NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
13604 | 1v81 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -3.963 -6.940 11.485 2 HA MET 1 HA MET 1 -1.842 -7.531 11.233 3 2HB MET 1 2HB MET 1 -1.075 -7.812 8.625 4 2HG MET 1 2HG MET 1 -0.986 -9.647 10.273 5 1HE MET 1 1HE MET 1 -3.444 -12.346 11.029 6 2HE MET 1 2HE MET 1 -1.763 -11.772 10.914 7 3HE MET 1 3HE MET 1 -2.728 -11.416 12.366 8 H GLN 2 H GLN 2 0.188 -6.379 10.653 9 HA GLN 2 HA GLN 2 -0.440 -3.707 9.663 10 2HB GLN 2 2HB GLN 2 0.325 -4.129 12.153 11 2HG GLN 2 2HG GLN 2 2.488 -5.314 10.924 12 1HE2 GLN 2 1HE2 GLN 2 3.375 -2.602 12.932 13 2HE2 GLN 2 2HE2 GLN 2 4.455 -1.816 11.830 14 H ILE 3 H ILE 3 1.135 -2.660 8.276 15 HA ILE 3 HA ILE 3 3.374 -4.271 7.401 16 HB ILE 3 HB ILE 3 2.681 -3.987 5.005 17 2HG1 ILE 3 2HG1 ILE 3 0.756 -2.335 5.876 18 1HG2 ILE 3 1HG2 ILE 3 2.338 -6.048 6.704 19 2HG2 ILE 3 2HG2 ILE 3 0.649 -5.778 6.212 20 3HG2 ILE 3 3HG2 ILE 3 1.893 -6.104 4.981 21 1HD1 ILE 3 1HD1 ILE 3 1.159 -2.407 3.553 22 2HD1 ILE 3 2HD1 ILE 3 0.886 -4.164 3.463 23 3HD1 ILE 3 3HD1 ILE 3 -0.494 -3.059 3.677 24 H PHE 4 H PHE 4 4.240 -2.796 5.257 25 HA PHE 4 HA PHE 4 4.117 -0.012 6.106 26 2HB PHE 4 2HB PHE 4 6.608 0.061 6.097 27 HD1 PHE 4 1HD PHE 4 5.251 0.330 8.394 28 HD2 PHE 4 2HD PHE 4 7.162 -3.226 7.087 29 HE1 PHE 4 1HE PHE 4 5.376 -0.475 10.767 30 HE2 PHE 4 2HE PHE 4 7.286 -4.031 9.460 31 HZ PHE 4 HZ PHE 4 6.393 -2.647 11.272 32 H VAL 5 H VAL 5 5.002 1.489 4.440 33 HA VAL 5 HA VAL 5 5.138 0.241 1.791 34 HB VAL 5 HB VAL 5 3.476 2.619 2.637 35 1HG1 VAL 5 1HG1 VAL 5 2.875 2.912 0.301 36 2HG1 VAL 5 2HG1 VAL 5 4.642 3.040 0.487 37 3HG1 VAL 5 3HG1 VAL 5 3.920 1.551 -0.171 38 1HG2 VAL 5 1HG2 VAL 5 2.619 0.220 2.977 39 2HG2 VAL 5 2HG2 VAL 5 1.576 1.346 2.077 40 3HG2 VAL 5 3HG2 VAL 5 2.537 0.130 1.201 41 H LYS 6 H LYS 6 6.400 1.454 0.229 42 HA LYS 6 HA LYS 6 8.278 3.262 1.575 43 2HB LYS 6 2HB LYS 6 9.016 2.083 -1.037 44 2HG LYS 6 2HG LYS 6 10.258 3.217 1.298 45 2HD LYS 6 2HD LYS 6 11.090 0.345 0.669 46 2HE LYS 6 2HE LYS 6 12.519 1.429 2.890 47 1HZ LYS 6 1HZ LYS 6 13.769 1.231 0.297 48 2HZ LYS 6 2HZ LYS 6 14.236 0.602 1.731 49 3HZ LYS 6 3HZ LYS 6 13.057 -0.125 0.864 50 H THR 7 H THR 7 9.408 4.365 -0.808 51 HA THR 7 HA THR 7 7.704 5.332 -2.696 52 HB THR 7 HB THR 7 6.174 6.451 -1.356 53 HG1 THR 7 1HG THR 7 7.027 8.669 -1.117 54 1HG2 THR 7 1HG2 THR 7 6.619 6.055 0.890 55 2HG2 THR 7 2HG2 THR 7 8.373 6.278 0.679 56 3HG2 THR 7 3HG2 THR 7 7.304 7.696 0.807 57 H LEU 8 H LEU 8 8.484 7.571 -3.583 58 HA LEU 8 HA LEU 8 11.214 7.292 -4.056 59 2HB LEU 8 2HB LEU 8 11.026 9.362 -5.266 60 HG LEU 8 HG LEU 8 8.450 7.785 -5.526 61 1HD1 LEU 8 1HD1 LEU 8 8.461 8.795 -7.865 62 2HD1 LEU 8 2HD1 LEU 8 8.000 9.870 -6.522 63 3HD1 LEU 8 3HD1 LEU 8 9.628 9.981 -7.232 64 1HD2 LEU 8 1HD2 LEU 8 9.574 6.730 -7.455 65 2HD2 LEU 8 2HD2 LEU 8 11.070 7.601 -7.038 66 3HD2 LEU 8 3HD2 LEU 8 10.396 6.397 -5.911 67 H THR 9 H THR 9 9.519 8.545 -1.332 68 HA THR 9 HA THR 9 11.770 10.247 -0.562 69 HB THR 9 HB THR 9 10.200 11.124 1.089 70 HG1 THR 9 1HG THR 9 8.447 9.825 1.664 71 1HG2 THR 9 1HG2 THR 9 7.981 10.827 -0.704 72 2HG2 THR 9 2HG2 THR 9 9.058 12.235 -0.547 73 3HG2 THR 9 3HG2 THR 9 9.441 10.947 -1.715 74 H GLY 10 H GLY 10 10.966 7.006 -0.442 75 1HA GLY 10 1HA GLY 10 11.603 5.284 0.858 76 2HA GLY 10 2HA GLY 10 13.020 6.252 1.214 77 H LYS 11 H LYS 11 9.581 5.713 2.196 78 HA LYS 11 HA LYS 11 10.423 6.281 4.941 79 2HB LYS 11 2HB LYS 11 7.729 7.160 4.622 80 2HG LYS 11 2HG LYS 11 10.379 8.586 5.134 81 2HD LYS 11 2HD LYS 11 8.365 10.030 4.297 82 2HE LYS 11 2HE LYS 11 7.030 8.591 6.312 83 1HZ LYS 11 1HZ LYS 11 6.474 10.867 7.538 84 2HZ LYS 11 2HZ LYS 11 7.524 9.763 8.126 85 3HZ LYS 11 3HZ LYS 11 8.079 11.066 7.311 86 H THR 12 H THR 12 8.064 5.716 6.261 87 HA THR 12 HA THR 12 7.064 3.197 5.208 88 HB THR 12 HB THR 12 9.017 3.505 7.470 89 HG1 THR 12 1HG THR 12 9.397 1.302 6.578 90 1HG2 THR 12 1HG2 THR 12 6.696 1.502 7.483 91 2HG2 THR 12 2HG2 THR 12 8.136 1.405 8.524 92 3HG2 THR 12 3HG2 THR 12 6.990 2.754 8.714 93 H ILE 13 H ILE 13 4.982 2.772 5.794 94 HA ILE 13 HA ILE 13 3.858 4.573 7.822 95 HB ILE 13 HB ILE 13 1.750 4.383 6.320 96 2HG1 ILE 13 2HG1 ILE 13 3.957 3.622 4.408 97 1HG2 ILE 13 1HG2 ILE 13 3.907 6.168 5.225 98 2HG2 ILE 13 2HG2 ILE 13 2.180 6.505 5.494 99 3HG2 ILE 13 3HG2 ILE 13 3.291 6.393 6.879 100 1HD1 ILE 13 1HD1 ILE 13 1.539 2.397 5.534 101 2HD1 ILE 13 2HD1 ILE 13 1.503 2.423 3.755 102 3HD1 ILE 13 3HD1 ILE 13 2.858 1.646 4.606 103 H THR 14 H THR 14 2.900 3.519 9.478 104 HA THR 14 HA THR 14 2.621 0.644 9.259 105 HB THR 14 HB THR 14 2.411 2.716 11.494 106 HG1 THR 14 1HG THR 14 4.252 1.152 12.111 107 1HG2 THR 14 1HG2 THR 14 1.960 -0.311 11.563 108 2HG2 THR 14 2HG2 THR 14 2.381 0.648 13.002 109 3HG2 THR 14 3HG2 THR 14 0.849 0.949 12.148 110 H LEU 15 H LEU 15 0.900 -0.063 8.122 111 HA LEU 15 HA LEU 15 -1.648 1.283 8.644 112 2HB LEU 15 2HB LEU 15 -2.103 -0.425 6.570 113 HG LEU 15 HG LEU 15 -1.309 1.647 5.093 114 1HD1 LEU 15 1HD1 LEU 15 -3.753 1.125 6.702 115 2HD1 LEU 15 2HD1 LEU 15 -3.590 2.742 5.976 116 3HD1 LEU 15 3HD1 LEU 15 -3.541 1.295 4.942 117 1HD2 LEU 15 1HD2 LEU 15 -1.873 3.091 7.668 118 2HD2 LEU 15 2HD2 LEU 15 -0.214 2.604 7.246 119 3HD2 LEU 15 3HD2 LEU 15 -1.124 3.690 6.169 120 H GLU 16 H GLU 16 -3.591 -0.378 8.476 121 HA GLU 16 HA GLU 16 -2.812 -2.744 9.990 122 2HB GLU 16 2HB GLU 16 -3.754 -1.201 11.603 123 2HG GLU 16 2HG GLU 16 -5.626 -0.618 9.367 124 H VAL 17 H VAL 17 -2.864 -3.653 7.715 125 HA VAL 17 HA VAL 17 -5.609 -4.024 6.763 126 HB VAL 17 HB VAL 17 -4.590 -4.660 4.658 127 1HG1 VAL 17 1HG1 VAL 17 -4.823 -2.457 4.313 128 2HG1 VAL 17 2HG1 VAL 17 -4.202 -2.052 5.931 129 3HG1 VAL 17 3HG1 VAL 17 -3.069 -2.343 4.589 130 1HG2 VAL 17 1HG2 VAL 17 -1.940 -3.989 4.706 131 2HG2 VAL 17 2HG2 VAL 17 -2.135 -4.760 6.299 132 3HG2 VAL 17 3HG2 VAL 17 -2.569 -5.651 4.820 133 H GLU 18 H GLU 18 -5.637 -6.367 5.503 134 HA GLU 18 HA GLU 18 -4.685 -8.247 7.523 135 2HB GLU 18 2HB GLU 18 -6.896 -9.404 6.152 136 2HG GLU 18 2HG GLU 18 -6.656 -8.116 8.913 137 HA PRO 19 HA PRO 19 -2.801 -10.357 4.233 138 2HB PRO 19 2HB PRO 19 -1.509 -11.612 5.667 139 2HG PRO 19 2HG PRO 19 -2.367 -11.824 7.798 140 2HD PRO 19 2HD PRO 19 -3.690 -9.948 7.894 141 H SER 20 H SER 20 -5.963 -10.840 5.019 142 HA SER 20 HA SER 20 -6.252 -12.650 2.753 143 2HB SER 20 2HB SER 20 -8.203 -13.533 3.747 144 HG SER 20 HG SER 20 -7.083 -14.411 5.335 145 H ASP 21 H ASP 21 -6.147 -9.459 3.320 146 HA ASP 21 HA ASP 21 -8.668 -8.759 2.135 147 2HB ASP 21 2HB ASP 21 -7.663 -6.395 2.315 148 H THR 22 H THR 22 -8.799 -7.638 0.035 149 HA THR 22 HA THR 22 -6.784 -8.518 -1.820 150 HB THR 22 HB THR 22 -9.255 -8.598 -2.279 151 HG1 THR 22 1HG THR 22 -8.871 -7.755 -4.405 152 1HG2 THR 22 1HG2 THR 22 -9.632 -6.252 -1.116 153 2HG2 THR 22 2HG2 THR 22 -9.101 -5.587 -2.680 154 3HG2 THR 22 3HG2 THR 22 -10.546 -6.623 -2.598 155 H ILE 23 H ILE 23 -5.428 -7.256 -3.121 156 HA ILE 23 HA ILE 23 -4.017 -5.306 -1.967 157 HB ILE 23 HB ILE 23 -4.704 -5.529 -4.900 158 2HG1 ILE 23 2HG1 ILE 23 -2.393 -6.723 -4.844 159 1HG2 ILE 23 1HG2 ILE 23 -2.111 -4.596 -4.690 160 2HG2 ILE 23 2HG2 ILE 23 -3.549 -3.636 -5.117 161 3HG2 ILE 23 3HG2 ILE 23 -2.980 -3.685 -3.431 162 1HD1 ILE 23 1HD1 ILE 23 -2.040 -6.195 -2.374 163 2HD1 ILE 23 2HD1 ILE 23 -3.380 -7.312 -2.019 164 3HD1 ILE 23 3HD1 ILE 23 -1.898 -7.918 -2.798 165 H GLU 24 H GLU 24 -6.919 -4.752 -4.076 166 HA GLU 24 HA GLU 24 -6.988 -2.091 -4.085 167 2HB GLU 24 2HB GLU 24 -9.675 -2.937 -3.534 168 2HG GLU 24 2HG GLU 24 -9.437 -3.013 -6.266 169 H ASN 25 H ASN 25 -8.800 -4.031 -1.588 170 HA ASN 25 HA ASN 25 -9.607 -2.099 0.011 171 2HB ASN 25 2HB ASN 25 -8.234 -4.339 1.469 172 1HD2 ASN 25 1HD2 ASN 25 -9.635 -1.791 1.947 173 2HD2 ASN 25 2HD2 ASN 25 -11.032 -2.158 2.905 174 H VAL 26 H VAL 26 -6.394 -3.801 0.371 175 HA VAL 26 HA VAL 26 -5.382 -2.163 2.357 176 HB VAL 26 HB VAL 26 -3.736 -3.462 0.194 177 1HG1 VAL 26 1HG1 VAL 26 -3.064 -3.663 3.085 178 2HG1 VAL 26 2HG1 VAL 26 -2.008 -3.423 1.673 179 3HG1 VAL 26 3HG1 VAL 26 -2.923 -2.051 2.343 180 1HG2 VAL 26 1HG2 VAL 26 -3.923 -5.448 1.995 181 2HG2 VAL 26 2HG2 VAL 26 -5.539 -4.732 2.197 182 3HG2 VAL 26 3HG2 VAL 26 -5.015 -5.305 0.596 183 H LYS 27 H LYS 27 -5.435 -1.805 -1.215 184 HA LYS 27 HA LYS 27 -3.771 0.528 -1.119 185 2HB LYS 27 2HB LYS 27 -5.019 -1.185 -3.179 186 2HG LYS 27 2HG LYS 27 -4.439 1.775 -3.672 187 2HD LYS 27 2HD LYS 27 -5.120 1.242 -6.015 188 2HE LYS 27 2HE LYS 27 -2.843 -0.543 -5.028 189 1HZ LYS 27 1HZ LYS 27 -2.026 -0.160 -7.234 190 2HZ LYS 27 2HZ LYS 27 -3.502 -0.853 -7.324 191 3HZ LYS 27 3HZ LYS 27 -3.331 0.742 -7.627 192 H ALA 28 H ALA 28 -6.871 -0.074 -0.076 193 HA ALA 28 HA ALA 28 -7.942 2.461 -1.050 194 1HB ALA 28 1HB ALA 28 -9.197 0.185 -1.031 195 2HB ALA 28 2HB ALA 28 -9.353 0.451 0.722 196 3HB ALA 28 3HB ALA 28 -10.054 1.621 -0.421 197 H LYS 29 H LYS 29 -7.062 0.685 1.972 198 HA LYS 29 HA LYS 29 -7.888 2.562 3.799 199 2HB LYS 29 2HB LYS 29 -5.698 1.564 5.016 200 2HG LYS 29 2HG LYS 29 -8.502 0.774 4.670 201 2HD LYS 29 2HD LYS 29 -6.459 -1.349 4.586 202 2HE LYS 29 2HE LYS 29 -8.046 -0.991 7.053 203 1HZ LYS 29 1HZ LYS 29 -8.301 -3.424 5.447 204 2HZ LYS 29 2HZ LYS 29 -8.447 -3.453 7.072 205 3HZ LYS 29 3HZ LYS 29 -9.485 -2.567 6.176 206 H ILE 30 H ILE 30 -4.456 2.201 2.651 207 HA ILE 30 HA ILE 30 -3.444 4.475 3.660 208 HB ILE 30 HB ILE 30 -2.143 4.432 1.317 209 2HG1 ILE 30 2HG1 ILE 30 -4.002 2.620 0.675 210 1HG2 ILE 30 1HG2 ILE 30 -0.508 3.582 2.577 211 2HG2 ILE 30 2HG2 ILE 30 -1.701 3.570 3.898 212 3HG2 ILE 30 3HG2 ILE 30 -1.426 2.100 2.933 213 1HD1 ILE 30 1HD1 ILE 30 -1.524 1.559 -0.335 214 2HD1 ILE 30 2HD1 ILE 30 -2.693 2.612 -1.168 215 3HD1 ILE 30 3HD1 ILE 30 -1.365 3.329 -0.224 216 H GLN 31 H GLN 31 -4.782 4.283 0.280 217 HA GLN 31 HA GLN 31 -4.686 6.863 -0.347 218 2HB GLN 31 2HB GLN 31 -6.805 6.430 -1.718 219 2HG GLN 31 2HG GLN 31 -5.717 4.883 -3.194 220 1HE2 GLN 31 1HE2 GLN 31 -3.145 5.190 -0.835 221 2HE2 GLN 31 2HE2 GLN 31 -2.247 6.451 -1.614 222 H ASP 32 H ASP 32 -6.770 5.369 2.078 223 HA ASP 32 HA ASP 32 -8.444 7.698 2.215 224 2HB ASP 32 2HB ASP 32 -8.857 5.992 4.474 225 H LYS 33 H LYS 33 -6.088 5.826 4.263 226 HA LYS 33 HA LYS 33 -6.087 7.266 6.539 227 2HB LYS 33 2HB LYS 33 -3.386 6.749 6.104 228 2HG LYS 33 2HG LYS 33 -4.450 4.348 7.024 229 2HD LYS 33 2HD LYS 33 -3.220 6.734 8.120 230 2HE LYS 33 2HE LYS 33 -4.296 5.941 10.518 231 1HZ LYS 33 1HZ LYS 33 -5.359 8.032 8.746 232 2HZ LYS 33 2HZ LYS 33 -5.549 7.973 10.368 233 3HZ LYS 33 3HZ LYS 33 -4.063 8.194 9.727 234 H GLU 34 H GLU 34 -3.993 7.998 3.656 235 HA GLU 34 HA GLU 34 -3.333 10.520 4.794 236 2HB GLU 34 2HB GLU 34 -1.540 9.765 3.551 237 2HG GLU 34 2HG GLU 34 -2.120 8.784 1.110 238 H GLY 35 H GLY 35 -5.351 9.292 2.060 239 1HA GLY 35 1HA GLY 35 -7.428 10.322 1.570 240 2HA GLY 35 2HA GLY 35 -6.782 11.868 2.089 241 H ILE 36 H ILE 36 -5.483 9.303 -0.141 242 HA ILE 36 HA ILE 36 -5.609 11.268 -2.300 243 HB ILE 36 HB ILE 36 -3.419 11.608 -1.735 244 2HG1 ILE 36 2HG1 ILE 36 -3.268 11.142 -4.002 245 1HG2 ILE 36 1HG2 ILE 36 -1.872 9.980 -0.862 246 2HG2 ILE 36 2HG2 ILE 36 -3.380 9.920 0.083 247 3HG2 ILE 36 3HG2 ILE 36 -3.040 8.664 -1.132 248 1HD1 ILE 36 1HD1 ILE 36 -1.179 10.050 -4.320 249 2HD1 ILE 36 2HD1 ILE 36 -1.097 10.664 -2.651 250 3HD1 ILE 36 3HD1 ILE 36 -1.452 8.946 -2.951 251 HA PRO 37 HA PRO 37 -7.143 7.801 -4.378 252 2HB PRO 37 2HB PRO 37 -8.370 9.124 -5.808 253 2HG PRO 37 2HG PRO 37 -7.639 11.306 -5.968 254 2HD PRO 37 2HD PRO 37 -6.555 11.521 -3.953 255 HA PRO 38 HA PRO 38 -3.760 5.539 -5.618 256 2HB PRO 38 2HB PRO 38 -4.579 3.608 -4.670 257 2HG PRO 38 2HG PRO 38 -6.851 3.617 -4.273 258 2HD PRO 38 2HD PRO 38 -7.232 5.881 -4.135 259 H ASP 39 H ASP 39 -6.101 6.728 -7.622 260 HA ASP 39 HA ASP 39 -5.307 5.420 -9.973 261 2HB ASP 39 2HB ASP 39 -6.347 7.916 -10.731 262 H GLN 40 H GLN 40 -3.672 7.540 -7.937 263 HA GLN 40 HA GLN 40 -2.294 8.829 -10.158 264 2HB GLN 40 2HB GLN 40 -1.382 10.256 -8.092 265 2HG GLN 40 2HG GLN 40 -2.685 11.286 -9.865 266 1HE2 GLN 40 1HE2 GLN 40 -4.798 9.572 -7.572 267 2HE2 GLN 40 2HE2 GLN 40 -6.095 9.239 -8.670 268 H GLN 41 H GLN 41 -2.029 6.645 -7.389 269 HA GLN 41 HA GLN 41 0.666 6.059 -8.253 270 2HB GLN 41 2HB GLN 41 1.155 7.553 -6.450 271 2HG GLN 41 2HG GLN 41 -1.388 6.694 -5.446 272 1HE2 GLN 41 1HE2 GLN 41 0.228 7.798 -2.814 273 2HE2 GLN 41 2HE2 GLN 41 0.411 6.343 -1.891 274 H ARG 42 H ARG 42 1.394 3.882 -7.568 275 HA ARG 42 HA ARG 42 -0.839 2.256 -6.658 276 2HB ARG 42 2HB ARG 42 -0.209 0.492 -8.253 277 2HG ARG 42 2HG ARG 42 -0.727 3.273 -9.239 278 2HD ARG 42 2HD ARG 42 0.884 1.472 -10.794 279 HE ARG 42 HE ARG 42 -0.771 0.378 -12.019 280 1HH1 ARG 42 2HH2 ARG 42 -1.892 3.629 -11.272 281 2HH1 ARG 42 1HH2 ARG 42 -3.344 3.481 -12.205 282 1HH2 ARG 42 2HH1 ARG 42 -2.685 0.182 -13.251 283 2HH2 ARG 42 1HH1 ARG 42 -3.798 1.507 -13.338 284 H LEU 43 H LEU 43 -0.038 0.039 -5.791 285 HA LEU 43 HA LEU 43 2.409 0.534 -4.277 286 2HB LEU 43 2HB LEU 43 1.494 -1.533 -3.018 287 HG LEU 43 HG LEU 43 -0.043 -0.256 -1.641 288 1HD1 LEU 43 1HD1 LEU 43 1.679 0.769 -0.688 289 2HD1 LEU 43 2HD1 LEU 43 2.637 0.402 -2.144 290 3HD1 LEU 43 3HD1 LEU 43 1.780 1.956 -2.011 291 1HD2 LEU 43 1HD2 LEU 43 -1.273 1.481 -2.320 292 2HD2 LEU 43 2HD2 LEU 43 0.105 2.267 -3.126 293 3HD2 LEU 43 3HD2 LEU 43 -0.811 0.994 -3.968 294 H ILE 44 H ILE 44 4.054 -1.128 -4.096 295 HA ILE 44 HA ILE 44 3.934 -3.114 -6.246 296 HB ILE 44 HB ILE 44 6.302 -1.344 -5.627 297 2HG1 ILE 44 2HG1 ILE 44 5.830 -0.056 -7.468 298 1HG2 ILE 44 1HG2 ILE 44 5.942 -3.809 -7.241 299 2HG2 ILE 44 2HG2 ILE 44 6.900 -2.502 -7.975 300 3HG2 ILE 44 3HG2 ILE 44 7.378 -3.178 -6.400 301 1HD1 ILE 44 1HD1 ILE 44 4.367 -2.506 -8.462 302 2HD1 ILE 44 2HD1 ILE 44 3.939 -0.909 -9.119 303 3HD1 ILE 44 3HD1 ILE 44 5.602 -1.522 -9.282 304 H PHE 45 H PHE 45 5.312 -5.007 -5.860 305 HA PHE 45 HA PHE 45 6.576 -5.262 -3.317 306 2HB PHE 45 2HB PHE 45 4.085 -6.938 -3.984 307 HD1 PHE 45 1HD PHE 45 5.730 -5.542 -0.934 308 HD2 PHE 45 2HD PHE 45 4.339 -8.994 -2.972 309 HE1 PHE 45 1HE PHE 45 6.303 -6.951 1.063 310 HE2 PHE 45 2HE PHE 45 4.913 -10.404 -0.976 311 HZ PHE 45 HZ PHE 45 5.888 -9.366 1.018 312 H ALA 46 H ALA 46 8.331 -6.514 -3.724 313 HA ALA 46 HA ALA 46 9.556 -8.215 -4.469 314 1HB ALA 46 1HB ALA 46 8.572 -10.226 -5.102 315 2HB ALA 46 2HB ALA 46 7.234 -9.452 -4.219 316 3HB ALA 46 3HB ALA 46 7.260 -9.424 -5.999 317 H GLY 47 H GLY 47 8.203 -5.755 -6.132 318 1HA GLY 47 1HA GLY 47 9.113 -4.693 -7.952 319 2HA GLY 47 2HA GLY 47 9.970 -6.153 -8.403 320 H LYS 48 H LYS 48 6.590 -6.567 -7.581 321 HA LYS 48 HA LYS 48 5.981 -6.748 -10.449 322 2HB LYS 48 2HB LYS 48 6.075 -8.876 -8.926 323 2HG LYS 48 2HG LYS 48 3.163 -8.316 -8.498 324 2HD LYS 48 2HD LYS 48 5.212 -9.585 -6.637 325 2HE LYS 48 2HE LYS 48 2.703 -10.914 -6.614 326 1HZ LYS 48 1HZ LYS 48 3.107 -10.623 -4.483 327 2HZ LYS 48 2HZ LYS 48 4.429 -9.742 -4.864 328 3HZ LYS 48 3HZ LYS 48 3.004 -8.995 -4.582 329 H GLN 49 H GLN 49 3.636 -6.334 -10.987 330 HA GLN 49 HA GLN 49 2.900 -3.910 -9.698 331 2HB GLN 49 2HB GLN 49 1.875 -5.497 -12.060 332 2HG GLN 49 2HG GLN 49 0.558 -3.019 -10.851 333 1HE2 GLN 49 1HE2 GLN 49 -1.600 -4.960 -12.310 334 2HE2 GLN 49 2HE2 GLN 49 -1.669 -4.281 -13.903 335 H LEU 50 H LEU 50 1.643 -3.772 -7.895 336 HA LEU 50 HA LEU 50 0.201 -6.114 -7.038 337 2HB LEU 50 2HB LEU 50 -0.295 -3.851 -5.386 338 HG LEU 50 HG LEU 50 -0.035 -6.145 -4.526 339 1HD1 LEU 50 1HD1 LEU 50 1.775 -6.861 -6.044 340 2HD1 LEU 50 2HD1 LEU 50 2.913 -5.825 -5.151 341 3HD1 LEU 50 3HD1 LEU 50 2.136 -7.202 -4.335 342 1HD2 LEU 50 1HD2 LEU 50 0.157 -4.598 -2.823 343 2HD2 LEU 50 2HD2 LEU 50 1.679 -5.509 -2.666 344 3HD2 LEU 50 3HD2 LEU 50 1.673 -3.916 -3.461 345 H GLU 51 H GLU 51 -1.825 -6.570 -7.690 346 HA GLU 51 HA GLU 51 -3.526 -4.272 -8.265 347 2HB GLU 51 2HB GLU 51 -3.878 -6.890 -9.736 348 2HG GLU 51 2HG GLU 51 -5.629 -5.237 -10.068 349 H ASP 52 H ASP 52 -5.963 -4.947 -8.211 350 HA ASP 52 HA ASP 52 -6.426 -6.021 -5.687 351 2HB ASP 52 2HB ASP 52 -8.112 -5.175 -8.039 352 H GLY 53 H GLY 53 -5.604 -7.508 -8.618 353 1HA GLY 53 1HA GLY 53 -7.136 -9.568 -9.248 354 2HA GLY 53 2HA GLY 53 -5.403 -9.740 -9.052 355 H ARG 54 H ARG 54 -4.649 -10.040 -6.639 356 HA ARG 54 HA ARG 54 -6.582 -11.832 -5.401 357 2HB ARG 54 2HB ARG 54 -4.744 -13.240 -4.669 358 2HG ARG 54 2HG ARG 54 -3.397 -12.909 -7.184 359 2HD ARG 54 2HD ARG 54 -4.640 -14.942 -5.738 360 HE ARG 54 HE ARG 54 -6.798 -15.006 -6.652 361 1HH1 ARG 54 2HH2 ARG 54 -4.466 -14.397 -9.215 362 2HH1 ARG 54 1HH2 ARG 54 -5.628 -14.572 -10.488 363 1HH2 ARG 54 2HH1 ARG 54 -8.331 -15.237 -8.331 364 2HH2 ARG 54 1HH1 ARG 54 -7.840 -15.053 -9.982 365 H THR 55 H THR 55 -4.898 -12.228 -3.004 366 HA THR 55 HA THR 55 -5.150 -9.540 -1.824 367 HB THR 55 HB THR 55 -5.650 -10.834 0.291 368 HG1 THR 55 1HG THR 55 -5.848 -13.146 -0.024 369 1HG2 THR 55 1HG2 THR 55 -7.413 -10.400 -1.817 370 2HG2 THR 55 2HG2 THR 55 -7.526 -12.163 -1.599 371 3HG2 THR 55 3HG2 THR 55 -7.881 -11.073 -0.237 372 H LEU 56 H LEU 56 -3.795 -9.618 0.429 373 HA LEU 56 HA LEU 56 -1.148 -9.462 -0.392 374 2HB LEU 56 2HB LEU 56 -0.641 -9.012 1.882 375 HG LEU 56 HG LEU 56 -3.509 -8.090 1.716 376 1HD1 LEU 56 1HD1 LEU 56 -2.116 -5.994 2.657 377 2HD1 LEU 56 2HD1 LEU 56 -2.795 -7.267 3.698 378 3HD1 LEU 56 3HD1 LEU 56 -1.077 -7.320 3.234 379 1HD2 LEU 56 1HD2 LEU 56 -2.209 -7.785 -0.478 380 2HD2 LEU 56 2HD2 LEU 56 -2.988 -6.353 0.240 381 3HD2 LEU 56 3HD2 LEU 56 -1.234 -6.597 0.420 382 H SER 57 H SER 57 -2.950 -12.063 1.348 383 HA SER 57 HA SER 57 -0.805 -13.667 1.881 384 2HB SER 57 2HB SER 57 -2.878 -14.244 2.879 385 HG SER 57 HG SER 57 -4.745 -14.058 1.853 386 H ASP 58 H ASP 58 -3.008 -13.674 -1.012 387 HA ASP 58 HA ASP 58 -1.793 -15.748 -2.320 388 2HB ASP 58 2HB ASP 58 -2.733 -14.619 -4.416 389 H TYR 59 H TYR 59 -0.847 -12.374 -1.829 390 HA TYR 59 HA TYR 59 1.156 -12.499 -3.944 391 2HB TYR 59 2HB TYR 59 1.454 -10.071 -2.824 392 HD1 TYR 59 1HD TYR 59 -1.095 -12.097 -4.525 393 HD2 TYR 59 2HD TYR 59 0.431 -8.143 -3.938 394 HE1 TYR 59 1HE TYR 59 -2.412 -11.283 -6.541 395 HE2 TYR 59 2HE TYR 59 -0.890 -7.342 -5.957 396 HH TYR 59 HH TYR 59 -2.418 -9.558 -8.107 397 H ASN 60 H ASN 60 0.916 -13.664 -0.851 398 HA ASN 60 HA ASN 60 2.407 -14.391 0.556 399 2HB ASN 60 2HB ASN 60 4.944 -13.355 -0.361 400 1HD2 ASN 60 1HD2 ASN 60 3.030 -15.986 -1.751 401 2HD2 ASN 60 2HD2 ASN 60 3.855 -17.302 -0.984 402 H ILE 61 H ILE 61 1.455 -11.370 0.122 403 HA ILE 61 HA ILE 61 3.473 -9.885 1.515 404 HB ILE 61 HB ILE 61 0.700 -9.273 0.519 405 2HG1 ILE 61 2HG1 ILE 61 2.773 -9.509 -1.013 406 1HG2 ILE 61 1HG2 ILE 61 1.155 -6.909 1.158 407 2HG2 ILE 61 2HG2 ILE 61 0.924 -8.001 2.544 408 3HG2 ILE 61 3HG2 ILE 61 2.562 -7.474 2.091 409 1HD1 ILE 61 1HD1 ILE 61 1.912 -7.834 -2.473 410 2HD1 ILE 61 2HD1 ILE 61 0.513 -8.319 -1.484 411 3HD1 ILE 61 3HD1 ILE 61 1.382 -6.809 -1.119 412 H GLN 62 H GLN 62 3.769 -11.076 3.475 413 HA GLN 62 HA GLN 62 1.483 -11.483 5.131 414 2HB GLN 62 2HB GLN 62 3.735 -11.939 6.713 415 2HG GLN 62 2HG GLN 62 3.411 -14.361 5.510 416 1HE2 GLN 62 1HE2 GLN 62 3.659 -14.979 7.578 417 2HE2 GLN 62 2HE2 GLN 62 2.458 -14.830 8.817 418 H LYS 63 H LYS 63 2.432 -10.900 7.716 419 HA LYS 63 HA LYS 63 1.847 -8.168 7.886 420 2HB LYS 63 2HB LYS 63 3.237 -9.465 10.162 421 2HG LYS 63 2HG LYS 63 0.511 -8.137 9.786 422 2HD LYS 63 2HD LYS 63 1.689 -9.625 11.996 423 2HE LYS 63 2HE LYS 63 0.677 -7.339 13.368 424 1HZ LYS 63 1HZ LYS 63 3.165 -8.786 13.160 425 2HZ LYS 63 2HZ LYS 63 3.240 -7.309 13.852 426 3HZ LYS 63 3HZ LYS 63 2.260 -8.456 14.479 427 H GLU 64 H GLU 64 3.333 -6.551 9.071 428 HA GLU 64 HA GLU 64 5.037 -5.214 8.737 429 2HB GLU 64 2HB GLU 64 7.113 -5.995 9.687 430 2HG GLU 64 2HG GLU 64 4.556 -6.757 10.820 431 H SER 65 H SER 65 4.168 -5.646 6.273 432 HA SER 65 HA SER 65 6.321 -6.756 4.707 433 2HB SER 65 2HB SER 65 3.781 -7.146 4.297 434 HG SER 65 HG SER 65 2.879 -5.543 2.817 435 H THR 66 H THR 66 6.471 -5.291 2.431 436 HA THR 66 HA THR 66 6.574 -2.468 3.054 437 HB THR 66 HB THR 66 9.115 -4.029 2.359 438 HG1 THR 66 1HG THR 66 9.537 -3.583 4.646 439 1HG2 THR 66 1HG2 THR 66 8.687 -1.174 3.380 440 2HG2 THR 66 2HG2 THR 66 10.248 -1.929 2.980 441 3HG2 THR 66 3HG2 THR 66 9.071 -1.581 1.690 442 H LEU 67 H LEU 67 5.428 -1.690 1.391 443 HA LEU 67 HA LEU 67 5.793 -2.956 -1.207 444 2HB LEU 67 2HB LEU 67 3.815 -1.645 -1.844 445 HG LEU 67 HG LEU 67 2.207 -2.924 -0.844 446 1HD1 LEU 67 1HD1 LEU 67 4.443 -4.605 0.232 447 2HD1 LEU 67 2HD1 LEU 67 3.000 -5.077 -0.696 448 3HD1 LEU 67 3HD1 LEU 67 4.358 -4.268 -1.514 449 1HD2 LEU 67 1HD2 LEU 67 3.344 -1.924 1.580 450 2HD2 LEU 67 2HD2 LEU 67 1.744 -2.654 1.306 451 3HD2 LEU 67 3HD2 LEU 67 3.130 -3.684 1.734 452 H HIS 68 H HIS 68 6.182 -1.624 -3.133 453 HA HIS 68 HA HIS 68 7.836 0.683 -2.421 454 2HB HIS 68 2HB HIS 68 8.794 0.226 -4.780 455 HD1 HIS 68 1HD HIS 68 11.041 0.463 -3.636 456 HD2 HIS 68 2HD HIS 68 8.959 -2.973 -2.432 457 HE1 HIS 68 1HE HIS 68 12.665 -0.893 -2.209 458 H LEU 69 H LEU 69 7.102 2.674 -2.968 459 HA LEU 69 HA LEU 69 4.680 2.848 -4.500 460 2HB LEU 69 2HB LEU 69 5.871 5.389 -3.925 461 HG LEU 69 HG LEU 69 3.612 4.008 -2.454 462 1HD1 LEU 69 1HD1 LEU 69 4.562 6.863 -2.624 463 2HD1 LEU 69 2HD1 LEU 69 2.883 6.460 -2.193 464 3HD1 LEU 69 3HD1 LEU 69 4.226 5.870 -1.185 465 1HD2 LEU 69 1HD2 LEU 69 2.207 5.475 -4.071 466 2HD2 LEU 69 2HD2 LEU 69 3.661 5.438 -5.098 467 3HD2 LEU 69 3HD2 LEU 69 2.855 3.918 -4.642 468 H VAL 70 H VAL 70 4.405 3.829 -6.540 469 HA VAL 70 HA VAL 70 6.861 3.850 -8.113 470 HB VAL 70 HB VAL 70 5.044 4.029 -9.977 471 1HG1 VAL 70 1HG1 VAL 70 5.992 2.016 -10.236 472 2HG1 VAL 70 2HG1 VAL 70 6.166 1.781 -8.480 473 3HG1 VAL 70 3HG1 VAL 70 4.632 1.371 -9.285 474 1HG2 VAL 70 1HG2 VAL 70 3.263 4.418 -8.111 475 2HG2 VAL 70 2HG2 VAL 70 2.868 3.365 -9.490 476 3HG2 VAL 70 3HG2 VAL 70 3.324 2.649 -7.926 477 H LEU 71 H LEU 71 7.092 5.603 -9.792 478 HA LEU 71 HA LEU 71 6.700 8.127 -8.499 479 2HB LEU 71 2HB LEU 71 8.323 8.875 -9.847 480 HG LEU 71 HG LEU 71 8.864 6.266 -9.260 481 1HD1 LEU 71 1HD1 LEU 71 7.985 5.932 -11.768 482 2HD1 LEU 71 2HD1 LEU 71 9.690 6.306 -12.115 483 3HD1 LEU 71 3HD1 LEU 71 9.277 4.941 -11.051 484 1HD2 LEU 71 1HD2 LEU 71 10.808 7.295 -8.992 485 2HD2 LEU 71 2HD2 LEU 71 11.085 7.170 -10.745 486 3HD2 LEU 71 3HD2 LEU 71 10.303 8.620 -10.069 487 H ARG 72 H ARG 72 4.215 7.529 -8.556 488 HA ARG 72 HA ARG 72 2.228 7.857 -9.364 489 2HB ARG 72 2HB ARG 72 2.056 10.085 -10.816 490 2HG ARG 72 2HG ARG 72 3.327 10.710 -8.190 491 2HD ARG 72 2HD ARG 72 0.423 11.155 -8.680 492 HE ARG 72 HE ARG 72 2.548 12.443 -7.265 493 1HH1 ARG 72 2HH2 ARG 72 -0.287 13.259 -9.182 494 2HH1 ARG 72 1HH2 ARG 72 -0.542 14.779 -8.393 495 1HH2 ARG 72 2HH1 ARG 72 2.213 14.449 -6.222 496 2HH2 ARG 72 1HH1 ARG 72 0.891 15.461 -6.698 497 H LEU 73 H LEU 73 1.018 8.706 -11.697 498 HA LEU 73 HA LEU 73 1.420 6.556 -13.421 499 2HB LEU 73 2HB LEU 73 -0.257 7.505 -14.744 500 HG LEU 73 HG LEU 73 -0.696 7.435 -12.001 501 1HD1 LEU 73 1HD1 LEU 73 -2.448 9.526 -12.129 502 2HD1 LEU 73 2HD1 LEU 73 -0.859 9.567 -11.326 503 3HD1 LEU 73 3HD1 LEU 73 -1.034 10.189 -12.984 504 1HD2 LEU 73 1HD2 LEU 73 -2.431 6.382 -12.897 505 2HD2 LEU 73 2HD2 LEU 73 -3.178 7.969 -13.198 506 3HD2 LEU 73 3HD2 LEU 73 -2.188 7.197 -14.461 507 H ARG 74 H ARG 74 1.520 7.460 -16.024 508 HA ARG 74 HA ARG 74 4.112 7.500 -16.583 509 2HB ARG 74 2HB ARG 74 2.266 7.302 -18.263 510 2HG ARG 74 2HG ARG 74 1.552 9.627 -19.252 511 2HD ARG 74 2HD ARG 74 -0.439 9.646 -17.898 512 HE ARG 74 HE ARG 74 0.031 6.840 -17.389 513 1HH1 ARG 74 2HH2 ARG 74 -0.191 9.185 -20.004 514 2HH1 ARG 74 1HH2 ARG 74 -0.674 8.012 -21.185 515 1HH2 ARG 74 2HH1 ARG 74 -0.607 5.293 -18.945 516 2HH2 ARG 74 1HH1 ARG 74 -0.912 5.784 -20.578 517 H GLY 75 H GLY 75 5.592 9.262 -17.448 518 1HA GLY 75 1HA GLY 75 6.193 11.526 -17.599 519 2HA GLY 75 2HA GLY 75 4.996 11.938 -16.388 520 H GLY 76 H GLY 76 8.269 10.738 -16.983 521 1HA GLY 76 1HA GLY 76 8.978 11.366 -14.229 522 2HA GLY 76 2HA GLY 76 9.206 9.700 -14.724 Start of MODEL 2 1 1H MET 1 1H MET 1 -3.846 -6.634 11.597 2 HA MET 1 HA MET 1 -1.800 -7.597 11.260 3 2HB MET 1 2HB MET 1 -1.563 -6.823 8.374 4 2HG MET 1 2HG MET 1 -0.358 -8.668 10.172 5 1HE MET 1 1HE MET 1 -2.515 -9.537 10.898 6 2HE MET 1 2HE MET 1 -3.578 -10.661 10.018 7 3HE MET 1 3HE MET 1 -2.174 -11.283 