3.319 12.574 814 H ILE 119 H ILE 119 7.361 1.040 4.639 815 HA ILE 119 HA ILE 119 6.401 -1.496 3.839 816 HB ILE 119 HB ILE 119 8.670 0.185 2.782 817 HG12 ILE 119 1HG1 ILE 119 5.878 -0.397 1.770 818 HG13 ILE 119 2HG1 ILE 119 6.435 1.118 2.471 819 HG21 ILE 119 1HG2 ILE 119 7.530 -2.343 1.595 820 HG22 ILE 119 2HG2 ILE 119 9.134 -2.170 2.307 821 HG23 ILE 119 3HG2 ILE 119 8.722 -1.289 0.836 822 HD11 ILE 119 1HD1 ILE 119 6.285 1.254 0.052 823 HD12 ILE 119 2HD1 ILE 119 7.411 -0.094 -0.102 824 HD13 ILE 119 3HD1 ILE 119 7.953 1.432 0.595 825 H LYS 120 H LYS 120 9.479 -0.448 5.257 826 HA LYS 120 HA LYS 120 10.701 -3.003 5.072 827 HB2 LYS 120 1HB LYS 120 11.702 -0.588 5.540 828 HB3 LYS 120 2HB LYS 120 11.511 -1.094 7.214 829 HG2 LYS 120 1HG LYS 120 12.900 -3.032 6.824 830 HG3 LYS 120 2HG LYS 120 13.037 -2.619 5.115 831 HD2 LYS 120 1HD LYS 120 14.043 -0.418 5.881 832 HD3 LYS 120 2HD LYS 120 14.158 -1.147 7.483 833 HE2 LYS 120 1HE LYS 120 16.259 -1.445 6.396 834 HE3 LYS 120 2HE LYS 120 15.456 -3.013 6.458 835 HZ1 LYS 120 1HZ LYS 120 14.744 -2.675 4.159 836 HZ2 LYS 120 2HZ LYS 120 16.425 -2.653 4.297 837 HZ3 LYS 120 3HZ LYS 120 15.577 -1.204 4.105 838 H GLU 121 H GLU 121 8.630 -1.463 7.413 839 HA GLU 121 HA GLU 121 8.875 -3.379 9.495 840 HB2 GLU 121 1HB GLU 121 7.879 -1.092 9.728 841 HB3 GLU 121 2HB GLU 121 6.505 -1.630 8.781 842 HG2 GLU 121 1HG GLU 121 7.285 -2.942 11.364 843 HG3 GLU 121 2HG GLU 121 6.230 -1.535 11.298 844 H PHE 122 H PHE 122 6.731 -3.004 6.738 845 HA PHE 122 HA PHE 122 5.104 -5.266 7.181 846 HB2 PHE 122 1HB PHE 122 4.531 -3.356 5.713 847 HB3 PHE 122 2HB PHE 122 5.789 -3.857 4.593 848 HD1 PHE 122 HD1 PHE 122 5.286 -5.300 2.864 849 HD2 PHE 122 HD2 PHE 122 2.654 -5.038 6.197 850 HE1 PHE 122 HE1 PHE 122 3.654 -6.706 1.681 851 HE2 PHE 122 HE2 PHE 122 1.020 -6.448 5.020 852 HZ PHE 122 HZ PHE 122 1.521 -7.283 2.759 853 H SER 123 H SER 123 8.262 -4.848 5.908 854 HA SER 123 HA SER 123 8.416 -7.326 4.482 855 HB2 SER 123 1HB SER 123 10.624 -5.506 5.475 856 HB3 SER 123 2HB SER 123 10.801 -6.794 4.285 857 HG SER 123 HG SER 123 9.025 -4.606 3.948 858 H GLU 124 H GLU 124 8.334 -6.589 7.739 859 HA GLU 124 HA GLU 124 9.998 -8.908 8.438 860 HB2 GLU 124 1HB GLU 124 9.129 -6.585 10.164 861 HB3 GLU 124 2HB GLU 124 10.117 -7.936 10.703 862 HG2 GLU 124 1HG GLU 124 11.829 -7.298 9.046 863 HG3 GLU 124 2HG GLU 124 10.850 -5.897 8.615 864 H GLU 125 H GLU 125 9.077 -10.652 9.278 865 HA GLU 125 HA GLU 125 6.193 -10.698 9.584 866 HB2 GLU 125 1HB GLU 125 7.350 -12.505 8.364 867 HB3 GLU 125 2HB GLU 125 8.235 -12.919 9.823 868 HG2 GLU 125 1HG GLU 125 6.474 -14.486 9.575 869 HG3 GLU 125 2HG GLU 125 6.055 -13.424 10.918 Start of MODEL 16 1 HA MET 21 HA MET 21 3.276 -15.051 2.605 2 HB2 MET 21 1HB MET 21 3.921 -14.666 4.889 3 HB3 MET 21 2HB MET 21 5.294 -13.689 4.392 4 HG2 MET 21 1HG MET 21 3.812 -11.965 3.568 5 HG3 MET 21 2HG MET 21 2.408 -12.957 3.953 6 HE1 MET 21 1HE MET 21 5.629 -12.737 6.179 7 HE2 MET 21 2HE MET 21 5.267 -11.345 7.198 8 HE3 MET 21 3HE MET 21 5.547 -11.125 5.473 9 H ARG 22 H ARG 22 2.639 -13.680 1.074 10 HA ARG 22 HA ARG 22 4.689 -12.273 -0.451 11 HB2 ARG 22 1HB ARG 22 2.902 -13.640 -1.579 12 HB3 ARG 22 2HB ARG 22 1.723 -12.466 -1.012 13 HG2 ARG 22 1HG ARG 22 2.794 -10.720 -2.308 14 HG3 ARG 22 2HG ARG 22 4.051 -11.847 -2.824 15 HD2 ARG 22 1HD ARG 22 2.204 -13.256 -3.815 16 HD3 ARG 22 2HD ARG 22 1.119 -11.903 -3.506 17 HE ARG 22 HE ARG 22 2.283 -10.619 -5.126 18 HH11 ARG 22 1HH1 ARG 22 3.420 -13.930 -4.887 19 HH12 ARG 22 2HH1 ARG 22 4.195 -13.913 -6.439 20 HH21 ARG 22 1HH2 ARG 22 3.291 -10.607 -7.191 21 HH22 ARG 22 2HH2 ARG 22 4.110 -12.039 -7.748 22 H LEU 23 H LEU 23 5.218 -10.290 0.191 23 HA LEU 23 HA LEU 23 3.212 -8.624 1.509 24 HB2 LEU 23 1HB LEU 23 6.167 -8.176 1.078 25 HB3 LEU 23 2HB LEU 23 5.106 -7.038 1.871 26 HG LEU 23 HG LEU 23 6.244 -8.128 3.603 27 HD11 LEU 23 1HD1 LEU 23 3.835 -7.935 3.977 28 HD12 LEU 23 2HD1 LEU 23 4.530 -9.317 4.822 29 HD13 LEU 23 3HD1 LEU 23 3.611 -9.564 3.337 30 HD21 LEU 23 1HD2 LEU 23 6.479 -10.536 3.812 31 HD22 LEU 23 2HD2 LEU 23 7.165 -9.974 2.289 32 HD23 LEU 23 3HD2 LEU 23 5.591 -10.770 2.307 33 H VAL 24 H VAL 24 2.030 -7.300 0.357 34 HA VAL 24 HA VAL 24 3.087 -6.343 -2.228 35 HB VAL 24 HB VAL 24 0.184 -6.692 -1.463 36 HG11 VAL 24 1HG1 VAL 24 0.575 -4.935 -3.110 37 HG12 VAL 24 2HG1 VAL 24 -0.257 -6.312 -3.831 38 HG13 VAL 24 3HG1 VAL 24 1.467 -6.074 -4.120 39 HG21 VAL 24 1HG2 VAL 24 0.168 -8.611 -2.973 40 HG22 VAL 24 2HG2 VAL 24 1.298 -8.859 -1.643 41 HG23 VAL 24 3HG2 VAL 24 1.901 -8.421 -3.241 42 H VAL 25 H VAL 25 3.096 -4.177 -2.588 43 HA VAL 25 HA VAL 25 1.989 -2.484 -0.441 44 HB VAL 25 HB VAL 25 4.524 -1.923 -1.987 45 HG11 VAL 25 1HG1 VAL 25 3.347 -0.609 0.455 46 HG12 VAL 25 2HG1 VAL 25 3.386 0.068 -1.173 47 HG13 VAL 25 3HG1 VAL 25 4.890 -0.202 -0.294 48 HG21 VAL 25 1HG2 VAL 25 4.219 -2.983 0.822 49 HG22 VAL 25 2HG2 VAL 25 5.735 -2.487 0.066 50 HG23 VAL 25 3HG2 VAL 25 4.847 -3.875 -0.564 51 H LEU 26 H LEU 26 0.544 -1.064 -1.103 52 HA LEU 26 HA LEU 26 0.551 -0.204 -3.924 53 HB2 LEU 26 1HB LEU 26 -1.607 -0.858 -2.016 54 HB3 LEU 26 2HB LEU 26 -1.879 0.574 -2.982 55 HG LEU 26 HG LEU 26 -2.958 -1.264 -4.050 56 HD11 LEU 26 1HD1 LEU 26 -1.910 -1.266 -6.235 57 HD12 LEU 26 2HD1 LEU 26 -0.418 -0.637 -5.539 58 HD13 LEU 26 3HD1 LEU 26 -1.881 0.349 -5.523 59 HD21 LEU 26 1HD2 LEU 26 -1.682 -3.089 -3.028 60 HD22 LEU 26 2HD2 LEU 26 -0.311 -2.705 -4.070 61 HD23 LEU 26 3HD2 LEU 26 -1.827 -3.274 -4.778 62 H ILE 27 H ILE 27 1.159 1.844 -4.270 63 HA ILE 27 HA ILE 27 1.026 3.749 -2.002 64 HB ILE 27 HB ILE 27 2.829 3.938 -4.420 65 HG12 ILE 27 1HG1 ILE 27 3.361 1.945 -2.982 66 HG13 ILE 27 2HG1 ILE 27 4.661 3.124 -3.111 67 HG21 ILE 27 1HG2 ILE 27 2.819 5.424 -1.806 68 HG22 ILE 27 2HG2 ILE 27 2.363 6.064 -3.385 69 HG23 ILE 27 3HG2 ILE 27 4.035 5.597 -3.072 70 HD11 ILE 27 1HD1 ILE 27 4.024 4.023 -0.916 71 HD12 ILE 27 2HD1 ILE 27 4.484 2.320 -0.855 72 HD13 ILE 27 3HD1 ILE 27 2.783 2.777 -0.794 73 H VAL 28 H VAL 28 -0.566 5.302 -2.281 74 HA VAL 28 HA VAL 28 -1.205 6.052 -5.055 75 HB VAL 28 HB VAL 28 -3.143 7.324 -4.011 76 HG11 VAL 28 1HG1 VAL 28 -3.050 4.337 -3.682 77 HG12 VAL 28 2HG1 VAL 28 -3.426 5.210 -5.167 78 HG13 VAL 28 3HG1 VAL 28 -4.513 5.317 -3.782 79 HG21 VAL 28 1HG2 VAL 28 -2.317 7.399 -1.717 80 HG22 VAL 28 2HG2 VAL 28 -2.415 5.640 -1.618 81 HG23 VAL 28 3HG2 VAL 28 -3.886 6.597 -1.803 82 H SER 29 H SER 29 0.390 7.399 -5.600 83 HA SER 29 HA SER 29 0.239 10.098 -4.833 84 HB2 SER 29 1HB SER 29 1.381 9.199 -2.791 85 HB3 SER 29 2HB SER 29 2.700 8.647 -3.822 86 HG SER 29 HG SER 29 2.985 10.743 -2.766 87 H ASN 30 H ASN 30 1.284 11.354 -6.405 88 HA ASN 30 HA ASN 30 3.209 9.880 -8.082 89 HB2 ASN 30 1HB ASN 30 1.652 12.403 -8.708 90 HB3 ASN 30 2HB ASN 30 2.881 11.706 -9.754 91 HD21 ASN 30 1HD2 ASN 30 2.031 8.950 -9.110 92 HD22 ASN 30 2HD2 ASN 30 0.570 8.706 -10.000 93 H ASP 31 H ASP 31 4.769 10.137 -6.433 94 HA ASP 31 HA ASP 31 6.019 12.799 -6.466 95 HB2 ASP 31 1HB ASP 31 5.075 12.300 -4.227 96 HB3 ASP 31 2HB ASP 31 6.049 10.835 -4.164 97 H LYS 32 H LYS 32 8.101 12.832 -7.090 98 HA LYS 32 HA LYS 32 9.165 10.552 -8.360 99 HB2 LYS 32 1HB LYS 32 10.511 13.145 -7.606 100 HB3 LYS 32 2HB LYS 32 11.201 11.924 -8.665 101 HG2 LYS 32 1HG LYS 32 8.645 13.431 -9.190 102 HG3 LYS 32 2HG LYS 32 10.216 13.807 -9.898 103 HD2 LYS 32 1HD LYS 32 10.263 11.570 -10.925 104 HD3 LYS 32 2HD LYS 32 8.669 11.239 -10.250 105 HE2 LYS 32 1HE LYS 32 8.483 11.901 -12.579 106 HE3 LYS 32 2HE LYS 32 7.745 13.112 -11.532 107 HZ1 LYS 32 1HZ LYS 32 9.672 14.498 -11.772 108 HZ2 LYS 32 2HZ LYS 32 9.115 14.076 -13.312 109 HZ3 LYS 32 3HZ LYS 32 10.480 13.312 -12.669 110 H LYS 33 H LYS 33 9.695 11.918 -5.164 111 HA LYS 33 HA LYS 33 12.008 10.263 -4.691 112 HB2 LYS 33 1HB LYS 33 11.888 12.441 -3.615 113 HB3 LYS 33 2HB LYS 33 10.394 11.988 -2.807 114 HG2 LYS 33 1HG LYS 33 12.246 11.861 -1.263 115 HG3 LYS 33 2HG LYS 33 11.605 10.246 -1.570 116 HD2 LYS 33 1HD LYS 33 13.419 9.854 -3.187 117 HD3 LYS 33 2HD LYS 33 14.067 11.455 -2.829 118 HE2 LYS 33 1HE LYS 33 13.777 9.166 -0.888 119 HE3 LYS 33 2HE LYS 33 15.280 9.741 -1.607 120 HZ1 LYS 33 1HZ LYS 33 15.049 10.606 0.599 121 HZ2 LYS 33 2HZ LYS 33 13.531 11.250 0.253 122 HZ3 LYS 33 3HZ LYS 33 14.906 11.883 -0.500 123 H LEU 34 H LEU 34 8.737 10.445 -3.293 124 HA LEU 34 HA LEU 34 8.906 8.251 -1.606 125 HB2 LEU 34 1HB LEU 34 7.055 9.820 -1.527 126 HB3 LEU 34 2HB LEU 34 6.515 9.301 -3.111 127 HG LEU 34 HG LEU 34 6.150 7.007 -2.107 128 HD11 LEU 34 1HD1 LEU 34 7.494 7.204 -0.129 129 HD12 LEU 34 2HD1 LEU 34 5.810 6.935 0.324 130 HD13 LEU 34 3HD1 LEU 34 6.508 8.551 0.445 131 HD21 LEU 34 1HD2 LEU 34 4.522 9.294 -1.024 132 HD22 LEU 34 2HD2 LEU 34 4.003 7.611 -1.146 133 HD23 LEU 34 3HD2 LEU 34 4.329 8.542 -2.608 134 H ILE 35 H ILE 35 7.742 8.334 -4.962 135 HA ILE 35 HA ILE 35 7.029 5.633 -5.115 136 HB ILE 35 HB ILE 35 7.771 7.634 -7.235 137 HG12 ILE 35 1HG1 ILE 35 5.152 6.333 -6.452 138 HG13 ILE 35 2HG1 ILE 35 5.659 7.963 -6.017 139 HG21 ILE 35 1HG2 ILE 35 8.398 5.610 -8.256 140 HG22 ILE 35 2HG2 ILE 35 6.771 5.948 -8.850 141 HG23 ILE 35 3HG2 ILE 35 7.019 4.747 -7.584 142 HD11 ILE 35 1HD1 ILE 35 5.157 6.957 -8.806 143 HD12 ILE 35 2HD1 ILE 35 5.650 8.594 -8.369 144 HD13 ILE 35 3HD1 ILE 35 4.079 7.978 -7.857 145 H GLU 36 H GLU 36 10.059 7.239 -6.151 146 HA GLU 36 HA GLU 36 11.200 4.829 -7.103 147 HB2 GLU 36 1HB GLU 36 12.523 7.414 -6.302 148 HB3 GLU 36 2HB GLU 36 13.337 6.083 -7.115 149 HG2 GLU 36 1HG GLU 36 11.075 7.746 -8.183 150 HG3 GLU 36 2HG GLU 36 12.746 7.719 -8.747 151 H GLU 37 H GLU 37 11.484 6.534 -4.001 152 HA GLU 37 HA GLU 37 13.523 4.837 -3.015 153 HB2 GLU 37 1HB GLU 37 13.108 7.051 -2.052 154 HB3 GLU 37 2HB GLU 37 11.534 6.516 -1.476 155 HG2 GLU 37 1HG GLU 37 12.466 5.119 0.138 156 HG3 GLU 37 2HG GLU 37 14.048 5.123 -0.640 157 H ALA 38 H ALA 38 9.987 4.812 -2.626 158 HA ALA 38 HA ALA 38 9.835 2.508 -1.017 159 HB1 ALA 38 1HB ALA 38 7.512 2.360 -1.738 160 HB2 ALA 38 2HB ALA 38 7.832 3.489 -3.054 161 HB3 ALA 38 3HB ALA 38 7.937 4.034 -1.381 162 H ARG 39 H ARG 39 9.892 2.968 -4.506 163 HA ARG 39 HA ARG 39 9.626 0.322 -5.355 164 HB2 ARG 39 1HB ARG 39 9.522 2.196 -6.891 165 HB3 ARG 39 2HB ARG 39 11.185 2.627 -6.536 166 HG2 ARG 39 1HG ARG 39 11.104 1.579 -8.671 167 HG3 ARG 39 2HG ARG 39 11.907 0.487 -7.544 168 HD2 ARG 39 1HD ARG 39 9.994 -0.902 -7.392 169 HD3 ARG 39 2HD ARG 39 8.980 0.288 -8.212 170 HE ARG 39 HE ARG 39 10.556 -0.150 -10.179 171 HH11 ARG 39 1HH1 ARG 39 9.675 -2.580 -7.816 172 HH12 ARG 39 2HH1 ARG 39 9.839 -3.897 -8.925 173 HH21 ARG 39 1HH2 ARG 39 10.775 -1.886 -11.638 174 HH22 ARG 39 2HH2 ARG 39 10.469 -3.506 -11.096 175 H LYS 40 H LYS 40 12.554 2.170 -4.533 176 HA LYS 40 HA LYS 40 14.429 0.159 -5.076 177 HB2 LYS 40 1HB LYS 40 14.548 2.421 -3.075 178 HB3 LYS 40 2HB LYS 40 15.923 1.426 -3.524 179 HG2 LYS 40 1HG LYS 40 14.366 3.238 -5.358 180 HG3 LYS 40 2HG LYS 40 15.970 3.546 -4.692 181 HD2 LYS 40 1HD LYS 40 16.760 1.479 -5.855 182 HD3 LYS 40 2HD LYS 40 15.179 1.378 -6.631 183 HE2 LYS 40 1HE LYS 40 16.697 2.447 -8.147 184 HE3 LYS 40 2HE LYS 40 15.552 3.651 -7.560 185 HZ1 LYS 40 1HZ LYS 40 17.224 4.431 -5.999 186 HZ2 LYS 40 2HZ LYS 40 17.808 4.510 -7.583 187 HZ3 LYS 40 3HZ LYS 40 18.320 3.270 -6.556 188 H MET 41 H MET 41 12.599 0.890 -2.150 189 HA MET 41 HA MET 41 13.906 -0.985 -0.475 190 HB2 MET 41 1HB MET 41 11.119 0.170 -0.290 191 HB3 MET 41 2HB MET 41 11.904 -0.756 0.979 192 HG2 MET 41 1HG MET 41 12.830 1.895 -0.102 193 HG3 MET 41 2HG MET 41 11.985 1.633 1.419 194 HE1 MET 41 1HE MET 41 15.291 2.217 -0.183 195 HE2 MET 41 2HE MET 41 15.227 0.502 -0.589 196 HE3 MET 41 3HE MET 41 16.423 1.091 0.563 197 H ALA 42 H ALA 42 10.839 -1.136 -2.257 198 HA ALA 42 HA ALA 42 10.158 -3.752 -1.496 199 HB1 ALA 42 1HB ALA 42 9.376 -2.271 -4.002 200 HB2 ALA 42 2HB ALA 42 8.552 -2.171 -2.447 201 HB3 ALA 42 3HB ALA 42 8.569 -3.691 -3.341 202 H GLU 43 H GLU 43 11.958 -2.522 -4.284 203 HA GLU 43 HA GLU 43 12.211 -4.977 -5.642 204 HB2 GLU 43 1HB GLU 43 12.638 -2.787 -6.682 205 HB3 GLU 43 2HB GLU 43 14.058 -2.584 -5.667 206 HG2 GLU 43 1HG GLU 43 15.072 -4.553 -6.728 207 HG3 GLU 43 2HG GLU 43 13.661 -4.695 -7.775 208 H LYS 44 H LYS 44 14.257 -3.375 -3.244 209 HA LYS 44 HA LYS 44 16.395 -5.206 -3.349 210 HB2 LYS 44 1HB LYS 44 16.594 -2.962 -2.375 211 HB3 LYS 44 2HB LYS 44 15.504 -3.419 -1.078 212 HG2 LYS 44 1HG LYS 44 17.859 -3.413 -0.389 213 HG3 LYS 44 2HG LYS 44 17.108 -4.999 -0.221 214 HD2 LYS 44 1HD LYS 44 19.365 -5.170 -1.148 215 HD3 LYS 44 2HD LYS 44 18.154 -5.726 -2.302 216 HE2 LYS 44 1HE LYS 44 19.774 -4.398 -3.468 217 HE3 LYS 44 2HE LYS 44 18.258 -3.506 -3.402 218 HZ1 LYS 44 1HZ LYS 44 19.142 -2.200 -1.576 219 HZ2 LYS 44 2HZ LYS 44 20.150 -2.086 -2.928 220 HZ3 LYS 44 3HZ LYS 44 20.594 -3.067 -1.624 221 H ALA 45 H ALA 45 13.369 -5.210 -1.590 222 HA ALA 45 HA ALA 45 14.175 -7.558 -0.061 223 HB1 ALA 45 1HB ALA 45 12.971 -5.820 1.119 224 HB2 ALA 45 2HB ALA 45 12.017 -7.301 1.075 225 HB3 ALA 45 3HB ALA 45 11.621 -5.963 -0.003 226 H ASN 46 H ASN 46 13.126 -7.047 -3.067 227 HA ASN 46 HA ASN 46 12.086 -8.212 -4.691 228 HB2 ASN 46 1HB ASN 46 12.661 -10.482 -2.789 229 HB3 ASN 46 2HB ASN 46 11.929 -10.730 -4.371 230 HD21 ASN 46 1HD2 ASN 46 13.598 -11.866 -5.245 231 HD22 ASN 46 2HD2 ASN 46 15.148 -11.178 -5.584 232 H LEU 47 H LEU 47 10.424 -6.831 -2.990 233 HA LEU 47 HA LEU 47 8.103 -8.577 -2.597 234 HB2 LEU 47 1HB LEU 47 8.557 -5.708 -1.772 235 HB3 LEU 47 2HB LEU 47 7.124 -6.651 -1.406 236 HG LEU 47 HG LEU 47 9.913 -7.080 -0.352 237 HD11 LEU 47 1HD1 LEU 47 7.303 -6.398 0.985 238 HD12 LEU 47 2HD1 LEU 47 8.680 -5.321 0.752 239 HD13 LEU 47 3HD1 LEU 47 8.823 -6.721 1.816 240 HD21 LEU 47 1HD2 LEU 47 7.477 -8.835 -0.128 241 HD22 LEU 47 2HD2 LEU 47 8.860 -8.945 0.960 242 HD23 LEU 47 3HD2 LEU 47 9.065 -9.262 -0.763 243 H GLU 48 H GLU 48 5.959 -7.271 -3.066 244 HA GLU 48 HA GLU 48 6.191 -6.431 -5.876 245 HB2 GLU 48 1HB GLU 48 5.016 -8.557 -5.506 246 HB3 GLU 48 2HB GLU 48 3.894 -7.753 -4.422 247 HG2 GLU 48 1HG GLU 48 2.909 -6.541 -6.184 248 HG3 GLU 48 2HG GLU 48 4.200 -6.976 -7.303 249 H LEU 49 H LEU 49 5.976 -4.305 -6.104 250 HA LEU 49 HA LEU 49 4.019 -2.904 -4.413 251 HB2 LEU 49 1HB LEU 49 6.369 -2.491 -3.691 252 HB3 LEU 49 2HB LEU 49 6.711 -1.836 -5.278 253 HG LEU 49 HG LEU 49 4.548 -0.610 -3.596 254 HD11 LEU 49 1HD1 LEU 49 7.493 0.009 -3.414 255 HD12 LEU 49 2HD1 LEU 49 6.523 -0.762 -2.159 256 HD13 LEU 49 3HD1 LEU 49 6.190 0.904 -2.632 257 HD21 LEU 49 1HD2 LEU 49 4.784 0.098 -5.936 258 HD22 LEU 49 2HD2 LEU 49 6.466 0.531 -5.630 259 HD23 LEU 49 3HD2 LEU 49 5.170 1.403 -4.815 260 H ILE 50 H ILE 50 2.582 -1.741 -5.482 261 HA ILE 50 HA ILE 50 3.175 -0.991 -8.268 262 HB ILE 50 HB ILE 50 0.539 -1.902 -7.106 263 HG12 ILE 50 1HG1 ILE 50 2.295 -2.994 -9.314 264 HG13 ILE 50 2HG1 ILE 50 2.029 -3.722 -7.735 265 HG21 ILE 50 1HG2 ILE 50 -0.439 -1.468 -9.307 266 HG22 ILE 50 2HG2 ILE 50 1.086 -0.764 -9.845 267 HG23 ILE 50 3HG2 ILE 50 0.160 0.014 -8.561 268 HD11 ILE 50 1HD1 ILE 50 0.750 -4.889 -9.394 269 HD12 ILE 50 2HD1 ILE 50 -0.003 -3.386 -9.926 270 HD13 ILE 50 3HD1 ILE 50 -0.347 -4.022 -8.320 271 H THR 51 H THR 51 3.001 1.112 -8.732 272 HA THR 51 HA THR 51 2.022 2.885 -6.642 273 HB THR 51 HB THR 51 2.954 4.686 -8.201 274 HG1 THR 51 HG1 THR 51 3.588 3.962 -10.079 275 HG21 THR 51 1HG2 THR 51 4.849 2.623 -7.079 276 HG22 THR 51 2HG2 THR 51 4.070 3.906 -6.156 277 HG23 THR 51 3HG2 THR 51 5.225 4.310 -7.421 278 H VAL 52 H VAL 52 0.334 4.209 -6.829 279 HA VAL 52 HA VAL 52 -1.338 4.023 -9.246 280 HB VAL 52 HB VAL 52 -2.130 3.629 -6.353 281 HG11 VAL 52 1HG1 VAL 52 -3.705 5.219 -7.458 282 HG12 VAL 52 2HG1 VAL 52 -4.447 3.698 -6.938 283 HG13 VAL 52 3HG1 VAL 52 -4.065 3.952 -8.640 284 HG21 VAL 52 1HG2 VAL 52 -2.592 1.951 -8.815 285 HG22 VAL 52 2HG2 VAL 52 -3.120 1.556 -7.180 286 HG23 VAL 52 3HG2 VAL 52 -1.399 1.640 -7.553 287 HA PRO 53 HA PRO 53 -1.897 8.523 -8.897 288 HB2 PRO 53 1HB PRO 53 -4.675 8.388 -9.360 289 HB3 PRO 53 2HB PRO 53 -3.424 8.682 -10.569 290 HG2 PRO 53 1HG PRO 53 -4.802 6.144 -9.843 291 HG3 PRO 53 2HG PRO 53 -4.256 6.710 -11.433 292 HD2 PRO 53 1HD PRO 53 -2.899 4.830 -10.132 293 HD3 PRO 53 2HD PRO 53 -2.035 6.112 -11.010 294 H GLY 54 H GLY 54 -3.231 9.970 -7.579 295 HA2 GLY 54 1HA GLY 54 -2.873 9.116 -4.927 296 HA3 GLY 54 2HA GLY 54 -3.512 10.667 -5.422 297 H SER 55 H SER 55 -5.545 8.468 -6.791 298 HA SER 55 HA SER 55 -7.622 8.960 -4.913 299 HB2 SER 55 1HB SER 55 -8.814 7.202 -6.386 300 HB3 SER 55 2HB SER 55 -8.305 8.708 -7.153 301 HG SER 55 HG SER 55 -6.524 6.543 -7.124 302 HA PRO 56 HA PRO 56 -6.275 5.886 -1.981 303 HB2 PRO 56 1HB PRO 56 -8.980 6.399 -0.868 304 HB3 PRO 56 2HB PRO 56 -7.402 6.474 -0.078 305 HG2 PRO 56 1HG PRO 56 -8.692 8.701 -0.708 306 HG3 PRO 56 2HG PRO 56 -6.936 8.583 -0.934 307 HD2 PRO 56 1HD PRO 56 -9.124 8.382 -2.968 308 HD3 PRO 56 2HD PRO 56 -7.557 9.211 -3.071 309 H GLU 57 H GLU 57 -9.683 5.690 -3.119 310 HA GLU 57 HA GLU 57 -9.988 2.996 -2.297 311 HB2 GLU 57 1HB GLU 57 -11.906 4.518 -2.736 312 HB3 GLU 57 2HB GLU 57 -11.543 4.435 -4.456 313 HG2 GLU 57 1HG GLU 57 -11.793 1.906 -4.204 314 HG3 GLU 57 2HG GLU 57 -12.533 2.261 -2.647 315 H GLU 58 H GLU 58 -8.790 4.474 -5.209 316 HA GLU 58 HA GLU 58 -9.067 2.382 -7.026 317 HB2 GLU 58 1HB GLU 58 -8.366 4.744 -7.520 318 HB3 GLU 58 2HB GLU 58 -6.772 4.343 -6.901 319 HG2 GLU 58 1HG GLU 58 -6.821 4.267 -9.322 320 HG3 GLU 58 2HG GLU 58 -6.499 2.671 -8.646 321 H ALA 59 H ALA 59 -6.389 3.110 -4.804 322 HA ALA 59 HA ALA 59 -4.825 0.877 -5.660 323 HB1 ALA 59 1HB ALA 59 -3.366 1.422 -3.791 324 HB2 ALA 59 2HB ALA 59 -4.566 2.559 -3.180 325 HB3 ALA 59 3HB ALA 59 -3.777 2.855 -4.729 326 H ILE 60 H ILE 60 -7.209 1.390 -3.142 327 HA ILE 60 HA ILE 60 -6.588 -0.998 -1.709 328 HB ILE 60 HB ILE 60 -9.158 0.597 -1.741 329 HG12 ILE 60 1HG1 ILE 60 -6.790 0.616 0.145 330 HG13 ILE 60 2HG1 ILE 60 -7.227 1.895 -0.983 331 HG21 ILE 60 1HG2 ILE 60 -9.521 -1.690 -0.960 332 HG22 ILE 60 2HG2 ILE 60 -9.664 -0.541 0.370 333 HG23 ILE 60 3HG2 ILE 60 -8.202 -1.512 0.197 334 HD11 ILE 60 1HD1 ILE 60 -9.277 2.299 0.253 335 HD12 ILE 60 2HD1 ILE 60 -7.865 2.439 1.301 336 HD13 ILE 60 3HD1 ILE 60 -8.873 0.993 1.365 337 H ARG 61 H ARG 61 -8.785 -0.175 -4.328 338 HA ARG 61 HA ARG 61 -9.970 -2.747 -4.556 339 HB2 ARG 61 1HB ARG 61 -9.661 -0.444 -6.475 340 HB3 ARG 61 2HB ARG 61 -10.485 -1.934 -6.917 341 HG2 ARG 61 1HG ARG 61 -12.214 -1.573 -5.404 342 HG3 ARG 61 2HG ARG 61 -11.283 -0.394 -4.480 343 HD2 ARG 61 1HD ARG 61 -13.078 0.614 -5.866 344 HD3 ARG 61 2HD ARG 61 -11.466 1.223 -6.232 345 HE ARG 61 HE ARG 61 -11.837 -0.791 -8.026 346 HH11 ARG 61 1HH1 ARG 61 -13.645 2.085 -7.156 347 HH12 ARG 61 2HH1 ARG 61 -14.254 2.334 -8.766 348 HH21 ARG 61 1HH2 ARG 61 -12.632 -0.453 -10.145 349 HH22 ARG 61 2HH2 ARG 61 -13.686 0.887 -10.460 350 H LEU 62 H LEU 62 -7.092 -1.245 -5.884 351 HA LEU 62 HA LEU 62 -6.292 -3.363 -7.586 352 HB2 LEU 62 1HB LEU 62 -5.403 -0.889 -7.247 353 HB3 LEU 62 2HB LEU 62 -4.314 -1.660 -6.116 354 HG LEU 62 HG LEU 62 -3.219 -1.351 -8.245 355 HD11 LEU 62 1HD1 LEU 62 -2.569 -3.321 -7.020 356 HD12 LEU 62 2HD1 LEU 62 -2.539 -3.647 -8.752 357 HD13 LEU 62 3HD1 LEU 62 -3.872 -4.247 -7.765 358 HD21 LEU 62 1HD2 LEU 62 -5.427 -3.023 -9.430 359 HD22 LEU 62 2HD2 LEU 62 -4.001 -2.433 -10.281 360 HD23 LEU 62 3HD2 LEU 62 -5.197 -1.292 -9.668 361 H ALA 63 H ALA 63 -5.616 -2.537 -4.227 362 HA ALA 63 HA ALA 63 -3.950 -4.666 -3.543 363 HB1 ALA 63 1HB ALA 63 -5.928 -3.151 -1.840 364 HB2 ALA 63 2HB ALA 63 -4.235 -2.733 -2.113 365 HB3 ALA 63 3HB ALA 63 -4.650 -4.200 -1.224 366 H GLN 64 H GLN 64 -7.486 -4.373 -3.332 367 HA GLN 64 HA GLN 64 -8.042 -6.911 -2.293 368 HB2 GLN 64 1HB GLN 64 -9.539 -4.745 -3.037 369 HB3 GLN 64 2HB GLN 64 -9.938 -5.886 -4.311 370 HG2 GLN 64 1HG GLN 64 -10.271 -6.325 -1.354 371 HG3 GLN 64 2HG GLN 64 -11.552 -6.008 -2.520 372 HE21 GLN 64 1HE2 GLN 64 -12.118 -7.626 -3.998 373 HE22 GLN 64 2HE2 GLN 64 -11.727 -9.288 -3.709 374 H GLU 65 H GLU 65 -7.620 -5.787 -5.609 375 HA GLU 65 HA GLU 65 -8.231 -8.127 -6.994 376 HB2 GLU 65 1HB GLU 65 -7.859 -5.894 -8.014 377 HB3 GLU 65 2HB GLU 65 -6.142 -6.052 -7.685 378 HG2 GLU 65 1HG GLU 65 -6.629 -6.539 -10.002 379 HG3 GLU 65 2HG GLU 65 -6.026 -7.974 -9.177 380 H ILE 66 H ILE 66 -5.094 -7.017 -5.704 381 HA ILE 66 HA ILE 66 -3.709 -9.358 -6.566 382 HB ILE 66 HB ILE 66 -2.910 -7.300 -4.504 383 HG12 ILE 66 1HG1 ILE 66 -2.187 -7.557 -7.434 384 HG13 ILE 66 2HG1 ILE 66 -3.308 -6.374 -6.760 385 HG21 ILE 66 1HG2 ILE 66 -0.616 -8.116 -4.922 386 HG22 ILE 66 2HG2 ILE 66 -1.281 -9.403 -5.926 387 HG23 ILE 66 3HG2 ILE 66 -1.654 -9.348 -4.204 388 HD11 ILE 66 1HD1 ILE 66 -0.373 -6.572 -6.125 389 HD12 ILE 66 2HD1 ILE 66 -1.498 -5.371 -5.488 390 HD13 ILE 66 3HD1 ILE 66 -1.123 -5.405 -7.211 391 H ALA 67 H ALA 67 -5.097 -8.328 -3.469 392 HA ALA 67 HA ALA 67 -3.957 -10.416 -1.927 393 HB1 ALA 67 1HB ALA 67 -5.433 -9.701 -0.162 394 HB2 ALA 67 2HB ALA 67 -6.423 -8.800 -1.309 395 HB3 ALA 67 3HB ALA 67 -4.769 -8.288 -0.979 396 H GLU 68 H GLU 68 -7.111 -10.050 -3.486 397 HA GLU 68 HA GLU 68 -8.211 -12.445 -2.416 398 HB2 GLU 68 1HB GLU 68 -9.523 -10.507 -3.305 399 HB3 GLU 68 2HB GLU 68 -9.021 -10.967 -4.925 400 HG2 GLU 68 1HG GLU 68 -10.184 -13.081 -4.714 401 HG3 GLU 68 2HG GLU 68 -10.637 -12.683 -3.055 402 H LYS 69 H LYS 69 -6.248 -11.679 -5.170 403 HA LYS 69 HA LYS 69 -6.553 -14.386 -6.252 404 HB2 LYS 69 1HB LYS 69 -5.362 -11.862 -7.399 405 HB3 LYS 69 2HB LYS 69 -5.239 -13.427 -8.188 406 HG2 LYS 69 1HG LYS 69 -7.856 -12.137 -7.466 407 HG3 LYS 69 2HG LYS 69 -7.066 -11.930 -9.027 408 HD2 LYS 69 1HD LYS 69 -7.673 -14.657 -7.920 409 HD3 LYS 69 2HD LYS 69 -8.882 -13.738 -8.811 410 HE2 LYS 69 1HE LYS 69 -7.774 -15.260 -10.310 411 HE3 LYS 69 2HE LYS 69 -7.329 -13.610 -10.725 412 HZ1 LYS 69 1HZ LYS 69 -5.203 -13.901 -9.768 413 HZ2 LYS 69 2HZ LYS 69 -5.475 -15.262 -10.729 414 HZ3 LYS 69 3HZ LYS 69 -5.630 -15.371 -9.052 415 H ALA 70 H ALA 70 -4.947 -13.505 -3.826 416 HA ALA 70 HA ALA 70 -2.219 -14.021 -4.681 417 HB1 ALA 70 1HB ALA 70 -3.296 -13.503 -1.919 418 HB2 ALA 70 2HB ALA 70 -2.650 -12.279 -3.011 419 HB3 ALA 70 3HB ALA 70 -1.598 -13.550 -2.386 420 HA PRO 71 HA PRO 71 -2.556 -18.298 -3.440 421 HB2 PRO 71 1HB PRO 71 -0.166 -19.092 -4.363 422 HB3 PRO 71 2HB PRO 71 -1.504 -18.722 -5.456 423 HG2 PRO 71 1HG PRO 71 0.914 -17.116 -4.809 424 HG3 PRO 71 2HG PRO 71 0.023 -17.242 -6.334 425 HD2 PRO 71 1HD PRO 71 -0.195 -15.176 -4.446 426 HD3 PRO 71 2HD PRO 71 -1.309 -15.491 -5.790 427 H GLY 72 H GLY 72 -2.468 -18.398 -1.245 428 HA2 GLY 72 1HA GLY 72 -1.246 -19.303 0.583 429 HA3 GLY 72 2HA GLY 72 0.220 -18.600 -0.083 430 HA PRO 73 HA PRO 73 -1.220 -15.914 3.452 431 HB2 PRO 73 1HB PRO 73 1.671 -15.896 4.031 432 HB3 PRO 73 2HB PRO 73 0.314 -16.243 5.106 433 HG2 PRO 73 1HG PRO 73 1.967 -18.179 4.269 434 HG3 PRO 73 2HG PRO 73 0.234 -18.472 4.507 435 HD2 PRO 73 1HD PRO 73 1.744 -18.001 1.961 436 HD3 PRO 73 2HD PRO 73 0.445 -19.165 2.302 437 H VAL 74 H VAL 74 -1.423 -13.809 3.046 438 HA VAL 74 HA VAL 74 0.714 -12.384 1.653 439 HB VAL 74 HB VAL 74 -0.787 -13.145 -0.122 440 HG11 VAL 74 1HG1 VAL 74 -3.112 -12.302 -0.220 441 HG12 VAL 74 2HG1 VAL 74 -2.933 -11.716 1.434 442 HG13 VAL 74 3HG1 VAL 74 -2.830 -13.444 1.094 443 HG21 VAL 74 1HG2 VAL 74 0.285 -10.977 -0.399 444 HG22 VAL 74 2HG2 VAL 74 -1.070 -10.189 0.409 445 HG23 VAL 74 3HG2 VAL 74 -1.312 -10.986 -1.146 446 H LYS 75 H LYS 75 0.845 -10.236 2.141 447 HA LYS 75 HA LYS 75 -1.276 -9.047 3.781 448 HB2 LYS 75 1HB LYS 75 1.690 -8.979 4.383 449 HB3 LYS 75 2HB LYS 75 0.509 -7.933 5.159 450 HG2 LYS 75 1HG LYS 75 0.419 -10.939 5.272 451 HG3 LYS 75 2HG LYS 75 1.175 -9.924 6.499 452 HD2 LYS 75 1HD LYS 75 -0.952 -8.833 6.941 453 HD3 LYS 75 2HD LYS 75 -1.716 -9.776 5.662 454 HE2 LYS 75 1HE LYS 75 -0.407 -10.993 8.082 455 HE3 LYS 75 2HE LYS 75 -2.126 -10.615 7.986 456 HZ1 LYS 75 1HZ LYS 75 -2.346 -12.137 6.141 457 HZ2 LYS 75 2HZ LYS 75 -1.644 -12.940 7.454 458 HZ3 LYS 75 3HZ LYS 75 -0.686 -12.455 6.154 459 H VAL 76 H VAL 76 -1.968 -7.275 2.786 460 HA VAL 76 HA VAL 76 -0.133 -5.965 0.896 461 HB VAL 76 HB VAL 76 -3.143 -5.739 0.933 462 HG11 VAL 76 1HG1 VAL 76 -2.085 -3.878 -0.157 463 HG12 VAL 76 2HG1 VAL 76 -2.787 -4.928 -1.389 464 HG13 VAL 76 3HG1 VAL 76 -1.051 -4.957 -1.091 465 HG21 VAL 76 1HG2 VAL 76 -2.625 -8.036 0.480 466 HG22 VAL 76 2HG2 VAL 76 -1.373 -7.579 -0.672 467 HG23 VAL 76 3HG2 VAL 76 -3.066 -7.259 -1.041 468 H LEU 77 H LEU 77 0.559 -4.019 1.324 469 HA LEU 77 HA LEU 77 -0.730 -2.489 3.476 470 HB2 LEU 77 1HB LEU 77 1.627 -3.154 3.820 471 HB3 LEU 77 2HB LEU 77 2.070 -2.294 2.359 472 HG LEU 77 HG LEU 77 1.301 -0.179 3.431 473 HD11 LEU 77 1HD1 LEU 77 0.979 -0.162 5.853 474 HD12 LEU 77 2HD1 LEU 77 1.068 -1.923 5.876 475 HD13 LEU 77 3HD1 LEU 77 -0.259 -1.116 5.037 476 HD21 LEU 77 1HD2 LEU 77 3.235 0.047 4.893 477 HD22 LEU 77 2HD2 LEU 77 3.658 -0.823 3.418 478 HD23 LEU 77 3HD2 LEU 77 3.425 -1.705 4.927 479 H VAL 78 H VAL 78 -1.911 -0.807 2.846 480 HA VAL 78 HA VAL 78 -1.329 0.421 0.237 481 HB VAL 78 HB VAL 78 -3.864 0.629 1.873 482 HG11 VAL 78 1HG1 VAL 78 -4.828 1.638 -0.131 483 HG12 VAL 78 2HG1 VAL 78 -3.268 1.535 -0.943 484 HG13 VAL 78 3HG1 VAL 78 -3.464 2.586 0.461 485 HG21 VAL 78 1HG2 VAL 78 -3.546 -1.628 1.021 486 HG22 VAL 78 2HG2 VAL 78 -3.281 -0.992 -0.602 487 HG23 VAL 78 3HG2 VAL 78 -4.859 -0.819 0.166 488 H LEU 79 H LEU 79 -0.414 2.335 0.209 489 HA LEU 79 HA LEU 79 -0.330 3.891 2.706 490 HB2 LEU 79 1HB LEU 79 1.539 3.799 0.340 491 HB3 LEU 79 2HB LEU 79 1.650 5.008 1.597 492 HG LEU 79 HG LEU 79 3.307 3.341 2.000 493 HD11 LEU 79 1HD1 LEU 79 1.029 2.937 3.926 494 HD12 LEU 79 2HD1 LEU 79 2.198 4.256 3.968 495 HD13 LEU 79 3HD1 LEU 79 2.732 2.598 4.234 496 HD21 LEU 79 1HD2 LEU 79 2.378 1.501 0.739 497 HD22 LEU 79 2HD2 LEU 79 1.086 1.311 1.923 498 HD23 LEU 79 3HD2 LEU 79 2.757 0.986 2.382 499 H ILE 80 H ILE 80 -1.952 5.355 2.633 500 HA ILE 80 HA ILE 80 -2.413 6.832 0.168 501 HB ILE 80 HB ILE 80 -4.199 8.017 1.440 502 HG12 ILE 80 1HG1 ILE 80 -3.499 6.032 3.616 503 HG13 ILE 80 2HG1 ILE 80 -3.310 7.780 3.703 504 HG21 ILE 80 1HG2 ILE 80 -4.349 5.009 1.381 505 HG22 ILE 80 2HG2 ILE 80 -4.736 6.112 0.062 506 HG23 ILE 80 3HG2 ILE 80 -5.732 6.093 1.516 507 HD11 ILE 80 1HD1 ILE 80 -5.730 8.048 3.545 508 HD12 ILE 80 2HD1 ILE 80 -5.271 7.050 4.924 509 HD13 ILE 80 3HD1 ILE 80 -5.915 6.296 3.466 510 H THR 81 H THR 81 -1.407 8.670 -0.286 511 HA THR 81 HA THR 81 0.399 9.705 1.766 512 HB THR 81 HB THR 81 0.411 10.344 -1.187 513 HG1 THR 81 HG1 THR 81 0.757 8.019 -0.340 514 HG21 THR 81 1HG2 THR 81 1.641 11.920 0.242 515 HG22 THR 81 2HG2 THR 81 2.736 10.980 -0.772 516 HG23 THR 81 3HG2 THR 81 2.549 10.578 0.936 517 H GLY 82 H GLY 82 -0.010 11.524 2.791 518 HA2 GLY 82 1HA GLY 82 -0.377 13.900 2.710 519 HA3 GLY 82 2HA GLY 82 -1.509 13.637 1.392 520 H SER 83 H SER 83 -3.159 14.760 2.421 521 HA SER 83 HA SER 83 -4.247 13.454 4.817 522 HB2 SER 83 1HB SER 83 -4.829 16.229 3.754 523 HB3 SER 83 2HB SER 83 -5.427 15.542 5.267 524 HG SER 83 HG SER 83 -2.705 15.399 5.010 525 H ALA 84 H ALA 84 -5.635 11.944 4.180 526 HA ALA 84 HA ALA 84 -7.067 11.798 1.817 527 HB1 ALA 84 1HB ALA 84 -8.485 10.170 2.947 528 HB2 ALA 84 2HB ALA 84 -7.881 10.711 4.512 529 HB3 ALA 84 3HB ALA 84 -6.792 9.924 3.371 530 H ASP 85 H ASP 85 -8.729 12.884 1.027 531 HA ASP 85 HA ASP 85 -9.932 15.042 2.411 532 HB2 ASP 85 1HB ASP 85 -10.867 13.644 -0.109 533 HB3 ASP 85 2HB ASP 85 -11.403 15.224 0.449 534 HA PRO 86 HA PRO 86 -12.999 13.380 5.022 535 HB2 PRO 86 1HB PRO 86 -14.931 15.018 3.426 536 HB3 PRO 86 2HB PRO 86 -14.774 14.862 5.181 537 HG2 PRO 86 1HG PRO 86 -13.791 16.987 3.925 538 HG3 PRO 86 2HG PRO 86 -12.910 16.240 5.270 539 HD2 PRO 86 1HD PRO 86 -12.330 16.176 2.360 540 HD3 PRO 86 2HD PRO 86 -11.220 16.060 3.739 541 H ASP 87 H ASP 87 -14.318 13.693 1.705 542 HA ASP 87 HA ASP 87 -16.071 11.458 2.053 543 HB2 ASP 87 1HB ASP 87 -16.628 13.301 0.524 544 HB3 ASP 87 2HB ASP 87 -15.239 12.895 -0.477 545 H GLU 88 H GLU 88 -12.957 11.964 0.508 546 HA GLU 88 HA GLU 88 -12.742 9.422 -0.721 547 HB2 GLU 88 1HB GLU 88 -10.638 11.410 0.136 548 HB3 GLU 88 2HB GLU 88 -10.304 9.975 -0.825 549 HG2 GLU 88 1HG GLU 88 -12.191 12.169 -1.642 550 HG3 GLU 88 2HG GLU 88 -10.507 12.050 -2.152 551 H LYS 89 H LYS 89 -11.941 10.627 2.467 552 HA LYS 89 HA LYS 89 -10.403 8.420 3.318 553 HB2 LYS 89 1HB LYS 89 -10.507 10.658 4.447 554 HB3 LYS 89 2HB LYS 89 -12.107 10.230 5.037 555 HG2 LYS 89 1HG LYS 89 -11.221 8.441 6.349 556 HG3 LYS 89 2HG LYS 89 -9.624 8.636 5.628 557 HD2 LYS 89 1HD LYS 89 -9.383 9.706 7.664 558 HD3 LYS 89 2HD LYS 89 -9.757 11.042 6.579 559 HE2 LYS 89 1HE LYS 89 -11.786 9.618 8.297 560 HE3 LYS 89 2HE LYS 89 -10.969 11.106 8.758 561 HZ1 LYS 89 1HZ LYS 89 -11.933 12.107 6.696 562 HZ2 LYS 89 2HZ LYS 89 -13.061 11.695 7.883 563 HZ3 LYS 89 3HZ LYS 89 -12.874 10.710 6.525 564 H THR 90 H THR 90 -13.866 9.147 3.538 565 HA THR 90 HA THR 90 -14.529 6.702 4.843 566 HB THR 90 HB THR 90 -16.366 8.434 3.180 567 HG1 THR 90 HG1 THR 90 -16.687 9.631 5.043 568 HG21 THR 90 1HG2 THR 90 -17.271 6.242 3.825 569 HG22 THR 90 2HG2 THR 90 -18.102 7.551 4.663 570 HG23 THR 90 3HG2 THR 90 -16.896 6.586 5.513 571 H LYS 91 H LYS 91 -14.260 7.766 1.516 572 HA LYS 91 HA LYS 91 -15.432 5.559 0.233 573 HB2 LYS 91 1HB LYS 91 -14.629 7.807 -0.758 574 HB3 LYS 91 2HB LYS 91 -13.043 7.054 -0.838 575 HG2 LYS 91 1HG LYS 91 -14.067 6.842 -2.975 576 HG3 LYS 91 2HG LYS 91 -14.052 5.243 -2.225 577 HD2 LYS 91 1HD LYS 91 -16.382 5.541 -1.545 578 HD3 LYS 91 2HD LYS 91 -16.397 7.142 -2.282 579 HE2 LYS 91 1HE LYS 91 -15.967 6.134 -4.469 580 HE3 LYS 91 2HE LYS 91 -15.946 4.534 -3.728 581 HZ1 LYS 91 1HZ LYS 91 -18.240 4.811 -3.095 582 HZ2 LYS 91 2HZ LYS 91 -18.085 5.057 -4.760 583 HZ3 LYS 91 3HZ LYS 91 -18.271 6.379 -3.724 584 H ALA 92 H ALA 92 -12.133 6.200 1.304 585 HA ALA 92 HA ALA 92 -11.074 3.687 0.492 586 HB1 ALA 92 1HB ALA 92 -10.041 5.614 2.574 587 HB2 ALA 92 2HB ALA 92 -9.670 5.674 0.852 588 HB3 ALA 92 3HB ALA 92 -9.130 4.303 1.822 589 H LYS 93 H LYS 93 -12.405 4.984 3.481 590 HA LYS 93 HA LYS 93 -11.824 2.930 5.237 591 HB2 LYS 93 1HB LYS 93 -12.791 5.079 5.913 592 HB3 LYS 93 2HB LYS 93 -14.304 4.650 5.131 593 HG2 LYS 93 1HG LYS 93 -14.563 2.777 6.707 594 HG3 LYS 93 2HG LYS 93 -13.080 3.286 7.519 595 HD2 LYS 93 1HD LYS 93 -14.102 5.454 8.022 596 HD3 LYS 93 2HD LYS 93 -15.583 4.943 7.210 597 HE2 LYS 93 1HE LYS 93 -15.821 3.116 8.833 598 HE3 LYS 93 2HE LYS 93 -14.364 3.669 9.655 599 HZ1 LYS 93 1HZ LYS 93 -16.897 5.188 9.362 600 HZ2 LYS 93 2HZ LYS 93 -15.491 5.784 10.089 601 HZ3 LYS 93 3HZ LYS 93 -16.310 4.476 10.780 602 H LYS 94 H LYS 94 -14.718 3.308 3.198 603 HA LYS 94 HA LYS 94 -16.048 0.982 3.935 604 HB2 LYS 94 1HB LYS 94 -16.004 2.560 1.380 605 HB3 LYS 94 2HB LYS 94 -16.977 1.106 1.527 606 HG2 LYS 94 1HG LYS 94 -17.208 3.524 3.306 607 HG3 LYS 94 2HG LYS 94 -18.251 3.171 1.928 608 HD2 LYS 94 1HD LYS 94 -17.946 1.488 4.418 609 HD3 LYS 94 2HD LYS 94 -19.327 2.502 4.006 610 HE2 LYS 94 1HE LYS 94 -18.379 0.096 2.450 611 HE3 LYS 94 2HE LYS 94 -19.761 0.137 3.540 612 HZ1 LYS 94 1HZ LYS 94 -20.827 1.737 2.092 613 HZ2 LYS 94 2HZ LYS 94 -20.420 0.347 1.220 614 HZ3 LYS 94 3HZ LYS 94 -19.489 1.746 1.059 615 H ALA 95 H ALA 95 -13.795 1.452 1.229 616 HA ALA 95 HA ALA 95 -13.890 -1.227 0.337 617 HB1 ALA 95 1HB ALA 95 -11.750 0.849 -0.113 618 HB2 ALA 95 2HB ALA 95 -13.192 0.618 -1.102 619 HB3 ALA 95 3HB ALA 95 -11.958 -0.641 -1.034 620 H ALA 96 H ALA 96 -11.655 0.501 2.471 621 HA ALA 96 HA ALA 96 -9.778 -1.569 2.806 622 HB1 ALA 96 1HB ALA 96 -10.506 0.632 4.730 623 HB2 ALA 96 2HB ALA 96 -9.338 0.757 3.415 624 HB3 ALA 96 3HB ALA 96 -9.033 -0.337 4.764 625 H GLU 97 H GLU 97 -12.798 -0.827 4.426 626 HA GLU 97 HA GLU 97 -12.541 -2.683 6.546 627 HB2 GLU 97 1HB GLU 97 -14.119 -0.817 6.608 628 HB3 GLU 97 2HB GLU 97 -15.006 -1.501 5.257 629 HG2 GLU 97 1HG GLU 97 -15.704 -3.368 6.588 630 HG3 GLU 97 2HG GLU 97 -14.689 -2.839 7.931 631 H GLU 98 H GLU 98 -13.859 -2.893 3.286 632 HA GLU 98 HA GLU 98 -14.891 -5.541 3.581 633 HB2 GLU 98 1HB GLU 98 -14.109 -4.125 1.027 634 HB3 GLU 98 2HB GLU 98 -15.190 -5.501 1.178 635 HG2 GLU 98 1HG GLU 98 -16.740 -4.084 2.476 636 HG3 GLU 98 2HG GLU 98 -15.677 -2.711 2.180 637 H ALA 99 H ALA 99 -12.019 -4.171 2.035 638 HA ALA 99 HA ALA 99 -10.914 -6.659 1.235 639 HB1 ALA 99 1HB ALA 99 -8.947 -5.365 0.641 640 HB2 ALA 99 2HB ALA 99 -9.561 -3.985 1.549 641 HB3 ALA 99 3HB ALA 99 -10.413 -4.543 0.111 642 H ARG 100 H ARG 100 -11.034 -5.114 4.237 643 HA ARG 100 HA ARG 100 -8.660 -5.745 5.501 644 HB2 ARG 100 1HB ARG 100 -10.567 -4.471 6.489 645 HB3 ARG 100 2HB ARG 100 -11.428 -5.989 6.693 646 HG2 ARG 100 1HG ARG 100 -9.465 -6.749 8.104 647 HG3 ARG 100 2HG ARG 100 -8.936 -5.065 8.086 648 HD2 ARG 100 1HD ARG 100 -10.215 -5.410 10.075 649 HD3 ARG 100 2HD ARG 100 -11.181 -4.432 8.973 650 HE ARG 100 HE ARG 100 -11.581 -7.344 9.165 651 HH11 ARG 100 1HH1 ARG 100 -12.840 -4.080 9.368 652 HH12 ARG 100 2HH1 ARG 100 -14.486 -4.596 9.546 653 HH21 ARG 100 1HH2 ARG 100 -13.749 -8.021 9.390 654 HH22 ARG 100 2HH2 ARG 100 -15.006 -6.833 9.556 655 H LYS 101 H LYS 101 -11.346 -7.822 4.651 656 HA LYS 101 HA LYS 101 -10.569 -10.030 6.277 657 HB2 LYS 101 1HB LYS 101 -12.361 -10.000 3.843 658 HB3 LYS 101 2HB LYS 101 -12.261 -11.282 5.042 659 HG2 LYS 101 1HG LYS 101 -13.031 -9.650 6.757 660 HG3 LYS 101 2HG LYS 101 -13.278 -8.482 5.459 661 HD2 LYS 101 1HD LYS 101 -14.612 -11.180 5.651 662 HD3 LYS 101 2HD LYS 101 -15.352 -9.647 6.108 663 HE2 LYS 101 1HE LYS 101 -14.384 -10.388 3.349 664 HE3 LYS 101 2HE LYS 101 -16.062 -10.383 3.881 665 HZ1 LYS 101 1HZ LYS 101 -15.586 -8.376 2.690 666 HZ2 LYS 101 2HZ LYS 101 -14.271 -8.024 3.689 667 HZ3 LYS 101 3HZ LYS 101 -15.841 -7.987 4.314 668 H TRP 102 H TRP 102 -9.328 -8.764 3.421 669 HA TRP 102 HA TRP 102 -8.030 -11.321 2.778 670 HB2 TRP 102 1HB TRP 102 -8.770 -8.986 1.028 671 HB3 TRP 102 2HB TRP 102 -7.533 -10.146 0.536 672 HD1 TRP 102 HD1 TRP 102 -8.334 -12.514 -0.276 673 HE1 TRP 102 HE1 TRP 102 -10.644 -13.514 -0.823 674 HE3 TRP 102 HE3 TRP 102 -11.284 -8.886 1.778 675 HZ2 TRP 102 HZ2 TRP 102 -13.358 -12.849 -0.421 676 HZ3 TRP 102 HZ3 TRP 102 -13.724 -9.145 1.657 677 HH2 TRP 102 HH2 TRP 102 -14.740 -11.084 0.580 678 H ASN 103 H ASN 103 -7.428 -9.059 4.722 679 HA ASN 103 HA ASN 103 -5.560 -8.270 5.718 680 HB2 ASN 103 1HB ASN 103 -4.273 -10.159 3.764 681 HB3 ASN 103 2HB ASN 103 -3.321 -9.175 4.867 682 HD21 ASN 103 1HD2 ASN 103 -5.118 -9.286 7.068 683 HD22 ASN 103 2HD2 ASN 103 -5.079 -10.899 7.689 684 H VAL 104 H VAL 104 -6.729 -6.599 3.903 685 HA VAL 104 HA VAL 104 -4.443 -5.252 2.653 686 HB VAL 104 HB VAL 104 -7.411 -4.751 2.344 687 HG11 VAL 104 1HG1 VAL 104 -5.080 -3.375 1.011 688 HG12 VAL 104 2HG1 VAL 104 -6.189 -2.656 2.177 689 HG13 VAL 104 3HG1 VAL 104 -6.778 -3.152 0.590 690 HG21 VAL 104 1HG2 VAL 104 -7.012 -5.504 0.021 691 HG22 VAL 104 2HG2 VAL 104 -6.693 -6.764 1.212 692 HG23 VAL 104 3HG2 VAL 104 -5.351 -5.902 0.461 693 H ARG 105 H ARG 105 -3.418 -3.993 4.037 694 HA ARG 105 HA ARG 105 -4.959 -2.597 6.120 695 HB2 ARG 105 1HB ARG 105 -3.241 -4.176 6.902 696 HB3 ARG 105 2HB ARG 105 -2.020 -3.295 6.001 697 HG2 ARG 105 1HG ARG 105 -2.321 -1.358 7.420 698 HG3 ARG 105 2HG ARG 105 -3.631 -2.171 8.286 699 HD2 ARG 105 1HD ARG 105 -2.107 -3.863 9.085 700 HD3 ARG 105 2HD ARG 105 -0.796 -3.182 8.128 701 HE ARG 105 HE ARG 105 -1.853 -1.256 9.932 702 HH11 ARG 105 1HH1 ARG 105 0.195 -4.089 9.788 703 HH12 ARG 105 2HH1 ARG 105 1.140 -3.638 11.169 704 HH21 ARG 105 1HH2 ARG 105 -0.604 -0.656 11.762 705 HH22 ARG 105 2HH2 ARG 105 0.694 -1.682 12.284 706 H VAL 106 H VAL 106 -5.431 -0.587 5.509 707 HA VAL 106 HA VAL 106 -3.535 0.924 3.878 708 HB VAL 106 HB VAL 106 -5.856 0.890 3.097 709 HG11 VAL 106 1HG1 VAL 106 -7.005 0.593 5.206 710 HG12 VAL 106 2HG1 VAL 106 -7.631 2.013 4.369 711 HG13 VAL 106 3HG1 VAL 106 -6.518 2.206 5.725 712 HG21 VAL 106 1HG2 VAL 106 -6.216 3.294 2.851 713 HG22 VAL 106 2HG2 VAL 106 -4.523 2.865 2.612 714 HG23 VAL 106 3HG2 VAL 106 -5.041 3.602 4.128 715 H ARG 107 H ARG 107 -2.405 2.636 4.618 716 HA ARG 107 HA ARG 107 -3.188 3.903 7.130 717 HB2 ARG 107 1HB ARG 107 -0.975 3.714 8.110 718 HB3 ARG 107 2HB ARG 107 -1.613 2.113 7.772 719 HG2 ARG 107 1HG ARG 107 -0.257 2.145 5.654 720 HG3 ARG 107 2HG ARG 107 0.513 3.609 6.267 721 HD2 ARG 107 1HD ARG 107 0.520 0.877 7.538 722 HD3 ARG 107 2HD ARG 107 1.891 1.715 6.813 723 HE ARG 107 HE ARG 107 1.063 3.403 8.774 724 HH11 ARG 107 1HH1 ARG 107 2.017 0.040 8.685 725 HH12 ARG 107 2HH1 ARG 107 2.559 0.014 10.328 726 HH21 ARG 107 1HH2 ARG 107 1.785 3.377 10.939 727 HH22 ARG 107 2HH2 ARG 107 2.438 1.917 11.610 728 H THR 108 H THR 108 -2.200 5.984 7.442 729 HA THR 108 HA THR 108 -1.876 7.324 4.899 730 HB THR 108 HB THR 108 -2.029 8.517 7.670 731 HG1 THR 108 HG1 THR 108 -4.285 8.914 6.423 732 HG21 THR 108 1HG2 THR 108 -2.709 10.554 6.497 733 HG22 THR 108 2HG2 THR 108 -2.509 9.736 4.947 734 HG23 THR 108 3HG2 THR 108 -1.107 10.032 5.976 735 H VAL 109 H VAL 109 -0.033 8.047 4.077 736 HA VAL 109 HA VAL 109 2.303 8.282 5.856 737 HB VAL 109 HB VAL 109 2.522 6.322 4.382 738 HG11 VAL 109 1HG1 VAL 109 1.198 7.012 2.488 739 HG12 VAL 109 2HG1 VAL 109 2.836 6.624 1.957 740 HG13 VAL 109 3HG1 VAL 109 2.338 8.308 2.124 741 HG21 VAL 109 1HG2 VAL 109 4.721 6.858 3.450 742 HG22 VAL 109 2HG2 VAL 109 4.515 7.480 5.085 743 HG23 VAL 109 3HG2 VAL 109 4.400 8.573 3.708 744 H THR 110 H THR 110 3.602 10.081 5.593 745 HA THR 110 HA THR 110 2.650 12.054 3.619 746 HB THR 110 HB THR 110 3.498 13.792 5.271 747 HG1 THR 110 HG1 THR 110 4.248 11.601 6.594 748 HG21 THR 110 1HG2 THR 110 1.153 12.070 6.080 749 HG22 THR 110 2HG2 THR 110 1.118 13.392 4.913 750 HG23 THR 110 3HG2 THR 110 1.443 13.725 6.614 751 H SER 111 H SER 111 5.393 10.520 5.121 752 HA SER 111 HA SER 111 7.183 12.017 3.316 753 HB2 SER 111 1HB SER 111 7.915 10.838 6.004 754 HB3 SER 111 2HB SER 111 8.905 11.894 4.998 755 HG SER 111 HG SER 111 7.201 13.493 5.293 756 HA PRO 112 HA PRO 112 8.239 8.154 1.397 757 HB2 PRO 112 1HB PRO 112 10.982 9.288 1.338 758 HB3 PRO 112 2HB PRO 112 10.012 8.629 0.023 759 HG2 PRO 112 1HG PRO 112 10.355 11.258 0.279 760 HG3 PRO 112 2HG PRO 112 8.802 10.582 -0.245 761 HD2 PRO 112 1HD PRO 112 9.581 11.708 2.403 762 HD3 PRO 112 2HD PRO 112 8.028 11.792 1.551 763 H ASP 113 H ASP 113 10.366 9.425 3.935 764 HA ASP 113 HA ASP 113 11.751 7.032 4.451 765 HB2 ASP 113 1HB ASP 113 11.196 9.428 6.192 766 HB3 ASP 113 2HB ASP 113 12.145 8.057 6.755 767 H GLU 114 H GLU 114 8.612 8.154 5.477 768 HA GLU 114 HA GLU 114 8.180 6.290 7.561 769 HB2 GLU 114 1HB GLU 114 6.219 7.639 5.710 770 HB3 GLU 114 2HB GLU 114 5.761 6.715 7.130 771 HG2 GLU 114 1HG GLU 114 6.992 8.322 8.527 772 HG3 GLU 114 2HG GLU 114 7.358 9.262 7.079 773 H ALA 115 H ALA 115 7.103 6.288 4.166 774 HA ALA 115 HA ALA 115 6.000 3.731 4.109 775 HB1 ALA 115 1HB ALA 115 7.355 5.223 1.862 776 HB2 ALA 115 2HB ALA 115 5.659 5.357 2.324 777 HB3 ALA 115 3HB ALA 115 6.279 3.838 1.676 778 H LYS 116 H LYS 116 9.280 4.832 3.452 779 HA LYS 116 HA LYS 116 10.470 2.438 2.704 780 HB2 LYS 116 1HB LYS 116 11.621 4.537 2.473 781 HB3 LYS 116 2HB LYS 116 11.565 4.818 4.206 782 HG2 LYS 116 1HG LYS 116 13.123 3.029 4.593 783 HG3 LYS 116 2HG LYS 116 13.101 2.593 2.883 784 HD2 LYS 116 1HD LYS 116 14.078 4.730 2.295 785 HD3 LYS 116 2HD LYS 116 14.020 5.247 3.979 786 HE2 LYS 116 1HE LYS 116 15.608 2.915 2.916 787 HE3 LYS 116 2HE LYS 116 16.265 4.505 3.301 788 HZ1 LYS 116 1HZ LYS 116 16.651 2.969 5.100 789 HZ2 LYS 116 2HZ LYS 116 15.003 2.625 5.222 790 HZ3 LYS 116 3HZ LYS 116 15.573 4.171 5.608 791 H ARG 117 H ARG 117 9.681 3.667 5.895 792 HA ARG 117 HA ARG 117 11.095 1.608 7.309 793 HB2 ARG 117 1HB ARG 117 10.696 3.789 8.350 794 HB3 ARG 117 2HB ARG 117 8.959 3.535 8.245 795 HG2 ARG 117 1HG ARG 117 9.214 1.561 9.728 796 HG3 ARG 117 2HG ARG 117 10.916 1.979 9.914 797 HD2 ARG 117 1HD ARG 117 8.591 3.752 10.645 798 HD3 ARG 117 2HD ARG 117 9.541 2.794 11.779 799 HE ARG 117 HE ARG 117 11.277 4.442 10.322 800 HH11 ARG 117 1HH1 ARG 117 8.780 4.661 12.755 801 HH12 ARG 117 2HH1 ARG 117 9.406 6.120 13.455 802 HH21 ARG 117 1HH2 ARG 117 12.118 6.359 11.246 803 HH22 ARG 117 2HH2 ARG 117 11.316 7.077 12.606 804 H TRP 118 H TRP 118 7.713 2.234 6.438 805 HA TRP 118 HA TRP 118 6.608 0.084 7.878 806 HB2 TRP 118 1HB TRP 118 5.510 1.347 5.360 807 HB3 TRP 118 2HB TRP 118 4.603 0.392 6.525 808 HD1 TRP 118 HD1 TRP 118 4.365 3.636 5.582 809 HE1 TRP 118 HE1 TRP 118 4.044 5.338 7.483 810 HE3 TRP 118 HE3 TRP 118 6.009 0.796 9.519 811 HZ2 TRP 118 HZ2 TRP 118 4.441 5.467 10.267 812 HZ3 TRP 118 HZ3 TRP 118 6.007 1.794 11.763 813 HH2 TRP 118 HH2 TRP 118 5.239 4.080 12.129 814 H ILE 119 H ILE 119 7.696 0.314 4.506 815 HA ILE 119 HA ILE 119 6.939 -2.260 3.697 816 HB ILE 119 HB ILE 119 9.306 -0.621 2.764 817 HG12 ILE 119 1HG1 ILE 119 6.533 -0.924 1.588 818 HG13 ILE 119 2HG1 ILE 119 7.093 0.472 2.502 819 HG21 ILE 119 1HG2 ILE 119 9.213 -2.002 0.731 820 HG22 ILE 119 2HG2 ILE 119 7.969 -3.001 1.482 821 HG23 ILE 119 3HG2 ILE 119 9.595 -2.956 2.164 822 HD11 ILE 119 1HD1 ILE 119 8.192 -0.479 -0.133 823 HD12 ILE 119 2HD1 ILE 119 8.777 0.909 0.784 824 HD13 ILE 119 3HD1 ILE 119 7.142 0.914 0.123 825 H LYS 120 H LYS 120 9.922 -1.091 5.196 826 HA LYS 120 HA LYS 120 11.342 -3.513 5.166 827 HB2 LYS 120 1HB LYS 120 12.370 -1.317 5.598 828 HB3 LYS 120 2HB LYS 120 11.521 -1.221 7.131 829 HG2 LYS 120 1HG LYS 120 13.822 -1.852 7.490 830 HG3 LYS 120 2HG LYS 120 12.757 -3.184 7.930 831 HD2 LYS 120 1HD LYS 120 14.676 -4.026 6.718 832 HD3 LYS 120 2HD LYS 120 13.217 -4.242 5.753 833 HE2 LYS 120 1HE LYS 120 15.020 -3.462 4.347 834 HE3 LYS 120 2HE LYS 120 13.788 -2.212 4.480 835 HZ1 LYS 120 1HZ LYS 120 15.160 -1.089 6.122 836 HZ2 LYS 120 2HZ LYS 120 16.010 -1.294 4.675 837 HZ3 LYS 120 3HZ LYS 120 16.340 -2.293 5.997 838 H GLU 121 H GLU 121 9.071 -2.140 7.470 839 HA GLU 121 HA GLU 121 9.384 -3.944 9.582 840 HB2 GLU 121 1HB GLU 121 7.909 -1.723 9.171 841 HB3 GLU 121 2HB GLU 121 6.654 -2.937 8.985 842 HG2 GLU 121 1HG GLU 121 8.451 -2.736 11.388 843 HG3 GLU 121 2HG GLU 121 6.870 -1.971 11.271 844 H PHE 122 H PHE 122 7.304 -4.069 6.719 845 HA PHE 122 HA PHE 122 6.126 -6.590 7.421 846 HB2 PHE 122 1HB PHE 122 6.071 -4.887 4.939 847 HB3 PHE 122 2HB PHE 122 5.344 -6.487 4.969 848 HD1 PHE 122 HD1 PHE 122 5.231 -3.151 6.576 849 HD2 PHE 122 HD2 PHE 122 3.206 -6.819 5.839 850 HE1 PHE 122 HE1 PHE 122 3.165 -2.190 7.497 851 HE2 PHE 122 HE2 PHE 122 1.135 -5.862 6.760 852 HZ PHE 122 HZ PHE 122 1.114 -3.545 7.589 853 H SER 123 H SER 123 8.966 -5.591 5.696 854 HA SER 123 HA SER 123 9.279 -7.959 4.136 855 HB2 SER 123 1HB SER 123 11.368 -5.933 4.961 856 HB3 SER 123 2HB SER 123 11.533 -7.126 3.675 857 HG SER 123 HG SER 123 9.487 -5.161 3.709 858 H GLU 124 H GLU 124 10.877 -6.792 7.094 859 HA GLU 124 HA GLU 124 12.270 -9.335 7.331 860 HB2 GLU 124 1HB GLU 124 12.471 -6.852 9.037 861 HB3 GLU 124 2HB GLU 124 13.540 -8.244 9.108 862 HG2 GLU 124 1HG GLU 124 13.234 -6.314 6.824 863 HG3 GLU 124 2HG GLU 124 14.617 -6.475 7.905 864 H GLU 125 H GLU 125 12.551 -9.847 9.902 865 HA GLU 125 HA GLU 125 9.904 -10.725 10.660 866 HB2 GLU 125 1HB GLU 125 12.631 -11.231 11.857 867 HB3 GLU 125 2HB GLU 125 11.144 -11.917 12.489 868 HG2 GLU 125 1HG GLU 125 12.264 -12.384 9.735 869 HG3 GLU 125 2HG GLU 125 12.345 -13.507 11.093 Start of MODEL 17 1 HA MET 21 HA MET 21 5.704 -14.722 1.376 2 HB2 MET 21 1HB MET 21 7.993 -14.211 2.011 3 HB3 MET 21 2HB MET 21 8.280 -13.420 0.468 4 HG2 MET 21 1HG MET 21 6.595 -11.721 1.060 5 HG3 MET 21 2HG MET 21 6.407 -12.491 2.632 6 HE1 MET 21 1HE MET 21 9.442 -13.321 3.298 7 HE2 MET 21 2HE MET 21 8.322 -12.608 4.458 8 HE3 MET 21 3HE MET 21 9.931 -11.918 4.246 9 H ARG 22 H ARG 22 3.950 -13.734 0.609 10 HA ARG 22 HA ARG 22 4.195 -12.317 -1.949 11 HB2 ARG 22 1HB ARG 22 2.533 -14.199 -1.816 12 HB3 ARG 22 2HB ARG 22 1.648 -13.258 -0.625 13 HG2 ARG 22 1HG ARG 22 0.664 -13.047 -2.843 14 HG3 ARG 22 2HG ARG 22 1.277 -11.497 -2.263 15 HD2 ARG 22 1HD ARG 22 3.281 -11.768 -3.618 16 HD3 ARG 22 2HD ARG 22 2.716 -13.343 -4.167 17 HE ARG 22 HE ARG 22 0.723 -11.900 -5.022 18 HH11 ARG 22 1HH1 ARG 22 4.121 -11.047 -5.055 19 HH12 ARG 22 2HH1 ARG 22 3.976 -10.029 -6.451 20 HH21 ARG 22 1HH2 ARG 22 0.539 -10.563 -6.868 21 HH22 ARG 22 2HH2 ARG 22 1.948 -9.742 -7.479 22 H LEU 23 H LEU 23 4.963 -10.407 -1.203 23 HA LEU 23 HA LEU 23 3.341 -8.948 0.778 24 HB2 LEU 23 1HB LEU 23 5.880 -9.479 1.091 25 HB3 LEU 23 2HB LEU 23 6.123 -8.208 -0.084 26 HG LEU 23 HG LEU 23 6.437 -7.411 2.213 27 HD11 LEU 23 1HD1 LEU 23 3.986 -6.236 0.918 28 HD12 LEU 23 2HD1 LEU 23 5.657 -5.822 0.540 29 HD13 LEU 23 3HD1 LEU 23 4.997 -5.453 2.133 30 HD21 LEU 23 1HD2 LEU 23 4.855 -8.966 3.283 31 HD22 LEU 23 2HD2 LEU 23 3.521 -8.026 2.611 32 HD23 LEU 23 3HD2 LEU 23 4.619 -7.290 3.778 33 H VAL 24 H VAL 24 2.016 -7.504 -0.136 34 HA VAL 24 HA VAL 24 2.780 -6.398 -2.758 35 HB VAL 24 HB VAL 24 -0.029 -6.552 -1.667 36 HG11 VAL 24 1HG1 VAL 24 -0.666 -6.213 -3.998 37 HG12 VAL 24 2HG1 VAL 24 1.035 -6.136 -4.457 38 HG13 VAL 24 3HG1 VAL 24 0.346 -4.893 -3.414 39 HG21 VAL 24 1HG2 VAL 24 1.359 -8.490 -3.521 40 HG22 VAL 24 2HG2 VAL 24 -0.355 -8.510 -3.105 41 HG23 VAL 24 3HG2 VAL 24 0.857 -8.819 -1.863 42 H VAL 25 H VAL 25 2.978 -4.269 -2.996 43 HA VAL 25 HA VAL 25 2.092 -2.527 -0.785 44 HB VAL 25 HB VAL 25 4.619 -2.193 -2.421 45 HG11 VAL 25 1HG1 VAL 25 3.605 -0.676 -0.021 46 HG12 VAL 25 2HG1 VAL 25 3.662 -0.082 -1.682 47 HG13 VAL 25 3HG1 VAL 25 5.160 -0.428 -0.817 48 HG21 VAL 25 1HG2 VAL 25 5.832 -2.748 -0.365 49 HG22 VAL 25 2HG2 VAL 25 4.831 -4.093 -0.912 50 HG23 VAL 25 3HG2 VAL 25 4.302 -3.094 0.442 51 H LEU 26 H LEU 26 0.364 -1.484 -1.660 52 HA LEU 26 HA LEU 26 0.722 -0.311 -4.337 53 HB2 LEU 26 1HB LEU 26 -1.880 -0.577 -2.820 54 HB3 LEU 26 2HB LEU 26 -1.682 -0.055 -4.487 55 HG LEU 26 HG LEU 26 -0.594 -2.470 -4.718 56 HD11 LEU 26 1HD1 LEU 26 -2.561 -2.792 -2.467 57 HD12 LEU 26 2HD1 LEU 26 -0.817 -3.040 -2.367 58 HD13 LEU 26 3HD1 LEU 26 -1.804 -4.101 -3.374 59 HD21 LEU 26 1HD2 LEU 26 -2.467 -1.652 -6.017 60 HD22 LEU 26 2HD2 LEU 26 -3.554 -1.945 -4.659 61 HD23 LEU 26 3HD2 LEU 26 -2.759 -3.300 -5.461 62 H ILE 27 H ILE 27 1.442 1.670 -4.273 63 HA ILE 27 HA ILE 27 0.771 3.336 -1.937 64 HB ILE 27 HB ILE 27 3.137 2.867 -1.999 65 HG12 ILE 27 1HG1 ILE 27 2.647 5.678 -3.006 66 HG13 ILE 27 2HG1 ILE 27 2.477 5.148 -1.337 67 HG21 ILE 27 1HG2 ILE 27 4.555 3.454 -3.896 68 HG22 ILE 27 2HG2 ILE 27 3.132 3.958 -4.806 69 HG23 ILE 27 3HG2 ILE 27 3.333 2.266 -4.351 70 HD11 ILE 27 1HD1 ILE 27 4.571 6.326 -1.692 71 HD12 ILE 27 2HD1 ILE 27 5.030 5.155 -2.928 72 HD13 ILE 27 3HD1 ILE 27 4.856 4.643 -1.250 73 H VAL 28 H VAL 28 0.146 5.445 -2.226 74 HA VAL 28 HA VAL 28 -0.960 6.087 -4.840 75 HB VAL 28 HB VAL 28 -1.125 7.679 -2.272 76 HG11 VAL 28 1HG1 VAL 28 -3.096 8.695 -3.274 77 HG12 VAL 28 2HG1 VAL 28 -2.859 7.732 -4.733 78 HG13 VAL 28 3HG1 VAL 28 -1.669 8.953 -4.278 79 HG21 VAL 28 1HG2 VAL 28 -3.312 6.643 -1.918 80 HG22 VAL 28 2HG2 VAL 28 -2.023 5.439 -1.915 81 HG23 VAL 28 3HG2 VAL 28 -3.056 5.621 -3.332 82 H SER 29 H SER 29 -0.528 8.173 -5.836 83 HA SER 29 HA SER 29 2.212 8.427 -6.294 84 HB2 SER 29 1HB SER 29 0.351 8.973 -7.898 85 HB3 SER 29 2HB SER 29 0.106 10.459 -6.988 86 HG SER 29 HG SER 29 1.960 9.890 -8.873 87 H ASN 30 H ASN 30 3.719 9.819 -5.700 88 HA ASN 30 HA ASN 30 3.183 12.184 -4.149 89 HB2 ASN 30 1HB ASN 30 3.290 10.223 -2.498 90 HB3 ASN 30 2HB ASN 30 4.988 10.080 -2.939 91 HD21 ASN 30 1HD2 ASN 30 2.578 12.122 -1.433 92 HD22 ASN 30 2HD2 ASN 30 3.691 13.119 -0.559 93 H ASP 31 H ASP 31 5.854 12.702 -3.373 94 HA ASP 31 HA ASP 31 6.843 13.665 -5.807 95 HB2 ASP 31 1HB ASP 31 7.462 14.707 -3.696 96 HB3 ASP 31 2HB ASP 31 8.344 13.259 -3.216 97 H LYS 32 H LYS 32 8.891 13.183 -6.864 98 HA LYS 32 HA LYS 32 8.935 10.574 -7.824 99 HB2 LYS 32 1HB LYS 32 11.118 12.663 -7.922 100 HB3 LYS 32 2HB LYS 32 11.143 11.168 -8.836 101 HG2 LYS 32 1HG LYS 32 10.414 12.772 -10.361 102 HG3 LYS 32 2HG LYS 32 8.941 11.948 -9.861 103 HD2 LYS 32 1HD LYS 32 8.547 14.325 -9.943 104 HD3 LYS 32 2HD LYS 32 8.498 13.789 -8.267 105 HE2 LYS 32 1HE LYS 32 10.906 14.518 -8.084 106 HE3 LYS 32 2HE LYS 32 10.726 15.246 -9.677 107 HZ1 LYS 32 1HZ LYS 32 10.356 16.924 -8.073 108 HZ2 LYS 32 2HZ LYS 32 9.283 15.962 -7.187 109 HZ3 LYS 32 3HZ LYS 32 8.837 16.542 -8.718 110 H LYS 33 H LYS 33 10.911 12.122 -5.336 111 HA LYS 33 HA LYS 33 12.833 10.098 -5.069 112 HB2 LYS 33 1HB LYS 33 11.823 12.102 -3.051 113 HB3 LYS 33 2HB LYS 33 13.229 11.078 -2.803 114 HG2 LYS 33 1HG LYS 33 12.912 13.132 -4.980 115 HG3 LYS 33 2HG LYS 33 13.856 13.325 -3.504 116 HD2 LYS 33 1HD LYS 33 14.358 11.296 -5.686 117 HD3 LYS 33 2HD LYS 33 15.289 12.765 -5.402 118 HE2 LYS 33 1HE LYS 33 15.011 10.467 -3.470 119 HE3 LYS 33 2HE LYS 33 16.401 10.763 -4.511 120 HZ1 LYS 33 1HZ LYS 33 16.774 11.565 -2.266 121 HZ2 LYS 33 2HZ LYS 33 15.430 12.587 -2.376 122 HZ3 LYS 33 3HZ LYS 33 16.776 12.849 -3.366 123 H LEU 34 H LEU 34 9.696 10.534 -3.499 124 HA LEU 34 HA LEU 34 10.054 8.376 -1.677 125 HB2 LEU 34 1HB LEU 34 8.460 10.118 -1.164 126 HB3 LEU 34 2HB LEU 34 7.541 9.755 -2.615 127 HG LEU 34 HG LEU 34 6.886 7.596 -1.725 128 HD11 LEU 34 1HD1 LEU 34 8.588 8.325 0.649 129 HD12 LEU 34 2HD1 LEU 34 8.901 7.036 -0.514 130 HD13 LEU 34 3HD1 LEU 34 7.503 6.938 0.557 131 HD21 LEU 34 1HD2 LEU 34 5.560 8.310 0.199 132 HD22 LEU 34 2HD2 LEU 34 5.500 9.488 -1.111 133 HD23 LEU 34 3HD2 LEU 34 6.510 9.790 0.302 134 H ILE 35 H ILE 35 8.270 8.708 -4.737 135 HA ILE 35 HA ILE 35 7.192 6.140 -4.836 136 HB ILE 35 HB ILE 35 8.104 7.838 -7.171 137 HG12 ILE 35 1HG1 ILE 35 5.368 7.563 -5.885 138 HG13 ILE 35 2HG1 ILE 35 6.428 8.964 -5.757 139 HG21 ILE 35 1HG2 ILE 35 6.237 5.468 -7.102 140 HG22 ILE 35 2HG2 ILE 35 7.838 5.522 -7.838 141 HG23 ILE 35 3HG2 ILE 35 6.529 6.498 -8.503 142 HD11 ILE 35 1HD1 ILE 35 4.647 9.319 -7.374 143 HD12 ILE 35 2HD1 ILE 35 5.196 7.919 -8.295 144 HD13 ILE 35 3HD1 ILE 35 6.230 9.341 -8.151 145 H GLU 36 H GLU 36 10.297 7.348 -6.053 146 HA GLU 36 HA GLU 36 11.148 4.870 -7.119 147 HB2 GLU 36 1HB GLU 36 12.690 7.321 -6.292 148 HB3 GLU 36 2HB GLU 36 13.431 5.924 -7.058 149 HG2 GLU 36 1HG GLU 36 11.241 7.604 -8.256 150 HG3 GLU 36 2HG GLU 36 12.955 7.700 -8.664 151 H GLU 37 H GLU 37 11.727 6.436 -3.963 152 HA GLU 37 HA GLU 37 13.644 4.526 -3.149 153 HB2 GLU 37 1HB GLU 37 13.458 6.734 -2.087 154 HB3 GLU 37 2HB GLU 37 11.900 6.278 -1.411 155 HG2 GLU 37 1HG GLU 37 12.827 4.844 0.124 156 HG3 GLU 37 2HG GLU 37 14.286 4.592 -0.835 157 H ALA 38 H ALA 38 10.159 4.822 -2.457 158 HA ALA 38 HA ALA 38 9.868 2.489 -0.942 159 HB1 ALA 38 1HB ALA 38 7.903 3.747 -2.859 160 HB2 ALA 38 2HB ALA 38 8.101 4.156 -1.154 161 HB3 ALA 38 3HB ALA 38 7.507 2.560 -1.615 162 H ARG 39 H ARG 39 9.985 3.009 -4.400 163 HA ARG 39 HA ARG 39 9.281 0.372 -5.173 164 HB2 ARG 39 1HB ARG 39 9.075 2.334 -6.649 165 HB3 ARG 39 2HB ARG 39 10.824 2.491 -6.675 166 HG2 ARG 39 1HG ARG 39 11.002 0.320 -7.774 167 HG3 ARG 39 2HG ARG 39 9.242 0.167 -7.748 168 HD2 ARG 39 1HD ARG 39 9.042 2.174 -9.119 169 HD3 ARG 39 2HD ARG 39 10.795 2.353 -9.126 170 HE ARG 39 HE ARG 39 9.741 -0.152 -10.163 171 HH11 ARG 39 1HH1 ARG 39 10.928 3.070 -10.865 172 HH12 ARG 39 2HH1 ARG 39 11.342 2.697 -12.508 173 HH21 ARG 39 1HH2 ARG 39 10.254 -0.635 -12.333 174 HH22 ARG 39 2HH2 ARG 39 10.949 0.590 -13.348 175 H LYS 40 H LYS 40 12.384 2.035 -4.729 176 HA LYS 40 HA LYS 40 14.056 -0.044 -5.587 177 HB2 LYS 40 1HB LYS 40 14.537 2.119 -3.536 178 HB3 LYS 40 2HB LYS 40 15.791 1.043 -4.130 179 HG2 