10.918 8 H GLN 2 H GLN 2 0.403 -6.507 10.175 9 HA GLN 2 HA GLN 2 0.059 -3.651 10.075 10 2HB GLN 2 2HB GLN 2 2.238 -4.478 11.923 11 2HG GLN 2 2HG GLN 2 0.068 -2.339 11.853 12 1HE2 GLN 2 1HE2 GLN 2 3.226 -2.340 13.363 13 2HE2 GLN 2 2HE2 GLN 2 2.714 -2.143 15.006 14 H ILE 3 H ILE 3 1.021 -3.264 8.117 15 HA ILE 3 HA ILE 3 3.635 -4.536 7.686 16 HB ILE 3 HB ILE 3 3.099 -4.354 5.255 17 2HG1 ILE 3 2HG1 ILE 3 1.221 -2.641 5.706 18 1HG2 ILE 3 1HG2 ILE 3 2.451 -6.495 5.295 19 2HG2 ILE 3 2HG2 ILE 3 2.534 -6.337 7.066 20 3HG2 ILE 3 3HG2 ILE 3 0.978 -6.135 6.227 21 1HD1 ILE 3 1HD1 ILE 3 1.540 -4.724 3.675 22 2HD1 ILE 3 2HD1 ILE 3 -0.168 -4.263 3.865 23 3HD1 ILE 3 3HD1 ILE 3 1.049 -3.024 3.478 24 H PHE 4 H PHE 4 4.510 -3.043 5.519 25 HA PHE 4 HA PHE 4 4.310 -0.271 6.418 26 2HB PHE 4 2HB PHE 4 6.804 -0.147 6.300 27 HD1 PHE 4 1HD PHE 4 7.287 -3.503 7.235 28 HD2 PHE 4 2HD PHE 4 5.684 0.160 8.658 29 HE1 PHE 4 1HE PHE 4 7.513 -4.322 9.597 30 HE2 PHE 4 2HE PHE 4 5.909 -0.659 11.019 31 HZ PHE 4 HZ PHE 4 6.821 -2.890 11.461 32 H VAL 5 H VAL 5 4.939 1.307 4.769 33 HA VAL 5 HA VAL 5 5.118 0.144 2.082 34 HB VAL 5 HB VAL 5 3.353 2.440 2.955 35 1HG1 VAL 5 1HG1 VAL 5 4.344 2.711 0.687 36 2HG1 VAL 5 2HG1 VAL 5 3.620 1.155 0.216 37 3HG1 VAL 5 3HG1 VAL 5 2.574 2.523 0.662 38 1HG2 VAL 5 1HG2 VAL 5 1.514 1.056 2.824 39 2HG2 VAL 5 2HG2 VAL 5 2.316 -0.095 1.729 40 3HG2 VAL 5 3HG2 VAL 5 2.732 -0.075 3.460 41 H LYS 6 H LYS 6 6.407 1.322 0.604 42 HA LYS 6 HA LYS 6 8.086 3.324 1.924 43 2HB LYS 6 2HB LYS 6 8.885 2.151 -0.687 44 2HG LYS 6 2HG LYS 6 10.067 3.431 1.650 45 2HD LYS 6 2HD LYS 6 10.598 0.598 1.439 46 2HE LYS 6 2HE LYS 6 12.809 2.455 0.510 47 1HZ LYS 6 1HZ LYS 6 13.018 0.412 2.453 48 2HZ LYS 6 2HZ LYS 6 13.929 0.075 1.140 49 3HZ LYS 6 3HZ LYS 6 14.148 1.477 1.947 50 H THR 7 H THR 7 9.065 4.197 -0.799 51 HA THR 7 HA THR 7 7.141 5.132 -2.468 52 HB THR 7 HB THR 7 5.873 6.400 -0.989 53 HG1 THR 7 1HG THR 7 6.961 8.602 -0.941 54 1HG2 THR 7 1HG2 THR 7 6.642 6.180 1.187 55 2HG2 THR 7 2HG2 THR 7 8.349 6.260 0.690 56 3HG2 THR 7 3HG2 THR 7 7.398 7.756 0.855 57 H LEU 8 H LEU 8 7.865 7.221 -3.660 58 HA LEU 8 HA LEU 8 10.477 6.794 -4.493 59 2HB LEU 8 2HB LEU 8 8.254 8.412 -5.191 60 HG LEU 8 HG LEU 8 9.828 10.263 -4.215 61 1HD1 LEU 8 1HD1 LEU 8 11.762 10.770 -5.243 62 2HD1 LEU 8 2HD1 LEU 8 11.709 9.069 -5.764 63 3HD1 LEU 8 3HD1 LEU 8 11.142 10.352 -6.859 64 1HD2 LEU 8 1HD2 LEU 8 7.793 10.643 -5.554 65 2HD2 LEU 8 2HD2 LEU 8 9.079 11.817 -5.923 66 3HD2 LEU 8 3HD2 LEU 8 8.754 10.472 -7.042 67 H THR 9 H THR 9 9.238 8.385 -1.676 68 HA THR 9 HA THR 9 11.636 10.013 -1.367 69 HB THR 9 HB THR 9 10.365 10.927 0.565 70 HG1 THR 9 1HG THR 9 9.236 9.109 1.321 71 1HG2 THR 9 1HG2 THR 9 9.685 11.660 -1.817 72 2HG2 THR 9 2HG2 THR 9 8.374 10.462 -1.708 73 3HG2 THR 9 3HG2 THR 9 8.423 11.833 -0.573 74 H GLY 10 H GLY 10 10.495 6.844 -0.629 75 1HA GLY 10 1HA GLY 10 11.492 5.162 0.488 76 2HA GLY 10 2HA GLY 10 12.912 6.171 0.686 77 H LYS 11 H LYS 11 9.634 5.477 2.014 78 HA LYS 11 HA LYS 11 10.682 6.207 4.641 79 2HB LYS 11 2HB LYS 11 8.098 7.064 4.843 80 2HG LYS 11 2HG LYS 11 10.052 9.082 3.819 81 2HD LYS 11 2HD LYS 11 8.817 8.872 6.586 82 2HE LYS 11 2HE LYS 11 9.350 11.286 4.795 83 1HZ LYS 11 1HZ LYS 11 8.021 10.952 7.174 84 2HZ LYS 11 2HZ LYS 11 9.434 11.673 7.560 85 3HZ LYS 11 3HZ LYS 11 8.437 12.362 6.464 86 H THR 12 H THR 12 8.382 5.639 6.135 87 HA THR 12 HA THR 12 7.416 3.046 5.272 88 HB THR 12 HB THR 12 9.199 3.452 7.731 89 HG1 THR 12 1HG THR 12 9.261 1.805 5.299 90 1HG2 THR 12 1HG2 THR 12 7.077 1.568 7.345 91 2HG2 THR 12 2HG2 THR 12 8.591 0.695 7.008 92 3HG2 THR 12 3HG2 THR 12 8.360 1.504 8.577 93 H ILE 13 H ILE 13 5.335 2.805 5.814 94 HA ILE 13 HA ILE 13 4.381 4.426 8.067 95 HB ILE 13 HB ILE 13 2.241 4.637 6.721 96 2HG1 ILE 13 2HG1 ILE 13 4.084 3.545 4.612 97 1HG2 ILE 13 1HG2 ILE 13 4.593 6.112 5.530 98 2HG2 ILE 13 2HG2 ILE 13 2.924 6.683 5.770 99 3HG2 ILE 13 3HG2 ILE 13 3.989 6.428 7.174 100 1HD1 ILE 13 1HD1 ILE 13 2.571 1.869 4.910 101 2HD1 ILE 13 2HD1 ILE 13 1.471 2.917 5.836 102 3HD1 ILE 13 3HD1 ILE 13 1.425 2.931 4.057 103 H THR 14 H THR 14 3.351 3.271 9.616 104 HA THR 14 HA THR 14 3.024 0.442 9.182 105 HB THR 14 HB THR 14 2.730 2.387 11.511 106 HG1 THR 14 1HG THR 14 4.848 1.581 10.821 107 1HG2 THR 14 1HG2 THR 14 1.457 0.873 12.654 108 2HG2 THR 14 2HG2 THR 14 1.412 -0.192 11.227 109 3HG2 THR 14 3HG2 THR 14 2.739 -0.338 12.405 110 H LEU 15 H LEU 15 1.379 -0.184 7.894 111 HA LEU 15 HA LEU 15 -1.172 1.188 8.223 112 2HB LEU 15 2HB LEU 15 -1.276 -0.833 6.234 113 HG LEU 15 HG LEU 15 -1.106 1.236 4.666 114 1HD1 LEU 15 1HD1 LEU 15 -3.293 0.892 4.604 115 2HD1 LEU 15 2HD1 LEU 15 -3.216 0.069 6.181 116 3HD1 LEU 15 3HD1 LEU 15 -3.495 1.826 6.106 117 1HD2 LEU 15 1HD2 LEU 15 -1.936 2.912 6.955 118 2HD2 LEU 15 2HD2 LEU 15 -0.204 2.512 6.879 119 3HD2 LEU 15 3HD2 LEU 15 -0.992 3.322 5.504 120 H GLU 16 H GLU 16 -3.166 -0.356 8.096 121 HA GLU 16 HA GLU 16 -2.583 -2.716 9.699 122 2HB GLU 16 2HB GLU 16 -5.127 -1.849 10.530 123 2HG GLU 16 2HG GLU 16 -2.344 -1.888 11.681 124 H VAL 17 H VAL 17 -2.736 -3.899 7.653 125 HA VAL 17 HA VAL 17 -5.495 -4.034 6.650 126 HB VAL 17 HB VAL 17 -4.362 -4.972 4.584 127 1HG1 VAL 17 1HG1 VAL 17 -3.714 -2.684 3.757 128 2HG1 VAL 17 2HG1 VAL 17 -5.314 -2.770 4.532 129 3HG1 VAL 17 3HG1 VAL 17 -3.931 -2.087 5.419 130 1HG2 VAL 17 1HG2 VAL 17 -2.120 -5.053 4.349 131 2HG2 VAL 17 2HG2 VAL 17 -1.871 -3.517 5.214 132 3HG2 VAL 17 3HG2 VAL 17 -2.105 -5.025 6.129 133 H GLU 18 H GLU 18 -5.580 -6.410 5.386 134 HA GLU 18 HA GLU 18 -4.655 -8.301 7.405 135 2HB GLU 18 2HB GLU 18 -6.893 -9.549 6.566 136 2HG GLU 18 2HG GLU 18 -7.267 -7.257 8.506 137 HA PRO 19 HA PRO 19 -3.171 -10.593 4.034 138 2HB PRO 19 2HB PRO 19 -1.963 -11.999 5.400 139 2HG PRO 19 2HG PRO 19 -2.755 -12.156 7.560 140 2HD PRO 19 2HD PRO 19 -3.872 -10.154 7.733 141 H SER 20 H SER 20 -6.329 -10.697 4.896 142 HA SER 20 HA SER 20 -6.897 -12.470 2.653 143 2HB SER 20 2HB SER 20 -7.913 -13.398 4.597 144 HG SER 20 HG SER 20 -9.319 -10.990 5.238 145 H ASP 21 H ASP 21 -6.371 -9.329 3.158 146 HA ASP 21 HA ASP 21 -8.830 -8.316 2.072 147 2HB ASP 21 2HB ASP 21 -7.529 -6.102 2.177 148 H THR 22 H THR 22 -8.929 -7.262 -0.050 149 HA THR 22 HA THR 22 -7.082 -8.380 -1.955 150 HB THR 22 HB THR 22 -9.579 -8.231 -2.299 151 HG1 THR 22 1HG THR 22 -9.135 -7.718 -4.465 152 1HG2 THR 22 1HG2 THR 22 -9.576 -5.759 -1.259 153 2HG2 THR 22 2HG2 THR 22 -9.186 -5.297 -2.933 154 3HG2 THR 22 3HG2 THR 22 -10.693 -6.175 -2.581 155 H ILE 23 H ILE 23 -5.559 -7.346 -3.209 156 HA ILE 23 HA ILE 23 -4.034 -5.423 -2.154 157 HB ILE 23 HB ILE 23 -4.632 -5.893 -5.076 158 2HG1 ILE 23 2HG1 ILE 23 -2.417 -7.188 -4.851 159 1HG2 ILE 23 1HG2 ILE 23 -2.781 -4.034 -3.723 160 2HG2 ILE 23 2HG2 ILE 23 -2.052 -5.044 -4.995 161 3HG2 ILE 23 3HG2 ILE 23 -3.448 -4.008 -5.375 162 1HD1 ILE 23 1HD1 ILE 23 -1.723 -7.914 -2.739 163 2HD1 ILE 23 2HD1 ILE 23 -2.223 -6.247 -2.372 164 3HD1 ILE 23 3HD1 ILE 23 -3.311 -7.604 -1.997 165 H GLU 24 H GLU 24 -7.074 -4.952 -3.991 166 HA GLU 24 HA GLU 24 -6.867 -2.257 -4.402 167 2HB GLU 24 2HB GLU 24 -9.527 -3.472 -3.658 168 2HG GLU 24 2HG GLU 24 -9.137 -2.201 -6.292 169 H ASN 25 H ASN 25 -8.670 -3.903 -1.696 170 HA ASN 25 HA ASN 25 -9.314 -1.702 -0.295 171 2HB ASN 25 2HB ASN 25 -8.289 -4.101 1.240 172 1HD2 ASN 25 1HD2 ASN 25 -9.055 -1.295 1.726 173 2HD2 ASN 25 2HD2 ASN 25 -10.409 -1.323 2.805 174 H VAL 26 H VAL 26 -6.281 -3.698 -0.103 175 HA VAL 26 HA VAL 26 -5.058 -2.268 1.944 176 HB VAL 26 HB VAL 26 -3.627 -3.611 -0.341 177 1HG1 VAL 26 1HG1 VAL 26 -2.868 -3.980 2.517 178 2HG1 VAL 26 2HG1 VAL 26 -1.848 -3.817 1.069 179 3HG1 VAL 26 3HG1 VAL 26 -2.585 -2.373 1.805 180 1HG2 VAL 26 1HG2 VAL 26 -3.939 -5.628 1.450 181 2HG2 VAL 26 2HG2 VAL 26 -5.498 -4.791 1.633 182 3HG2 VAL 26 3HG2 VAL 26 -4.988 -5.382 0.034 183 H LYS 27 H LYS 27 -5.275 -1.715 -1.586 184 HA LYS 27 HA LYS 27 -3.401 0.470 -1.443 185 2HB LYS 27 2HB LYS 27 -4.721 -1.123 -3.530 186 2HG LYS 27 2HG LYS 27 -4.080 1.818 -4.044 187 2HD LYS 27 2HD LYS 27 -5.021 1.329 -6.292 188 2HE LYS 27 2HE LYS 27 -2.886 -0.746 -5.626 189 1HZ LYS 27 1HZ LYS 27 -2.748 0.894 -7.961 190 2HZ LYS 27 2HZ LYS 27 -2.518 -0.714 -7.803 191 3HZ LYS 27 3HZ LYS 27 -4.030 -0.116 -7.945 192 H ALA 28 H ALA 28 -6.646 -0.027 -0.596 193 HA ALA 28 HA ALA 28 -7.479 2.649 -1.374 194 1HB ALA 28 1HB ALA 28 -9.671 1.927 -0.765 195 2HB ALA 28 2HB ALA 28 -8.919 0.541 -1.593 196 3HB ALA 28 3HB ALA 28 -9.039 0.560 0.183 197 H LYS 29 H LYS 29 -6.994 0.613 1.588 198 HA LYS 29 HA LYS 29 -7.712 2.301 3.534 199 2HB LYS 29 2HB LYS 29 -5.297 1.276 4.475 200 2HG LYS 29 2HG LYS 29 -7.946 -0.225 4.300 201 2HD LYS 29 2HD LYS 29 -6.266 -0.062 6.779 202 2HE LYS 29 2HE LYS 29 -6.885 -2.608 6.643 203 1HZ LYS 29 1HZ LYS 29 -8.872 -0.472 6.952 204 2HZ LYS 29 2HZ LYS 29 -9.178 -2.030 7.331 205 3HZ LYS 29 3HZ LYS 29 -8.016 -1.209 8.131 206 H ILE 30 H ILE 30 -4.398 2.303 2.032 207 HA ILE 30 HA ILE 30 -3.389 4.466 3.329 208 HB ILE 30 HB ILE 30 -2.052 4.803 1.198 209 2HG1 ILE 30 2HG1 ILE 30 -3.144 4.065 -0.638 210 1HG2 ILE 30 1HG2 ILE 30 -0.626 3.099 1.780 211 2HG2 ILE 30 2HG2 ILE 30 -1.633 3.213 3.243 212 3HG2 ILE 30 3HG2 ILE 30 -1.944 1.933 2.046 213 1HD1 ILE 30 1HD1 ILE 30 -1.102 2.458 -0.102 214 2HD1 ILE 30 2HD1 ILE 30 -2.383 1.247 0.140 215 3HD1 ILE 30 3HD1 ILE 30 -2.217 2.067 -1.432 216 H GLN 31 H GLN 31 -5.229 4.518 0.195 217 HA GLN 31 HA GLN 31 -5.229 7.226 -0.105 218 2HB GLN 31 2HB GLN 31 -7.228 6.874 -1.548 219 2HG GLN 31 2HG GLN 31 -6.241 5.254 -3.079 220 1HE2 GLN 31 1HE2 GLN 31 -3.769 5.873 -0.620 221 2HE2 GLN 31 2HE2 GLN 31 -2.863 7.059 -1.500 222 H ASP 32 H ASP 32 -6.828 5.295 2.298 223 HA ASP 32 HA ASP 32 -8.869 7.253 2.766 224 2HB ASP 32 2HB ASP 32 -8.331 5.161 4.821 225 H LYS 33 H LYS 33 -5.595 6.462 3.732 226 HA LYS 33 HA LYS 33 -5.781 7.823 6.275 227 2HB LYS 33 2HB LYS 33 -3.340 7.269 6.388 228 2HG LYS 33 2HG LYS 33 -4.075 4.609 5.886 229 2HD LYS 33 2HD LYS 33 -3.321 6.055 8.056 230 2HE LYS 33 2HE LYS 33 -6.295 5.458 8.427 231 1HZ LYS 33 1HZ LYS 33 -4.180 5.518 10.267 232 2HZ LYS 33 2HZ LYS 33 -5.208 6.748 10.579 233 3HZ LYS 33 3HZ LYS 33 -5.762 5.212 10.534 234 H GLU 34 H GLU 34 -4.104 8.264 3.087 235 HA GLU 34 HA GLU 34 -3.286 10.875 3.864 236 2HB GLU 34 2HB GLU 34 -1.757 9.804 2.425 237 2HG GLU 34 2HG GLU 34 -2.966 9.141 0.022 238 H GLY 35 H GLY 35 -5.899 9.378 1.943 239 1HA GLY 35 1HA GLY 35 -7.950 10.328 1.520 240 2HA GLY 35 2HA GLY 35 -7.333 11.908 1.960 241 H ILE 36 H ILE 36 -5.461 9.855 -0.243 242 HA ILE 36 HA ILE 36 -6.266 11.640 -2.434 243 HB ILE 36 HB ILE 36 -4.144 11.991 -2.966 244 2HG1 ILE 36 2HG1 ILE 36 -3.923 9.678 -3.831 245 1HG2 ILE 36 1HG2 ILE 36 -2.500 11.679 -1.071 246 2HG2 ILE 36 2HG2 ILE 36 -3.989 12.572 -0.675 247 3HG2 ILE 36 3HG2 ILE 36 -3.812 10.872 -0.178 248 1HD1 ILE 36 1HD1 ILE 36 -1.674 9.952 -4.156 249 2HD1 ILE 36 2HD1 ILE 36 -1.920 11.481 -3.278 250 3HD1 ILE 36 3HD1 ILE 36 -1.336 10.041 -2.411 251 HA PRO 37 HA PRO 37 -7.501 8.101 -4.570 252 2HB PRO 37 2HB PRO 37 -8.645 9.348 -6.131 253 2HG PRO 37 2HG PRO 37 -7.917 11.526 -6.343 254 2HD PRO 37 2HD PRO 37 -6.961 11.841 -4.277 255 HA PRO 38 HA PRO 38 -4.029 5.818 -5.489 256 2HB PRO 38 2HB PRO 38 -4.882 3.931 -4.483 257 2HG PRO 38 2HG PRO 38 -7.172 3.935 -4.214 258 2HD PRO 38 2HD PRO 38 -7.580 6.196 -4.219 259 H ASP 39 H ASP 39 -6.317 6.803 -7.688 260 HA ASP 39 HA ASP 39 -5.606 5.416 -9.927 261 2HB ASP 39 2HB ASP 39 -6.052 8.063 -10.797 262 H GLN 40 H GLN 40 -3.797 7.678 -7.999 263 HA GLN 40 HA GLN 40 -2.018 8.271 -10.218 264 2HB GLN 40 2HB GLN 40 -0.994 9.888 -8.473 265 2HG GLN 40 2HG GLN 40 -2.412 10.767 -10.250 266 1HE2 GLN 40 1HE2 GLN 40 -4.468 9.899 -7.466 267 2HE2 GLN 40 2HE2 GLN 40 -5.875 9.444 -8.367 268 H GLN 41 H GLN 41 -1.631 7.625 -6.653 269 HA GLN 41 HA GLN 41 0.946 6.709 -6.887 270 2HB GLN 41 2HB GLN 41 0.585 5.748 -4.613 271 2HG GLN 41 2HG GLN 41 -0.616 7.925 -3.660 272 1HE2 GLN 41 1HE2 GLN 41 1.557 8.642 -6.321 273 2HE2 GLN 41 2HE2 GLN 41 3.005 8.868 -5.397 274 H ARG 42 H ARG 42 1.304 4.232 -5.785 275 HA ARG 42 HA ARG 42 -0.389 2.279 -6.794 276 2HB ARG 42 2HB ARG 42 2.180 2.065 -8.315 277 2HG ARG 42 2HG ARG 42 -0.763 1.483 -8.758 278 2HD ARG 42 2HD ARG 42 0.681 0.609 -11.042 279 HE ARG 42 HE ARG 42 -1.700 1.984 -10.540 280 1HH1 ARG 42 2HH2 ARG 42 0.901 2.246 -12.895 281 2HH1 ARG 42 1HH2 ARG 42 -0.117 2.893 -14.138 282 1HH2 ARG 42 2HH1 ARG 42 -3.044 2.836 -12.180 283 2HH2 ARG 42 1HH1 ARG 42 -2.376 3.230 -13.729 284 H LEU 43 H LEU 43 -0.074 0.739 -5.217 285 HA LEU 43 HA LEU 43 2.424 0.670 -3.803 286 2HB LEU 43 2HB LEU 43 -0.096 0.340 -3.018 287 HG LEU 43 HG LEU 43 -0.558 -1.944 -2.386 288 1HD1 LEU 43 1HD1 LEU 43 -0.660 -2.899 -4.908 289 2HD1 LEU 43 2HD1 LEU 43 -1.784 -1.679 -4.261 290 3HD1 LEU 43 3HD1 LEU 43 -0.387 -1.171 -5.241 291 1HD2 LEU 43 1HD2 LEU 43 1.379 -3.240 -4.178 292 2HD2 LEU 43 2HD2 LEU 43 2.108 -2.430 -2.770 293 3HD2 LEU 43 3HD2 LEU 43 0.856 -3.673 -2.532 294 H ILE 44 H ILE 44 3.926 -1.051 -3.746 295 HA ILE 44 HA ILE 44 3.494 -3.152 -5.732 296 HB ILE 44 HB ILE 44 5.944 -1.395 -5.544 297 2HG1 ILE 44 2HG1 ILE 44 5.294 -0.344 -7.448 298 1HG2 ILE 44 1HG2 ILE 44 6.715 -2.782 -7.508 299 2HG2 ILE 44 2HG2 ILE 44 6.729 -3.600 -5.927 300 3HG2 ILE 44 3HG2 ILE 44 5.428 -3.939 -7.095 301 1HD1 ILE 44 1HD1 ILE 44 5.238 -2.305 -8.908 302 2HD1 ILE 44 2HD1 ILE 44 3.722 -2.862 -8.160 303 3HD1 ILE 44 3HD1 ILE 44 3.737 -1.378 -9.142 304 H PHE 45 H PHE 45 5.265 -4.920 -5.431 305 HA PHE 45 HA PHE 45 6.406 -5.026 -2.808 306 2HB PHE 45 2HB PHE 45 4.198 -6.972 -3.710 307 HD1 PHE 45 1HD PHE 45 5.829 -5.699 -0.590 308 HD2 PHE 45 2HD PHE 45 4.400 -9.052 -2.764 309 HE1 PHE 45 1HE PHE 45 6.496 -7.210 1.300 310 HE2 PHE 45 2HE PHE 45 5.067 -10.563 -0.874 311 HZ PHE 45 HZ PHE 45 6.107 -9.622 1.136 312 H ALA 46 H ALA 46 8.301 -6.139 -2.966 313 HA ALA 46 HA ALA 46 9.803 -7.630 -3.642 314 1HB ALA 46 1HB ALA 46 7.988 -9.016 -5.573 315 2HB ALA 46 2HB ALA 46 9.118 -9.695 -4.377 316 3HB ALA 46 3HB ALA 46 7.537 -9.071 -3.851 317 H GLY 47 H GLY 47 7.650 -7.173 -6.542 318 1HA GLY 47 1HA GLY 47 8.948 -5.218 -7.867 319 2HA GLY 47 2HA GLY 47 9.956 -6.614 -8.194 320 H LYS 48 H LYS 48 6.417 -5.760 -8.080 321 HA LYS 48 HA LYS 48 6.105 -6.630 -10.785 322 2HB LYS 48 2HB LYS 48 6.099 -8.808 -9.669 323 2HG LYS 48 2HG LYS 48 3.566 -8.690 -8.327 324 2HD LYS 48 2HD LYS 48 5.397 -8.985 -6.315 325 2HE LYS 48 2HE LYS 48 4.916 -11.134 -8.429 326 1HZ LYS 48 1HZ LYS 48 5.207 -11.273 -5.509 327 2HZ LYS 48 2HZ LYS 48 5.025 -12.539 -6.523 328 3HZ LYS 48 3HZ LYS 48 6.387 -11.641 -6.574 329 H GLN 49 H GLN 49 3.647 -6.448 -11.380 330 HA GLN 49 HA GLN 49 2.854 -3.913 -10.351 331 2HB GLN 49 2HB GLN 49 1.816 -5.755 -12.527 332 2HG GLN 49 2HG GLN 49 0.629 -3.071 -11.674 333 1HE2 GLN 49 1HE2 GLN 49 -0.069 -2.016 -13.354 334 2HE2 GLN 49 2HE2 GLN 49 -0.687 -2.671 -14.833 335 H LEU 50 H LEU 50 2.160 -4.159 -8.197 336 HA LEU 50 HA LEU 50 0.475 -6.277 -7.397 337 2HB LEU 50 2HB LEU 50 0.142 -4.660 -5.398 338 HG LEU 50 HG LEU 50 3.059 -5.106 -5.667 339 1HD1 LEU 50 1HD1 LEU 50 2.324 -6.434 -3.462 340 2HD1 LEU 50 2HD1 LEU 50 2.574 -4.672 -3.495 341 3HD1 LEU 50 3HD1 LEU 50 0.927 -5.339 -3.607 342 1HD2 LEU 50 1HD2 LEU 50 2.290 -6.964 -7.011 343 2HD2 LEU 50 2HD2 LEU 50 2.848 -7.556 -5.428 344 3HD2 LEU 50 3HD2 LEU 50 1.106 -7.420 -5.763 345 H GLU 51 H GLU 51 -1.544 -6.580 -8.169 346 HA GLU 51 HA GLU 51 -3.195 -4.184 -8.347 347 2HB GLU 51 2HB GLU 51 -3.369 -6.574 -10.230 348 2HG GLU 51 2HG GLU 51 -5.479 -5.421 -10.171 349 H ASP 52 H ASP 52 -5.649 -4.813 -8.341 350 HA ASP 52 HA ASP 52 -6.365 -5.815 -6.027 351 2HB ASP 52 2HB ASP 52 -8.546 -6.547 -7.152 352 H GLY 53 H GLY 53 -6.718 -7.838 -9.045 353 1HA GLY 53 1HA GLY 53 -6.881 -10.108 -9.223 354 2HA GLY 53 2HA GLY 53 -5.237 -9.991 -8.629 355 H ARG 54 H ARG 54 -4.720 -10.617 -6.495 356 HA ARG 54 HA ARG 54 -6.974 -11.810 -5.093 357 2HB ARG 54 2HB ARG 54 -5.341 -13.387 -4.102 358 2HG ARG 54 2HG ARG 54 -6.219 -13.545 -6.640 359 2HD ARG 54 2HD ARG 54 -4.250 -12.207 -7.509 360 HE ARG 54 HE ARG 54 -2.710 -13.904 -5.879 361 1HH1 ARG 54 2HH2 ARG 54 -2.715 -12.917 -9.258 362 2HH1 ARG 54 1HH2 ARG 54 -1.005 -13.111 -9.449 363 1HH2 ARG 54 2HH1 ARG 54 -0.454 -14.161 -6.132 364 2HH2 ARG 54 1HH1 ARG 54 0.291 -13.824 -7.659 365 H THR 55 H THR 55 -5.572 -12.262 -2.599 366 HA THR 55 HA THR 55 -5.514 -9.511 -1.618 367 HB THR 55 HB THR 55 -5.701 -10.745 0.610 368 HG1 THR 55 1HG THR 55 -6.053 -13.081 0.309 369 1HG2 THR 55 1HG2 THR 55 -7.727 -11.691 -1.485 370 2HG2 THR 55 2HG2 THR 55 -7.986 -11.605 0.274 371 3HG2 THR 55 3HG2 THR 55 -7.800 -10.109 -0.673 372 H LEU 56 H LEU 56 -3.954 -9.697 0.629 373 HA LEU 56 HA LEU 56 -1.385 -9.444 -0.528 374 2HB LEU 56 2HB LEU 56 -0.686 -8.736 1.603 375 HG LEU 56 HG LEU 56 -3.624 -7.998 1.527 376 1HD1 LEU 56 1HD1 LEU 56 -2.196 -5.849 2.518 377 2HD1 LEU 56 2HD1 LEU 56 -3.149 -7.014 3.471 378 3HD1 LEU 56 3HD1 LEU 56 -1.397 -7.253 3.265 379 1HD2 LEU 56 1HD2 LEU 56 -1.713 -7.494 -0.443 380 2HD2 LEU 56 2HD2 LEU 56 -3.275 -6.671 -0.222 381 3HD2 LEU 56 3HD2 LEU 56 -1.800 -5.987 0.501 382 H SER 57 H SER 57 -3.057 -11.937 1.451 383 HA SER 57 HA SER 57 -0.831 -13.463 1.993 384 2HB SER 57 2HB SER 57 -2.918 -13.872 3.145 385 HG SER 57 HG SER 57 -4.681 -14.956 1.881 386 H ASP 58 H ASP 58 -3.243 -13.699 -0.717 387 HA ASP 58 HA ASP 58 -2.175 -15.873 -1.954 388 2HB ASP 58 2HB ASP 58 -3.010 -13.951 -3.955 389 H TYR 59 H TYR 59 -1.004 -12.560 -1.690 390 HA TYR 59 HA TYR 59 0.842 -12.888 -3.922 391 2HB TYR 59 2HB TYR 59 1.365 -10.446 -2.916 392 HD1 TYR 59 1HD TYR 59 -1.618 -12.256 -4.192 393 HD2 TYR 59 2HD TYR 59 0.608 -8.602 -4.234 394 HE1 TYR 59 1HE TYR 59 -3.001 -11.428 -6.158 395 HE2 TYR 59 2HE TYR 59 -0.781 -7.787 -6.201 396 HH TYR 59 HH TYR 59 -2.155 -8.483 -7.843 397 H ASN 60 H ASN 60 0.733 -13.913 -0.770 398 HA ASN 60 HA ASN 60 2.271 -14.698 0.554 399 2HB ASN 60 2HB ASN 60 4.795 -13.819 -0.553 400 1HD2 ASN 60 1HD2 ASN 60 4.663 -15.330 1.402 401 2HD2 ASN 60 2HD2 ASN 60 4.782 -17.029 1.083 402 H ILE 61 H ILE 61 1.311 -11.761 0.347 403 HA ILE 61 HA ILE 61 3.526 -10.265 1.426 404 HB ILE 61 HB ILE 61 0.682 -9.656 0.682 405 2HG1 ILE 61 2HG1 ILE 61 2.625 -9.778 -0.990 406 1HG2 ILE 61 1HG2 ILE 61 0.927 -8.431 2.707 407 2HG2 ILE 61 2HG2 ILE 61 2.572 -7.907 2.272 408 3HG2 ILE 61 3HG2 ILE 61 1.171 -7.283 1.369 409 1HD1 ILE 61 1HD1 ILE 61 1.877 -7.198 -1.674 410 2HD1 ILE 61 2HD1 ILE 61 0.947 -8.665 -2.062 411 3HD1 ILE 61 3HD1 ILE 61 0.539 -7.710 -0.617 412 H GLN 62 H GLN 62 4.104 -11.227 3.389 413 HA GLN 62 HA GLN 62 2.068 -11.833 5.278 414 2HB GLN 62 2HB GLN 62 4.204 -12.176 6.773 415 2HG GLN 62 2HG GLN 62 4.314 -13.922 4.328 416 1HE2 GLN 62 1HE2 GLN 62 2.539 -15.371 6.635 417 2HE2 GLN 62 2HE2 GLN 62 3.764 -16.116 7.608 418 H LYS 63 H LYS 63 3.030 -11.006 7.741 419 HA LYS 63 HA LYS 63 2.269 -8.264 7.713 420 2HB LYS 63 2HB LYS 63 2.690 -10.400 9.687 421 2HG LYS 63 2HG LYS 63 3.164 -7.484 10.466 422 2HD LYS 63 2HD LYS 63 2.807 -10.071 12.013 423 2HE LYS 63 2HE LYS 63 4.037 -7.539 13.177 424 1HZ LYS 63 1HZ LYS 63 4.716 -9.728 14.584 425 2HZ LYS 63 2HZ LYS 63 3.513 -8.694 14.972 426 3HZ LYS 63 3HZ LYS 63 3.177 -10.063 14.149 427 H GLU 64 H GLU 64 3.595 -6.528 8.807 428 HA GLU 64 HA GLU 64 5.350 -5.249 8.788 429 2HB GLU 64 2HB GLU 64 7.580 -6.305 9.424 430 2HG GLU 64 2HG GLU 64 6.562 -7.400 11.590 431 H SER 65 H SER 65 4.389 -6.177 6.221 432 HA SER 65 HA SER 65 6.680 -6.832 4.668 433 2HB SER 65 2HB SER 65 4.049 -7.317 4.323 434 HG SER 65 HG SER 65 3.173 -5.958 2.734 435 H THR 66 H THR 66 7.174 -5.423 2.624 436 HA THR 66 HA THR 66 6.854 -2.570 3.251 437 HB THR 66 HB THR 66 9.453 -3.915 2.348 438 HG1 THR 66 1HG THR 66 8.352 -2.986 4.905 439 1HG2 THR 66 1HG2 THR 66 9.382 -1.498 1.833 440 2HG2 THR 66 2HG2 THR 66 8.764 -1.146 3.465 441 3HG2 THR 66 3HG2 THR 66 10.422 -1.758 3.255 442 H LEU 67 H LEU 67 5.418 -2.003 1.696 443 HA LEU 67 HA LEU 67 5.770 -3.081 -0.965 444 2HB LEU 67 2HB LEU 67 3.698 -1.879 -1.452 445 HG LEU 67 HG LEU 67 2.194 -3.189 -0.306 446 1HD1 LEU 67 1HD1 LEU 67 4.423 -4.421 -1.155 447 2HD1 LEU 67 2HD1 LEU 67 4.453 -4.911 0.556 448 3HD1 LEU 67 3HD1 LEU 67 3.034 -5.284 -0.451 449 1HD2 LEU 67 1HD2 LEU 67 2.681 -2.084 1.898 450 2HD2 LEU 67 2HD2 LEU 67 2.264 -3.811 1.991 451 3HD2 LEU 67 3HD2 LEU 67 3.961 -3.296 2.149 452 H HIS 68 H HIS 68 5.809 -1.573 -2.874 453 HA HIS 68 HA HIS 68 7.482 0.734 -2.198 454 2HB HIS 68 2HB HIS 68 8.206 0.406 -4.681 455 HD1 HIS 68 1HD HIS 68 10.560 0.760 -3.844 456 HD2 HIS 68 2HD HIS 68 8.828 -2.755 -2.346 457 HE1 HIS 68 1HE HIS 68 12.413 -0.476 -2.599 458 H LEU 69 H LEU 69 6.647 2.721 -2.607 459 HA LEU 69 HA LEU 69 4.110 2.838 -3.982 460 2HB LEU 69 2HB LEU 69 5.063 5.408 -3.242 461 HG LEU 69 HG LEU 69 3.111 3.611 -1.776 462 1HD1 LEU 69 1HD1 LEU 69 3.578 5.257 -0.232 463 2HD1 LEU 69 2HD1 LEU 69 3.875 6.497 -1.475 464 3HD1 LEU 69 3HD1 LEU 69 2.211 5.973 -1.118 465 1HD2 LEU 69 1HD2 LEU 69 2.664 5.632 -3.985 466 2HD2 LEU 69 2HD2 LEU 69 2.367 3.879 -4.043 467 3HD2 LEU 69 3HD2 LEU 69 1.373 4.916 -2.993 468 H VAL 70 H VAL 70 4.391 5.515 -5.049 469 HA VAL 70 HA VAL 70 6.512 5.253 -7.020 470 HB VAL 70 HB VAL 70 4.656 5.852 -8.755 471 1HG1 VAL 70 1HG1 VAL 70 4.270 3.336 -9.104 472 2HG1 VAL 70 2HG1 VAL 70 5.952 3.916 -9.101 473 3HG1 VAL 70 3HG1 VAL 70 5.289 3.105 -7.662 474 1HG2 VAL 70 1HG2 VAL 70 2.801 6.047 -7.185 475 2HG2 VAL 70 2HG2 VAL 70 2.511 4.702 -8.314 476 3HG2 VAL 70 3HG2 VAL 70 3.047 4.368 -6.649 477 H LEU 71 H LEU 71 6.462 7.333 -8.478 478 HA LEU 71 HA LEU 71 6.939 9.503 -6.943 479 2HB LEU 71 2HB LEU 71 7.670 9.500 -9.158 480 HG LEU 71 HG LEU 71 5.907 9.938 -11.037 481 1HD1 LEU 71 1HD1 LEU 71 6.615 7.984 -11.837 482 2HD1 LEU 71 2HD1 LEU 71 7.448 7.764 -10.279 483 3HD1 LEU 71 3HD1 LEU 71 5.828 7.068 -10.528 484 1HD2 LEU 71 1HD2 LEU 71 3.979 9.929 -9.441 485 2HD2 LEU 71 2HD2 LEU 71 3.808 8.814 -10.817 486 3HD2 LEU 71 3HD2 LEU 71 4.247 8.184 -9.211 487 H ARG 72 H ARG 72 5.732 11.612 -6.747 488 HA ARG 72 HA ARG 72 2.967 10.962 -6.145 489 2HB ARG 72 2HB ARG 72 3.243 13.266 -4.822 490 2HG ARG 72 2HG ARG 72 4.926 11.322 -3.409 491 2HD ARG 72 2HD ARG 72 2.317 11.278 -2.358 492 HE ARG 72 HE ARG 72 4.833 12.209 -1.529 493 1HH1 ARG 72 2HH2 ARG 72 1.489 13.239 -1.151 494 2HH1 ARG 72 1HH2 ARG 72 1.762 13.996 0.383 495 1HH2 ARG 72 2HH1 ARG 72 5.193 13.209 0.494 496 2HH2 ARG 72 1HH1 ARG 72 3.884 13.978 1.325 497 H LEU 73 H LEU 73 1.481 13.085 -6.280 498 HA LEU 73 HA LEU 73 1.363 13.819 -8.956 499 2HB LEU 73 2HB LEU 73 -0.258 15.562 -8.070 500 HG LEU 73 HG LEU 73 -1.978 14.024 -7.370 501 1HD1 LEU 73 1HD1 LEU 73 -0.472 13.767 -9.758 502 2HD1 LEU 73 2HD1 LEU 73 -0.951 12.128 -9.253 503 3HD1 LEU 73 3HD1 LEU 73 -2.188 13.387 -9.481 504 1HD2 LEU 73 1HD2 LEU 73 -0.386 12.751 -5.808 505 2HD2 LEU 73 2HD2 LEU 73 -1.658 11.826 -6.641 506 3HD2 LEU 73 3HD2 LEU 73 0.019 11.769 -7.236 507 H ARG 74 H ARG 74 1.013 16.542 -9.180 508 HA ARG 74 HA ARG 74 3.601 17.380 -9.529 509 2HB ARG 74 2HB ARG 74 2.294 19.757 -9.536 510 2HG ARG 74 2HG ARG 74 3.196 18.384 -11.519 511 2HD ARG 74 2HD ARG 74 1.523 16.462 -11.083 512 HE ARG 74 HE ARG 74 -0.688 17.218 -11.115 513 1HH1 ARG 74 2HH2 ARG 74 1.082 18.772 -13.729 514 2HH1 ARG 74 1HH2 ARG 74 -0.323 19.530 -14.401 515 1HH2 ARG 74 2HH1 ARG 74 -2.542 18.218 -12.001 516 2HH2 ARG 74 1HH1 ARG 74 -2.398 19.213 -13.412 517 H GLY 75 H GLY 75 5.088 17.827 -7.931 518 1HA GLY 75 1HA GLY 75 4.142 19.367 -5.591 519 2HA GLY 75 2HA GLY 75 5.182 17.967 -5.418 520 H GLY 76 H GLY 76 6.922 19.178 -4.493 521 1HA GLY 76 1HA GLY 76 8.123 21.236 -6.221 522 2HA GLY 76 2HA GLY 76 8.406 21.013 -4.506 Start of MODEL 3 1 1H MET 1 1H MET 1 -3.634 -7.211 11.824 2 HA MET 1 HA MET 1 -0.916 -8.168 11.707 3 2HB MET 1 2HB MET 1 -1.310 -7.677 9.188 4 2HG MET 1 2HG MET 1 -1.923 -9.895 10.579 5 1HE MET 1 1HE MET 1 -3.066 -10.201 12.225 6 2HE MET 1 2HE MET 1 -4.608 -9.421 12.651 7 3HE MET 1 3HE MET 1 -4.596 -11.083 12.014 8 H GLN 2 H GLN 2 0.571 -6.778 10.113 9 HA GLN 2 HA GLN 2 0.116 -4.009 10.119 10 2HB GLN 2 2HB GLN 2 2.553 -4.427 11.732 11 2HG GLN 2 2HG GLN 2 0.082 -2.654 11.825 12 1HE2 GLN 2 1HE2 GLN 2 3.365 -2.491 13.149 13 2HE2 GLN 2 2HE2 GLN 2 2.932 -2.170 14.795 14 H ILE 3 H ILE 3 1.361 -3.083 8.496 15 HA ILE 3 HA ILE 3 3.761 -4.530 7.677 16 HB ILE 3 HB ILE 3 3.070 -4.301 5.309 17 2HG1 ILE 3 2HG1 ILE 3 1.307 -2.514 5.875 18 1HG2 ILE 3 1HG2 ILE 3 2.700 -6.349 6.940 19 2HG2 ILE 3 2HG2 ILE 3 0.985 -5.996 6.616 20 3HG2 ILE 3 3HG2 ILE 3 2.088 -6.364 5.269 21 1HD1 ILE 3 1HD1 ILE 3 1.317 -4.660 3.850 22 2HD1 ILE 3 2HD1 ILE 3 -0.300 -3.966 4.119 23 3HD1 ILE 3 3HD1 ILE 3 1.055 -2.911 3.647 24 H PHE 4 H PHE 4 4.559 -2.985 5.558 25 HA PHE 4 HA PHE 4 4.414 -0.237 6.548 26 2HB PHE 4 2HB PHE 4 6.903 -0.130 6.245 27 HD1 PHE 4 1HD PHE 4 7.383 -3.508 7.110 28 HD2 PHE 4 2HD PHE 4 5.961 0.172 8.677 29 HE1 PHE 4 1HE PHE 4 7.756 -4.357 9.442 30 HE2 PHE 4 2HE PHE 4 6.334 -0.678 11.009 31 HZ PHE 4 HZ PHE 4 7.226 -2.932 11.364 32 H VAL 5 H VAL 5 4.841 1.396 4.926 33 HA VAL 5 HA VAL 5 4.761 0.319 2.193 34 HB VAL 5 HB VAL 5 3.332 2.728 3.336 35 1HG1 VAL 5 1HG1 VAL 5 2.282 2.226 0.824 36 2HG1 VAL 5 2HG1 VAL 5 3.434 3.518 1.238 37 3HG1 VAL 5 3HG1 VAL 5 4.028 1.969 0.591 38 1HG2 VAL 5 1HG2 VAL 5 2.118 0.210 2.165 39 2HG2 VAL 5 2HG2 VAL 5 2.400 0.443 3.907 40 3HG2 VAL 5 3HG2 VAL 5 1.293 1.529 3.032 41 H LYS 6 H LYS 6 6.005 1.420 0.618 42 HA LYS 6 HA LYS 6 7.725 3.538 1.695 43 2HB LYS 6 2HB LYS 6 9.355 2.248 -0.094 44 2HG LYS 6 2HG LYS 6 9.134 1.570 2.873 45 2HD LYS 6 2HD LYS 6 11.120 1.099 0.763 46 2HE LYS 6 2HE LYS 6 12.746 1.764 3.021 47 1HZ LYS 6 1HZ LYS 6 12.667 3.455 0.678 48 2HZ LYS 6 2HZ LYS 6 13.946 2.756 1.415 49 3HZ LYS 6 3HZ LYS 6 12.986 1.872 0.434 50 H THR 7 H THR 7 8.635 4.968 -0.009 51 HA THR 7 HA THR 7 7.255 4.828 -2.570 52 HB THR 7 HB THR 7 5.831 6.566 -2.130 53 HG1 THR 7 1HG THR 7 6.870 8.510 -1.073 54 1HG2 THR 7 1HG2 THR 7 5.512 7.268 0.254 55 2HG2 THR 7 2HG2 THR 7 5.574 5.495 0.110 56 3HG2 THR 7 3HG2 THR 7 6.995 6.389 0.699 57 H LEU 8 H LEU 8 8.005 7.198 -3.685 58 HA LEU 8 HA LEU 8 10.692 6.705 -4.259 59 2HB LEU 8 2HB LEU 8 9.814 7.751 -6.013 60 HG LEU 8 HG LEU 8 7.551 8.033 -5.305 61 1HD1 LEU 8 1HD1 LEU 8 8.581 9.183 -3.029 62 2HD1 LEU 8 2HD1 LEU 8 7.825 10.567 -3.856 63 3HD1 LEU 8 3HD1 LEU 8 6.860 9.119 -3.480 64 1HD2 LEU 8 1HD2 LEU 8 6.953 10.119 -6.351 65 2HD2 LEU 8 2HD2 LEU 8 8.588 10.770 -6.088 66 3HD2 LEU 8 3HD2 LEU 8 8.341 9.414 -7.213 67 H THR 9 H THR 9 9.247 8.115 -1.513 68 HA THR 9 HA THR 9 11.512 9.879 -0.991 69 HB THR 9 HB THR 9 9.066 10.540 -0.608 70 HG1 THR 9 1HG THR 9 10.797 10.255 1.744 71 1HG2 THR 9 1HG2 THR 9 8.657 8.132 0.535 72 2HG2 THR 9 2HG2 THR 9 9.255 8.985 1.977 73 3HG2 THR 9 3HG2 THR 9 7.809 9.581 1.127 74 H GLY 10 H GLY 10 10.314 6.663 -0.248 75 1HA GLY 10 1HA GLY 10 11.410 4.971 0.784 76 2HA GLY 10 2HA GLY 10 12.766 6.036 1.098 77 H LYS 11 H LYS 11 9.251 6.072 2.053 78 HA LYS 11 HA LYS 11 10.174 6.446 4.815 79 2HB LYS 11 2HB LYS 11 8.955 8.366 3.853 80 2HG LYS 11 2HG LYS 11 7.107 6.217 3.041 81 2HD LYS 11 2HD LYS 11 6.089 7.590 5.174 82 2HE LYS 11 2HE LYS 11 4.408 9.133 3.604 83 1HZ LYS 11 1HZ LYS 11 6.452 10.758 4.437 84 2HZ LYS 11 2HZ LYS 11 5.066 10.430 5.237 85 3HZ LYS 11 3HZ LYS 11 6.403 9.538 5.522 86 H THR 12 H THR 12 8.563 5.538 6.485 87 HA THR 12 HA THR 12 7.318 3.079 5.473 88 HB THR 12 HB THR 12 9.549 3.429 7.476 89 HG1 THR 12 1HG THR 12 9.864 2.437 5.379 90 1HG2 THR 12 1HG2 THR 12 8.901 1.068 8.308 91 2HG2 THR 12 2HG2 THR 12 7.931 2.407 8.965 92 3HG2 THR 12 3HG2 THR 12 7.277 1.392 7.657 93 H ILE 13 H ILE 13 5.262 2.863 6.090 94 HA ILE 13 HA ILE 13 4.461 4.374 8.479 95 HB ILE 13 HB ILE 13 2.205 4.486 7.282 96 2HG1 ILE 13 2HG1 ILE 13 4.001 3.727 4.972 97 1HG2 ILE 13 1HG2 ILE 13 3.859 6.362 7.713 98 2HG2 ILE 13 2HG2 ILE 13 4.410 6.135 6.036 99 3HG2 ILE 13 3HG2 ILE 13 2.723 6.598 6.364 100 1HD1 ILE 13 1HD1 ILE 13 1.449 2.619 4.703 101 2HD1 ILE 13 2HD1 ILE 13 2.891 1.770 5.308 102 3HD1 ILE 13 3HD1 ILE 13 1.756 2.524 6.454 103 H THR 14 H THR 14 3.514 3.205 10.081 104 HA THR 14 HA THR 14 3.279 0.360 9.671 105 HB THR 14 HB THR 14 3.197 2.326 11.974 106 HG1 THR 14 1HG THR 14 4.422 -0.285 11.434 107 1HG2 THR 14 1HG2 THR 14 1.703 1.012 13.120 108 2HG2 THR 14 2HG2 THR 14 1.710 -0.227 11.842 109 3HG2 THR 14 3HG2 THR 14 2.970 -0.238 13.100 110 H LEU 15 H LEU 15 1.605 -0.028 8.229 111 HA LEU 15 HA LEU 15 -1.013 0.984 9.063 112 2HB LEU 15 2HB LEU 15 -1.029 -0.389 6.544 113 HG LEU 15 HG LEU 15 -1.895 2.176 7.618 114 1HD1 LEU 15 1HD1 LEU 15 -0.251 3.227 6.268 115 2HD1 LEU 15 2HD1 LEU 15 -0.595 2.157 4.888 116 3HD1 LEU 15 3HD1 LEU 15 -1.797 3.368 5.397 117 1HD2 LEU 15 1HD2 LEU 15 -3.746 1.854 6.202 118 2HD2 LEU 15 2HD2 LEU 15 -2.831 0.792 5.103 119 3HD2 LEU 15 3HD2 LEU 15 -3.270 0.223 6.732 120 H GLU 16 H GLU 16 -2.864 -0.676 8.573 121 HA GLU 16 HA GLU 16 -1.927 -3.324 9.339 122 2HB GLU 16 2HB GLU 16 -2.722 -2.341 11.400 123 2HG GLU 16 2HG GLU 16 -4.716 -1.117 9.605 124 H VAL 17 H VAL 17 -2.739 -4.921 8.035 125 HA VAL 17 HA VAL 17 -5.340 -4.528 6.816 126 HB VAL 17 HB VAL 17 -4.218 -5.285 4.598 127 1HG1 VAL 17 1HG1 VAL 17 -5.024 -2.806 5.653 128 2HG1 VAL 17 2HG1 VAL 17 -3.480 -2.491 4.828 129 3HG1 VAL 17 3HG1 VAL 17 -4.827 -3.240 3.939 130 1HG2 VAL 17 1HG2 VAL 17 -1.928 -5.227 6.092 131 2HG2 VAL 17 2HG2 VAL 17 -1.988 -5.094 4.318 132 3HG2 VAL 17 3HG2 VAL 17 -1.884 -3.624 5.318 133 H GLU 18 H GLU 18 -6.240 -6.555 5.990 134 HA GLU 18 HA GLU 18 -5.173 -8.753 7.503 135 2HB GLU 18 2HB GLU 18 -7.397 -9.759 6.249 136 2HG GLU 18 2HG GLU 18 -7.459 -7.920 8.686 137 HA PRO 19 HA PRO 19 -3.428 -10.738 4.060 138 2HB PRO 19 2HB PRO 19 -2.241 -12.188 5.396 139 2HG PRO 19 2HG PRO 19 -3.118 -12.490 7.508 140 2HD PRO 19 2HD PRO 19 -4.297 -10.530 7.744 141 H SER 20 H SER 20 -6.621 -11.033 4.817 142 HA SER 20 HA SER 20 -7.047 -12.692 2.462 143 2HB SER 20 2HB SER 20 -9.275 -13.165 3.369 144 HG SER 20 HG SER 20 -8.472 -13.810 5.698 145 H ASP 21 H ASP 21 -6.627 -9.547 3.147 146 HA ASP 21 HA ASP 21 -9.026 -8.549 1.925 147 2HB ASP 21 2HB ASP 21 -7.730 -6.313 2.190 148 H THR 22 H THR 22 -8.901 -7.186 -0.082 149 HA THR 22 HA THR 22 -7.044 -8.298 -1.977 150 HB THR 22 HB THR 22 -9.466 -7.882 -2.478 151 HG1 THR 22 1HG THR 22 -8.827 -7.150 -4.525 152 1HG2 THR 22 1HG2 THR 22 -8.995 -5.366 -1.245 153 2HG2 THR 22 2HG2 THR 22 -9.134 -5.011 -2.984 154 3HG2 THR 22 3HG2 THR 22 -10.457 -5.848 -2.138 155 H ILE 23 H ILE 23 -5.913 -6.780 -3.571 156 HA ILE 23 HA ILE 23 -4.179 -5.140 -1.996 157 HB ILE 23 HB ILE 23 -4.232 -5.519 -4.988 158 2HG1 ILE 23 2HG1 ILE 23 -3.083 -7.501 -4.827 159 1HG2 ILE 23 1HG2 ILE 23 -2.163 -4.532 -3.026 160 2HG2 ILE 23 2HG2 ILE 23 -1.732 -5.140 -4.643 161 3HG2 ILE 23 3HG2 ILE 23 -2.803 -3.726 -4.478 162 1HD1 ILE 23 1HD1 ILE 23 -2.233 -6.475 -2.109 163 2HD1 ILE 23 2HD1 ILE 23 -2.160 -8.219 -2.460 164 3HD1 ILE 23 3HD1 ILE 23 -1.226 -7.071 -3.449 165 H GLU 24 H GLU 24 -7.252 -4.668 -3.237 166 HA GLU 24 HA GLU 24 -6.752 -1.959 -4.081 167 2HB GLU 24 2HB GLU 24 -9.532 -3.072 -3.802 168 2HG GLU 24 2HG GLU 24 -8.084 -1.021 -5.352 169 H ASN 25 H ASN 25 -7.648 -3.769 -1.237 170 HA ASN 25 HA ASN 25 -8.966 -1.521 -0.038 171 2HB ASN 25 2HB ASN 25 -8.959 -3.130 2.007 172 1HD2 ASN 25 1HD2 ASN 25 -9.642 -3.275 -1.419 173 2HD2 ASN 25 2HD2 ASN 25 -11.281 -3.829 -1.322 174 H VAL 26 H VAL 26 -5.864 -3.328 0.014 175 HA VAL 26 HA VAL 26 -4.824 -2.063 2.324 176 HB VAL 26 HB VAL 26 -3.231 -3.286 0.079 177 1HG1 VAL 26 1HG1 VAL 26 -2.363 -2.153 2.359 178 2HG1 VAL 26 2HG1 VAL 26 -2.667 -3.802 2.957 179 3HG1 VAL 26 3HG1 VAL 26 -1.552 -3.541 1.595 180 1HG2 VAL 26 1HG2 VAL 26 -4.336 -5.213 0.288 181 2HG2 VAL 26 2HG2 VAL 26 -3.784 -5.297 1.979 182 3HG2 VAL 26 3HG2 VAL 26 -5.350 -4.546 1.591 183 H LYS 27 H LYS 27 -4.639 -1.452 -1.225 184 HA LYS 27 HA LYS 27 -2.901 0.799 -0.821 185 2HB LYS 27 2HB LYS 27 -3.214 -0.913 -2.870 186 2HG LYS 27 2HG LYS 27 -4.891 1.551 -3.540 187 2HD LYS 27 2HD LYS 27 -3.722 1.249 -5.542 188 2HE LYS 27 2HE LYS 27 -3.582 -1.705 -4.792 189 1HZ LYS 27 1HZ LYS 27 -3.517 -0.514 -7.319 190 2HZ LYS 27 2HZ LYS 27 -2.036 -1.112 -6.980 191 3HZ LYS 27 3HZ LYS 27 -3.343 -2.090 -6.930 192 H ALA 28 H ALA 28 -6.174 0.208 -0.280 193 HA ALA 28 HA ALA 28 -7.047 2.835 -1.162 194 1HB ALA 28 1HB ALA 28 -8.340 0.313 -0.139 195 2HB ALA 28 2HB ALA 28 -9.221 1.855 -0.015 196 3HB ALA 28 3HB ALA 28 -8.695 1.256 -1.606 197 H LYS 29 H LYS 29 -6.556 0.906 1.858 198 HA LYS 29 HA LYS 29 -7.513 2.597 3.722 199 2HB LYS 29 2HB LYS 29 -4.969 1.634 4.638 200 2HG LYS 29 2HG LYS 29 -7.780 0.478 4.945 201 2HD LYS 29 2HD LYS 29 -5.625 0.474 7.062 202 2HE LYS 29 2HE LYS 29 -8.117 -0.298 7.323 203 1HZ LYS 29 1HZ LYS 29 -7.176 -2.837 6.333 204 2HZ LYS 29 2HZ LYS 29 -8.688 -2.222 6.353 205 3HZ LYS 29 3HZ LYS 29 -7.630 -1.748 5.204 206 H ILE 30 H ILE 30 -4.345 2.855 2.005 207 HA ILE 30 HA ILE 30 -3.412 5.056 3.432 208 HB ILE 30 HB ILE 30 -2.061 5.414 1.283 209 2HG1 ILE 30 2HG1 ILE 30 -3.844 4.156 -0.095 210 1HG2 ILE 30 1HG2 ILE 30 -1.552 4.016 3.450 211 2HG2 ILE 30 2HG2 ILE 30 -1.708 2.634 2.338 212 3HG2 ILE 30 3HG2 ILE 30 -0.499 3.901 2.019 213 1HD1 ILE 30 1HD1 ILE 30 -2.154 3.366 -1.670 214 2HD1 ILE 30 2HD1 ILE 30 -1.565 4.870 -0.920 215 3HD1 ILE 30 3HD1 ILE 30 -0.929 3.297 -0.380 216 H GLN 31 H GLN 31 -5.534 4.781 0.537 217 HA GLN 31 HA GLN 31 -5.555 7.448 -0.113 218 2HB GLN 31 2HB GLN 31 -7.619 6.945 -1.340 219 2HG GLN 31 2HG GLN 31 -6.881 4.996 -2.623 220 1HE2 GLN 31 1HE2 GLN 31 -4.208 5.978 -0.503 221 2HE2 GLN 31 2HE2 GLN 31 -3.316 6.893 -1.673 222 H ASP 32 H ASP 32 -6.744 5.874 2.710 223 HA ASP 32 HA ASP 32 -8.799 7.828 3.160 224 2HB ASP 32 2HB ASP 32 -7.976 6.091 5.421 225 H LYS 33 H LYS 33 -5.404 7.249 3.778 226 HA LYS 33 HA LYS 33 -5.333 8.982 6.100 227 2HB LYS 33 2HB LYS 33 -2.906 8.417 6.081 228 2HG LYS 33 2HG LYS 33 -3.688 5.709 6.003 229 2HD LYS 33 2HD LYS 33 -4.384 6.570 8.554 230 2HE LYS 33 2HE LYS 33 -1.738 5.859 7.249 231 1HZ LYS 33 1HZ LYS 33 -1.179 5.631 9.764 232 2HZ LYS 33 2HZ LYS 33 -0.895 7.030 8.970 233 3HZ LYS 33 3HZ LYS 33 -2.217 6.882 9.916 234 H GLU 34 H GLU 34 -3.997 8.862 2.728 235 HA GLU 34 HA GLU 34 -3.114 11.554 2.965 236 2HB GLU 34 2HB GLU 34 -1.750 10.213 1.578 237 2HG GLU 34 2HG GLU 34 -3.304 9.275 -0.565 238 H GLY 35 H GLY 35 -5.925 9.799 1.642 239 1HA GLY 35 1HA GLY 35 -8.001 10.664 1.231 240 2HA GLY 35 2HA GLY 35 -7.380 12.292 1.417 241 H ILE 36 H ILE 36 -5.737 9.931 -0.684 242 HA ILE 36 HA ILE 36 -6.757 11.430 -2.996 243 HB ILE 36 HB ILE 36 -4.705 11.780 -3.751 244 2HG1 ILE 36 2HG1 ILE 36 -4.486 9.387 -4.365 245 1HG2 ILE 36 1HG2 ILE 36 -4.089 11.004 -0.895 246 2HG2 ILE 36 2HG2 ILE 36 -2.881 11.715 -1.993 247 3HG2 ILE 36 3HG2 ILE 36 -4.350 12.629 -1.572 248 1HD1 ILE 36 1HD1 ILE 36 -1.807 10.090 -3.219 249 2HD1 ILE 36 2HD1 ILE 36 -2.242 9.597 -4.873 250 3HD1 ILE 36 3HD1 ILE 36 -2.539 11.268 -4.335 251 HA PRO 37 HA PRO 37 -8.021 7.611 -4.556 252 2HB PRO 37 2HB PRO 37 -9.302 8.611 -6.187 253 2HG PRO 37 2HG PRO 37 -8.649 10.751 -6.747 254 2HD PRO 37 2HD PRO 37 -7.564 11.365 -4.816 255 HA PRO 38 HA PRO 38 -4.567 5.277 -5.404 256 2HB PRO 38 2HB PRO 38 -5.316 3.521 -4.118 257 2HG PRO 38 2HG PRO 38 -7.586 3.525 -3.710 258 2HD PRO 38 2HD PRO 38 -8.044 5.763 -3.975 259 H ASP 39 H ASP 39 -7.198 5.588 -7.544 260 HA ASP 39 HA ASP 39 -6.535 4.056 -9.617 261 2HB ASP 39 2HB ASP 39 -7.050 6.699 -10.671 262 H GLN 40 H GLN 40 -4.794 6.854 -8.310 263 HA GLN 40 HA GLN 40 -3.112 6.984 -10.659 264 2HB GLN 40 2HB GLN 40 -2.071 8.943 -9.310 265 2HG GLN 40 2HG GLN 40 -3.639 9.339 -11.174 266 1HE2 GLN 40 1HE2 GLN 40 -5.326 8.966 -8.062 267 2HE2 GLN 40 2HE2 GLN 40 -6.847 8.435 -8.697 268 H GLN 41 H GLN 41 -2.544 7.024 -7.059 269 HA GLN 41 HA GLN 41 0.063 6.257 -7.187 270 2HB GLN 41 2HB GLN 41 -0.240 5.531 -4.810 271 2HG GLN 41 2HG GLN 41 -1.657 7.733 -4.171 272 1HE2 GLN 41 1HE2 GLN 41 -0.236 8.640 -2.915 273 2HE2 GLN 41 2HE2 GLN 41 1.446 8.901 -3.234 274 H ARG 42 H ARG 42 1.091 4.136 -6.538 275 HA ARG 42 HA ARG 42 -0.542 1.834 -6.958 276 2HB ARG 42 2HB ARG 42 1.893 2.176 -8.762 277 2HG ARG 42 2HG ARG 42 -0.521 0.546 -9.477 278 2HD ARG 42 2HD ARG 42 1.808 -0.973 -9.761 279 HE ARG 42 HE ARG 42 0.560 -0.874 -11.749 280 1HH1 ARG 42 2HH2 ARG 42 1.631 2.361 -10.869 281 2HH1 ARG 42 1HH2 ARG 42 1.129 3.073 -12.365 282 1HH2 ARG 42 2HH1 ARG 42 -0.102 0.066 -13.725 283 2HH2 ARG 42 1HH1 ARG 42 0.136 1.758 -14.001 284 H LEU 43 H LEU 43 0.151 0.356 -5.440 285 HA LEU 43 HA LEU 43 2.732 0.786 -4.215 286 2HB LEU 43 2HB LEU 43 1.872 -1.149 -2.761 287 HG LEU 43 HG LEU 43 0.055 0.298 -1.662 288 1HD1 LEU 43 1HD1 LEU 43 1.872 0.564 -0.393 289 2HD1 LEU 43 2HD1 LEU 43 2.957 0.652 -1.800 290 3HD1 LEU 43 3HD1 LEU 43 2.092 2.108 -1.252 291 1HD2 LEU 43 1HD2 LEU 43 -0.195 2.556 -2.310 292 2HD2 LEU 43 2HD2 LEU 43 1.147 2.454 -3.475 293 3HD2 LEU 43 3HD2 LEU 43 -0.378 1.595 -3.798 294 H ILE 44 H ILE 44 4.412 -0.799 -4.097 295 HA ILE 44 HA ILE 44 4.153 -2.915 -6.115 296 HB ILE 44 HB ILE 44 6.624 -1.260 -5.596 297 2HG1 ILE 44 2HG1 ILE 44 6.095 0.171 -7.271 298 1HG2 ILE 44 1HG2 ILE 44 6.009 -3.268 -7.782 299 2HG2 ILE 44 2HG2 ILE 44 7.523 -2.358 -7.559 300 3HG2 ILE 44 3HG2 ILE 44 7.030 -3.573 -6.355 301 1HD1 ILE 44 1HD1 ILE 44 4.464 -2.097 -8.497 302 2HD1 ILE 44 2HD1 ILE 44 4.526 -0.450 -9.169 303 3HD1 ILE 44 3HD1 ILE 44 6.006 -1.436 -9.093 304 H PHE 45 H PHE 45 5.386 -4.861 -5.672 305 HA PHE 45 HA PHE 45 6.595 -5.029 -3.049 306 2HB PHE 45 2HB PHE 45 4.288 -6.826 -4.003 307 HD1 PHE 45 1HD PHE 45 4.267 -8.876 -2.972 308 HD2 PHE 45 2HD PHE 45 5.914 -5.577 -0.872 309 HE1 PHE 45 1HE PHE 45 4.760 -10.368 -1.015 310 HE2 PHE 45 2HE PHE 45 6.408 -7.069 1.086 311 HZ PHE 45 HZ PHE 45 5.825 -9.446 0.991 312 H ALA 46 H ALA 46 8.483 -6.109 -3.335 313 HA ALA 46 HA ALA 46 9.960 -7.589 -4.063 314 1HB ALA 46 1HB ALA 46 7.832 -9.116 -3.699 315 2HB ALA 46 2HB ALA 46 7.854 -9.213 -5.477 316 3HB ALA 46 3HB ALA 46 9.266 -9.757 -4.538 317 H GLY 47 H GLY 47 8.778 -5.258 -5.696 318 1HA GLY 47 1HA GLY 47 9.505 -4.286 -7.618 319 2HA GLY 47 2HA GLY 47 10.343 -5.760 -8.060 320 H LYS 48 H LYS 48 7.261 -6.746 -7.180 321 HA LYS 48 HA LYS 48 6.464 -6.835 -9.980 322 2HB LYS 48 2HB LYS 48 6.618 -8.852 -8.296 323 2HG LYS 48 2HG LYS 48 3.696 -8.397 -7.927 324 2HD LYS 48 2HD LYS 48 4.654 -9.193 -5.523 325 2HE LYS 48 2HE LYS 48 3.852 -10.625 -8.011 326 1HZ LYS 48 1HZ LYS 48 5.845 -11.820 -7.174 327 2HZ LYS 48 2HZ LYS 48 5.037 -12.125 -5.788 328 3HZ LYS 48 3HZ LYS 48 4.479 -12.716 -7.205 329 H GLN 49 H GLN 49 4.273 -6.269 -10.630 330 HA GLN 49 HA GLN 49 3.448 -3.906 -9.283 331 2HB GLN 49 2HB GLN 49 2.368 -5.377 -11.724 332 2HG GLN 49 2HG GLN 49 1.696 -2.510 -11.285 333 1HE2 GLN 49 1HE2 GLN 49 0.023 -5.652 -11.256 334 2HE2 GLN 49 2HE2 GLN 49 -0.869 -5.442 -12.726 335 H LEU 50 H LEU 50 2.466 -4.273 -7.301 336 HA LEU 50 HA LEU 50 1.082 -6.401 -6.451 337 2HB LEU 50 2HB LEU 50 -0.294 -4.062 -5.543 338 HG LEU 50 HG LEU 50 0.033 -5.637 -3.881 339 1HD1 LEU 50 1HD1 LEU 50 2.780 -5.991 -5.046 340 2HD1 LEU 50 2HD1 LEU 50 2.426 -6.522 -3.384 341 3HD1 LEU 50 3HD1 LEU 50 1.505 -7.198 -4.749 342 1HD2 LEU 50 1HD2 LEU 50 1.528 -4.656 -2.209 343 2HD2 LEU 50 2HD2 LEU 50 2.299 -3.666 -3.471 344 3HD2 LEU 50 3HD2 LEU 50 0.587 -3.407 -3.058 345 H GLU 51 H GLU 51 -1.006 -3.576 -7.146 346 HA GLU 51 HA GLU 51 -2.838 -3.356 -8.300 347 2HB GLU 51 2HB GLU 51 -2.251 -5.976 -9.738 348 2HG GLU 51 2HG GLU 51 -3.581 -3.460 -10.810 349 H ASP 52 H ASP 52 -5.094 -3.997 -8.166 350 HA ASP 52 HA ASP 52 -5.882 -5.151 -5.940 351 2HB ASP 52 2HB ASP 52 -7.665 -4.268 -7.126 352 H GLY 53 H GLY 53 -6.073 -6.941 -9.118 353 1HA GLY 53 1HA GLY 53 -6.129 -9.166 -9.539 354 2HA GLY 53 2HA GLY 53 -4.612 -9.146 -8.662 355 H ARG 54 H ARG 54 -4.469 -10.036 -6.580 356 HA ARG 54 HA ARG 54 -6.974 -11.184 -5.639 357 2HB ARG 54 2HB ARG 54 -5.722 -13.070 -4.778 358 2HG ARG 54 2HG ARG 54 -4.318 -13.774 -6.815 359 2HD ARG 54 2HD ARG 54 -6.485 -13.301 -8.400 360 HE ARG 54 HE ARG 54 -7.215 -15.234 -6.412 361 1HH1 ARG 54 2HH2 ARG 54 -4.637 -14.550 -8.706 362 2HH1 ARG 54 1HH2 ARG 54 -4.186 -16.212 -8.891 363 1HH2 ARG 54 2HH1 ARG 54 -6.622 -17.427 -6.655 364 2HH2 ARG 54 1HH1 ARG 54 -5.323 -17.860 -7.716 365 H THR 55 H THR 55 -5.435 -12.083 -3.134 366 HA THR 55 HA THR 55 -5.462 -9.463 -1.794 367 HB THR 55 HB THR 55 -5.930 -10.957 0.245 368 HG1 THR 55 1HG THR 55 -6.358 -13.168 -0.319 369 1HG2 THR 55 1HG2 THR 55 -7.888 -11.391 -2.067 370 2HG2 THR 55 2HG2 THR 55 -8.262 -11.432 -0.327 371 3HG2 THR 55 3HG2 THR 55 -7.824 -9.894 -1.107 372 H LEU 56 H LEU 56 -4.118 -9.876 0.485 373 HA LEU 56 HA LEU 56 -1.446 -9.823 -0.412 374 2HB LEU 56 2HB LEU 56 -0.888 -9.342 1.826 375 HG LEU 56 HG LEU 56 -3.721 -8.299 1.628 376 1HD1 LEU 56 1HD1 LEU 56 -1.909 -8.061 3.670 377 2HD1 LEU 56 2HD1 LEU 56 -1.601 -6.586 2.722 378 3HD1 LEU 56 3HD1 LEU 56 -3.239 -6.927 3.329 379 1HD2 LEU 56 1HD2 LEU 56 -1.925 -6.338 0.696 380 2HD2 LEU 56 2HD2 LEU 56 -1.520 -7.840 -0.168 381 3HD2 LEU 56 3HD2 LEU 56 -3.181 -7.202 -0.222 382 H SER 57 H SER 57 -3.484 -12.264 1.280 383 HA SER 57 HA SER 57 -1.435 -14.027 1.829 384 2HB SER 57 2HB SER 57 -4.407 -14.445 1.326 385 HG SER 57 HG SER 57 -4.082 -16.509 2.405 386 H ASP 58 H ASP 58 -3.518 -13.573 -1.076 387 HA ASP 58 HA ASP 58 -2.619 -15.877 -2.375 388 2HB ASP 58 2HB ASP 58 -3.455 -14.521 -4.458 389 H TYR 59 H TYR 59 -1.456 -12.528 -2.024 390 HA TYR 59 HA TYR 59 0.474 -12.825 -4.169 391 2HB TYR 59 2HB TYR 59 1.023 -10.448 -3.008 392 HD1 TYR 59 1HD TYR 59 0.147 -8.419 -4.069 393 HD2 TYR 59 2HD TYR 59 -1.705 -12.222 -4.713 394 HE1 TYR 59 1HE TYR 59 -1.126 -7.471 -6.055 395 HE2 TYR 59 2HE TYR 59 -2.971 -11.261 -6.697 396 HH TYR 59 HH TYR 59 -3.511 -8.227 -7.190 397 H ASN 60 H ASN 60 0.238 -13.821 -0.956 398 HA ASN 60 HA ASN 60 1.717 -14.709 0.375 399 2HB ASN 60 2HB ASN 60 4.270 -13.912 -0.837 400 1HD2 ASN 60 1HD2 ASN 60 2.237 -16.659 -1.694 401 2HD2 ASN 60 2HD2 ASN 60 3.060 -17.863 -0.761 402 H ILE 61 H ILE 61 0.980 -11.689 0.054 403 HA ILE 61 HA ILE 61 3.258 -10.325 1.150 404 HB ILE 61 HB ILE 61 0.448 -9.559 0.417 405 2HG1 ILE 61 2HG1 ILE 61 2.521 -9.823 -1.195 406 1HG2 ILE 61 1HG2 ILE 61 1.179 -7.191 1.031 407 2HG2 ILE 61 2HG2 ILE 61 0.726 -8.278 2.365 408 3HG2 ILE 61 3HG2 ILE 61 2.443 -7.961 2.021 409 1HD1 ILE 61 1HD1 ILE 61 0.824 -7.290 -1.255 410 2HD1 ILE 61 2HD1 ILE 61 1.550 -8.133 -2.645 411 3HD1 ILE 61 3HD1 ILE 61 0.222 -8.894 -1.737 412 H GLN 62 H GLN 62 3.780 -11.314 3.120 413 HA GLN 62 HA GLN 62 1.713 -11.758 5.022 414 2HB GLN 62 2HB GLN 62 4.344 -11.857 6.211 415 2HG GLN 62 2HG GLN 62 3.473 -14.464 5.472 416 1HE2 GLN 62 1HE2 GLN 62 5.150 -14.415 7.111 417 2HE2 GLN 62 2HE2 GLN 62 4.724 -14.298 8.787 418 H LYS 63 H LYS 63 2.949 -10.985 7.463 419 HA LYS 63 HA LYS 63 2.265 -8.218 7.466 420 2HB LYS 63 2HB LYS 63 2.617 -8.371 9.867 421 2HG LYS 63 2HG LYS 63 1.312 -10.887 8.725 422 2HD LYS 63 2HD LYS 63 0.057 -9.795 11.098 423 2HE LYS 63 2HE LYS 63 0.294 -12.250 9.972 424 1HZ LYS 63 1HZ LYS 63 2.658 -12.284 10.696 425 2HZ LYS 63 2HZ LYS 63 2.142 -12.349 12.245 426 3HZ LYS 63 3HZ LYS 63 1.768 -13.554 11.208 427 H GLU 64 H GLU 64 3.950 -6.866 9.067 428 HA GLU 64 HA GLU 64 5.686 -5.544 8.739 429 2HB GLU 64 2HB GLU 64 7.751 -6.539 9.488 430 2HG GLU 64 2HG GLU 64 5.192 -7.362 10.628 431 H SER 65 H SER 65 4.566 -6.019 6.230 432 HA SER 65 HA SER 65 6.755 -6.786 4.517 433 2HB SER 65 2HB SER 65 4.677 -5.978 2.858 434 HG SER 65 HG SER 65 5.920 -8.209 3.374 435 H THR 66 H THR 66 7.123 -5.309 2.500 436 HA THR 66 HA THR 66 6.737 -2.483 3.169 437 HB THR 66 HB THR 66 9.412 -3.689 2.302 438 HG1 THR 66 1HG THR 66 8.528 -2.676 4.901 439 1HG2 THR 66 1HG2 THR 66 10.314 -1.547 3.118 440 2HG2 THR 66 2HG2 THR 66 9.050 -1.203 1.914 441 3HG2 THR 66 3HG2 THR 66 8.695 -1.033 3.649 442 H LEU 67 H LEU 67 5.489 -1.739 1.570 443 HA LEU 67 HA LEU 67 5.881 -2.865 -1.087 444 2HB LEU 67 2HB LEU 67 3.795 -1.690 -1.621 445 HG LEU 67 HG LEU 67 2.302 -3.093 -0.591 446 1HD1 LEU 67 1HD1 LEU 67 4.656 -4.695 0.315 447 2HD1 LEU 67 2HD1 LEU 67 3.228 -5.182 -0.629 448 3HD1 LEU 67 3HD1 LEU 67 4.533 -4.252 -1.404 449 1HD2 LEU 67 1HD2 LEU 67 2.413 -2.124 1.625 450 2HD2 LEU 67 2HD2 LEU 67 2.471 -3.899 1.736 451 3HD2 LEU 67 3HD2 LEU 67 3.959 -2.946 1.941 452 H HIS 68 H HIS 68 6.340 -1.559 -2.936 453 HA HIS 68 HA HIS 68 7.677 0.933 -2.186 454 2HB HIS 68 2HB HIS 68 8.846 0.572 -4.437 455 HD1 HIS 68 1HD HIS 68 10.966 0.951 -3.097 456 HD2 HIS 68 2HD HIS 68 9.088 -2.687 -2.180 457 HE1 HIS 68 1HE HIS 68 12.579 -0.325 -1.587 458 H LEU 69 H LEU 69 6.576 2.762 -2.657 459 HA LEU 69 HA LEU 69 4.417 2.609 -4.574 460 2HB LEU 69 2HB LEU 69 5.302 4.510 -2.453 461 HG LEU 69 HG LEU 69 4.823 6.018 -4.340 462 1HD1 LEU 69 1HD1 LEU 69 2.901 4.089 -5.032 463 2HD1 LEU 69 2HD1 LEU 69 1.988 5.551 -4.590 464 3HD1 LEU 69 3HD1 LEU 69 3.244 5.633 -5.849 465 1HD2 LEU 69 1HD2 LEU 69 3.812 6.137 -1.789 466 2HD2 LEU 69 2HD2 LEU 69 3.801 7.464 -2.977 467 3HD2 LEU 69 3HD2 LEU 69 2.368 6.425 -2.789 468 H VAL 70 H VAL 70 4.239 3.972 -6.445 469 HA VAL 70 HA VAL 70 6.866 4.597 -7.545 470 HB VAL 70 HB VAL 70 5.384 4.856 -9.653 471 1HG1 VAL 70 1HG1 VAL 70 6.028 2.760 -10.241 472 2HG1 VAL 70 2HG1 VAL 70 6.906 2.839 -8.694 473 3HG1 VAL 70 3HG1 VAL 70 5.330 2.015 -8.782 474 1HG2 VAL 70 1HG2 VAL 70 3.246 4.863 -8.293 475 2HG2 VAL 70 2HG2 VAL 70 3.278 3.740 -9.672 476 3HG2 VAL 70 3HG2 VAL 70 3.509 3.124 -8.019 477 H LEU 71 H LEU 71 6.374 6.562 -9.365 478 HA LEU 71 HA LEU 71 6.507 8.863 -7.911 479 2HB LEU 71 2HB LEU 71 5.645 9.853 -10.212 480 HG LEU 71 HG LEU 71 7.935 10.159 -9.704 481 1HD1 LEU 71 1HD1 LEU 71 9.569 8.508 -9.451 482 2HD1 LEU 71 2HD1 LEU 71 8.133 7.826 -8.650 483 3HD1 LEU 71 3HD1 LEU 71 8.590 7.274 -10.279 484 1HD2 LEU 71 1HD2 LEU 71 9.067 9.664 -11.823 485 2HD2 LEU 71 2HD2 LEU 71 7.757 8.543 -12.262 486 3HD2 LEU 71 3HD2 LEU 71 7.418 10.282 -12.083 487 H ARG 72 H ARG 72 5.094 10.332 -7.023 488 HA ARG 72 HA ARG 72 2.495 9.401 -6.563 489 2HB ARG 72 2HB ARG 72 3.804 10.823 -4.956 490 2HG ARG 72 2HG ARG 72 3.045 13.280 -6.519 491 2HD ARG 72 2HD ARG 72 5.268 12.462 -4.599 492 HE ARG 72 HE ARG 72 5.262 14.684 -6.523 493 1HH1 ARG 72 2HH2 ARG 72 6.458 13.531 -3.421 494 2HH1 ARG 72 1HH2 ARG 72 7.818 14.603 -3.402 495 1HH2 ARG 72 2HH1 ARG 72 7.055 16.099 -6.497 496 2HH2 ARG 72 1HH1 ARG 72 8.160 16.075 -5.163 497 H LEU 73 H LEU 73 0.732 11.516 -6.736 498 HA LEU 73 HA LEU 73 0.928 12.699 -9.363 499 2HB LEU 73 2HB LEU 73 -1.423 11.780 -9.876 500 HG LEU 73 HG LEU 73 1.073 10.858 -10.669 501 1HD1 LEU 73 1HD1 LEU 73 0.043 8.889 -8.940 502 2HD1 LEU 73 2HD1 LEU 73 -0.193 8.272 -10.593 503 3HD1 LEU 73 3HD1 LEU 73 1.430 8.759 -10.049 504 1HD2 LEU 73 1HD2 LEU 73 -1.115 11.405 -11.939 505 2HD2 LEU 73 2HD2 LEU 73 -0.007 10.187 -12.613 506 3HD2 LEU 73 3HD2 LEU 73 -1.474 9.672 -11.746 507 H ARG 74 H ARG 74 -1.566 13.756 -9.657 508 HA ARG 74 HA ARG 74 -1.544 15.832 -7.922 509 2HB ARG 74 2HB ARG 74 -4.197 15.776 -8.664 510 2HG ARG 74 2HG ARG 74 -2.146 17.321 -9.344 511 2HD ARG 74 2HD ARG 74 -1.221 15.423 -10.852 512 HE ARG 74 HE ARG 74 -2.810 14.699 -12.400 513 1HH1 ARG 74 2HH2 ARG 74 -3.017 18.200 -12.123 514 2HH1 ARG 74 1HH2 ARG 74 -4.176 18.361 -13.401 515 1HH2 ARG 74 2HH1 ARG 74 -4.339 14.910 -14.086 516 2HH2 ARG 74 1HH1 ARG 74 -4.932 16.477 -14.525 517 H GLY 75 H GLY 75 -2.375 16.235 -5.861 518 1HA GLY 75 1HA GLY 75 -4.242 15.808 -4.334 519 2HA GLY 75 2HA GLY 75 -4.047 14.100 -4.674 520 H GLY 76 H GLY 76 -3.653 16.064 -2.206 521 1HA GLY 76 1HA GLY 76 -2.331 14.903 -0.409 522 2HA GLY 76 2HA GLY 76 -0.953 15.113 -1.470 Start of MODEL 4 1 1H MET 1 1H MET 1 -0.009 -8.904 11.146 2 HA MET 1 HA MET 1 -0.552 -8.263 9.141 3 2HB MET 1 2HB MET 1 -2.778 -6.577 9.240 4 2HG MET 1 2HG MET 1 -2.662 -8.729 7.999 5 1HE MET 1 1HE MET 1 -1.638 -11.855 8.452 6 2HE MET 1 2HE MET 1 -1.308 -10.205 7.874 7 3HE MET 1 3HE MET 1 -0.397 -10.864 9.254 8 H GLN 2 H GLN 2 0.777 -6.355 11.355 9 HA GLN 2 HA GLN 2 0.378 -3.804 10.168 10 2HB GLN 2 2HB GLN 2 0.846 -4.075 12.591 11 2HG GLN 2 2HG GLN 2 3.749 -4.606 11.970 12 1HE2 GLN 2 1HE2 GLN 2 4.167 -3.494 13.849 13 2HE2 GLN 2 2HE2 GLN 2 3.753 -4.082 15.424 14 H ILE 3 H ILE 3 1.114 -3.588 8.070 15 HA ILE 3 HA ILE 3 3.805 -4.611 7.516 16 HB ILE 3 HB ILE 3 3.182 -4.543 5.184 17 2HG1 ILE 3 2HG1 ILE 3 1.634 -2.544 5.452 18 1HG2 ILE 3 1HG2 ILE 3 1.127 -6.158 5.377 19 2HG2 ILE 3 2HG2 ILE 3 2.715 -6.633 6.025 20 3HG2 ILE 3 3HG2 ILE 3 1.449 -6.034 7.123 21 1HD1 ILE 3 1HD1 ILE 3 -0.105 -4.165 3.867 22 2HD1 ILE 3 2HD1 ILE 3 1.183 -3.075 3.300 23 3HD1 ILE 3 3HD1 ILE 3 1.546 -4.787 3.624 24 H PHE 4 H PHE 4 4.523 -3.023 5.363 25 HA PHE 4 HA PHE 4 4.313 -0.286 