LYS 40 1HG LYS 40 15.387 1.880 -6.415 180 HG3 LYS 40 2HG LYS 40 14.206 3.014 -5.759 181 HD2 LYS 40 1HD LYS 40 15.938 4.054 -4.401 182 HD3 LYS 40 2HD LYS 40 17.124 2.895 -5.001 183 HE2 LYS 40 1HE LYS 40 15.624 4.916 -6.665 184 HE3 LYS 40 2HE LYS 40 17.306 5.043 -6.154 185 HZ1 LYS 40 1HZ LYS 40 17.217 4.245 -8.391 186 HZ2 LYS 40 2HZ LYS 40 16.156 3.002 -7.973 187 HZ3 LYS 40 3HZ LYS 40 17.747 2.979 -7.405 188 H MET 41 H MET 41 12.739 0.683 -2.377 189 HA MET 41 HA MET 41 13.992 -1.417 -0.998 190 HB2 MET 41 1HB MET 41 11.326 -0.088 -0.492 191 HB3 MET 41 2HB MET 41 12.091 -1.216 0.617 192 HG2 MET 41 1HG MET 41 14.032 0.325 0.746 193 HG3 MET 41 2HG MET 41 13.119 1.479 -0.225 194 HE1 MET 41 1HE MET 41 11.792 -0.958 2.606 195 HE2 MET 41 2HE MET 41 11.937 0.092 4.014 196 HE3 MET 41 3HE MET 41 13.384 -0.438 3.155 197 H ALA 42 H ALA 42 10.905 -1.252 -2.711 198 HA ALA 42 HA ALA 42 10.023 -3.854 -2.166 199 HB1 ALA 42 1HB ALA 42 9.487 -2.156 -4.600 200 HB2 ALA 42 2HB ALA 42 8.565 -2.143 -3.097 201 HB3 ALA 42 3HB ALA 42 8.568 -3.583 -4.116 202 H GLU 43 H GLU 43 11.948 -2.588 -4.866 203 HA GLU 43 HA GLU 43 12.249 -4.990 -6.275 204 HB2 GLU 43 1HB GLU 43 14.107 -2.617 -6.056 205 HB3 GLU 43 2HB GLU 43 14.299 -3.917 -7.223 206 HG2 GLU 43 1HG GLU 43 11.884 -2.136 -7.034 207 HG3 GLU 43 2HG GLU 43 13.228 -1.894 -8.148 208 H LYS 44 H LYS 44 14.018 -3.660 -3.557 209 HA LYS 44 HA LYS 44 16.140 -5.571 -3.654 210 HB2 LYS 44 1HB LYS 44 16.455 -3.343 -2.698 211 HB3 LYS 44 2HB LYS 44 15.266 -3.694 -1.454 212 HG2 LYS 44 1HG LYS 44 16.711 -5.421 -0.536 213 HG3 LYS 44 2HG LYS 44 17.897 -5.116 -1.807 214 HD2 LYS 44 1HD LYS 44 18.523 -4.018 0.292 215 HD3 LYS 44 2HD LYS 44 18.211 -2.841 -0.985 216 HE2 LYS 44 1HE LYS 44 16.032 -2.361 -0.075 217 HE3 LYS 44 2HE LYS 44 16.207 -3.641 1.124 218 HZ1 LYS 44 1HZ LYS 44 17.801 -1.142 0.957 219 HZ2 LYS 44 2HZ LYS 44 18.096 -2.398 2.054 220 HZ3 LYS 44 3HZ LYS 44 16.647 -1.531 2.133 221 H ALA 45 H ALA 45 13.158 -5.249 -1.762 222 HA ALA 45 HA ALA 45 13.798 -7.692 -0.296 223 HB1 ALA 45 1HB ALA 45 11.852 -7.135 1.080 224 HB2 ALA 45 2HB ALA 45 11.507 -5.762 0.029 225 HB3 ALA 45 3HB ALA 45 12.990 -5.793 0.980 226 H ASN 46 H ASN 46 12.576 -7.146 -3.204 227 HA ASN 46 HA ASN 46 11.418 -8.381 -4.707 228 HB2 ASN 46 1HB ASN 46 11.475 -10.462 -2.511 229 HB3 ASN 46 2HB ASN 46 10.909 -10.765 -4.149 230 HD21 ASN 46 1HD2 ASN 46 12.467 -12.313 -4.518 231 HD22 ASN 46 2HD2 ASN 46 14.136 -11.920 -4.742 232 H LEU 47 H LEU 47 9.998 -6.525 -3.268 233 HA LEU 47 HA LEU 47 7.469 -7.786 -2.490 234 HB2 LEU 47 1HB LEU 47 8.096 -4.843 -2.400 235 HB3 LEU 47 2HB LEU 47 6.869 -5.714 -1.506 236 HG LEU 47 HG LEU 47 9.846 -5.834 -1.038 237 HD11 LEU 47 1HD1 LEU 47 7.597 -4.704 0.611 238 HD12 LEU 47 2HD1 LEU 47 8.826 -3.782 -0.256 239 HD13 LEU 47 3HD1 LEU 47 9.288 -4.804 1.105 240 HD21 LEU 47 1HD2 LEU 47 9.367 -7.278 0.834 241 HD22 LEU 47 2HD2 LEU 47 8.747 -8.012 -0.645 242 HD23 LEU 47 3HD2 LEU 47 7.643 -7.218 0.478 243 H GLU 48 H GLU 48 5.489 -7.173 -3.444 244 HA GLU 48 HA GLU 48 5.667 -6.494 -6.246 245 HB2 GLU 48 1HB GLU 48 4.113 -8.236 -5.366 246 HB3 GLU 48 2HB GLU 48 3.237 -6.981 -4.507 247 HG2 GLU 48 1HG GLU 48 1.984 -7.398 -6.427 248 HG3 GLU 48 2HG GLU 48 2.853 -5.903 -6.765 249 H LEU 49 H LEU 49 6.175 -4.352 -6.511 250 HA LEU 49 HA LEU 49 4.787 -2.350 -4.915 251 HB2 LEU 49 1HB LEU 49 7.309 -2.342 -5.576 252 HB3 LEU 49 2HB LEU 49 6.736 -1.742 -7.117 253 HG LEU 49 HG LEU 49 7.507 0.075 -5.670 254 HD11 LEU 49 1HD1 LEU 49 4.531 0.131 -6.081 255 HD12 LEU 49 2HD1 LEU 49 5.756 0.588 -7.264 256 HD13 LEU 49 3HD1 LEU 49 5.558 1.533 -5.788 257 HD21 LEU 49 1HD2 LEU 49 6.368 0.657 -3.624 258 HD22 LEU 49 2HD2 LEU 49 6.992 -0.989 -3.516 259 HD23 LEU 49 3HD2 LEU 49 5.276 -0.715 -3.811 260 H ILE 50 H ILE 50 2.881 -1.705 -5.559 261 HA ILE 50 HA ILE 50 2.357 -1.481 -8.448 262 HB ILE 50 HB ILE 50 0.463 -2.309 -6.252 263 HG12 ILE 50 1HG1 ILE 50 1.927 -4.108 -7.047 264 HG13 ILE 50 2HG1 ILE 50 0.256 -4.397 -7.517 265 HG21 ILE 50 1HG2 ILE 50 -0.700 -0.845 -7.754 266 HG22 ILE 50 2HG2 ILE 50 -1.240 -2.504 -8.012 267 HG23 ILE 50 3HG2 ILE 50 -0.119 -1.755 -9.148 268 HD11 ILE 50 1HD1 ILE 50 0.778 -3.566 -9.772 269 HD12 ILE 50 2HD1 ILE 50 1.738 -4.973 -9.322 270 HD13 ILE 50 3HD1 ILE 50 2.461 -3.366 -9.286 271 H THR 51 H THR 51 1.824 0.496 -9.112 272 HA THR 51 HA THR 51 1.071 2.488 -7.082 273 HB THR 51 HB THR 51 1.843 4.157 -8.841 274 HG1 THR 51 HG1 THR 51 1.845 2.439 -10.530 275 HG21 THR 51 1HG2 THR 51 3.874 2.248 -7.677 276 HG22 THR 51 2HG2 THR 51 3.202 3.677 -6.889 277 HG23 THR 51 3HG2 THR 51 4.234 3.855 -8.307 278 H VAL 52 H VAL 52 -1.172 2.389 -7.115 279 HA VAL 52 HA VAL 52 -2.379 3.181 -9.692 280 HB VAL 52 HB VAL 52 -3.659 1.405 -7.603 281 HG11 VAL 52 1HG1 VAL 52 -4.641 2.221 -10.329 282 HG12 VAL 52 2HG1 VAL 52 -5.272 2.784 -8.781 283 HG13 VAL 52 3HG1 VAL 52 -5.434 1.089 -9.233 284 HG21 VAL 52 1HG2 VAL 52 -2.542 0.713 -10.312 285 HG22 VAL 52 2HG2 VAL 52 -3.496 -0.372 -9.301 286 HG23 VAL 52 3HG2 VAL 52 -1.921 0.192 -8.748 287 HA PRO 53 HA PRO 53 -3.724 6.312 -6.643 288 HB2 PRO 53 1HB PRO 53 -2.513 8.445 -7.688 289 HB3 PRO 53 2HB PRO 53 -1.647 7.294 -6.667 290 HG2 PRO 53 1HG PRO 53 -1.530 7.676 -9.601 291 HG3 PRO 53 2HG PRO 53 -0.272 7.109 -8.492 292 HD2 PRO 53 1HD PRO 53 -1.973 5.532 -10.141 293 HD3 PRO 53 2HD PRO 53 -0.811 4.959 -8.930 294 H GLY 54 H GLY 54 -5.966 6.230 -7.427 295 HA2 GLY 54 1HA GLY 54 -6.278 8.625 -9.148 296 HA3 GLY 54 2HA GLY 54 -7.466 7.324 -9.151 297 H SER 55 H SER 55 -8.151 6.749 -6.794 298 HA SER 55 HA SER 55 -8.022 9.066 -5.001 299 HB2 SER 55 1HB SER 55 -10.118 6.886 -5.200 300 HB3 SER 55 2HB SER 55 -10.002 7.991 -3.833 301 HG SER 55 HG SER 55 -10.566 9.670 -5.099 302 HA PRO 56 HA PRO 56 -5.793 6.398 -2.100 303 HB2 PRO 56 1HB PRO 56 -8.045 6.547 -0.163 304 HB3 PRO 56 2HB PRO 56 -6.332 6.906 0.077 305 HG2 PRO 56 1HG PRO 56 -8.113 8.875 -0.096 306 HG3 PRO 56 2HG PRO 56 -6.513 9.030 -0.847 307 HD2 PRO 56 1HD PRO 56 -9.156 8.433 -2.118 308 HD3 PRO 56 2HD PRO 56 -7.826 9.452 -2.709 309 H GLU 57 H GLU 57 -9.223 5.789 -2.597 310 HA GLU 57 HA GLU 57 -9.173 3.118 -1.603 311 HB2 GLU 57 1HB GLU 57 -11.468 2.980 -2.627 312 HB3 GLU 57 2HB GLU 57 -11.244 4.242 -1.431 313 HG2 GLU 57 1HG GLU 57 -12.542 5.162 -3.170 314 HG3 GLU 57 2HG GLU 57 -10.934 5.855 -3.325 315 H GLU 58 H GLU 58 -8.282 4.484 -4.601 316 HA GLU 58 HA GLU 58 -9.105 2.389 -6.316 317 HB2 GLU 58 1HB GLU 58 -8.333 4.794 -6.901 318 HB3 GLU 58 2HB GLU 58 -6.711 4.123 -6.857 319 HG2 GLU 58 1HG GLU 58 -7.587 4.182 -9.125 320 HG3 GLU 58 2HG GLU 58 -7.301 2.526 -8.590 321 H ALA 59 H ALA 59 -6.128 3.061 -4.564 322 HA ALA 59 HA ALA 59 -4.718 0.781 -5.504 323 HB1 ALA 59 1HB ALA 59 -3.554 2.714 -4.578 324 HB2 ALA 59 2HB ALA 59 -3.159 1.254 -3.671 325 HB3 ALA 59 3HB ALA 59 -4.300 2.423 -3.006 326 H ILE 60 H ILE 60 -6.806 1.439 -2.750 327 HA ILE 60 HA ILE 60 -6.306 -0.981 -1.355 328 HB ILE 60 HB ILE 60 -8.807 0.705 -1.210 329 HG12 ILE 60 1HG1 ILE 60 -6.266 0.965 0.410 330 HG13 ILE 60 2HG1 ILE 60 -6.737 2.051 -0.894 331 HG21 ILE 60 1HG2 ILE 60 -7.517 -1.155 0.785 332 HG22 ILE 60 2HG2 ILE 60 -8.989 -1.474 -0.134 333 HG23 ILE 60 3HG2 ILE 60 -8.962 -0.183 1.069 334 HD11 ILE 60 1HD1 ILE 60 -8.303 1.600 1.631 335 HD12 ILE 60 2HD1 ILE 60 -8.675 2.757 0.354 336 HD13 ILE 60 3HD1 ILE 60 -7.221 2.958 1.330 337 H ARG 61 H ARG 61 -8.607 -0.042 -3.825 338 HA ARG 61 HA ARG 61 -10.301 -2.303 -3.595 339 HB2 ARG 61 1HB ARG 61 -10.694 -0.017 -4.755 340 HB3 ARG 61 2HB ARG 61 -9.876 -0.738 -6.130 341 HG2 ARG 61 1HG ARG 61 -12.185 -0.968 -6.510 342 HG3 ARG 61 2HG ARG 61 -11.602 -2.567 -6.063 343 HD2 ARG 61 1HD ARG 61 -12.801 -0.673 -4.068 344 HD3 ARG 61 2HD ARG 61 -13.795 -1.753 -5.041 345 HE ARG 61 HE ARG 61 -11.965 -3.412 -3.929 346 HH11 ARG 61 1HH1 ARG 61 -14.181 -1.025 -2.661 347 HH12 ARG 61 2HH1 ARG 61 -14.428 -1.856 -1.162 348 HH21 ARG 61 1HH2 ARG 61 -12.287 -4.526 -1.969 349 HH22 ARG 61 2HH2 ARG 61 -13.339 -3.855 -0.768 350 H LEU 62 H LEU 62 -7.438 -1.594 -5.558 351 HA LEU 62 HA LEU 62 -7.553 -4.122 -6.933 352 HB2 LEU 62 1HB LEU 62 -6.501 -2.182 -7.997 353 HB3 LEU 62 2HB LEU 62 -5.321 -2.094 -6.703 354 HG LEU 62 HG LEU 62 -4.465 -4.331 -7.392 355 HD11 LEU 62 1HD1 LEU 62 -5.090 -5.238 -9.553 356 HD12 LEU 62 2HD1 LEU 62 -6.281 -3.955 -9.765 357 HD13 LEU 62 3HD1 LEU 62 -6.494 -5.152 -8.490 358 HD21 LEU 62 1HD2 LEU 62 -4.454 -2.224 -9.543 359 HD22 LEU 62 2HD2 LEU 62 -3.291 -3.538 -9.370 360 HD23 LEU 62 3HD2 LEU 62 -3.386 -2.277 -8.141 361 H ALA 63 H ALA 63 -6.183 -2.829 -4.040 362 HA ALA 63 HA ALA 63 -4.255 -4.706 -3.386 363 HB1 ALA 63 1HB ALA 63 -6.191 -3.332 -1.522 364 HB2 ALA 63 2HB ALA 63 -4.663 -2.665 -2.095 365 HB3 ALA 63 3HB ALA 63 -4.670 -4.091 -1.058 366 H GLN 64 H GLN 64 -7.766 -4.811 -2.865 367 HA GLN 64 HA GLN 64 -7.796 -7.310 -1.576 368 HB2 GLN 64 1HB GLN 64 -9.750 -6.003 -1.348 369 HB3 GLN 64 2HB GLN 64 -9.919 -5.811 -3.089 370 HG2 GLN 64 1HG GLN 64 -10.530 -8.110 -3.349 371 HG3 GLN 64 2HG GLN 64 -10.173 -8.446 -1.658 372 HE21 GLN 64 1HE2 GLN 64 -11.396 -6.097 -0.605 373 HE22 GLN 64 2HE2 GLN 64 -13.107 -6.297 -0.775 374 H GLU 65 H GLU 65 -8.069 -6.402 -4.981 375 HA GLU 65 HA GLU 65 -8.631 -8.917 -6.065 376 HB2 GLU 65 1HB GLU 65 -7.063 -6.604 -7.205 377 HB3 GLU 65 2HB GLU 65 -7.538 -8.014 -8.137 378 HG2 GLU 65 1HG GLU 65 -9.917 -7.475 -7.562 379 HG3 GLU 65 2HG GLU 65 -9.332 -5.960 -6.873 380 H ILE 66 H ILE 66 -5.477 -7.350 -5.557 381 HA ILE 66 HA ILE 66 -3.953 -9.519 -6.519 382 HB ILE 66 HB ILE 66 -3.082 -7.417 -4.527 383 HG12 ILE 66 1HG1 ILE 66 -2.970 -7.411 -7.554 384 HG13 ILE 66 2HG1 ILE 66 -4.041 -6.420 -6.568 385 HG21 ILE 66 1HG2 ILE 66 -1.486 -9.122 -6.440 386 HG22 ILE 66 2HG2 ILE 66 -1.559 -9.325 -4.690 387 HG23 ILE 66 3HG2 ILE 66 -0.837 -7.871 -5.381 388 HD11 ILE 66 1HD1 ILE 66 -1.036 -6.267 -6.625 389 HD12 ILE 66 2HD1 ILE 66 -2.097 -5.285 -5.615 390 HD13 ILE 66 3HD1 ILE 66 -2.159 -5.130 -7.370 391 H ALA 67 H ALA 67 -5.142 -8.704 -3.296 392 HA ALA 67 HA ALA 67 -3.743 -10.752 -1.907 393 HB1 ALA 67 1HB ALA 67 -5.265 -10.290 -0.071 394 HB2 ALA 67 2HB ALA 67 -6.323 -9.383 -1.151 395 HB3 ALA 67 3HB ALA 67 -4.706 -8.780 -0.792 396 H GLU 68 H GLU 68 -6.926 -10.548 -3.389 397 HA GLU 68 HA GLU 68 -7.924 -13.053 -2.571 398 HB2 GLU 68 1HB GLU 68 -9.333 -11.262 -3.467 399 HB3 GLU 68 2HB GLU 68 -8.534 -11.391 -5.026 400 HG2 GLU 68 1HG GLU 68 -9.410 -13.686 -5.244 401 HG3 GLU 68 2HG GLU 68 -10.279 -13.467 -3.724 402 H LYS 69 H LYS 69 -5.955 -12.027 -5.273 403 HA LYS 69 HA LYS 69 -6.055 -14.679 -6.488 404 HB2 LYS 69 1HB LYS 69 -4.748 -12.141 -7.485 405 HB3 LYS 69 2HB LYS 69 -4.998 -13.619 -8.406 406 HG2 LYS 69 1HG LYS 69 -7.213 -11.927 -7.269 407 HG3 LYS 69 2HG LYS 69 -6.636 -11.826 -8.929 408 HD2 LYS 69 1HD LYS 69 -7.223 -14.206 -9.238 409 HD3 LYS 69 2HD LYS 69 -7.853 -14.244 -7.593 410 HE2 LYS 69 1HE LYS 69 -9.667 -13.965 -9.169 411 HE3 LYS 69 2HE LYS 69 -9.483 -12.508 -8.196 412 HZ1 LYS 69 1HZ LYS 69 -9.831 -11.981 -10.526 413 HZ2 LYS 69 2HZ LYS 69 -8.465 -12.876 -10.963 414 HZ3 LYS 69 3HZ LYS 69 -8.295 -11.477 -10.032 415 H ALA 70 H ALA 70 -4.555 -13.891 -3.973 416 HA ALA 70 HA ALA 70 -1.817 -14.537 -4.784 417 HB1 ALA 70 1HB ALA 70 -2.111 -12.653 -3.253 418 HB2 ALA 70 2HB ALA 70 -1.196 -13.962 -2.503 419 HB3 ALA 70 3HB ALA 70 -2.892 -13.725 -2.090 420 HA PRO 71 HA PRO 71 -2.747 -18.753 -3.487 421 HB2 PRO 71 1HB PRO 71 0.007 -19.291 -4.319 422 HB3 PRO 71 2HB PRO 71 -1.500 -19.949 -4.962 423 HG2 PRO 71 1HG PRO 71 0.009 -18.222 -6.370 424 HG3 PRO 71 2HG PRO 71 -1.761 -18.235 -6.468 425 HD2 PRO 71 1HD PRO 71 0.025 -16.403 -4.899 426 HD3 PRO 71 2HD PRO 71 -1.394 -16.010 -5.898 427 H GLY 72 H GLY 72 -2.754 -18.681 -1.314 428 HA2 GLY 72 1HA GLY 72 -1.757 -19.698 0.588 429 HA3 GLY 72 2HA GLY 72 -0.177 -19.286 -0.059 430 HA PRO 73 HA PRO 73 -0.832 -16.254 3.307 431 HB2 PRO 73 1HB PRO 73 2.107 -16.192 3.226 432 HB3 PRO 73 2HB PRO 73 1.029 -16.530 4.582 433 HG2 PRO 73 1HG PRO 73 2.508 -18.458 3.438 434 HG3 PRO 73 2HG PRO 73 0.886 -18.777 4.084 435 HD2 PRO 73 1HD PRO 73 1.748 -18.361 1.245 436 HD3 PRO 73 2HD PRO 73 0.595 -19.536 1.912 437 H VAL 74 H VAL 74 -1.007 -14.117 3.016 438 HA VAL 74 HA VAL 74 0.762 -12.732 1.173 439 HB VAL 74 HB VAL 74 -1.050 -13.432 -0.285 440 HG11 VAL 74 1HG1 VAL 74 -2.798 -13.766 1.366 441 HG12 VAL 74 2HG1 VAL 74 -3.359 -12.697 0.081 442 HG13 VAL 74 3HG1 VAL 74 -2.893 -12.027 1.644 443 HG21 VAL 74 1HG2 VAL 74 -0.063 -11.240 -0.688 444 HG22 VAL 74 2HG2 VAL 74 -1.250 -10.497 0.381 445 HG23 VAL 74 3HG2 VAL 74 -1.771 -11.252 -1.124 446 H LYS 75 H LYS 75 1.163 -10.683 1.741 447 HA LYS 75 HA LYS 75 -0.553 -9.418 3.776 448 HB2 LYS 75 1HB LYS 75 2.464 -9.311 3.583 449 HB3 LYS 75 2HB LYS 75 1.501 -8.334 4.679 450 HG2 LYS 75 1HG LYS 75 0.767 -10.308 5.852 451 HG3 LYS 75 2HG LYS 75 1.610 -11.341 4.696 452 HD2 LYS 75 1HD LYS 75 3.746 -10.352 5.377 453 HD3 LYS 75 2HD LYS 75 2.900 -9.327 6.538 454 HE2 LYS 75 1HE LYS 75 2.151 -11.280 7.762 455 HE3 LYS 75 2HE LYS 75 2.891 -12.344 6.566 456 HZ1 LYS 75 1HZ LYS 75 5.054 -11.453 7.176 457 HZ2 LYS 75 2HZ LYS 75 4.282 -12.121 8.523 458 HZ3 LYS 75 3HZ LYS 75 4.344 -10.441 8.331 459 H VAL 76 H VAL 76 -1.545 -7.763 2.800 460 HA VAL 76 HA VAL 76 -0.108 -6.337 0.668 461 HB VAL 76 HB VAL 76 -3.086 -6.496 1.140 462 HG11 VAL 76 1HG1 VAL 76 -2.483 -4.416 0.085 463 HG12 VAL 76 2HG1 VAL 76 -3.240 -5.477 -1.103 464 HG13 VAL 76 3HG1 VAL 76 -1.491 -5.266 -1.097 465 HG21 VAL 76 1HG2 VAL 76 -2.362 -8.633 0.408 466 HG22 VAL 76 2HG2 VAL 76 -1.291 -7.930 -0.802 467 HG23 VAL 76 3HG2 VAL 76 -3.039 -7.817 -1.003 468 H LEU 77 H LEU 77 0.449 -4.310 0.981 469 HA LEU 77 HA LEU 77 -0.827 -2.796 3.163 470 HB2 LEU 77 1HB LEU 77 1.475 -3.364 3.701 471 HB3 LEU 77 2HB LEU 77 2.023 -2.708 2.171 472 HG LEU 77 HG LEU 77 1.323 -0.454 2.908 473 HD11 LEU 77 1HD1 LEU 77 0.767 -1.808 5.540 474 HD12 LEU 77 2HD1 LEU 77 -0.439 -1.114 4.457 475 HD13 LEU 77 3HD1 LEU 77 0.748 -0.071 5.238 476 HD21 LEU 77 1HD2 LEU 77 3.624 -1.180 3.220 477 HD22 LEU 77 2HD2 LEU 77 3.204 -1.882 4.782 478 HD23 LEU 77 3HD2 LEU 77 3.113 -0.137 4.548 479 H VAL 78 H VAL 78 -1.763 -0.932 2.622 480 HA VAL 78 HA VAL 78 -1.177 0.208 -0.030 481 HB VAL 78 HB VAL 78 -3.628 0.628 1.690 482 HG11 VAL 78 1HG1 VAL 78 -3.124 2.577 0.332 483 HG12 VAL 78 2HG1 VAL 78 -4.552 1.752 -0.290 484 HG13 VAL 78 3HG1 VAL 78 -3.002 1.566 -1.108 485 HG21 VAL 78 1HG2 VAL 78 -4.811 -0.690 0.009 486 HG22 VAL 78 2HG2 VAL 78 -3.528 -1.634 0.766 487 HG23 VAL 78 3HG2 VAL 78 -3.297 -0.967 -0.851 488 H LEU 79 H LEU 79 -0.176 2.092 -0.113 489 HA LEU 79 HA LEU 79 0.198 3.556 2.405 490 HB2 LEU 79 1HB LEU 79 1.857 3.410 -0.103 491 HB3 LEU 79 2HB LEU 79 2.119 4.639 1.114 492 HG LEU 79 HG LEU 79 3.727 2.940 1.489 493 HD11 LEU 79 1HD1 LEU 79 3.221 2.163 3.722 494 HD12 LEU 79 2HD1 LEU 79 1.509 2.507 3.478 495 HD13 LEU 79 3HD1 LEU 79 2.678 3.828 3.514 496 HD21 LEU 79 1HD2 LEU 79 1.462 0.962 1.434 497 HD22 LEU 79 2HD2 LEU 79 3.142 0.587 1.820 498 HD23 LEU 79 3HD2 LEU 79 2.712 1.159 0.208 499 H ILE 80 H ILE 80 -1.429 4.978 2.527 500 HA ILE 80 HA ILE 80 -2.235 6.548 0.222 501 HB ILE 80 HB ILE 80 -3.121 6.803 3.105 502 HG12 ILE 80 1HG1 ILE 80 -4.469 5.353 0.812 503 HG13 ILE 80 2HG1 ILE 80 -3.601 4.566 2.126 504 HG21 ILE 80 1HG2 ILE 80 -4.321 7.867 0.550 505 HG22 ILE 80 2HG2 ILE 80 -3.536 8.816 1.812 506 HG23 ILE 80 3HG2 ILE 80 -5.056 7.987 2.149 507 HD11 ILE 80 1HD1 ILE 80 -5.997 4.484 2.480 508 HD12 ILE 80 2HD1 ILE 80 -6.083 6.244 2.405 509 HD13 ILE 80 3HD1 ILE 80 -5.214 5.457 3.723 510 H THR 81 H THR 81 -0.708 7.985 -0.356 511 HA THR 81 HA THR 81 1.051 9.198 1.540 512 HB THR 81 HB THR 81 1.889 10.452 -0.494 513 HG1 THR 81 HG1 THR 81 0.977 9.046 -2.441 514 HG21 THR 81 1HG2 THR 81 1.761 7.439 -0.606 515 HG22 THR 81 2HG2 THR 81 2.979 8.412 0.220 516 HG23 THR 81 3HG2 THR 81 2.874 8.435 -1.542 517 H GLY 82 H GLY 82 0.914 11.126 2.491 518 HA2 GLY 82 1HA GLY 82 0.413 13.372 2.746 519 HA3 GLY 82 2HA GLY 82 -0.491 13.317 1.240 520 H SER 83 H SER 83 -1.981 14.690 2.503 521 HA SER 83 HA SER 83 -3.516 13.376 4.562 522 HB2 SER 83 1HB SER 83 -4.869 15.515 4.463 523 HB3 SER 83 2HB SER 83 -3.164 15.721 4.862 524 HG SER 83 HG SER 83 -4.330 16.069 2.289 525 H ALA 84 H ALA 84 -5.264 12.180 4.238 526 HA ALA 84 HA ALA 84 -6.406 11.925 1.596 527 HB1 ALA 84 1HB ALA 84 -7.242 10.672 4.214 528 HB2 ALA 84 2HB ALA 84 -6.148 9.956 3.031 529 HB3 ALA 84 3HB ALA 84 -7.839 10.225 2.615 530 H ASP 85 H ASP 85 -8.036 13.114 0.843 531 HA ASP 85 HA ASP 85 -9.246 15.173 2.325 532 HB2 ASP 85 1HB ASP 85 -10.053 13.888 -0.287 533 HB3 ASP 85 2HB ASP 85 -10.858 15.301 0.386 534 HA PRO 86 HA PRO 86 -12.381 13.570 4.844 535 HB2 PRO 86 1HB PRO 86 -14.311 15.210 3.260 536 HB3 PRO 86 2HB PRO 86 -14.110 15.090 5.012 537 HG2 PRO 86 1HG PRO 86 -13.152 17.180 3.672 538 HG3 PRO 86 2HG PRO 86 -12.255 16.476 5.028 539 HD2 PRO 86 1HD PRO 86 -11.719 16.313 2.116 540 HD3 PRO 86 2HD PRO 86 -10.588 16.254 3.480 541 H ASP 87 H ASP 87 -13.666 13.901 1.517 542 HA ASP 87 HA ASP 87 -15.486 11.717 1.908 543 HB2 ASP 87 1HB ASP 87 -14.721 13.224 -0.597 544 HB3 ASP 87 2HB ASP 87 -15.992 12.011 -0.514 545 H GLU 88 H GLU 88 -12.334 12.133 0.503 546 HA GLU 88 HA GLU 88 -12.224 9.649 -0.865 547 HB2 GLU 88 1HB GLU 88 -9.960 11.348 0.205 548 HB3 GLU 88 2HB GLU 88 -9.813 10.068 -0.991 549 HG2 GLU 88 1HG GLU 88 -11.374 12.617 -1.340 550 HG3 GLU 88 2HG GLU 88 -9.774 12.292 -2.004 551 H LYS 89 H LYS 89 -11.467 10.719 2.382 552 HA LYS 89 HA LYS 89 -10.253 8.314 3.266 553 HB2 LYS 89 1HB LYS 89 -10.047 10.516 4.426 554 HB3 LYS 89 2HB LYS 89 -11.728 10.377 4.916 555 HG2 LYS 89 1HG LYS 89 -11.234 8.430 6.242 556 HG3 LYS 89 2HG LYS 89 -9.571 8.412 5.657 557 HD2 LYS 89 1HD LYS 89 -9.329 9.417 7.718 558 HD3 LYS 89 2HD LYS 89 -9.480 10.815 6.659 559 HE2 LYS 89 1HE LYS 89 -11.751 9.591 8.221 560 HE3 LYS 89 2HE LYS 89 -10.810 10.980 8.753 561 HZ1 LYS 89 1HZ LYS 89 -12.834 11.725 7.759 562 HZ2 LYS 89 2HZ LYS 89 -12.552 10.832 6.356 563 HZ3 LYS 89 3HZ LYS 89 -11.560 12.147 6.734 564 H THR 90 H THR 90 -13.568 9.455 3.086 565 HA THR 90 HA THR 90 -14.750 7.313 4.527 566 HB THR 90 HB THR 90 -16.023 8.993 2.359 567 HG1 THR 90 HG1 THR 90 -16.579 10.406 4.047 568 HG21 THR 90 1HG2 THR 90 -17.207 7.514 4.711 569 HG22 THR 90 2HG2 THR 90 -17.344 7.044 3.017 570 HG23 THR 90 3HG2 THR 90 -18.102 8.532 3.583 571 H LYS 91 H LYS 91 -14.130 7.901 1.086 572 HA LYS 91 HA LYS 91 -15.246 5.512 0.097 573 HB2 LYS 91 1HB LYS 91 -13.003 7.241 -0.958 574 HB3 LYS 91 2HB LYS 91 -13.667 5.875 -1.836 575 HG2 LYS 91 1HG LYS 91 -15.232 8.293 -0.972 576 HG3 LYS 91 2HG LYS 91 -14.578 8.021 -2.589 577 HD2 LYS 91 1HD LYS 91 -15.927 5.945 -2.731 578 HD3 LYS 91 2HD LYS 91 -16.646 6.345 -1.170 579 HE2 LYS 91 1HE LYS 91 -17.510 8.436 -2.115 580 HE3 LYS 91 2HE LYS 91 -16.808 8.014 -3.676 581 HZ1 LYS 91 1HZ LYS 91 -18.880 6.435 -2.253 582 HZ2 LYS 91 2HZ LYS 91 -18.232 6.082 -3.774 583 HZ3 LYS 91 3HZ LYS 91 -19.168 7.472 -3.557 584 H ALA 92 H ALA 92 -12.046 6.316 1.312 585 HA ALA 92 HA ALA 92 -10.835 3.824 0.725 586 HB1 ALA 92 1HB ALA 92 -10.064 5.857 2.817 587 HB2 ALA 92 2HB ALA 92 -9.555 5.885 1.130 588 HB3 ALA 92 3HB ALA 92 -9.040 4.568 2.184 589 H LYS 93 H LYS 93 -12.711 5.061 3.394 590 HA LYS 93 HA LYS 93 -12.153 3.095 5.304 591 HB2 LYS 93 1HB LYS 93 -13.369 5.204 5.773 592 HB3 LYS 93 2HB LYS 93 -14.745 4.593 4.870 593 HG2 LYS 93 1HG LYS 93 -15.023 2.793 6.487 594 HG3 LYS 93 2HG LYS 93 -13.624 3.382 7.389 595 HD2 LYS 93 1HD LYS 93 -14.788 5.516 7.764 596 HD3 LYS 93 2HD LYS 93 -16.190 4.892 6.897 597 HE2 LYS 93 1HE LYS 93 -15.028 3.686 9.404 598 HE3 LYS 93 2HE LYS 93 -16.422 4.762 9.356 599 HZ1 LYS 93 1HZ LYS 93 -16.263 2.141 7.973 600 HZ2 LYS 93 2HZ LYS 93 -17.615 3.152 8.055 601 HZ3 LYS 93 3HZ LYS 93 -17.033 2.402 9.454 602 H LYS 94 H LYS 94 -14.761 3.295 2.906 603 HA LYS 94 HA LYS 94 -15.907 0.786 3.505 604 HB2 LYS 94 1HB LYS 94 -16.017 2.461 0.995 605 HB3 LYS 94 2HB LYS 94 -17.007 1.035 1.273 606 HG2 LYS 94 1HG LYS 94 -18.105 2.097 3.128 607 HG3 LYS 94 2HG LYS 94 -17.025 3.488 3.019 608 HD2 LYS 94 1HD LYS 94 -19.172 4.009 2.013 609 HD3 LYS 94 2HD LYS 94 -17.910 3.981 0.781 610 HE2 LYS 94 1HE LYS 94 -19.861 2.873 -0.078 611 HE3 LYS 94 2HE LYS 94 -18.601 1.673 0.193 612 HZ1 LYS 94 1HZ LYS 94 -19.694 1.096 2.292 613 HZ2 LYS 94 2HZ LYS 94 -20.715 0.860 0.967 614 HZ3 LYS 94 3HZ LYS 94 -20.922 2.211 1.964 615 H ALA 95 H ALA 95 -13.500 1.799 1.119 616 HA ALA 95 HA ALA 95 -13.194 -0.653 -0.229 617 HB1 ALA 95 1HB ALA 95 -11.129 1.495 0.245 618 HB2 ALA 95 2HB ALA 95 -12.310 1.473 -1.063 619 HB3 ALA 95 3HB ALA 95 -11.060 0.232 -0.983 620 H ALA 96 H ALA 96 -11.423 0.733 2.536 621 HA ALA 96 HA ALA 96 -9.638 -1.441 2.842 622 HB1 ALA 96 1HB ALA 96 -10.446 0.609 4.896 623 HB2 ALA 96 2HB ALA 96 -9.179 0.820 3.689 624 HB3 ALA 96 3HB ALA 96 -9.008 -0.412 4.939 625 H GLU 97 H GLU 97 -12.728 -0.646 4.373 626 HA GLU 97 HA GLU 97 -12.797 -2.539 6.394 627 HB2 GLU 97 1HB GLU 97 -14.549 -0.708 5.411 628 HB3 GLU 97 2HB GLU 97 -15.306 -2.195 4.861 629 HG2 GLU 97 1HG GLU 97 -14.596 -1.540 7.712 630 HG3 GLU 97 2HG GLU 97 -16.202 -1.434 6.998 631 H GLU 98 H GLU 98 -13.630 -2.873 2.987 632 HA GLU 98 HA GLU 98 -14.339 -5.644 3.194 633 HB2 GLU 98 1HB GLU 98 -13.799 -3.871 0.812 634 HB3 GLU 98 2HB GLU 98 -14.411 -5.516 0.709 635 HG2 GLU 98 1HG GLU 98 -15.800 -3.275 2.150 636 HG3 GLU 98 2HG GLU 98 -16.151 -3.768 0.495 637 H ALA 99 H ALA 99 -11.468 -3.821 2.433 638 HA ALA 99 HA ALA 99 -10.076 -5.982 1.179 639 HB1 ALA 99 1HB ALA 99 -8.909 -3.449 2.308 640 HB2 ALA 99 2HB ALA 99 -9.645 -3.580 0.710 641 HB3 ALA 99 3HB ALA 99 -8.195 -4.510 1.093 642 H ARG 100 H ARG 100 -10.345 -4.779 4.458 643 HA ARG 100 HA ARG 100 -8.101 -6.095 5.550 644 HB2 ARG 100 1HB ARG 100 -10.713 -5.304 6.846 645 HB3 ARG 100 2HB ARG 100 -9.313 -5.890 7.730 646 HG2 ARG 100 1HG ARG 100 -8.011 -3.979 6.865 647 HG3 ARG 100 2HG ARG 100 -9.473 -3.376 6.082 648 HD2 ARG 100 1HD ARG 100 -9.034 -3.762 9.041 649 HD3 ARG 100 2HD ARG 100 -9.127 -2.227 8.182 650 HE ARG 100 HE ARG 100 -11.460 -3.955 8.001 651 HH11 ARG 100 1HH1 ARG 100 -9.928 -1.220 9.564 652 HH12 ARG 100 2HH1 ARG 100 -11.417 -0.579 10.178 653 HH21 ARG 100 1HH2 ARG 100 -13.423 -3.122 8.833 654 HH22 ARG 100 2HH2 ARG 100 -13.385 -1.670 9.792 655 H LYS 101 H LYS 101 -11.156 -7.238 4.509 656 HA LYS 101 HA LYS 101 -11.219 -9.680 5.967 657 HB2 LYS 101 1HB LYS 101 -13.227 -8.706 4.970 658 HB3 LYS 101 2HB LYS 101 -12.532 -8.860 3.367 659 HG2 LYS 101 1HG LYS 101 -14.176 -10.577 3.733 660 HG3 LYS 101 2HG LYS 101 -12.573 -11.299 3.595 661 HD2 LYS 101 1HD LYS 101 -12.440 -11.524 6.010 662 HD3 LYS 101 2HD LYS 101 -14.006 -10.730 6.188 663 HE2 LYS 101 1HE LYS 101 -14.273 -13.126 6.381 664 HE3 LYS 101 2HE LYS 101 -15.052 -12.549 4.910 665 HZ1 LYS 101 1HZ LYS 101 -13.766 -14.597 4.577 666 HZ2 LYS 101 2HZ LYS 101 -12.354 -13.779 5.016 667 HZ3 LYS 101 3HZ LYS 101 -13.193 -13.324 3.624 668 H TRP 102 H TRP 102 -9.286 -8.559 3.428 669 HA TRP 102 HA TRP 102 -8.551 -11.313 2.678 670 HB2 TRP 102 1HB TRP 102 -8.468 -8.808 0.981 671 HB3 TRP 102 2HB TRP 102 -7.843 -10.380 0.484 672 HD1 TRP 102 HD1 TRP 102 -11.138 -8.527 1.097 673 HE1 TRP 102 HE1 TRP 102 -13.053 -9.866 0.012 674 HE3 TRP 102 HE3 TRP 102 -8.540 -12.726 -0.229 675 HZ2 TRP 102 HZ2 TRP 102 -13.408 -12.368 -1.241 676 HZ3 TRP 102 HZ3 TRP 102 -9.743 -14.547 -1.364 677 HH2 TRP 102 HH2 TRP 102 -12.125 -14.370 -1.857 678 H ASN 103 H ASN 103 -7.560 -9.409 4.792 679 HA ASN 103 HA ASN 103 -5.602 -9.088 5.880 680 HB2 ASN 103 1HB ASN 103 -4.535 -10.848 3.687 681 HB3 ASN 103 2HB ASN 103 -3.481 -10.145 4.906 682 HD21 ASN 103 1HD2 ASN 103 -6.765 -11.350 5.350 683 HD22 ASN 103 2HD2 ASN 103 -6.335 -12.634 6.422 684 H VAL 104 H VAL 104 -6.562 -7.215 3.863 685 HA VAL 104 HA VAL 104 -4.060 -5.977 2.995 686 HB VAL 104 HB VAL 104 -6.909 -5.089 2.515 687 HG11 VAL 104 1HG1 VAL 104 -5.949 -3.587 0.838 688 HG12 VAL 104 2HG1 VAL 104 -4.329 -4.105 1.303 689 HG13 VAL 104 3HG1 VAL 104 -5.337 -3.228 2.453 690 HG21 VAL 104 1HG2 VAL 104 -6.435 -7.201 1.401 691 HG22 VAL 104 2HG2 VAL 104 -4.983 -6.509 0.678 692 HG23 VAL 104 3HG2 VAL 104 -6.572 -5.895 0.223 693 H ARG 105 H ARG 105 -3.174 -4.277 4.013 694 HA ARG 105 HA ARG 105 -4.774 -2.947 6.102 695 HB2 ARG 105 1HB ARG 105 -2.989 -4.298 7.100 696 HB3 ARG 105 2HB ARG 105 -1.796 -3.486 6.096 697 HG2 ARG 105 1HG ARG 105 -1.763 -2.606 8.354 698 HG3 ARG 105 2HG ARG 105 -2.293 -1.369 7.214 699 HD2 ARG 105 1HD ARG 105 -4.650 -1.940 7.819 700 HD3 ARG 105 2HD ARG 105 -4.016 -2.996 9.077 701 HE ARG 105 HE ARG 105 -3.094 -0.252 9.165 702 HH11 ARG 105 1HH1 ARG 105 -5.405 -2.606 10.324 703 HH12 ARG 105 2HH1 ARG 105 -5.857 -1.669 11.710 704 HH21 ARG 105 1HH2 ARG 105 -3.691 0.990 10.986 705 HH22 ARG 105 2HH2 ARG 105 -4.881 0.375 12.089 706 H VAL 106 H VAL 106 -4.952 -0.789 5.967 707 HA VAL 106 HA VAL 106 -3.357 0.563 3.903 708 HB VAL 106 HB VAL 106 -5.092 2.240 3.765 709 HG11 VAL 106 1HG1 VAL 106 -5.402 0.251 2.415 710 HG12 VAL 106 2HG1 VAL 106 -6.963 0.863 2.959 711 HG13 VAL 106 3HG1 VAL 106 -6.245 -0.546 3.741 712 HG21 VAL 106 1HG2 VAL 106 -6.518 0.722 5.948 713 HG22 VAL 106 2HG2 VAL 106 -7.158 2.105 5.062 714 HG23 VAL 106 3HG2 VAL 106 -5.759 2.304 6.119 715 H ARG 107 H ARG 107 -2.196 2.388 4.386 716 HA ARG 107 HA ARG 107 -2.328 3.454 7.108 717 HB2 ARG 107 1HB ARG 107 0.200 2.419 5.803 718 HB3 ARG 107 2HB ARG 107 0.175 3.413 7.253 719 HG2 ARG 107 1HG ARG 107 -1.089 1.678 8.423 720 HG3 ARG 107 2HG ARG 107 -1.069 0.684 6.968 721 HD2 ARG 107 1HD ARG 107 1.356 0.556 7.064 722 HD3 ARG 107 2HD ARG 107 1.372 1.612 8.475 723 HE ARG 107 HE ARG 107 -0.215 -0.462 9.229 724 HH11 ARG 107 1HH1 ARG 107 3.046 -0.248 7.966 725 HH12 ARG 107 2HH1 ARG 107 3.596 -1.654 8.813 726 HH21 ARG 107 1HH2 ARG 107 0.505 -2.307 10.336 727 HH22 ARG 107 2HH2 ARG 