6.353 26 2HB PHE 4 2HB PHE 4 6.787 -0.095 6.188 27 HD1 PHE 4 1HD PHE 4 7.656 -3.353 6.913 28 HD2 PHE 4 2HD PHE 4 5.496 -0.101 8.577 29 HE1 PHE 4 1HE PHE 4 7.990 -4.307 9.210 30 HE2 PHE 4 2HE PHE 4 5.830 -1.055 10.874 31 HZ PHE 4 HZ PHE 4 7.073 -3.147 11.164 32 H VAL 5 H VAL 5 4.896 1.347 4.723 33 HA VAL 5 HA VAL 5 4.949 0.251 2.002 34 HB VAL 5 HB VAL 5 3.239 2.516 3.049 35 1HG1 VAL 5 1HG1 VAL 5 4.309 2.694 0.675 36 2HG1 VAL 5 2HG1 VAL 5 3.121 1.442 0.238 37 3HG1 VAL 5 3HG1 VAL 5 2.568 3.008 0.876 38 1HG2 VAL 5 1HG2 VAL 5 1.347 1.144 2.641 39 2HG2 VAL 5 2HG2 VAL 5 2.315 -0.065 1.763 40 3HG2 VAL 5 3HG2 VAL 5 2.507 0.121 3.522 41 H LYS 6 H LYS 6 6.255 1.378 0.532 42 HA LYS 6 HA LYS 6 7.987 3.358 1.810 43 2HB LYS 6 2HB LYS 6 8.838 2.404 -0.807 44 2HG LYS 6 2HG LYS 6 9.889 2.624 2.015 45 2HD LYS 6 2HD LYS 6 11.365 1.149 -0.209 46 2HE LYS 6 2HE LYS 6 12.123 0.807 2.639 47 1HZ LYS 6 1HZ LYS 6 13.621 1.592 0.235 48 2HZ LYS 6 2HZ LYS 6 14.269 1.112 1.654 49 3HZ LYS 6 3HZ LYS 6 13.415 0.055 0.748 50 H THR 7 H THR 7 8.941 4.393 -0.780 51 HA THR 7 HA THR 7 7.059 5.321 -2.493 52 HB THR 7 HB THR 7 5.652 6.437 -1.013 53 HG1 THR 7 1HG THR 7 6.319 8.343 -1.938 54 1HG2 THR 7 1HG2 THR 7 6.982 7.785 0.964 55 2HG2 THR 7 2HG2 THR 7 6.358 6.132 1.180 56 3HG2 THR 7 3HG2 THR 7 8.070 6.391 0.765 57 H LEU 8 H LEU 8 7.721 7.575 -3.470 58 HA LEU 8 HA LEU 8 10.358 7.309 -4.271 59 2HB LEU 8 2HB LEU 8 8.111 8.991 -4.802 60 HG LEU 8 HG LEU 8 9.618 10.760 -3.708 61 1HD1 LEU 8 1HD1 LEU 8 11.200 10.880 -6.214 62 2HD1 LEU 8 2HD1 LEU 8 11.645 11.305 -4.543 63 3HD1 LEU 8 3HD1 LEU 8 11.638 9.600 -5.056 64 1HD2 LEU 8 1HD2 LEU 8 8.788 11.079 -6.605 65 2HD2 LEU 8 2HD2 LEU 8 7.755 11.313 -5.175 66 3HD2 LEU 8 3HD2 LEU 8 9.132 12.402 -5.466 67 H THR 9 H THR 9 9.024 8.562 -1.330 68 HA THR 9 HA THR 9 11.427 10.142 -0.792 69 HB THR 9 HB THR 9 9.118 11.081 -0.368 70 HG1 THR 9 1HG THR 9 11.089 11.585 0.937 71 1HG2 THR 9 1HG2 THR 9 8.876 8.527 1.119 72 2HG2 THR 9 2HG2 THR 9 8.481 9.951 2.111 73 3HG2 THR 9 3HG2 THR 9 7.598 9.649 0.595 74 H GLY 10 H GLY 10 10.692 6.952 -0.761 75 1HA GLY 10 1HA GLY 10 11.333 5.171 0.470 76 2HA GLY 10 2HA GLY 10 12.810 6.087 0.690 77 H LYS 11 H LYS 11 9.484 5.623 2.033 78 HA LYS 11 HA LYS 11 10.636 6.143 4.677 79 2HB LYS 11 2HB LYS 11 7.883 6.972 4.596 80 2HG LYS 11 2HG LYS 11 10.591 8.162 5.233 81 2HD LYS 11 2HD LYS 11 8.659 10.035 6.067 82 2HE LYS 11 2HE LYS 11 9.989 10.736 3.530 83 1HZ LYS 11 1HZ LYS 11 10.858 12.418 4.905 84 2HZ LYS 11 2HZ LYS 11 9.304 12.219 5.363 85 3HZ LYS 11 3HZ LYS 11 10.510 11.612 6.282 86 H THR 12 H THR 12 8.479 5.517 6.264 87 HA THR 12 HA THR 12 7.411 2.984 5.303 88 HB THR 12 HB THR 12 9.579 3.338 7.349 89 HG1 THR 12 1HG THR 12 10.095 2.037 5.591 90 1HG2 THR 12 1HG2 THR 12 8.883 1.397 8.643 91 2HG2 THR 12 2HG2 THR 12 7.524 2.547 8.682 92 3HG2 THR 12 3HG2 THR 12 7.468 1.139 7.594 93 H ILE 13 H ILE 13 5.329 2.773 5.844 94 HA ILE 13 HA ILE 13 4.430 4.288 8.192 95 HB ILE 13 HB ILE 13 2.299 4.671 6.885 96 2HG1 ILE 13 2HG1 ILE 13 3.710 3.138 4.929 97 1HG2 ILE 13 1HG2 ILE 13 4.686 6.106 5.721 98 2HG2 ILE 13 2HG2 ILE 13 3.053 6.735 6.048 99 3HG2 ILE 13 3HG2 ILE 13 4.145 6.351 7.400 100 1HD1 ILE 13 1HD1 ILE 13 1.204 4.559 4.177 101 2HD1 ILE 13 2HD1 ILE 13 1.578 2.819 4.153 102 3HD1 ILE 13 3HD1 ILE 13 1.112 3.608 5.679 103 H THR 14 H THR 14 3.392 3.054 9.671 104 HA THR 14 HA THR 14 2.933 0.279 9.015 105 HB THR 14 HB THR 14 3.061 2.041 11.461 106 HG1 THR 14 1HG THR 14 3.897 -0.639 10.595 107 1HG2 THR 14 1HG2 THR 14 1.583 -0.627 11.253 108 2HG2 THR 14 2HG2 THR 14 2.336 -0.075 12.769 109 3HG2 THR 14 3HG2 THR 14 1.020 0.871 12.034 110 H LEU 15 H LEU 15 1.094 -0.614 8.331 111 HA LEU 15 HA LEU 15 -1.358 0.935 8.800 112 2HB LEU 15 2HB LEU 15 -1.818 -0.565 6.527 113 HG LEU 15 HG LEU 15 -1.228 1.699 5.309 114 1HD1 LEU 15 1HD1 LEU 15 -3.509 0.569 6.238 115 2HD1 LEU 15 2HD1 LEU 15 -3.512 2.103 7.143 116 3HD1 LEU 15 3HD1 LEU 15 -3.439 2.118 5.365 117 1HD2 LEU 15 1HD2 LEU 15 -1.668 2.846 8.046 118 2HD2 LEU 15 2HD2 LEU 15 -0.023 2.435 7.504 119 3HD2 LEU 15 3HD2 LEU 15 -0.997 3.607 6.584 120 H GLU 16 H GLU 16 -3.369 -0.510 8.687 121 HA GLU 16 HA GLU 16 -2.664 -3.080 9.876 122 2HB GLU 16 2HB GLU 16 -5.125 -2.690 10.899 123 2HG GLU 16 2HG GLU 16 -3.709 -1.181 12.697 124 H VAL 17 H VAL 17 -2.666 -3.737 7.493 125 HA VAL 17 HA VAL 17 -5.304 -3.836 6.300 126 HB VAL 17 HB VAL 17 -4.098 -4.797 4.389 127 1HG1 VAL 17 1HG1 VAL 17 -3.806 -2.682 3.749 128 2HG1 VAL 17 2HG1 VAL 17 -3.847 -2.164 5.452 129 3HG1 VAL 17 3HG1 VAL 17 -2.296 -2.590 4.690 130 1HG2 VAL 17 1HG2 VAL 17 -2.197 -5.567 6.251 131 2HG2 VAL 17 2HG2 VAL 17 -2.020 -5.634 4.480 132 3HG2 VAL 17 3HG2 VAL 17 -1.401 -4.232 5.384 133 H GLU 18 H GLU 18 -5.134 -6.316 4.944 134 HA GLU 18 HA GLU 18 -4.900 -8.236 7.104 135 2HB GLU 18 2HB GLU 18 -7.250 -8.769 5.424 136 2HG GLU 18 2HG GLU 18 -7.748 -8.234 8.251 137 HA PRO 19 HA PRO 19 -3.258 -10.690 3.924 138 2HB PRO 19 2HB PRO 19 -2.334 -12.170 5.426 139 2HG PRO 19 2HG PRO 19 -3.357 -12.212 7.493 140 2HD PRO 19 2HD PRO 19 -4.299 -10.115 7.524 141 H SER 20 H SER 20 -6.544 -10.900 4.706 142 HA SER 20 HA SER 20 -6.982 -12.434 2.274 143 2HB SER 20 2HB SER 20 -8.819 -11.831 4.633 144 HG SER 20 HG SER 20 -9.587 -12.337 2.163 145 H ASP 21 H ASP 21 -6.441 -9.344 2.972 146 HA ASP 21 HA ASP 21 -8.834 -8.229 1.835 147 2HB ASP 21 2HB ASP 21 -7.410 -6.055 2.087 148 H THR 22 H THR 22 -8.782 -6.986 -0.205 149 HA THR 22 HA THR 22 -6.910 -8.068 -2.106 150 HB THR 22 HB THR 22 -9.365 -7.767 -2.562 151 HG1 THR 22 1HG THR 22 -7.730 -7.644 -4.283 152 1HG2 THR 22 1HG2 THR 22 -9.220 -5.348 -1.318 153 2HG2 THR 22 2HG2 THR 22 -8.898 -4.825 -2.988 154 3HG2 THR 22 3HG2 THR 22 -10.410 -5.682 -2.600 155 H ILE 23 H ILE 23 -5.383 -6.951 -3.354 156 HA ILE 23 HA ILE 23 -3.778 -5.203 -2.045 157 HB ILE 23 HB ILE 23 -4.235 -5.472 -5.018 158 2HG1 ILE 23 2HG1 ILE 23 -2.473 -7.102 -4.989 159 1HG2 ILE 23 1HG2 ILE 23 -1.808 -4.370 -3.577 160 2HG2 ILE 23 2HG2 ILE 23 -2.046 -4.521 -5.334 161 3HG2 ILE 23 3HG2 ILE 23 -3.042 -3.383 -4.396 162 1HD1 ILE 23 1HD1 ILE 23 -2.006 -7.763 -2.328 163 2HD1 ILE 23 2HD1 ILE 23 -0.884 -6.860 -3.374 164 3HD1 ILE 23 3HD1 ILE 23 -1.997 -5.983 -2.295 165 H GLU 24 H GLU 24 -6.837 -4.559 -3.686 166 HA GLU 24 HA GLU 24 -6.440 -1.819 -4.031 167 2HB GLU 24 2HB GLU 24 -9.228 -2.693 -3.531 168 2HG GLU 24 2HG GLU 24 -8.063 -1.861 -6.192 169 H ASN 25 H ASN 25 -8.484 -3.578 -1.577 170 HA ASN 25 HA ASN 25 -9.098 -1.447 -0.048 171 2HB ASN 25 2HB ASN 25 -8.343 -4.057 1.303 172 1HD2 ASN 25 1HD2 ASN 25 -8.885 -1.234 2.024 173 2HD2 ASN 25 2HD2 ASN 25 -10.268 -1.246 3.067 174 H VAL 26 H VAL 26 -6.087 -3.390 -0.194 175 HA VAL 26 HA VAL 26 -4.948 -2.342 2.180 176 HB VAL 26 HB VAL 26 -3.584 -3.579 -0.218 177 1HG1 VAL 26 1HG1 VAL 26 -2.311 -2.401 1.770 178 2HG1 VAL 26 2HG1 VAL 26 -2.693 -3.913 2.630 179 3HG1 VAL 26 3HG1 VAL 26 -1.744 -3.960 1.124 180 1HG2 VAL 26 1HG2 VAL 26 -4.231 -5.665 0.404 181 2HG2 VAL 26 2HG2 VAL 26 -4.274 -5.257 2.137 182 3HG2 VAL 26 3HG2 VAL 26 -5.625 -4.786 1.077 183 H LYS 27 H LYS 27 -4.639 -1.579 -1.346 184 HA LYS 27 HA LYS 27 -2.860 0.596 -0.792 185 2HB LYS 27 2HB LYS 27 -3.259 -1.010 -2.946 186 2HG LYS 27 2HG LYS 27 -4.549 1.684 -3.591 187 2HD LYS 27 2HD LYS 27 -3.028 0.496 -5.349 188 2HE LYS 27 2HE LYS 27 -5.485 -1.240 -5.750 189 1HZ LYS 27 1HZ LYS 27 -3.978 -1.096 -7.541 190 2HZ LYS 27 2HZ LYS 27 -2.675 -1.353 -6.591 191 3HZ LYS 27 3HZ LYS 27 -3.744 -2.559 -6.856 192 H ALA 28 H ALA 28 -6.135 0.119 -0.279 193 HA ALA 28 HA ALA 28 -6.883 2.828 -1.051 194 1HB ALA 28 1HB ALA 28 -8.278 0.267 -0.409 195 2HB ALA 28 2HB ALA 28 -9.115 1.769 0.048 196 3HB ALA 28 3HB ALA 28 -8.647 1.492 -1.646 197 H LYS 29 H LYS 29 -6.481 0.681 1.818 198 HA LYS 29 HA LYS 29 -7.475 2.284 3.772 199 2HB LYS 29 2HB LYS 29 -5.021 1.100 4.690 200 2HG LYS 29 2HG LYS 29 -7.919 0.145 4.860 201 2HD LYS 29 2HD LYS 29 -5.835 -0.201 7.015 202 2HE LYS 29 2HE LYS 29 -7.208 -2.460 7.080 203 1HZ LYS 29 1HZ LYS 29 -8.696 -0.037 7.761 204 2HZ LYS 29 2HZ LYS 29 -8.645 -1.458 8.563 205 3HZ LYS 29 3HZ LYS 29 -7.353 -0.458 8.589 206 H ILE 30 H ILE 30 -4.648 2.804 1.742 207 HA ILE 30 HA ILE 30 -3.545 4.790 3.508 208 HB ILE 30 HB ILE 30 -2.029 5.142 1.479 209 2HG1 ILE 30 2HG1 ILE 30 -3.785 3.942 -0.027 210 1HG2 ILE 30 1HG2 ILE 30 -0.599 3.784 2.523 211 2HG2 ILE 30 2HG2 ILE 30 -1.945 3.418 3.628 212 3HG2 ILE 30 3HG2 ILE 30 -1.612 2.349 2.245 213 1HD1 ILE 30 1HD1 ILE 30 -1.999 4.401 -1.365 214 2HD1 ILE 30 2HD1 ILE 30 -0.832 4.021 -0.075 215 3HD1 ILE 30 3HD1 ILE 30 -1.516 2.713 -1.068 216 H GLN 31 H GLN 31 -5.477 4.620 0.479 217 HA GLN 31 HA GLN 31 -5.373 7.298 -0.128 218 2HB GLN 31 2HB GLN 31 -7.370 6.874 -1.495 219 2HG GLN 31 2HG GLN 31 -6.590 4.935 -2.771 220 1HE2 GLN 31 1HE2 GLN 31 -3.993 5.747 -0.504 221 2HE2 GLN 31 2HE2 GLN 31 -3.032 6.698 -1.588 222 H ASP 32 H ASP 32 -7.081 5.576 2.417 223 HA ASP 32 HA ASP 32 -8.885 7.774 2.831 224 2HB ASP 32 2HB ASP 32 -8.813 5.809 4.990 225 H LYS 33 H LYS 33 -5.851 6.360 4.028 226 HA LYS 33 HA LYS 33 -5.787 7.526 6.564 227 2HB LYS 33 2HB LYS 33 -3.207 7.264 6.100 228 2HG LYS 33 2HG LYS 33 -3.733 4.620 6.145 229 2HD LYS 33 2HD LYS 33 -4.211 6.735 8.266 230 2HE LYS 33 2HE LYS 33 -4.044 4.470 9.757 231 1HZ LYS 33 1HZ LYS 33 -5.746 6.183 9.882 232 2HZ LYS 33 2HZ LYS 33 -6.552 5.510 8.631 233 3HZ LYS 33 3HZ LYS 33 -6.390 4.691 10.035 234 H GLU 34 H GLU 34 -5.221 8.806 3.309 235 HA GLU 34 HA GLU 34 -4.524 11.337 4.583 236 2HB GLU 34 2HB GLU 34 -2.604 11.131 3.374 237 2HG GLU 34 2HG GLU 34 -2.680 9.683 1.146 238 H GLY 35 H GLY 35 -5.647 10.168 1.321 239 1HA GLY 35 1HA GLY 35 -8.142 10.675 1.044 240 2HA GLY 35 2HA GLY 35 -7.651 12.329 1.349 241 H ILE 36 H ILE 36 -5.807 9.793 -0.445 242 HA ILE 36 HA ILE 36 -6.162 11.429 -2.859 243 HB ILE 36 HB ILE 36 -3.991 11.898 -2.350 244 2HG1 ILE 36 2HG1 ILE 36 -3.742 11.168 -4.521 245 1HG2 ILE 36 1HG2 ILE 36 -2.386 10.360 -1.320 246 2HG2 ILE 36 2HG2 ILE 36 -3.847 10.551 -0.322 247 3HG2 ILE 36 3HG2 ILE 36 -3.622 9.079 -1.298 248 1HD1 ILE 36 1HD1 ILE 36 -1.994 9.130 -3.075 249 2HD1 ILE 36 2HD1 ILE 36 -1.698 9.883 -4.660 250 3HD1 ILE 36 3HD1 ILE 36 -1.591 10.861 -3.176 251 HA PRO 37 HA PRO 37 -7.555 7.728 -4.599 252 2HB PRO 37 2HB PRO 37 -8.758 8.860 -6.202 253 2HG PRO 37 2HG PRO 37 -8.057 11.024 -6.583 254 2HD PRO 37 2HD PRO 37 -7.038 11.482 -4.574 255 HA PRO 38 HA PRO 38 -4.105 5.402 -5.486 256 2HB PRO 38 2HB PRO 38 -4.931 3.568 -4.366 257 2HG PRO 38 2HG PRO 38 -7.215 3.581 -4.049 258 2HD PRO 38 2HD PRO 38 -7.630 5.840 -4.164 259 H ASP 39 H ASP 39 -6.640 5.919 -7.700 260 HA ASP 39 HA ASP 39 -5.939 4.537 -9.853 261 2HB ASP 39 2HB ASP 39 -6.377 7.042 -10.972 262 H GLN 40 H GLN 40 -4.137 7.128 -8.254 263 HA GLN 40 HA GLN 40 -2.347 7.352 -10.523 264 2HB GLN 40 2HB GLN 40 -1.320 9.213 -9.063 265 2HG GLN 40 2HG GLN 40 -2.842 9.770 -10.908 266 1HE2 GLN 40 1HE2 GLN 40 -4.706 9.460 -7.883 267 2HE2 GLN 40 2HE2 GLN 40 -6.180 8.888 -8.591 268 H GLN 41 H GLN 41 -2.044 7.087 -6.899 269 HA GLN 41 HA GLN 41 0.574 6.148 -7.054 270 2HB GLN 41 2HB GLN 41 0.296 5.653 -4.642 271 2HG GLN 41 2HG GLN 41 -0.659 7.919 -3.937 272 1HE2 GLN 41 1HE2 GLN 41 1.531 7.640 -3.325 273 2HE2 GLN 41 2HE2 GLN 41 2.827 8.314 -4.255 274 H ARG 42 H ARG 42 1.458 4.037 -6.915 275 HA ARG 42 HA ARG 42 -0.510 1.904 -7.032 276 2HB ARG 42 2HB ARG 42 0.198 2.264 -9.345 277 2HG ARG 42 2HG ARG 42 2.816 2.717 -8.054 278 2HD ARG 42 2HD ARG 42 3.225 1.605 -10.761 279 HE ARG 42 HE ARG 42 4.646 1.641 -8.174 280 1HH1 ARG 42 2HH2 ARG 42 4.622 0.496 -11.500 281 2HH1 ARG 42 1HH2 ARG 42 6.327 0.188 -11.542 282 1HH2 ARG 42 2HH1 ARG 42 6.894 1.238 -8.228 283 2HH2 ARG 42 1HH1 ARG 42 7.628 0.613 -9.667 284 H LEU 43 H LEU 43 0.088 0.022 -5.878 285 HA LEU 43 HA LEU 43 2.514 0.305 -4.297 286 2HB LEU 43 2HB LEU 43 1.487 -1.637 -3.042 287 HG LEU 43 HG LEU 43 -0.462 -0.315 -2.085 288 1HD1 LEU 43 1HD1 LEU 43 0.988 1.272 -0.926 289 2HD1 LEU 43 2HD1 LEU 43 1.773 -0.318 -1.086 290 3HD1 LEU 43 3HD1 LEU 43 2.256 1.025 -2.150 291 1HD2 LEU 43 1HD2 LEU 43 0.584 2.020 -3.665 292 2HD2 LEU 43 2HD2 LEU 43 -0.715 0.988 -4.309 293 3HD2 LEU 43 3HD2 LEU 43 -0.945 1.848 -2.769 294 H ILE 44 H ILE 44 4.091 -1.400 -4.129 295 HA ILE 44 HA ILE 44 3.906 -3.444 -6.202 296 HB ILE 44 HB ILE 44 6.289 -1.621 -5.853 297 2HG1 ILE 44 2HG1 ILE 44 5.675 -0.436 -7.720 298 1HG2 ILE 44 1HG2 ILE 44 7.223 -2.791 -7.769 299 2HG2 ILE 44 2HG2 ILE 44 6.880 -3.932 -6.448 300 3HG2 ILE 44 3HG2 ILE 44 5.790 -3.844 -7.853 301 1HD1 ILE 44 1HD1 ILE 44 4.129 -2.930 -8.474 302 2HD1 ILE 44 2HD1 ILE 44 3.724 -1.365 -9.220 303 3HD1 ILE 44 3HD1 ILE 44 5.356 -2.047 -9.413 304 H PHE 45 H PHE 45 5.236 -5.324 -5.764 305 HA PHE 45 HA PHE 45 6.638 -5.377 -3.249 306 2HB PHE 45 2HB PHE 45 4.242 -7.209 -3.852 307 HD1 PHE 45 1HD PHE 45 4.499 -9.216 -2.760 308 HD2 PHE 45 2HD PHE 45 5.969 -5.697 -0.899 309 HE1 PHE 45 1HE PHE 45 5.173 -10.560 -0.750 310 HE2 PHE 45 2HE PHE 45 6.643 -7.041 1.111 311 HZ PHE 45 HZ PHE 45 6.237 -9.456 1.162 312 H ALA 46 H ALA 46 8.460 -6.548 -3.607 313 HA ALA 46 HA ALA 46 9.851 -8.064 -4.418 314 1HB ALA 46 1HB ALA 46 8.030 -9.962 -5.636 315 2HB ALA 46 2HB ALA 46 9.029 -10.141 -4.173 316 3HB ALA 46 3HB ALA 46 7.398 -9.436 -4.057 317 H GLY 47 H GLY 47 8.546 -5.826 -6.065 318 1HA GLY 47 1HA GLY 47 9.075 -5.002 -8.116 319 2HA GLY 47 2HA GLY 47 9.817 -6.528 -8.552 320 H LYS 48 H LYS 48 6.910 -7.498 -7.313 321 HA LYS 48 HA LYS 48 5.812 -7.845 -9.947 322 2HB LYS 48 2HB LYS 48 5.900 -9.495 -7.883 323 2HG LYS 48 2HG LYS 48 3.050 -8.650 -7.543 324 2HD LYS 48 2HD LYS 48 4.034 -9.155 -5.059 325 2HE LYS 48 2HE LYS 48 2.232 -10.401 -6.467 326 1HZ LYS 48 1HZ LYS 48 4.620 -11.504 -7.491 327 2HZ LYS 48 2HZ LYS 48 3.660 -12.670 -6.872 328 3HZ LYS 48 3HZ LYS 48 3.089 -11.674 -8.033 329 H GLN 49 H GLN 49 3.693 -7.138 -10.621 330 HA GLN 49 HA GLN 49 3.164 -4.515 -9.658 331 2HB GLN 49 2HB GLN 49 2.100 -6.253 -11.889 332 2HG GLN 49 2HG GLN 49 0.949 -3.572 -10.980 333 1HE2 GLN 49 1HE2 GLN 49 -1.367 -3.649 -12.220 334 2HE2 GLN 49 2HE2 GLN 49 -1.217 -3.679 -13.945 335 H LEU 50 H LEU 50 2.247 -4.487 -7.606 336 HA LEU 50 HA LEU 50 0.374 -6.414 -6.760 337 2HB LEU 50 2HB LEU 50 -0.005 -4.606 -4.946 338 HG LEU 50 HG LEU 50 2.890 -5.196 -4.917 339 1HD1 LEU 50 1HD1 LEU 50 2.162 -6.210 -2.686 340 2HD1 LEU 50 2HD1 LEU 50 1.966 -4.452 -2.893 341 3HD1 LEU 50 3HD1 LEU 50 0.555 -5.528 -3.036 342 1HD2 LEU 50 1HD2 LEU 50 2.323 -7.130 -6.160 343 2HD2 LEU 50 2HD2 LEU 50 2.447 -7.644 -4.461 344 3HD2 LEU 50 3HD2 LEU 50 0.847 -7.405 -5.205 345 H GLU 51 H GLU 51 -1.618 -6.676 -7.610 346 HA GLU 51 HA GLU 51 -3.072 -4.216 -8.195 347 2HB GLU 51 2HB GLU 51 -3.286 -6.830 -9.751 348 2HG GLU 51 2HG GLU 51 -5.287 -5.154 -9.621 349 H ASP 52 H ASP 52 -5.432 -4.343 -7.883 350 HA ASP 52 HA ASP 52 -6.102 -5.585 -5.543 351 2HB ASP 52 2HB ASP 52 -7.376 -3.699 -6.420 352 H GLY 53 H GLY 53 -5.846 -6.813 -8.802 353 1HA GLY 53 1HA GLY 53 -7.689 -8.673 -9.253 354 2HA GLY 53 2HA GLY 53 -5.981 -8.975 -9.508 355 H ARG 54 H ARG 54 -4.929 -9.113 -6.926 356 HA ARG 54 HA ARG 54 -6.519 -11.258 -5.764 357 2HB ARG 54 2HB ARG 54 -4.107 -12.097 -5.013 358 2HG ARG 54 2HG ARG 54 -3.897 -12.993 -7.580 359 2HD ARG 54 2HD ARG 54 -6.153 -13.822 -5.692 360 HE ARG 54 HE ARG 54 -5.021 -15.030 -8.106 361 1HH1 ARG 54 2HH2 ARG 54 -6.602 -15.694 -5.033 362 2HH1 ARG 54 1HH2 ARG 54 -7.227 -17.228 -5.541 363 1HH2 ARG 54 2HH1 ARG 54 -5.844 -17.053 -8.775 364 2HH2 ARG 54 1HH1 ARG 54 -6.793 -18.006 -7.684 365 H THR 55 H THR 55 -5.098 -11.743 -3.424 366 HA THR 55 HA THR 55 -5.275 -9.137 -2.074 367 HB THR 55 HB THR 55 -5.594 -10.710 -0.041 368 HG1 THR 55 1HG THR 55 -4.649 -12.474 -1.600 369 1HG2 THR 55 1HG2 THR 55 -7.592 -9.703 -1.180 370 2HG2 THR 55 2HG2 THR 55 -7.566 -11.030 -2.365 371 3HG2 THR 55 3HG2 THR 55 -7.917 -11.371 -0.655 372 H LEU 56 H LEU 56 -3.925 -9.819 0.295 373 HA LEU 56 HA LEU 56 -1.228 -9.545 -0.681 374 2HB LEU 56 2HB LEU 56 -0.689 -8.803 1.462 375 HG LEU 56 HG LEU 56 -3.607 -8.015 1.307 376 1HD1 LEU 56 1HD1 LEU 56 -2.364 -5.830 2.211 377 2HD1 LEU 56 2HD1 LEU 56 -2.950 -7.121 3.287 378 3HD1 LEU 56 3HD1 LEU 56 -1.232 -7.059 2.824 379 1HD2 LEU 56 1HD2 LEU 56 -1.367 -7.349 -0.485 380 2HD2 LEU 56 2HD2 LEU 56 -3.124 -7.230 -0.737 381 3HD2 LEU 56 3HD2 LEU 56 -2.262 -5.945 0.143 382 H SER 57 H SER 57 -3.254 -11.909 1.104 383 HA SER 57 HA SER 57 -1.223 -13.566 1.918 384 2HB SER 57 2HB SER 57 -3.402 -13.930 2.812 385 HG SER 57 HG SER 57 -5.213 -14.491 1.487 386 H ASP 58 H ASP 58 -3.290 -13.738 -1.074 387 HA ASP 58 HA ASP 58 -2.160 -15.944 -2.169 388 2HB ASP 58 2HB ASP 58 -2.773 -14.788 -4.415 389 H TYR 59 H TYR 59 -0.883 -12.684 -1.760 390 HA TYR 59 HA TYR 59 1.248 -13.156 -3.702 391 2HB TYR 59 2HB TYR 59 1.698 -10.681 -2.851 392 HD1 TYR 59 1HD TYR 59 -0.500 -12.748 -4.721 393 HD2 TYR 59 2HD TYR 59 0.318 -8.652 -3.793 394 HE1 TYR 59 1HE TYR 59 -1.741 -12.018 -6.816 395 HE2 TYR 59 2HE TYR 59 -0.925 -7.936 -5.892 396 HH TYR 59 HH TYR 59 -2.544 -10.339 -7.935 397 H ASN 60 H ASN 60 0.668 -14.119 -0.625 398 HA ASN 60 HA ASN 60 1.912 -14.755 1.032 399 2HB ASN 60 2HB ASN 60 4.625 -14.362 0.348 400 1HD2 ASN 60 1HD2 ASN 60 2.494 -16.480 -1.495 401 2HD2 ASN 60 2HD2 ASN 60 2.847 -17.955 -0.659 402 H ILE 61 H ILE 61 1.265 -11.800 0.428 403 HA ILE 61 HA ILE 61 3.471 -10.339 1.537 404 HB ILE 61 HB ILE 61 0.706 -9.668 0.585 405 2HG1 ILE 61 2HG1 ILE 61 2.826 -10.015 -0.898 406 1HG2 ILE 61 1HG2 ILE 61 1.288 -7.265 1.091 407 2HG2 ILE 61 2HG2 ILE 61 0.886 -8.276 2.499 408 3HG2 ILE 61 3HG2 ILE 61 2.584 -7.881 2.143 409 1HD1 ILE 61 1HD1 ILE 61 0.561 -8.948 -1.518 410 2HD1 ILE 61 2HD1 ILE 61 1.336 -7.377 -1.198 411 3HD1 ILE 61 3HD1 ILE 61 1.966 -8.436 -2.483 412 H GLN 62 H GLN 62 3.863 -11.278 3.588 413 HA GLN 62 HA GLN 62 1.693 -11.488 5.417 414 2HB GLN 62 2HB GLN 62 3.808 -11.898 7.009 415 2HG GLN 62 2HG GLN 62 3.544 -14.007 4.895 416 1HE2 GLN 62 1HE2 GLN 62 1.672 -15.231 6.960 417 2HE2 GLN 62 2HE2 GLN 62 2.707 -15.823 8.216 418 H LYS 63 H LYS 63 2.645 -10.598 7.857 419 HA LYS 63 HA LYS 63 2.268 -7.786 7.581 420 2HB LYS 63 2HB LYS 63 1.255 -9.082 9.403 421 2HG LYS 63 2HG LYS 63 4.171 -9.518 10.176 422 2HD LYS 63 2HD LYS 63 1.857 -9.054 11.909 423 2HE LYS 63 2HE LYS 63 2.853 -11.207 13.304 424 1HZ LYS 63 1HZ LYS 63 0.489 -10.472 12.193 425 2HZ LYS 63 2HZ LYS 63 0.722 -11.989 11.633 426 3HZ LYS 63 3HZ LYS 63 0.720 -11.703 13.241 427 H GLU 64 H GLU 64 3.759 -6.168 8.639 428 HA GLU 64 HA GLU 64 5.689 -5.187 8.807 429 2HB GLU 64 2HB GLU 64 7.671 -6.423 9.567 430 2HG GLU 64 2HG GLU 64 4.987 -6.832 10.717 431 H SER 65 H SER 65 4.594 -6.163 6.182 432 HA SER 65 HA SER 65 6.889 -6.835 4.644 433 2HB SER 65 2HB SER 65 4.888 -6.026 2.860 434 HG SER 65 HG SER 65 4.446 -8.318 2.717 435 H THR 66 H THR 66 6.848 -5.352 2.352 436 HA THR 66 HA THR 66 6.682 -2.536 2.998 437 HB THR 66 HB THR 66 9.351 -3.854 2.271 438 HG1 THR 66 1HG THR 66 9.688 -3.700 4.502 439 1HG2 THR 66 1HG2 THR 66 9.080 -1.439 1.551 440 2HG2 THR 66 2HG2 THR 66 8.667 -1.026 3.232 441 3HG2 THR 66 3HG2 THR 66 10.290 -1.642 2.841 442 H LEU 67 H LEU 67 5.581 -1.715 1.342 443 HA LEU 67 HA LEU 67 5.963 -2.976 -1.267 444 2HB LEU 67 2HB LEU 67 3.876 -1.873 -1.875 445 HG LEU 67 HG LEU 67 2.358 -3.185 -0.745 446 1HD1 LEU 67 1HD1 LEU 67 4.608 -4.387 -1.514 447 2HD1 LEU 67 2HD1 LEU 67 4.669 -4.799 0.218 448 3HD1 LEU 67 3HD1 LEU 67 3.259 -5.272 -0.760 449 1HD2 LEU 67 1HD2 LEU 67 2.611 -3.913 1.624 450 2HD2 LEU 67 2HD2 LEU 67 4.059 -2.884 1.742 451 3HD2 LEU 67 3HD2 LEU 67 2.470 -2.151 1.419 452 H HIS 68 H HIS 68 6.224 -1.599 -3.183 453 HA HIS 68 HA HIS 68 7.766 0.778 -2.472 454 2HB HIS 68 2HB HIS 68 8.551 0.475 -4.927 455 HD1 HIS 68 1HD HIS 68 10.907 0.735 -4.086 456 HD2 HIS 68 2HD HIS 68 9.045 -2.713 -2.588 457 HE1 HIS 68 1HE HIS 68 12.702 -0.549 -2.807 458 H LEU 69 H LEU 69 6.799 2.720 -2.740 459 HA LEU 69 HA LEU 69 4.374 2.829 -4.309 460 2HB LEU 69 2HB LEU 69 5.067 5.373 -3.307 461 HG LEU 69 HG LEU 69 3.234 3.324 -2.030 462 1HD1 LEU 69 1HD1 LEU 69 2.059 5.481 -1.274 463 2HD1 LEU 69 2HD1 LEU 69 3.553 5.000 -0.435 464 3HD1 LEU 69 3HD1 LEU 69 3.596 6.293 -1.659 465 1HD2 LEU 69 1HD2 LEU 69 2.376 3.495 -4.177 466 2HD2 LEU 69 2HD2 LEU 69 1.470 4.747 -3.294 467 3HD2 LEU 69 3HD2 LEU 69 2.835 5.208 -4.340 468 H VAL 70 H VAL 70 4.565 5.572 -5.157 469 HA VAL 70 HA VAL 70 6.881 5.631 -6.906 470 HB VAL 70 HB VAL 70 5.365 6.053 -8.868 471 1HG1 VAL 70 1HG1 VAL 70 4.907 3.609 -9.248 472 2HG1 VAL 70 2HG1 VAL 70 6.571 3.983 -8.740 473 3HG1 VAL 70 3HG1 VAL 70 5.411 3.312 -7.568 474 1HG2 VAL 70 1HG2 VAL 70 3.219 6.438 -8.203 475 2HG2 VAL 70 2HG2 VAL 70 3.098 4.679 -8.447 476 3HG2 VAL 70 3HG2 VAL 70 3.331 5.336 -6.810 477 H LEU 71 H LEU 71 6.865 7.792 -8.177 478 HA LEU 71 HA LEU 71 6.940 9.881 -6.502 479 2HB LEU 71 2HB LEU 71 7.878 10.298 -8.527 480 HG LEU 71 HG LEU 71 5.914 8.605 -9.654 481 1HD1 LEU 71 1HD1 LEU 71 4.429 10.189 -10.386 482 2HD1 LEU 71 2HD1 LEU 71 5.680 11.439 -10.585 483 3HD1 LEU 71 3HD1 LEU 71 5.540 10.122 -11.774 484 1HD2 LEU 71 1HD2 LEU 71 7.407 9.005 -11.740 485 2HD2 LEU 71 2HD2 LEU 71 8.399 9.984 -10.633 486 3HD2 LEU 71 3HD2 LEU 71 8.115 8.262 -10.286 487 H ARG 72 H ARG 72 5.514 10.859 -5.180 488 HA ARG 72 HA ARG 72 2.844 10.225 -5.211 489 2HB ARG 72 2HB ARG 72 3.996 11.115 -3.216 490 2HG ARG 72 2HG ARG 72 4.310 13.562 -4.982 491 2HD ARG 72 2HD ARG 72 3.776 13.467 -2.044 492 HE ARG 72 HE ARG 72 5.890 14.322 -1.549 493 1HH1 ARG 72 2HH2 ARG 72 4.875 15.564 -4.682 494 2HH1 ARG 72 1HH2 ARG 72 6.244 16.613 -4.852 495 1HH2 ARG 72 2HH1 ARG 72 7.695 15.706 -1.774 496 2HH2 ARG 72 1HH1 ARG 72 7.858 16.695 -3.186 497 H LEU 73 H LEU 73 1.014 12.007 -5.349 498 HA LEU 73 HA LEU 73 1.131 13.070 -7.994 499 2HB LEU 73 2HB LEU 73 -1.082 13.855 -6.214 500 HG LEU 73 HG LEU 73 -1.398 14.092 -8.596 501 1HD1 LEU 73 1HD1 LEU 73 -1.518 11.911 -9.981 502 2HD1 LEU 73 2HD1 LEU 73 0.075 12.629 -9.638 503 3HD1 LEU 73 3HD1 LEU 73 -0.490 11.225 -8.699 504 1HD2 LEU 73 1HD2 LEU 73 -3.328 13.435 -7.198 505 2HD2 LEU 73 2HD2 LEU 73 -3.467 12.873 -8.882 506 3HD2 LEU 73 3HD2 LEU 73 -3.011 11.730 -7.597 507 H ARG 74 H ARG 74 -0.545 15.472 -7.280 508 HA ARG 74 HA ARG 74 1.697 17.195 -6.899 509 2HB ARG 74 2HB ARG 74 -0.099 19.008 -7.276 510 2HG ARG 74 2HG ARG 74 1.272 17.578 -9.099 511 2HD ARG 74 2HD ARG 74 -1.136 17.109 -10.582 512 HE ARG 74 HE ARG 74 0.371 14.798 -9.601 513 1HH1 ARG 74 2HH2 ARG 74 0.407 17.516 -11.835 514 2HH1 ARG 74 1HH2 ARG 74 1.553 16.784 -12.908 515 1HH2 ARG 74 2HH1 ARG 74 1.881 13.831 -11.017 516 2HH2 ARG 74 1HH1 ARG 74 2.397 14.673 -12.440 517 H GLY 75 H GLY 75 2.099 18.498 -5.071 518 1HA GLY 75 1HA GLY 75 0.121 18.974 -3.068 519 2HA GLY 75 2HA GLY 75 1.239 17.717 -2.580 520 H GLY 76 H GLY 76 2.814 18.524 -1.269 521 1HA GLY 76 1HA GLY 76 3.660 21.302 -1.624 522 2HA GLY 76 2HA GLY 76 3.976 20.259 -0.253 Start of MODEL 5 1 1H MET 1 1H MET 1 -2.623 -8.531 12.973 2 HA MET 1 HA MET 1 -0.632 -8.169 11.906 3 2HB MET 1 2HB MET 1 -1.255 -8.220 9.439 4 2HG MET 1 2HG MET 1 -1.934 -10.078 11.401 5 1HE MET 1 1HE MET 1 -5.356 -11.852 11.201 6 2HE MET 1 2HE MET 1 -3.861 -12.224 10.310 7 3HE MET 1 3HE MET 1 -3.781 -11.742 12.021 8 H GLN 2 H GLN 2 0.904 -6.763 10.918 9 HA GLN 2 HA GLN 2 -0.047 -4.137 10.200 10 2HB GLN 2 2HB GLN 2 2.122 -4.564 12.302 11 2HG GLN 2 2HG GLN 2 0.940 -1.878 11.910 12 1HE2 GLN 2 1HE2 GLN 2 4.021 -3.037 10.709 13 2HE2 GLN 2 2HE2 GLN 2 5.026 -2.418 11.976 14 H ILE 3 H ILE 3 1.217 -3.162 8.581 15 HA ILE 3 HA ILE 3 3.722 -4.518 7.917 16 HB ILE 3 HB ILE 3 3.070 -4.375 5.509 17 2HG1 ILE 3 2HG1 ILE 3 1.164 -2.728 5.999 18 1HG2 ILE 3 1HG2 ILE 3 2.757 -6.382 7.289 19 2HG2 ILE 3 2HG2 ILE 3 1.084 -6.219 6.701 20 3HG2 ILE 3 3HG2 ILE 3 2.406 -6.530 5.551 21 1HD1 ILE 3 1HD1 ILE 3 1.071 -3.282 3.774 22 2HD1 ILE 3 2HD1 ILE 3 1.247 -5.024 4.099 23 3HD1 ILE 3 3HD1 ILE 3 -0.341 -4.240 4.282 24 H PHE 4 H PHE 4 4.474 -3.022 5.720 25 HA PHE 4 HA PHE 4 4.219 -0.249 6.616 26 2HB PHE 4 2HB PHE 4 6.707 -0.060 6.298 27 HD1 PHE 4 1HD PHE 4 7.221 -3.407 7.330 28 HD2 PHE 4 2HD PHE 4 5.832 0.358 8.708 29 HE1 PHE 4 1HE PHE 4 7.618 -4.128 9.701 30 HE2 PHE 4 2HE PHE 4 6.228 -0.363 11.080 31 HZ PHE 4 HZ PHE 4 7.116 -2.597 11.548 32 H VAL 5 H VAL 5 4.926 1.335 4.914 33 HA VAL 5 HA VAL 5 4.846 0.173 2.228 34 HB VAL 5 HB VAL 5 3.182 2.499 3.216 35 1HG1 VAL 5 1HG1 VAL 5 4.112 2.612 0.835 36 2HG1 VAL 5 2HG1 VAL 5 3.069 1.213 0.479 37 3HG1 VAL 5 3HG1 VAL 5 2.346 2.749 1.018 38 1HG2 VAL 5 1HG2 VAL 5 1.263 1.126 2.983 39 2HG2 VAL 5 2HG2 VAL 5 2.180 -0.153 2.152 40 3HG2 VAL 5 3HG2 VAL 5 2.447 0.151 3.885 41 H LYS 6 H LYS 6 6.117 1.263 0.699 42 HA LYS 6 HA LYS 6 7.826 3.333 1.878 43 2HB LYS 6 2HB LYS 6 8.610 1.961 -0.642 44 2HG LYS 6 2HG LYS 6 9.809 3.532 1.436 45 2HD LYS 6 2HD LYS 6 10.381 0.626 1.636 46 2HE LYS 6 2HE LYS 6 12.586 2.667 1.182 47 1HZ LYS 6 1HZ LYS 6 13.095 1.720 3.255 48 2HZ LYS 6 2HZ LYS 6 12.673 0.213 2.788 49 3HZ LYS 6 3HZ LYS 6 14.010 0.916 2.166 50 H THR 7 H THR 7 8.845 4.216 -0.713 51 HA THR 7 HA THR 7 7.026 4.935 -2.587 52 HB THR 7 HB THR 7 5.491 6.088 -1.272 53 HG1 THR 7 1HG THR 7 6.014 8.134 -1.959 54 1HG2 THR 7 1HG2 THR 7 7.785 6.226 0.642 55 2HG2 THR 7 2HG2 THR 7 6.705 7.642 0.659 56 3HG2 THR 7 3HG2 THR 7 6.047 6.018 0.974 57 H LEU 8 H LEU 8 7.644 7.176 -3.660 58 HA LEU 8 HA LEU 8 10.282 6.971 -4.393 59 2HB LEU 8 2HB LEU 8 9.977 9.129 -5.455 60 HG LEU 8 HG LEU 8 7.379 7.571 -5.569 61 1HD1 LEU 8 1HD1 LEU 8 8.056 8.874 -8.025 62 2HD1 LEU 8 2HD1 LEU 8 6.621 9.087 -6.996 63 3HD1 LEU 8 3HD1 LEU 8 8.076 10.072 -6.709 64 1HD2 LEU 8 1HD2 LEU 8 9.734 7.351 -7.454 65 2HD2 LEU 8 2HD2 LEU 8 9.485 6.267 -6.063 66 3HD2 LEU 8 3HD2 LEU 8 8.282 6.325 -7.374 67 H THR 9 H THR 9 8.902 8.252 -1.474 68 HA THR 9 HA THR 9 11.177 9.954 -0.910 69 HB THR 9 HB THR 9 9.868 10.406 1.169 70 HG1 THR 9 1HG THR 9 8.964 8.317 1.518 71 1HG2 THR 9 1HG2 THR 9 8.877 10.845 -1.505 72 2HG2 THR 9 2HG2 THR 9 7.494 10.373 -0.488 73 3HG2 THR 9 3HG2 THR 9 8.495 11.775 -0.037 74 H GLY 10 H GLY 10 9.855 6.771 0.123 75 1HA GLY 10 1HA GLY 10 11.162 4.978 0.763 76 2HA GLY 10 2HA GLY 10 12.536 6.039 1.007 77 H LYS 11 H LYS 11 9.127 6.082 2.281 78 HA LYS 11 HA LYS 11 10.305 6.257 4.965 79 2HB LYS 11 2HB LYS 11 9.064 8.259 4.255 80 2HG LYS 11 2HG LYS 11 6.888 6.201 3.791 81 2HD LYS 11 2HD LYS 11 6.259 8.166 5.483 82 2HE LYS 11 2HE LYS 11 5.809 9.551 2.810 83 1HZ LYS 11 1HZ LYS 11 5.668 11.424 4.429 84 2HZ LYS 11 2HZ LYS 11 4.451 10.339 4.518 85 3HZ LYS 11 3HZ LYS 11 5.643 10.322 5.633 86 H THR 12 H THR 12 8.694 5.348 6.705 87 HA THR 12 HA THR 12 7.497 2.873 5.654 88 HB THR 12 HB THR 12 9.502 3.315 7.899 89 HG1 THR 12 1HG THR 12 8.981 1.439 5.701 90 1HG2 THR 12 1HG2 THR 12 8.114 1.905 9.151 91 2HG2 THR 12 2HG2 THR 12 7.301 1.259 7.705 92 3HG2 THR 12 3HG2 THR 12 8.925 0.682 8.145 93 H ILE 13 H ILE 13 5.357 3.276 5.790 94 HA ILE 13 HA ILE 13 4.411 4.588 8.222 95 HB ILE 13 HB ILE 13 2.261 4.711 6.915 96 2HG1 ILE 13 2HG1 ILE 13 3.576 2.946 5.191 97 1HG2 ILE 13 1HG2 ILE 13 4.022 6.534 7.190 98 2HG2 ILE 13 2HG2 ILE 13 4.549 6.122 5.541 99 3HG2 ILE 13 3HG2 ILE 13 2.890 6.698 5.827 100 1HD1 ILE 13 1HD1 ILE 13 1.270 4.543 4.148 101 2HD1 ILE 13 2HD1 ILE 13 1.477 2.778 4.251 102 3HD1 ILE 13 3HD1 ILE 13 1.018 3.707 5.699 103 H THR 14 H THR 14 3.445 3.457 9.830 104 HA THR 14 HA THR 14 3.199 0.604 9.499 105 HB THR 14 HB THR 14 3.019 2.639 11.742 106 HG1 THR 14 1HG THR 14 4.307 0.033 11.370 107 1HG2 THR 14 1HG2 THR 14 1.257 1.231 12.509 108 2HG2 THR 14 2HG2 THR 14 1.946 -0.207 11.717 109 3HG2 THR 14 3HG2 THR 14 2.707 0.449 13.186 110 H LEU 15 H LEU 15 1.489 -0.400 8.670 111 HA LEU 15 HA LEU 15 -1.117 0.884 9.107 112 2HB LEU 15 2HB LEU 15 -1.178 -0.719 6.761 113 HG LEU 15 HG LEU 15 -1.459 2.222 7.315 114 1HD1 LEU 15 1HD1 LEU 15 -0.649 2.686 5.279 115 2HD1 LEU 15 2HD1 LEU 15 -0.755 0.994 4.736 116 3HD1 LEU 15 3HD1 LEU 15 -2.198 2.035 4.692 117 1HD2 LEU 15 1HD2 LEU 15 -3.480 1.299 7.783 118 2HD2 LEU 15 2HD2 LEU 15 -3.695 1.524 6.031 119 3HD2 LEU 15 3HD2 LEU 15 -3.243 -0.074 6.675 120 H GLU 16 H GLU 16 -2.925 -0.910 8.612 121 HA GLU 16 HA GLU 16 -2.003 -3.453 9.640 122 2HB GLU 16 2HB GLU 16 -4.197 -3.340 11.140 123 2HG GLU 16 2HG GLU 16 -1.392 -2.525 11.582 124 H VAL 17 H VAL 17 -2.621 -4.845 8.039 125 HA VAL 17 HA VAL 17 -5.402 -4.670 7.155 126 HB VAL 17 HB VAL 17 -4.709 -5.051 4.843 127 1HG1 VAL 17 1HG1 VAL 17 -3.148 -2.629 5.255 128 2HG1 VAL 17 2HG1 VAL 17 -4.748 -2.840 4.505 129 3HG1 VAL 17 3HG1 VAL 17 -4.610 -2.647 6.269 130 1HG2 VAL 17 1HG2 VAL 17 -2.501 -5.103 4.091 131 2HG2 VAL 17 2HG2 VAL 17 -1.869 -4.353 5.577 132 3HG2 VAL 17 3HG2 VAL 17 -2.428 -6.043 5.601 133 H GLU 18 H GLU 18 -6.013 -6.776 5.953 134 HA GLU 18 HA GLU 18 -4.870 -8.919 7.521 135 2HB GLU 18 2HB GLU 18 -7.018 -9.936 6.000 136 2HG GLU 18 2HG GLU 18 -7.726 -8.773 8.635 137 HA PRO 19 HA PRO 19 -2.995 -10.815 4.096 138 2HB PRO 19 2HB PRO 19 -2.122 -12.524 5.367 139 2HG PRO 19 2HG PRO 19 -3.297 -12.986 7.298 140 2HD PRO 19 2HD PRO 19 -4.331 -10.961 7.640 141 H SER 20 H SER 20 -6.302 -11.624 4.634 142 HA SER 20 HA SER 20 -6.489 -12.578 1.915 143 2HB SER 20 2HB SER 20 -7.892 -13.967 3.065 144 HG SER 20 HG SER 20 -8.552 -11.871 4.947 145 H ASP 21 H ASP 21 -6.020 -9.651 2.949 146 HA ASP 21 HA ASP 21 -8.420 -8.394 1.995 147 2HB ASP 21 2HB ASP 21 -6.957 -6.277 2.463 148 H THR 22 H THR 22 -8.491 -7.120 0.032 149 HA THR 22 HA THR 22 -6.505 -7.859 -1.930 150 HB THR 22 HB THR 22 -9.003 -7.842 -2.347 151 HG1 THR 22 1HG THR 22 -7.267 -5.912 -3.721 152 1HG2 THR 22 1HG2 THR 22 -10.226 -5.816 -2.493 153 2HG2 THR 22 2HG2 THR 22 -9.250 -5.545 -1.029 154 3HG2 THR 22 3HG2 THR 22 -8.750 -4.824 -2.578 155 H ILE 23 H ILE 23 -5.382 -6.314 -3.305 156 HA ILE 23 HA ILE 23 -3.912 -4.507 -1.832 157 HB ILE 23 HB ILE 23 -4.420 -4.519 -4.809 158 2HG1 ILE 23 2HG1 ILE 23 -2.148 -5.821 -4.675 159 1HG2 ILE 23 1HG2 ILE 23 -2.615 -3.151 -5.099 160 2HG2 ILE 23 2HG2 ILE 23 -3.221 -2.527 -3.546 161 3HG2 ILE 23 3HG2 ILE 23 -1.842 -3.652 -3.576 162 1HD1 ILE 23 1HD1 ILE 23 -2.088 -5.578 -2.121 163 2HD1 ILE 23 2HD1 ILE 23 -3.469 -6.702 -2.076 164 3HD1 ILE 23 3HD1 ILE 23 -1.907 -7.235 -2.744 165 H GLU 24 H GLU 24 -6.868 -4.019 -3.837 166 HA GLU 24 HA GLU 24 -6.911 -1.292 -3.762 167 2HB GLU 24 2HB GLU 24 -9.250 -3.249 -3.702 168 2HG GLU 24 2HG GLU 24 -10.065 -1.070 -5.168 169 H ASN 25 H ASN 25 -7.855 -3.685 -1.277 170 HA ASN 25 HA ASN 25 -9.205 -1.850 0.344 171 2HB ASN 25 2HB ASN 25 -7.828 -4.511 0.980 172 1HD2 ASN 25 1HD2 ASN 25 -7.015 -3.304 2.884 173 2HD2 ASN 25 2HD2 ASN 25 -8.031 -3.169 4.280 174 H VAL 26 H VAL 26 -5.908 -3.408 0.511 175 HA VAL 26 HA VAL 26 -5.000 -1.995 2.722 176 HB VAL 26 HB VAL 26 -3.287 -2.942 0.431 177 1HG1 VAL 26 1HG1 VAL 26 -2.751 -3.188 3.395 178 2HG1 VAL 26 2HG1 VAL 26 -1.601 -3.267 2.040 179 3HG1 VAL 26 3HG1 VAL 26 -2.345 -1.712 2.485 180 1HG2 VAL 26 1HG2 VAL 26 -4.307 -4.939 0.602 181 2HG2 VAL 26 2HG2 VAL 26 -3.431 -5.090 2.144 182 3HG2 VAL 26 3HG2 VAL 26 -5.112 -4.505 2.129 183 H LYS 27 H LYS 27 -4.986 -1.220 -0.791 184 HA LYS 27 HA LYS 27 -3.470 1.171 -0.377 185 2HB LYS 27 2HB LYS 27 -3.954 -0.480 -2.520 186 2HG LYS 27 2HG LYS 27 -5.422 2.161 -2.976 187 2HD LYS 27 2HD LYS 27 -4.184 1.415 -4.976 188 2HE LYS 27 2HE LYS 27 -5.558 -1.011 -5.626 189 1HZ LYS 27 1HZ LYS 27 -3.168 -0.070 -5.975 190 2HZ LYS 27 2HZ LYS 27 -2.820 -1.016 -4.691 191 3HZ LYS 27 3HZ LYS 27 -3.457 -1.676 -6.041 192 H ALA 28 H ALA 28 -6.730 0.200 0.120 193 HA ALA 28 HA ALA 28 -7.839 2.811 -0.420 194 1HB ALA 28 1HB ALA 28 -8.847 0.106 0.422 195 2HB ALA 28 2HB ALA 28 -9.851 1.537 0.756 196 3HB ALA 28 3HB ALA 28 -9.379 1.151 -0.917 197 H LYS 29 H LYS 29 -6.252 1.100 2.170 198 HA LYS 29 HA LYS 29 -7.480 2.671 4.245 199 2HB LYS 29 2HB LYS 29 -6.203 1.370 5.749 200 2HG LYS 29 2HG LYS 29 -6.283 -0.881 3.920 201 2HD LYS 29 2HD LYS 29 -8.166 -1.571 5.370 202 2HE LYS 29 2HE LYS 29 -5.571 -0.649 6.387 203 1HZ LYS 29 1HZ LYS 29 -6.365 -0.862 8.717 204 2HZ LYS 29 2HZ LYS 29 -6.784 0.534 7.981 205 3HZ LYS 29 3HZ LYS 29 -7.892 -0.649 8.178 206 H ILE 30 H ILE 30 -5.064 3.130 1.866 207 HA ILE 30 HA ILE 30 -3.730 5.135 3.542 208 HB ILE 30 HB ILE 30 -2.242 4.898 1.250 209 2HG1 ILE 30 2HG1 ILE 30 -3.667 2.946 0.583 210 1HG2 ILE 30 1HG2 ILE 30 -2.041 4.203 4.069 211 2HG2 ILE 30 2HG2 ILE 30 -1.071 3.124 3.039 212 3HG2 ILE 30 3HG2 ILE 30 -0.824 4.885 2.965 213 1HD1 ILE 30 1HD1 ILE 30 -1.278 1.430 0.874 214 2HD1 ILE 30 2HD1 ILE 30 -1.778 2.397 -0.534 215 3HD1 ILE 30 3HD1 ILE 30 -0.771 3.131 0.737 216 H GLN 31 H GLN 31 -4.907 4.564 0.150 217 HA GLN 31 HA GLN 31 -4.726 7.064 -0.780 218 2HB GLN 31 2HB GLN 31 -6.876 6.458 -2.120 219 2HG GLN 31 2HG GLN 31 -5.653 4.961 -3.515 220 1HE2 GLN 31 1HE2 GLN 31 -3.087 5.391 -1.193 221 2HE2 GLN 31 2HE2 GLN 31 -2.259 6.697 -1.973 222 H ASP 32 H ASP 32 -6.938 5.861 1.696 223 HA ASP 32 HA ASP 32 -8.583 8.206 1.495 224 2HB ASP 32 2HB ASP 32 -8.831 6.398 3.858 225 H LYS 33 H LYS 33 -6.359 6.538 3.843 226 HA LYS 33 HA LYS 33 -6.430 8.123 5.983 227 2HB LYS 33 2HB LYS 33 -3.789 7.735 5.918 228 2HG LYS 33 2HG LYS 33 -4.382 5.236 6.476 229 2HD LYS 33 2HD LYS 33 -5.817 7.463 7.997 230 2HE LYS 33 2HE LYS 33 -4.536 5.460 9.638 231 1HZ LYS 33 1HZ LYS 33 -6.402 5.853 10.714 232 2HZ LYS 33 2HZ LYS 33 -6.862 6.876 9.528 233 3HZ LYS 33 3HZ LYS 33 -7.340 5.315 9.491 234 H GLU 34 H GLU 34 -4.230 8.795 3.163 235 HA GLU 34 HA GLU 34 -3.790 11.421 4.149 236 2HB GLU 34 2HB GLU 34 -1.898 10.718 3.039 237 2HG GLU 34 2HG GLU 34 -2.308 9.519 0.654 238 H GLY 35 H GLY 35 -5.483 9.953 1.296 239 1HA GLY 35 1HA GLY 35 -7.663 10.856 0.754 240 2HA GLY 35 2HA GLY 35 -7.035 12.461 1.076 241 H ILE 36 H ILE 36 -5.779 9.610 -0.810 242 HA ILE 36 HA ILE 36 -5.840 11.294 -3.194 243 HB ILE 36 HB ILE 36 -3.648 11.679 -2.570 244 2HG1 ILE 36 2HG1 ILE 36 -3.552 11.081 -4.827 245 1HG2 ILE 36 1HG2 ILE 36 -2.531 10.491 -1.065 246 2HG2 ILE 36 2HG2 ILE 36 -3.929 9.393 -0.979 247 3HG2 ILE 36 3HG2 ILE 36 -2.582 9.034 -2.085 248 1HD1 ILE 36 1HD1 ILE 36 -1.405 10.497 -3.206 249 2HD1 ILE 36 2HD1 ILE 36 -1.644 8.942 -4.039 250 3HD1 ILE 36 3HD1 ILE 36 -1.365 10.424 -4.984 251 HA PRO 37 HA PRO 37 -7.386 7.600 -4.824 252 2HB PRO 37 2HB PRO 37 -8.604 8.738 -6.412 253 2HG PRO 37 2HG PRO 37 -7.866 10.880 -6.840 254 2HD PRO 37 2HD PRO 37 -6.786 11.343 -4.862 255 HA PRO 38 HA PRO 38 -4.005 5.193 -5.759 256 2HB PRO 38 2HB PRO 38 -4.828 3.399 -4.574 257 2HG PRO 38 2HG PRO 38 -7.101 3.464 -4.184 258 2HD PRO 38 2HD PRO 38 -7.476 5.727 -4.335 259 H ASP 39 H ASP 39 -6.662 5.564 -7.900 260 HA ASP 39 HA ASP 39 -5.896 4.151 -10.036 261 2HB ASP 39 2HB ASP 39 -6.609 6.850 -10.892 262 H GLN 40 H GLN 40 -4.311 6.926 -8.550 263 HA GLN 40 HA GLN 40 -2.770 7.519 -10.895 264 2HB GLN 40 2HB GLN 40 -1.590 9.061 -9.069 265 2HG GLN 40 2HG GLN 40 -2.935 10.014 -10.859 266 1HE2 GLN 40 1HE2 GLN 40 -4.992 8.774 -8.235 267 2HE2 GLN 40 2HE2 GLN 40 -6.404 8.462 -9.187 268 H GLN 41 H GLN 41 -1.932 6.671 -7.450 269 HA GLN 41 HA GLN 41 0.427 5.357 -8.540 270 2HB GLN 41 2HB GLN 41 1.173 7.011 -7.028 271 2HG GLN 41 2HG GLN 41 -1.172 6.143 -5.285 272 1HE2 GLN 41 1HE2 GLN 41 -0.641 5.921 -3.253 273 2HE2 GLN 41 2HE2 GLN 41 0.476 6.886 -2.347 274 H ARG 42 H ARG 42 1.002 3.221 -7.798 275 HA ARG 42 HA ARG 42 -1.218 1.891 -6.463 276 2HB ARG 42 2HB ARG 42 -0.689 -0.137 -7.803 277 2HG ARG 42 2HG ARG 42 -1.800 2.265 -8.817 278 2HD ARG 42 2HD ARG 42 0.251 1.021 -10.692 279 HE ARG 42 HE ARG 42 -2.411 1.919 -11.418 280 1HH1 ARG 42 2HH2 ARG 42 0.948 1.977 -12.464 281 2HH1 ARG 42 1HH2 ARG 42 0.557 2.171 -14.140 282 1HH2 ARG 42 2HH1 ARG 42 -2.928 2.175 -13.629 283 2HH2 ARG 42 1HH1 ARG 42 -1.663 2.283 -14.807 284 H LEU 43 H LEU 43 -0.288 -0.466 -5.661 285 HA LEU 43 HA LEU 43 2.091 0.217 -4.104 286 2HB LEU 43 2HB LEU 43 1.136 -2.034 -2.962 287 HG LEU 43 HG LEU 43 -0.010 -0.725 -1.297 288 1HD1 LEU 43 1HD1 LEU 43 1.980 -0.137 -0.523 289 2HD1 LEU 43 2HD1 LEU 43 2.657 -0.212 -2.167 290 3HD1 LEU 43 3HD1 LEU 43 1.963 1.310 -1.560 291 1HD2 LEU 43 1HD2 LEU 43 -0.547 1.047 -3.514 292 2HD2 LEU 43 2HD2 LEU 43 -1.305 0.972 -1.905 293 3HD2 LEU 43 3HD2 LEU 43 0.166 1.944 -2.151 294 H ILE 44 H ILE 44 3.876 -1.237 -3.966 295 HA ILE 44 HA ILE 44 3.856 -3.322 -6.031 296 HB ILE 44 HB ILE 44 6.206 -1.537 -5.414 297 2HG1 ILE 44 2HG1 ILE 44 5.712 -0.189 -7.279 298 1HG2 ILE 44 1HG2 ILE 44 7.117 -2.455 -7.486 299 2HG2 ILE 44 2HG2 ILE 44 6.759 -3.745 -6.313 300 3HG2 ILE 44 3HG2 ILE 44 5.666 -3.466 -7.689 301 1HD1 ILE 44 1HD1 ILE 44 3.426 -2.119 -7.893 302 2HD1 ILE 44 2HD1 ILE 44 3.775 -0.613 -8.776 303 3HD1 ILE 44 3HD1 ILE 44 4.933 -1.964 -8.827 304 H PHE 45 H PHE 45 5.159 -5.191 -5.563 305 HA PHE 45 HA PHE 45 6.398 -5.303 -2.960 306 2HB PHE 45 2HB PHE 45 4.129 -7.190 -3.827 307 HD1 PHE 45 1HD PHE 45 5.467 -5.749 -0.649 308 HD2 PHE 45 2HD PHE 45 4.481 -9.245 -2.845 309 HE1 PHE 45 1HE PHE 45 6.039 -7.164 1.344 310 HE2 PHE 45 2HE PHE 45 5.054 -10.659 -0.851 311 HZ PHE 45 HZ PHE 45 5.825 -9.601 1.219 312 H ALA 46 H ALA 46 8.311 -6.321 -3.294 313 HA ALA 46 HA ALA 46 9.835 -7.710 -4.095 314 1HB ALA 46 1HB ALA 46 8.555 -9.851 -5.297 315 2HB ALA 46 2HB ALA 46 8.948 -9.723 -3.566 316 3HB ALA 46 3HB ALA 46 7.330 -9.262 -4.147 317 H GLY 47 H GLY 47 8.537 -5.536 -5.747 318 1HA GLY 47 1HA GLY 47 8.945 -4.682 -7.796 319 2HA GLY 47 2HA GLY 47 9.897 -6.101 -8.187 320 H LYS 48 H LYS 48 6.457 -6.057 -7.101 321 HA LYS 48 HA LYS 48 5.706 -6.928 -9.800 322 2HB LYS 48 2HB LYS 48 4.032 -8.449 -8.575 323 2HG LYS 48 2HG LYS 48 6.666 -8.851 -9.509 324 2HD LYS 48 2HD LYS 48 6.882 -9.121 -6.777 325 2HE LYS 48 2HE LYS 48 6.972 -11.982 -7.401 326 1HZ LYS 48 1HZ LYS 48 5.817 -10.261 -5.343 327 2HZ LYS 48 2HZ LYS 48 5.495 -11.862 -5.361 328 3HZ LYS 48 3HZ LYS 48 7.035 -11.342 -5.205 329 H GLN 49 H GLN 49 3.647 -6.235 -10.525 330 HA GLN 49 HA GLN 49 2.809 -3.843 -9.230 331 2HB GLN 49 2HB GLN 49 1.988 -5.299 -11.763 332 2HG GLN 49 2HG GLN 49 0.790 -2.728 -10.625 333 1HE2 GLN 49 1HE2 GLN 49 -1.384 -4.325 -12.398 334 2HE2 GLN 49 2HE2 GLN 49 -1.177 -3.610 -13.962 335 H LEU 50 H LEU 50 1.873 -4.407 -7.221 336 HA LEU 50 HA LEU 50 0.135 -6.523 -6.823 337 2HB LEU 50 2HB LEU 50 -0.578 -4.424 -5.072 338 HG LEU 50 HG LEU 50 -0.300 -6.647 -4.221 339 1HD1 LEU 50 1HD1 LEU 50 2.091 -7.586 -4.040 340 2HD1 LEU 50 2HD1 LEU 50 1.252 -7.698 -5.605 341 3HD1 LEU 50 3HD1 LEU 50 2.487 -6.441 -5.343 342 1HD2 LEU 50 1HD2 LEU 50 1.122 -4.382 -3.115 343 2HD2 LEU 50 2HD2 LEU 50 0.163 -5.638 -2.298 344 3HD2 LEU 50 3HD2 LEU 50 1.889 -5.916 -2.638 345 H GLU 51 H GLU 51 -1.590 -6.891 -8.146 346 HA GLU 51 HA GLU 51 -3.177 -4.607 -8.916 347 2HB GLU 51 2HB GLU 51 -3.632 -7.498 -9.739 348 2HG GLU 51 2HG GLU 51 -3.974 -5.499 -11.799 349 H ASP 52 H ASP 52 -5.274 -4.209 -8.188 350 HA ASP 52 HA ASP 52 -6.017 -5.078 -5.751 351 2HB ASP 52 2HB ASP 52 -7.502 -3.947 -8.118 352 H GLY 53 H GLY 53 -6.251 -6.690 -8.870 353 1HA GLY 53 1HA GLY 53 -8.420 -8.425 -8.390 354 2HA GLY 53 2HA GLY 53 -7.125 -8.648 -9.548 355 H ARG 54 H ARG 54 -5.361 -8.195 -6.840 356 HA ARG 54 HA ARG 54 -5.666 -10.958 -5.984 357 2HB ARG 54 2HB ARG 54 -3.160 -11.078 -5.773 358 2HG ARG 54 2HG ARG 54 -2.994 -10.379 -8.512 359 2HD ARG 54 2HD ARG 54 -3.191 -12.792 -6.840 360 HE ARG 54 HE ARG 54 -4.838 -13.818 -8.142 361 1HH1 ARG 54 2HH2 ARG 54 -2.789 -11.863 -10.231 362 2HH1 ARG 54 1HH2 ARG 54 -3.530 -12.422 -11.694 363 1HH2 ARG 54 2HH1 ARG 54 -5.815 -14.555 -10.073 364 2HH2 ARG 54 1HH1 ARG 54 -5.262 -13.963 -11.603 365 H THR 55 H THR 55 -4.602 -11.340 -3.754 366 HA THR 55 HA THR 55 -4.879 -8.892 -2.137 367 HB THR 55 HB THR 55 -5.655 -10.456 -0.351 368 HG1 THR 55 1HG THR 55 -4.560 -12.375 -0.945 369 1HG2 THR 55 1HG2 THR 55 -7.053 -11.085 -3.003 370 2HG2 THR 55 2HG2 THR 55 -7.749 -11.264 -1.374 371 3HG2 THR 55 3HG2 THR 55 -7.389 -9.643 -2.015 372 H LEU 56 H LEU 56 -3.817 -9.938 0.259 373 HA LEU 56 HA LEU 56 -1.054 -9.591 -0.332 374 2HB LEU 56 2HB LEU 56 -0.747 -9.586 2.024 375 HG LEU 56 HG LEU 56 -3.514 -8.412 1.690 376 1HD1 LEU 56 1HD1 LEU 56 -2.241 -8.620 3.969 377 2HD1 LEU 56 2HD1 LEU 56 -1.311 -7.234 3.347 378 3HD1 LEU 56 3HD1 LEU 56 -3.077 -7.109 3.535 379 1HD2 LEU 56 1HD2 LEU 56 -2.387 -7.517 -0.159 380 2HD2 LEU 56 2HD2 LEU 56 -2.218 -6.281 1.111 381 3HD2 LEU 56 3HD2 LEU 56 -0.854 -7.359 0.732 382 H SER 57 H SER 57 -3.188 -12.324 0.635 383 HA SER 57 HA SER 57 -1.096 -14.127 1.002 384 2HB SER 57 2HB SER 57 -3.973 -14.730 0.185 385 HG SER 57 HG SER 57 -3.574 -16.753 0.847 386 H ASP 58 H ASP 58 -2.388 -12.635 -1.820 387 HA ASP 58 HA ASP 58 -1.934 -14.835 -3.560 388 2HB ASP 58 2HB ASP 58 -2.036 -12.683 -5.230 389 H TYR 59 H TYR 59 -0.300 -11.787 -2.534 390 HA TYR 59 HA TYR 59 1.973 -12.417 -4.266 391 2HB TYR 59 2HB TYR 59 2.589 -10.038 -3.491 392 HD1 TYR 59 1HD TYR 59 -0.518 -8.676 -3.373 393 HD2 TYR 59 2HD TYR 59 1.894 -10.959 -6.069 394 HE1 TYR 59 1HE TYR 59 -1.850 -7.772 -5.340 395 HE2 TYR 59 2HE TYR 59 0.554 -10.047 -8.029 396 HH TYR 59 HH TYR 59 -1.442 -9.069 -8.540 397 H ASN 60 H ASN 60 0.964 -13.449 -1.348 398 HA ASN 60 HA ASN 60 1.951 -14.292 0.389 399 2HB ASN 60 2HB ASN 60 4.521 -14.560 0.352 400 1HD2 ASN 60 1HD2 ASN 60 2.958 -14.598 -2.839 401 2HD2 ASN 60 2HD2 ASN 60 2.836 -16.318 -3.008 402 H ILE 61 H ILE 61 1.251 -11.485 0.362 403 HA ILE 61 HA ILE 61 3.449 -10.039 1.539 404 HB ILE 61 HB ILE 61 0.644 -9.414 0.709 405 2HG1 ILE 61 2HG1 ILE 61 2.815 -9.338 -0.752 406 1HG2 ILE 61 1HG2 ILE 61 0.589 -8.291 2.748 407 2HG2 ILE 61 2HG2 ILE 61 2.316 -7.863 2.675 408 3HG2 ILE 61 3HG2 ILE 61 1.151 -7.050 1.603 409 1HD1 ILE 61 1HD1 ILE 61 0.355 -8.190 -0.976 410 2HD1 ILE 61 2HD1 ILE 61 1.365 -6.726 -0.895 411 3HD1 ILE 61 3HD1 ILE 61 1.655 -7.938 -2.165 412 H GLN 62 H GLN 62 3.966 -11.215 3.434 413 HA GLN 62 HA GLN 62 1.882 -11.790 5.282 414 2HB GLN 62 2HB GLN 62 3.913 -13.233 4.991 415 2HG GLN 62 2HG GLN 62 5.323 -10.929 6.420 416 1HE2 GLN 62 1HE2 GLN 62 5.652 -12.680 8.027 417 2HE2 GLN 62 2HE2 GLN 62 6.965 -13.785 7.794 418 H LYS 63 H LYS 63 3.235 -11.178 7.766 419 HA LYS 63 HA LYS 63 2.413 -8.477 8.039 420 2HB LYS 63 2HB LYS 63 3.128 -8.785 10.388 421 2HG LYS 63 2HG LYS 63 1.732 -11.339 9.566 422 2HD LYS 63 2HD LYS 63 0.176 -9.924 11.389 423 2HE LYS 63 2HE LYS 63 1.966 -12.257 11.398 424 1HZ LYS 63 1HZ LYS 63 2.818 -10.772 13.245 425 2HZ LYS 63 2HZ LYS 63 1.413 -11.085 14.016 426 3HZ LYS 63 3HZ LYS 63 2.428 -12.308 13.640 427 H GLU 64 H GLU 64 4.010 -6.937 9.358 428 HA GLU 64 HA GLU 64 5.605 -5.483 8.905 429 2HB GLU 64 2HB GLU 64 7.805 -6.266 9.590 430 2HG GLU 64 2HG GLU 64 5.351 -7.243 10.922 431 H SER 65 H SER 65 4.493 -6.041 6.475 432 HA SER 65 HA SER 65 6.630 -6.834 4.713 433 2HB SER 65 2HB SER 65 4.213 -7.608 4.438 434 HG SER 65 HG SER 65 3.867 -4.952 3.340 435 H THR 66 H THR 66 7.367 -5.437 2.932 436 HA THR 66 HA THR 66 6.787 -2.586 3.377 437 HB THR 66 HB THR 66 9.508 -3.894 2.844 438 HG1 THR 66 1HG THR 66 9.263 -4.082 5.044 439 1HG2 THR 66 1HG2 THR 66 9.196 -1.499 1.974 440 2HG2 THR 66 2HG2 THR 66 8.819 -1.023 3.647 441 3HG2 THR 66 3HG2 THR 66 10.428 -1.669 3.248 442 H LEU 67 H LEU 67 5.525 -2.062 1.682 443 HA LEU 67 HA LEU 67 6.093 -3.257 -0.888 444 2HB LEU 67 2HB LEU 67 4.070 -2.003 -1.584 445 HG LEU 67 HG LEU 67 4.116 -4.226 0.158 446 1HD1 LEU 67 1HD1 LEU 67 2.928 -2.124 1.545 447 2HD1 LEU 67 2HD1 LEU 67 1.560 -3.053 0.886 448 3HD1 LEU 67 3HD1 LEU 67 2.780 -3.863 1.898 449 1HD2 LEU 67 1HD2 LEU 67 2.096 -4.855 -0.975 450 2HD2 LEU 67 2HD2 LEU 67 1.787 -3.172 -1.464 451 3HD2 LEU 67 3HD2 LEU 67 3.175 -4.056 -2.143 452 H HIS 68 H HIS 68 5.834 -1.515 -2.815 453 HA HIS 68 HA HIS 68 7.552 0.748 -2.124 454 2HB HIS 68 2HB HIS 68 8.847 0.420 -4.145 455 HD1 HIS 68 1HD HIS 68 11.084 -0.509 -3.539 456 HD2 HIS 68 2HD HIS 68 7.946 -2.823 -1.993 457 HE1 HIS 68 1HE HIS 68 12.171 -2.335 -2.127 458 H LEU 69 H LEU 69 6.586 2.642 -2.642 459 HA LEU 69 HA LEU 69 4.244 2.558 -4.320 460 2HB LEU 69 2HB LEU 69 5.105 5.189 -3.475 461 HG LEU 69 HG LEU 69 2.773 3.524 -2.492 462 1HD1 LEU 69 1HD1 LEU 69 1.843 5.482 -1.627 463 2HD1 LEU 69 2HD1 LEU 69 3.562 5.590 -1.180 464 3HD1 LEU 69 3HD1 LEU 69 2.939 6.531 -2.556 465 1HD2 LEU 69 1HD2 LEU 69 2.826 5.511 -4.780 466 2HD2 LEU 69 2HD2 LEU 69 2.752 3.740 -4.948 467 3HD2 LEU 69 3HD2 LEU 69 1.411 4.617 -4.174 468 H VAL 70 H VAL 70 4.031 3.409 -6.381 469 HA VAL 70 HA VAL 70 6.543 3.883 -7.743 470 HB VAL 70 HB VAL 70 5.278 3.616 -9.746 471 1HG1 VAL 70 1HG1 VAL 70 4.566 1.654 -7.557 472 2HG1 VAL 70 2HG1 VAL 70 4.090 1.395 -9.253 473 3HG1 VAL 70 3HG1 VAL 70 5.813 1.514 -8.820 474 1HG2 VAL 70 1HG2 VAL 70 3.312 4.910 -9.305 475 2HG2 VAL 70 2HG2 VAL 70 2.786 3.248 -9.661 476 3HG2 VAL 70 3HG2 VAL 70 2.822 3.828 -7.979 477 H LEU 71 H LEU 71 5.896 5.640 -9.754 478 HA LEU 71 HA LEU 71 6.389 8.071 -8.751 479 2HB LEU 71 2HB LEU 71 5.096 8.898 -10.847 480 HG LEU 71 HG LEU 71 6.777 8.043 -12.425 481 1HD1 LEU 71 1HD1 LEU 71 8.424 9.389 -11.645 482 2HD1 LEU 71 2HD1 LEU 71 7.166 9.828 -10.465 483 3HD1 LEU 71 3HD1 LEU 71 8.425 8.647 -10.026 484 1HD2 LEU 71 1HD2 LEU 71 8.482 6.472 -11.785 485 2HD2 LEU 71 2HD2 LEU 71 7.828 6.365 -10.133 486 3HD2 LEU 71 3HD2 LEU 71 6.886 5.734 -11.505 487 H ARG 72 H ARG 72 5.121 10.012 -8.305 488 HA ARG 72 HA ARG 72 2.527 9.265 -7.219 489 2HB ARG 72 2HB ARG 72 2.995 11.519 -5.859 490 2HG ARG 72 2HG ARG 72 4.856 9.404 -4.907 491 2HD ARG 72 2HD ARG 72 2.225 10.342 -3.697 492 HE ARG 72 HE ARG 72 4.148 8.555 -2.769 493 1HH1 ARG 72 2HH2 ARG 72 2.910 11.660 -1.669 494 2HH1 ARG 72 1HH2 ARG 72 3.206 11.329 0.005 495 1HH2 ARG 72 2HH1 ARG 72 4.539 8.118 -0.561 496 2HH2 ARG 72 1HH1 ARG 72 4.139 9.300 0.639 497 H LEU 73 H LEU 73 1.225 9.753 -9.055 498 HA LEU 73 HA LEU 73 1.572 11.903 -10.742 499 2HB LEU 73 2HB LEU 73 -0.585 11.436 -11.548 500 HG LEU 73 HG LEU 73 -0.114 8.730 -10.369 501 1HD1 LEU 73 1HD1 LEU 73 -1.304 8.054 -12.121 502 2HD1 LEU 73 2HD1 LEU 73 -1.636 9.769 -12.463 503 3HD1 LEU 73 3HD1 LEU 73 -0.269 8.952 -13.260 504 1HD2 LEU 73 1HD2 LEU 73 1.915 10.289 -11.883 505 2HD2 LEU 73 2HD2 LEU 73 2.114 8.978 -10.695 506 3HD2 LEU 73 3HD2 LEU 73 1.659 8.597 -12.372 507 H ARG 74 H ARG 74 -0.651 13.501 -10.844 508 HA ARG 74 HA ARG 74 -0.943 14.643 -8.219 509 2HB ARG 74 2HB ARG 74 0.981 15.890 -9.038 510 2HG ARG 74 2HG ARG 74 0.609 17.255 -11.239 511 2HD ARG 74 2HD ARG 74 1.533 14.501 -10.793 512 HE ARG 74 HE ARG 74 0.591 13.598 -12.724 513 1HH1 ARG 74 2HH2 ARG 74 1.269 17.004 -13.296 514 2HH1 ARG 74 1HH2 ARG 74 0.797 16.949 -14.962 515 1HH2 ARG 74 2HH1 ARG 74 -0.032 13.526 -14.922 516 2HH2 ARG 74 1HH1 ARG 74 0.051 14.958 -15.893 517 H GLY 75 H GLY 75 -2.561 16.659 -8.436 518 1HA GLY 75 1HA GLY 75 -4.412 16.310 -10.683 519 2HA GLY 75 2HA GLY 75 -5.013 16.012 -9.065 520 H GLY 76 H GLY 76 -4.037 17.899 -7.424 521 1HA GLY 76 1HA GLY 76 -4.109 20.514 -8.684 522 2HA GLY 76 2HA GLY 76 -5.498 20.119 -7.691 Start of MODEL 6 1 1H MET 1 1H MET 1 -2.231 -7.295 13.307 2 HA MET 1 HA MET 1 -0.362 -8.154 12.180 3 2HB MET 1 2HB MET 1 -0.629 -8.186 9.544 4 2HG MET 1 2HG MET 1 -2.276 -10.411 10.136 5 1HE MET 1 1HE MET 1 -0.833 -12.400 11.134 6 2HE MET 1 2HE MET 1 -0.299 -13.030 9.558 7 3HE MET 1 3HE MET 1 0.901 -12.642 10.814 8 H GLN 2 H GLN 2 1.255 -6.799 11.091 9 HA GLN 2 HA GLN 2 0.254 -4.157 10.414 10 2HB GLN 2 2HB GLN 2 2.842 -4.013 11.771 11 2HG GLN 2 2HG GLN 2 0.107 -2.739 11.959 12 1HE2 GLN 2 1HE2 GLN 2 3.311 -2.145 13.382 13 2HE2 GLN 2 2HE2 GLN 2 2.782 -1.841 15.004 14 H ILE 3 H ILE 3 1.442 -3.078 8.767 15 HA ILE 3 HA ILE 3 3.783 -4.493 7.747 16 HB ILE 3 HB ILE 3 2.937 -4.348 5.464 17 2HG1 ILE 3 2HG1 ILE 3 1.289 -2.434 6.135 18 1HG2 ILE 3 1HG2 ILE 3 0.745 -5.865 6.715 19 2HG2 ILE 3 2HG2 ILE 3 2.026 -6.393 5.597 20 3HG2 ILE 3 3HG2 ILE 3 2.368 -6.248 7.338 21 1HD1 ILE 3 1HD1 ILE 3 0.501 -2.641 4.005 22 2HD1 ILE 3 2HD1 ILE 3 1.564 -4.065 3.905 23 3HD1 ILE 3 3HD1 ILE 3 -0.156 -4.266 4.314 24 H PHE 4 H PHE 4 4.322 -2.904 5.541 25 HA PHE 4 HA PHE 4 4.145 -0.154 6.455 26 2HB PHE 4 2HB PHE 4 6.638 0.052 6.283 27 HD1 PHE 4 1HD PHE 4 5.867 0.536 8.640 28 HD2 PHE 4 2HD PHE 4 6.908 -3.368 7.344 29 HE1 PHE 4 1HE PHE 4 6.149 -0.182 11.029 30 HE2 PHE 4 2HE PHE 4 7.190 -4.086 9.733 31 HZ PHE 4 HZ PHE 4 6.807 -2.484 11.547 32 H VAL 5 H VAL 5 5.018 1.386 4.752 33 HA VAL 5 HA VAL 5 5.080 0.171 2.097 34 HB VAL 5 HB VAL 5 3.276 2.445 2.948 35 1HG1 VAL 5 1HG1 VAL 5 3.388 1.188 0.201 36 2HG1 VAL 5 2HG1 VAL 5 2.616 2.711 0.702 37 3HG1 VAL 5 3HG1 VAL 5 4.391 2.591 0.636 38 1HG2 VAL 5 1HG2 VAL 5 1.436 1.010 2.592 39 2HG2 VAL 5 2HG2 VAL 5 2.437 -0.212 1.772 40 3HG2 VAL 5 3HG2 VAL 5 2.601 0.042 3.526 41 H LYS 6 H LYS 6 6.412 1.269 0.623 42 HA LYS 6 HA LYS 6 8.057 3.333 1.879 43 2HB LYS 6 2HB LYS 6 9.244 2.582 -0.529 44 2HG LYS 6 