107 2.151 -2.829 10.160 728 H THR 108 H THR 108 -2.204 5.609 7.122 729 HA THR 108 HA THR 108 -1.781 7.021 4.639 730 HB THR 108 HB THR 108 -2.340 8.150 7.391 731 HG1 THR 108 HG1 THR 108 -4.526 8.324 6.114 732 HG21 THR 108 1HG2 THR 108 -2.694 9.342 4.636 733 HG22 THR 108 2HG2 THR 108 -1.456 9.796 5.809 734 HG23 THR 108 3HG2 THR 108 -3.158 10.106 6.157 735 H VAL 109 H VAL 109 0.079 7.886 3.999 736 HA VAL 109 HA VAL 109 2.345 7.772 5.863 737 HB VAL 109 HB VAL 109 2.960 8.393 3.070 738 HG11 VAL 109 1HG1 VAL 109 4.559 6.532 3.411 739 HG12 VAL 109 2HG1 VAL 109 3.880 6.302 5.027 740 HG13 VAL 109 3HG1 VAL 109 4.687 7.818 4.612 741 HG21 VAL 109 1HG2 VAL 109 1.690 5.737 3.711 742 HG22 VAL 109 2HG2 VAL 109 2.537 6.139 2.218 743 HG23 VAL 109 3HG2 VAL 109 1.041 6.973 2.633 744 H THR 110 H THR 110 2.714 9.640 6.862 745 HA THR 110 HA THR 110 2.012 12.161 5.647 746 HB THR 110 HB THR 110 3.036 13.040 7.852 747 HG1 THR 110 HG1 THR 110 3.992 11.518 8.969 748 HG21 THR 110 1HG2 THR 110 0.627 12.910 7.420 749 HG22 THR 110 2HG2 THR 110 0.995 12.480 9.090 750 HG23 THR 110 3HG2 THR 110 0.626 11.218 7.916 751 H SER 111 H SER 111 4.959 10.409 6.474 752 HA SER 111 HA SER 111 6.520 12.516 5.133 753 HB2 SER 111 1HB SER 111 7.408 10.782 7.455 754 HB3 SER 111 2HB SER 111 8.360 12.047 6.677 755 HG SER 111 HG SER 111 7.084 12.514 8.719 756 HA PRO 112 HA PRO 112 7.646 9.358 2.233 757 HB2 PRO 112 1HB PRO 112 9.965 10.546 1.342 758 HB3 PRO 112 2HB PRO 112 8.343 10.956 0.776 759 HG2 PRO 112 1HG PRO 112 10.047 12.333 2.808 760 HG3 PRO 112 2HG PRO 112 9.004 13.034 1.557 761 HD2 PRO 112 1HD PRO 112 8.241 12.921 4.128 762 HD3 PRO 112 2HD PRO 112 7.078 12.704 2.804 763 H ASP 113 H ASP 113 10.117 10.598 4.476 764 HA ASP 113 HA ASP 113 11.930 8.448 4.140 765 HB2 ASP 113 1HB ASP 113 12.646 10.518 5.212 766 HB3 ASP 113 2HB ASP 113 11.491 10.258 6.521 767 H GLU 114 H GLU 114 9.180 8.981 6.222 768 HA GLU 114 HA GLU 114 9.675 6.705 7.861 769 HB2 GLU 114 1HB GLU 114 8.311 8.862 8.379 770 HB3 GLU 114 2HB GLU 114 6.988 8.004 7.597 771 HG2 GLU 114 1HG GLU 114 6.812 7.633 9.934 772 HG3 GLU 114 2HG GLU 114 7.359 6.131 9.190 773 H ALA 115 H ALA 115 8.036 7.284 4.852 774 HA ALA 115 HA ALA 115 6.444 5.002 4.649 775 HB1 ALA 115 1HB ALA 115 6.498 6.838 2.989 776 HB2 ALA 115 2HB ALA 115 6.633 5.241 2.254 777 HB3 ALA 115 3HB ALA 115 8.066 6.253 2.436 778 H LYS 116 H LYS 116 9.881 5.478 4.050 779 HA LYS 116 HA LYS 116 10.625 2.932 3.233 780 HB2 LYS 116 1HB LYS 116 12.265 4.623 3.173 781 HB3 LYS 116 2HB LYS 116 12.010 5.049 4.859 782 HG2 LYS 116 1HG LYS 116 13.078 3.001 5.574 783 HG3 LYS 116 2HG LYS 116 13.255 2.480 3.897 784 HD2 LYS 116 1HD LYS 116 15.337 3.431 4.838 785 HD3 LYS 116 2HD LYS 116 14.746 4.323 3.435 786 HE2 LYS 116 1HE LYS 116 15.496 5.855 5.162 787 HE3 LYS 116 2HE LYS 116 13.758 5.999 4.928 788 HZ1 LYS 116 1HZ LYS 116 15.111 4.522 7.119 789 HZ2 LYS 116 2HZ LYS 116 13.439 4.598 6.890 790 HZ3 LYS 116 3HZ LYS 116 14.302 6.000 7.262 791 H ARG 117 H ARG 117 10.267 4.194 6.540 792 HA ARG 117 HA ARG 117 10.908 1.770 7.853 793 HB2 ARG 117 1HB ARG 117 10.921 3.898 9.049 794 HB3 ARG 117 2HB ARG 117 9.191 4.079 8.787 795 HG2 ARG 117 1HG ARG 117 8.909 1.914 10.066 796 HG3 ARG 117 2HG ARG 117 10.604 2.078 10.522 797 HD2 ARG 117 1HD ARG 117 8.450 4.116 11.052 798 HD3 ARG 117 2HD ARG 117 9.061 2.959 12.226 799 HE ARG 117 HE ARG 117 10.596 5.191 11.066 800 HH11 ARG 117 1HH1 ARG 117 10.073 2.803 13.581 801 HH12 ARG 117 2HH1 ARG 117 11.265 3.474 14.646 802 HH21 ARG 117 1HH2 ARG 117 12.167 6.083 12.481 803 HH22 ARG 117 2HH2 ARG 117 12.451 5.341 14.024 804 H TRP 118 H TRP 118 7.835 3.222 6.875 805 HA TRP 118 HA TRP 118 6.053 1.415 7.960 806 HB2 TRP 118 1HB TRP 118 6.018 3.391 5.806 807 HB3 TRP 118 2HB TRP 118 4.886 2.069 5.546 808 HD1 TRP 118 HD1 TRP 118 3.396 1.549 7.983 809 HE1 TRP 118 HE1 TRP 118 2.096 3.310 9.326 810 HE3 TRP 118 HE3 TRP 118 5.802 5.768 6.390 811 HZ2 TRP 118 HZ2 TRP 118 2.081 6.086 9.681 812 HZ3 TRP 118 HZ3 TRP 118 5.071 7.940 7.283 813 HH2 TRP 118 HH2 TRP 118 3.251 8.095 8.896 814 H ILE 119 H ILE 119 7.670 1.232 4.798 815 HA ILE 119 HA ILE 119 6.479 -1.223 4.027 816 HB ILE 119 HB ILE 119 9.089 0.020 3.137 817 HG12 ILE 119 1HG1 ILE 119 6.338 0.034 1.874 818 HG13 ILE 119 2HG1 ILE 119 7.093 1.395 2.697 819 HG21 ILE 119 1HG2 ILE 119 7.508 -2.226 1.886 820 HG22 ILE 119 2HG2 ILE 119 9.077 -2.374 2.675 821 HG23 ILE 119 3HG2 ILE 119 8.926 -1.451 1.181 822 HD11 ILE 119 1HD1 ILE 119 7.239 1.628 0.290 823 HD12 ILE 119 2HD1 ILE 119 8.086 0.085 0.178 824 HD13 ILE 119 3HD1 ILE 119 8.843 1.450 1.000 825 H LYS 120 H LYS 120 9.565 -0.429 5.574 826 HA LYS 120 HA LYS 120 10.641 -3.008 5.657 827 HB2 LYS 120 1HB LYS 120 11.952 -0.977 6.102 828 HB3 LYS 120 2HB LYS 120 11.057 -0.720 7.593 829 HG2 LYS 120 1HG LYS 120 13.198 -1.670 8.110 830 HG3 LYS 120 2HG LYS 120 11.942 -2.861 8.451 831 HD2 LYS 120 1HD LYS 120 12.399 -3.891 6.234 832 HD3 LYS 120 2HD LYS 120 13.743 -2.764 6.033 833 HE2 LYS 120 1HE LYS 120 13.450 -4.830 8.210 834 HE3 LYS 120 2HE LYS 120 14.535 -4.923 6.825 835 HZ1 LYS 120 1HZ LYS 120 15.673 -2.945 7.655 836 HZ2 LYS 120 2HZ LYS 120 15.717 -4.204 8.781 837 HZ3 LYS 120 3HZ LYS 120 14.653 -2.912 9.005 838 H GLU 121 H GLU 121 8.559 -1.305 7.951 839 HA GLU 121 HA GLU 121 8.631 -3.269 9.980 840 HB2 GLU 121 1HB GLU 121 6.587 -1.146 9.340 841 HB3 GLU 121 2HB GLU 121 6.537 -2.146 10.784 842 HG2 GLU 121 1HG GLU 121 8.838 -0.357 10.053 843 HG3 GLU 121 2HG GLU 121 7.515 0.113 11.119 844 H PHE 122 H PHE 122 6.464 -2.776 7.231 845 HA PHE 122 HA PHE 122 4.605 -4.767 8.118 846 HB2 PHE 122 1HB PHE 122 4.070 -2.741 6.682 847 HB3 PHE 122 2HB PHE 122 4.800 -3.616 5.339 848 HD1 PHE 122 HD1 PHE 122 2.067 -3.703 7.819 849 HD2 PHE 122 HD2 PHE 122 3.596 -5.267 4.171 850 HE1 PHE 122 HE1 PHE 122 -0.083 -4.821 7.405 851 HE2 PHE 122 HE2 PHE 122 1.448 -6.388 3.748 852 HZ PHE 122 HZ PHE 122 -0.395 -6.167 5.365 853 H SER 123 H SER 123 7.320 -4.691 5.896 854 HA SER 123 HA SER 123 6.729 -7.262 4.761 855 HB2 SER 123 1HB SER 123 7.938 -5.519 3.491 856 HB3 SER 123 2HB SER 123 9.278 -5.629 4.630 857 HG SER 123 HG SER 123 8.426 -7.990 3.415 858 H GLU 124 H GLU 124 8.567 -6.086 7.471 859 HA GLU 124 HA GLU 124 10.145 -8.497 7.698 860 HB2 GLU 124 1HB GLU 124 10.956 -6.170 8.283 861 HB3 GLU 124 2HB GLU 124 9.921 -6.255 9.701 862 HG2 GLU 124 1HG GLU 124 12.171 -6.805 10.316 863 HG3 GLU 124 2HG GLU 124 11.161 -8.244 10.452 864 H GLU 125 H GLU 125 7.370 -7.031 9.331 865 HA GLU 125 HA GLU 125 7.305 -9.184 11.282 866 HB2 GLU 125 1HB GLU 125 5.519 -6.771 10.930 867 HB3 GLU 125 2HB GLU 125 5.353 -7.954 12.220 868 HG2 GLU 125 1HG GLU 125 7.697 -6.126 11.744 869 HG3 GLU 125 2HG GLU 125 6.503 -6.004 13.035 Start of MODEL 18 1 HA MET 21 HA MET 21 3.054 -15.720 1.541 2 HB2 MET 21 1HB MET 21 4.400 -14.209 3.032 3 HB3 MET 21 2HB MET 21 4.566 -15.920 3.386 4 HG2 MET 21 1HG MET 21 6.697 -15.913 2.110 5 HG3 MET 21 2HG MET 21 6.538 -14.167 1.940 6 HE1 MET 21 1HE MET 21 6.796 -12.956 5.653 7 HE2 MET 21 2HE MET 21 5.316 -13.344 4.779 8 HE3 MET 21 3HE MET 21 6.615 -12.471 3.968 9 H ARG 22 H ARG 22 2.159 -14.431 0.113 10 HA ARG 22 HA ARG 22 3.795 -12.961 -1.778 11 HB2 ARG 22 1HB ARG 22 1.705 -14.250 -2.394 12 HB3 ARG 22 2HB ARG 22 0.783 -13.014 -1.553 13 HG2 ARG 22 1HG ARG 22 0.768 -12.582 -3.922 14 HG3 ARG 22 2HG ARG 22 1.684 -11.322 -3.094 15 HD2 ARG 22 1HD ARG 22 3.769 -12.386 -3.720 16 HD3 ARG 22 2HD ARG 22 2.893 -13.721 -4.464 17 HE ARG 22 HE ARG 22 1.946 -11.835 -5.948 18 HH11 ARG 22 1HH1 ARG 22 5.201 -12.020 -4.687 19 HH12 ARG 22 2HH1 ARG 22 5.896 -11.126 -5.999 20 HH21 ARG 22 1HH2 ARG 22 2.862 -10.666 -7.694 21 HH22 ARG 22 2HH2 ARG 22 4.570 -10.346 -7.703 22 H LEU 23 H LEU 23 4.702 -11.200 -0.830 23 HA LEU 23 HA LEU 23 3.037 -9.442 0.798 24 HB2 LEU 23 1HB LEU 23 5.971 -9.233 0.115 25 HB3 LEU 23 2HB LEU 23 5.110 -8.236 1.270 26 HG LEU 23 HG LEU 23 5.629 -11.202 1.526 27 HD11 LEU 23 1HD1 LEU 23 6.742 -8.839 3.029 28 HD12 LEU 23 2HD1 LEU 23 7.620 -9.866 1.897 29 HD13 LEU 23 3HD1 LEU 23 7.033 -10.532 3.422 30 HD21 LEU 23 1HD2 LEU 23 3.493 -10.653 2.509 31 HD22 LEU 23 2HD2 LEU 23 4.208 -9.294 3.376 32 HD23 LEU 23 3HD2 LEU 23 4.676 -10.944 3.783 33 H VAL 24 H VAL 24 1.945 -7.856 -0.119 34 HA VAL 24 HA VAL 24 2.898 -6.786 -2.700 35 HB VAL 24 HB VAL 24 0.021 -7.115 -1.830 36 HG11 VAL 24 1HG1 VAL 24 1.140 -6.307 -4.512 37 HG12 VAL 24 2HG1 VAL 24 0.461 -5.193 -3.325 38 HG13 VAL 24 3HG1 VAL 24 -0.562 -6.422 -4.065 39 HG21 VAL 24 1HG2 VAL 24 -0.114 -8.852 -3.555 40 HG22 VAL 24 2HG2 VAL 24 1.039 -9.276 -2.290 41 HG23 VAL 24 3HG2 VAL 24 1.617 -8.690 -3.850 42 H VAL 25 H VAL 25 2.902 -4.607 -2.965 43 HA VAL 25 HA VAL 25 1.805 -2.955 -0.786 44 HB VAL 25 HB VAL 25 4.511 -2.595 -2.096 45 HG11 VAL 25 1HG1 VAL 25 3.140 -0.932 0.012 46 HG12 VAL 25 2HG1 VAL 25 3.470 -0.448 -1.651 47 HG13 VAL 25 3HG1 VAL 25 4.804 -0.726 -0.532 48 HG21 VAL 25 1HG2 VAL 25 4.531 -4.385 -0.457 49 HG22 VAL 25 2HG2 VAL 25 3.779 -3.327 0.737 50 HG23 VAL 25 3HG2 VAL 25 5.409 -2.984 0.158 51 H LEU 26 H LEU 26 0.407 -1.495 -1.580 52 HA LEU 26 HA LEU 26 0.934 -0.412 -4.275 53 HB2 LEU 26 1HB LEU 26 -1.694 -0.567 -2.785 54 HB3 LEU 26 2HB LEU 26 -1.463 0.321 -4.280 55 HG LEU 26 HG LEU 26 -0.652 -2.050 -5.151 56 HD11 LEU 26 1HD1 LEU 26 -2.532 -2.727 -2.896 57 HD12 LEU 26 2HD1 LEU 26 -0.853 -3.244 -3.069 58 HD13 LEU 26 3HD1 LEU 26 -2.081 -3.829 -4.195 59 HD21 LEU 26 1HD2 LEU 26 -3.534 -1.256 -4.793 60 HD22 LEU 26 2HD2 LEU 26 -2.922 -2.422 -5.965 61 HD23 LEU 26 3HD2 LEU 26 -2.458 -0.725 -6.086 62 H ILE 27 H ILE 27 1.086 1.785 -4.512 63 HA ILE 27 HA ILE 27 1.005 3.348 -2.008 64 HB ILE 27 HB ILE 27 3.324 2.700 -2.615 65 HG12 ILE 27 1HG1 ILE 27 2.707 4.911 -1.451 66 HG13 ILE 27 2HG1 ILE 27 4.326 4.754 -2.116 67 HG21 ILE 27 1HG2 ILE 27 3.144 2.614 -5.004 68 HG22 ILE 27 2HG2 ILE 27 4.421 3.742 -4.544 69 HG23 ILE 27 3HG2 ILE 27 2.856 4.352 -5.081 70 HD11 ILE 27 1HD1 ILE 27 3.656 6.069 -4.054 71 HD12 ILE 27 2HD1 ILE 27 3.405 6.947 -2.547 72 HD13 ILE 27 3HD1 ILE 27 2.032 6.225 -3.386 73 H VAL 28 H VAL 28 -0.163 5.187 -2.147 74 HA VAL 28 HA VAL 28 -0.975 6.093 -4.839 75 HB VAL 28 HB VAL 28 -2.349 6.668 -2.205 76 HG11 VAL 28 1HG1 VAL 28 -3.267 7.083 -5.047 77 HG12 VAL 28 2HG1 VAL 28 -2.769 8.345 -3.922 78 HG13 VAL 28 3HG1 VAL 28 -4.221 7.397 -3.599 79 HG21 VAL 28 1HG2 VAL 28 -2.452 4.287 -2.698 80 HG22 VAL 28 2HG2 VAL 28 -3.073 4.638 -4.312 81 HG23 VAL 28 3HG2 VAL 28 -4.036 5.038 -2.889 82 H SER 29 H SER 29 0.672 7.488 -5.289 83 HA SER 29 HA SER 29 0.450 10.151 -4.329 84 HB2 SER 29 1HB SER 29 3.029 8.692 -3.648 85 HB3 SER 29 2HB SER 29 2.750 10.417 -3.464 86 HG SER 29 HG SER 29 0.827 9.044 -2.196 87 H ASN 30 H ASN 30 1.754 11.600 -5.699 88 HA ASN 30 HA ASN 30 3.379 10.155 -7.686 89 HB2 ASN 30 1HB ASN 30 1.290 11.047 -8.721 90 HB3 ASN 30 2HB ASN 30 1.784 12.667 -8.242 91 HD21 ASN 30 1HD2 ASN 30 2.380 10.004 -10.382 92 HD22 ASN 30 2HD2 ASN 30 3.414 10.854 -11.477 93 H ASP 31 H ASP 31 5.037 10.503 -6.140 94 HA ASP 31 HA ASP 31 6.324 13.106 -6.579 95 HB2 ASP 31 1HB ASP 31 5.679 12.914 -4.211 96 HB3 ASP 31 2HB ASP 31 6.528 11.378 -4.100 97 H LYS 32 H LYS 32 8.178 12.915 -7.692 98 HA LYS 32 HA LYS 32 8.953 10.418 -8.736 99 HB2 LYS 32 1HB LYS 32 10.454 13.040 -8.726 100 HB3 LYS 32 2HB LYS 32 10.878 11.640 -9.702 101 HG2 LYS 32 1HG LYS 32 8.767 11.792 -10.885 102 HG3 LYS 32 2HG LYS 32 8.278 13.148 -9.870 103 HD2 LYS 32 1HD LYS 32 10.194 14.445 -10.731 104 HD3 LYS 32 2HD LYS 32 10.604 13.094 -11.792 105 HE2 LYS 32 1HE LYS 32 8.409 13.292 -12.871 106 HE3 LYS 32 2HE LYS 32 8.024 14.657 -11.826 107 HZ1 LYS 32 1HZ LYS 32 10.219 14.556 -13.820 108 HZ2 LYS 32 2HZ LYS 32 9.894 15.859 -12.796 109 HZ3 LYS 32 3HZ LYS 32 8.771 15.413 -13.976 110 H LYS 33 H LYS 33 10.020 12.170 -5.942 111 HA LYS 33 HA LYS 33 12.414 10.639 -5.548 112 HB2 LYS 33 1HB LYS 33 12.332 12.859 -4.650 113 HB3 LYS 33 2HB LYS 33 10.841 12.520 -3.791 114 HG2 LYS 33 1HG LYS 33 12.090 10.895 -2.388 115 HG3 LYS 33 2HG LYS 33 13.572 11.419 -3.188 116 HD2 LYS 33 1HD LYS 33 13.460 12.636 -1.166 117 HD3 LYS 33 2HD LYS 33 12.999 13.766 -2.437 118 HE2 LYS 33 1HE LYS 33 10.978 12.231 -0.817 119 HE3 LYS 33 2HE LYS 33 11.608 13.793 -0.305 120 HZ1 LYS 33 1HZ LYS 33 10.824 14.597 -2.579 121 HZ2 LYS 33 2HZ LYS 33 9.647 14.291 -1.414 122 HZ3 LYS 33 3HZ LYS 33 9.912 13.170 -2.654 123 H LEU 34 H LEU 34 9.254 10.777 -3.922 124 HA LEU 34 HA LEU 34 9.660 8.682 -2.120 125 HB2 LEU 34 1HB LEU 34 7.848 10.194 -1.796 126 HB3 LEU 34 2HB LEU 34 7.161 9.800 -3.355 127 HG LEU 34 HG LEU 34 6.603 7.546 -2.543 128 HD11 LEU 34 1HD1 LEU 34 6.757 7.030 -0.164 129 HD12 LEU 34 2HD1 LEU 34 7.614 8.546 0.108 130 HD13 LEU 34 3HD1 LEU 34 8.351 7.281 -0.875 131 HD21 LEU 34 1HD2 LEU 34 4.954 9.326 -2.400 132 HD22 LEU 34 2HD2 LEU 34 5.573 9.788 -0.814 133 HD23 LEU 34 3HD2 LEU 34 4.800 8.218 -1.036 134 H ILE 35 H ILE 35 8.030 8.588 -5.298 135 HA ILE 35 HA ILE 35 7.224 5.918 -5.124 136 HB ILE 35 HB ILE 35 7.798 7.554 -7.597 137 HG12 ILE 35 1HG1 ILE 35 5.222 6.919 -6.134 138 HG13 ILE 35 2HG1 ILE 35 6.040 8.478 -6.151 139 HG21 ILE 35 1HG2 ILE 35 6.411 5.916 -8.784 140 HG22 ILE 35 2HG2 ILE 35 6.312 4.944 -7.316 141 HG23 ILE 35 3HG2 ILE 35 7.866 5.176 -8.117 142 HD11 ILE 35 1HD1 ILE 35 4.083 8.341 -7.654 143 HD12 ILE 35 2HD1 ILE 35 4.937 7.120 -8.595 144 HD13 ILE 35 3HD1 ILE 35 5.582 8.756 -8.481 145 H GLU 36 H GLU 36 10.179 7.303 -6.566 146 HA GLU 36 HA GLU 36 11.190 4.807 -7.432 147 HB2 GLU 36 1HB GLU 36 12.651 7.365 -6.782 148 HB3 GLU 36 2HB GLU 36 13.377 5.970 -7.568 149 HG2 GLU 36 1HG GLU 36 11.200 7.743 -8.626 150 HG3 GLU 36 2HG GLU 36 12.832 7.530 -9.259 151 H GLU 37 H GLU 37 11.808 6.723 -4.493 152 HA GLU 37 HA GLU 37 13.741 5.021 -3.396 153 HB2 GLU 37 1HB GLU 37 13.314 7.304 -2.569 154 HB3 GLU 37 2HB GLU 37 11.763 6.780 -1.931 155 HG2 GLU 37 1HG GLU 37 12.818 5.367 -0.327 156 HG3 GLU 37 2HG GLU 37 14.399 5.622 -1.062 157 H ALA 38 H ALA 38 10.223 5.041 -3.094 158 HA ALA 38 HA ALA 38 10.010 2.930 -1.243 159 HB1 ALA 38 1HB ALA 38 8.041 3.765 -3.372 160 HB2 ALA 38 2HB ALA 38 8.159 4.453 -1.752 161 HB3 ALA 38 3HB ALA 38 7.687 2.767 -1.962 162 H ARG 39 H ARG 39 10.082 2.974 -4.789 163 HA ARG 39 HA ARG 39 9.633 0.191 -5.092 164 HB2 ARG 39 1HB ARG 39 9.234 1.744 -6.934 165 HB3 ARG 39 2HB ARG 39 10.945 2.147 -6.987 166 HG2 ARG 39 1HG ARG 39 11.531 0.031 -7.820 167 HG3 ARG 39 2HG ARG 39 9.964 -0.659 -7.398 168 HD2 ARG 39 1HD ARG 39 10.138 -0.294 -9.797 169 HD3 ARG 39 2HD ARG 39 8.887 0.726 -9.093 170 HE ARG 39 HE ARG 39 11.026 2.362 -9.113 171 HH11 ARG 39 1HH1 ARG 39 9.633 0.298 -11.570 172 HH12 ARG 39 2HH1 ARG 39 10.073 1.338 -12.885 173 HH21 ARG 39 1HH2 ARG 39 11.602 3.765 -10.842 174 HH22 ARG 39 2HH2 ARG 39 11.189 3.311 -12.470 175 H LYS 40 H LYS 40 12.568 2.155 -4.857 176 HA LYS 40 HA LYS 40 14.479 0.156 -5.218 177 HB2 LYS 40 1HB LYS 40 14.556 2.474 -3.269 178 HB3 LYS 40 2HB LYS 40 15.946 1.519 -3.758 179 HG2 LYS 40 1HG LYS 40 14.272 3.177 -5.631 180 HG3 LYS 40 2HG LYS 40 15.779 3.711 -4.889 181 HD2 LYS 40 1HD LYS 40 16.973 1.883 -5.988 182 HD3 LYS 40 2HD LYS 40 15.463 1.331 -6.718 183 HE2 LYS 40 1HE LYS 40 16.797 2.645 -8.295 184 HE3 LYS 40 2HE LYS 40 15.263 3.430 -7.931 185 HZ1 LYS 40 1HZ LYS 40 17.891 4.133 -6.745 186 HZ2 LYS 40 2HZ LYS 40 16.419 4.882 -6.382 187 HZ3 LYS 40 3HZ LYS 40 17.072 5.014 -7.935 188 H MET 41 H MET 41 12.736 1.150 -2.304 189 HA MET 41 HA MET 41 13.917 -0.704 -0.546 190 HB2 MET 41 1HB MET 41 11.279 0.749 -0.468 191 HB3 MET 41 2HB MET 41 11.823 -0.303 0.831 192 HG2 MET 41 1HG MET 41 13.212 2.176 -0.155 193 HG3 MET 41 2HG MET 41 12.294 2.010 1.341 194 HE1 MET 41 1HE MET 41 14.531 -0.637 3.262 195 HE2 MET 41 2HE MET 41 13.252 -1.031 2.115 196 HE3 MET 41 3HE MET 41 13.017 0.266 3.288 197 H ALA 42 H ALA 42 10.943 -0.884 -2.493 198 HA ALA 42 HA ALA 42 10.081 -3.387 -1.588 199 HB1 ALA 42 1HB ALA 42 8.838 -3.523 -3.711 200 HB2 ALA 42 2HB ALA 42 9.722 -2.111 -4.293 201 HB3 ALA 42 3HB ALA 42 8.647 -1.970 -2.901 202 H GLU 43 H GLU 43 12.366 -2.528 -4.158 203 HA GLU 43 HA GLU 43 12.742 -5.181 -5.081 204 HB2 GLU 43 1HB GLU 43 14.514 -2.749 -5.297 205 HB3 GLU 43 2HB GLU 43 14.832 -4.274 -6.115 206 HG2 GLU 43 1HG GLU 43 12.453 -2.474 -6.520 207 HG3 GLU 43 2HG GLU 43 13.790 -2.732 -7.639 208 H LYS 44 H LYS 44 14.309 -3.254 -2.588 209 HA LYS 44 HA LYS 44 16.396 -5.073 -2.002 210 HB2 LYS 44 1HB LYS 44 15.039 -3.038 -0.226 211 HB3 LYS 44 2HB LYS 44 16.513 -3.897 0.189 212 HG2 LYS 44 1HG LYS 44 17.673 -2.843 -1.670 213 HG3 LYS 44 2HG LYS 44 16.185 -2.019 -2.143 214 HD2 LYS 44 1HD LYS 44 16.149 -0.883 0.046 215 HD3 LYS 44 2HD LYS 44 17.669 -1.673 0.463 216 HE2 LYS 44 1HE LYS 44 17.262 0.201 -1.864 217 HE3 LYS 44 2HE LYS 44 17.978 0.647 -0.317 218 HZ1 LYS 44 1HZ LYS 44 19.065 -1.383 -2.195 219 HZ2 LYS 44 2HZ LYS 44 19.761 -0.926 -0.723 220 HZ3 LYS 44 3HZ LYS 44 19.659 0.187 -1.992 221 H ALA 45 H ALA 45 13.087 -4.757 -0.817 222 HA ALA 45 HA ALA 45 13.522 -6.941 1.078 223 HB1 ALA 45 1HB ALA 45 11.370 -6.293 2.030 224 HB2 ALA 45 2HB ALA 45 11.171 -5.089 0.755 225 HB3 ALA 45 3HB ALA 45 12.475 -4.922 1.930 226 H ASN 46 H ASN 46 12.903 -6.915 -2.017 227 HA ASN 46 HA ASN 46 11.905 -8.273 -3.529 228 HB2 ASN 46 1HB ASN 46 12.034 -10.100 -1.146 229 HB3 ASN 46 2HB ASN 46 11.379 -10.640 -2.688 230 HD21 ASN 46 1HD2 ASN 46 12.972 -12.124 -3.069 231 HD22 ASN 46 2HD2 ASN 46 14.603 -11.679 -3.442 232 H LEU 47 H LEU 47 10.182 -6.430 -2.444 233 HA LEU 47 HA LEU 47 7.658 -7.859 -1.989 234 HB2 LEU 47 1HB LEU 47 8.175 -4.887 -1.926 235 HB3 LEU 47 2HB LEU 47 6.736 -5.715 -1.369 236 HG LEU 47 HG LEU 47 9.472 -5.867 -0.111 237 HD11 LEU 47 1HD1 LEU 47 8.298 -3.737 0.221 238 HD12 LEU 47 2HD1 LEU 47 8.447 -4.653 1.719 239 HD13 LEU 47 3HD1 LEU 47 6.908 -4.613 0.861 240 HD21 LEU 47 1HD2 LEU 47 6.868 -7.140 0.718 241 HD22 LEU 47 2HD2 LEU 47 8.359 -7.139 1.660 242 HD23 LEU 47 3HD2 LEU 47 8.294 -7.984 0.112 243 H GLU 48 H GLU 48 5.834 -7.480 -3.301 244 HA GLU 48 HA GLU 48 6.414 -6.515 -5.991 245 HB2 GLU 48 1HB GLU 48 5.102 -8.576 -5.771 246 HB3 GLU 48 2HB GLU 48 3.903 -7.727 -4.806 247 HG2 GLU 48 1HG GLU 48 3.049 -7.982 -7.015 248 HG3 GLU 48 2HG GLU 48 3.426 -6.280 -6.763 249 H LEU 49 H LEU 49 6.537 -4.326 -5.946 250 HA LEU 49 HA LEU 49 4.476 -2.830 -4.515 251 HB2 LEU 49 1HB LEU 49 7.102 -2.379 -4.568 252 HB3 LEU 49 2HB LEU 49 6.673 -1.479 -6.007 253 HG LEU 49 HG LEU 49 5.596 -0.976 -3.225 254 HD11 LEU 49 1HD1 LEU 49 7.489 0.621 -4.935 255 HD12 LEU 49 2HD1 LEU 49 7.917 -0.290 -3.488 256 HD13 LEU 49 3HD1 LEU 49 6.850 1.107 -3.366 257 HD21 LEU 49 1HD2 LEU 49 4.577 1.017 -4.177 258 HD22 LEU 49 2HD2 LEU 49 3.935 -0.445 -4.928 259 HD23 LEU 49 3HD2 LEU 49 5.125 0.538 -5.783 260 H ILE 50 H ILE 50 2.748 -2.233 -5.559 261 HA ILE 50 HA ILE 50 2.917 -1.798 -8.463 262 HB ILE 50 HB ILE 50 0.628 -2.727 -6.741 263 HG12 ILE 50 1HG1 ILE 50 1.968 -3.860 -9.206 264 HG13 ILE 50 2HG1 ILE 50 2.201 -4.426 -7.557 265 HG21 ILE 50 1HG2 ILE 50 -0.807 -2.597 -8.728 266 HG22 ILE 50 2HG2 ILE 50 0.493 -1.785 -9.602 267 HG23 ILE 50 3HG2 ILE 50 -0.252 -1.007 -8.202 268 HD11 ILE 50 1HD1 ILE 50 0.723 -5.882 -8.822 269 HD12 ILE 50 2HD1 ILE 50 -0.377 -4.531 -9.102 270 HD13 ILE 50 3HD1 ILE 50 -0.118 -5.134 -7.466 271 H THR 51 H THR 51 3.024 0.257 -8.957 272 HA THR 51 HA THR 51 2.080 2.277 -7.102 273 HB THR 51 HB THR 51 3.183 3.844 -8.741 274 HG1 THR 51 HG1 THR 51 3.062 2.589 -10.616 275 HG21 THR 51 1HG2 THR 51 4.875 1.575 -7.685 276 HG22 THR 51 2HG2 THR 51 4.431 3.042 -6.814 277 HG23 THR 51 3HG2 THR 51 5.490 3.140 -8.218 278 H VAL 52 H VAL 52 -0.165 2.371 -7.270 279 HA VAL 52 HA VAL 52 -1.137 3.382 -9.859 280 HB VAL 52 HB VAL 52 -2.578 1.393 -8.081 281 HG11 VAL 52 1HG1 VAL 52 -4.151 3.009 -8.973 282 HG12 VAL 52 2HG1 VAL 52 -4.371 1.437 -9.739 283 HG13 VAL 52 3HG1 VAL 52 -3.540 2.731 -10.605 284 HG21 VAL 52 1HG2 VAL 52 -0.840 0.410 -9.516 285 HG22 VAL 52 2HG2 VAL 52 -1.622 1.115 -10.928 286 HG23 VAL 52 3HG2 VAL 52 -2.458 -0.111 -9.978 287 HA PRO 53 HA PRO 53 -2.891 6.274 -6.834 288 HB2 PRO 53 1HB PRO 53 -1.614 8.504 -7.596 289 HB3 PRO 53 2HB PRO 53 -0.899 7.377 -6.440 290 HG2 PRO 53 1HG PRO 53 -0.241 7.832 -9.292 291 HG3 PRO 53 2HG PRO 53 0.806 7.296 -7.968 292 HD2 PRO 53 1HD PRO 53 -0.438 5.679 -9.945 293 HD3 PRO 53 2HD PRO 53 0.461 5.127 -8.519 294 H GLY 54 H GLY 54 -4.895 6.030 -8.076 295 HA2 GLY 54 1HA GLY 54 -5.081 8.405 -9.829 296 HA3 GLY 54 2HA GLY 54 -6.056 6.968 -10.117 297 H SER 55 H SER 55 -7.087 6.243 -7.880 298 HA SER 55 HA SER 55 -8.056 8.609 -6.433 299 HB2 SER 55 1HB SER 55 -9.437 5.927 -6.714 300 HB3 SER 55 2HB SER 55 -10.048 7.325 -5.832 301 HG SER 55 HG SER 55 -9.441 7.378 -8.607 302 HA PRO 56 HA PRO 56 -6.235 6.851 -2.686 303 HB2 PRO 56 1HB PRO 56 -8.914 7.395 -1.487 304 HB3 PRO 56 2HB PRO 56 -7.310 7.834 -0.897 305 HG2 PRO 56 1HG PRO 56 -8.866 9.677 -1.994 306 HG3 PRO 56 2HG PRO 56 -7.128 9.649 -2.343 307 HD2 PRO 56 1HD PRO 56 -9.415 8.731 -4.037 308 HD3 PRO 56 2HD PRO 56 -7.924 9.567 -4.514 309 H GLU 57 H GLU 57 -9.694 6.156 -3.166 310 HA GLU 57 HA GLU 57 -9.689 3.639 -1.889 311 HB2 GLU 57 1HB GLU 57 -11.702 5.023 -2.244 312 HB3 GLU 57 2HB GLU 57 -11.591 4.725 -3.972 313 HG2 GLU 57 1HG GLU 57 -11.752 2.242 -3.341 314 HG3 GLU 57 2HG GLU 57 -12.324 2.830 -1.780 315 H GLU 58 H GLU 58 -8.733 4.594 -5.061 316 HA GLU 58 HA GLU 58 -9.444 2.320 -6.526 317 HB2 GLU 58 1HB GLU 58 -8.820 4.346 -7.652 318 HB3 GLU 58 2HB GLU 58 -7.210 4.299 -6.948 319 HG2 GLU 58 1HG GLU 58 -6.518 2.581 -8.330 320 HG3 GLU 58 2HG GLU 58 -8.169 2.066 -8.677 321 H ALA 59 H ALA 59 -6.256 3.121 -5.111 322 HA ALA 59 HA ALA 59 -5.114 0.608 -5.660 323 HB1 ALA 59 1HB ALA 59 -3.370 1.249 -4.085 324 HB2 ALA 59 2HB ALA 59 -4.371 2.580 -3.506 325 HB3 ALA 59 3HB ALA 59 -3.773 2.584 -5.166 326 H ILE 60 H ILE 60 -7.055 1.795 -2.986 327 HA ILE 60 HA ILE 60 -6.618 -0.292 -1.148 328 HB ILE 60 HB ILE 60 -9.259 1.124 -1.541 329 HG12 ILE 60 1HG1 ILE 60 -7.446 2.795 -1.434 330 HG13 ILE 60 2HG1 ILE 60 -8.478 2.857 -0.011 331 HG21 ILE 60 1HG2 ILE 60 -9.315 -0.755 -0.011 332 HG22 ILE 60 2HG2 ILE 60 -9.500 0.760 0.874 333 HG23 ILE 60 3HG2 ILE 60 -7.954 -0.088 0.889 334 HD11 ILE 60 1HD1 ILE 60 -6.823 1.752 1.306 335 HD12 ILE 60 2HD1 ILE 60 -6.068 3.107 0.466 336 HD13 ILE 60 3HD1 ILE 60 -5.823 1.459 -0.114 337 H ARG 61 H ARG 61 -9.082 0.131 -3.649 338 HA ARG 61 HA ARG 61 -10.387 -2.341 -3.228 339 HB2 ARG 61 1HB ARG 61 -11.325 -0.317 -4.385 340 HB3 ARG 61 2HB ARG 61 -10.308 -0.702 -5.764 341 HG2 ARG 61 1HG ARG 61 -11.470 -2.814 -6.056 342 HG3 ARG 61 2HG ARG 61 -12.463 -2.476 -4.637 343 HD2 ARG 61 1HD ARG 61 -13.309 -0.445 -5.758 344 HD3 ARG 61 2HD ARG 61 -12.378 -0.874 -7.191 345 HE ARG 61 HE ARG 61 -14.009 -3.047 -6.539 346 HH11 ARG 61 1HH1 ARG 61 -14.330 0.268 -7.619 347 HH12 ARG 61 2HH1 ARG 61 -15.815 -0.017 -8.469 348 HH21 ARG 61 1HH2 ARG 61 -15.964 -3.431 -7.654 349 HH22 ARG 61 2HH2 ARG 61 -16.747 -2.128 -8.490 350 H LEU 62 H LEU 62 -7.761 -1.314 -5.331 351 HA LEU 62 HA LEU 62 -7.573 -3.721 -6.818 352 HB2 LEU 62 1HB LEU 62 -6.644 -1.562 -7.570 353 HB3 LEU 62 2HB LEU 62 -5.459 -1.637 -6.281 354 HG LEU 62 HG LEU 62 -4.447 -3.620 -7.301 355 HD11 LEU 62 1HD1 LEU 62 -5.156 -4.349 -9.534 356 HD12 LEU 62 2HD1 LEU 62 -6.525 -3.240 -9.451 357 HD13 LEU 62 3HD1 LEU 62 -6.417 -4.594 -8.326 358 HD21 LEU 62 1HD2 LEU 62 -4.813 -1.335 -9.234 359 HD22 LEU 62 2HD2 LEU 62 -3.530 -2.542 -9.298 360 HD23 LEU 62 3HD2 LEU 62 -3.620 -1.420 -7.940 361 H ALA 63 H ALA 63 -6.192 -2.622 -3.793 362 HA ALA 63 HA ALA 63 -4.256 -4.574 -3.371 363 HB1 ALA 63 1HB ALA 63 -4.533 -2.633 -1.922 364 HB2 ALA 63 2HB ALA 63 -4.561 -4.126 -0.984 365 HB3 ALA 63 3HB ALA 63 -6.065 -3.279 -1.336 366 H GLN 64 H GLN 64 -7.716 -4.632 -2.639 367 HA GLN 64 HA GLN 64 -7.788 -7.208 -1.499 368 HB2 GLN 64 1HB GLN 64 -9.626 -5.689 -1.169 369 HB3 GLN 64 2HB GLN 64 -9.914 -5.586 -2.901 370 HG2 GLN 64 1HG GLN 64 -10.552 -7.947 -2.927 371 HG3 GLN 64 2HG GLN 64 -10.288 -8.029 -1.185 372 HE21 GLN 64 1HE2 GLN 64 -11.744 -7.049 0.194 373 HE22 GLN 64 2HE2 GLN 64 -13.299 -6.525 -0.334 374 H GLU 65 H GLU 65 -8.210 -6.059 -4.810 375 HA GLU 65 HA GLU 65 -8.921 -8.474 -6.034 376 HB2 GLU 65 1HB GLU 65 -8.996 -6.231 -7.112 377 HB3 GLU 65 2HB GLU 65 -7.241 -6.246 -7.200 378 HG2 GLU 65 1HG GLU 65 -7.345 -8.233 -8.631 379 HG3 GLU 65 2HG GLU 65 -9.106 -8.173 -8.566 380 H ILE 66 H ILE 66 -5.710 -7.010 -5.570 381 HA ILE 66 HA ILE 66 -4.261 -9.106 -6.765 382 HB ILE 66 HB ILE 66 -3.366 -7.148 -4.643 383 HG12 ILE 66 1HG1 ILE 66 -2.959 -6.990 -7.630 384 HG13 ILE 66 2HG1 ILE 66 -4.331 -6.236 -6.821 385 HG21 ILE 66 1HG2 ILE 66 -1.765 -8.841 -6.560 386 HG22 ILE 66 2HG2 ILE 66 -1.838 -9.028 -4.809 387 HG23 ILE 66 3HG2 ILE 66 -1.103 -7.589 -5.513 388 HD11 ILE 66 1HD1 ILE 66 -2.406 -4.726 -7.297 389 HD12 ILE 66 2HD1 ILE 66 -1.470 -5.653 -6.123 390 HD13 ILE 66 3HD1 ILE 66 -2.914 -4.782 -5.611 391 H ALA 67 H ALA 67 -5.388 -8.594 -3.467 392 HA ALA 67 HA ALA 67 -3.956 -10.712 -2.262 393 HB1 ALA 67 1HB ALA 67 -6.592 -9.513 -1.422 394 HB2 ALA 67 2HB ALA 67 -5.000 -8.901 -0.977 395 HB3 ALA 67 3HB ALA 67 -5.524 -10.488 -0.415 396 H GLU 68 H GLU 68 -7.202 -10.524 -3.661 397 HA GLU 68 HA GLU 68 -7.936 -13.204 -3.117 398 HB2 GLU 68 1HB GLU 68 -9.560 -11.427 -3.642 399 HB3 GLU 68 2HB GLU 68 -8.920 -11.325 -5.276 400 HG2 GLU 68 1HG GLU 68 -9.624 -13.655 -5.663 401 HG3 GLU 68 2HG GLU 68 -10.337 -13.680 -4.050 402 H LYS 69 H LYS 69 -6.117 -11.678 -5.652 403 HA LYS 69 HA LYS 69 -6.171 -14.076 -7.319 404 HB2 LYS 69 1HB LYS 69 -4.994 -11.336 -7.810 405 HB3 LYS 69 2HB LYS 69 -5.029 -12.648 -8.981 406 HG2 LYS 69 1HG LYS 69 -7.511 -11.494 -7.745 407 HG3 LYS 69 2HG LYS 69 -6.809 -10.877 -9.237 408 HD2 LYS 69 1HD LYS 69 -6.991 -13.181 -10.184 409 HD3 LYS 69 2HD LYS 69 -7.846 -13.661 -8.717 410 HE2 LYS 69 1HE LYS 69 -8.718 -11.527 -10.660 411 HE3 LYS 69 2HE LYS 69 -9.398 -13.146 -10.532 412 HZ1 LYS 69 1HZ LYS 69 -10.106 -12.623 -8.274 413 HZ2 LYS 69 2HZ LYS 69 -10.770 -11.541 -9.388 414 HZ3 LYS 69 3HZ LYS 69 -9.473 -11.061 -8.421 415 H ALA 70 H ALA 70 -4.538 -13.388 -4.706 416 HA ALA 70 HA ALA 70 -1.822 -13.846 -5.649 417 HB1 ALA 70 1HB ALA 70 -2.220 -12.248 -3.828 418 HB2 ALA 70 2HB ALA 70 -1.185 -13.582 -3.314 419 HB3 ALA 70 3HB ALA 70 -2.884 -13.553 -2.841 420 HA PRO 71 HA PRO 71 -2.047 -18.197 -4.816 421 HB2 PRO 71 1HB PRO 71 0.568 -18.817 -4.740 422 HB3 PRO 71 2HB PRO 71 -0.235 -18.347 -6.242 423 HG2 PRO 71 1HG PRO 71 1.542 -16.747 -4.459 424 HG3 PRO 71 2HG PRO 71 1.436 -16.753 -6.228 425 HD2 PRO 71 1HD PRO 71 0.272 -14.860 -4.569 426 HD3 PRO 71 2HD PRO 71 -0.225 -15.197 -6.236 427 H GLY 72 H GLY 72 -2.885 -18.508 -2.811 428 HA2 GLY 72 1HA GLY 72 -2.792 -19.435 -0.707 429 HA3 GLY 72 2HA GLY 72 -1.042 -19.408 -0.818 430 HA PRO 73 HA PRO 73 -1.704 -16.403 2.464 431 HB2 PRO 73 1HB PRO 73 0.907 -16.208 3.190 432 HB3 PRO 73 2HB PRO 73 -0.137 -17.541 3.696 433 HG2 PRO 73 1HG PRO 73 1.884 -17.448 1.494 434 HG3 PRO 73 2HG PRO 73 1.555 -18.742 2.660 435 HD2 PRO 73 1HD PRO 73 0.641 -18.793 0.107 436 HD3 PRO 73 2HD PRO 73 -0.234 -19.541 1.456 437 H VAL 74 H VAL 74 -1.867 -14.271 2.224 438 HA VAL 74 HA VAL 74 0.143 -12.848 0.636 439 HB VAL 74 HB VAL 74 -1.743 -13.295 -0.865 440 HG11 VAL 74 1HG1 VAL 74 -3.408 -11.779 1.139 441 HG12 VAL 74 2HG1 VAL 74 -3.526 -13.500 0.772 442 HG13 VAL 74 3HG1 VAL 74 -3.945 -12.307 -0.457 443 HG21 VAL 74 1HG2 VAL 74 -1.607 -10.397 -0.046 444 HG22 VAL 74 2HG2 VAL 74 -2.163 -11.014 -1.600 445 HG23 VAL 74 3HG2 VAL 74 -0.478 -11.217 -1.123 446 H LYS 75 H LYS 75 0.550 -10.758 1.283 447 HA LYS 75 HA LYS 75 -1.061 -9.643 3.467 448 HB2 LYS 75 1HB LYS 75 1.033 -10.884 4.304 449 HB3 LYS 75 2HB LYS 75 1.954 -9.589 3.550 450 HG2 LYS 75 1HG LYS 75 0.894 -7.954 4.972 451 HG3 LYS 75 2HG LYS 75 -0.136 -9.199 5.681 452 HD2 LYS 75 1HD LYS 75 2.056 -10.357 6.342 453 HD3 LYS 75 2HD LYS 75 2.826 -8.810 5.982 454 HE2 LYS 75 1HE LYS 75 0.619 -9.287 7.982 455 HE3 LYS 75 2HE LYS 75 2.315 -8.990 8.354 456 HZ1 LYS 75 1HZ LYS 75 0.918 -7.013 8.609 457 HZ2 LYS 75 2HZ LYS 75 0.528 -7.067 6.966 458 HZ3 LYS 75 3HZ LYS 75 2.127 -6.789 7.450 459 H VAL 76 H VAL 76 -1.799 -7.802 2.594 460 HA VAL 76 HA VAL 76 -0.057 -6.371 0.703 461 HB VAL 76 HB VAL 76 -3.045 -6.062 0.948 462 HG11 VAL 76 1HG1 VAL 76 -1.093 -5.326 -1.224 463 HG12 VAL 76 2HG1 VAL 76 -1.946 -4.217 -0.150 464 HG13 VAL 76 3HG1 VAL 76 -2.845 -5.163 -1.337 465 HG21 VAL 76 1HG2 VAL 76 -1.508 -7.898 -0.885 466 HG22 VAL 76 2HG2 VAL 76 -3.224 -7.527 -1.032 467 HG23 VAL 76 3HG2 VAL 76 -2.624 -8.374 0.394 468 H LEU 77 H LEU 77 0.411 -4.266 0.964 469 HA LEU 77 HA LEU 77 -0.894 -2.791 3.156 470 HB2 LEU 77 1HB LEU 77 1.333 -3.408 3.891 471 HB3 LEU 77 2HB LEU 77 2.031 -2.807 2.400 472 HG LEU 77 HG LEU 77 1.319 -0.509 3.045 473 HD11 LEU 77 1HD1 LEU 77 -0.519 -1.110 4.536 474 HD12 LEU 77 2HD1 LEU 77 0.655 -0.072 5.342 475 HD13 LEU 77 3HD1 LEU 77 0.631 -1.803 5.678 476 HD21 LEU 77 1HD2 LEU 77 3.091 -1.931 5.024 477 HD22 LEU 77 2HD2 LEU 77 3.054 -0.193 4.730 478 HD23 LEU 77 3HD2 LEU 77 3.589 -1.291 3.458 479 H VAL 78 H VAL 78 -1.661 -0.824 2.590 480 HA VAL 78 HA VAL 78 -0.810 0.255 -0.020 481 HB VAL 78 HB VAL 78 -3.475 0.778 1.297 482 HG11 VAL 78 1HG1 VAL 78 -2.398 1.377 -1.453 483 HG12 VAL 78 2HG1 VAL 78 -2.805 2.543 -0.195 484 HG13 VAL 78 3HG1 VAL 78 -4.077 1.599 -0.966 485 HG21 VAL 78 1HG2 VAL 78 -4.435 -0.726 -0.395 486 HG22 VAL 78 2HG2 VAL 78 -3.347 -1.574 0.704 487 HG23 VAL 78 3HG2 VAL 78 -2.807 -1.153 -0.921 488 H LEU 79 H LEU 79 0.039 2.213 -0.062 489 HA LEU 79 HA LEU 79 0.128 3.728 2.465 490 HB2 LEU 79 1HB LEU 79 2.036 3.677 0.126 491 HB3 LEU 79 2HB LEU 79 2.174 4.783 1.473 492 HG LEU 79 HG LEU 79 3.750 3.050 1.800 493 HD11 LEU 79 1HD1 LEU 79 1.389 2.497 3.584 494 HD12 LEU 79 2HD1 LEU 79 2.579 3.778 3.811 495 HD13 LEU 79 3HD1 LEU 79 3.071 2.088 3.925 496 HD21 LEU 79 1HD2 LEU 79 1.510 1.078 1.431 497 HD22 LEU 79 2HD2 LEU 79 3.159 0.680 1.915 498 HD23 LEU 79 3HD2 LEU 79 2.851 1.368 0.321 499 H ILE 80 H ILE 80 -1.072 5.524 2.497 500 HA ILE 80 HA ILE 80 -1.485 6.955 -0.050 501 HB ILE 80 HB ILE 80 -3.225 7.113 2.425 502 HG12 ILE 80 1HG1 ILE 80 -4.921 6.056 0.735 503 HG13 ILE 80 2HG1 ILE 80 -3.475 5.500 -0.096 504 HG21 ILE 80 1HG2 ILE 80 -3.221 9.168 1.137 505 HG22 ILE 80 2HG2 ILE 80 -4.773 8.348 0.978 506 HG23 ILE 80 3HG2 ILE 80 -3.595 8.271 -0.333 507 HD11 ILE 80 1HD1 ILE 80 -4.330 3.777 1.359 508 HD12 ILE 80 2HD1 ILE 80 -4.254 4.869 2.741 509 HD13 ILE 80 3HD1 ILE 80 -2.769 4.344 1.949 510 H THR 81 H THR 81 0.171 8.410 -0.064 511 HA THR 81 HA THR 81 0.926 9.780 2.380 512 HB THR 81 HB THR 81 2.030 10.248 -0.392 513 HG1 THR 81 HG1 THR 81 2.834 8.311 -0.219 514 HG21 THR 81 1HG2 THR 81 3.221 10.686 2.353 515 HG22 THR 81 2HG2 THR 81 2.615 11.947 1.277 516 HG23 THR 81 3HG2 THR 81 4.026 10.998 0.814 517 H GLY 82 H GLY 82 0.367 11.803 2.926 518 HA2 GLY 82 1HA GLY 82 -0.049 14.107 2.173 519 HA3 GLY 82 2HA GLY 82 -1.047 13.422 0.899 520 H SER 83 H SER 83 -2.649 14.949 1.789 521 HA SER 83 HA SER 83 -3.976 13.834 4.164 522 HB2 SER 83 1HB SER 83 -4.161 16.611 2.976 523 HB3 SER 83 2HB SER 83 -5.084 16.046 4.368 524 HG SER 83 HG SER 83 -2.399 16.734 4.164 525 H ALA 84 H ALA 84 -5.432 12.392 3.490 526 HA ALA 84 HA ALA 84 -6.835 12.608 1.014 527 HB1 ALA 84 1HB ALA 84 -6.314 10.436 2.018 528 HB2 ALA 84 2HB ALA 84 -8.049 10.627 1.764 529 HB3 ALA 84 3HB ALA 84 -7.368 10.812 3.381 530 H ASP 85 H ASP 85 -8.673 13.615 0.587 531 HA ASP 85 HA ASP 85 -9.906 15.353 2.427 532 HB2 ASP 85 1HB ASP 85 -10.798 14.316 -0.267 533 HB3 ASP 85 2HB ASP 85 -11.720 15.502 0.651 534 HA PRO 86 HA PRO 86 -12.452 12.974 5.050 535 HB2 PRO 86 1HB PRO 86 -14.590 14.859 4.125 536 HB3 PRO 86 2HB PRO 86 -14.211 14.313 5.764 537 HG2 PRO 86 1HG PRO 86 -13.386 16.692 4.931 538 HG3 PRO 86 2HG PRO 86 -12.330 15.671 5.922 539 HD2 PRO 86 1HD PRO 86 -12.171 16.303 3.025 540 HD3 PRO 86 2HD PRO 86 -10.875 15.903 4.170 541 H ASP 87 H ASP 87 -14.218 13.924 2.086 542 HA ASP 87 HA ASP 87 -16.030 11.807 2.039 543 HB2 ASP 87 1HB ASP 87 -14.874 13.565 -0.093 544 HB3 ASP 87 2HB ASP 87 -15.887 12.202 -0.549 545 H GLU 88 H GLU 88 -12.899 12.057 0.365 546 HA GLU 88 HA GLU 88 -13.033 9.432 -0.719 547 HB2 GLU 88 1HB GLU 88 -10.636 11.237 -0.350 548 HB3 GLU 88 2HB GLU 88 -10.703 9.810 -1.375 549 HG2 GLU 88 1HG GLU 88 -12.401 10.864 -2.760 550 HG3 GLU 88 2HG GLU 88 -12.374 12.286 -1.720 551 H LYS 89 H LYS 89 -11.717 10.795 2.221 552 HA LYS 89 HA LYS 89 -10.217 8.532 3.037 553 HB2 LYS 89 1HB LYS 89 -9.971 10.820 3.993 554 HB3 LYS 89 2HB LYS 89 -11.537 10.632 4.768 555 HG2 LYS 89 1HG LYS 89 -10.690 8.809 6.116 556 HG3 LYS 89 2HG LYS 89 -9.132 8.896 5.291 557 HD2 LYS 89 1HD LYS 89 -8.833 11.187 6.126 558 HD3 LYS 89 2HD LYS 89 -10.375 11.070 6.975 559 HE2 LYS 89 1HE LYS 89 -8.029 9.239 7.455 560 HE3 LYS 89 2HE LYS 89 -8.373 10.678 8.410 561 HZ1 LYS 89 1HZ LYS 89 -10.497 9.707 9.037 562 HZ2 LYS 89 2HZ LYS 89 -9.220 8.694 9.479 563 HZ3 LYS 89 3HZ LYS 89 -10.161 8.322 8.126 564 H THR 90 H THR 90 -13.581 9.325 3.103 565 HA THR 90 HA THR 90 -14.284 7.180 4.912 566 HB THR 90 HB THR 90 -16.109 8.852 3.167 567 HG1 THR 90 HG1 THR 90 -14.898 10.166 4.612 568 HG21 THR 90 1HG2 THR 90 -16.661 7.254 5.675 569 HG22 THR 90 2HG2 THR 90 -17.133 6.793 4.040 570 HG23 THR 90 3HG2 THR 90 -17.834 8.228 4.789 571 H LYS 91 H LYS 91 -14.281 7.821 1.442 572 HA LYS 91 HA LYS 91 -15.558 5.451 0.603 573 HB2 LYS 91 1HB LYS 91 -13.438 7.083 -0.812 574 HB3 LYS 91 2HB LYS 91 -14.439 5.852 -1.568 575 HG2 LYS 91 1HG LYS 91 -15.445 8.405 -0.324 576 HG3 LYS 91 2HG LYS 91 -15.229 8.111 -2.050 577 HD2 LYS 91 1HD LYS 91 -16.878 6.318 -1.965 578 HD3 LYS 91 2HD LYS 91 -17.073 6.569 -0.230 579 HE2 LYS 91 1HE LYS 91 -17.822 8.882 -0.691 580 HE3 LYS 91 2HE LYS 91 -17.718 8.540 -2.417 581 HZ1 LYS 91 1HZ LYS 91 -19.402 6.846 -2.165 582 HZ2 LYS 91 2HZ LYS 91 -19.978 8.318 -1.562 583 HZ3 LYS 91 3HZ LYS 91 -19.470 7.109 -0.494 584 H ALA 92 H ALA 92 -12.142 6.252 1.088 585 HA ALA 92 HA ALA 92 -11.124 3.710 0.385 586 HB1 ALA 92 1HB ALA 92 -9.730 5.717 0.410 587 HB2 ALA 92 2HB ALA 92 -9.055 4.465 1.455 588 HB3 ALA 92 3HB ALA 92 -9.917 5.832 2.160 589 H LYS 93 H LYS 93 -12.457 5.057 3.297 590 HA LYS 93 HA LYS 93 -11.513 3.144 5.129 591 HB2 LYS 93 1HB LYS 93 -12.380 5.110 6.070 592 HB3 LYS 93 2HB LYS 93 -13.853 5.023 5.116 593 HG2 LYS 93 1HG LYS 93 -14.629 3.139 6.432 594 HG3 LYS 93 2HG LYS 93 -13.127 3.147 7.357 595 HD2 LYS 93 1HD LYS 93 -13.637 5.245 8.335 596 HD3 LYS 93 2HD LYS 93 -14.969 5.522 7.211 597 HE2 LYS 93 1HE LYS 93 -15.700 4.859 9.493 598 HE3 LYS 93 2HE LYS 93 -16.265 3.778 8.223 599 HZ1 LYS 93 1HZ LYS 93 -15.352 2.723 10.309 600 HZ2 LYS 93 2HZ LYS 93 -13.819 3.207 9.786 601 HZ3 LYS 93 3HZ LYS 93 -14.742 2.139 8.844 602 H LYS 94 H LYS 94 -14.589 3.361 3.358 603 HA LYS 94 HA LYS 94 -15.722 1.014 4.403 604 HB2 LYS 94 1HB LYS 94 -16.800 2.938 3.037 605 HB3 LYS 94 2HB LYS 94 -16.286 2.029 1.625 606 HG2 LYS 94 1HG LYS 94 -17.991 0.819 3.781 607 HG3 LYS 94 2HG LYS 94 -18.670 1.692 2.409 608 HD2 LYS 94 1HD LYS 94 -17.646 0.119 0.869 609 HD3 LYS 94 2HD LYS 94 -16.875 -0.726 2.213 610 HE2 LYS 94 1HE LYS 94 -18.860 -1.922 1.475 611 HE3 LYS 94 2HE LYS 94 -19.081 -1.299 3.110 612 HZ1 LYS 94 1HZ LYS 94 -21.044 -0.945 1.756 613 HZ2 LYS 94 2HZ LYS 94 -20.144 -0.060 0.630 614 HZ3 LYS 94 3HZ LYS 94 -20.357 0.535 2.195 615 H ALA 95 H ALA 95 -13.795 1.599 1.490 616 HA ALA 95 HA ALA 95 -13.834 -1.072 0.556 617 HB1 ALA 95 1HB ALA 95 -11.770 1.072 0.066 618 HB2 ALA 95 2HB ALA 95 -13.242 0.825 -0.872 619 HB3 ALA 95 3HB ALA 95 -11.979 -0.405 -0.874 620 H ALA 96 H ALA 96 -11.718 0.676 2.766 621 HA ALA 96 HA ALA 96 -9.682 -1.261 2.966 622 HB1 ALA 96 1HB ALA 96 -8.997 -0.101 4.982 623 HB2 ALA 96 2HB ALA 96 -10.541 0.747 5.042 624 HB3 ALA 96 3HB ALA 96 -9.416 1.058 3.721 625 H GLU 97 H GLU 97 -12.637 -0.743 4.864 626 HA GLU 97 HA GLU 97 -12.114 -2.825 6.713 627 HB2 GLU 97 1HB GLU 97 -14.750 -1.595 5.895 628 HB3 GLU 97 2HB GLU 97 -14.511 -2.642 7.289 629 HG2 GLU 97 1HG GLU 97 -12.792 -0.926 8.065 630 HG3 GLU 97 2HG GLU 97 -13.484 0.138 6.842 631 H GLU 98 H GLU 98 -13.629 -2.718 3.573 632 HA GLU 98 HA GLU 98 -14.661 -5.375 3.613 633 HB2 GLU 98 1HB GLU 98 -15.466 -3.579 2.095 634 HB3 GLU 98 2HB GLU 98 -13.923 -3.623 1.256 635 HG2 GLU 98 1HG GLU 98 -15.511 -4.835 -0.031 636 HG3 GLU 98 2HG GLU 98 -14.377 -5.984 0.669 637 H ALA 99 H ALA 99 -11.627 -3.890 2.681 638 HA ALA 99 HA ALA 99 -10.557 -6.335 1.561 639 HB1 ALA 99 1HB ALA 99 -8.557 -5.022 1.117 640 HB2 ALA 99 2HB ALA 99 -9.212 -3.684 2.061 641 HB3 ALA 99 3HB ALA 99 -9.999 -4.173 0.560 642 H ARG 100 H ARG 100 -10.819 -4.967 4.626 643 HA ARG 100 HA ARG 100 -8.399 -5.492 5.860 644 HB2 ARG 100 1HB ARG 100 -10.159 -4.220 6.945 645 HB3 ARG 100 2HB ARG 100 -11.188 -5.644 7.012 646 HG2 ARG 100 1HG ARG 100 -9.559 -6.723 8.508 647 HG3 ARG 100 2HG ARG 100 -8.591 -5.250 8.477 648 HD2 ARG 100 1HD ARG 100 -10.415 -4.000 9.478 649 HD3 ARG 100 2HD ARG 100 -11.442 -5.433 9.445 650 HE ARG 100 HE ARG 100 -9.147 -6.105 10.852 651 HH11 ARG 100 1HH1 ARG 100 -11.844 -3.901 11.213 652 HH12 ARG 100 2HH1 ARG 100 -11.782 -3.914 12.945 653 HH21 ARG 100 1HH2 ARG 100 -9.064 -6.130 13.119 654 HH22 ARG 100 2HH2 ARG 100 -10.197 -5.183 14.029 655 H LYS 101 H LYS 101 -11.084 -7.680 5.229 656 HA LYS 101 HA LYS 101 -10.038 -9.818 6.807 657 HB2 LYS 101 1HB LYS 101 -11.810 -11.171 5.743 658 HB3 LYS 101 2HB LYS 101 -12.418 -9.668 6.425 659 HG2 LYS 101 1HG LYS 101 -12.539 -8.666 4.248 660 HG3 LYS 101 2HG LYS 101 -11.777 -10.079 3.516 661 HD2 LYS 101 1HD LYS 101 -13.687 -11.453 4.245 662 HD3 LYS 101 2HD LYS 101 -14.452 -10.007 4.906 663 HE2 LYS 101 1HE LYS 101 -14.645 -9.028 2.746 664 HE3 LYS 101 2HE LYS 101 -13.636 -10.279 2.024 665 HZ1 LYS 101 1HZ LYS 101 -16.317 -10.701 3.220 666 HZ2 LYS 101 2HZ LYS 101 -15.351 -11.897 2.515 667 HZ3 LYS 101 3HZ LYS 101 -15.973 -10.645 1.566 668 H TRP 102 H TRP 102 -9.001 -8.558 3.936 669 HA TRP 102 HA TRP 102 -8.046 -11.148 2.934 670 HB2 TRP 102 1HB TRP 102 -8.130 -8.424 1.618 671 HB3 TRP 102 2HB TRP 102 -7.410 -9.858 0.888 672 HD1 TRP 102 HD1 TRP 102 -10.773 -8.241 1.619 673 HE1 TRP 102 HE1 TRP 102 -12.622 -9.549 0.393 674 HE3 TRP 102 HE3 TRP 102 -8.014 -12.250 0.070 675 HZ2 TRP 102 HZ2 TRP 102 -12.869 -11.975 -1.029 676 HZ3 TRP 102 HZ3 TRP 102 -9.133 -14.024 -1.214 677 HH2 TRP 102 HH2 TRP 102 -11.508 -13.889 -1.751 678 H ASN 103 H ASN 103 -7.100 -9.495 5.267 679 HA ASN 103 HA ASN 103 -5.158 -9.037 6.336 680 HB2 ASN 103 1HB ASN 103 -4.615 -11.334 5.380 681 HB3 ASN 103 2HB ASN 103 -3.734 -10.498 4.108 682 HD21 ASN 103 1HD2 ASN 103 -1.806 -11.452 4.730 683 HD22 ASN 103 2HD2 ASN 103 -0.961 -10.978 6.168 684 H VAL 104 H VAL 104 -6.199 -7.160 4.486 685 HA VAL 104 HA VAL 104 -3.808 -5.899 3.347 686 HB VAL 104 HB VAL 104 -6.717 -5.158 2.958 687 HG11 VAL 104 1HG1 VAL 104 -5.233 -3.263 2.644 688 HG12 VAL 104 2HG1 VAL 104 -5.887 -3.790 1.094 689 HG13 VAL 104 3HG1 VAL 104 -4.232 -4.204 1.539 690 HG21 VAL 104 1HG2 VAL 104 -6.484 -6.139 0.722 691 HG22 VAL 104 2HG2 VAL 104 -6.251 -7.338 1.994 692 HG23 VAL 104 3HG2 VAL 104 -4.859 -6.683 1.137 693 H ARG 105 H ARG 105 -2.956 -4.109 4.226 694 HA ARG 105 HA ARG 105 -4.528 -2.706 6.288 695 HB2 ARG 105 1HB ARG 105 -1.530 -3.098 6.188 696 HB3 ARG 105 2HB ARG 105 -2.383 -2.126 7.377 697 HG2 ARG 105 1HG ARG 105 -2.587 -5.102 6.999 698 HG3 ARG 105 2HG ARG 105 -1.817 -4.250 8.337 699 HD2 ARG 105 1HD ARG 105 -4.747 -4.104 7.647 700 HD3 ARG 105 2HD ARG 105 -4.060 -5.134 8.899 701 HE ARG 105 HE ARG 105 -3.193 -2.743 9.683 702 HH11 ARG 105 1HH1 ARG 105 -6.361 -3.775 8.616 703 HH12 ARG 105 2HH1 ARG 105 -7.209 -2.619 9.595 704 HH21 ARG 105 1HH2 ARG 105 -4.299 -1.227 10.979 705 HH22 ARG 105 2HH2 ARG 105 -6.035 -1.164 10.941 706 H VAL 106 H VAL 106 -4.766 -0.569 6.070 707 HA VAL 106 HA VAL 106 -3.254 0.763 3.920 708 HB VAL 106 HB VAL 106 -5.206 2.033 3.295 709 HG11 VAL 106 1HG1 VAL 106 -5.025 -0.085 2.191 710 HG12 VAL 106 2HG1 VAL 106 -6.726 0.204 2.547 711 HG13 VAL 106 3HG1 VAL 106 -5.794 -0.912 3.542 712 HG21 VAL 106 1HG2 VAL 106 -6.228 2.280 5.505 713 HG22 VAL 106 2HG2 VAL 106 -6.691 0.579 5.484 714 HG23 VAL 106 3HG2 VAL 106 -7.396 1.698 4.318 715 H ARG 107 H ARG 107 -2.366 2.730 4.420 716 HA ARG 107 HA ARG 107 -3.266 4.125 6.796 717 HB2 ARG 107 1HB ARG 107 -0.945 4.178 7.754 718 HB3 ARG 107 2HB ARG 107 -1.764 2.627 7.850 719 HG2 ARG 107 1HG ARG 107 -0.506 1.950 5.785 720 HG3 ARG 107 2HG ARG 107 0.433 3.435 5.966 721 HD2 ARG 107 1HD ARG 107 1.590 1.537 6.970 722 HD3 ARG 107 2HD ARG 107 1.138 2.725 8.192 723 HE ARG 107 HE ARG 107 -0.883 0.769 7.987 724 HH11 ARG 107 1HH1 ARG 107 2.383 1.178 9.161 725 HH12 ARG 107 2HH1 ARG 107 2.246 -0.059 10.366 726 HH21 ARG 107 1HH2 ARG 107 -1.072 -0.865 9.571 727 HH22 ARG 107 2HH2 ARG 107 0.281 -1.230 10.596 728 H THR 108 H THR 108 -2.645 6.242 6.930 729 HA THR 108 HA THR 108 -1.849 7.462 4.443 730 HB THR 108 HB THR 108 -2.568 8.691 7.114 731 HG1 THR 108 HG1 THR 108 -4.371 9.230 5.270 732 HG21 THR 108 1HG2 THR 108 -2.809 10.792 5.889 733 HG22 THR 108 2HG2 THR 108 -2.259 10.002 4.412 734 HG23 THR 108 3HG2 THR 108 -1.158 10.187 5.776 735 H VAL 109 H VAL 109 0.043 8.415 4.000 736 HA VAL 109 HA VAL 109 2.196 8.115 5.981 737 HB VAL 109 HB VAL 109 2.408 8.479 2.984 738 HG11 VAL 109 1HG1 VAL 109 4.515 7.701 4.990 739 HG12 VAL 109 2HG1 VAL 109 4.350 9.294 4.256 740 HG13 VAL 109 3HG1 VAL 109 4.737 7.896 3.252 741 HG21 VAL 109 1HG2 VAL 109 1.389 6.341 3.510 742 HG22 VAL 109 2HG2 VAL 109 2.683 5.984 4.654 743 HG23 VAL 109 3HG2 VAL 109 3.038 6.106 2.932 744 H THR 110 H THR 110 3.125 9.881 6.807 745 HA THR 110 HA THR 110 2.196 12.488 5.976 746 HB THR 110 HB THR 110 3.821 13.167 7.907 747 HG1 THR 110 HG1 THR 110 4.591 11.544 9.098 748 HG21 THR 110 1HG2 THR 110 1.372 13.244 8.047 749 HG22 THR 110 2HG2 THR 110 2.079 12.671 9.557 750 HG23 THR 110 3HG2 THR 110 1.339 11.525 8.439 751 H SER 111 H SER 111 5.095 10.561 5.764 752 HA SER 111 HA SER 111 6.195 12.267 3.747 753 HB2 SER 111 1HB SER 111 6.922 13.458 5.807 754 HB3 SER 111 2HB SER 111 7.698 11.981 6.370 755 HG SER 111 HG SER 111 9.354 12.445 5.171 756 HA PRO 112 HA PRO 112 7.662 8.458 2.060 757 HB2 PRO 112 1HB PRO 112 10.327 9.824 2.055 758 HB3 PRO 112 2HB PRO 112 9.555 8.879 0.780 759 HG2 PRO 112 1HG PRO 112 9.538 11.547 0.713 760 HG3 PRO 112 2HG PRO 112 8.140 10.604 0.173 761 HD2 PRO 112 1HD PRO 112 8.468 12.252 2.599 762 HD3 PRO 112 2HD PRO 112 6.988 11.777 1.748 763 H ASP 113 H ASP 113 9.792 9.944 4.460 764 HA ASP 113 HA ASP 113 11.367 7.842 5.253 765 HB2 ASP 113 1HB ASP 113 10.115 9.839 7.147 766 HB3 ASP 113 2HB ASP 113 11.650 8.999 7.346 767 H GLU 114 H GLU 114 8.081 8.591 6.276 768 HA GLU 114 HA GLU 114 7.883 6.598 8.284 769 HB2 GLU 114 1HB GLU 114 6.423 8.640 8.028 770 HB3 GLU 114 2HB GLU 114 5.634 7.830 6.685 771 HG2 GLU 114 1HG GLU 114 4.212 7.382 8.421 772 HG3 GLU 114 2HG GLU 114 5.223 5.939 8.396 773 H ALA 115 H ALA 115 6.905 6.727 4.877 774 HA ALA 115 HA ALA 115 5.692 4.179 4.774 775 HB1 ALA 115 1HB ALA 115 5.304 5.887 3.070 776 HB2 ALA 115 2HB ALA 115 5.881 4.386 2.347 777 HB3 ALA 115 3HB ALA 115 6.981 5.750 2.544 778 H LYS 116 H LYS 116 8.980 5.300 4.251 779 HA LYS 116 HA LYS 116 10.122 2.924 3.307 780 HB2 LYS 116 1HB LYS 116 11.171 5.225 3.376 781 HB3 LYS 116 2HB LYS 116 11.464 4.966 5.088 782 HG2 LYS 116 1HG LYS 116 12.978 3.189 4.645 783 HG3 LYS 116 2HG LYS 116 12.529 3.153 2.938 784 HD2 LYS 116 1HD LYS 116 13.392 5.492 2.742 785 HD3 LYS 116 2HD LYS 116 13.989 5.353 4.395 786 HE2 LYS 116 1HE LYS 116 14.779 3.527 2.129 787 HE3 LYS 116 2HE LYS 116 15.711 4.928 2.652 788 HZ1 LYS 116 1HZ LYS 116 15.937 3.900 4.834 789 HZ2 LYS 116 2HZ LYS 116 16.572 2.909 3.622 790 HZ3 LYS 116 3HZ LYS 116 15.073 2.547 4.306 791 H ARG 117 H ARG 117 9.490 4.090 6.574 792 HA ARG 117 HA ARG 117 10.711 1.999 8.002 793 HB2 ARG 117 1HB ARG 117 10.075 3.949 9.210 794 HB3 ARG 117 2HB ARG 117 8.410 3.836 8.659 795 HG2 ARG 117 1HG ARG 117 8.515 3.185 10.960 796 HG3 ARG 117 2HG ARG 117 8.158 1.761 9.986 797 HD2 ARG 117 1HD ARG 117 9.772 1.137 11.623 798 HD3 ARG 117 2HD ARG 117 10.584 1.195 10.060 799 HE ARG 117 HE ARG 117 10.930 3.683 11.229 800 HH11 ARG 117 1HH1 ARG 117 11.788 0.364 11.914 801 HH12 ARG 117 2HH1 ARG 117 13.230 0.780 12.786 802 HH21 ARG 117 1HH2 ARG 117 12.821 4.244 12.383 803 HH22 ARG 117 2HH2 ARG 117 13.822 2.990 13.048 804 H TRP 118 H TRP 118 7.403 2.367 6.764 805 HA TRP 118 HA TRP 118 6.423 -0.009 7.936 806 HB2 TRP 118 1HB TRP 118 5.369 1.466 5.519 807 HB3 TRP 118 2HB TRP 118 4.496 0.248 6.442 808 HD1 TRP 118 HD1 TRP 118 3.984 3.582 6.001 809 HE1 TRP 118 HE1 TRP 118 3.340 4.896 8.119 810 HE3 TRP 118 HE3 TRP 118 5.611 0.271 9.561 811 HZ2 TRP 118 HZ2 TRP 118 3.506 4.579 10.913 812 HZ3 TRP 118 HZ3 TRP 118 5.334 0.863 11.925 813 HH2 TRP 118 HH2 TRP 118 4.303 2.971 12.587 814 H ILE 119 H ILE 119 7.781 0.683 4.748 815 HA ILE 119 HA ILE 119 7.377 -1.833 3.594 816 HB ILE 119 HB ILE 119 9.679 0.086 3.174 817 HG12 ILE 119 1HG1 ILE 119 7.143 -0.356 1.579 818 HG13 ILE 119 2HG1 ILE 119 7.430 0.996 2.667 819 HG21 ILE 119 1HG2 ILE 119 8.813 -2.300 1.549 820 HG22 ILE 119 2HG2 ILE 119 10.337 -2.107 2.413 821 HG23 ILE 119 3HG2 ILE 119 9.981 -1.095 1.013 822 HD11 ILE 119 1HD1 ILE 119 7.750 1.639 0.348 823 HD12 ILE 119 2HD1 ILE 119 8.980 0.390 0.160 824 HD13 ILE 119 3HD1 ILE 119 9.264 1.750 1.245 825 H LYS 120 H LYS 120 9.973 -0.630 5.661 826 HA LYS 120 HA LYS 120 11.553 -2.977 5.628 827 HB2 LYS 120 1HB LYS 120 11.333 -0.788 7.699 828 HB3 LYS 120 2HB LYS 120 12.566 -2.037 7.700 829 HG2 LYS 120 1HG LYS 120 13.525 -1.210 5.695 830 HG3 LYS 120 2HG LYS 120 12.169 -0.114 5.429 831 HD2 LYS 120 1HD LYS 120 13.881 1.250 6.267 832 HD3 LYS 120 2HD LYS 120 12.818 0.968 7.642 833 HE2 LYS 120 1HE LYS 120 15.329 -0.612 7.110 834 HE3 LYS 120 2HE LYS 120 15.275 0.818 8.133 835 HZ1 LYS 120 1HZ LYS 120 13.977 -1.801 8.591 836 HZ2 LYS 120 2HZ LYS 120 13.525 -0.416 9.445 837 HZ3 LYS 120 3HZ LYS 120 15.103 -1.004 9.565 838 H GLU 121 H GLU 121 9.065 -1.805 7.872 839 HA GLU 121 HA GLU 121 9.445 -3.882 9.757 840 HB2 GLU 121 1HB GLU 121 8.444 -1.648 10.243 841 HB3 GLU 121 2HB GLU 121 6.995 -2.159 9.387 842 HG2 GLU 121 1HG GLU 121 6.611 -3.910 10.992 843 HG3 GLU 121 2HG GLU 121 8.128 -3.539 11.808 844 H PHE 122 H PHE 122 7.099 -3.448 7.125 845 HA PHE 122 HA PHE 122 5.565 -5.743 7.785 846 HB2 PHE 122 1HB PHE 122 5.736 -3.950 5.398 847 HB3 PHE 122 2HB PHE 122 4.857 -5.471 5.270 848 HD1 PHE 122 HD1 PHE 122 2.611 -5.428 5.701 849 HD2 PHE 122 HD2 PHE 122 5.113 -2.553 7.596 850 HE1 PHE 122 HE1 PHE 122 0.633 -4.391 6.731 851 HE2 PHE 122 HE2 PHE 122 3.138 -1.512 8.628 852 HZ PHE 122 HZ PHE 122 0.896 -2.430 8.198 853 H SER 123 H SER 123 8.420 -5.258 5.830 854 HA SER 123 HA SER 123 8.366 -7.939 4.770 855 HB2 SER 123 1HB SER 123 10.684 -5.997 4.842 856 HB3 SER 123 2HB SER 123 10.498 -7.394 3.780 857 HG SER 123 HG SER 123 9.237 -4.896 3.697 858 H GLU 124 H GLU 124 10.123 -6.143 7.216 859 HA GLU 124 HA GLU 124 11.062 -6.696 9.175 860 HB2 GLU 124 1HB GLU 124 9.089 -8.241 9.387 861 HB3 GLU 124 2HB GLU 124 10.115 -9.526 8.763 862 HG2 GLU 124 1HG GLU 124 11.588 -9.348 10.638 863 HG3 GLU 124 2HG GLU 124 10.738 -7.918 11.224 864 H GLU 125 H GLU 125 11.565 -9.420 6.914 865 HA GLU 125 HA GLU 125 14.435 -8.932 7.190 866 HB2 GLU 125 1HB GLU 125 14.799 -11.435 7.184 867 HB3 GLU 125 2HB GLU 125 14.141 -10.760 8.666 868 HG2 GLU 125 1HG GLU 125 11.887 -11.473 7.930 869 HG3 GLU 125 2HG GLU 125 12.631 -12.251 6.534 Start of MODEL 19 1 HA MET 21 HA MET 21 4.950 -15.332 1.511 2 HB2 MET 21 1HB MET 21 5.200 -14.708 3.893 3 HB3 MET 21 2HB MET 21 5.766 -13.118 3.408 4 HG2 MET 21 1HG MET 21 3.607 -12.651 2.384 5 HG3 MET 21 2HG MET 21 3.040 -14.256 2.835 6 HE1 MET 21 1HE MET 21 4.383 -14.541 5.766 7 HE2 MET 21 2HE MET 21 2.746 -15.057 5.358 8 HE3 MET 21 3HE MET 21 3.022 -14.018 6.756 9 H ARG 22 H ARG 22 3.767 -14.089 0.102 10 HA ARG 22 HA ARG 22 5.256 -12.128 -1.438 11 HB2 ARG 22 1HB ARG 22 2.526 -13.365 -1.817 12 HB3 ARG 22 2HB ARG 22 3.188 -12.136 -2.883 13 HG2 ARG 22 1HG ARG 22 4.457 -14.815 -2.367 14 HG3 ARG 22 2HG ARG 22 3.424 -14.437 -3.745 15 HD2 ARG 22 1HD ARG 22 6.012 -13.044 -3.075 16 HD3 ARG 22 2HD ARG 22 5.821 -14.305 -4.290 17 HE ARG 22 HE ARG 22 4.061 -12.563 -5.187 18 HH11 ARG 22 1HH1 ARG 22 7.258 -11.951 -3.897 19 HH12 ARG 22 2HH1 ARG 22 7.540 -10.567 -4.906 20 HH21 ARG 22 1HH2 ARG 22 4.442 -10.738 -6.530 21 HH22 ARG 22 2HH2 ARG 22 5.941 -9.874 -6.392 22 H LEU 23 H LEU 23 5.389 -10.276 -0.262 23 HA LEU 23 HA LEU 23 2.981 -9.147 0.911 24 HB2 LEU 23 1HB LEU 23 5.849 -8.229 0.901 25 HB3 LEU 23 2HB LEU 23 4.549 -7.286 1.597 26 HG LEU 23 HG LEU 23 5.491 -8.339 3.435 27 HD11 LEU 23 1HD1 LEU 23 3.068 -8.639 3.367 28 HD12 LEU 23 2HD1 LEU 23 3.869 -9.958 4.219 29 HD13 LEU 23 3HD1 LEU 23 3.287 -10.199 2.574 30 HD21 LEU 23 1HD2 LEU 23 5.647 -10.881 1.825 31 HD22 LEU 23 2HD2 LEU 23 6.124 -10.705 3.514 32 HD23 LEU 23 3HD2 LEU 23 6.996 -9.829 2.256 33 H VAL 24 H VAL 24 1.809 -7.569 0.045 34 HA VAL 24 HA VAL 24 2.743 -6.457 -2.518 35 HB VAL 24 HB VAL 24 -0.116 -6.798 -1.598 36 HG11 VAL 24 1HG1 VAL 24 1.023 -6.027 -4.283 37 HG12 VAL 24 2HG1 VAL 24 0.184 -4.955 -3.162 38 HG13 VAL 24 3HG1 VAL 24 -0.686 -6.286 -3.926 39 HG21 VAL 24 1HG2 VAL 24 -0.254 -8.616 -3.238 40 HG22 VAL 24 2HG2 VAL 24 0.921 -8.971 -1.971 41 HG23 VAL 24 3HG2 VAL 24 1.471 -8.449 -3.564 42 H VAL 25 H VAL 25 3.063 -4.338 -2.608 43 HA VAL 25 HA VAL 25 1.856 -2.645 -0.523 44 HB VAL 25 HB VAL 25 4.437 -2.168 -2.029 45 HG11 VAL 25 1HG1 VAL 25 3.182 -0.645 0.248 46 HG12 VAL 25 2HG1 VAL 25 3.238 -0.120 -1.435 47 HG13 VAL 25 3HG1 VAL 25 4.733 -0.291 -0.515 48 HG21 VAL 25 1HG2 VAL 25 3.990 -2.974 0.848 49 HG22 VAL 25 2HG2 VAL 25 5.544 -2.557 0.126 50 HG23 VAL 25 3HG2 VAL 25 4.673 -3.989 -0.423 51 H LEU 26 H LEU 26 0.384 -1.279 -1.254 52 HA LEU 26 HA LEU 26 0.578 -0.403 -4.055 53 HB2 LEU 26 1HB LEU 26 -1.856 -1.071 -2.405 54 HB3 LEU 26 2HB LEU 26 -1.947 -0.179 -3.916 55 HG LEU 26 HG LEU 26 -0.660 -2.898 -3.738 56 HD11 LEU 26 1HD1 LEU 26 -3.513 -2.271 -4.463 57 HD12 LEU 26 2HD1 LEU 26 -2.973 -3.128 -3.018 58 HD13 LEU 26 3HD1 LEU 26 -2.719 -3.841 -4.613 59 HD21 LEU 26 1HD2 LEU 26 -1.858 -1.432 -6.073 60 HD22 LEU 26 2HD2 LEU 26 -0.902 -2.915 -6.106 61 HD23 LEU 26 3HD2 LEU 26 -0.150 -1.387 -5.645 62 H ILE 27 H ILE 27 1.184 1.608 -4.161 63 HA ILE 27 HA ILE 27 0.658 3.351 -1.845 64 HB ILE 27 HB ILE 27 2.998 3.000 -2.085 65 HG12 ILE 27 1HG1 ILE 27 2.433 5.671 -3.385 66 HG13 ILE 27 2HG1 ILE 27 2.237 5.352 -1.663 67 HG21 ILE 27 1HG2 ILE 27 4.235 3.434 -4.150 68 HG22 ILE 27 2HG2 ILE 27 2.718 3.771 -4.985 69 HG23 ILE 27 3HG2 ILE 27 3.040 2.153 -4.359 70 HD11 ILE 27 1HD1 ILE 27 4.619 4.840 -1.497 71 HD12 ILE 27 2HD1 ILE 27 4.339 6.467 -2.120 72 HD13 ILE 27 3HD1 ILE 27 4.805 5.170 -3.220 73 H VAL 28 H VAL 28 -0.540 5.117 -2.106 74 HA VAL 28 HA VAL 28 -1.232 5.950 -4.849 75 HB VAL 28 HB VAL 28 -2.754 6.461 -2.283 76 HG11 VAL 28 1HG1 VAL 28 -3.516 6.967 -5.156 77 HG12 VAL 28 2HG1 VAL 28 -3.114 8.193 -3.952 78 HG13 VAL 28 3HG1 VAL 28 -4.562 7.205 -3.756 79 HG21 VAL 28 1HG2 VAL 28 -2.780 4.093 -2.885 80 HG22 VAL 28 2HG2 VAL 28 -3.355 4.509 -4.499 81 HG23 VAL 28 3HG2 VAL 28 -4.369 4.828 -3.093 82 H SER 29 H SER 29 0.425 7.392 -5.210 83 HA SER 29 HA SER 29 -0.054 10.041 -4.383 84 HB2 SER 29 1HB SER 29 1.198 9.021 -2.357 85 HB3 SER 29 2HB SER 29 2.614 9.019 -3.406 86 HG SER 29 HG SER 29 2.707 11.161 -3.334 87 H ASN 30 H ASN 30 0.877 11.430 -5.909 88 HA ASN 30 HA ASN 30 2.688 10.109 -7.815 89 HB2 ASN 30 1HB ASN 30 0.556 11.115 -8.688 90 HB3 ASN 30 2HB ASN 30 1.161 12.693 -8.199 91 HD21 ASN 