2HG LYS 6 9.696 1.393 2.248 45 2HD LYS 6 2HD LYS 6 11.276 1.510 -0.311 46 2HE LYS 6 2HE LYS 6 12.768 1.219 2.296 47 1HZ LYS 6 1HZ LYS 6 14.529 1.919 0.931 48 2HZ LYS 6 2HZ LYS 6 13.706 0.813 0.056 49 3HZ LYS 6 3HZ LYS 6 13.541 2.403 -0.275 50 H THR 7 H THR 7 9.083 4.500 -0.509 51 HA THR 7 HA THR 7 7.278 5.281 -2.405 52 HB THR 7 HB THR 7 5.701 6.341 -1.081 53 HG1 THR 7 1HG THR 7 6.257 8.479 -1.407 54 1HG2 THR 7 1HG2 THR 7 6.718 7.642 1.084 55 2HG2 THR 7 2HG2 THR 7 6.202 5.940 1.161 56 3HG2 THR 7 3HG2 THR 7 7.924 6.339 0.948 57 H LEU 8 H LEU 8 7.894 7.506 -3.397 58 HA LEU 8 HA LEU 8 10.595 7.419 -3.957 59 2HB LEU 8 2HB LEU 8 10.248 9.490 -5.122 60 HG LEU 8 HG LEU 8 7.656 7.927 -5.279 61 1HD1 LEU 8 1HD1 LEU 8 8.342 10.356 -6.464 62 2HD1 LEU 8 2HD1 LEU 8 8.604 9.142 -7.738 63 3HD1 LEU 8 3HD1 LEU 8 7.019 9.262 -6.938 64 1HD2 LEU 8 1HD2 LEU 8 8.733 6.738 -7.172 65 2HD2 LEU 8 2HD2 LEU 8 10.273 7.523 -6.750 66 3HD2 LEU 8 3HD2 LEU 8 9.499 6.407 -5.600 67 H THR 9 H THR 9 8.934 8.644 -1.167 68 HA THR 9 HA THR 9 11.032 10.513 -0.473 69 HB THR 9 HB THR 9 9.549 10.707 1.610 70 HG1 THR 9 1HG THR 9 7.413 9.522 1.081 71 1HG2 THR 9 1HG2 THR 9 7.483 10.879 -0.473 72 2HG2 THR 9 2HG2 THR 9 8.225 12.190 0.474 73 3HG2 THR 9 3HG2 THR 9 9.007 11.617 -1.019 74 H GLY 10 H GLY 10 10.200 7.126 0.071 75 1HA GLY 10 1HA GLY 10 11.473 5.487 0.965 76 2HA GLY 10 2HA GLY 10 12.769 6.638 1.221 77 H LYS 11 H LYS 11 9.393 6.070 2.469 78 HA LYS 11 HA LYS 11 10.512 6.372 5.165 79 2HB LYS 11 2HB LYS 11 7.790 7.206 5.170 80 2HG LYS 11 2HG LYS 11 10.460 8.651 5.487 81 2HD LYS 11 2HD LYS 11 8.454 10.161 4.898 82 2HE LYS 11 2HE LYS 11 7.055 8.557 6.640 83 1HZ LYS 11 1HZ LYS 11 6.894 9.528 8.659 84 2HZ LYS 11 2HZ LYS 11 8.469 9.851 8.372 85 3HZ LYS 11 3HZ LYS 11 7.343 11.014 8.150 86 H THR 12 H THR 12 8.589 5.547 6.779 87 HA THR 12 HA THR 12 7.517 3.065 5.630 88 HB THR 12 HB THR 12 9.381 3.460 7.996 89 HG1 THR 12 1HG THR 12 10.289 1.600 6.846 90 1HG2 THR 12 1HG2 THR 12 7.950 0.837 7.561 91 2HG2 THR 12 2HG2 THR 12 8.688 1.484 9.047 92 3HG2 THR 12 3HG2 THR 12 7.107 2.092 8.501 93 H ILE 13 H ILE 13 5.369 3.276 5.702 94 HA ILE 13 HA ILE 13 4.249 4.712 7.989 95 HB ILE 13 HB ILE 13 2.143 4.504 6.494 96 2HG1 ILE 13 2HG1 ILE 13 2.317 3.893 4.320 97 1HG2 ILE 13 1HG2 ILE 13 3.364 6.583 7.041 98 2HG2 ILE 13 2HG2 ILE 13 4.433 6.299 5.648 99 3HG2 ILE 13 3HG2 ILE 13 2.695 6.584 5.392 100 1HD1 ILE 13 1HD1 ILE 13 3.932 5.665 3.701 101 2HD1 ILE 13 2HD1 ILE 13 5.261 4.702 4.390 102 3HD1 ILE 13 3HD1 ILE 13 4.386 4.114 2.956 103 H THR 14 H THR 14 3.404 3.595 9.660 104 HA THR 14 HA THR 14 3.185 0.732 9.436 105 HB THR 14 HB THR 14 3.089 2.854 11.581 106 HG1 THR 14 1HG THR 14 4.202 0.156 11.251 107 1HG2 THR 14 1HG2 THR 14 2.507 1.021 13.233 108 2HG2 THR 14 2HG2 THR 14 1.131 1.483 12.204 109 3HG2 THR 14 3HG2 THR 14 2.036 -0.010 11.861 110 H LEU 15 H LEU 15 1.475 -0.338 8.690 111 HA LEU 15 HA LEU 15 -1.145 0.900 9.145 112 2HB LEU 15 2HB LEU 15 -1.492 -0.522 6.841 113 HG LEU 15 HG LEU 15 -1.460 2.260 7.546 114 1HD1 LEU 15 1HD1 LEU 15 -0.507 3.375 5.788 115 2HD1 LEU 15 2HD1 LEU 15 0.625 2.011 5.948 116 3HD1 LEU 15 3HD1 LEU 15 -0.630 1.983 4.685 117 1HD2 LEU 15 1HD2 LEU 15 -3.425 1.009 6.824 118 2HD2 LEU 15 2HD2 LEU 15 -3.141 2.414 5.770 119 3HD2 LEU 15 3HD2 LEU 15 -2.707 0.782 5.211 120 H GLU 16 H GLU 16 -2.954 -0.759 9.060 121 HA GLU 16 HA GLU 16 -1.940 -3.362 9.882 122 2HB GLU 16 2HB GLU 16 -2.518 -2.229 11.942 123 2HG GLU 16 2HG GLU 16 -5.359 -1.810 10.973 124 H VAL 17 H VAL 17 -2.451 -4.198 7.779 125 HA VAL 17 HA VAL 17 -5.326 -4.197 7.174 126 HB VAL 17 HB VAL 17 -4.485 -4.794 4.847 127 1HG1 VAL 17 1HG1 VAL 17 -5.319 -2.691 4.779 128 2HG1 VAL 17 2HG1 VAL 17 -4.420 -2.170 6.225 129 3HG1 VAL 17 3HG1 VAL 17 -3.605 -2.233 4.643 130 1HG2 VAL 17 1HG2 VAL 17 -2.296 -4.801 4.317 131 2HG2 VAL 17 2HG2 VAL 17 -1.937 -3.399 5.353 132 3HG2 VAL 17 3HG2 VAL 17 -2.041 -5.028 6.063 133 H GLU 18 H GLU 18 -5.811 -6.310 5.724 134 HA GLU 18 HA GLU 18 -4.855 -8.484 7.395 135 2HB GLU 18 2HB GLU 18 -6.917 -9.545 5.899 136 2HG GLU 18 2HG GLU 18 -7.698 -7.923 8.302 137 HA PRO 19 HA PRO 19 -2.671 -10.121 4.014 138 2HB PRO 19 2HB PRO 19 -1.301 -11.344 5.402 139 2HG PRO 19 2HG PRO 19 -2.166 -11.744 7.502 140 2HD PRO 19 2HD PRO 19 -3.643 -9.990 7.676 141 H SER 20 H SER 20 -5.801 -10.764 4.621 142 HA SER 20 HA SER 20 -5.905 -12.510 2.286 143 2HB SER 20 2HB SER 20 -7.989 -13.431 3.163 144 HG SER 20 HG SER 20 -6.068 -14.353 4.101 145 H ASP 21 H ASP 21 -6.010 -9.371 2.971 146 HA ASP 21 HA ASP 21 -8.579 -8.772 1.835 147 2HB ASP 21 2HB ASP 21 -7.366 -7.467 3.734 148 H THR 22 H THR 22 -8.701 -7.304 -0.132 149 HA THR 22 HA THR 22 -6.764 -8.129 -2.107 150 HB THR 22 HB THR 22 -9.235 -8.096 -2.533 151 HG1 THR 22 1HG THR 22 -7.620 -7.671 -4.245 152 1HG2 THR 22 1HG2 THR 22 -10.444 -6.018 -2.728 153 2HG2 THR 22 2HG2 THR 22 -9.627 -5.928 -1.149 154 3HG2 THR 22 3HG2 THR 22 -8.958 -5.055 -2.549 155 H ILE 23 H ILE 23 -5.377 -6.816 -3.315 156 HA ILE 23 HA ILE 23 -3.940 -4.962 -1.984 157 HB ILE 23 HB ILE 23 -4.481 -5.122 -4.951 158 2HG1 ILE 23 2HG1 ILE 23 -2.167 -6.303 -4.791 159 1HG2 ILE 23 1HG2 ILE 23 -1.867 -4.175 -4.409 160 2HG2 ILE 23 2HG2 ILE 23 -3.209 -3.328 -5.215 161 3HG2 ILE 23 3HG2 ILE 23 -2.995 -3.184 -3.454 162 1HD1 ILE 23 1HD1 ILE 23 -3.304 -6.885 -2.019 163 2HD1 ILE 23 2HD1 ILE 23 -1.817 -7.559 -2.731 164 3HD1 ILE 23 3HD1 ILE 23 -1.903 -5.828 -2.320 165 H GLU 24 H GLU 24 -7.033 -4.504 -3.702 166 HA GLU 24 HA GLU 24 -6.967 -1.752 -3.831 167 2HB GLU 24 2HB GLU 24 -9.665 -2.653 -3.335 168 2HG GLU 24 2HG GLU 24 -9.429 -2.507 -6.058 169 H ASN 25 H ASN 25 -8.023 -3.992 -1.211 170 HA ASN 25 HA ASN 25 -9.170 -2.098 0.415 171 2HB ASN 25 2HB ASN 25 -7.558 -4.371 1.608 172 1HD2 ASN 25 1HD2 ASN 25 -8.888 -1.814 2.392 173 2HD2 ASN 25 2HD2 ASN 25 -10.080 -2.234 3.577 174 H VAL 26 H VAL 26 -5.779 -3.383 0.203 175 HA VAL 26 HA VAL 26 -4.779 -1.833 2.331 176 HB VAL 26 HB VAL 26 -3.342 -3.051 -0.036 177 1HG1 VAL 26 1HG1 VAL 26 -2.160 -2.694 2.707 178 2HG1 VAL 26 2HG1 VAL 26 -1.349 -2.832 1.128 179 3HG1 VAL 26 3HG1 VAL 26 -2.189 -1.326 1.569 180 1HG2 VAL 26 1HG2 VAL 26 -4.698 -4.742 1.067 181 2HG2 VAL 26 2HG2 VAL 26 -2.980 -5.002 1.453 182 3HG2 VAL 26 3HG2 VAL 26 -4.060 -4.258 2.657 183 H LYS 27 H LYS 27 -4.949 -1.373 -1.245 184 HA LYS 27 HA LYS 27 -3.596 1.150 -1.066 185 2HB LYS 27 2HB LYS 27 -4.200 -0.749 -3.088 186 2HG LYS 27 2HG LYS 27 -5.144 2.076 -3.766 187 2HD LYS 27 2HD LYS 27 -4.238 1.183 -5.758 188 2HE LYS 27 2HE LYS 27 -5.190 -1.484 -4.661 189 1HZ LYS 27 1HZ LYS 27 -4.811 -2.426 -6.754 190 2HZ LYS 27 2HZ LYS 27 -5.830 -1.180 -7.029 191 3HZ LYS 27 3HZ LYS 27 -4.246 -1.037 -7.401 192 H ALA 28 H ALA 28 -6.564 0.161 -0.010 193 HA ALA 28 HA ALA 28 -7.988 2.516 -0.977 194 1HB ALA 28 1HB ALA 28 -8.704 -0.120 0.263 195 2HB ALA 28 2HB ALA 28 -9.797 1.259 0.538 196 3HB ALA 28 3HB ALA 28 -9.437 0.726 -1.121 197 H LYS 29 H LYS 29 -6.558 1.030 1.952 198 HA LYS 29 HA LYS 29 -7.658 2.866 3.773 199 2HB LYS 29 2HB LYS 29 -5.209 1.940 4.801 200 2HG LYS 29 2HG LYS 29 -7.994 0.690 4.953 201 2HD LYS 29 2HD LYS 29 -5.919 0.732 7.160 202 2HE LYS 29 2HE LYS 29 -8.352 0.037 7.532 203 1HZ LYS 29 1HZ LYS 29 -9.052 -1.218 5.836 204 2HZ LYS 29 2HZ LYS 29 -7.572 -1.796 5.456 205 3HZ LYS 29 3HZ LYS 29 -8.412 -2.452 6.693 206 H ILE 30 H ILE 30 -4.232 2.640 2.566 207 HA ILE 30 HA ILE 30 -3.353 5.021 3.506 208 HB ILE 30 HB ILE 30 -1.947 4.942 1.274 209 2HG1 ILE 30 2HG1 ILE 30 -3.797 3.002 0.651 210 1HG2 ILE 30 1HG2 ILE 30 -1.076 2.634 2.681 211 2HG2 ILE 30 2HG2 ILE 30 -0.461 4.301 2.788 212 3HG2 ILE 30 3HG2 ILE 30 -1.766 3.762 3.872 213 1HD1 ILE 30 1HD1 ILE 30 -1.172 2.469 -0.550 214 2HD1 ILE 30 2HD1 ILE 30 -2.656 3.093 -1.309 215 3HD1 ILE 30 3HD1 ILE 30 -1.535 4.211 -0.496 216 H GLN 31 H GLN 31 -4.846 4.478 0.235 217 HA GLN 31 HA GLN 31 -4.819 7.082 -0.547 218 2HB GLN 31 2HB GLN 31 -6.823 6.401 -1.992 219 2HG GLN 31 2HG GLN 31 -5.522 4.910 -3.361 220 1HE2 GLN 31 1HE2 GLN 31 -3.054 5.578 -0.979 221 2HE2 GLN 31 2HE2 GLN 31 -2.296 6.916 -1.775 222 H ASP 32 H ASP 32 -6.762 5.532 1.918 223 HA ASP 32 HA ASP 32 -8.733 7.621 1.853 224 2HB ASP 32 2HB ASP 32 -9.030 6.096 4.224 225 H LYS 33 H LYS 33 -5.992 6.369 3.846 226 HA LYS 33 HA LYS 33 -6.246 7.848 6.111 227 2HB LYS 33 2HB LYS 33 -3.551 7.852 5.781 228 2HG LYS 33 2HG LYS 33 -3.887 5.271 6.478 229 2HD LYS 33 2HD LYS 33 -5.043 6.563 8.689 230 2HE LYS 33 2HE LYS 33 -2.488 5.486 7.884 231 1HZ LYS 33 1HZ LYS 33 -1.033 7.003 8.570 232 2HZ LYS 33 2HZ LYS 33 -2.199 8.098 8.244 233 3HZ LYS 33 3HZ LYS 33 -1.977 7.574 9.774 234 H GLU 34 H GLU 34 -4.365 8.855 3.163 235 HA GLU 34 HA GLU 34 -4.236 11.509 4.181 236 2HB GLU 34 2HB GLU 34 -2.333 11.183 2.952 237 2HG GLU 34 2HG GLU 34 -2.556 9.772 0.693 238 H GLY 35 H GLY 35 -5.787 9.880 1.327 239 1HA GLY 35 1HA GLY 35 -8.128 10.455 0.941 240 2HA GLY 35 2HA GLY 35 -7.707 12.130 1.240 241 H ILE 36 H ILE 36 -5.631 9.818 -0.557 242 HA ILE 36 HA ILE 36 -6.205 11.380 -2.980 243 HB ILE 36 HB ILE 36 -4.075 12.032 -2.542 244 2HG1 ILE 36 2HG1 ILE 36 -3.836 11.214 -4.702 245 1HG2 ILE 36 1HG2 ILE 36 -3.461 9.294 -1.395 246 2HG2 ILE 36 2HG2 ILE 36 -2.336 10.671 -1.477 247 3HG2 ILE 36 3HG2 ILE 36 -3.801 10.777 -0.470 248 1HD1 ILE 36 1HD1 ILE 36 -1.781 9.624 -3.099 249 2HD1 ILE 36 2HD1 ILE 36 -1.644 10.100 -4.809 250 3HD1 ILE 36 3HD1 ILE 36 -1.623 11.342 -3.534 251 HA PRO 37 HA PRO 37 -7.323 7.564 -4.679 252 2HB PRO 37 2HB PRO 37 -8.689 8.583 -6.226 253 2HG PRO 37 2HG PRO 37 -8.212 10.806 -6.617 254 2HD PRO 37 2HD PRO 37 -7.167 11.351 -4.644 255 HA PRO 38 HA PRO 38 -3.719 5.568 -5.730 256 2HB PRO 38 2HB PRO 38 -4.355 3.638 -4.647 257 2HG PRO 38 2HG PRO 38 -6.624 3.442 -4.283 258 2HD PRO 38 2HD PRO 38 -7.237 5.657 -4.321 259 H ASP 39 H ASP 39 -6.364 5.849 -7.876 260 HA ASP 39 HA ASP 39 -5.611 4.623 -10.080 261 2HB ASP 39 2HB ASP 39 -6.247 7.102 -11.136 262 H GLN 40 H GLN 40 -3.988 7.356 -8.493 263 HA GLN 40 HA GLN 40 -2.291 7.789 -10.783 264 2HB GLN 40 2HB GLN 40 -1.290 9.584 -9.229 265 2HG GLN 40 2HG GLN 40 -2.920 10.233 -10.928 266 1HE2 GLN 40 1HE2 GLN 40 -4.703 9.570 -7.912 267 2HE2 GLN 40 2HE2 GLN 40 -6.131 8.915 -8.642 268 H GLN 41 H GLN 41 -2.064 6.786 -7.307 269 HA GLN 41 HA GLN 41 0.699 6.179 -7.606 270 2HB GLN 41 2HB GLN 41 0.538 5.412 -5.263 271 2HG GLN 41 2HG GLN 41 -0.897 7.572 -4.447 272 1HE2 GLN 41 1HE2 GLN 41 1.545 7.830 -7.006 273 2HE2 GLN 41 2HE2 GLN 41 2.876 8.305 -6.004 274 H ARG 42 H ARG 42 0.951 3.743 -6.161 275 HA ARG 42 HA ARG 42 -0.695 1.734 -7.028 276 2HB ARG 42 2HB ARG 42 1.636 1.082 -8.623 277 2HG ARG 42 2HG ARG 42 -1.179 1.805 -9.555 278 2HD ARG 42 2HD ARG 42 0.029 -0.505 -10.815 279 HE ARG 42 HE ARG 42 -0.282 1.980 -12.335 280 1HH1 ARG 42 2HH2 ARG 42 -1.974 -0.736 -10.874 281 2HH1 ARG 42 1HH2 ARG 42 -3.362 -0.589 -11.898 282 1HH2 ARG 42 2HH1 ARG 42 -2.114 2.175 -13.689 283 2HH2 ARG 42 1HH1 ARG 42 -3.441 1.079 -13.511 284 H LEU 43 H LEU 43 -0.169 -0.101 -5.809 285 HA LEU 43 HA LEU 43 2.162 0.121 -4.137 286 2HB LEU 43 2HB LEU 43 1.125 -2.165 -3.348 287 HG LEU 43 HG LEU 43 -0.558 -1.030 -1.942 288 1HD1 LEU 43 1HD1 LEU 43 1.692 0.863 -1.729 289 2HD1 LEU 43 2HD1 LEU 43 1.022 -0.278 -0.537 290 3HD1 LEU 43 3HD1 LEU 43 2.155 -0.855 -1.783 291 1HD2 LEU 43 1HD2 LEU 43 -0.988 0.682 -3.935 292 2HD2 LEU 43 2HD2 LEU 43 -1.311 1.097 -2.235 293 3HD2 LEU 43 3HD2 LEU 43 0.191 1.648 -3.015 294 H ILE 44 H ILE 44 3.800 -1.564 -3.934 295 HA ILE 44 HA ILE 44 3.978 -3.364 -6.214 296 HB ILE 44 HB ILE 44 6.197 -1.455 -5.473 297 2HG1 ILE 44 2HG1 ILE 44 5.692 -0.137 -7.321 298 1HG2 ILE 44 1HG2 ILE 44 6.836 -3.738 -6.329 299 2HG2 ILE 44 2HG2 ILE 44 6.013 -3.317 -7.849 300 3HG2 ILE 44 3HG2 ILE 44 7.411 -2.363 -7.301 301 1HD1 ILE 44 1HD1 ILE 44 3.945 -2.458 -8.237 302 2HD1 ILE 44 2HD1 ILE 44 3.858 -0.837 -8.967 303 3HD1 ILE 44 3HD1 ILE 44 5.368 -1.775 -9.060 304 H PHE 45 H PHE 45 5.322 -5.215 -5.810 305 HA PHE 45 HA PHE 45 6.732 -5.454 -3.367 306 2HB PHE 45 2HB PHE 45 4.193 -7.138 -3.726 307 HD1 PHE 45 1HD PHE 45 4.613 -9.091 -2.559 308 HD2 PHE 45 2HD PHE 45 5.907 -5.406 -0.901 309 HE1 PHE 45 1HE PHE 45 5.321 -10.281 -0.466 310 HE2 PHE 45 2HE PHE 45 6.615 -6.595 1.192 311 HZ PHE 45 HZ PHE 45 6.314 -9.019 1.385 312 H ALA 46 H ALA 46 8.388 -6.818 -3.834 313 HA ALA 46 HA ALA 46 9.534 -8.502 -4.705 314 1HB ALA 46 1HB ALA 46 8.466 -10.568 -5.148 315 2HB ALA 46 2HB ALA 46 7.426 -9.784 -3.935 316 3HB ALA 46 3HB ALA 46 6.952 -9.777 -5.651 317 H GLY 47 H GLY 47 8.000 -6.160 -6.315 318 1HA GLY 47 1HA GLY 47 8.702 -5.292 -8.340 319 2HA GLY 47 2HA GLY 47 9.280 -6.868 -8.840 320 H LYS 48 H LYS 48 6.086 -6.652 -7.342 321 HA LYS 48 HA LYS 48 4.926 -7.299 -9.946 322 2HB LYS 48 2HB LYS 48 2.951 -7.831 -8.190 323 2HG LYS 48 2HG LYS 48 4.133 -9.373 -9.857 324 2HD LYS 48 2HD LYS 48 5.867 -9.995 -7.420 325 2HE LYS 48 2HE LYS 48 6.572 -10.948 -10.157 326 1HZ LYS 48 1HZ LYS 48 6.597 -11.966 -7.422 327 2HZ LYS 48 2HZ LYS 48 6.806 -12.986 -8.680 328 3HZ LYS 48 3HZ LYS 48 7.852 -11.753 -8.446 329 H GLN 49 H GLN 49 2.729 -6.369 -10.424 330 HA GLN 49 HA GLN 49 2.886 -3.563 -9.984 331 2HB GLN 49 2HB GLN 49 1.253 -5.422 -11.680 332 2HG GLN 49 2HG GLN 49 0.417 -2.589 -10.912 333 1HE2 GLN 49 1HE2 GLN 49 1.109 -2.064 -13.148 334 2HE2 GLN 49 2HE2 GLN 49 -0.001 -2.340 -14.448 335 H LEU 50 H LEU 50 1.725 -6.113 -8.140 336 HA LEU 50 HA LEU 50 0.058 -6.376 -6.664 337 2HB LEU 50 2HB LEU 50 0.043 -4.297 -5.065 338 HG LEU 50 HG LEU 50 2.779 -5.021 -4.876 339 1HD1 LEU 50 1HD1 LEU 50 0.914 -4.627 -3.123 340 2HD1 LEU 50 2HD1 LEU 50 0.572 -6.362 -3.332 341 3HD1 LEU 50 3HD1 LEU 50 2.180 -5.830 -2.784 342 1HD2 LEU 50 1HD2 LEU 50 2.724 -7.449 -4.934 343 2HD2 LEU 50 2HD2 LEU 50 1.032 -7.423 -5.485 344 3HD2 LEU 50 3HD2 LEU 50 2.319 -6.782 -6.534 345 H GLU 51 H GLU 51 -1.833 -6.576 -7.906 346 HA GLU 51 HA GLU 51 -3.327 -4.078 -8.126 347 2HB GLU 51 2HB GLU 51 -3.916 -6.485 -9.861 348 2HG GLU 51 2HG GLU 51 -5.149 -4.055 -9.621 349 H ASP 52 H ASP 52 -5.671 -4.216 -7.737 350 HA ASP 52 HA ASP 52 -6.319 -5.531 -5.481 351 2HB ASP 52 2HB ASP 52 -7.870 -4.360 -7.768 352 H GLY 53 H GLY 53 -6.023 -6.759 -8.750 353 1HA GLY 53 1HA GLY 53 -7.717 -8.733 -9.193 354 2HA GLY 53 2HA GLY 53 -5.991 -8.946 -9.412 355 H ARG 54 H ARG 54 -4.782 -9.319 -7.115 356 HA ARG 54 HA ARG 54 -6.360 -11.399 -5.829 357 2HB ARG 54 2HB ARG 54 -4.166 -12.466 -5.263 358 2HG ARG 54 2HG ARG 54 -3.506 -12.159 -8.048 359 2HD ARG 54 2HD ARG 54 -4.116 -14.216 -6.200 360 HE ARG 54 HE ARG 54 -6.339 -14.676 -6.830 361 1HH1 ARG 54 2HH2 ARG 54 -4.359 -14.171 -9.695 362 2HH1 ARG 54 1HH2 ARG 54 -5.578 -14.726 -10.792 363 1HH2 ARG 54 2HH1 ARG 54 -7.948 -15.410 -8.278 364 2HH2 ARG 54 1HH1 ARG 54 -7.634 -15.436 -9.980 365 H THR 55 H THR 55 -5.014 -11.864 -3.493 366 HA THR 55 HA THR 55 -5.171 -9.259 -2.140 367 HB THR 55 HB THR 55 -5.571 -10.769 -0.119 368 HG1 THR 55 1HG THR 55 -6.070 -13.042 -0.905 369 1HG2 THR 55 1HG2 THR 55 -7.435 -11.506 -2.425 370 2HG2 THR 55 2HG2 THR 55 -7.835 -11.403 -0.695 371 3HG2 THR 55 3HG2 THR 55 -7.505 -9.919 -1.622 372 H LEU 56 H LEU 56 -3.844 -10.034 0.248 373 HA LEU 56 HA LEU 56 -1.151 -9.654 -0.674 374 2HB LEU 56 2HB LEU 56 -0.687 -8.932 1.434 375 HG LEU 56 HG LEU 56 -3.697 -8.679 1.615 376 1HD1 LEU 56 1HD1 LEU 56 -2.190 -8.126 3.612 377 2HD1 LEU 56 2HD1 LEU 56 -1.629 -6.742 2.644 378 3HD1 LEU 56 3HD1 LEU 56 -3.349 -6.886 3.077 379 1HD2 LEU 56 1HD2 LEU 56 -2.366 -7.890 -0.575 380 2HD2 LEU 56 2HD2 LEU 56 -3.751 -6.999 0.100 381 3HD2 LEU 56 3HD2 LEU 56 -2.091 -6.466 0.457 382 H SER 57 H SER 57 -3.079 -12.186 1.021 383 HA SER 57 HA SER 57 -0.961 -13.858 1.569 384 2HB SER 57 2HB SER 57 -3.116 -14.226 2.600 385 HG SER 57 HG SER 57 -4.925 -14.139 1.473 386 H ASP 58 H ASP 58 -2.650 -13.116 -1.433 387 HA ASP 58 HA ASP 58 -1.935 -15.499 -2.753 388 2HB ASP 58 2HB ASP 58 -2.471 -14.027 -4.833 389 H TYR 59 H TYR 59 -0.464 -12.334 -2.096 390 HA TYR 59 HA TYR 59 1.702 -12.905 -3.990 391 2HB TYR 59 2HB TYR 59 2.186 -10.433 -3.439 392 HD1 TYR 59 1HD TYR 59 0.249 -8.410 -3.900 393 HD2 TYR 59 2HD TYR 59 0.149 -12.487 -5.193 394 HE1 TYR 59 1HE TYR 59 -1.276 -7.768 -5.831 395 HE2 TYR 59 2HE TYR 59 -1.376 -11.831 -7.119 396 HH TYR 59 HH TYR 59 -2.833 -8.716 -7.284 397 H ASN 60 H ASN 60 0.939 -13.665 -0.879 398 HA ASN 60 HA ASN 60 2.167 -14.418 0.758 399 2HB ASN 60 2HB ASN 60 4.854 -13.454 0.033 400 1HD2 ASN 60 1HD2 ASN 60 4.547 -16.327 -1.434 401 2HD2 ASN 60 2HD2 ASN 60 4.808 -17.430 -0.124 402 H ILE 61 H ILE 61 1.408 -11.417 0.063 403 HA ILE 61 HA ILE 61 3.282 -9.911 1.627 404 HB ILE 61 HB ILE 61 0.711 -9.303 0.196 405 2HG1 ILE 61 2HG1 ILE 61 3.015 -9.582 -0.947 406 1HG2 ILE 61 1HG2 ILE 61 2.315 -7.285 1.781 407 2HG2 ILE 61 2HG2 ILE 61 0.793 -7.025 0.896 408 3HG2 ILE 61 3HG2 ILE 61 0.809 -8.037 2.361 409 1HD1 ILE 61 1HD1 ILE 61 0.982 -8.513 -1.978 410 2HD1 ILE 61 2HD1 ILE 61 1.499 -6.954 -1.290 411 3HD1 ILE 61 3HD1 ILE 61 2.508 -7.767 -2.512 412 H GLN 62 H GLN 62 3.352 -10.681 3.735 413 HA GLN 62 HA GLN 62 1.157 -9.892 5.338 414 2HB GLN 62 2HB GLN 62 0.439 -12.183 4.524 415 2HG GLN 62 2HG GLN 62 2.729 -13.138 6.305 416 1HE2 GLN 62 1HE2 GLN 62 0.852 -14.241 7.302 417 2HE2 GLN 62 2HE2 GLN 62 0.288 -15.724 6.605 418 H LYS 63 H LYS 63 1.780 -9.639 7.552 419 HA LYS 63 HA LYS 63 3.150 -9.480 9.284 420 2HB LYS 63 2HB LYS 63 5.420 -11.076 8.485 421 2HG LYS 63 2HG LYS 63 4.856 -12.296 10.475 422 2HD LYS 63 2HD LYS 63 3.553 -9.700 11.248 423 2HE LYS 63 2HE LYS 63 4.280 -11.178 13.037 424 1HZ LYS 63 1HZ LYS 63 6.631 -11.424 11.368 425 2HZ LYS 63 2HZ LYS 63 6.851 -11.494 12.985 426 3HZ LYS 63 3HZ LYS 63 5.858 -12.561 12.249 427 H GLU 64 H GLU 64 4.270 -7.650 9.701 428 HA GLU 64 HA GLU 64 5.079 -5.693 8.788 429 2HB GLU 64 2HB GLU 64 7.632 -5.921 9.153 430 2HG GLU 64 2HG GLU 64 5.408 -6.089 10.989 431 H SER 65 H SER 65 4.169 -6.217 6.491 432 HA SER 65 HA SER 65 6.202 -7.055 4.652 433 2HB SER 65 2HB SER 65 4.480 -7.175 3.041 434 HG SER 65 HG SER 65 2.523 -7.912 4.265 435 H THR 66 H THR 66 6.992 -5.704 2.875 436 HA THR 66 HA THR 66 6.576 -2.823 3.316 437 HB THR 66 HB THR 66 9.214 -4.252 2.691 438 HG1 THR 66 1HG THR 66 9.152 -4.452 4.892 439 1HG2 THR 66 1HG2 THR 66 10.228 -2.072 3.225 440 2HG2 THR 66 2HG2 THR 66 9.045 -1.838 1.915 441 3HG2 THR 66 3HG2 THR 66 8.627 -1.381 3.584 442 H LEU 67 H LEU 67 5.598 -1.940 1.618 443 HA LEU 67 HA LEU 67 5.881 -3.289 -0.947 444 2HB LEU 67 2HB LEU 67 4.015 -1.804 -1.617 445 HG LEU 67 HG LEU 67 2.308 -2.986 -0.656 446 1HD1 LEU 67 1HD1 LEU 67 4.439 -4.843 0.351 447 2HD1 LEU 67 2HD1 LEU 67 2.944 -5.200 -0.546 448 3HD1 LEU 67 3HD1 LEU 67 4.331 -4.465 -1.385 449 1HD2 LEU 67 1HD2 LEU 67 3.385 -2.059 1.764 450 2HD2 LEU 67 2HD2 LEU 67 1.839 -2.905 1.511 451 3HD2 LEU 67 3HD2 LEU 67 3.303 -3.831 1.919 452 H HIS 68 H HIS 68 5.658 -1.376 -2.822 453 HA HIS 68 HA HIS 68 7.681 0.624 -2.187 454 2HB HIS 68 2HB HIS 68 8.667 0.104 -4.510 455 HD1 HIS 68 1HD HIS 68 10.872 0.323 -3.259 456 HD2 HIS 68 2HD HIS 68 8.725 -3.125 -2.211 457 HE1 HIS 68 1HE HIS 68 12.436 -1.082 -1.813 458 H LEU 69 H LEU 69 6.775 2.569 -2.604 459 HA LEU 69 HA LEU 69 4.490 2.709 -4.334 460 2HB LEU 69 2HB LEU 69 5.393 5.282 -3.568 461 HG LEU 69 HG LEU 69 3.300 3.606 -2.161 462 1HD1 LEU 69 1HD1 LEU 69 3.843 6.575 -2.308 463 2HD1 LEU 69 2HD1 LEU 69 2.279 5.900 -1.790 464 3HD1 LEU 69 3HD1 LEU 69 3.757 5.529 -0.871 465 1HD2 LEU 69 1HD2 LEU 69 3.196 5.089 -4.774 466 2HD2 LEU 69 2HD2 LEU 69 2.571 3.475 -4.356 467 3HD2 LEU 69 3HD2 LEU 69 1.741 4.933 -3.759 468 H VAL 70 H VAL 70 4.338 3.751 -6.346 469 HA VAL 70 HA VAL 70 6.901 3.968 -7.705 470 HB VAL 70 HB VAL 70 5.658 3.791 -9.713 471 1HG1 VAL 70 1HG1 VAL 70 5.961 1.670 -8.620 472 2HG1 VAL 70 2HG1 VAL 70 4.541 1.941 -7.582 473 3HG1 VAL 70 3HG1 VAL 70 4.330 1.694 -9.331 474 1HG2 VAL 70 1HG2 VAL 70 3.587 4.574 -10.011 475 2HG2 VAL 70 2HG2 VAL 70 2.944 3.555 -8.702 476 3HG2 VAL 70 3HG2 VAL 70 3.637 5.151 -8.328 477 H LEU 71 H LEU 71 6.479 5.799 -9.675 478 HA LEU 71 HA LEU 71 7.105 8.174 -8.599 479 2HB LEU 71 2HB LEU 71 7.358 7.842 -10.904 480 HG LEU 71 HG LEU 71 5.165 8.063 -12.365 481 1HD1 LEU 71 1HD1 LEU 71 7.017 6.111 -11.946 482 2HD1 LEU 71 2HD1 LEU 71 5.513 5.261 -11.516 483 3HD1 LEU 71 3HD1 LEU 71 5.682 6.013 -13.120 484 1HD2 LEU 71 1HD2 LEU 71 3.642 8.139 -10.424 485 2HD2 LEU 71 2HD2 LEU 71 3.292 6.780 -11.520 486 3HD2 LEU 71 3HD2 LEU 71 4.144 6.490 -9.985 487 H ARG 72 H ARG 72 5.867 10.262 -8.431 488 HA ARG 72 HA ARG 72 3.230 9.664 -7.350 489 2HB ARG 72 2HB ARG 72 4.356 12.216 -6.444 490 2HG ARG 72 2HG ARG 72 4.079 9.903 -4.576 491 2HD ARG 72 2HD ARG 72 2.266 12.067 -4.062 492 HE ARG 72 HE ARG 72 4.458 10.755 -2.734 493 1HH1 ARG 72 2HH2 ARG 72 2.669 13.785 -2.727 494 2HH1 ARG 72 1HH2 ARG 72 2.997 14.123 -1.060 495 1HH2 ARG 72 2HH1 ARG 72 4.891 11.199 -0.535 496 2HH2 ARG 72 1HH1 ARG 72 4.270 12.643 0.195 497 H LEU 73 H LEU 73 2.457 12.456 -7.023 498 HA LEU 73 HA LEU 73 2.097 13.135 -9.848 499 2HB LEU 73 2HB LEU 73 0.158 14.434 -9.037 500 HG LEU 73 HG LEU 73 0.230 11.499 -8.335 501 1HD1 LEU 73 1HD1 LEU 73 -1.505 13.245 -7.114 502 2HD1 LEU 73 2HD1 LEU 73 -2.438 12.696 -8.526 503 3HD1 LEU 73 3HD1 LEU 73 -1.785 11.507 -7.373 504 1HD2 LEU 73 1HD2 LEU 73 -1.285 11.341 -10.304 505 2HD2 LEU 73 2HD2 LEU 73 -1.034 13.080 -10.588 506 3HD2 LEU 73 3HD2 LEU 73 0.341 11.953 -10.692 507 H ARG 74 H ARG 74 1.633 15.722 -9.986 508 HA ARG 74 HA ARG 74 3.972 16.931 -9.964 509 2HB ARG 74 2HB ARG 74 1.835 17.896 -10.858 510 2HG ARG 74 2HG ARG 74 0.560 19.375 -9.150 511 2HD ARG 74 2HD ARG 74 -0.963 17.591 -8.576 512 HE ARG 74 HE ARG 74 0.074 16.270 -10.961 513 1HH1 ARG 74 2HH2 ARG 74 -1.494 19.190 -9.779 514 2HH1 ARG 74 1HH2 ARG 74 -2.209 19.579 -11.308 515 1HH2 ARG 74 2HH1 ARG 74 -0.868 16.783 -12.979 516 2HH2 ARG 74 1HH1 ARG 74 -1.850 18.201 -13.140 517 H GLY 75 H GLY 75 5.023 18.600 -8.553 518 1HA GLY 75 1HA GLY 75 4.499 19.506 -6.137 519 2HA GLY 75 2HA GLY 75 4.820 17.829 -5.741 520 H GLY 76 H GLY 76 6.898 17.375 -5.170 521 1HA GLY 76 1HA GLY 76 9.148 17.996 -6.657 522 2HA GLY 76 2HA GLY 76 8.968 19.293 -5.493 Start of MODEL 7 1 1H MET 1 1H MET 1 -3.227 -5.949 10.929 2 HA MET 1 HA MET 1 -0.847 -7.418 11.072 3 2HB MET 1 2HB MET 1 -0.476 -7.179 8.456 4 2HG MET 1 2HG MET 1 -2.488 -9.282 9.374 5 1HE MET 1 1HE MET 1 -1.438 -11.701 8.728 6 2HE MET 1 2HE MET 1 -0.820 -12.044 7.094 7 3HE MET 1 3HE MET 1 0.276 -11.414 8.347 8 H GLN 2 H GLN 2 1.053 -6.092 10.398 9 HA GLN 2 HA GLN 2 0.316 -3.308 9.971 10 2HB GLN 2 2HB GLN 2 2.556 -3.040 11.519 11 2HG GLN 2 2HG GLN 2 -0.397 -3.119 12.173 12 1HE2 GLN 2 1HE2 GLN 2 2.677 -2.069 13.647 13 2HE2 GLN 2 2HE2 GLN 2 2.278 -2.461 15.287 14 H ILE 3 H ILE 3 0.991 -3.101 7.845 15 HA ILE 3 HA ILE 3 3.658 -4.127 7.210 16 HB ILE 3 HB ILE 3 2.939 -3.823 4.862 17 2HG1 ILE 3 2HG1 ILE 3 1.235 -2.043 5.359 18 1HG2 ILE 3 1HG2 ILE 3 2.539 -5.908 6.480 19 2HG2 ILE 3 2HG2 ILE 3 0.844 -5.555 6.070 20 3HG2 ILE 3 3HG2 ILE 3 2.020 -5.895 4.778 21 1HD1 ILE 3 1HD1 ILE 3 0.190 -4.476 3.839 22 2HD1 ILE 3 2HD1 ILE 3 -0.338 -2.790 3.626 23 3HD1 ILE 3 3HD1 ILE 3 1.314 -3.269 3.171 24 H PHE 4 H PHE 4 4.292 -2.461 5.049 25 HA PHE 4 HA PHE 4 4.085 0.259 6.001 26 2HB PHE 4 2HB PHE 4 6.537 0.484 6.193 27 HD1 PHE 4 1HD PHE 4 5.140 0.519 8.438 28 HD2 PHE 4 2HD PHE 4 7.215 -2.871 6.949 29 HE1 PHE 4 1HE PHE 4 5.205 -0.458 10.749 30 HE2 PHE 4 2HE PHE 4 7.281 -3.846 9.260 31 HZ PHE 4 HZ PHE 4 6.275 -2.628 11.133 32 H VAL 5 H VAL 5 4.711 1.831 4.380 33 HA VAL 5 HA VAL 5 5.011 0.616 1.720 34 HB VAL 5 HB VAL 5 2.800 1.613 2.145 35 1HG1 VAL 5 1HG1 VAL 5 3.723 4.401 2.050 36 2HG1 VAL 5 2HG1 VAL 5 2.464 3.641 3.052 37 3HG1 VAL 5 3HG1 VAL 5 4.171 3.553 3.550 38 1HG2 VAL 5 1HG2 VAL 5 4.197 1.726 -0.104 39 2HG2 VAL 5 2HG2 VAL 5 2.616 2.530 0.045 40 3HG2 VAL 5 3HG2 VAL 5 4.115 3.478 0.202 41 H LYS 6 H LYS 6 6.391 1.727 0.207 42 HA LYS 6 HA LYS 6 8.351 3.414 1.590 43 2HB LYS 6 2HB LYS 6 9.000 2.165 -1.030 44 2HG LYS 6 2HG LYS 6 10.329 3.194 1.382 45 2HD LYS 6 2HD LYS 6 11.394 0.584 0.209 46 2HE LYS 6 2HE LYS 6 12.307 2.518 2.367 47 1HZ LYS 6 1HZ LYS 6 13.772 0.806 3.107 48 2HZ LYS 6 2HZ LYS 6 12.237 0.277 3.280 49 3HZ LYS 6 3HZ LYS 6 13.156 -0.277 2.050 50 H THR 7 H THR 7 9.525 4.287 -0.985 51 HA THR 7 HA THR 7 7.875 5.435 -2.778 52 HB THR 7 HB THR 7 6.498 6.639 -1.308 53 HG1 THR 7 1HG THR 7 7.457 8.831 -1.348 