30 1HD2 ASN 30 1.520 10.044 -10.416 92 HD22 ASN 30 2HD2 ASN 30 2.517 10.874 -11.558 93 H ASP 31 H ASP 31 4.445 10.344 -6.393 94 HA ASP 31 HA ASP 31 5.668 13.017 -6.524 95 HB2 ASP 31 1HB ASP 31 5.863 10.973 -4.310 96 HB3 ASP 31 2HB ASP 31 7.006 12.298 -4.483 97 H LYS 32 H LYS 32 8.105 12.886 -6.543 98 HA LYS 32 HA LYS 32 8.922 10.636 -8.197 99 HB2 LYS 32 1HB LYS 32 10.474 13.116 -7.435 100 HB3 LYS 32 2HB LYS 32 10.994 11.896 -8.585 101 HG2 LYS 32 1HG LYS 32 8.639 13.752 -8.860 102 HG3 LYS 32 2HG LYS 32 10.147 13.807 -9.770 103 HD2 LYS 32 1HD LYS 32 8.117 11.574 -9.844 104 HD3 LYS 32 2HD LYS 32 8.331 12.812 -11.078 105 HE2 LYS 32 1HE LYS 32 10.433 10.814 -10.250 106 HE3 LYS 32 2HE LYS 32 9.391 10.657 -11.661 107 HZ1 LYS 32 1HZ LYS 32 10.356 12.634 -12.589 108 HZ2 LYS 32 2HZ LYS 32 11.592 11.551 -12.197 109 HZ3 LYS 32 3HZ LYS 32 11.294 12.887 -11.207 110 H LYS 33 H LYS 33 10.469 12.360 -5.477 111 HA LYS 33 HA LYS 33 12.300 10.259 -5.018 112 HB2 LYS 33 1HB LYS 33 13.090 11.522 -3.146 113 HB3 LYS 33 2HB LYS 33 12.721 12.640 -4.446 114 HG2 LYS 33 1HG LYS 33 10.607 13.215 -3.339 115 HG3 LYS 33 2HG LYS 33 11.007 12.105 -2.025 116 HD2 LYS 33 1HD LYS 33 13.116 13.438 -1.685 117 HD3 LYS 33 2HD LYS 33 12.471 14.617 -2.825 118 HE2 LYS 33 1HE LYS 33 11.151 13.768 -0.248 119 HE3 LYS 33 2HE LYS 33 12.074 15.250 -0.478 120 HZ1 LYS 33 1HZ LYS 33 10.448 15.971 -2.110 121 HZ2 LYS 33 2HZ LYS 33 9.695 15.640 -0.635 122 HZ3 LYS 33 3HZ LYS 33 9.570 14.540 -1.909 123 H LEU 34 H LEU 34 9.104 10.770 -3.864 124 HA LEU 34 HA LEU 34 9.406 9.086 -1.550 125 HB2 LEU 34 1HB LEU 34 7.741 11.016 -1.879 126 HB3 LEU 34 2HB LEU 34 6.813 9.898 -2.847 127 HG LEU 34 HG LEU 34 6.153 10.248 -0.383 128 HD11 LEU 34 1HD1 LEU 34 5.182 8.519 -1.793 129 HD12 LEU 34 2HD1 LEU 34 5.442 7.926 -0.153 130 HD13 LEU 34 3HD1 LEU 34 6.547 7.457 -1.445 131 HD21 LEU 34 1HD2 LEU 34 7.281 8.848 1.231 132 HD22 LEU 34 2HD2 LEU 34 8.419 9.999 0.530 133 HD23 LEU 34 3HD2 LEU 34 8.429 8.315 0.005 134 H ILE 35 H ILE 35 8.425 8.755 -4.880 135 HA ILE 35 HA ILE 35 7.359 6.091 -4.462 136 HB ILE 35 HB ILE 35 7.442 7.966 -6.794 137 HG12 ILE 35 1HG1 ILE 35 5.019 7.377 -6.868 138 HG13 ILE 35 2HG1 ILE 35 5.261 6.336 -5.472 139 HG21 ILE 35 1HG2 ILE 35 6.844 5.020 -7.017 140 HG22 ILE 35 2HG2 ILE 35 8.224 5.858 -7.731 141 HG23 ILE 35 3HG2 ILE 35 6.588 6.223 -8.282 142 HD11 ILE 35 1HD1 ILE 35 5.705 9.307 -5.528 143 HD12 ILE 35 2HD1 ILE 35 5.867 8.249 -4.125 144 HD13 ILE 35 3HD1 ILE 35 4.288 8.487 -4.874 145 H GLU 36 H GLU 36 10.067 7.606 -6.206 146 HA GLU 36 HA GLU 36 11.093 5.292 -7.395 147 HB2 GLU 36 1HB GLU 36 12.565 7.764 -6.476 148 HB3 GLU 36 2HB GLU 36 13.223 6.545 -7.557 149 HG2 GLU 36 1HG GLU 36 11.475 7.052 -9.189 150 HG3 GLU 36 2HG GLU 36 10.832 8.288 -8.107 151 H GLU 37 H GLU 37 12.029 6.825 -4.323 152 HA GLU 37 HA GLU 37 13.991 4.867 -3.733 153 HB2 GLU 37 1HB GLU 37 12.671 7.064 -2.195 154 HB3 GLU 37 2HB GLU 37 13.635 5.873 -1.332 155 HG2 GLU 37 1HG GLU 37 14.857 7.949 -1.967 156 HG3 GLU 37 2HG GLU 37 15.593 6.455 -2.538 157 H ALA 38 H ALA 38 10.576 5.192 -2.855 158 HA ALA 38 HA ALA 38 10.480 2.985 -1.096 159 HB1 ALA 38 1HB ALA 38 8.068 3.005 -1.478 160 HB2 ALA 38 2HB ALA 38 8.285 4.080 -2.858 161 HB3 ALA 38 3HB ALA 38 8.678 4.641 -1.233 162 H ARG 39 H ARG 39 9.946 3.299 -4.567 163 HA ARG 39 HA ARG 39 9.312 0.683 -5.236 164 HB2 ARG 39 1HB ARG 39 9.138 2.447 -6.852 165 HB3 ARG 39 2HB ARG 39 10.852 2.809 -6.728 166 HG2 ARG 39 1HG ARG 39 11.372 0.646 -7.751 167 HG3 ARG 39 2HG ARG 39 9.645 0.312 -7.894 168 HD2 ARG 39 1HD ARG 39 9.359 2.209 -9.353 169 HD3 ARG 39 2HD ARG 39 11.046 2.665 -9.145 170 HE ARG 39 HE ARG 39 11.154 0.122 -10.114 171 HH11 ARG 39 1HH1 ARG 39 9.631 3.081 -11.190 172 HH12 ARG 39 2HH1 ARG 39 9.791 2.704 -12.875 173 HH21 ARG 39 1HH2 ARG 39 11.380 -0.375 -12.328 174 HH22 ARG 39 2HH2 ARG 39 10.781 0.731 -13.522 175 H LYS 40 H LYS 40 12.501 2.215 -5.023 176 HA LYS 40 HA LYS 40 14.053 -0.009 -5.721 177 HB2 LYS 40 1HB LYS 40 14.731 2.307 -3.899 178 HB3 LYS 40 2HB LYS 40 15.901 1.178 -4.560 179 HG2 LYS 40 1HG LYS 40 15.252 1.910 -6.836 180 HG3 LYS 40 2HG LYS 40 14.195 3.123 -6.104 181 HD2 LYS 40 1HD LYS 40 16.165 4.070 -4.939 182 HD3 LYS 40 2HD LYS 40 17.191 2.908 -5.780 183 HE2 LYS 40 1HE LYS 40 17.286 5.015 -6.932 184 HE3 LYS 40 2HE LYS 40 16.418 3.851 -7.932 185 HZ1 LYS 40 1HZ LYS 40 14.333 4.818 -7.164 186 HZ2 LYS 40 2HZ LYS 40 15.303 5.977 -7.924 187 HZ3 LYS 40 3HZ LYS 40 15.182 5.955 -6.232 188 H MET 41 H MET 41 13.182 1.223 -2.497 189 HA MET 41 HA MET 41 14.498 -0.762 -1.018 190 HB2 MET 41 1HB MET 41 12.089 0.921 -0.328 191 HB3 MET 41 2HB MET 41 12.921 -0.108 0.826 192 HG2 MET 41 1HG MET 41 14.177 2.183 -0.665 193 HG3 MET 41 2HG MET 41 13.568 2.257 0.987 194 HE1 MET 41 1HE MET 41 14.435 -0.586 2.156 195 HE2 MET 41 2HE MET 41 14.621 0.940 3.018 196 HE3 MET 41 3HE MET 41 15.988 -0.165 2.876 197 H ALA 42 H ALA 42 11.300 -0.684 -2.453 198 HA ALA 42 HA ALA 42 10.263 -2.919 -1.050 199 HB1 ALA 42 1HB ALA 42 9.366 -1.747 -3.674 200 HB2 ALA 42 2HB ALA 42 8.828 -1.233 -2.076 201 HB3 ALA 42 3HB ALA 42 8.443 -2.853 -2.656 202 H GLU 43 H GLU 43 11.653 -2.588 -4.331 203 HA GLU 43 HA GLU 43 11.175 -5.314 -4.977 204 HB2 GLU 43 1HB GLU 43 12.685 -4.940 -6.898 205 HB3 GLU 43 2HB GLU 43 11.425 -3.725 -6.768 206 HG2 GLU 43 1HG GLU 43 12.963 -2.111 -5.933 207 HG3 GLU 43 2HG GLU 43 14.232 -3.326 -5.775 208 H LYS 44 H LYS 44 13.845 -3.629 -3.470 209 HA LYS 44 HA LYS 44 15.628 -5.872 -3.598 210 HB2 LYS 44 1HB LYS 44 15.709 -3.384 -1.881 211 HB3 LYS 44 2HB LYS 44 17.010 -4.560 -2.013 212 HG2 LYS 44 1HG LYS 44 17.249 -4.063 -4.378 213 HG3 LYS 44 2HG LYS 44 15.910 -2.921 -4.286 214 HD2 LYS 44 1HD LYS 44 17.969 -1.690 -4.222 215 HD3 LYS 44 2HD LYS 44 17.220 -1.612 -2.626 216 HE2 LYS 44 1HE LYS 44 18.704 -3.387 -1.842 217 HE3 LYS 44 2HE LYS 44 19.444 -3.477 -3.438 218 HZ1 LYS 44 1HZ LYS 44 20.794 -2.176 -1.944 219 HZ2 LYS 44 2HZ LYS 44 19.506 -1.131 -1.620 220 HZ3 LYS 44 3HZ LYS 44 20.182 -1.182 -3.166 221 H ALA 45 H ALA 45 13.020 -4.950 -1.584 222 HA ALA 45 HA ALA 45 13.830 -6.792 0.539 223 HB1 ALA 45 1HB ALA 45 11.452 -4.940 0.410 224 HB2 ALA 45 2HB ALA 45 12.984 -4.589 1.208 225 HB3 ALA 45 3HB ALA 45 11.957 -5.894 1.805 226 H ASN 46 H ASN 46 12.627 -7.224 -2.331 227 HA ASN 46 HA ASN 46 11.422 -8.826 -3.377 228 HB2 ASN 46 1HB ASN 46 11.625 -10.132 -0.663 229 HB3 ASN 46 2HB ASN 46 10.926 -10.928 -2.069 230 HD21 ASN 46 1HD2 ASN 46 13.841 -9.752 -0.593 231 HD22 ASN 46 2HD2 ASN 46 14.940 -10.536 -1.673 232 H LEU 47 H LEU 47 9.992 -6.640 -2.560 233 HA LEU 47 HA LEU 47 7.405 -7.772 -1.714 234 HB2 LEU 47 1HB LEU 47 8.165 -4.855 -1.825 235 HB3 LEU 47 2HB LEU 47 6.757 -5.558 -1.056 236 HG LEU 47 HG LEU 47 9.615 -5.889 -0.137 237 HD11 LEU 47 1HD1 LEU 47 8.940 -4.516 1.751 238 HD12 LEU 47 2HD1 LEU 47 7.327 -4.335 1.061 239 HD13 LEU 47 3HD1 LEU 47 8.724 -3.642 0.235 240 HD21 LEU 47 1HD2 LEU 47 7.075 -6.789 1.205 241 HD22 LEU 47 2HD2 LEU 47 8.728 -7.041 1.764 242 HD23 LEU 47 3HD2 LEU 47 8.158 -7.851 0.305 243 H GLU 48 H GLU 48 5.510 -7.126 -2.889 244 HA GLU 48 HA GLU 48 6.053 -6.365 -5.673 245 HB2 GLU 48 1HB GLU 48 4.717 -8.393 -5.355 246 HB3 GLU 48 2HB GLU 48 3.567 -7.503 -4.371 247 HG2 GLU 48 1HG GLU 48 2.737 -7.897 -6.633 248 HG3 GLU 48 2HG GLU 48 2.896 -6.174 -6.282 249 H LEU 49 H LEU 49 6.192 -4.172 -5.729 250 HA LEU 49 HA LEU 49 4.077 -2.663 -4.351 251 HB2 LEU 49 1HB LEU 49 6.392 -2.275 -3.538 252 HB3 LEU 49 2HB LEU 49 6.833 -1.705 -5.134 253 HG LEU 49 HG LEU 49 4.576 -0.343 -3.731 254 HD11 LEU 49 1HD1 LEU 49 7.489 0.146 -3.126 255 HD12 LEU 49 2HD1 LEU 49 6.305 -0.545 -2.015 256 HD13 LEU 49 3HD1 LEU 49 6.132 1.123 -2.566 257 HD21 LEU 49 1HD2 LEU 49 5.493 1.603 -4.889 258 HD22 LEU 49 2HD2 LEU 49 5.162 0.287 -6.015 259 HD23 LEU 49 3HD2 LEU 49 6.819 0.617 -5.506 260 H ILE 50 H ILE 50 2.711 -1.544 -5.507 261 HA ILE 50 HA ILE 50 3.382 -0.898 -8.307 262 HB ILE 50 HB ILE 50 0.736 -1.786 -7.159 263 HG12 ILE 50 1HG1 ILE 50 2.375 -2.944 -9.410 264 HG13 ILE 50 2HG1 ILE 50 2.387 -3.552 -7.759 265 HG21 ILE 50 1HG2 ILE 50 0.367 0.078 -8.674 266 HG22 ILE 50 2HG2 ILE 50 -0.229 -1.433 -9.365 267 HG23 ILE 50 3HG2 ILE 50 1.296 -0.749 -9.925 268 HD11 ILE 50 1HD1 ILE 50 0.013 -4.086 -7.942 269 HD12 ILE 50 2HD1 ILE 50 0.961 -4.898 -9.187 270 HD13 ILE 50 3HD1 ILE 50 0.005 -3.474 -9.595 271 H THR 51 H THR 51 3.151 1.196 -8.869 272 HA THR 51 HA THR 51 2.250 3.085 -6.881 273 HB THR 51 HB THR 51 2.817 4.797 -8.646 274 HG1 THR 51 HG1 THR 51 2.709 2.766 -10.260 275 HG21 THR 51 1HG2 THR 51 5.246 4.451 -8.462 276 HG22 THR 51 2HG2 THR 51 4.958 2.807 -7.893 277 HG23 THR 51 3HG2 THR 51 4.421 4.182 -6.926 278 H VAL 52 H VAL 52 0.184 3.447 -6.612 279 HA VAL 52 HA VAL 52 -1.727 2.806 -8.697 280 HB VAL 52 HB VAL 52 -2.039 3.606 -5.800 281 HG11 VAL 52 1HG1 VAL 52 -3.940 4.439 -7.165 282 HG12 VAL 52 2HG1 VAL 52 -4.406 3.203 -5.987 283 HG13 VAL 52 3HG1 VAL 52 -4.237 2.776 -7.689 284 HG21 VAL 52 1HG2 VAL 52 -2.511 0.997 -7.233 285 HG22 VAL 52 2HG2 VAL 52 -2.820 1.300 -5.523 286 HG23 VAL 52 3HG2 VAL 52 -1.172 1.365 -6.146 287 HA PRO 53 HA PRO 53 -2.680 7.018 -10.034 288 HB2 PRO 53 1HB PRO 53 -5.453 6.525 -10.070 289 HB3 PRO 53 2HB PRO 53 -4.346 6.398 -11.439 290 HG2 PRO 53 1HG PRO 53 -5.392 4.271 -9.639 291 HG3 PRO 53 2HG PRO 53 -5.022 4.198 -11.373 292 HD2 PRO 53 1HD PRO 53 -3.397 3.085 -9.578 293 HD3 PRO 53 2HD PRO 53 -2.736 3.933 -10.993 294 H GLY 54 H GLY 54 -4.069 8.766 -9.245 295 HA2 GLY 54 1HA GLY 54 -3.446 9.053 -6.505 296 HA3 GLY 54 2HA GLY 54 -4.210 10.256 -7.519 297 H SER 55 H SER 55 -5.988 7.342 -7.437 298 HA SER 55 HA SER 55 -7.769 8.519 -5.420 299 HB2 SER 55 1HB SER 55 -8.379 6.371 -7.449 300 HB3 SER 55 2HB SER 55 -9.522 7.110 -6.326 301 HG SER 55 HG SER 55 -9.189 9.093 -7.395 302 HA PRO 56 HA PRO 56 -6.364 5.518 -2.598 303 HB2 PRO 56 1HB PRO 56 -8.247 5.781 -0.704 304 HB3 PRO 56 2HB PRO 56 -7.087 7.061 -1.067 305 HG2 PRO 56 1HG PRO 56 -9.916 6.785 -2.003 306 HG3 PRO 56 2HG PRO 56 -9.103 8.201 -1.308 307 HD2 PRO 56 1HD PRO 56 -9.420 7.880 -3.974 308 HD3 PRO 56 2HD PRO 56 -8.003 8.694 -3.280 309 H GLU 57 H GLU 57 -9.765 5.332 -3.568 310 HA GLU 57 HA GLU 57 -10.201 2.717 -2.563 311 HB2 GLU 57 1HB GLU 57 -12.226 2.780 -4.062 312 HB3 GLU 57 2HB GLU 57 -12.106 4.099 -2.904 313 HG2 GLU 57 1HG GLU 57 -11.361 5.606 -4.609 314 HG3 GLU 57 2HG GLU 57 -11.265 4.297 -5.785 315 H GLU 58 H GLU 58 -8.801 3.954 -5.462 316 HA GLU 58 HA GLU 58 -9.101 1.751 -7.163 317 HB2 GLU 58 1HB GLU 58 -6.921 3.829 -6.974 318 HB3 GLU 58 2HB GLU 58 -7.011 2.636 -8.262 319 HG2 GLU 58 1HG GLU 58 -9.203 4.595 -7.644 320 HG3 GLU 58 2HG GLU 58 -7.931 4.880 -8.834 321 H ALA 59 H ALA 59 -6.626 2.538 -4.768 322 HA ALA 59 HA ALA 59 -4.974 0.302 -5.270 323 HB1 ALA 59 1HB ALA 59 -3.944 0.819 -3.119 324 HB2 ALA 59 2HB ALA 59 -5.270 1.918 -2.743 325 HB3 ALA 59 3HB ALA 59 -4.180 2.277 -4.081 326 H ILE 60 H ILE 60 -7.739 0.815 -3.159 327 HA ILE 60 HA ILE 60 -7.477 -1.556 -1.642 328 HB ILE 60 HB ILE 60 -10.083 -0.177 -2.294 329 HG12 ILE 60 1HG1 ILE 60 -8.487 1.495 -1.476 330 HG13 ILE 60 2HG1 ILE 60 -9.723 1.173 -0.265 331 HG21 ILE 60 1HG2 ILE 60 -10.715 -1.043 -0.051 332 HG22 ILE 60 2HG2 ILE 60 -9.182 -1.908 0.002 333 HG23 ILE 60 3HG2 ILE 60 -10.377 -2.306 -1.231 334 HD11 ILE 60 1HD1 ILE 60 -7.548 1.377 0.759 335 HD12 ILE 60 2HD1 ILE 60 -6.918 0.095 -0.273 336 HD13 ILE 60 3HD1 ILE 60 -8.152 -0.271 0.932 337 H ARG 61 H ARG 61 -9.407 -0.780 -4.518 338 HA ARG 61 HA ARG 61 -10.391 -3.462 -4.739 339 HB2 ARG 61 1HB ARG 61 -10.600 -1.042 -6.523 340 HB3 ARG 61 2HB ARG 61 -11.304 -2.599 -6.948 341 HG2 ARG 61 1HG ARG 61 -12.687 -2.558 -4.968 342 HG3 ARG 61 2HG ARG 61 -11.932 -1.058 -4.435 343 HD2 ARG 61 1HD ARG 61 -12.865 0.130 -6.308 344 HD3 ARG 61 2HD ARG 61 -13.496 -1.367 -6.993 345 HE ARG 61 HE ARG 61 -14.903 -1.491 -4.919 346 HH11 ARG 61 1HH1 ARG 61 -13.780 1.589 -6.150 347 HH12 ARG 61 2HH1 ARG 61 -15.092 2.487 -5.458 348 HH21 ARG 61 1HH2 ARG 61 -16.627 -0.308 -4.003 349 HH22 ARG 61 2HH2 ARG 61 -16.718 1.408 -4.252 350 H LEU 62 H LEU 62 -7.561 -1.850 -5.740 351 HA LEU 62 HA LEU 62 -6.837 -3.720 -7.795 352 HB2 LEU 62 1HB LEU 62 -5.913 -1.285 -7.153 353 HB3 LEU 62 2HB LEU 62 -4.774 -2.241 -6.230 354 HG LEU 62 HG LEU 62 -3.868 -1.595 -8.408 355 HD11 LEU 62 1HD1 LEU 62 -3.090 -3.673 -7.417 356 HD12 LEU 62 2HD1 LEU 62 -3.139 -3.789 -9.175 357 HD13 LEU 62 3HD1 LEU 62 -4.399 -4.552 -8.207 358 HD21 LEU 62 1HD2 LEU 62 -6.105 -3.240 -9.578 359 HD22 LEU 62 2HD2 LEU 62 -4.786 -2.486 -10.471 360 HD23 LEU 62 3HD2 LEU 62 -5.975 -1.483 -9.642 361 H ALA 63 H ALA 63 -6.153 -3.270 -4.354 362 HA ALA 63 HA ALA 63 -4.530 -5.503 -3.922 363 HB1 ALA 63 1HB ALA 63 -5.166 -5.314 -1.581 364 HB2 ALA 63 2HB ALA 63 -6.529 -4.283 -2.018 365 HB3 ALA 63 3HB ALA 63 -4.879 -3.714 -2.269 366 H GLN 64 H GLN 64 -8.029 -5.154 -3.952 367 HA GLN 64 HA GLN 64 -8.793 -7.714 -3.164 368 HB2 GLN 64 1HB GLN 64 -10.383 -5.882 -3.441 369 HB3 GLN 64 2HB GLN 64 -10.081 -5.854 -5.173 370 HG2 GLN 64 1HG GLN 64 -12.166 -6.951 -4.752 371 HG3 GLN 64 2HG GLN 64 -11.000 -8.134 -5.340 372 HE21 GLN 64 1HE2 GLN 64 -11.038 -6.856 -2.087 373 HE22 GLN 64 2HE2 GLN 64 -11.497 -8.328 -1.313 374 H GLU 65 H GLU 65 -7.691 -6.507 -6.262 375 HA GLU 65 HA GLU 65 -8.396 -8.835 -7.755 376 HB2 GLU 65 1HB GLU 65 -8.094 -6.460 -8.633 377 HB3 GLU 65 2HB GLU 65 -6.363 -6.741 -8.519 378 HG2 GLU 65 1HG GLU 65 -7.135 -7.102 -10.778 379 HG3 GLU 65 2HG GLU 65 -6.570 -8.617 -10.074 380 H ILE 66 H ILE 66 -5.542 -7.724 -6.040 381 HA ILE 66 HA ILE 66 -3.891 -9.827 -7.146 382 HB ILE 66 HB ILE 66 -3.263 -7.828 -4.971 383 HG12 ILE 66 1HG1 ILE 66 -2.529 -7.857 -7.909 384 HG13 ILE 66 2HG1 ILE 66 -3.722 -6.792 -7.164 385 HG21 ILE 66 1HG2 ILE 66 -0.919 -8.441 -5.387 386 HG22 ILE 66 2HG2 ILE 66 -1.454 -9.691 -6.511 387 HG23 ILE 66 3HG2 ILE 66 -1.863 -9.810 -4.799 388 HD11 ILE 66 1HD1 ILE 66 -1.966 -5.759 -5.830 389 HD12 ILE 66 2HD1 ILE 66 -1.618 -5.644 -7.556 390 HD13 ILE 66 3HD1 ILE 66 -0.773 -6.833 -6.562 391 H ALA 67 H ALA 67 -5.173 -9.002 -3.919 392 HA ALA 67 HA ALA 67 -3.808 -11.042 -2.552 393 HB1 ALA 67 1HB ALA 67 -6.354 -9.668 -1.722 394 HB2 ALA 67 2HB ALA 67 -4.727 -9.033 -1.481 395 HB3 ALA 67 3HB ALA 67 -5.223 -10.519 -0.671 396 H GLU 68 H GLU 68 -7.164 -10.968 -3.760 397 HA GLU 68 HA GLU 68 -7.843 -13.497 -2.665 398 HB2 GLU 68 1HB GLU 68 -9.548 -11.845 -3.234 399 HB3 GLU 68 2HB GLU 68 -9.110 -11.946 -4.931 400 HG2 GLU 68 1HG GLU 68 -11.150 -13.172 -4.483 401 HG3 GLU 68 2HG GLU 68 -9.867 -14.259 -5.002 402 H LYS 69 H LYS 69 -6.468 -12.480 -5.723 403 HA LYS 69 HA LYS 69 -6.790 -15.107 -6.900 404 HB2 LYS 69 1HB LYS 69 -5.462 -12.596 -7.927 405 HB3 LYS 69 2HB LYS 69 -5.633 -14.080 -8.854 406 HG2 LYS 69 1HG LYS 69 -7.951 -12.525 -7.731 407 HG3 LYS 69 2HG LYS 69 -7.325 -12.328 -9.366 408 HD2 LYS 69 1HD LYS 69 -8.308 -14.949 -8.248 409 HD3 LYS 69 2HD LYS 69 -9.312 -13.838 -9.179 410 HE2 LYS 69 1HE LYS 69 -6.779 -15.170 -10.136 411 HE3 LYS 69 2HE LYS 69 -8.422 -15.618 -10.590 412 HZ1 LYS 69 1HZ LYS 69 -7.454 -14.271 -12.303 413 HZ2 LYS 69 2HZ LYS 69 -7.061 -13.052 -11.203 414 HZ3 LYS 69 3HZ LYS 69 -8.681 -13.382 -11.551 415 H ALA 70 H ALA 70 -4.745 -13.974 -4.663 416 HA ALA 70 HA ALA 70 -2.331 -15.213 -5.743 417 HB1 ALA 70 1HB ALA 70 -1.210 -14.324 -3.772 418 HB2 ALA 70 2HB ALA 70 -2.755 -13.754 -3.141 419 HB3 ALA 70 3HB ALA 70 -2.095 -13.054 -4.621 420 HA PRO 71 HA PRO 71 -3.376 -18.840 -3.306 421 HB2 PRO 71 1HB PRO 71 -1.646 -20.518 -4.503 422 HB3 PRO 71 2HB PRO 71 -3.164 -20.039 -5.267 423 HG2 PRO 71 1HG PRO 71 -0.391 -19.111 -5.817 424 HG3 PRO 71 2HG PRO 71 -1.743 -19.346 -6.938 425 HD2 PRO 71 1HD PRO 71 -0.908 -16.902 -5.880 426 HD3 PRO 71 2HD PRO 71 -2.477 -17.218 -6.645 427 H GLY 72 H GLY 72 -2.610 -18.483 -1.292 428 HA2 GLY 72 1HA GLY 72 -0.754 -19.600 0.048 429 HA3 GLY 72 2HA GLY 72 0.308 -18.562 -0.894 430 HA PRO 73 HA PRO 73 -0.999 -16.314 2.997 431 HB2 PRO 73 1HB PRO 73 1.861 -16.072 3.527 432 HB3 PRO 73 2HB PRO 73 0.595 -16.745 4.555 433 HG2 PRO 73 1HG PRO 73 2.508 -18.276 3.403 434 HG3 PRO 73 2HG PRO 73 0.869 -18.870 3.728 435 HD2 PRO 73 1HD PRO 73 2.061 -17.905 1.153 436 HD3 PRO 73 2HD PRO 73 0.984 -19.288 1.450 437 H VAL 74 H VAL 74 -1.497 -14.297 2.439 438 HA VAL 74 HA VAL 74 0.601 -12.507 1.484 439 HB VAL 74 HB VAL 74 -1.053 -11.532 -0.199 440 HG11 VAL 74 1HG1 VAL 74 0.129 -14.253 -0.715 441 HG12 VAL 74 2HG1 VAL 74 0.938 -12.697 -0.904 442 HG13 VAL 74 3HG1 VAL 74 -0.410 -13.122 -1.957 443 HG21 VAL 74 1HG2 VAL 74 -3.049 -12.693 0.550 444 HG22 VAL 74 2HG2 VAL 74 -2.317 -14.247 0.151 445 HG23 VAL 74 3HG2 VAL 74 -2.698 -13.097 -1.131 446 H LYS 75 H LYS 75 0.358 -10.434 2.090 447 HA LYS 75 HA LYS 75 -2.245 -9.483 2.949 448 HB2 LYS 75 1HB LYS 75 -1.250 -8.342 4.935 449 HB3 LYS 75 2HB LYS 75 -1.309 -10.091 5.069 450 HG2 LYS 75 1HG LYS 75 1.049 -10.257 4.631 451 HG3 LYS 75 2HG LYS 75 1.144 -8.523 4.306 452 HD2 LYS 75 1HD LYS 75 0.519 -8.032 6.600 453 HD3 LYS 75 2HD LYS 75 0.322 -9.751 6.937 454 HE2 LYS 75 1HE LYS 75 2.920 -8.505 6.056 455 HE3 LYS 75 2HE LYS 75 2.471 -8.733 7.743 456 HZ1 LYS 75 1HZ LYS 75 2.226 -11.140 7.215 457 HZ2 LYS 75 2HZ LYS 75 3.808 -10.554 7.128 458 HZ3 LYS 75 3HZ LYS 75 2.927 -10.835 5.706 459 H VAL 76 H VAL 76 -2.552 -7.311 2.544 460 HA VAL 76 HA VAL 76 -0.474 -6.164 0.805 461 HB VAL 76 HB VAL 76 -3.435 -5.578 0.712 462 HG11 VAL 76 1HG1 VAL 76 -1.214 -4.967 -1.229 463 HG12 VAL 76 2HG1 VAL 76 -2.067 -3.808 -0.210 464 HG13 VAL 76 3HG1 VAL 76 -2.926 -4.647 -1.501 465 HG21 VAL 76 1HG2 VAL 76 -3.495 -7.001 -1.304 466 HG22 VAL 76 2HG2 VAL 76 -3.121 -7.907 0.160 467 HG23 VAL 76 3HG2 VAL 76 -1.837 -7.499 -0.975 468 H LEU 77 H LEU 77 0.201 -4.100 1.136 469 HA LEU 77 HA LEU 77 -1.077 -2.600 3.332 470 HB2 LEU 77 1HB LEU 77 1.546 -3.361 3.138 471 HB3 LEU 77 2HB LEU 77 1.599 -1.760 2.427 472 HG LEU 77 HG LEU 77 0.738 -2.493 5.224 473 HD11 LEU 77 1HD1 LEU 77 2.585 -0.997 5.848 474 HD12 LEU 77 2HD1 LEU 77 2.984 -0.805 4.143 475 HD13 LEU 77 3HD1 LEU 77 3.127 -2.386 4.909 476 HD21 LEU 77 1HD2 LEU 77 0.618 0.203 3.882 477 HD22 LEU 77 2HD2 LEU 77 0.354 -0.106 5.597 478 HD23 LEU 77 3HD2 LEU 77 -0.761 -0.763 4.400 479 H VAL 78 H VAL 78 -2.206 -0.887 2.687 480 HA VAL 78 HA VAL 78 -1.589 0.318 0.076 481 HB VAL 78 HB VAL 78 -4.088 0.555 1.758 482 HG11 VAL 78 1HG1 VAL 78 -3.691 2.605 0.511 483 HG12 VAL 78 2HG1 VAL 78 -5.049 1.718 -0.181 484 HG13 VAL 78 3HG1 VAL 78 -3.475 1.677 -0.974 485 HG21 VAL 78 1HG2 VAL 78 -5.146 -0.747 -0.021 486 HG22 VAL 78 2HG2 VAL 78 -3.821 -1.641 0.723 487 HG23 VAL 78 3HG2 VAL 78 -3.595 -0.878 -0.850 488 H LEU 79 H LEU 79 -0.640 2.218 0.003 489 HA LEU 79 HA LEU 79 -0.443 3.768 2.504 490 HB2 LEU 79 1HB LEU 79 1.553 3.420 0.269 491 HB3 LEU 79 2HB LEU 79 1.720 4.621 1.531 492 HG LEU 79 HG LEU 79 3.137 2.808 2.070 493 HD11 LEU 79 1HD1 LEU 79 1.940 3.803 3.948 494 HD12 LEU 79 2HD1 LEU 79 2.299 2.101 4.233 495 HD13 LEU 79 3HD1 LEU 79 0.668 2.595 3.779 496 HD21 LEU 79 1HD2 LEU 79 0.762 0.977 1.802 497 HD22 LEU 79 2HD2 LEU 79 2.384 0.510 2.318 498 HD23 LEU 79 3HD2 LEU 79 2.114 1.095 0.676 499 H ILE 80 H ILE 80 -1.840 5.436 2.295 500 HA ILE 80 HA ILE 80 -1.770 6.962 -0.200 501 HB ILE 80 HB ILE 80 -3.547 8.382 0.919 502 HG12 ILE 80 1HG1 ILE 80 -3.565 6.076 2.882 503 HG13 ILE 80 2HG1 ILE 80 -3.095 7.732 3.244 504 HG21 ILE 80 1HG2 ILE 80 -5.330 6.708 0.517 505 HG22 ILE 80 2HG2 ILE 80 -4.087 5.461 0.410 506 HG23 ILE 80 3HG2 ILE 80 -4.124 6.774 -0.768 507 HD11 ILE 80 1HD1 ILE 80 -5.340 7.262 4.032 508 HD12 ILE 80 2HD1 ILE 80 -5.835 6.824 2.398 509 HD13 ILE 80 3HD1 ILE 80 -5.364 8.484 2.762 510 H THR 81 H THR 81 -0.467 8.650 -0.409 511 HA THR 81 HA THR 81 0.877 9.620 2.024 512 HB THR 81 HB THR 81 1.875 9.919 -0.809 513 HG1 THR 81 HG1 THR 81 1.590 7.664 0.432 514 HG21 THR 81 1HG2 THR 81 4.046 10.225 0.286 515 HG22 THR 81 2HG2 THR 81 3.278 10.047 1.862 516 HG23 THR 81 3HG2 THR 81 2.880 11.426 0.840 517 H GLY 82 H GLY 82 0.602 11.662 2.638 518 HA2 GLY 82 1HA GLY 82 0.510 14.020 2.091 519 HA3 GLY 82 2HA GLY 82 -0.412 13.596 0.656 520 H SER 83 H SER 83 -1.984 15.154 1.351 521 HA SER 83 HA SER 83 -3.485 14.492 3.765 522 HB2 SER 83 1HB SER 83 -3.904 16.775 1.819 523 HB3 SER 83 2HB SER 83 -4.612 16.612 3.427 524 HG SER 83 HG SER 83 -1.851 16.885 2.817 525 H ALA 84 H ALA 84 -5.339 13.378 3.720 526 HA ALA 84 HA ALA 84 -6.395 12.580 1.119 527 HB1 ALA 84 1HB ALA 84 -5.915 10.834 2.766 528 HB2 ALA 84 2HB ALA 84 -7.630 10.882 2.353 529 HB3 ALA 84 3HB ALA 84 -7.071 11.568 3.879 530 H ASP 85 H ASP 85 -8.203 13.382 0.284 531 HA ASP 85 HA ASP 85 -9.682 15.459 1.494 532 HB2 ASP 85 1HB ASP 85 -9.578 15.193 -0.937 533 HB3 ASP 85 2HB ASP 85 -10.402 13.642 -0.822 534 HA PRO 86 HA PRO 86 -12.190 13.542 4.545 535 HB2 PRO 86 1HB PRO 86 -14.385 15.066 3.197 536 HB3 PRO 86 2HB PRO 86 -14.010 14.924 4.918 537 HG2 PRO 86 1HG PRO 86 -13.308 17.096 3.538 538 HG3 PRO 86 2HG PRO 86 -12.259 16.428 4.799 539 HD2 PRO 86 1HD PRO 86 -11.935 16.385 1.861 540 HD3 PRO 86 2HD PRO 86 -10.706 16.295 3.135 541 H ASP 87 H ASP 87 -13.854 13.771 1.386 542 HA ASP 87 HA ASP 87 -15.553 11.552 1.930 543 HB2 ASP 87 1HB ASP 87 -14.881 12.938 -0.670 544 HB3 ASP 87 2HB ASP 87 -16.105 11.683 -0.511 545 H GLU 88 H GLU 88 -12.607 11.958 0.021 546 HA GLU 88 HA GLU 88 -12.489 9.308 -0.943 547 HB2 GLU 88 1HB GLU 88 -10.325 11.372 -0.530 548 HB3 GLU 88 2HB GLU 88 -10.073 9.841 -1.356 549 HG2 GLU 88 1HG GLU 88 -11.695 10.453 -3.046 550 HG3 GLU 88 2HG GLU 88 -12.026 11.965 -2.202 551 H LYS 89 H LYS 89 -11.242 10.852 1.964 552 HA LYS 89 HA LYS 89 -9.774 8.651 2.956 553 HB2 LYS 89 1HB LYS 89 -9.521 10.934 3.830 554 HB3 LYS 89 2HB LYS 89 -11.164 10.889 4.450 555 HG2 LYS 89 1HG LYS 89 -10.545 9.104 5.989 556 HG3 LYS 89 2HG LYS 89 -8.898 9.123 5.356 557 HD2 LYS 89 1HD LYS 89 -8.561 11.369 6.148 558 HD3 LYS 89 2HD LYS 89 -10.251 11.498 6.632 559 HE2 LYS 89 1HE LYS 89 -8.247 9.567 7.795 560 HE3 LYS 89 2HE LYS 89 -8.744 11.087 8.538 561 HZ1 LYS 89 1HZ LYS 89 -9.940 9.226 9.479 562 HZ2 LYS 89 2HZ LYS 89 -10.518 8.777 7.956 563 HZ3 LYS 89 3HZ LYS 89 -11.010 10.239 8.651 564 H THR 90 H THR 90 -13.135 9.671 3.330 565 HA THR 90 HA THR 90 -13.972 7.649 5.083 566 HB THR 90 HB THR 90 -15.573 9.065 2.938 567 HG1 THR 90 HG1 THR 90 -14.684 10.514 4.463 568 HG21 THR 90 1HG2 THR 90 -16.681 7.026 3.741 569 HG22 THR 90 2HG2 THR 90 -17.532 8.475 4.276 570 HG23 THR 90 3HG2 THR 90 -16.506 7.590 5.404 571 H LYS 91 H LYS 91 -13.947 7.791 1.529 572 HA LYS 91 HA LYS 91 -15.064 5.238 1.095 573 HB2 LYS 91 1HB LYS 91 -13.560 7.205 -0.546 574 HB3 LYS 91 2HB LYS 91 -13.599 5.549 -1.131 575 HG2 LYS 91 1HG LYS 91 -15.367 6.867 -2.130 576 HG3 LYS 91 2HG LYS 91 -16.035 5.590 -1.116 577 HD2 LYS 91 1HD LYS 91 -16.417 7.201 0.675 578 HD3 LYS 91 2HD LYS 91 -15.718 8.482 -0.316 579 HE2 LYS 91 1HE LYS 91 -18.167 8.527 -0.361 580 HE3 LYS 91 2HE LYS 91 -17.486 8.209 -1.955 581 HZ1 LYS 91 1HZ LYS 91 -19.364 6.767 -1.486 582 HZ2 LYS 91 2HZ LYS 91 -18.590 6.161 -0.110 583 HZ3 LYS 91 3HZ LYS 91 -17.946 5.860 -1.645 584 H ALA 92 H ALA 92 -11.778 6.308 1.664 585 HA ALA 92 HA ALA 92 -10.504 3.915 0.831 586 HB1 ALA 92 1HB ALA 92 -8.518 4.821 1.872 587 HB2 ALA 92 2HB ALA 92 -9.482 6.016 2.741 588 HB3 ALA 92 3HB ALA 92 -9.350 6.097 0.984 589 H LYS 93 H LYS 93 -11.504 5.210 3.979 590 HA LYS 93 HA LYS 93 -10.482 2.965 5.388 591 HB2 LYS 93 1HB LYS 93 -11.418 3.924 7.364 592 HB3 LYS 93 2HB LYS 93 -10.773 5.237 6.394 593 HG2 LYS 93 1HG LYS 93 -13.005 5.804 5.632 594 HG3 LYS 93 2HG LYS 93 -13.675 4.450 6.545 595 HD2 LYS 93 1HD LYS 93 -12.734 5.492 8.615 596 HD3 LYS 93 2HD LYS 93 -12.302 6.898 7.644 597 HE2 LYS 93 1HE LYS 93 -14.404 7.292 8.775 598 HE3 LYS 93 2HE LYS 93 -14.669 7.181 7.037 599 HZ1 LYS 93 1HZ LYS 93 -15.436 4.917 7.324 600 HZ2 LYS 93 2HZ LYS 93 -16.342 5.961 8.289 601 HZ3 LYS 93 3HZ LYS 93 -15.146 4.992 8.989 602 H LYS 94 H LYS 94 -13.573 3.800 3.990 603 HA LYS 94 HA LYS 94 -15.108 1.792 5.257 604 HB2 LYS 94 1HB LYS 94 -16.036 3.779 4.034 605 HB3 LYS 94 2HB LYS 94 -15.566 3.014 2.526 606 HG2 LYS 94 1HG LYS 94 -17.307 1.491 4.390 607 HG3 LYS 94 2HG LYS 94 -18.014 2.820 3.475 608 HD2 LYS 94 1HD LYS 94 -17.409 1.801 1.397 609 HD3 LYS 94 2HD LYS 94 -16.451 0.568 2.221 610 HE2 LYS 94 1HE LYS 94 -18.685 -0.216 1.427 611 HE3 LYS 94 2HE LYS 94 -18.406 -0.433 3.152 612 HZ1 LYS 94 1HZ LYS 94 -19.732 1.513 3.601 613 HZ2 LYS 94 2HZ LYS 94 -20.626 0.434 2.655 614 HZ3 LYS 94 3HZ LYS 94 -19.941 1.806 1.949 615 H ALA 95 H ALA 95 -13.501 1.913 2.091 616 HA ALA 95 HA ALA 95 -14.104 -0.757 1.379 617 HB1 ALA 95 1HB ALA 95 -13.439 1.038 -0.211 618 HB2 ALA 95 2HB ALA 95 -12.540 -0.464 -0.413 619 HB3 ALA 95 3HB ALA 95 -11.790 0.910 0.402 620 H ALA 96 H ALA 96 -11.512 0.728 3.197 621 HA ALA 96 HA ALA 96 -9.720 -1.421 3.315 622 HB1 ALA 96 1HB ALA 96 -9.185 0.866 4.046 623 HB2 ALA 96 2HB ALA 96 -8.793 -0.337 5.272 624 HB3 ALA 96 3HB ALA 96 -10.242 0.653 5.440 625 H GLU 97 H GLU 97 -12.602 -0.694 5.212 626 HA GLU 97 HA GLU 97 -12.168 -2.703 7.176 627 HB2 GLU 97 1HB GLU 97 -14.691 -1.282 6.333 628 HB3 GLU 97 2HB GLU 97 -14.578 -2.355 7.721 629 HG2 GLU 97 1HG GLU 97 -12.816 -0.860 8.640 630 HG3 GLU 97 2HG GLU 97 -13.140 0.250 7.310 631 H GLU 98 H GLU 98 -13.432 -2.745 3.973 632 HA GLU 98 HA GLU 98 -14.620 -5.376 4.298 633 HB2 GLU 98 1HB GLU 98 -14.139 -3.816 1.752 634 HB3 GLU 98 2HB GLU 98 -15.187 -5.213 1.946 635 HG2 GLU 98 1HG GLU 98 -15.584 -2.481 3.144 636 HG3 GLU 98 2HG GLU 98 -16.508 -3.207 1.831 637 H ALA 99 H ALA 99 -11.848 -3.878 2.689 638 HA ALA 99 HA ALA 99 -10.889 -6.273 1.510 639 HB1 ALA 99 1HB ALA 99 -9.430 -3.693 2.032 640 HB2 ALA 99 2HB ALA 99 -10.395 -4.063 0.604 641 HB3 ALA 99 3HB ALA 99 -8.920 -4.973 0.932 642 H ARG 100 H ARG 100 -10.674 -5.108 4.708 643 HA ARG 100 HA ARG 100 -8.122 -6.065 5.416 644 HB2 ARG 