54 1HG2 THR 7 1HG2 THR 7 7.802 7.993 0.629 55 2HG2 THR 7 2HG2 THR 7 7.246 6.323 0.893 56 3HG2 THR 7 3HG2 THR 7 8.945 6.639 0.465 57 H LEU 8 H LEU 8 8.833 7.669 -3.632 58 HA LEU 8 HA LEU 8 11.453 7.115 -4.328 59 2HB LEU 8 2HB LEU 8 11.464 9.368 -5.270 60 HG LEU 8 HG LEU 8 8.758 8.052 -5.638 61 1HD1 LEU 8 1HD1 LEU 8 9.048 10.509 -6.341 62 2HD1 LEU 8 2HD1 LEU 8 10.116 9.875 -7.616 63 3HD1 LEU 8 3HD1 LEU 8 8.414 9.359 -7.541 64 1HD2 LEU 8 1HD2 LEU 8 10.599 6.527 -6.138 65 2HD2 LEU 8 2HD2 LEU 8 9.739 7.007 -7.620 66 3HD2 LEU 8 3HD2 LEU 8 11.316 7.735 -7.232 67 H THR 9 H THR 9 10.153 8.360 -1.379 68 HA THR 9 HA THR 9 12.784 9.457 -0.650 69 HB THR 9 HB THR 9 11.561 10.804 0.961 70 HG1 THR 9 1HG THR 9 9.220 9.302 0.050 71 1HG2 THR 9 1HG2 THR 9 9.905 11.995 -0.386 72 2HG2 THR 9 2HG2 THR 9 11.227 11.518 -1.478 73 3HG2 THR 9 3HG2 THR 9 9.706 10.594 -1.464 74 H GLY 10 H GLY 10 11.292 6.565 -0.660 75 1HA GLY 10 1HA GLY 10 11.375 4.720 0.627 76 2HA GLY 10 2HA GLY 10 12.930 5.333 1.152 77 H LYS 11 H LYS 11 9.409 5.317 1.848 78 HA LYS 11 HA LYS 11 10.061 6.180 4.579 79 2HB LYS 11 2HB LYS 11 7.251 6.400 3.797 80 2HG LYS 11 2HG LYS 11 9.330 8.419 4.768 81 2HD LYS 11 2HD LYS 11 6.566 8.695 3.938 82 2HE LYS 11 2HE LYS 11 6.169 8.042 6.385 83 1HZ LYS 11 1HZ LYS 11 6.866 9.516 8.010 84 2HZ LYS 11 2HZ LYS 11 8.203 9.312 7.095 85 3HZ LYS 11 3HZ LYS 11 7.314 10.673 6.949 86 H THR 12 H THR 12 7.727 5.378 5.868 87 HA THR 12 HA THR 12 6.967 2.737 5.218 88 HB THR 12 HB THR 12 9.350 3.180 7.022 89 HG1 THR 12 1HG THR 12 8.260 1.076 5.285 90 1HG2 THR 12 1HG2 THR 12 6.999 1.576 7.765 91 2HG2 THR 12 2HG2 THR 12 8.421 0.544 7.485 92 3HG2 THR 12 3HG2 THR 12 8.496 1.857 8.685 93 H ILE 13 H ILE 13 4.889 3.507 5.547 94 HA ILE 13 HA ILE 13 4.332 4.548 8.220 95 HB ILE 13 HB ILE 13 2.108 5.098 7.182 96 2HG1 ILE 13 2HG1 ILE 13 3.031 3.460 5.105 97 1HG2 ILE 13 1HG2 ILE 13 2.916 7.107 6.132 98 2HG2 ILE 13 2HG2 ILE 13 3.955 6.722 7.525 99 3HG2 ILE 13 3HG2 ILE 13 4.520 6.378 5.872 100 1HD1 ILE 13 1HD1 ILE 13 0.722 3.515 5.355 101 2HD1 ILE 13 2HD1 ILE 13 0.689 5.272 5.634 102 3HD1 ILE 13 3HD1 ILE 13 0.894 4.636 3.984 103 H THR 14 H THR 14 3.031 3.473 9.688 104 HA THR 14 HA THR 14 2.652 0.661 9.153 105 HB THR 14 HB THR 14 2.210 2.492 11.566 106 HG1 THR 14 1HG THR 14 4.420 1.963 10.843 107 1HG2 THR 14 1HG2 THR 14 0.986 -0.010 11.178 108 2HG2 THR 14 2HG2 THR 14 2.499 -0.415 12.023 109 3HG2 THR 14 3HG2 THR 14 1.349 0.728 12.756 110 H LEU 15 H LEU 15 0.872 -0.309 8.414 111 HA LEU 15 HA LEU 15 -1.608 1.261 8.551 112 2HB LEU 15 2HB LEU 15 -1.686 -0.672 6.453 113 HG LEU 15 HG LEU 15 -1.691 1.445 4.990 114 1HD1 LEU 15 1HD1 LEU 15 -3.965 1.801 6.794 115 2HD1 LEU 15 2HD1 LEU 15 -3.916 1.310 5.084 116 3HD1 LEU 15 3HD1 LEU 15 -3.668 0.099 6.365 117 1HD2 LEU 15 1HD2 LEU 15 -2.350 2.995 7.446 118 2HD2 LEU 15 2HD2 LEU 15 -0.631 2.713 7.083 119 3HD2 LEU 15 3HD2 LEU 15 -1.668 3.531 5.891 120 H GLU 16 H GLU 16 -3.600 -0.312 8.294 121 HA GLU 16 HA GLU 16 -3.009 -2.713 9.833 122 2HB GLU 16 2HB GLU 16 -5.590 -1.963 10.618 123 2HG GLU 16 2HG GLU 16 -2.853 -1.599 11.907 124 H VAL 17 H VAL 17 -3.021 -3.662 7.595 125 HA VAL 17 HA VAL 17 -5.748 -3.887 6.536 126 HB VAL 17 HB VAL 17 -4.719 -4.487 4.442 127 1HG1 VAL 17 1HG1 VAL 17 -4.400 -1.955 5.744 128 2HG1 VAL 17 2HG1 VAL 17 -2.994 -2.232 4.688 129 3HG1 VAL 17 3HG1 VAL 17 -4.639 -2.301 4.014 130 1HG2 VAL 17 1HG2 VAL 17 -2.073 -4.069 4.439 131 2HG2 VAL 17 2HG2 VAL 17 -2.249 -4.668 6.107 132 3HG2 VAL 17 3HG2 VAL 17 -2.789 -5.671 4.738 133 H GLU 18 H GLU 18 -5.977 -6.176 5.336 134 HA GLU 18 HA GLU 18 -5.102 -8.124 7.324 135 2HB GLU 18 2HB GLU 18 -7.262 -9.257 5.933 136 2HG GLU 18 2HG GLU 18 -6.563 -8.875 8.537 137 HA PRO 19 HA PRO 19 -3.216 -10.360 4.119 138 2HB PRO 19 2HB PRO 19 -2.246 -11.845 5.587 139 2HG PRO 19 2HG PRO 19 -3.347 -12.065 7.602 140 2HD PRO 19 2HD PRO 19 -4.440 -10.045 7.693 141 H SER 20 H SER 20 -6.505 -10.793 4.721 142 HA SER 20 HA SER 20 -6.749 -12.318 2.262 143 2HB SER 20 2HB SER 20 -8.873 -13.027 3.016 144 HG SER 20 HG SER 20 -8.369 -12.929 5.626 145 H ASP 21 H ASP 21 -6.308 -9.210 2.946 146 HA ASP 21 HA ASP 21 -8.638 -8.145 1.652 147 2HB ASP 21 2HB ASP 21 -7.340 -5.945 1.964 148 H THR 22 H THR 22 -8.580 -7.164 -0.471 149 HA THR 22 HA THR 22 -6.481 -8.142 -2.178 150 HB THR 22 HB THR 22 -8.944 -8.129 -2.762 151 HG1 THR 22 1HG THR 22 -7.359 -8.088 -4.464 152 1HG2 THR 22 1HG2 THR 22 -9.238 -5.698 -1.751 153 2HG2 THR 22 2HG2 THR 22 -8.584 -5.162 -3.317 154 3HG2 THR 22 3HG2 THR 22 -10.092 -6.108 -3.258 155 H ILE 23 H ILE 23 -4.982 -6.959 -3.380 156 HA ILE 23 HA ILE 23 -3.610 -5.016 -2.164 157 HB ILE 23 HB ILE 23 -4.059 -5.377 -5.127 158 2HG1 ILE 23 2HG1 ILE 23 -1.730 -6.502 -4.811 159 1HG2 ILE 23 1HG2 ILE 23 -2.720 -3.661 -5.543 160 2HG2 ILE 23 2HG2 ILE 23 -2.737 -3.258 -3.809 161 3HG2 ILE 23 3HG2 ILE 23 -1.471 -4.324 -4.464 162 1HD1 ILE 23 1HD1 ILE 23 -1.322 -7.502 -2.680 163 2HD1 ILE 23 2HD1 ILE 23 -1.689 -5.798 -2.322 164 3HD1 ILE 23 3HD1 ILE 23 -2.931 -7.048 -2.070 165 H GLU 24 H GLU 24 -6.597 -4.611 -4.099 166 HA GLU 24 HA GLU 24 -6.507 -1.880 -4.344 167 2HB GLU 24 2HB GLU 24 -9.123 -3.314 -3.860 168 2HG GLU 24 2HG GLU 24 -8.243 -0.850 -5.085 169 H ASN 25 H ASN 25 -8.473 -3.754 -1.914 170 HA ASN 25 HA ASN 25 -9.266 -1.680 -0.410 171 2HB ASN 25 2HB ASN 25 -8.304 -4.168 1.024 172 1HD2 ASN 25 1HD2 ASN 25 -9.221 -1.384 1.578 173 2HD2 ASN 25 2HD2 ASN 25 -10.631 -1.527 2.573 174 H VAL 26 H VAL 26 -6.184 -3.583 -0.187 175 HA VAL 26 HA VAL 26 -5.164 -2.309 2.074 176 HB VAL 26 HB VAL 26 -3.669 -3.540 -0.249 177 1HG1 VAL 26 1HG1 VAL 26 -1.807 -3.679 1.093 178 2HG1 VAL 26 2HG1 VAL 26 -2.515 -2.162 1.700 179 3HG1 VAL 26 3HG1 VAL 26 -2.752 -3.680 2.601 180 1HG2 VAL 26 1HG2 VAL 26 -5.003 -4.810 2.157 181 2HG2 VAL 26 2HG2 VAL 26 -5.276 -5.157 0.432 182 3HG2 VAL 26 3HG2 VAL 26 -3.740 -5.622 1.201 183 H LYS 27 H LYS 27 -4.885 -1.583 -1.453 184 HA LYS 27 HA LYS 27 -3.216 0.689 -0.939 185 2HB LYS 27 2HB LYS 27 -3.445 -0.940 -3.047 186 2HG LYS 27 2HG LYS 27 -5.197 1.478 -3.699 187 2HD LYS 27 2HD LYS 27 -3.742 0.976 -5.600 188 2HE LYS 27 2HE LYS 27 -4.372 -1.859 -4.816 189 1HZ LYS 27 1HZ LYS 27 -4.220 -2.632 -6.940 190 2HZ LYS 27 2HZ LYS 27 -5.141 -1.307 -7.186 191 3HZ LYS 27 3HZ LYS 27 -3.549 -1.272 -7.545 192 H ALA 28 H ALA 28 -6.477 0.033 -0.439 193 HA ALA 28 HA ALA 28 -7.363 2.696 -1.213 194 1HB ALA 28 1HB ALA 28 -8.545 0.085 -0.966 195 2HB ALA 28 2HB ALA 28 -9.388 1.200 0.136 196 3HB ALA 28 3HB ALA 28 -9.273 1.580 -1.599 197 H LYS 29 H LYS 29 -7.106 0.556 1.705 198 HA LYS 29 HA LYS 29 -8.087 2.147 3.621 199 2HB LYS 29 2HB LYS 29 -5.915 1.166 4.915 200 2HG LYS 29 2HG LYS 29 -8.302 -0.453 3.907 201 2HD LYS 29 2HD LYS 29 -6.480 -0.788 6.336 202 2HE LYS 29 2HE LYS 29 -8.075 -3.021 6.240 203 1HZ LYS 29 1HZ LYS 29 -9.461 -1.404 7.828 204 2HZ LYS 29 2HZ LYS 29 -8.074 -2.144 8.268 205 3HZ LYS 29 3HZ LYS 29 -8.045 -0.595 7.752 206 H ILE 30 H ILE 30 -4.686 2.331 2.358 207 HA ILE 30 HA ILE 30 -3.832 4.431 3.877 208 HB ILE 30 HB ILE 30 -2.417 4.937 1.764 209 2HG1 ILE 30 2HG1 ILE 30 -4.129 3.716 0.289 210 1HG2 ILE 30 1HG2 ILE 30 -0.858 3.532 2.606 211 2HG2 ILE 30 2HG2 ILE 30 -2.051 3.374 3.919 212 3HG2 ILE 30 3HG2 ILE 30 -1.965 2.137 2.641 213 1HD1 ILE 30 1HD1 ILE 30 -2.411 3.022 -1.257 214 2HD1 ILE 30 2HD1 ILE 30 -1.749 4.407 -0.358 215 3HD1 ILE 30 3HD1 ILE 30 -1.246 2.753 0.062 216 H GLN 31 H GLN 31 -5.767 4.490 0.834 217 HA GLN 31 HA GLN 31 -5.706 7.202 0.451 218 2HB GLN 31 2HB GLN 31 -7.688 6.875 -0.944 219 2HG GLN 31 2HG GLN 31 -6.931 5.040 -2.352 220 1HE2 GLN 31 1HE2 GLN 31 -4.403 5.617 0.074 221 2HE2 GLN 31 2HE2 GLN 31 -3.355 6.577 -0.917 222 H ASP 32 H ASP 32 -7.134 5.385 3.019 223 HA ASP 32 HA ASP 32 -9.141 7.369 3.546 224 2HB ASP 32 2HB ASP 32 -8.540 5.374 5.657 225 H LYS 33 H LYS 33 -5.805 6.692 4.224 226 HA LYS 33 HA LYS 33 -5.814 8.076 6.773 227 2HB LYS 33 2HB LYS 33 -3.301 7.567 6.577 228 2HG LYS 33 2HG LYS 33 -3.736 5.084 7.045 229 2HD LYS 33 2HD LYS 33 -5.648 6.972 8.490 230 2HE LYS 33 2HE LYS 33 -4.748 4.236 8.915 231 1HZ LYS 33 1HZ LYS 33 -3.573 6.224 10.569 232 2HZ LYS 33 2HZ LYS 33 -4.445 5.142 11.427 233 3HZ LYS 33 3HZ LYS 33 -3.233 4.630 10.459 234 H GLU 34 H GLU 34 -4.333 8.422 3.476 235 HA GLU 34 HA GLU 34 -3.550 11.089 4.134 236 2HB GLU 34 2HB GLU 34 -1.964 10.161 2.725 237 2HG GLU 34 2HG GLU 34 -2.948 8.896 0.544 238 H GLY 35 H GLY 35 -5.967 9.433 2.023 239 1HA GLY 35 1HA GLY 35 -8.123 10.332 1.724 240 2HA GLY 35 2HA GLY 35 -7.488 11.950 1.943 241 H ILE 36 H ILE 36 -5.391 9.958 0.043 242 HA ILE 36 HA ILE 36 -6.265 11.396 -2.340 243 HB ILE 36 HB ILE 36 -4.133 11.460 -2.972 244 2HG1 ILE 36 2HG1 ILE 36 -4.104 9.039 -3.484 245 1HG2 ILE 36 1HG2 ILE 36 -3.177 10.525 -0.310 246 2HG2 ILE 36 2HG2 ILE 36 -2.771 11.992 -1.231 247 3HG2 ILE 36 3HG2 ILE 36 -4.313 11.894 -0.348 248 1HD1 ILE 36 1HD1 ILE 36 -1.803 8.974 -3.738 249 2HD1 ILE 36 2HD1 ILE 36 -1.978 10.694 -3.318 250 3HD1 ILE 36 3HD1 ILE 36 -1.499 9.518 -2.071 251 HA PRO 37 HA PRO 37 -7.834 7.802 -4.139 252 2HB PRO 37 2HB PRO 37 -8.841 8.992 -5.833 253 2HG PRO 37 2HG PRO 37 -7.892 11.051 -6.260 254 2HD PRO 37 2HD PRO 37 -6.912 11.477 -4.224 255 HA PRO 38 HA PRO 38 -4.618 5.091 -4.780 256 2HB PRO 38 2HB PRO 38 -5.669 3.411 -3.607 257 2HG PRO 38 2HG PRO 38 -7.949 3.678 -3.376 258 2HD PRO 38 2HD PRO 38 -8.118 5.960 -3.609 259 H ASP 39 H ASP 39 -6.730 6.137 -7.098 260 HA ASP 39 HA ASP 39 -5.792 4.420 -9.151 261 2HB ASP 39 2HB ASP 39 -6.868 6.648 -10.420 262 H GLN 40 H GLN 40 -4.291 6.785 -7.369 263 HA GLN 40 HA GLN 40 -2.967 8.000 -9.649 264 2HB GLN 40 2HB GLN 40 -1.937 9.274 -7.432 265 2HG GLN 40 2HG GLN 40 -2.847 10.524 -9.280 266 1HE2 GLN 40 1HE2 GLN 40 -5.344 8.691 -7.567 267 2HE2 GLN 40 2HE2 GLN 40 -6.494 8.608 -8.860 268 H GLN 41 H GLN 41 -1.967 6.935 -6.312 269 HA GLN 41 HA GLN 41 0.569 6.164 -7.435 270 2HB GLN 41 2HB GLN 41 0.611 7.453 -5.364 271 2HG GLN 41 2HG GLN 41 -1.668 5.891 -4.690 272 1HE2 GLN 41 1HE2 GLN 41 -0.148 6.624 -1.825 273 2HE2 GLN 41 2HE2 GLN 41 0.260 5.038 -1.262 274 H ARG 42 H ARG 42 1.548 4.001 -6.762 275 HA ARG 42 HA ARG 42 -0.510 2.011 -6.336 276 2HB ARG 42 2HB ARG 42 0.495 0.562 -8.116 277 2HG ARG 42 2HG ARG 42 -0.578 3.305 -8.780 278 2HD ARG 42 2HD ARG 42 -0.055 1.283 -10.976 279 HE ARG 42 HE ARG 42 -1.127 3.964 -10.830 280 1HH1 ARG 42 2HH2 ARG 42 0.834 1.868 -12.866 281 2HH1 ARG 42 1HH2 ARG 42 0.442 2.708 -14.329 282 1HH2 ARG 42 2HH1 ARG 42 -1.645 5.072 -12.760 283 2HH2 ARG 42 1HH1 ARG 42 -0.978 4.542 -14.268 284 H LEU 43 H LEU 43 0.320 0.008 -5.361 285 HA LEU 43 HA LEU 43 2.886 0.459 -4.041 286 2HB LEU 43 2HB LEU 43 2.026 -1.452 -2.583 287 HG LEU 43 HG LEU 43 1.315 1.334 -2.508 288 1HD1 LEU 43 1HD1 LEU 43 -0.707 0.936 -0.934 289 2HD1 LEU 43 2HD1 LEU 43 -0.963 0.950 -2.696 290 3HD1 LEU 43 3HD1 LEU 43 -0.884 -0.598 -1.821 291 1HD2 LEU 43 1HD2 LEU 43 1.292 0.767 0.011 292 2HD2 LEU 43 2HD2 LEU 43 1.805 -0.858 -0.503 293 3HD2 LEU 43 3HD2 LEU 43 2.807 0.559 -0.899 294 H ILE 44 H ILE 44 4.522 -1.174 -4.013 295 HA ILE 44 HA ILE 44 4.137 -3.243 -6.060 296 HB ILE 44 HB ILE 44 6.595 -1.547 -5.608 297 2HG1 ILE 44 2HG1 ILE 44 6.134 -0.443 -7.615 298 1HG2 ILE 44 1HG2 ILE 44 7.558 -3.506 -6.267 299 2HG2 ILE 44 2HG2 ILE 44 6.111 -4.062 -7.140 300 3HG2 ILE 44 3HG2 ILE 44 7.165 -2.824 -7.863 301 1HD1 ILE 44 1HD1 ILE 44 5.442 -2.605 -8.827 302 2HD1 ILE 44 2HD1 ILE 44 3.811 -2.330 -8.171 303 3HD1 ILE 44 3HD1 ILE 44 4.540 -1.136 -9.270 304 H PHE 45 H PHE 45 5.399 -5.211 -5.712 305 HA PHE 45 HA PHE 45 6.853 -5.523 -3.298 306 2HB PHE 45 2HB PHE 45 4.152 -6.958 -3.606 307 HD1 PHE 45 1HD PHE 45 4.470 -9.016 -2.579 308 HD2 PHE 45 2HD PHE 45 6.089 -5.543 -0.754 309 HE1 PHE 45 1HE PHE 45 5.121 -10.374 -0.570 310 HE2 PHE 45 2HE PHE 45 6.740 -6.902 1.254 311 HZ PHE 45 HZ PHE 45 6.248 -9.300 1.322 312 H ALA 46 H ALA 46 8.397 -7.005 -3.792 313 HA ALA 46 HA ALA 46 9.243 -8.968 -4.486 314 1HB ALA 46 1HB ALA 46 7.916 -10.711 -5.327 315 2HB ALA 46 2HB ALA 46 6.766 -9.787 -4.330 316 3HB ALA 46 3HB ALA 46 6.766 -9.593 -6.100 317 H GLY 47 H GLY 47 7.290 -6.991 -6.769 318 1HA GLY 47 1HA GLY 47 9.068 -5.861 -8.302 319 2HA GLY 47 2HA GLY 47 9.250 -7.500 -8.894 320 H LYS 48 H LYS 48 6.160 -7.739 -8.035 321 HA LYS 48 HA LYS 48 5.228 -7.191 -10.689 322 2HB LYS 48 2HB LYS 48 4.568 -9.229 -9.516 323 2HG LYS 48 2HG LYS 48 2.654 -7.809 -7.731 324 2HD LYS 48 2HD LYS 48 4.559 -10.180 -7.458 325 2HE LYS 48 2HE LYS 48 2.342 -9.645 -5.495 326 1HZ LYS 48 1HZ LYS 48 4.090 -11.555 -5.699 327 2HZ LYS 48 2HZ LYS 48 5.011 -10.529 -4.826 328 3HZ LYS 48 3HZ LYS 48 3.571 -11.032 -4.242 329 H GLN 49 H GLN 49 3.131 -5.958 -11.036 330 HA GLN 49 HA GLN 49 3.474 -3.410 -9.804 331 2HB GLN 49 2HB GLN 49 2.636 -4.263 -12.299 332 2HG GLN 49 2HG GLN 49 0.205 -2.958 -11.031 333 1HE2 GLN 49 1HE2 GLN 49 -1.706 -4.117 -12.327 334 2HE2 GLN 49 2HE2 GLN 49 -1.556 -4.019 -14.050 335 H LEU 50 H LEU 50 2.199 -6.103 -8.565 336 HA LEU 50 HA LEU 50 0.614 -6.622 -7.114 337 2HB LEU 50 2HB LEU 50 -0.095 -4.121 -5.995 338 HG LEU 50 HG LEU 50 0.253 -5.674 -4.360 339 1HD1 LEU 50 1HD1 LEU 50 1.038 -7.541 -5.483 340 2HD1 LEU 50 2HD1 LEU 50 2.486 -6.702 -6.090 341 3HD1 LEU 50 3HD1 LEU 50 2.379 -7.166 -4.375 342 1HD2 LEU 50 1HD2 LEU 50 1.521 -3.704 -3.727 343 2HD2 LEU 50 2HD2 LEU 50 2.321 -5.172 -3.118 344 3HD2 LEU 50 3HD2 LEU 50 2.966 -4.337 -4.550 345 H GLU 51 H GLU 51 -1.087 -7.392 -8.329 346 HA GLU 51 HA GLU 51 -2.918 -5.388 -9.360 347 2HB GLU 51 2HB GLU 51 -2.986 -8.380 -9.910 348 2HG GLU 51 2HG GLU 51 -3.698 -6.398 -11.997 349 H ASP 52 H ASP 52 -5.052 -5.216 -8.635 350 HA ASP 52 HA ASP 52 -5.583 -6.123 -6.088 351 2HB ASP 52 2HB ASP 52 -7.101 -4.803 -8.300 352 H GLY 53 H GLY 53 -5.689 -7.715 -9.156 353 1HA GLY 53 1HA GLY 53 -7.878 -9.366 -9.101 354 2HA GLY 53 2HA GLY 53 -6.314 -9.787 -9.771 355 H ARG 54 H ARG 54 -5.030 -9.372 -6.991 356 HA ARG 54 HA ARG 54 -6.132 -11.765 -5.757 357 2HB ARG 54 2HB ARG 54 -3.642 -12.243 -5.097 358 2HG ARG 54 2HG ARG 54 -3.178 -13.131 -7.523 359 2HD ARG 54 2HD ARG 54 -5.747 -13.910 -6.056 360 HE ARG 54 HE ARG 54 -4.193 -15.853 -7.644 361 1HH1 ARG 54 2HH2 ARG 54 -6.964 -13.687 -7.545 362 2HH1 ARG 54 1HH2 ARG 54 -7.798 -14.488 -8.834 363 1HH2 ARG 54 2HH1 ARG 54 -5.293 -16.911 -9.345 364 2HH2 ARG 54 1HH1 ARG 54 -6.842 -16.335 -9.864 365 H THR 55 H THR 55 -4.625 -11.928 -3.452 366 HA THR 55 HA THR 55 -4.879 -9.246 -2.253 367 HB THR 55 HB THR 55 -5.728 -10.430 -0.227 368 HG1 THR 55 1HG THR 55 -5.274 -12.593 -0.227 369 1HG2 THR 55 1HG2 THR 55 -7.896 -10.864 -1.002 370 2HG2 THR 55 2HG2 THR 55 -7.267 -9.958 -2.400 371 3HG2 THR 55 3HG2 THR 55 -7.312 -11.738 -2.439 372 H LEU 56 H LEU 56 -3.867 -10.005 0.301 373 HA LEU 56 HA LEU 56 -1.078 -9.959 -0.373 374 2HB LEU 56 2HB LEU 56 -0.717 -9.403 1.885 375 HG LEU 56 HG LEU 56 -3.451 -8.232 1.308 376 1HD1 LEU 56 1HD1 LEU 56 -2.554 -7.975 3.629 377 2HD1 LEU 56 2HD1 LEU 56 -1.176 -7.084 2.940 378 3HD1 LEU 56 3HD1 LEU 56 -2.826 -6.442 2.766 379 1HD2 LEU 56 1HD2 LEU 56 -2.522 -6.591 -0.027 380 2HD2 LEU 56 2HD2 LEU 56 -0.877 -6.863 0.595 381 3HD2 LEU 56 3HD2 LEU 56 -1.610 -8.037 -0.523 382 H SER 57 H SER 57 -3.408 -12.198 1.225 383 HA SER 57 HA SER 57 -1.507 -14.049 2.006 384 2HB SER 57 2HB SER 57 -3.871 -13.970 2.815 385 HG SER 57 HG SER 57 -4.725 -15.498 0.579 386 H ASP 58 H ASP 58 -2.632 -13.133 -1.128 387 HA ASP 58 HA ASP 58 -2.130 -15.718 -2.273 388 2HB ASP 58 2HB ASP 58 -2.588 -14.391 -4.450 389 H TYR 59 H TYR 59 -0.700 -12.446 -1.939 390 HA TYR 59 HA TYR 59 1.514 -13.160 -3.695 391 2HB TYR 59 2HB TYR 59 2.062 -10.680 -3.063 392 HD1 TYR 59 1HD TYR 59 0.366 -8.616 -3.825 393 HD2 TYR 59 2HD TYR 59 0.045 -12.736 -4.934 394 HE1 TYR 59 1HE TYR 59 -0.935 -7.962 -5.909 395 HE2 TYR 59 2HE TYR 59 -1.254 -12.067 -7.014 396 HH TYR 59 HH TYR 59 -2.651 -9.117 -7.394 397 H ASN 60 H ASN 60 0.682 -13.738 -0.521 398 HA ASN 60 HA ASN 60 1.841 -14.441 1.180 399 2HB ASN 60 2HB ASN 60 4.117 -15.117 0.980 400 1HD2 ASN 60 1HD2 ASN 60 4.645 -14.185 -2.173 401 2HD2 ASN 60 2HD2 ASN 60 3.992 -15.546 -3.023 402 H ILE 61 H ILE 61 1.215 -11.528 0.505 403 HA ILE 61 HA ILE 61 3.367 -10.020 1.657 404 HB ILE 61 HB ILE 61 0.652 -9.412 0.549 405 2HG1 ILE 61 2HG1 ILE 61 2.807 -9.713 -0.831 406 1HG2 ILE 61 1HG2 ILE 61 1.309 -6.953 1.065 407 2HG2 ILE 61 2HG2 ILE 61 0.542 -7.939 2.334 408 3HG2 ILE 61 3HG2 ILE 61 2.301 -7.668 2.358 409 1HD1 ILE 61 1HD1 ILE 61 0.845 -8.712 -1.844 410 2HD1 ILE 61 2HD1 ILE 61 1.094 -7.193 -0.951 411 3HD1 ILE 61 3HD1 ILE 61 2.231 -7.667 -2.235 412 H GLN 62 H GLN 62 3.637 -11.043 3.726 413 HA GLN 62 HA GLN 62 1.400 -11.132 5.475 414 2HB GLN 62 2HB GLN 62 3.196 -11.807 7.170 415 2HG GLN 62 2HG GLN 62 2.719 -13.222 4.537 416 1HE2 GLN 62 1HE2 GLN 62 5.046 -13.358 4.142 417 2HE2 GLN 62 2HE2 GLN 62 5.969 -14.615 4.897 418 H LYS 63 H LYS 63 2.299 -10.264 7.943 419 HA LYS 63 HA LYS 63 2.041 -7.444 7.641 420 2HB LYS 63 2HB LYS 63 0.886 -8.324 9.463 421 2HG LYS 63 2HG LYS 63 3.298 -10.068 9.732 422 2HD LYS 63 2HD LYS 63 1.594 -9.381 12.166 423 2HE LYS 63 2HE LYS 63 3.800 -11.325 11.539 424 1HZ LYS 63 1HZ LYS 63 4.534 -11.285 13.764 425 2HZ LYS 63 2HZ LYS 63 4.677 -9.757 13.206 426 3HZ LYS 63 3HZ LYS 63 3.447 -10.149 14.205 427 H GLU 64 H GLU 64 3.552 -5.819 8.437 428 HA GLU 64 HA GLU 64 5.515 -4.923 8.746 429 2HB GLU 64 2HB GLU 64 7.391 -6.149 9.647 430 2HG GLU 64 2HG GLU 64 4.657 -6.703 10.579 431 H SER 65 H SER 65 4.471 -5.562 6.131 432 HA SER 65 HA SER 65 6.814 -6.372 4.648 433 2HB SER 65 2HB SER 65 4.993 -5.917 2.710 434 HG SER 65 HG SER 65 5.320 -8.031 2.707 435 H THR 66 H THR 66 7.450 -5.022 2.684 436 HA THR 66 HA THR 66 6.881 -2.169 3.124 437 HB THR 66 HB THR 66 9.608 -3.327 2.374 438 HG1 THR 66 1HG THR 66 9.965 -2.979 4.726 439 1HG2 THR 66 1HG2 THR 66 8.714 -0.684 3.644 440 2HG2 THR 66 2HG2 THR 66 10.398 -1.155 3.313 441 3HG2 THR 66 3HG2 THR 66 9.271 -0.874 1.964 442 H LEU 67 H LEU 67 5.645 -1.568 1.451 443 HA LEU 67 HA LEU 67 6.146 -2.808 -1.128 444 2HB LEU 67 2HB LEU 67 4.074 -1.709 -1.797 445 HG LEU 67 HG LEU 67 2.521 -2.960 -0.628 446 1HD1 LEU 67 1HD1 LEU 67 4.815 -4.190 -1.345 447 2HD1 LEU 67 2HD1 LEU 67 4.741 -4.642 0.375 448 3HD1 LEU 67 3HD1 LEU 67 3.387 -5.040 -0.708 449 1HD2 LEU 67 1HD2 LEU 67 2.834 -1.805 1.533 450 2HD2 LEU 67 2HD2 LEU 67 2.623 -3.563 1.715 451 3HD2 LEU 67 3HD2 LEU 67 4.243 -2.841 1.863 452 H HIS 68 H HIS 68 6.670 -1.608 -3.030 453 HA HIS 68 HA HIS 68 8.123 0.827 -2.378 454 2HB HIS 68 2HB HIS 68 9.067 0.451 -4.722 455 HD1 HIS 68 1HD HIS 68 11.468 0.211 -4.122 456 HD2 HIS 68 2HD HIS 68 9.060 -2.527 -2.048 457 HE1 HIS 68 1HE HIS 68 13.042 -1.155 -2.650 458 H LEU 69 H LEU 69 7.269 2.790 -2.839 459 HA LEU 69 HA LEU 69 4.807 2.894 -4.308 460 2HB LEU 69 2HB LEU 69 5.789 5.485 -3.754 461 HG LEU 69 HG LEU 69 3.879 3.831 -2.080 462 1HD1 LEU 69 1HD1 LEU 69 2.956 6.202 -1.622 463 2HD1 LEU 69 2HD1 LEU 69 4.423 5.671 -0.766 464 3HD1 LEU 69 3HD1 LEU 69 4.556 6.762 -2.166 465 1HD2 LEU 69 1HD2 LEU 69 2.109 5.042 -3.403 466 2HD2 LEU 69 2HD2 LEU 69 3.395 5.531 -4.534 467 3HD2 LEU 69 3HD2 LEU 69 3.027 3.805 -4.296 468 H VAL 70 H VAL 70 4.820 5.153 -5.795 469 HA VAL 70 HA VAL 70 7.098 4.886 -7.613 470 HB VAL 70 HB VAL 70 5.342 5.120 -9.473 471 1HG1 VAL 70 1HG1 VAL 70 6.622 3.136 -9.381 472 2HG1 VAL 70 2HG1 VAL 70 5.821 2.588 -7.888 473 3HG1 VAL 70 3HG1 VAL 70 4.927 2.593 -9.427 474 1HG2 VAL 70 1HG2 VAL 70 3.187 3.852 -8.799 475 2HG2 VAL 70 2HG2 VAL 70 3.611 4.320 -7.135 476 3HG2 VAL 70 3HG2 VAL 70 3.330 5.573 -8.367 477 H LEU 71 H LEU 71 6.403 6.752 -9.511 478 HA LEU 71 HA LEU 71 6.469 9.166 -7.902 479 2HB LEU 71 2HB LEU 71 8.210 8.959 -9.488 480 HG LEU 71 HG LEU 71 7.575 9.143 -11.999 481 1HD1 LEU 71 1HD1 LEU 71 8.277 6.952 -10.295 482 2HD1 LEU 71 2HD1 LEU 71 7.217 6.359 -11.595 483 3HD1 LEU 71 3HD1 LEU 71 8.711 7.240 -11.998 484 1HD2 LEU 71 1HD2 LEU 71 5.160 7.617 -10.984 485 2HD2 LEU 71 2HD2 LEU 71 5.144 9.267 -11.652 486 3HD2 LEU 71 3HD2 LEU 71 5.607 7.893 -12.684 487 H ARG 72 H ARG 72 5.410 11.025 -9.742 488 HA ARG 72 HA ARG 72 3.558 11.715 -10.726 489 2HB ARG 72 2HB ARG 72 1.993 9.280 -9.769 490 2HG ARG 72 2HG ARG 72 1.289 11.579 -11.241 491 2HD ARG 72 2HD ARG 72 2.287 9.452 -13.030 492 HE ARG 72 HE ARG 72 -0.531 9.637 -12.920 493 1HH1 ARG 72 2HH2 ARG 72 2.006 10.058 -15.322 494 2HH1 ARG 72 1HH2 ARG 72 0.996 9.606 -16.654 495 1HH2 ARG 72 2HH1 ARG 72 -1.864 9.041 -14.677 496 2HH2 ARG 72 1HH1 ARG 72 -1.220 9.024 -16.285 497 H LEU 73 H LEU 73 4.497 12.012 -7.917 498 HA LEU 73 HA LEU 73 2.441 13.532 -6.893 499 2HB LEU 73 2HB LEU 73 2.172 11.798 -4.827 500 HG LEU 73 HG LEU 73 0.463 12.681 -6.980 501 1HD1 LEU 73 1HD1 LEU 73 -0.617 10.110 -5.992 502 2HD1 LEU 73 2HD1 LEU 73 -0.781 10.901 -7.578 503 3HD1 LEU 73 3HD1 LEU 73 0.698 9.994 -7.186 504 1HD2 LEU 73 1HD2 LEU 73 0.155 13.412 -4.719 505 2HD2 LEU 73 2HD2 LEU 73 -1.272 12.463 -5.197 506 3HD2 LEU 73 3HD2 LEU 73 -0.033 11.739 -4.144 507 H ARG 74 H ARG 74 2.938 13.422 -4.140 508 HA ARG 74 HA ARG 74 5.489 14.581 -4.115 509 2HB ARG 74 2HB ARG 74 3.565 15.281 -2.639 510 2HG ARG 74 2HG ARG 74 3.749 13.662 -0.414 511 2HD ARG 74 2HD ARG 74 1.514 12.969 -0.923 512 HE ARG 74 HE ARG 74 1.448 15.338 -2.657 513 1HH1 ARG 74 2HH2 ARG 74 1.741 14.173 0.651 514 2HH1 ARG 74 1HH2 ARG 74 1.219 15.666 1.357 515 1HH2 ARG 74 2HH1 ARG 74 0.760 17.308 -1.725 516 2HH2 ARG 74 1HH1 ARG 74 0.657 17.460 -0.003 517 H GLY 75 H GLY 75 6.447 13.706 -1.496 518 1HA GLY 75 1HA GLY 75 7.088 10.866 -1.987 519 2HA GLY 75 2HA GLY 75 8.350 12.045 -1.696 520 H GLY 76 H GLY 76 5.075 11.416 -0.230 521 1HA GLY 76 1HA GLY 76 5.482 10.234 2.053 522 2HA GLY 76 2HA GLY 76 6.282 11.748 2.425 Start of MODEL 8 1 1H MET 1 1H MET 1 -3.020 -6.619 12.855 2 HA MET 1 HA MET 1 -1.110 -7.773 11.872 3 2HB MET 1 2HB MET 1 -1.148 -8.006 9.367 4 2HG MET 1 2HG MET 1 -3.722 -9.338 9.942 5 1HE MET 1 1HE MET 1 -1.459 -12.129 10.821 6 2HE MET 1 2HE MET 1 -3.182 -11.984 10.393 7 3HE MET 1 3HE MET 1 -2.071 -12.872 9.323 8 H GLN 2 H GLN 2 0.621 -6.513 10.782 9 HA GLN 2 HA GLN 2 -0.144 -3.824 10.070 10 2HB GLN 2 2HB GLN 2 2.213 -3.866 11.860 11 2HG GLN 2 2HG GLN 2 -0.308 -2.222 11.473 12 1HE2 GLN 2 1HE2 GLN 2 2.744 -2.003 13.293 13 2HE2 GLN 2 2HE2 GLN 2 2.073 -1.421 14.781 14 H ILE 3 H ILE 3 1.131 -3.009 8.412 15 HA ILE 3 HA ILE 3 3.622 -4.450 7.862 16 HB ILE 3 HB ILE 3 3.058 -4.316 5.442 17 2HG1 ILE 3 2HG1 ILE 3 1.255 -2.542 5.813 18 1HG2 ILE 3 1HG2 ILE 3 0.955 -5.999 6.744 19 2HG2 ILE 3 2HG2 ILE 3 2.096 -6.395 5.436 20 3HG2 ILE 3 3HG2 ILE 3 2.667 -6.309 7.120 21 1HD1 ILE 3 1HD1 ILE 3 -0.262 -4.297 4.163 22 2HD1 ILE 3 2HD1 ILE 3 0.899 -3.053 3.637 23 3HD1 ILE 3 3HD1 ILE 3 1.447 -4.726 3.905 24 H PHE 4 H PHE 4 4.439 -2.985 5.629 25 HA PHE 4 HA PHE 4 4.309 -0.206 6.519 26 2HB PHE 4 2HB PHE 4 6.792 -0.110 6.332 27 HD1 PHE 4 1HD PHE 4 5.685 0.133 8.730 28 HD2 PHE 4 2HD PHE 4 7.359 -3.453 7.197 29 HE1 PHE 4 1HE PHE 4 5.988 -0.726 11.069 30 HE2 PHE 4 2HE PHE 4 7.661 -4.311 9.536 31 HZ PHE 4 HZ PHE 4 6.972 -2.937 11.444 32 H VAL 5 H VAL 5 4.785 1.355 4.841 33 HA VAL 5 HA VAL 5 4.882 0.172 2.155 34 HB VAL 5 HB VAL 5 2.600 0.903 2.789 35 1HG1 VAL 5 1HG1 VAL 5 4.029 3.241 3.712 36 2HG1 VAL 5 2HG1 VAL 5 2.785 3.704 2.525 37 3HG1 VAL 5 3HG1 VAL 5 2.331 2.775 3.974 38 1HG2 VAL 5 1HG2 VAL 5 3.986 2.448 0.576 39 2HG2 VAL 5 2HG2 VAL 5 3.188 0.862 0.454 40 3HG2 VAL 5 3HG2 VAL 5 2.221 2.323 0.763 41 H LYS 6 H LYS 6 6.019 1.425 0.566 42 HA LYS 6 HA LYS 6 7.827 3.369 1.813 43 2HB LYS 6 2HB LYS 6 8.627 2.369 -0.806 44 2HG LYS 6 2HG LYS 6 9.939 1.990 1.916 45 2HD LYS 6 2HD LYS 6 11.163 2.525 -0.825 46 2HE LYS 6 2HE LYS 6 12.179 2.059 1.940 47 1HZ LYS 6 1HZ LYS 6 13.998 1.089 0.004 48 2HZ LYS 6 2HZ LYS 6 13.579 0.445 1.445 49 3HZ LYS 6 3HZ LYS 6 12.682 0.127 0.117 50 H THR 7 H THR 7 8.744 4.413 -0.760 51 HA THR 7 HA THR 7 6.835 5.293 -2.480 52 HB THR 7 HB THR 7 5.422 6.417 -1.020 53 HG1 THR 7 1HG THR 7 6.144 8.639 -1.064 54 1HG2 THR 7 1HG2 THR 7 6.104 6.108 1.179 55 2HG2 THR 7 2HG2 THR 7 7.821 6.354 0.780 56 3HG2 THR 7 3HG2 THR 7 6.743 7.756 0.975 57 H LEU 8 H LEU 8 7.464 7.529 -3.498 58 HA LEU 8 HA LEU 8 10.119 7.293 -4.274 59 2HB LEU 8 2HB LEU 8 7.833 8.935 -4.856 60 HG LEU 8 HG LEU 8 9.302 10.770 -3.912 61 1HD1 LEU 8 1HD1 LEU 8 11.025 10.788 -6.292 62 2HD1 LEU 8 2HD1 LEU 8 11.405 11.133 -4.587 63 3HD1 LEU 8 