100 1HB ARG 100 -8.864 -5.911 7.734 645 HB3 ARG 100 2HB ARG 100 -9.347 -4.492 6.825 646 HG2 ARG 100 1HG ARG 100 -11.233 -4.903 8.046 647 HG3 ARG 100 2HG ARG 100 -11.602 -5.778 6.561 648 HD2 ARG 100 1HD ARG 100 -12.163 -7.105 8.531 649 HD3 ARG 100 2HD ARG 100 -10.870 -7.863 7.603 650 HE ARG 100 HE ARG 100 -9.801 -6.208 9.640 651 HH11 ARG 100 1HH1 ARG 100 -11.363 -9.304 9.142 652 HH12 ARG 100 2HH1 ARG 100 -10.672 -10.021 10.564 653 HH21 ARG 100 1HH2 ARG 100 -8.910 -7.135 11.514 654 HH22 ARG 100 2HH2 ARG 100 -9.288 -8.776 11.926 655 H LYS 101 H LYS 101 -11.001 -7.723 4.678 656 HA LYS 101 HA LYS 101 -10.659 -10.120 6.098 657 HB2 LYS 101 1HB LYS 101 -12.715 -9.799 4.971 658 HB3 LYS 101 2HB LYS 101 -11.919 -9.460 3.442 659 HG2 LYS 101 1HG LYS 101 -11.202 -11.797 3.306 660 HG3 LYS 101 2HG LYS 101 -12.027 -12.130 4.829 661 HD2 LYS 101 1HD LYS 101 -14.154 -11.694 3.866 662 HD3 LYS 101 2HD LYS 101 -13.427 -11.017 2.406 663 HE2 LYS 101 1HE LYS 101 -14.304 -13.315 2.093 664 HE3 LYS 101 2HE LYS 101 -12.577 -13.173 1.766 665 HZ1 LYS 101 1HZ LYS 101 -12.117 -14.092 3.944 666 HZ2 LYS 101 2HZ LYS 101 -13.099 -15.151 3.063 667 HZ3 LYS 101 3HZ LYS 101 -13.771 -14.198 4.285 668 H TRP 102 H TRP 102 -9.155 -8.870 3.197 669 HA TRP 102 HA TRP 102 -7.672 -11.362 2.797 670 HB2 TRP 102 1HB TRP 102 -7.882 -8.858 1.110 671 HB3 TRP 102 2HB TRP 102 -6.897 -10.260 0.693 672 HD1 TRP 102 HD1 TRP 102 -8.117 -12.350 -0.325 673 HE1 TRP 102 HE1 TRP 102 -10.521 -12.777 -1.154 674 HE3 TRP 102 HE3 TRP 102 -10.384 -8.203 1.617 675 HZ2 TRP 102 HZ2 TRP 102 -13.033 -11.513 -1.000 676 HZ3 TRP 102 HZ3 TRP 102 -12.792 -7.885 1.228 677 HH2 TRP 102 HH2 TRP 102 -14.087 -9.508 -0.055 678 H ASN 103 H ASN 103 -7.332 -9.292 4.965 679 HA ASN 103 HA ASN 103 -5.661 -8.460 6.229 680 HB2 ASN 103 1HB ASN 103 -3.939 -10.163 4.421 681 HB3 ASN 103 2HB ASN 103 -3.346 -9.337 5.859 682 HD21 ASN 103 1HD2 ASN 103 -5.212 -11.968 4.628 683 HD22 ASN 103 2HD2 ASN 103 -5.435 -12.787 6.135 684 H VAL 104 H VAL 104 -6.610 -6.894 4.102 685 HA VAL 104 HA VAL 104 -4.258 -5.492 3.098 686 HB VAL 104 HB VAL 104 -7.186 -4.900 2.620 687 HG11 VAL 104 1HG1 VAL 104 -6.382 -3.524 0.760 688 HG12 VAL 104 2HG1 VAL 104 -4.717 -3.863 1.232 689 HG13 VAL 104 3HG1 VAL 104 -5.768 -2.945 2.309 690 HG21 VAL 104 1HG2 VAL 104 -6.616 -7.067 1.708 691 HG22 VAL 104 2HG2 VAL 104 -5.197 -6.391 0.912 692 HG23 VAL 104 3HG2 VAL 104 -6.811 -5.904 0.396 693 H ARG 105 H ARG 105 -3.355 -4.025 4.362 694 HA ARG 105 HA ARG 105 -5.043 -2.575 6.292 695 HB2 ARG 105 1HB ARG 105 -3.229 -3.906 7.281 696 HB3 ARG 105 2HB ARG 105 -2.054 -3.037 6.308 697 HG2 ARG 105 1HG ARG 105 -2.390 -1.036 7.508 698 HG3 ARG 105 2HG ARG 105 -3.852 -1.657 8.277 699 HD2 ARG 105 1HD ARG 105 -1.957 -1.655 9.823 700 HD3 ARG 105 2HD ARG 105 -2.537 -3.285 9.509 701 HE ARG 105 HE ARG 105 -0.151 -2.175 8.173 702 HH11 ARG 105 1HH1 ARG 105 -1.777 -4.760 9.896 703 HH12 ARG 105 2HH1 ARG 105 -0.410 -5.825 9.837 704 HH21 ARG 105 1HH2 ARG 105 1.639 -3.583 8.089 705 HH22 ARG 105 2HH2 ARG 105 1.531 -5.157 8.811 706 H VAL 106 H VAL 106 -5.242 -0.422 6.155 707 HA VAL 106 HA VAL 106 -3.706 0.941 4.035 708 HB VAL 106 HB VAL 106 -6.482 1.677 4.968 709 HG11 VAL 106 1HG1 VAL 106 -4.916 2.483 2.520 710 HG12 VAL 106 2HG1 VAL 106 -5.231 3.492 3.932 711 HG13 VAL 106 3HG1 VAL 106 -6.566 2.978 2.900 712 HG21 VAL 106 1HG2 VAL 106 -5.700 0.013 2.579 713 HG22 VAL 106 2HG2 VAL 106 -7.317 0.628 2.911 714 HG23 VAL 106 3HG2 VAL 106 -6.578 -0.542 4.002 715 H ARG 107 H ARG 107 -2.555 2.690 4.641 716 HA ARG 107 HA ARG 107 -3.395 4.205 6.986 717 HB2 ARG 107 1HB ARG 107 -1.075 4.204 7.900 718 HB3 ARG 107 2HB ARG 107 -1.886 2.647 7.997 719 HG2 ARG 107 1HG ARG 107 -0.614 1.785 6.183 720 HG3 ARG 107 2HG ARG 107 0.045 3.380 5.812 721 HD2 ARG 107 1HD ARG 107 1.636 1.923 7.022 722 HD3 ARG 107 2HD ARG 107 1.261 3.414 7.881 723 HE ARG 107 HE ARG 107 -0.494 1.470 8.808 724 HH11 ARG 107 1HH1 ARG 107 2.944 2.104 8.819 725 HH12 ARG 107 2HH1 ARG 107 3.222 1.258 10.308 726 HH21 ARG 107 1HH2 ARG 107 -0.131 0.366 10.774 727 HH22 ARG 107 2HH2 ARG 107 1.482 0.251 11.406 728 H THR 108 H THR 108 -2.340 6.267 7.178 729 HA THR 108 HA THR 108 -1.569 7.341 4.563 730 HB THR 108 HB THR 108 -2.250 8.967 7.008 731 HG1 THR 108 HG1 THR 108 -4.398 8.900 6.379 732 HG21 THR 108 1HG2 THR 108 -2.469 9.524 4.046 733 HG22 THR 108 2HG2 THR 108 -1.231 10.153 5.133 734 HG23 THR 108 3HG2 THR 108 -2.914 10.638 5.339 735 H VAL 109 H VAL 109 0.462 8.003 4.201 736 HA VAL 109 HA VAL 109 2.204 8.407 6.539 737 HB VAL 109 HB VAL 109 4.129 7.886 5.034 738 HG11 VAL 109 1HG1 VAL 109 3.764 5.448 5.054 739 HG12 VAL 109 2HG1 VAL 109 2.057 5.725 5.396 740 HG13 VAL 109 3HG1 VAL 109 3.282 6.216 6.566 741 HG21 VAL 109 1HG2 VAL 109 3.694 6.667 2.950 742 HG22 VAL 109 2HG2 VAL 109 3.078 8.317 2.880 743 HG23 VAL 109 3HG2 VAL 109 1.967 6.971 3.136 744 H THR 110 H THR 110 3.490 10.215 6.613 745 HA THR 110 HA THR 110 2.698 12.312 4.708 746 HB THR 110 HB THR 110 3.670 12.831 7.509 747 HG1 THR 110 HG1 THR 110 1.034 12.188 6.620 748 HG21 THR 110 1HG2 THR 110 2.345 14.871 7.259 749 HG22 THR 110 2HG2 THR 110 1.832 14.352 5.652 750 HG23 THR 110 3HG2 THR 110 3.527 14.733 5.958 751 H SER 111 H SER 111 5.383 10.641 6.108 752 HA SER 111 HA SER 111 7.219 12.543 4.821 753 HB2 SER 111 1HB SER 111 8.833 12.066 6.652 754 HB3 SER 111 2HB SER 111 7.357 12.834 7.236 755 HG SER 111 HG SER 111 7.168 11.187 8.506 756 HA PRO 112 HA PRO 112 9.010 9.010 2.719 757 HB2 PRO 112 1HB PRO 112 11.552 10.509 2.945 758 HB3 PRO 112 2HB PRO 112 10.722 9.918 1.504 759 HG2 PRO 112 1HG PRO 112 10.764 12.521 2.106 760 HG3 PRO 112 2HG PRO 112 9.331 11.764 1.389 761 HD2 PRO 112 1HD PRO 112 9.838 12.543 4.233 762 HD3 PRO 112 2HD PRO 112 8.356 12.688 3.269 763 H ASP 113 H ASP 113 10.288 10.410 5.643 764 HA ASP 113 HA ASP 113 12.110 8.396 6.382 765 HB2 ASP 113 1HB ASP 113 10.384 10.147 8.152 766 HB3 ASP 113 2HB ASP 113 11.778 9.216 8.691 767 H GLU 114 H GLU 114 8.685 8.865 7.100 768 HA GLU 114 HA GLU 114 8.305 6.474 8.540 769 HB2 GLU 114 1HB GLU 114 6.776 8.512 8.425 770 HB3 GLU 114 2HB GLU 114 6.231 7.898 6.872 771 HG2 GLU 114 1HG GLU 114 4.677 7.276 8.584 772 HG3 GLU 114 2HG GLU 114 5.486 5.835 7.971 773 H ALA 115 H ALA 115 8.140 7.320 5.150 774 HA ALA 115 HA ALA 115 6.915 5.060 4.111 775 HB1 ALA 115 1HB ALA 115 7.326 7.110 2.831 776 HB2 ALA 115 2HB ALA 115 7.891 5.670 1.981 777 HB3 ALA 115 3HB ALA 115 9.047 6.727 2.792 778 H LYS 116 H LYS 116 10.420 5.668 4.457 779 HA LYS 116 HA LYS 116 11.149 3.148 3.413 780 HB2 LYS 116 1HB LYS 116 13.392 3.619 4.281 781 HB3 LYS 116 2HB LYS 116 12.721 4.995 3.422 782 HG2 LYS 116 1HG LYS 116 12.206 6.088 5.530 783 HG3 LYS 116 2HG LYS 116 12.822 4.689 6.416 784 HD2 LYS 116 1HD LYS 116 15.037 5.046 5.529 785 HD3 LYS 116 2HD LYS 116 14.452 6.353 4.500 786 HE2 LYS 116 1HE LYS 116 15.584 7.245 6.454 787 HE3 LYS 116 2HE LYS 116 13.872 7.655 6.490 788 HZ1 LYS 116 1HZ LYS 116 15.154 5.454 8.016 789 HZ2 LYS 116 2HZ LYS 116 13.512 5.854 8.061 790 HZ3 LYS 116 3HZ LYS 116 14.662 6.940 8.655 791 H ARG 117 H ARG 117 9.969 4.063 6.494 792 HA ARG 117 HA ARG 117 11.203 1.886 7.911 793 HB2 ARG 117 1HB ARG 117 10.642 4.016 9.043 794 HB3 ARG 117 2HB ARG 117 8.936 3.686 8.787 795 HG2 ARG 117 1HG ARG 117 10.541 1.629 10.203 796 HG3 ARG 117 2HG ARG 117 10.155 3.118 11.066 797 HD2 ARG 117 1HD ARG 117 7.848 2.739 10.911 798 HD3 ARG 117 2HD ARG 117 8.041 1.532 9.642 799 HE ARG 117 HE ARG 117 9.170 0.174 11.475 800 HH11 ARG 117 1HH1 ARG 117 6.643 2.508 12.143 801 HH12 ARG 117 2HH1 ARG 117 6.030 1.639 13.510 802 HH21 ARG 117 1HH2 ARG 117 8.353 -0.991 13.245 803 HH22 ARG 117 2HH2 ARG 117 7.006 -0.351 14.145 804 H TRP 118 H TRP 118 7.870 2.558 6.721 805 HA TRP 118 HA TRP 118 6.901 0.116 7.786 806 HB2 TRP 118 1HB TRP 118 4.892 0.434 6.361 807 HB3 TRP 118 2HB TRP 118 5.274 1.818 7.366 808 HD1 TRP 118 HD1 TRP 118 5.376 4.087 6.199 809 HE1 TRP 118 HE1 TRP 118 5.271 4.894 3.762 810 HE3 TRP 118 HE3 TRP 118 5.670 -0.430 3.817 811 HZ2 TRP 118 HZ2 TRP 118 5.326 3.786 1.180 812 HZ3 TRP 118 HZ3 TRP 118 5.636 -0.463 1.360 813 HH2 TRP 118 HH2 TRP 118 5.466 1.603 0.069 814 H ILE 119 H ILE 119 8.546 0.896 4.846 815 HA ILE 119 HA ILE 119 7.887 -1.350 3.308 816 HB ILE 119 HB ILE 119 10.515 0.147 3.396 817 HG12 ILE 119 1HG1 ILE 119 8.123 0.421 1.563 818 HG13 ILE 119 2HG1 ILE 119 8.573 1.552 2.833 819 HG21 ILE 119 1HG2 ILE 119 10.810 -2.042 2.386 820 HG22 ILE 119 2HG2 ILE 119 10.891 -0.788 1.149 821 HG23 ILE 119 3HG2 ILE 119 9.432 -1.760 1.322 822 HD11 ILE 119 1HD1 ILE 119 10.678 1.999 1.635 823 HD12 ILE 119 2HD1 ILE 119 9.243 2.414 0.698 824 HD13 ILE 119 3HD1 ILE 119 10.135 0.934 0.340 825 H LYS 120 H LYS 120 10.681 -0.884 5.490 826 HA LYS 120 HA LYS 120 11.599 -3.550 5.202 827 HB2 LYS 120 1HB LYS 120 13.110 -3.057 7.053 828 HB3 LYS 120 2HB LYS 120 13.082 -1.718 5.916 829 HG2 LYS 120 1HG LYS 120 11.787 -0.381 7.366 830 HG3 LYS 120 2HG LYS 120 11.433 -1.748 8.423 831 HD2 LYS 120 1HD LYS 120 14.176 -0.568 7.980 832 HD3 LYS 120 2HD LYS 120 13.133 -0.218 9.361 833 HE2 LYS 120 1HE LYS 120 13.123 -2.684 9.844 834 HE3 LYS 120 2HE LYS 120 14.364 -2.864 8.608 835 HZ1 LYS 120 1HZ LYS 120 14.587 -1.227 11.072 836 HZ2 LYS 120 2HZ LYS 120 15.779 -1.368 9.883 837 HZ3 LYS 120 3HZ LYS 120 15.333 -2.718 10.798 838 H GLU 121 H GLU 121 9.407 -1.977 7.423 839 HA GLU 121 HA GLU 121 9.376 -4.064 9.364 840 HB2 GLU 121 1HB GLU 121 8.777 -1.594 9.675 841 HB3 GLU 121 2HB GLU 121 7.225 -1.994 8.955 842 HG2 GLU 121 1HG GLU 121 6.954 -2.023 11.306 843 HG3 GLU 121 2HG GLU 121 6.921 -3.697 10.752 844 H PHE 122 H PHE 122 7.652 -3.462 6.410 845 HA PHE 122 HA PHE 122 5.559 -5.380 7.057 846 HB2 PHE 122 1HB PHE 122 5.117 -3.221 5.826 847 HB3 PHE 122 2HB PHE 122 5.991 -3.898 4.459 848 HD1 PHE 122 HD1 PHE 122 4.793 -4.985 2.821 849 HD2 PHE 122 HD2 PHE 122 3.166 -4.718 6.744 850 HE1 PHE 122 HE1 PHE 122 2.710 -6.026 2.027 851 HE2 PHE 122 HE2 PHE 122 1.083 -5.761 5.956 852 HZ PHE 122 HZ PHE 122 0.854 -6.416 3.595 853 H SER 123 H SER 123 8.606 -5.309 5.527 854 HA SER 123 HA SER 123 8.204 -7.383 3.631 855 HB2 SER 123 1HB SER 123 10.046 -5.749 3.454 856 HB3 SER 123 2HB SER 123 10.776 -6.420 4.910 857 HG SER 123 HG SER 123 10.522 -7.578 2.347 858 H GLU 124 H GLU 124 9.174 -7.319 7.002 859 HA GLU 124 HA GLU 124 9.572 -10.220 6.965 860 HB2 GLU 124 1HB GLU 124 10.474 -9.933 9.231 861 HB3 GLU 124 2HB GLU 124 11.312 -8.915 8.070 862 HG2 GLU 124 1HG GLU 124 9.997 -6.992 8.814 863 HG3 GLU 124 2HG GLU 124 9.174 -8.018 9.988 864 H GLU 125 H GLU 125 8.744 -11.271 9.120 865 HA GLU 125 HA GLU 125 6.977 -12.030 10.314 866 HB2 GLU 125 1HB GLU 125 6.195 -9.119 10.182 867 HB3 GLU 125 2HB GLU 125 5.296 -10.316 11.104 868 HG2 GLU 125 1HG GLU 125 8.197 -9.637 11.522 869 HG3 GLU 125 2HG GLU 125 6.855 -9.008 12.480 Start of MODEL 20 1 HA MET 21 HA MET 21 3.589 -16.219 1.095 2 HB2 MET 21 1HB MET 21 5.317 -14.150 2.470 3 HB3 MET 21 2HB MET 21 3.562 -14.142 2.472 4 HG2 MET 21 1HG MET 21 3.565 -16.286 3.654 5 HG3 MET 21 2HG MET 21 5.327 -16.262 3.671 6 HE1 MET 21 1HE MET 21 6.041 -13.098 5.896 7 HE2 MET 21 2HE MET 21 5.812 -13.078 4.148 8 HE3 MET 21 3HE MET 21 6.750 -14.367 4.899 9 H ARG 22 H ARG 22 2.315 -14.477 0.240 10 HA ARG 22 HA ARG 22 3.641 -13.043 -1.937 11 HB2 ARG 22 1HB ARG 22 0.726 -13.456 -1.253 12 HB3 ARG 22 2HB ARG 22 1.275 -12.427 -2.566 13 HG2 ARG 22 1HG ARG 22 2.055 -15.316 -2.410 14 HG3 ARG 22 2HG ARG 22 0.527 -14.804 -3.125 15 HD2 ARG 22 1HD ARG 22 2.163 -15.057 -4.870 16 HD3 ARG 22 2HD ARG 22 1.789 -13.350 -4.677 17 HE ARG 22 HE ARG 22 4.155 -14.388 -3.308 18 HH11 ARG 22 1HH1 ARG 22 2.778 -12.531 -5.931 19 HH12 ARG 22 2HH1 ARG 22 4.273 -11.758 -6.363 20 HH21 ARG 22 1HH2 ARG 22 6.142 -13.372 -3.855 21 HH22 ARG 22 2HH2 ARG 22 6.195 -12.253 -5.177 22 H LEU 23 H LEU 23 4.741 -11.466 -0.781 23 HA LEU 23 HA LEU 23 3.230 -9.706 0.976 24 HB2 LEU 23 1HB LEU 23 6.141 -9.687 0.171 25 HB3 LEU 23 2HB LEU 23 5.416 -8.593 1.332 26 HG LEU 23 HG LEU 23 5.624 -11.591 1.647 27 HD11 LEU 23 1HD1 LEU 23 7.782 -10.435 1.822 28 HD12 LEU 23 2HD1 LEU 23 7.260 -11.108 3.366 29 HD13 LEU 23 3HD1 LEU 23 7.103 -9.378 3.059 30 HD21 LEU 23 1HD2 LEU 23 4.862 -11.159 3.944 31 HD22 LEU 23 2HD2 LEU 23 3.646 -10.722 2.746 32 HD23 LEU 23 3HD2 LEU 23 4.605 -9.464 3.528 33 H VAL 24 H VAL 24 1.911 -8.431 -0.160 34 HA VAL 24 HA VAL 24 2.926 -7.182 -2.612 35 HB VAL 24 HB VAL 24 0.073 -7.322 -1.630 36 HG11 VAL 24 1HG1 VAL 24 1.198 -6.580 -4.327 37 HG12 VAL 24 2HG1 VAL 24 0.525 -5.456 -3.145 38 HG13 VAL 24 3HG1 VAL 24 -0.512 -6.666 -3.901 39 HG21 VAL 24 1HG2 VAL 24 -0.249 -9.068 -3.316 40 HG22 VAL 24 2HG2 VAL 24 0.926 -9.557 -2.095 41 HG23 VAL 24 3HG2 VAL 24 1.474 -9.028 -3.685 42 H VAL 25 H VAL 25 3.270 -5.073 -2.734 43 HA VAL 25 HA VAL 25 2.335 -3.372 -0.512 44 HB VAL 25 HB VAL 25 4.840 -2.904 -2.150 45 HG11 VAL 25 1HG1 VAL 25 5.394 -1.309 -0.385 46 HG12 VAL 25 2HG1 VAL 25 3.870 -1.670 0.427 47 HG13 VAL 25 3HG1 VAL 25 3.864 -0.902 -1.161 48 HG21 VAL 25 1HG2 VAL 25 5.108 -4.953 -0.858 49 HG22 VAL 25 2HG2 VAL 25 4.606 -4.111 0.607 50 HG23 VAL 25 3HG2 VAL 25 6.110 -3.661 -0.198 51 H LEU 26 H LEU 26 1.188 -1.606 -1.078 52 HA LEU 26 HA LEU 26 1.119 -0.885 -3.935 53 HB2 LEU 26 1HB LEU 26 -1.023 -1.603 -2.135 54 HB3 LEU 26 2HB LEU 26 -1.253 0.022 -2.749 55 HG LEU 26 HG LEU 26 -0.860 -1.032 -5.079 56 HD11 LEU 26 1HD1 LEU 26 -0.086 -3.214 -4.371 57 HD12 LEU 26 2HD1 LEU 26 -1.610 -3.358 -5.256 58 HD13 LEU 26 3HD1 LEU 26 -1.594 -3.488 -3.497 59 HD21 LEU 26 1HD2 LEU 26 -2.972 -0.113 -4.252 60 HD22 LEU 26 2HD2 LEU 26 -3.359 -1.684 -3.547 61 HD23 LEU 26 3HD2 LEU 26 -3.194 -1.515 -5.293 62 H ILE 27 H ILE 27 1.445 1.212 -4.423 63 HA ILE 27 HA ILE 27 1.578 3.111 -2.177 64 HB ILE 27 HB ILE 27 3.846 2.503 -2.865 65 HG12 ILE 27 1HG1 ILE 27 4.740 4.743 -3.325 66 HG13 ILE 27 2HG1 ILE 27 3.132 5.304 -3.774 67 HG21 ILE 27 1HG2 ILE 27 3.060 3.515 -5.591 68 HG22 ILE 27 2HG2 ILE 27 3.402 1.841 -5.153 69 HG23 ILE 27 3HG2 ILE 27 4.688 3.046 -5.097 70 HD11 ILE 27 1HD1 ILE 27 2.375 4.931 -1.489 71 HD12 ILE 27 2HD1 ILE 27 3.757 6.024 -1.539 72 HD13 ILE 27 3HD1 ILE 27 3.978 4.344 -1.051 73 H VAL 28 H VAL 28 0.774 5.122 -2.513 74 HA VAL 28 HA VAL 28 -0.952 5.453 -4.829 75 HB VAL 28 HB VAL 28 -0.638 7.107 -2.312 76 HG11 VAL 28 1HG1 VAL 28 -1.411 8.497 -4.158 77 HG12 VAL 28 2HG1 VAL 28 -2.702 8.233 -2.986 78 HG13 VAL 28 3HG1 VAL 28 -2.692 7.338 -4.507 79 HG21 VAL 28 1HG2 VAL 28 -2.767 5.149 -3.162 80 HG22 VAL 28 2HG2 VAL 28 -2.826 6.152 -1.714 81 HG23 VAL 28 3HG2 VAL 28 -1.579 4.916 -1.880 82 H SER 29 H SER 29 -0.662 6.921 -6.415 83 HA SER 29 HA SER 29 1.910 7.847 -6.987 84 HB2 SER 29 1HB SER 29 -0.736 8.720 -8.153 85 HB3 SER 29 2HB SER 29 0.842 9.091 -8.846 86 HG SER 29 HG SER 29 -0.116 6.457 -8.360 87 H ASN 30 H ASN 30 2.888 9.775 -6.904 88 HA ASN 30 HA ASN 30 1.816 12.194 -5.955 89 HB2 ASN 30 1HB ASN 30 1.654 10.814 -3.857 90 HB3 ASN 30 2HB ASN 30 3.399 10.603 -3.911 91 HD21 ASN 30 1HD2 ASN 30 3.533 11.570 -1.865 92 HD22 ASN 30 2HD2 ASN 30 3.425 13.283 -1.676 93 H ASP 31 H ASP 31 4.021 13.440 -4.966 94 HA ASP 31 HA ASP 31 5.803 13.899 -6.954 95 HB2 ASP 31 1HB ASP 31 5.751 15.103 -4.772 96 HB3 ASP 31 2HB ASP 31 6.572 13.732 -4.032 97 H LYS 32 H LYS 32 7.588 12.990 -7.818 98 HA LYS 32 HA LYS 32 7.622 10.196 -7.872 99 HB2 LYS 32 1HB LYS 32 9.644 12.173 -8.910 100 HB3 LYS 32 2HB LYS 32 9.651 10.459 -9.289 101 HG2 LYS 32 1HG LYS 32 7.481 12.425 -9.974 102 HG3 LYS 32 2HG LYS 32 8.659 11.736 -11.089 103 HD2 LYS 32 1HD LYS 32 6.556 10.204 -9.561 104 HD3 LYS 32 2HD LYS 32 6.497 10.614 -11.272 105 HE2 LYS 32 1HE LYS 32 8.593 8.885 -9.967 106 HE3 LYS 32 2HE LYS 32 7.212 8.293 -10.884 107 HZ1 LYS 32 1HZ LYS 32 9.177 8.341 -12.254 108 HZ2 LYS 32 2HZ LYS 32 9.409 9.985 -11.940 109 HZ3 LYS 32 3HZ LYS 32 8.061 9.475 -12.825 110 H LYS 33 H LYS 33 9.353 12.367 -5.818 111 HA LYS 33 HA LYS 33 11.576 10.683 -5.274 112 HB2 LYS 33 1HB LYS 33 11.435 13.145 -4.787 113 HB3 LYS 33 2HB LYS 33 10.360 12.764 -3.450 114 HG2 LYS 33 1HG LYS 33 12.120 11.487 -2.371 115 HG3 LYS 33 2HG LYS 33 13.201 11.807 -3.730 116 HD2 LYS 33 1HD LYS 33 12.967 14.237 -3.267 117 HD3 LYS 33 2HD LYS 33 12.022 13.833 -1.833 118 HE2 LYS 33 1HE LYS 33 13.936 12.572 -0.952 119 HE3 LYS 33 2HE LYS 33 14.877 13.023 -2.371 120 HZ1 LYS 33 1HZ LYS 33 13.752 14.901 -0.367 121 HZ2 LYS 33 2HZ LYS 33 14.641 15.344 -1.736 122 HZ3 LYS 33 3HZ LYS 33 15.378 14.455 -0.503 123 H LEU 34 H LEU 34 8.361 11.017 -3.866 124 HA LEU 34 HA LEU 34 8.813 9.262 -1.666 125 HB2 LEU 34 1HB LEU 34 6.961 10.915 -1.747 126 HB3 LEU 34 2HB LEU 34 6.203 9.968 -3.015 127 HG LEU 34 HG LEU 34 6.396 8.046 -1.194 128 HD11 LEU 34 1HD1 LEU 34 7.564 9.438 0.432 129 HD12 LEU 34 2HD1 LEU 34 6.008 8.881 1.045 130 HD13 LEU 34 3HD1 LEU 34 6.189 10.540 0.476 131 HD21 LEU 34 1HD2 LEU 34 4.107 8.550 -0.522 132 HD22 LEU 34 2HD2 LEU 34 4.338 8.790 -2.253 133 HD23 LEU 34 3HD2 LEU 34 4.271 10.180 -1.170 134 H ILE 35 H ILE 35 7.371 8.873 -4.875 135 HA ILE 35 HA ILE 35 6.611 6.179 -4.623 136 HB ILE 35 HB ILE 35 7.416 7.666 -7.132 137 HG12 ILE 35 1HG1 ILE 35 4.680 7.193 -5.918 138 HG13 ILE 35 2HG1 ILE 35 5.538 8.731 -5.946 139 HG21 ILE 35 1HG2 ILE 35 6.112 5.962 -8.324 140 HG22 ILE 35 2HG2 ILE 35 5.857 5.104 -6.804 141 HG23 ILE 35 3HG2 ILE 35 7.484 5.260 -7.466 142 HD11 ILE 35 1HD1 ILE 35 5.416 8.766 -8.373 143 HD12 ILE 35 2HD1 ILE 35 3.812 8.618 -7.660 144 HD13 ILE 35 3HD1 ILE 35 4.595 7.205 -8.363 145 H GLU 36 H GLU 36 9.599 7.693 -5.724 146 HA GLU 36 HA GLU 36 10.899 5.322 -6.545 147 HB2 GLU 36 1HB GLU 36 11.531 7.659 -7.145 148 HB3 GLU 36 2HB GLU 36 12.192 7.855 -5.536 149 HG2 GLU 36 1HG GLU 36 14.006 7.380 -6.931 150 HG3 GLU 36 2HG GLU 36 13.673 5.878 -6.069 151 H GLU 37 H GLU 37 10.838 7.104 -3.485 152 HA GLU 37 HA GLU 37 12.745 5.567 -2.124 153 HB2 GLU 37 1HB GLU 37 11.678 7.751 -1.370 154 HB3 GLU 37 2HB GLU 37 10.299 6.792 -0.849 155 HG2 GLU 37 1HG GLU 37 11.787 7.272 1.010 156 HG3 GLU 37 2HG GLU 37 11.730 5.541 0.676 157 H ALA 38 H ALA 38 9.216 5.203 -2.317 158 HA ALA 38 HA ALA 38 9.058 2.846 -0.790 159 HB1 ALA 38 1HB ALA 38 7.225 3.720 -3.020 160 HB2 ALA 38 2HB ALA 38 7.111 4.248 -1.341 161 HB3 ALA 38 3HB ALA 38 6.856 2.551 -1.752 162 H ARG 39 H ARG 39 9.374 3.368 -4.284 163 HA ARG 39 HA ARG 39 9.339 0.700 -5.108 164 HB2 ARG 39 1HB ARG 39 9.197 2.601 -6.658 165 HB3 ARG 39 2HB ARG 39 10.869 3.016 -6.305 166 HG2 ARG 39 1HG ARG 39 11.566 0.832 -7.227 167 HG3 ARG 39 2HG ARG 39 9.885 0.513 -7.660 168 HD2 ARG 39 1HD ARG 39 11.538 2.835 -8.642 169 HD3 ARG 39 2HD ARG 39 11.200 1.367 -9.556 170 HE ARG 39 HE ARG 39 8.785 2.043 -9.350 171 HH11 ARG 39 1HH1 ARG 39 11.357 4.421 -9.204 172 HH12 ARG 39 2HH1 ARG 39 10.388 5.694 -9.874 173 HH21 ARG 39 1HH2 ARG 39 7.500 3.720 -10.227 174 HH22 ARG 39 2HH2 ARG 39 8.191 5.294 -10.453 175 H LYS 40 H LYS 40 12.157 2.781 -4.424 176 HA LYS 40 HA LYS 40 14.211 0.988 -4.721 177 HB2 LYS 40 1HB LYS 40 13.823 3.172 -2.689 178 HB3 LYS 40 2HB LYS 40 15.310 2.248 -2.766 179 HG2 LYS 40 1HG LYS 40 15.601 2.989 -5.107 180 HG3 LYS 40 2HG LYS 40 14.158 3.990 -4.932 181 HD2 LYS 40 1HD LYS 40 16.689 4.223 -3.297 182 HD3 LYS 40 2HD LYS 40 16.191 5.311 -4.594 183 HE2 LYS 40 1HE LYS 40 14.251 5.991 -3.330 184 HE3 LYS 40 2HE LYS 40 14.625 4.821 -2.065 185 HZ1 LYS 40 1HZ LYS 40 16.228 7.212 -2.788 186 HZ2 LYS 40 2HZ LYS 40 16.694 6.052 -1.650 187 HZ3 LYS 40 3HZ LYS 40 15.311 6.993 -1.378 188 H MET 41 H MET 41 12.312 1.469 -1.748 189 HA MET 41 HA MET 41 13.823 -0.454 -0.285 190 HB2 MET 41 1HB MET 41 11.218 0.935 0.329 191 HB3 MET 41 2HB MET 41 12.057 -0.123 1.460 192 HG2 MET 41 1HG MET 41 13.144 2.419 0.274 193 HG3 MET 41 2HG MET 41 12.540 2.211 1.915 194 HE1 MET 41 1HE MET 41 15.528 3.247 0.770 195 HE2 MET 41 2HE MET 41 16.518 2.630 2.094 196 HE3 MET 41 3HE MET 41 14.978 3.417 2.435 197 H ALA 42 H ALA 42 10.628 -0.515 -1.822 198 HA ALA 42 HA ALA 42 9.900 -3.067 -0.840 199 HB1 ALA 42 1HB ALA 42 8.154 -3.033 -2.536 200 HB2 ALA 42 2HB ALA 42 8.938 -1.671 -3.335 201 HB3 ALA 42 3HB ALA 42 8.260 -1.474 -1.720 202 H GLU 43 H GLU 43 11.395 -2.022 -3.885 203 HA GLU 43 HA GLU 43 11.412 -4.606 -5.047 204 HB2 GLU 43 1HB GLU 43 11.561 -2.463 -6.311 205 HB3 GLU 43 2HB GLU 43 13.196 -2.258 -5.703 206 HG2 GLU 43 1HG GLU 43 13.070 -3.148 -8.009 207 HG3 GLU 43 2HG GLU 43 13.957 -4.180 -6.887 208 H LYS 44 H LYS 44 13.781 -2.798 -3.141 209 HA LYS 44 HA LYS 44 15.905 -4.640 -3.452 210 HB2 LYS 44 1HB LYS 44 16.298 -2.372 -2.648 211 HB3 LYS 44 2HB LYS 44 15.345 -2.693 -1.207 212 HG2 LYS 44 1HG LYS 44 16.973 -4.288 -0.426 213 HG3 LYS 44 2HG LYS 44 17.894 -4.128 -1.920 214 HD2 LYS 44 1HD LYS 44 17.378 -1.860 -0.000 215 HD3 LYS 44 2HD LYS 44 18.831 -2.858 0.019 216 HE2 LYS 44 1HE LYS 44 19.338 -2.168 -2.272 217 HE3 LYS 44 2HE LYS 44 17.880 -1.177 -2.298 218 HZ1 LYS 44 1HZ LYS 44 18.799 0.161 -0.513 219 HZ2 LYS 44 2HZ LYS 44 19.845 0.144 -1.838 220 HZ3 LYS 44 3HZ LYS 44 20.194 -0.793 -0.479 221 H ALA 45 H ALA 45 13.164 -4.505 -1.276 222 HA ALA 45 HA ALA 45 14.150 -6.727 0.310 223 HB1 ALA 45 1HB ALA 45 11.534 -5.233 0.440 224 HB2 ALA 45 2HB ALA 45 12.957 -4.941 1.439 225 HB3 ALA 45 3HB ALA 45 12.072 -6.459 1.587 226 H ASN 46 H ASN 46 12.870 -6.523 -2.652 227 HA ASN 46 HA ASN 46 11.984 -8.002 -4.114 228 HB2 ASN 46 1HB ASN 46 12.492 -9.922 -1.846 229 HB3 ASN 46 2HB ASN 46 11.817 -10.435 -3.388 230 HD21 ASN 46 1HD2 ASN 46 13.112 -10.482 -5.196 231 HD22 ASN 46 2HD2 ASN 46 14.833 -10.315 -5.118 232 H LEU 47 H LEU 47 10.291 -6.417 -2.438 233 HA LEU 47 HA LEU 47 7.946 -8.104 -1.998 234 HB2 LEU 47 1HB LEU 47 8.238 -5.131 -1.567 235 HB3 LEU 47 2HB LEU 47 6.956 -6.165 -0.965 236 HG LEU 47 HG LEU 47 9.845 -6.243 -0.091 237 HD11 LEU 47 1HD1 LEU 47 7.369 -5.338 1.365 238 HD12 LEU 47 2HD1 LEU 47 8.623 -4.285 0.713 239 HD13 LEU 47 3HD1 LEU 47 9.003 -5.400 2.024 240 HD21 LEU 47 1HD2 LEU 47 8.861 -8.460 -0.023 241 HD22 LEU 47 2HD2 LEU 47 7.469 -7.834 0.859 242 HD23 LEU 47 3HD2 LEU 47 9.063 -7.827 1.610 243 H GLU 48 H GLU 48 6.001 -7.795 -3.130 244 HA GLU 48 HA GLU 48 6.430 -6.869 -5.834 245 HB2 GLU 48 1HB GLU 48 5.317 -9.045 -5.252 246 HB3 GLU 48 2HB GLU 48 3.966 -8.122 -4.612 247 HG2 GLU 48 1HG GLU 48 3.309 -7.394 -6.698 248 HG3 GLU 48 2HG GLU 48 4.881 -7.719 -7.426 249 H LEU 49 H LEU 49 6.363 -4.704 -5.972 250 HA LEU 49 HA LEU 49 4.310 -3.225 -4.505 251 HB2 LEU 49 1HB LEU 49 6.585 -2.450 -4.224 252 HB3 LEU 49 2HB LEU 49 6.791 -2.316 -5.959 253 HG LEU 49 HG LEU 49 5.047 -0.525 -5.972 254 HD11 LEU 49 1HD1 LEU 49 4.491 0.551 -3.843 255 HD12 LEU 49 2HD1 LEU 49 5.326 -0.739 -2.980 256 HD13 LEU 49 3HD1 LEU 49 3.880 -1.101 -3.925 257 HD21 LEU 49 1HD2 LEU 49 7.422 0.010 -5.979 258 HD22 LEU 49 2HD2 LEU 49 7.441 -0.035 -4.215 259 HD23 LEU 49 3HD2 LEU 49 6.505 1.200 -5.056 260 H ILE 50 H ILE 50 2.572 -2.440 -5.457 261 HA ILE 50 HA ILE 50 2.608 -2.080 -8.382 262 HB ILE 50 HB ILE 50 0.344 -2.886 -6.557 263 HG12 ILE 50 1HG1 ILE 50 0.063 -4.623 -8.420 264 HG13 ILE 50 2HG1 ILE 50 1.633 -4.092 -9.005 265 HG21 ILE 50 1HG2 ILE 50 0.095 -1.922 -9.400 266 HG22 ILE 50 2HG2 ILE 50 -0.500 -1.092 -7.963 267 HG23 ILE 50 3HG2 ILE 50 -1.196 -2.641 -8.440 268 HD11 ILE 50 1HD1 ILE 50 1.073 -5.260 -6.290 269 HD12 ILE 50 2HD1 ILE 50 2.650 -4.751 -6.896 270 HD13 ILE 50 3HD1 ILE 50 1.805 -6.103 -7.655 271 H THR 51 H THR 51 2.278 -0.086 -9.131 272 HA THR 51 HA THR 51 1.866 2.067 -7.232 273 HB THR 51 HB THR 51 2.201 3.472 -9.379 274 HG1 THR 51 HG1 THR 51 3.666 1.532 -10.563 275 HG21 THR 51 1HG2 THR 51 4.645 3.184 -9.262 276 HG22 THR 51 2HG2 THR 51 4.415 1.704 -8.331 277 HG23 THR 51 3HG2 THR 51 3.911 3.255 -7.661 278 H VAL 52 H VAL 52 0.011 3.108 -6.934 279 HA VAL 52 HA VAL 52 -2.190 2.637 -8.842 280 HB VAL 52 HB VAL 52 -2.181 2.965 -5.846 281 HG11 VAL 52 1HG1 VAL 52 -4.539 3.277 -5.792 282 HG12 VAL 52 2HG1 VAL 52 -4.673 3.059 -7.535 283 HG13 VAL 52 3HG1 VAL 52 -3.890 4.506 -6.887 284 HG21 VAL 52 1HG2 VAL 52 -1.958 0.716 -6.726 285 HG22 VAL 52 2HG2 VAL 52 -3.406 0.937 -7.708 286 HG23 VAL 52 3HG2 VAL 52 -3.529 0.916 -5.951 287 HA PRO 53 HA PRO 53 -2.568 7.044 -9.696 288 HB2 PRO 53 1HB PRO 53 -5.373 7.045 -9.428 289 HB3 PRO 53 2HB PRO 53 -4.459 6.856 -10.927 290 HG2 PRO 53 1HG PRO 53 -5.665 4.781 -9.163 291 HG3 PRO 53 2HG PRO 53 -5.517 4.807 -10.931 292 HD2 PRO 53 1HD PRO 53 -3.919 3.269 -9.468 293 HD3 PRO 53 2HD PRO 53 -3.275 4.154 -10.868 294 H GLY 54 H GLY 54 -3.457 8.944 -8.654 295 HA2 GLY 54 1HA GLY 54 -2.622 8.905 -5.959 296 HA3 GLY 54 2HA GLY 54 -3.229 10.298 -6.825 297 H SER 55 H SER 55 -5.656 8.153 -7.133 298 HA SER 55 HA SER 55 -7.098 9.325 -4.894 299 HB2 SER 55 1HB SER 55 -8.124 7.489 -7.070 300 HB3 SER 55 2HB SER 55 -9.094 8.465 -5.967 301 HG SER 55 HG SER 55 -7.446 10.146 -7.102 302 HA PRO 56 HA PRO 56 -6.221 5.768 -2.271 303 HB2 PRO 56 1HB PRO 56 -8.563 6.983 -0.877 304 HB3 PRO 56 2HB PRO 56 -7.011 6.462 -0.218 305 HG2 PRO 56 1HG PRO 56 -7.502 9.040 -0.567 306 HG3 PRO 56 2HG PRO 56 -5.907 8.374 -0.971 307 HD2 PRO 56 1HD PRO 56 -8.154 9.152 -2.786 308 HD3 PRO 56 2HD PRO 56 -6.403 9.348 -3.007 309 H GLU 57 H GLU 57 -9.312 6.683 -3.576 310 HA GLU 57 HA GLU 57 -10.961 4.594 -2.860 311 HB2 GLU 57 1HB GLU 57 -10.873 5.857 -5.603 312 HB3 GLU 57 2HB GLU 57 -12.257 5.101 -4.830 313 HG2 GLU 57 1HG GLU 57 -12.307 6.874 -3.161 314 HG3 GLU 57 2HG GLU 57 -10.904 7.629 -3.916 315 H GLU 58 H GLU 58 -8.729 4.770 -5.609 316 HA GLU 58 HA GLU 58 -9.428 2.124 -6.503 317 HB2 GLU 58 1HB GLU 58 -7.378 4.122 -7.455 318 HB3 GLU 58 2HB GLU 58 -7.624 2.550 -8.204 319 HG2 GLU 58 1HG GLU 58 -9.706 4.707 -7.944 320 HG3 GLU 58 2HG GLU 58 -8.787 4.332 -9.401 321 H ALA 59 H ALA 59 -6.955 3.584 -4.559 322 HA ALA 59 HA ALA 59 -4.937 1.665 -4.750 323 HB1 ALA 59 1HB ALA 59 -4.652 3.838 -3.646 324 HB2 ALA 59 2HB ALA 59 -4.143 2.504 -2.612 325 HB3 ALA 59 3HB ALA 59 -5.693 3.297 -2.329 326 H ILE 60 H ILE 60 -7.620 1.862 -2.419 327 HA ILE 60 HA ILE 60 -6.853 -0.535 -1.087 328 HB ILE 60 HB ILE 60 -9.661 0.513 -1.004 329 HG12 ILE 60 1HG1 ILE 60 -8.303 2.520 -0.809 330 HG13 ILE 60 2HG1 ILE 60 -8.957 2.106 0.770 331 HG21 ILE 60 1HG2 ILE 60 -7.829 -0.704 1.060 332 HG22 ILE 60 2HG2 ILE 60 -9.142 -1.521 0.214 333 HG23 ILE 60 3HG2 ILE 60 -9.500 -0.208 1.336 334 HD11 ILE 60 1HD1 ILE 60 -6.153 1.613 -0.194 335 HD12 ILE 60 2HD1 ILE 60 -6.795 1.103 1.366 336 HD13 ILE 60 3HD1 ILE 60 -6.674 2.820 0.984 337 H ARG 61 H ARG 61 -9.085 0.241 -3.679 338 HA ARG 61 HA ARG 61 -10.403 -2.273 -3.732 339 HB2 ARG 61 1HB ARG 61 -11.259 -0.096 -4.705 340 HB3 ARG 61 2HB ARG 61 -10.128 -0.331 -6.030 341 HG2 ARG 61 1HG ARG 61 -11.235 -2.385 -6.659 342 HG3 ARG 61 2HG ARG 61 -12.314 -2.255 -5.269 343 HD2 ARG 61 1HD ARG 61 -13.495 -1.514 -7.218 344 HD3 ARG 61 2HD ARG 61 -13.166 -0.118 -6.199 345 HE ARG 61 HE ARG 61 -11.534 0.611 -7.771 346 HH11 ARG 61 1HH1 ARG 61 -13.279 -2.244 -8.807 347 HH12 ARG 61 2HH1 ARG 61 -12.987 -1.968 -10.493 348 HH21 ARG 61 1HH2 ARG 61 -11.130 0.972 -10.002 349 HH22 ARG 61 2HH2 ARG 61 -11.768 -0.152 -11.172 350 H LEU 62 H LEU 62 -7.495 -1.012 -5.187 351 HA LEU 62 HA LEU 62 -7.091 -3.155 -7.033 352 HB2 LEU 62 1HB LEU 62 -6.066 -0.748 -6.938 353 HB3 LEU 62 2HB LEU 62 -4.893 -1.476 -5.872 354 HG LEU 62 HG LEU 62 -3.984 -1.333 -8.095 355 HD11 LEU 62 1HD1 LEU 62 -3.409 -3.648 -8.553 356 HD12 LEU 62 2HD1 LEU 62 -4.684 -4.182 -7.459 357 HD13 LEU 62 3HD1 LEU 62 -3.308 -3.274 -6.833 358 HD21 LEU 62 1HD2 LEU 62 -4.989 -2.482 -9.997 359 HD22 LEU 62 2HD2 LEU 62 -6.067 -1.247 -9.345 360 HD23 LEU 62 3HD2 LEU 62 -6.361 -2.951 -8.992 361 H ALA 63 H ALA 63 -5.953 -2.398 -3.766 362 HA ALA 63 HA ALA 63 -4.173 -4.505 -3.400 363 HB1 ALA 63 1HB ALA 63 -5.956 -3.211 -1.342 364 HB2 ALA 63 2HB ALA 63 -4.372 -2.628 -1.855 365 HB3 ALA 63 3HB ALA 63 -4.512 -4.168 -1.008 366 H GLN 64 H GLN 64 -7.666 -4.377 -2.785 367 HA GLN 64 HA GLN 64 -7.947 -6.968 -1.748 368 HB2 GLN 64 1HB GLN 64 -9.713 -5.289 -1.559 369 HB3 GLN 64 2HB GLN 64 -9.938 -5.305 -3.303 370 HG2 GLN 64 1HG GLN 64 -10.637 -7.648 -3.184 371 HG3 GLN 64 2HG GLN 64 -10.435 -7.612 -1.435 372 HE21 GLN 64 1HE2 GLN 64 -12.792 -8.141 -3.080 373 HE22 GLN 64 2HE2 GLN 64 -13.991 -7.008 -2.563 374 H GLU 65 H GLU 65 -7.926 -5.760 -5.051 375 HA GLU 65 HA GLU 65 -8.800 -8.091 -6.355 376 HB2 GLU 65 1HB GLU 65 -8.677 -5.889 -7.448 377 HB3 GLU 65 2HB GLU 65 -6.922 -5.944 -7.359 378 HG2 GLU 65 1HG GLU 65 -6.892 -7.883 -8.823 379 HG3 GLU 65 2HG GLU 65 -8.653 -7.869 -8.889 380 H ILE 66 H ILE 66 -5.492 -6.929 -5.645 381 HA ILE 66 HA ILE 66 -4.202 -9.153 -6.796 382 HB ILE 66 HB ILE 66 -3.194 -7.403 -4.552 383 HG12 ILE 66 1HG1 ILE 66 -2.900 -7.157 -7.553 384 HG13 ILE 66 2HG1 ILE 66 -3.852 -6.096 -6.518 385 HG21 ILE 66 1HG2 ILE 66 -1.907 -9.445 -4.758 386 HG22 ILE 66 2HG2 ILE 66 -0.966 -8.086 -5.373 387 HG23 ILE 66 3HG2 ILE 66 -1.746 -9.199 -6.495 388 HD11 ILE 66 1HD1 ILE 66 -0.864 -6.424 -6.467 389 HD12 ILE 66 2HD1 ILE 66 -1.801 -5.392 -5.386 390 HD13 ILE 66 3HD1 ILE 66 -1.764 -5.054 -7.117 391 H ALA 67 H ALA 67 -5.311 -8.531 -3.490 392 HA ALA 67 HA ALA 67 -4.118 -10.830 -2.349 393 HB1 ALA 67 1HB ALA 67 -6.517 -9.299 -1.359 394 HB2 ALA 67 2HB ALA 67 -4.836 -8.871 -1.043 395 HB3 ALA 67 3HB ALA 67 -5.493 -10.382 -0.416 396 H GLU 68 H GLU 68 -7.243 -10.249 -3.848 397 HA GLU 68 HA GLU 68 -8.383 -12.772 -3.173 398 HB2 GLU 68 1HB GLU 68 -9.804 -10.906 -3.780 399 HB3 GLU 68 2HB GLU 68 -9.036 -10.782 -5.355 400 HG2 GLU 68 1HG GLU 68 -11.223 -11.811 -5.529 401 HG3 GLU 68 2HG GLU 68 -9.957 -12.947 -5.986 402 H LYS 69 H LYS 69 -6.473 -11.559 -5.855 403 HA LYS 69 HA LYS 69 -6.783 -14.086 -7.290 404 HB2 LYS 69 1HB LYS 69 -5.499 -11.486 -8.146 405 HB3 LYS 69 2HB LYS 69 -5.738 -12.892 -9.171 406 HG2 LYS 69 1HG LYS 69 -7.979 -11.393 -7.844 407 HG3 LYS 69 2HG LYS 69 -7.413 -11.056 -9.475 408 HD2 LYS 69 1HD LYS 69 -8.298 -13.806 -8.639 409 HD3 LYS 69 2HD LYS 69 -9.450 -12.594 -9.186 410 HE2 LYS 69 1HE LYS 69 -8.936 -13.907 -11.078 411 HE3 LYS 69 2HE LYS 69 -8.060 -12.394 -11.285 412 HZ1 LYS 69 1HZ LYS 69 -6.036 -13.451 -10.680 413 HZ2 LYS 69 2HZ LYS 69 -6.780 -14.434 -11.833 414 HZ3 LYS 69 3HZ LYS 69 -6.829 -14.867 -10.201 415 H ALA 70 H ALA 70 -5.054 -13.563 -4.838 416 HA ALA 70 HA ALA 70 -2.422 -14.228 -5.944 417 HB1 ALA 70 1HB ALA 70 -2.510 -12.426 -4.278 418 HB2 ALA 70 2HB ALA 70 -1.548 -13.796 -3.721 419 HB3 ALA 70 3HB ALA 70 -3.183 -13.559 -3.106 420 HA PRO 71 HA PRO 71 -3.289 -18.445 -4.678 421 HB2 PRO 71 1HB PRO 71 -1.171 -19.573 -5.902 422 HB3 PRO 71 2HB PRO 71 -2.601 -19.048 -6.799 423 HG2 PRO 71 1HG PRO 71 0.057 -17.723 -6.523 424 HG3 PRO 71 2HG PRO 71 -1.007 -17.823 -7.936 425 HD2 PRO 71 1HD PRO 71 -0.801 -15.633 -6.258 426 HD3 PRO 71 2HD PRO 71 -2.186 -15.976 -7.311 427 H GLY 72 H GLY 72 -2.915 -18.549 -2.522 428 HA2 GLY 72 1HA GLY 72 -1.381 -19.762 -1.012 429 HA3 GLY 72 2HA GLY 72 -0.090 -18.768 -1.676 430 HA PRO 73 HA PRO 73 -1.697 -16.744 2.236 431 HB2 PRO 73 1HB PRO 73 0.779 -16.404 3.348 432 HB3 PRO 73 2HB PRO 73 -0.236 -17.821 3.639 433 HG2 PRO 73 1HG PRO 73 2.071 -17.493 1.766 434 HG3 PRO 73 2HG PRO 73 1.654 -18.872 2.800 435 HD2 PRO 73 1HD PRO 73 1.137 -18.833 0.144 436 HD3 PRO 73 2HD PRO 73 0.094 -19.679 1.305 437 H VAL 74 H VAL 74 -2.130 -14.672 1.844 438 HA VAL 74 HA VAL 74 -0.032 -12.982 0.673 439 HB VAL 74 HB VAL 74 -1.578 -13.619 -1.112 440 HG11 VAL 74 1HG1 VAL 74 -3.563 -14.089 0.187 441 HG12 VAL 74 2HG1 VAL 74 -3.929 -12.892 -1.056 442 HG13 VAL 74 3HG1 VAL 74 -3.716 -12.386 0.620 443 HG21 VAL 74 1HG2 VAL 74 -0.570 -11.403 -1.200 444 HG22 VAL 74 2HG2 VAL 74 -1.916 -10.740 -0.273 445 HG23 VAL 74 3HG2 VAL 74 -2.192 -11.380 -1.892 446 H LYS 75 H LYS 75 0.067 -10.903 1.372 447 HA LYS 75 HA LYS 75 -2.070 -9.774 2.960 448 HB2 LYS 75 1HB LYS 75 -0.569 -9.211 4.849 449 HB3 LYS 75 2HB LYS 75 -0.818 -10.939 4.675 450 HG2 LYS 75 1HG LYS 75 1.381 -10.981 3.412 451 HG3 LYS 75 2HG LYS 75 1.626 -9.335 3.997 452 HD2 LYS 75 1HD LYS 75 1.294 -11.836 5.648 453 HD3 LYS 75 2HD LYS 75 2.743 -10.844 5.491 454 HE2 LYS 75 1HE LYS 75 0.136 -10.034 6.772 455 HE3 LYS 75 2HE LYS 75 1.643 -10.404 7.607 456 HZ1 LYS 75 1HZ LYS 75 2.662 -8.499 6.523 457 HZ2 LYS 75 2HZ LYS 75 1.310 -8.030 7.416 458 HZ3 LYS 75 3HZ LYS 75 1.213 -8.141 5.734 459 H VAL 76 H VAL 76 -2.243 -7.639 2.565 460 HA VAL 76 HA VAL 76 -0.159 -6.524 0.799 461 HB VAL 76 HB VAL 76 -3.068 -5.723 0.830 462 HG11 VAL 76 1HG1 VAL 76 -2.550 -4.814 -1.399 463 HG12 VAL 76 2HG1 VAL 76 -0.863 -5.277 -1.178 464 HG13 VAL 76 3HG1 VAL 76 -1.590 -4.061 -0.125 465 HG21 VAL 76 1HG2 VAL 76 -2.960 -8.070 0.242 466 HG22 VAL 76 2HG2 VAL 76 -1.710 -7.739 -0.956 467 HG23 VAL 76 3HG2 VAL 76 -3.339 -7.107 -1.187 468 H LEU 77 H LEU 77 0.659 -4.547 1.163 469 HA LEU 77 HA LEU 77 -0.437 -2.976 3.408 470 HB2 LEU 77 1HB LEU 77 1.790 -3.714 3.932 471 HB3 LEU 77 2HB LEU 77 2.384 -3.217 2.361 472 HG LEU 77 HG LEU 77 1.962 -0.849 2.988 473 HD11 LEU 77 1HD1 LEU 77 0.217 -1.203 4.644 474 HD12 LEU 77 2HD1 LEU 77 1.563 -0.295 5.330 475 HD13 LEU 77 3HD1 LEU 77 1.374 -2.007 5.706 476 HD21 LEU 77 1HD2 LEU 77 4.179 -1.817 3.235 477 HD22 LEU 77 2HD2 LEU 77 3.763 -2.388 4.852 478 HD23 LEU 77 3HD2 LEU 77 3.853 -0.657 4.524 479 H VAL 78 H VAL 78 -1.316 -1.070 2.867 480 HA VAL 78 HA VAL 78 -0.690 0.017 0.199 481 HB VAL 78 HB VAL 78 -3.182 0.470 1.853 482 HG11 VAL 78 1HG1 VAL 78 -2.640 2.389 0.458 483 HG12 VAL 78 2HG1 VAL 78 -4.057 1.549 -0.172 484 HG13 VAL 78 3HG1 VAL 78 -2.491 1.341 -0.952 485 HG21 VAL 78 1HG2 VAL 78 -3.069 -1.807 0.984 486 HG22 VAL 78 2HG2 VAL 78 -2.780 -1.180 -0.638 487 HG23 VAL 78 3HG2 VAL 78 -4.321 -0.876 0.162 488 H LEU 79 H LEU 79 0.504 1.760 0.187 489 HA LEU 79 HA LEU 79 0.697 3.423 2.585 490 HB2 LEU 79 1HB LEU 79 2.337 3.357 0.048 491 HB3 LEU 79 2HB LEU 79 2.592 4.505 1.345 492 HG LEU 79 HG LEU 79 4.254 2.841 1.546 493 HD11 LEU 79 1HD1 LEU 79 3.271 3.551 3.660 494 HD12 LEU 79 2HD1 LEU 79 3.820 1.878 3.741 495 HD13 LEU 79 3HD1 LEU 79 2.102 2.234 3.569 496 HD21 LEU 79 1HD2 LEU 79 3.270 1.098 0.191 497 HD22 LEU 79 2HD2 LEU 79 2.058 0.782 1.432 498 HD23 LEU 79 3HD2 LEU 79 3.759 0.448 1.755 499 H ILE 80 H ILE 80 -1.046 4.781 2.582 500 HA ILE 80 HA ILE 80 -1.693 6.239 0.138 501 HB ILE 80 HB ILE 80 -3.558 7.224 1.416 502 HG12 ILE 80 1HG1 ILE 80 -2.620 5.429 3.670 503 HG13 ILE 80 2HG1 ILE 80 -2.503 7.186 3.651 504 HG21 ILE 80 1HG2 ILE 80 -3.396 4.217 1.560 505 HG22 ILE 80 2HG2 ILE 80 -3.918 5.174 0.174 506 HG23 ILE 80 3HG2 ILE 80 -4.879 5.167 1.653 507 HD11 ILE 80 1HD1 ILE 80 -4.947 7.333 3.574 508 HD12 ILE 80 2HD1 ILE 80 -4.372 6.470 4.999 509 HD13 ILE 80 3HD1 ILE 80 -5.043 5.573 3.638 510 H THR 81 H THR 81 -1.335 8.419 -0.138 511 HA THR 81 HA THR 81 0.282 9.691 1.959 512 HB THR 81 HB THR 81 1.698 8.855 0.099 513 HG1 THR 81 HG1 THR 81 2.399 10.684 1.244 514 HG21 THR 81 1HG2 THR 81 0.199 10.870 -1.572 515 HG22 THR 81 2HG2 THR 81 0.082 9.118 -1.725 516 HG23 THR 81 3HG2 THR 81 1.602 9.934 -2.082 517 H GLY 82 H GLY 82 0.259 11.994 1.987 518 HA2 GLY 82 1HA GLY 82 -0.609 14.107 1.559 519 HA3 GLY 82 2HA GLY 82 -1.655 13.403 0.334 520 H SER 83 H SER 83 -2.870 15.201 1.756 521 HA SER 83 HA SER 83 -4.191 13.953 4.023 522 HB2 SER 83 1HB SER 83 -4.656 16.670 2.763 523 HB3 SER 83 2HB SER 83 -5.297 16.113 4.311 524 HG SER 83 HG SER 83 -2.632 16.717 3.601 525 H ALA 84 H ALA 84 -5.503 12.374 3.327 526 HA ALA 84 HA ALA 84 -6.975 12.410 0.925 527 HB1 ALA 84 1HB ALA 84 -7.444 10.763 3.409 528 HB2 ALA 84 2HB ALA 84 -6.372 10.337 2.076 529 HB3 ALA 84 3HB ALA 84 -8.112 10.440 1.810 530 H ASP 85 H ASP 85 -8.637 13.623 0.455 531 HA ASP 85 HA ASP 85 -10.042 15.188 2.338 532 HB2 ASP 85 1HB ASP 85 -10.754 14.493 -0.520 533 HB3 ASP 85 2HB ASP 85 -11.522 15.756 0.434 534 HA PRO 86 HA PRO 86 -13.099 12.800 4.275 535 HB2 PRO 86 1HB PRO 86 -15.106 14.520 2.869 536 HB3 PRO 86 2HB PRO 86 -15.032 14.041 4.570 537 HG2 PRO 86 1HG PRO 86 -14.221 16.456 3.805 538 HG3 PRO 86 2HG PRO 86 -13.355 15.558 5.062 539 HD2 PRO 86 1HD PRO 86 -12.569 16.117 2.262 540 HD3 PRO 86 2HD PRO 86 -11.554 15.822 3.685 541 H ASP 87 H ASP 87 -14.062 13.582 0.934 542 HA ASP 87 HA ASP 87 -15.823 11.423 0.598 543 HB2 ASP 87 1HB ASP 87 -15.407 11.834 -1.887 544 HB3 ASP 87 2HB ASP 87 -16.027 13.188 -0.954 545 H GLU 88 H GLU 88 -12.406 11.741 -0.346 546 HA GLU 88 HA GLU 88 -12.282 9.071 -1.362 547 HB2 GLU 88 1HB GLU 88 -10.072 11.012 -0.669 548 HB3 GLU 88 2HB GLU 88 -9.854 9.498 -1.537 549 HG2 GLU 88 1HG GLU 88 -11.336 10.326 -3.311 550 HG3 GLU 88 2HG GLU 88 -11.475 11.859 -2.452 551 H LYS 89 H LYS 89 -11.488 10.625 1.686 552 HA LYS 89 HA LYS 89 -10.024 8.511 2.833 553 HB2 LYS 89 1HB LYS 89 -10.034 10.757 3.796 554 HB3 LYS 89 2HB LYS 89 -11.744 10.603 4.179 555 HG2 LYS 89 1HG LYS 89 -11.208 8.739 5.697 556 HG3 LYS 89 2HG LYS 89 -9.495 8.979 5.350 557 HD2 LYS 89 1HD LYS 89 -9.595 11.221 6.268 558 HD3 LYS 89 2HD LYS 89 -11.331 11.057 6.540 559 HE2 LYS 89 1HE LYS 89 -10.143 10.705 8.615 560 HE3 LYS 89 2HE LYS 89 -10.888 9.196 8.090 561 HZ1 LYS 89 1HZ LYS 89 -8.758 8.458 7.256 562 HZ2 LYS 89 2HZ LYS 89 -8.621 8.875 8.888 563 HZ3 LYS 89 3HZ LYS 89 -8.035 9.922 7.697 564 H THR 90 H THR 90 -13.483 9.318 3.036 565 HA THR 90 HA THR 90 -14.197 7.119 4.654 566 HB THR 90 HB THR 90 -16.001 8.505 2.663 567 HG1 THR 90 HG1 THR 90 -15.286 10.186 3.842 568 HG21 THR 90 1HG2 THR 90 -16.560 7.159 5.311 569 HG22 THR 90 2HG2 THR 90 -16.934 6.499 3.718 570 HG23 THR 90 3HG2 THR 90 -17.756 7.954 4.285 571 H LYS 91 H LYS 91 -13.980 7.554 1.160 572 HA LYS 91 HA LYS 91 -15.166 5.091 0.438 573 HB2 LYS 91 1HB LYS 91 -14.774 7.060 -1.087 574 HB3 LYS 91 2HB LYS 91 -13.074 6.618 -1.118 575 HG2 LYS 91 1HG LYS 91 -14.154 5.788 -3.095 576 HG3 LYS 91 2HG LYS 91 -13.695 4.426 -2.070 577 HD2 LYS 91 1HD LYS 91 -15.991 4.285 -1.234 578 HD3 LYS 91 2HD LYS 91 -16.446 5.656 -2.246 579 HE2 LYS 91 1HE LYS 91 -15.371 3.033 -3.273 580 HE3 LYS 91 2HE LYS 91 -17.078 3.464 -3.214 581 HZ1 LYS 91 1HZ LYS 91 -16.117 3.838 -5.403 582 HZ2 LYS 91 2HZ LYS 91 -14.998 4.919 -4.752 583 HZ3 LYS 91 3HZ LYS 91 -16.645 5.288 -4.720 584 H ALA 92 H ALA 92 -11.858 6.059 1.175 585 HA ALA 92 HA ALA 92 -10.662 3.566 0.505 586 HB1 ALA 92 1HB ALA 92 -9.668 5.755 2.331 587 HB2 ALA 92 2HB ALA 92 -9.344 5.617 0.604 588 HB3 ALA 92 3HB ALA 92 -8.705 4.409 1.720 589 H LYS 93 H LYS 93 -11.915 5.019 3.460 590 HA LYS 93 HA LYS 93 -11.083 2.983 5.212 591 HB2 LYS 93 1HB LYS 93 -11.737 5.177 6.034 592 HB3 LYS 93 2HB LYS 93 -13.380 4.930 5.457 593 HG2 LYS 93 1HG LYS 93 -13.230 4.610 7.862 594 HG3 LYS 93 2HG LYS 93 -13.682 3.110 7.050 595 HD2 LYS 93 1HD LYS 93 -11.332 2.365 7.179 596 HD3 LYS 93 2HD LYS 93 -10.929 3.845 8.053 597 HE2 LYS 93 1HE LYS 93 -12.878 1.729 8.959 598 HE3 LYS 93 2HE LYS 93 -11.242 1.951 9.573 599 HZ1 LYS 93 1HZ LYS 93 -13.451 3.922 9.784 600 HZ2 LYS 93 2HZ LYS 93 -11.880 4.142 10.367 601 HZ3 LYS 93 3HZ LYS 93 -12.871 2.948 11.037 602 H LYS 94 H LYS 94 -14.139 3.490 3.474 603 HA LYS 94 HA LYS 94 -15.461 1.237 4.548 604 HB2 LYS 94 1HB LYS 94 -16.615 3.090 3.372 605 HB3 LYS 94 2HB LYS 94 -15.898 2.553 1.860 606 HG2 LYS 94 1HG LYS 94 -17.111 0.482 1.955 607 HG3 LYS 94 2HG LYS 94 -17.726 0.873 3.561 608 HD2 LYS 94 1HD LYS 94 -19.447 1.299 1.932 609 HD3 LYS 94 2HD LYS 94 -18.885 2.836 2.590 610 HE2 LYS 94 1HE LYS 94 -17.440 3.113 0.606 611 HE3 LYS 94 2HE LYS 94 -18.102 1.618 -0.055 612 HZ1 LYS 94 1HZ LYS 94 -19.626 4.088 0.557 613 HZ2 LYS 94 2HZ LYS 94 -20.303 2.649 -0.013 614 HZ3 LYS 94 3HZ LYS 94 -19.226 3.517 -0.983 615 H ALA 95 H ALA 95 -13.497 1.689 1.640 616 HA ALA 95 HA ALA 95 -13.768 -0.931 0.633 617 HB1 ALA 95 1HB ALA 95 -12.927 0.913 -0.725 618 HB2 ALA 95 2HB ALA 95 -11.782 -0.428 -0.700 619 HB3 ALA 95 3HB ALA 95 -11.483 1.008 0.283 620 H ALA 96 H ALA 96 -11.443 0.543 2.859 621 HA ALA 96 HA ALA 96 -9.765 -1.710 3.149 622 HB1 ALA 96 1HB ALA 96 -9.072 0.540 3.807 623 HB2 ALA 96 2HB ALA 96 -8.914 -0.595 5.147 624 HB3 ALA 96 3HB ALA 96 -10.269 0.534 5.101 625 H GLU 97 H GLU 97 -12.699 -0.691 4.795 626 HA GLU 97 HA GLU 97 -12.665 -2.587 6.872 627 HB2 GLU 97 1HB GLU 97 -14.186 -0.612 6.755 628 HB3 GLU 97 2HB GLU 97 -15.087 -1.420 5.480 629 HG2 GLU 97 1HG GLU 97 -15.618 -3.242 7.045 630 HG3 GLU 97 2HG GLU 97 -14.769 -2.368 8.318 631 H GLU 98 H GLU 98 -13.948 -2.686 3.588 632 HA GLU 98 HA GLU 98 -15.008 -5.328 3.793 633 HB2 GLU 98 1HB GLU 98 -14.280 -3.699 1.351 634 HB3 GLU 98 2HB GLU 98 -15.230 -5.178 1.342 635 HG2 GLU 98 1HG GLU 98 -16.009 -2.612 2.707 636 HG3 GLU 98 2HG GLU 98 -16.619 -3.176 1.152 637 H ALA 99 H ALA 99 -12.070 -3.951 2.369 638 HA ALA 99 HA ALA 99 -11.129 -6.426 1.331 639 HB1 ALA 99 1HB ALA 99 -9.630 -3.853 1.776 640 HB2 ALA 99 2HB ALA 99 -10.546 -4.277 0.330 641 HB3 ALA 99 3HB ALA 99 -9.109 -5.201 0.766 642 H ARG 100 H ARG 100 -11.062 -5.116 4.453 643 HA ARG 100 HA ARG 100 -8.634 -5.893 5.522 644 HB2 ARG 100 1HB ARG 100 -10.325 -4.596 6.739 645 HB3 ARG 100 2HB ARG 100 -11.355 -6.016 6.832 646 HG2 ARG 100 1HG ARG 100 -9.636 -7.144 8.190 647 HG3 ARG 100 2HG ARG 100 -8.664 -5.670 8.141 648 HD2 ARG 100 1HD ARG 100 -10.463 -4.440 9.236 649 HD3 ARG 100 2HD ARG 100 -11.453 -5.896 9.260 650 HE ARG 100 HE ARG 100 -9.026 -6.422 10.569 651 HH11 ARG 100 1HH1 ARG 100 -11.950 -4.551 10.980 652 HH12 ARG 100 2HH1 ARG 100 -11.901 -4.604 12.713 653 HH21 ARG 100 1HH2 ARG 100 -8.948 -6.495 12.856 654 HH22 ARG 100 2HH2 ARG 100 -10.192 -5.713 13.781 655 H LYS 101 H LYS 101 -11.364 -7.855 4.626 656 HA LYS 101 HA LYS 101 -10.743 -10.197 6.058 657 HB2 LYS 101 1HB LYS 101 -12.916 -9.683 4.911 658 HB3 LYS 101 2HB LYS 101 -12.126 -10.011 3.378 659 HG2 LYS 101 1HG LYS 101 -13.058 -12.040 3.722 660 HG3 LYS 101 2HG LYS 101 -11.552 -12.296 4.598 661 HD2 LYS 101 1HD LYS 101 -14.188 -11.470 5.817 662 HD3 LYS 101 2HD LYS 101 -13.491 -13.086 5.871 663 HE2 LYS 101 1HE LYS 101 -11.567 -12.191 7.119 664 HE3 LYS 101 2HE LYS 101 -12.315 -10.595 7.095 665 HZ1 LYS 101 1HZ LYS 101 -14.199 -11.530 8.321 666 HZ2 LYS 101 2HZ LYS 101 -12.750 -11.675 9.180 667 HZ3 LYS 101 3HZ LYS 101 -13.409 -13.024 8.401 668 H TRP 102 H TRP 102 -9.178 -8.753 3.395 669 HA TRP 102 HA TRP 102 -7.932 -11.290 2.600 670 HB2 TRP 102 1HB TRP 102 -8.119 -8.608 1.237 671 HB3 TRP 102 2HB TRP 102 -7.028 -9.875 0.682 672 HD1 TRP 102 HD1 TRP 102 -8.050 -11.821 -0.734 673 HE1 TRP 102 HE1 TRP 102 -10.390 -12.267 -1.726 674 HE3 TRP 102 HE3 TRP 102 -10.703 -8.269 1.806 675 HZ2 TRP 102 HZ2 TRP 102 -12.994 -11.254 -1.455 676 HZ3 TRP 102 HZ3 TRP 102 -13.117 -8.074 1.378 677 HH2 TRP 102 HH2 TRP 102 -14.239 -9.539 -0.219 678 H ASN 103 H ASN 103 -7.390 -9.241 4.903 679 HA ASN 103 HA ASN 103 -5.622 -8.593 6.157 680 HB2 ASN 103 1HB ASN 103 -4.891 -10.975 5.684 681 HB3 ASN 103 2HB ASN 103 -3.885 -10.329 4.394 682 HD21 ASN 103 1HD2 ASN 103 -3.089 -11.775 6.756 683 HD22 ASN 103 2HD2 ASN 103 -2.016 -10.745 7.639 684 H VAL 104 H VAL 104 -6.203 -6.602 4.797 685 HA VAL 104 HA VAL 104 -3.711 -5.677 3.540 686 HB VAL 104 HB VAL 104 -5.527 -5.707 1.899 687 HG11 VAL 104 1HG1 VAL 104 -7.430 -5.488 3.380 688 HG12 VAL 104 2HG1 VAL 104 -7.468 -4.234 2.140 689 HG13 VAL 104 3HG1 VAL 104 -6.953 -3.837 3.780 690 HG21 VAL 104 1HG2 VAL 104 -5.396 -3.377 1.161 691 HG22 VAL 104 2HG2 VAL 104 -3.829 -3.974 1.709 692 HG23 VAL 104 3HG2 VAL 104 -4.780 -2.912 2.747 693 H ARG 105 H ARG 105 -2.776 -3.883 4.344 694 HA ARG 105 HA ARG 105 -4.173 -2.547 6.566 695 HB2 ARG 105 1HB ARG 105 -2.326 -4.000 7.337 696 HB3 ARG 105 2HB ARG 105 -1.210 -3.098 6.324 697 HG2 ARG 105 1HG ARG 105 -1.071 -2.421 8.666 698 HG3 ARG 105 2HG ARG 105 -1.603 -1.091 7.634 699 HD2 ARG 105 1HD ARG 105 -2.867 -1.263 9.762 700 HD3 ARG 105 2HD ARG 105 -3.880 -1.391 8.327 701 HE ARG 105 HE ARG 105 -3.058 -3.951 9.278 702 HH11 ARG 105 1HH1 ARG 105 -5.330 -1.353 9.855 703 HH12 ARG 105 2HH1 ARG 105 -6.520 -2.384 10.573 704 HH21 ARG 105 1HH2 ARG 105 -4.629 -5.315 10.222 705 HH22 ARG 105 2HH2 ARG 105 -6.124 -4.635 10.787 706 H VAL 106 H VAL 106 -4.583 -0.488 6.167 707 HA VAL 106 HA VAL 106 -3.010 0.913 4.139 708 HB VAL 106 HB VAL 106 -4.752 2.623 4.167 709 HG11 VAL 106 1HG1 VAL 106 -6.651 1.250 3.399 710 HG12 VAL 106 2HG1 VAL 106 -5.848 -0.182 4.045 711 HG13 VAL 106 3HG1 VAL 106 -5.108 0.725 2.725 712 HG21 VAL 106 1HG2 VAL 106 -6.075 0.982 6.329 713 HG22 VAL 106 2HG2 VAL 106 -6.760 2.400 5.539 714 HG23 VAL 106 3HG2 VAL 106 -5.324 2.561 6.549 715 H ARG 107 H ARG 107 -1.532 2.412 4.638 716 HA ARG 107 HA ARG 107 -1.671 3.703 7.269 717 HB2 ARG 107 1HB ARG 107 0.843 2.488 6.105 718 HB3 ARG 107 2HB ARG 107 0.770 3.468 7.561 719 HG2 ARG 107 1HG ARG 107 -1.008 1.608 8.243 720 HG3 ARG 107 2HG ARG 107 -0.037 0.657 7.119 721 HD2 ARG 107 1HD ARG 107 0.850 0.358 9.323 722 HD3 ARG 107 2HD ARG 107 1.989 1.334 8.398 723 HE ARG 107 HE ARG 107 0.673 3.261 9.579 724 HH11 ARG 107 1HH1 ARG 107 1.631 0.192 10.969 725 HH12 ARG 107 2HH1 ARG 107 1.808 0.829 12.570 726 HH21 ARG 107 1HH2 ARG 107 0.869 4.092 11.696 727 HH22 ARG 107 2HH2 ARG 107 1.353 3.044 12.990 728 H THR 108 H THR 108 -0.581 5.741 7.372 729 HA THR 108 HA THR 108 -0.693 7.060 4.765 730 HB THR 108 HB THR 108 -0.624 8.352 7.496 731 HG1 THR 108 HG1 THR 108 -2.483 6.859 6.908 732 HG21 THR 108 1HG2 THR 108 -0.016 9.827 5.634 733 HG22 THR 108 2HG2 THR 108 -1.579 10.274 6.315 734 HG23 THR 108 3HG2 THR 108 -1.503 9.385 4.795 735 H VAL 109 H VAL 109 1.040 7.866 3.796 736 HA VAL 109 HA VAL 109 3.510 8.163 5.370 737 HB VAL 109 HB VAL 109 4.715 7.965 3.155 738 HG11 VAL 109 1HG1 VAL 109 4.696 6.140 4.730 739 HG12 VAL 109 2HG1 VAL 109 4.535 5.504 3.093 740 HG13 VAL 109 3HG1 VAL 109 3.121 5.606 4.143 741 HG21 VAL 109 1HG2 VAL 109 3.539 6.822 1.329 742 HG22 VAL 109 2HG2 VAL 109 2.840 8.407 1.664 743 HG23 VAL 109 3HG2 VAL 109 2.027 6.947 2.229 744 H THR 110 H THR 110 3.758 10.222 5.890 745 HA THR 110 HA THR 110 2.849 12.345 4.150 746 HB THR 110 HB THR 110 3.867 13.817 5.956 747 HG1 THR 110 HG1 THR 110 4.849 12.896 7.612 748 HG21 THR 110 1HG2 THR 110 1.769 11.799 6.761 749 HG22 THR 110 2HG2 THR 110 1.486 13.317 5.910 750 HG23 THR 110 3HG2 THR 110 2.071 13.335 7.573 751 H SER 111 H SER 111 5.894 10.989 5.269 752 HA SER 111 HA SER 111 7.284 12.495 3.158 753 HB2 SER 111 1HB SER 111 8.524 11.695 5.798 754 HB3 SER 111 2HB SER 111 9.167 12.815 4.596 755 HG SER 111 HG SER 111 7.245 14.124 5.070 756 HA PRO 112 HA PRO 112 8.927 8.603 1.677 757 HB2 PRO 112 1HB PRO 112 11.646 9.788 1.921 758 HB3 PRO 112 2HB PRO 112 10.872 9.033 0.526 759 HG2 PRO 112 1HG PRO 112 11.150 11.670 0.634 760 HG3 PRO 112 2HG PRO 112 9.664 10.944 -0.006 761 HD2 PRO 112 1HD PRO 112 10.163 12.201 2.663 762 HD3 PRO 112 2HD PRO 112 8.730 12.301 1.618 763 H ASP 113 H ASP 113 10.437 10.146 4.440 764 HA ASP 113 HA ASP 113 11.860 8.057 5.579 765 HB2 ASP 113 1HB ASP 113 10.195 10.144 7.010 766 HB3 ASP 113 2HB ASP 113 11.470 9.177 7.739 767 H GLU 114 H GLU 114 8.425 8.696 5.555 768 HA GLU 114 HA GLU 114 7.730 6.738 7.509 769 HB2 GLU 114 1HB GLU 114 6.003 8.000 5.371 770 HB3 GLU 114 2HB GLU 114 5.433 7.150 6.802 771 HG2 GLU 114 1HG GLU 114 7.025 9.702 6.814 772 HG3 GLU 114 2HG GLU 114 5.280 9.583 7.026 773 H ALA 115 H ALA 115 7.600 6.874 3.968 774 HA ALA 115 HA ALA 115 6.552 4.336 3.502 775 HB1 ALA 115 1HB ALA 115 7.490 4.527 1.259 776 HB2 ALA 115 2HB ALA 115 8.513 5.861 1.789 777 HB3 ALA 115 3HB ALA 115 6.760 6.051 1.764 778 H LYS 116 H LYS 116 9.893 5.404 3.891 779 HA LYS 116 HA LYS 116 11.190 3.003 3.368 780 HB2 LYS 116 1HB LYS 116 12.367 5.134 3.592 781 HB3 LYS 116 2HB LYS 116 11.964 5.193 5.302 782 HG2 LYS 116 1HG LYS 116 13.317 3.209 5.704 783 HG3 LYS 116 2HG LYS 116 13.700 3.113 3.985 784 HD2 LYS 116 1HD LYS 116 14.753 5.347 4.136 785 HD3 LYS 116 2HD LYS 116 14.434 5.352 5.872 786 HE2 LYS 116 1HE LYS 116 15.829 3.377 6.150 787 HE3 LYS 116 2HE LYS 116 16.115 3.317 4.411 788 HZ1 LYS 116 1HZ LYS 116 16.959 5.496 6.242 789 HZ2 LYS 116 2HZ LYS 116 17.203 5.482 4.570 790 HZ3 LYS 116 3HZ LYS 116 17.970 4.334 5.546 791 H ARG 117 H ARG 117 9.931 4.246 6.464 792 HA ARG 117 HA ARG 117 10.966 2.028 7.925 793 HB2 ARG 117 1HB ARG 117 9.868 2.905 9.852 794 HB3 ARG 117 2HB ARG 117 10.521 4.265 8.949 795 HG2 ARG 117 1HG ARG 117 8.412 4.948 8.225 796 HG3 ARG 117 2HG ARG 117 7.673 3.398 8.628 797 HD2 ARG 117 1HD ARG 117 8.816 5.315 10.632 798 HD3 ARG 117 2HD ARG 117 7.111 5.226 10.214 799 HE ARG 117 HE ARG 117 7.952 2.673 10.973 800 HH11 ARG 117 1HH1 ARG 117 7.556 5.839 12.406 801 HH12 ARG 117 2HH1 ARG 117 7.180 5.222 13.982 802 HH21 ARG 117 1HH2 ARG 117 7.445 1.842 13.050 803 HH22 ARG 117 2HH2 ARG 117 7.121 2.956 14.352 804 H TRP 118 H TRP 118 7.783 2.778 6.531 805 HA TRP 118 HA TRP 118 6.442 0.735 7.945 806 HB2 TRP 118 1HB TRP 118 5.685 2.072 5.343 807 HB3 TRP 118 2HB TRP 118 4.637 0.980 6.238 808 HD1 TRP 118 HD1 TRP 118 4.470 4.310 5.578 809 HE1 TRP 118 HE1 TRP 118 3.737 5.798 7.541 810 HE3 TRP 118 HE3 TRP 118 5.410 1.087 9.450 811 HZ2 TRP 118 HZ2 TRP 118 3.588 5.637 10.346 812 HZ3 TRP 118 HZ3 TRP 118 4.945 1.843 11.738 813 HH2 TRP 118 HH2 TRP 118 4.049 4.070 12.179 814 H ILE 119 H ILE 119 7.848 0.864 4.701 815 HA ILE 119 HA ILE 119 7.107 -1.716 3.877 816 HB ILE 119 HB ILE 119 9.478 -0.030 3.051 817 HG12 ILE 119 1HG1 ILE 119 6.773 -0.447 1.757 818 HG13 ILE 119 2HG1 ILE 119 7.262 0.987 2.653 819 HG21 ILE 119 1HG2 ILE 119 9.538 -1.418 1.020 820 HG22 ILE 119 2HG2 ILE 119 8.314 -2.475 1.724 821 HG23 ILE 119 3HG2 ILE 119 9.905 -2.344 2.475 822 HD11 ILE 119 1HD1 ILE 119 8.507 -0.001 0.100 823 HD12 ILE 119 2HD1 ILE 119 8.982 1.442 0.994 824 HD13 ILE 119 3HD1 ILE 119 7.383 1.348 0.257 825 H LYS 120 H LYS 120 9.769 -0.553 5.826 826 HA LYS 120 HA LYS 120 11.167 -3.064 5.874 827 HB2 LYS 120 1HB LYS 120 12.354 -0.942 6.192 828 HB3 LYS 120 2HB LYS 120 11.408 -0.616 7.635 829 HG2 LYS 120 1HG LYS 120 13.565 -1.382 8.306 830 HG3 LYS 120 2HG LYS 120 12.391 -2.644 8.675 831 HD2 LYS 120 1HD LYS 120 14.382 -3.633 7.727 832 HD3 LYS 120 2HD LYS 120 13.038 -3.811 6.600 833 HE2 LYS 120 1HE LYS 120 15.121 -3.161 5.469 834 HE3 LYS 120 2HE LYS 120 13.858 -1.948 5.281 835 HZ1 LYS 120 1HZ LYS 120 16.083 -1.808 7.244 836 HZ2 LYS 120 2HZ LYS 120 14.896 -0.631 7.004 837 HZ3 LYS 120 3HZ LYS 120 16.014 -0.960 5.785 838 H GLU 121 H GLU 121 8.919 -1.353 7.986 839 HA GLU 121 HA GLU 121 9.224 -3.073 10.219 840 HB2 GLU 121 1HB GLU 121 8.400 -0.700 10.256 841 HB3 GLU 121 2HB GLU 121 6.882 -1.278 9.586 842 HG2 GLU 121 1HG GLU 121 6.395 -2.529 11.535 843 HG3 GLU 121 2HG GLU 121 8.023 -2.296 12.168 844 H PHE 122 H PHE 122 7.118 -3.132 7.424 845 HA PHE 122 HA PHE 122 5.446 -5.195 8.567 846 HB2 PHE 122 1HB PHE 122 5.489 -3.741 5.951 847 HB3 PHE 122 2HB PHE 122 4.556 -5.225 6.114 848 HD1 PHE 122 HD1 PHE 122 5.056 -1.920 7.763 849 HD2 PHE 122 HD2 PHE 122 2.401 -5.130 6.904 850 HE1 PHE 122 HE1 PHE 122 3.209 -0.659 8.784 851 HE2 PHE 122 HE2 PHE 122 0.549 -3.875 7.922 852 HZ PHE 122 HZ PHE 122 0.951 -1.639 8.863 853 H SER 123 H SER 123 8.086 -5.000 6.233 854 HA SER 123 HA SER 123 7.848 -7.684 5.335 855 HB2 SER 123 1HB SER 123 10.186 -7.318 4.468 856 HB3 SER 123 2HB SER 123 9.010 -6.120 3.935 857 HG SER 123 HG SER 123 10.056 -4.620 4.979 858 H GLU 124 H GLU 124 9.720 -6.116 7.899 859 HA GLU 124 HA GLU 124 10.937 -6.957 9.630 860 HB2 GLU 124 1HB GLU 124 8.909 -9.159 9.276 861 HB3 GLU 124 2HB GLU 124 10.043 -9.101 10.621 862 HG2 GLU 124 1HG GLU 124 8.163 -6.849 9.998 863 HG3 GLU 124 2HG GLU 124 7.718 -8.197 11.039 864 H GLU 125 H GLU 125 12.321 -7.169 7.440 865 HA GLU 125 HA GLU 125 13.710 -9.729 7.742 866 HB2 GLU 125 1HB GLU 125 12.349 -9.791 5.666 867 HB3 GLU 125 2HB GLU 125 13.161 -8.340 5.105 868 HG2 GLU 125 1HG GLU 125 14.092 -10.267 4.017 869 HG3 GLU 125 2HG GLU 125 15.293 -9.556 5.093
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:43:39 AM GMT (wattos1)