3HD1 LEU 8 11.349 9.449 -5.164 64 1HD2 LEU 8 1HD2 LEU 8 9.016 12.236 -5.921 65 2HD2 LEU 8 2HD2 LEU 8 8.537 10.789 -6.841 66 3HD2 LEU 8 3HD2 LEU 8 7.561 11.325 -5.452 67 H THR 9 H THR 9 8.722 8.596 -1.390 68 HA THR 9 HA THR 9 10.873 10.455 -0.889 69 HB THR 9 HB THR 9 9.606 10.834 1.203 70 HG1 THR 9 1HG THR 9 7.931 9.291 1.694 71 1HG2 THR 9 1HG2 THR 9 7.212 11.055 0.251 72 2HG2 THR 9 2HG2 THR 9 8.476 11.938 -0.638 73 3HG2 THR 9 3HG2 THR 9 7.860 10.391 -1.268 74 H GLY 10 H GLY 10 9.784 7.275 0.465 75 1HA GLY 10 1HA GLY 10 11.366 5.574 0.909 76 2HA GLY 10 2HA GLY 10 12.595 6.789 1.202 77 H LYS 11 H LYS 11 9.302 5.849 2.437 78 HA LYS 11 HA LYS 11 10.398 5.982 5.132 79 2HB LYS 11 2HB LYS 11 8.187 7.707 4.056 80 2HG LYS 11 2HG LYS 11 8.543 6.859 6.970 81 2HD LYS 11 2HD LYS 11 6.389 8.201 7.218 82 2HE LYS 11 2HE LYS 11 8.310 10.221 6.191 83 1HZ LYS 11 1HZ LYS 11 6.922 10.991 7.790 84 2HZ LYS 11 2HZ LYS 11 6.878 9.596 8.637 85 3HZ LYS 11 3HZ LYS 11 8.186 10.570 8.736 86 H THR 12 H THR 12 8.929 4.880 6.726 87 HA THR 12 HA THR 12 7.213 2.908 5.370 88 HB THR 12 HB THR 12 9.641 2.565 7.067 89 HG1 THR 12 1HG THR 12 7.914 1.076 5.223 90 1HG2 THR 12 1HG2 THR 12 8.426 0.213 7.656 91 2HG2 THR 12 2HG2 THR 12 8.403 1.585 8.790 92 3HG2 THR 12 3HG2 THR 12 7.000 1.276 7.739 93 H ILE 13 H ILE 13 5.162 3.084 5.990 94 HA ILE 13 HA ILE 13 4.703 4.120 8.700 95 HB ILE 13 HB ILE 13 2.448 4.772 7.717 96 2HG1 ILE 13 2HG1 ILE 13 1.967 4.468 5.563 97 1HG2 ILE 13 1HG2 ILE 13 3.278 6.903 6.970 98 2HG2 ILE 13 2HG2 ILE 13 4.281 6.335 8.326 99 3HG2 ILE 13 3HG2 ILE 13 4.890 6.216 6.657 100 1HD1 ILE 13 1HD1 ILE 13 3.389 5.180 3.728 101 2HD1 ILE 13 2HD1 ILE 13 3.537 6.394 5.023 102 3HD1 ILE 13 3HD1 ILE 13 4.825 5.189 4.778 103 H THR 14 H THR 14 3.266 3.021 10.061 104 HA THR 14 HA THR 14 2.901 0.246 9.384 105 HB THR 14 HB THR 14 3.109 1.930 11.743 106 HG1 THR 14 1HG THR 14 4.065 -0.244 10.928 107 1HG2 THR 14 1HG2 THR 14 0.736 1.781 12.155 108 2HG2 THR 14 2HG2 THR 14 0.659 0.123 11.515 109 3HG2 THR 14 3HG2 THR 14 1.448 0.437 13.078 110 H LEU 15 H LEU 15 1.350 -0.289 7.961 111 HA LEU 15 HA LEU 15 -1.129 1.218 8.008 112 2HB LEU 15 2HB LEU 15 -1.389 -0.747 6.105 113 HG LEU 15 HG LEU 15 -0.286 1.059 4.527 114 1HD1 LEU 15 1HD1 LEU 15 -2.754 0.400 4.923 115 2HD1 LEU 15 2HD1 LEU 15 -2.832 1.883 5.904 116 3HD1 LEU 15 3HD1 LEU 15 -2.393 1.978 4.181 117 1HD2 LEU 15 1HD2 LEU 15 -1.036 2.959 6.707 118 2HD2 LEU 15 2HD2 LEU 15 0.575 2.202 6.755 119 3HD2 LEU 15 3HD2 LEU 15 0.084 3.161 5.338 120 H GLU 16 H GLU 16 -3.224 -0.141 7.814 121 HA GLU 16 HA GLU 16 -2.986 -2.435 9.595 122 2HB GLU 16 2HB GLU 16 -5.528 -1.349 10.089 123 2HG GLU 16 2HG GLU 16 -3.056 -0.705 11.740 124 H VAL 17 H VAL 17 -3.135 -3.944 7.874 125 HA VAL 17 HA VAL 17 -5.783 -4.002 6.617 126 HB VAL 17 HB VAL 17 -4.588 -4.911 4.576 127 1HG1 VAL 17 1HG1 VAL 17 -4.839 -2.132 5.502 128 2HG1 VAL 17 2HG1 VAL 17 -3.656 -2.346 4.189 129 3HG1 VAL 17 3HG1 VAL 17 -5.339 -2.881 3.968 130 1HG2 VAL 17 1HG2 VAL 17 -2.360 -5.066 4.475 131 2HG2 VAL 17 2HG2 VAL 17 -2.148 -3.404 5.077 132 3HG2 VAL 17 3HG2 VAL 17 -2.338 -4.749 6.227 133 H GLU 18 H GLU 18 -5.901 -6.364 5.446 134 HA GLU 18 HA GLU 18 -4.955 -8.211 7.500 135 2HB GLU 18 2HB GLU 18 -7.148 -9.443 6.268 136 2HG GLU 18 2HG GLU 18 -6.528 -8.129 8.865 137 HA PRO 19 HA PRO 19 -3.202 -10.562 4.301 138 2HB PRO 19 2HB PRO 19 -2.227 -12.043 5.771 139 2HG PRO 19 2HG PRO 19 -3.291 -12.216 7.811 140 2HD PRO 19 2HD PRO 19 -4.349 -10.177 7.894 141 H SER 20 H SER 20 -6.483 -11.075 5.041 142 HA SER 20 HA SER 20 -6.786 -12.521 2.542 143 2HB SER 20 2HB SER 20 -9.059 -13.058 3.354 144 HG SER 20 HG SER 20 -7.994 -14.628 4.349 145 H ASP 21 H ASP 21 -6.337 -9.457 3.181 146 HA ASP 21 HA ASP 21 -8.788 -8.386 2.136 147 2HB ASP 21 2HB ASP 21 -7.302 -6.204 2.264 148 H THR 22 H THR 22 -8.903 -7.291 0.049 149 HA THR 22 HA THR 22 -7.025 -8.305 -1.886 150 HB THR 22 HB THR 22 -9.511 -8.223 -2.254 151 HG1 THR 22 1HG THR 22 -8.712 -7.973 -4.301 152 1HG2 THR 22 1HG2 THR 22 -9.520 -5.753 -1.106 153 2HG2 THR 22 2HG2 THR 22 -9.309 -5.272 -2.806 154 3HG2 THR 22 3HG2 THR 22 -10.726 -6.235 -2.324 155 H ILE 23 H ILE 23 -5.829 -7.005 -3.412 156 HA ILE 23 HA ILE 23 -4.253 -5.111 -2.186 157 HB ILE 23 HB ILE 23 -4.820 -5.524 -5.123 158 2HG1 ILE 23 2HG1 ILE 23 -2.611 -6.823 -4.928 159 1HG2 ILE 23 1HG2 ILE 23 -3.145 -3.604 -3.735 160 2HG2 ILE 23 2HG2 ILE 23 -2.187 -4.668 -4.792 161 3HG2 ILE 23 3HG2 ILE 23 -3.546 -3.735 -5.464 162 1HD1 ILE 23 1HD1 ILE 23 -2.379 -5.973 -2.440 163 2HD1 ILE 23 2HD1 ILE 23 -3.526 -7.286 -2.080 164 3HD1 ILE 23 3HD1 ILE 23 -1.954 -7.657 -2.828 165 H GLU 24 H GLU 24 -6.963 -4.578 -4.550 166 HA GLU 24 HA GLU 24 -6.933 -1.920 -4.672 167 2HB GLU 24 2HB GLU 24 -9.333 -3.783 -4.467 168 2HG GLU 24 2HG GLU 24 -9.150 -0.811 -4.908 169 H ASN 25 H ASN 25 -7.975 -3.919 -1.908 170 HA ASN 25 HA ASN 25 -9.164 -1.741 -0.549 171 2HB ASN 25 2HB ASN 25 -8.230 -4.497 0.405 172 1HD2 ASN 25 1HD2 ASN 25 -7.306 -3.226 2.214 173 2HD2 ASN 25 2HD2 ASN 25 -8.335 -2.794 3.538 174 H VAL 26 H VAL 26 -6.206 -3.813 0.002 175 HA VAL 26 HA VAL 26 -5.122 -2.304 2.048 176 HB VAL 26 HB VAL 26 -3.533 -3.788 -0.039 177 1HG1 VAL 26 1HG1 VAL 26 -3.003 -4.048 2.875 178 2HG1 VAL 26 2HG1 VAL 26 -1.873 -3.924 1.505 179 3HG1 VAL 26 3HG1 VAL 26 -2.659 -2.461 2.145 180 1HG2 VAL 26 1HG2 VAL 26 -5.601 -4.816 1.810 181 2HG2 VAL 26 2HG2 VAL 26 -4.944 -5.517 0.312 182 3HG2 VAL 26 3HG2 VAL 26 -4.050 -5.688 1.843 183 H LYS 27 H LYS 27 -4.990 -1.901 -1.509 184 HA LYS 27 HA LYS 27 -3.040 0.191 -1.331 185 2HB LYS 27 2HB LYS 27 -4.426 -1.331 -3.440 186 2HG LYS 27 2HG LYS 27 -3.624 1.591 -3.832 187 2HD LYS 27 2HD LYS 27 -2.813 -0.011 -5.653 188 2HE LYS 27 2HE LYS 27 -5.138 -1.350 -5.322 189 1HZ LYS 27 1HZ LYS 27 -5.683 0.318 -7.665 190 2HZ LYS 27 2HZ LYS 27 -6.682 -0.742 -6.926 191 3HZ LYS 27 3HZ LYS 27 -6.308 0.672 -6.198 192 H ALA 28 H ALA 28 -6.317 -0.062 -0.541 193 HA ALA 28 HA ALA 28 -6.947 2.649 -1.399 194 1HB ALA 28 1HB ALA 28 -9.096 1.661 0.057 195 2HB ALA 28 2HB ALA 28 -8.910 1.571 -1.711 196 3HB ALA 28 3HB ALA 28 -8.414 0.197 -0.692 197 H LYS 29 H LYS 29 -6.544 0.633 1.576 198 HA LYS 29 HA LYS 29 -7.260 2.329 3.515 199 2HB LYS 29 2HB LYS 29 -5.633 1.236 4.939 200 2HG LYS 29 2HG LYS 29 -6.207 -1.080 4.498 201 2HD LYS 29 2HD LYS 29 -8.641 -0.907 3.862 202 2HE LYS 29 2HE LYS 29 -7.670 1.336 5.699 203 1HZ LYS 29 1HZ LYS 29 -10.228 0.222 5.075 204 2HZ LYS 29 2HZ LYS 29 -9.915 0.304 6.676 205 3HZ LYS 29 3HZ LYS 29 -9.855 1.656 5.762 206 H ILE 30 H ILE 30 -3.886 2.278 2.153 207 HA ILE 30 HA ILE 30 -2.931 4.477 3.409 208 HB ILE 30 HB ILE 30 -1.530 4.757 1.289 209 2HG1 ILE 30 2HG1 ILE 30 -2.459 3.865 -0.550 210 1HG2 ILE 30 1HG2 ILE 30 -1.464 1.965 2.419 211 2HG2 ILE 30 2HG2 ILE 30 -0.114 3.021 1.938 212 3HG2 ILE 30 3HG2 ILE 30 -1.046 3.383 3.410 213 1HD1 ILE 30 1HD1 ILE 30 -1.840 1.133 0.630 214 2HD1 ILE 30 2HD1 ILE 30 -1.720 1.660 -1.067 215 3HD1 ILE 30 3HD1 ILE 30 -0.544 2.247 0.134 216 H GLN 31 H GLN 31 -4.677 4.439 0.224 217 HA GLN 31 HA GLN 31 -4.631 7.088 -0.265 218 2HB GLN 31 2HB GLN 31 -6.756 6.713 -1.547 219 2HG GLN 31 2HG GLN 31 -5.883 4.991 -3.036 220 1HE2 GLN 31 1HE2 GLN 31 -3.189 5.618 -0.844 221 2HE2 GLN 31 2HE2 GLN 31 -2.352 6.772 -1.826 222 H ASP 32 H ASP 32 -6.412 5.367 2.242 223 HA ASP 32 HA ASP 32 -8.132 7.623 2.697 224 2HB ASP 32 2HB ASP 32 -8.110 5.562 4.790 225 H LYS 33 H LYS 33 -5.177 6.044 3.901 226 HA LYS 33 HA LYS 33 -5.085 7.154 6.456 227 2HB LYS 33 2HB LYS 33 -2.563 6.747 6.140 228 2HG LYS 33 2HG LYS 33 -3.344 4.128 5.601 229 2HD LYS 33 2HD LYS 33 -2.825 5.812 7.941 230 2HE LYS 33 2HE LYS 33 -3.926 3.897 9.441 231 1HZ LYS 33 1HZ LYS 33 -4.915 6.390 8.457 232 2HZ LYS 33 2HZ LYS 33 -6.078 5.415 9.058 233 3HZ LYS 33 3HZ LYS 33 -4.809 5.844 9.993 234 H GLU 34 H GLU 34 -4.275 8.444 3.229 235 HA GLU 34 HA GLU 34 -3.448 10.901 4.561 236 2HB GLU 34 2HB GLU 34 -1.652 10.628 3.190 237 2HG GLU 34 2HG GLU 34 -1.858 9.238 1.009 238 H GLY 35 H GLY 35 -4.920 9.955 1.365 239 1HA GLY 35 1HA GLY 35 -7.378 10.653 1.306 240 2HA GLY 35 2HA GLY 35 -6.748 12.253 1.645 241 H ILE 36 H ILE 36 -5.219 9.698 -0.400 242 HA ILE 36 HA ILE 36 -5.695 11.442 -2.715 243 HB ILE 36 HB ILE 36 -3.478 11.858 -2.316 244 2HG1 ILE 36 2HG1 ILE 36 -3.439 11.283 -4.552 245 1HG2 ILE 36 1HG2 ILE 36 -3.260 10.291 -0.414 246 2HG2 ILE 36 2HG2 ILE 36 -3.009 8.959 -1.569 247 3HG2 ILE 36 3HG2 ILE 36 -1.835 10.294 -1.482 248 1HD1 ILE 36 1HD1 ILE 36 -1.466 9.823 -4.937 249 2HD1 ILE 36 2HD1 ILE 36 -1.168 10.964 -3.605 250 3HD1 ILE 36 3HD1 ILE 36 -1.554 9.263 -3.250 251 HA PRO 37 HA PRO 37 -7.277 7.818 -4.459 252 2HB PRO 37 2HB PRO 37 -8.589 9.020 -5.921 253 2HG PRO 37 2HG PRO 37 -7.891 11.189 -6.283 254 2HD PRO 37 2HD PRO 37 -6.708 11.565 -4.348 255 HA PRO 38 HA PRO 38 -3.936 5.492 -5.695 256 2HB PRO 38 2HB PRO 38 -4.681 3.635 -4.556 257 2HG PRO 38 2HG PRO 38 -6.929 3.659 -4.042 258 2HD PRO 38 2HD PRO 38 -7.328 5.922 -4.060 259 H ASP 39 H ASP 39 -6.683 6.007 -7.667 260 HA ASP 39 HA ASP 39 -6.193 4.710 -9.903 261 2HB ASP 39 2HB ASP 39 -6.744 7.711 -9.735 262 H GLN 40 H GLN 40 -4.248 7.331 -8.476 263 HA GLN 40 HA GLN 40 -2.643 7.526 -10.868 264 2HB GLN 40 2HB GLN 40 -1.438 9.320 -9.470 265 2HG GLN 40 2HG GLN 40 -3.135 9.959 -11.132 266 1HE2 GLN 40 1HE2 GLN 40 -4.696 9.700 -7.935 267 2HE2 GLN 40 2HE2 GLN 40 -6.243 9.155 -8.490 268 H GLN 41 H GLN 41 -1.933 7.230 -7.306 269 HA GLN 41 HA GLN 41 0.611 6.251 -7.699 270 2HB GLN 41 2HB GLN 41 0.477 5.565 -5.304 271 2HG GLN 41 2HG GLN 41 -0.375 7.817 -4.405 272 1HE2 GLN 41 1HE2 GLN 41 0.668 8.894 -7.464 273 2HE2 GLN 41 2HE2 GLN 41 2.363 9.057 -7.147 274 H ARG 42 H ARG 42 1.189 3.929 -6.553 275 HA ARG 42 HA ARG 42 -0.702 1.926 -7.247 276 2HB ARG 42 2HB ARG 42 0.169 2.078 -9.462 277 2HG ARG 42 2HG ARG 42 2.640 2.904 -8.042 278 2HD ARG 42 2HD ARG 42 2.756 0.633 -9.852 279 HE ARG 42 HE ARG 42 3.625 3.191 -11.028 280 1HH1 ARG 42 2HH2 ARG 42 4.013 -0.307 -11.021 281 2HH1 ARG 42 1HH2 ARG 42 4.695 -0.362 -12.612 282 1HH2 ARG 42 2HH1 ARG 42 4.524 3.118 -13.128 283 2HH2 ARG 42 1HH1 ARG 42 4.987 1.599 -13.819 284 H LEU 43 H LEU 43 -0.086 -0.183 -6.343 285 HA LEU 43 HA LEU 43 1.950 0.108 -4.281 286 2HB LEU 43 2HB LEU 43 0.784 -2.266 -3.774 287 HG LEU 43 HG LEU 43 -0.966 -1.033 -2.404 288 1HD1 LEU 43 1HD1 LEU 43 1.849 -1.294 -2.067 289 2HD1 LEU 43 2HD1 LEU 43 1.350 0.265 -1.368 290 3HD1 LEU 43 3HD1 LEU 43 0.574 -1.242 -0.825 291 1HD2 LEU 43 1HD2 LEU 43 0.183 1.230 -3.934 292 2HD2 LEU 43 2HD2 LEU 43 -1.444 1.006 -3.246 293 3HD2 LEU 43 3HD2 LEU 43 -0.095 1.506 -2.198 294 H ILE 44 H ILE 44 3.698 -1.355 -4.040 295 HA ILE 44 HA ILE 44 4.061 -3.259 -6.220 296 HB ILE 44 HB ILE 44 6.189 -1.266 -5.445 297 2HG1 ILE 44 2HG1 ILE 44 5.669 0.080 -7.256 298 1HG2 ILE 44 1HG2 ILE 44 6.019 -3.241 -7.738 299 2HG2 ILE 44 2HG2 ILE 44 7.350 -2.103 -7.417 300 3HG2 ILE 44 3HG2 ILE 44 7.012 -3.423 -6.273 301 1HD1 ILE 44 1HD1 ILE 44 5.459 -1.745 -8.943 302 2HD1 ILE 44 2HD1 ILE 44 3.849 -2.143 -8.296 303 3HD1 ILE 44 3HD1 ILE 44 4.129 -0.569 -9.080 304 H PHE 45 H PHE 45 4.952 -5.172 -5.540 305 HA PHE 45 HA PHE 45 6.352 -5.186 -2.998 306 2HB PHE 45 2HB PHE 45 3.927 -6.936 -3.729 307 HD1 PHE 45 1HD PHE 45 3.993 -9.000 -2.727 308 HD2 PHE 45 2HD PHE 45 5.766 -5.718 -0.705 309 HE1 PHE 45 1HE PHE 45 4.577 -10.501 -0.802 310 HE2 PHE 45 2HE PHE 45 6.349 -7.219 1.221 311 HZ PHE 45 HZ PHE 45 5.748 -9.592 1.149 312 H ALA 46 H ALA 46 8.222 -6.272 -3.368 313 HA ALA 46 HA ALA 46 9.512 -8.031 -3.905 314 1HB ALA 46 1HB ALA 46 7.242 -9.337 -3.914 315 2HB ALA 46 2HB ALA 46 7.375 -9.213 -5.684 316 3HB ALA 46 3HB ALA 46 8.648 -10.037 -4.751 317 H GLY 47 H GLY 47 7.341 -6.818 -6.540 318 1HA GLY 47 1HA GLY 47 8.854 -5.268 -7.980 319 2HA GLY 47 2HA GLY 47 9.635 -6.787 -8.371 320 H LYS 48 H LYS 48 6.137 -5.980 -7.811 321 HA LYS 48 HA LYS 48 5.608 -6.486 -10.619 322 2HB LYS 48 2HB LYS 48 5.530 -8.715 -9.517 323 2HG LYS 48 2HG LYS 48 2.936 -8.225 -8.224 324 2HD LYS 48 2HD LYS 48 4.753 -9.215 -6.340 325 2HE LYS 48 2HE LYS 48 2.865 -10.470 -8.343 326 1HZ LYS 48 1HZ LYS 48 3.392 -12.506 -6.871 327 2HZ LYS 48 2HZ LYS 48 4.297 -12.209 -8.198 328 3HZ LYS 48 3HZ LYS 48 4.862 -11.813 -6.717 329 H GLN 49 H GLN 49 3.260 -5.943 -11.139 330 HA GLN 49 HA GLN 49 2.684 -3.503 -9.793 331 2HB GLN 49 2HB GLN 49 1.460 -4.967 -12.156 332 2HG GLN 49 2HG GLN 49 0.602 -2.270 -11.006 333 1HE2 GLN 49 1HE2 GLN 49 0.963 -1.333 -13.042 334 2HE2 GLN 49 2HE2 GLN 49 -0.074 -1.638 -14.396 335 H LEU 50 H LEU 50 2.015 -4.021 -7.662 336 HA LEU 50 HA LEU 50 0.233 -6.054 -7.031 337 2HB LEU 50 2HB LEU 50 -0.160 -4.514 -4.978 338 HG LEU 50 HG LEU 50 2.736 -4.879 -5.013 339 1HD1 LEU 50 1HD1 LEU 50 1.651 -4.715 -2.930 340 2HD1 LEU 50 2HD1 LEU 50 0.423 -5.925 -3.377 341 3HD1 LEU 50 3HD1 LEU 50 2.107 -6.428 -3.095 342 1HD2 LEU 50 1HD2 LEU 50 2.760 -7.306 -5.261 343 2HD2 LEU 50 2HD2 LEU 50 1.032 -7.294 -5.685 344 3HD2 LEU 50 3HD2 LEU 50 2.218 -6.516 -6.761 345 H GLU 51 H GLU 51 -1.695 -6.293 -8.068 346 HA GLU 51 HA GLU 51 -3.384 -3.914 -8.089 347 2HB GLU 51 2HB GLU 51 -3.442 -6.165 -10.145 348 2HG GLU 51 2HG GLU 51 -5.572 -5.051 -10.099 349 H ASP 52 H ASP 52 -5.832 -4.578 -8.263 350 HA ASP 52 HA ASP 52 -6.644 -5.738 -6.053 351 2HB ASP 52 2HB ASP 52 -8.161 -4.693 -7.697 352 H GLY 53 H GLY 53 -5.450 -7.362 -8.996 353 1HA GLY 53 1HA GLY 53 -5.896 -9.695 -9.477 354 2HA GLY 53 2HA GLY 53 -4.401 -9.535 -8.578 355 H ARG 54 H ARG 54 -4.431 -9.879 -6.200 356 HA ARG 54 HA ARG 54 -6.790 -11.338 -5.348 357 2HB ARG 54 2HB ARG 54 -5.489 -13.166 -4.471 358 2HG ARG 54 2HG ARG 54 -3.959 -13.803 -6.457 359 2HD ARG 54 2HD ARG 54 -5.976 -13.809 -8.097 360 HE ARG 54 HE ARG 54 -5.602 -15.292 -5.679 361 1HH1 ARG 54 2HH2 ARG 54 -8.126 -14.550 -8.015 362 2HH1 ARG 54 1HH2 ARG 54 -8.996 -16.021 -7.735 363 1HH2 ARG 54 2HH1 ARG 54 -6.748 -17.233 -5.309 364 2HH2 ARG 54 1HH1 ARG 54 -8.207 -17.557 -6.184 365 H THR 55 H THR 55 -5.241 -12.101 -2.816 366 HA THR 55 HA THR 55 -5.458 -9.474 -1.532 367 HB THR 55 HB THR 55 -5.985 -10.738 0.456 368 HG1 THR 55 1HG THR 55 -5.205 -13.077 -1.124 369 1HG2 THR 55 1HG2 THR 55 -7.737 -10.949 -1.461 370 2HG2 THR 55 2HG2 THR 55 -7.050 -12.566 -1.743 371 3HG2 THR 55 3HG2 THR 55 -7.805 -12.181 -0.179 372 H LEU 56 H LEU 56 -3.965 -9.822 0.742 373 HA LEU 56 HA LEU 56 -1.363 -9.369 -0.309 374 2HB LEU 56 2HB LEU 56 -0.779 -8.735 1.872 375 HG LEU 56 HG LEU 56 -3.750 -8.151 1.807 376 1HD1 LEU 56 1HD1 LEU 56 -1.974 -7.640 3.804 377 2HD1 LEU 56 2HD1 LEU 56 -1.844 -6.150 2.839 378 3HD1 LEU 56 3HD1 LEU 56 -3.427 -6.670 3.464 379 1HD2 LEU 56 1HD2 LEU 56 -1.794 -7.432 -0.123 380 2HD2 LEU 56 2HD2 LEU 56 -3.484 -6.890 0.004 381 3HD2 LEU 56 3HD2 LEU 56 -2.193 -5.970 0.811 382 H SER 57 H SER 57 -2.973 -11.992 1.571 383 HA SER 57 HA SER 57 -0.671 -13.464 1.998 384 2HB SER 57 2HB SER 57 -2.604 -14.007 3.285 385 HG SER 57 HG SER 57 -4.606 -14.331 2.463 386 H ASP 58 H ASP 58 -3.137 -13.530 -0.651 387 HA ASP 58 HA ASP 58 -2.152 -15.723 -1.970 388 2HB ASP 58 2HB ASP 58 -3.150 -14.430 -4.047 389 H TYR 59 H TYR 59 -0.959 -12.427 -1.645 390 HA TYR 59 HA TYR 59 0.800 -12.699 -3.958 391 2HB TYR 59 2HB TYR 59 1.344 -10.270 -2.932 392 HD1 TYR 59 1HD TYR 59 0.458 -8.368 -4.118 393 HD2 TYR 59 2HD TYR 59 -1.597 -12.119 -4.207 394 HE1 TYR 59 1HE TYR 59 -1.005 -7.530 -6.020 395 HE2 TYR 59 2HE TYR 59 -3.053 -11.268 -6.109 396 HH TYR 59 HH TYR 59 -2.375 -9.003 -8.020 397 H ASN 60 H ASN 60 0.782 -13.665 -0.749 398 HA ASN 60 HA ASN 60 2.385 -14.521 0.467 399 2HB ASN 60 2HB ASN 60 4.640 -13.293 -1.138 400 1HD2 ASN 60 1HD2 ASN 60 4.230 -16.574 -1.547 401 2HD2 ASN 60 2HD2 ASN 60 5.238 -17.182 -0.277 402 H ILE 61 H ILE 61 1.360 -11.582 0.334 403 HA ILE 61 HA ILE 61 3.538 -10.045 1.394 404 HB ILE 61 HB ILE 61 0.628 -9.553 0.851 405 2HG1 ILE 61 2HG1 ILE 61 2.516 -9.518 -0.922 406 1HG2 ILE 61 1HG2 ILE 61 2.527 -7.810 2.426 407 2HG2 ILE 61 2HG2 ILE 61 1.103 -7.164 1.576 408 3HG2 ILE 61 3HG2 ILE 61 0.896 -8.367 2.872 409 1HD1 ILE 61 1HD1 ILE 61 1.331 -6.874 -1.173 410 2HD1 ILE 61 2HD1 ILE 61 0.977 -8.351 -2.101 411 3HD1 ILE 61 3HD1 ILE 61 0.118 -8.032 -0.575 412 H GLN 62 H GLN 62 4.255 -11.169 3.251 413 HA GLN 62 HA GLN 62 2.346 -11.848 5.249 414 2HB GLN 62 2HB GLN 62 4.473 -13.143 4.775 415 2HG GLN 62 2HG GLN 62 5.825 -10.945 6.394 416 1HE2 GLN 62 1HE2 GLN 62 6.386 -13.253 3.737 417 2HE2 GLN 62 2HE2 GLN 62 7.758 -14.054 4.427 418 H LYS 63 H LYS 63 2.923 -11.113 7.649 419 HA LYS 63 HA LYS 63 2.366 -8.416 7.827 420 2HB LYS 63 2HB LYS 63 3.070 -8.751 10.260 421 2HG LYS 63 2HG LYS 63 1.270 -11.029 9.682 422 2HD LYS 63 2HD LYS 63 -0.320 -9.335 10.896 423 2HE LYS 63 2HE LYS 63 1.092 -9.673 13.101 424 1HZ LYS 63 1HZ LYS 63 0.420 -11.926 13.128 425 2HZ LYS 63 2HZ LYS 63 -0.720 -11.101 12.300 426 3HZ LYS 63 3HZ LYS 63 0.364 -12.023 11.499 427 H GLU 64 H GLU 64 3.751 -6.720 8.966 428 HA GLU 64 HA GLU 64 5.434 -5.350 8.761 429 2HB GLU 64 2HB GLU 64 7.703 -6.294 9.363 430 2HG GLU 64 2HG GLU 64 6.851 -7.424 11.547 431 H SER 65 H SER 65 4.420 -6.076 6.257 432 HA SER 65 HA SER 65 6.659 -6.794 4.614 433 2HB SER 65 2HB SER 65 4.602 -6.039 2.898 434 HG SER 65 HG SER 65 4.550 -8.168 2.478 435 H THR 66 H THR 66 7.094 -5.379 2.582 436 HA THR 66 HA THR 66 6.702 -2.531 3.185 437 HB THR 66 HB THR 66 9.347 -3.789 2.295 438 HG1 THR 66 1HG THR 66 9.800 -3.260 4.648 439 1HG2 THR 66 1HG2 THR 66 10.268 -1.626 3.140 440 2HG2 THR 66 2HG2 THR 66 9.104 -1.341 1.823 441 3HG2 THR 66 3HG2 THR 66 8.618 -1.073 3.513 442 H LEU 67 H LEU 67 5.458 -1.774 1.593 443 HA LEU 67 HA LEU 67 5.809 -2.941 -1.058 444 2HB LEU 67 2HB LEU 67 3.690 -1.900 -1.585 445 HG LEU 67 HG LEU 67 2.188 -3.126 -0.283 446 1HD1 LEU 67 1HD1 LEU 67 2.998 -5.176 -0.658 447 2HD1 LEU 67 2HD1 LEU 67 4.460 -4.338 -1.231 448 3HD1 LEU 67 3HD1 LEU 67 4.376 -4.940 0.442 449 1HD2 LEU 67 1HD2 LEU 67 2.828 -2.045 1.877 450 2HD2 LEU 67 2HD2 LEU 67 2.469 -3.784 2.000 451 3HD2 LEU 67 3HD2 LEU 67 4.158 -3.221 2.013 452 H HIS 68 H HIS 68 6.240 -1.646 -2.916 453 HA HIS 68 HA HIS 68 7.607 0.830 -2.199 454 2HB HIS 68 2HB HIS 68 8.591 0.524 -4.548 455 HD1 HIS 68 1HD HIS 68 10.864 0.768 -3.495 456 HD2 HIS 68 2HD HIS 68 8.904 -2.737 -2.282 457 HE1 HIS 68 1HE HIS 68 12.554 -0.557 -2.117 458 H LEU 69 H LEU 69 6.651 2.747 -2.652 459 HA LEU 69 HA LEU 69 4.257 2.703 -4.275 460 2HB LEU 69 2HB LEU 69 5.017 5.314 -3.362 461 HG LEU 69 HG LEU 69 2.884 3.454 -2.279 462 1HD1 LEU 69 1HD1 LEU 69 3.643 5.495 -0.907 463 2HD1 LEU 69 2HD1 LEU 69 2.850 6.464 -2.172 464 3HD1 LEU 69 3HD1 LEU 69 1.904 5.289 -1.227 465 1HD2 LEU 69 1HD2 LEU 69 2.601 5.584 -4.414 466 2HD2 LEU 69 2HD2 LEU 69 2.697 3.834 -4.727 467 3HD2 LEU 69 3HD2 LEU 69 1.333 4.498 -3.795 468 H VAL 70 H VAL 70 4.513 5.467 -5.215 469 HA VAL 70 HA VAL 70 6.818 5.385 -6.971 470 HB VAL 70 HB VAL 70 5.470 5.606 -8.981 471 1HG1 VAL 70 1HG1 VAL 70 6.224 3.348 -8.066 472 2HG1 VAL 70 2HG1 VAL 70 4.544 3.118 -7.527 473 3HG1 VAL 70 3HG1 VAL 70 4.903 3.322 -9.259 474 1HG2 VAL 70 1HG2 VAL 70 3.134 5.281 -7.082 475 2HG2 VAL 70 2HG2 VAL 70 3.450 6.601 -8.233 476 3HG2 VAL 70 3HG2 VAL 70 3.003 4.986 -8.833 477 H LEU 71 H LEU 71 6.799 7.489 -8.374 478 HA LEU 71 HA LEU 71 6.922 9.649 -6.759 479 2HB LEU 71 2HB LEU 71 7.927 9.917 -8.789 480 HG LEU 71 HG LEU 71 5.896 8.294 -9.890 481 1HD1 LEU 71 1HD1 LEU 71 4.482 9.898 -10.693 482 2HD1 LEU 71 2HD1 LEU 71 5.772 11.112 -10.872 483 3HD1 LEU 71 3HD1 LEU 71 5.622 9.790 -12.056 484 1HD2 LEU 71 1HD2 LEU 71 7.410 8.545 -11.970 485 2HD2 LEU 71 2HD2 LEU 71 8.432 9.548 -10.914 486 3HD2 LEU 71 3HD2 LEU 71 8.100 7.853 -10.483 487 H ARG 72 H ARG 72 5.491 10.759 -5.549 488 HA ARG 72 HA ARG 72 2.807 10.172 -5.612 489 2HB ARG 72 2HB ARG 72 3.639 12.878 -4.601 490 2HG ARG 72 2HG ARG 72 2.165 10.468 -3.442 491 2HD ARG 72 2HD ARG 72 2.034 13.088 -2.039 492 HE ARG 72 HE ARG 72 1.698 10.298 -1.402 493 1HH1 ARG 72 2HH2 ARG 72 2.752 13.335 0.030 494 2HH1 ARG 72 1HH2 ARG 72 2.342 12.864 1.645 495 1HH2 ARG 72 2HH1 ARG 72 1.157 9.676 0.730 496 2HH2 ARG 72 1HH1 ARG 72 1.429 10.769 2.046 497 H LEU 73 H LEU 73 0.987 11.196 -6.565 498 HA LEU 73 HA LEU 73 1.468 12.606 -8.952 499 2HB LEU 73 2HB LEU 73 -0.409 11.209 -8.855 500 HG LEU 73 HG LEU 73 -1.181 10.891 -6.709 501 1HD1 LEU 73 1HD1 LEU 73 -1.697 12.688 -5.099 502 2HD1 LEU 73 2HD1 LEU 73 -0.002 12.720 -5.644 503 3HD1 LEU 73 3HD1 LEU 73 -1.170 13.894 -6.299 504 1HD2 LEU 73 1HD2 LEU 73 -2.985 12.462 -8.404 505 2HD2 LEU 73 2HD2 LEU 73 -3.260 10.938 -7.527 506 3HD2 LEU 73 3HD2 LEU 73 -3.414 12.494 -6.677 507 H ARG 74 H ARG 74 -0.379 14.681 -9.062 508 HA ARG 74 HA ARG 74 1.014 16.806 -8.344 509 2HB ARG 74 2HB ARG 74 -1.063 18.114 -8.503 510 2HG ARG 74 2HG ARG 74 -0.297 16.121 -10.388 511 2HD ARG 74 2HD ARG 74 -2.992 16.260 -11.225 512 HE ARG 74 HE ARG 74 -2.355 13.700 -10.145 513 1HH1 ARG 74 2HH2 ARG 74 -1.041 16.029 -12.431 514 2HH1 ARG 74 1HH2 ARG 74 -0.232 14.830 -13.384 515 1HH2 ARG 74 2HH1 ARG 74 -1.288 12.117 -11.401 516 2HH2 ARG 74 1HH1 ARG 74 -0.374 12.590 -12.794 517 H GLY 75 H GLY 75 1.840 17.494 -6.395 518 1HA GLY 75 1HA GLY 75 0.332 16.827 -3.949 519 2HA GLY 75 2HA GLY 75 2.057 17.113 -4.058 520 H GLY 76 H GLY 76 2.876 19.194 -3.818 521 1HA GLY 76 1HA GLY 76 2.869 21.354 -3.192 522 2HA GLY 76 2HA GLY 76 1.654 21.573 -4.435 Start of MODEL 9 1 1H MET 1 1H MET 1 -3.443 -7.883 11.040 2 HA MET 1 HA MET 1 -0.711 -8.080 11.891 3 2HB MET 1 2HB MET 1 -0.446 -8.176 9.260 4 2HG MET 1 2HG MET 1 -1.772 -10.176 11.076 5 1HE MET 1 1HE MET 1 -1.128 -11.326 6.687 6 2HE MET 1 2HE MET 1 -0.222 -10.076 7.573 7 3HE MET 1 3HE MET 1 -0.051 -11.789 8.027 8 H GLN 2 H GLN 2 1.008 -6.719 10.740 9 HA GLN 2 HA GLN 2 -0.021 -4.096 10.049 10 2HB GLN 2 2HB GLN 2 2.454 -3.929 11.627 11 2HG GLN 2 2HG GLN 2 -0.307 -2.658 11.645 12 1HE2 GLN 2 1HE2 GLN 2 2.937 -2.174 13.044 13 2HE2 GLN 2 2HE2 GLN 2 2.423 -1.687 14.626 14 H ILE 3 H ILE 3 1.115 -3.096 8.372 15 HA ILE 3 HA ILE 3 3.641 -4.350 7.591 16 HB ILE 3 HB ILE 3 2.920 -4.245 5.232 17 2HG1 ILE 3 2HG1 ILE 3 1.099 -2.538 5.646 18 1HG2 ILE 3 1HG2 ILE 3 2.650 -6.253 6.947 19 2HG2 ILE 3 2HG2 ILE 3 0.927 -6.014 6.570 20 3HG2 ILE 3 3HG2 ILE 3 2.084 -6.363 5.263 21 1HD1 ILE 3 1HD1 ILE 3 -0.534 -3.745 4.026 22 2HD1 ILE 3 2HD1 ILE 3 1.138 -3.497 3.465 23 3HD1 ILE 3 3HD1 ILE 3 0.629 -5.093 4.067 24 H PHE 4 H PHE 4 4.432 -2.830 5.524 25 HA PHE 4 HA PHE 4 4.018 -0.061 6.376 26 2HB PHE 4 2HB PHE 4 6.487 0.238 6.226 27 HD1 PHE 4 1HD PHE 4 7.367 -3.018 7.099 28 HD2 PHE 4 2HD PHE 4 5.278 0.355 8.606 29 HE1 PHE 4 1HE PHE 4 7.706 -3.853 9.441 30 HE2 PHE 4 2HE PHE 4 5.618 -0.481 10.947 31 HZ PHE 4 HZ PHE 4 6.827 -2.575 11.338 32 H VAL 5 H VAL 5 4.849 1.529 4.688 33 HA VAL 5 HA VAL 5 4.824 0.341 2.012 34 HB VAL 5 HB VAL 5 3.185 2.710 2.935 35 1HG1 VAL 5 1HG1 VAL 5 3.465 1.437 0.191 36 2HG1 VAL 5 2HG1 VAL 5 2.269 2.682 0.628 37 3HG1 VAL 5 3HG1 VAL 5 4.008 3.063 0.674 38 1HG2 VAL 5 1HG2 VAL 5 1.268 1.396 2.784 39 2HG2 VAL 5 2HG2 VAL 5 2.067 0.161 1.781 40 3HG2 VAL 5 3HG2 VAL 5 2.446 0.281 3.516 41 H LYS 6 H LYS 6 6.248 1.297 0.566 42 HA LYS 6 HA LYS 6 7.969 3.335 1.762 43 2HB LYS 6 2HB LYS 6 8.761 2.041 -0.780 44 2HG LYS 6 2HG LYS 6 9.975 2.880 1.857 45 2HD LYS 6 2HD LYS 6 11.435 1.118 -0.156 46 2HE LYS 6 2HE LYS 6 12.117 1.694 2.754 47 1HZ LYS 6 1HZ LYS 6 13.221 0.187 0.677 48 2HZ LYS 6 2HZ LYS 6 14.277 1.361 1.092 49 3HZ LYS 6 3HZ LYS 6 13.730 0.318 2.224 50 H THR 7 H THR 7 9.049 4.253 -0.778 51 HA THR 7 HA THR 7 7.286 5.075 -2.666 52 HB THR 7 HB THR 7 5.767 6.252 -1.358 53 HG1 THR 7 1HG THR 7 6.445 8.447 -1.547 54 1HG2 THR 7 1HG2 THR 7 8.009 6.230 0.617 55 2HG2 THR 7 2HG2 THR 7 6.996 7.693 0.653 56 3HG2 THR 7 3HG2 THR 7 6.257 6.092 0.898 57 H LEU 8 H LEU 8 7.992 7.325 -3.667 58 HA LEU 8 HA LEU 8 10.671 7.042 -4.301 59 2HB LEU 8 2HB LEU 8 10.427 9.203 -5.409 60 HG LEU 8 HG LEU 8 7.904 7.547 -5.695 61 1HD1 LEU 8 1HD1 LEU 8 8.227 10.064 -6.639 62 2HD1 LEU 8 2HD1 LEU 8 8.919 9.122 -7.982 63 3HD1 LEU 8 3HD1 LEU 8 7.252 8.810 -7.442 64 1HD2 LEU 8 1HD2 LEU 8 10.455 7.438 -7.326 65 2HD2 LEU 8 2HD2 LEU 8 10.001 6.275 -6.057 66 3HD2 LEU 8 3HD2 LEU 8 9.005 6.424 -7.523 67 H THR 9 H THR 9 9.174 8.346 -1.470 68 HA THR 9 HA THR 9 11.512 9.982 -0.838 69 HB THR 9 HB THR 9 10.018 10.654 1.107 70 HG1 THR 9 1HG THR 9 8.060 9.537 1.249 71 1HG2 THR 9 1HG2 THR 9 9.524 11.161 -1.719 72 2HG2 THR 9 2HG2 THR 9 7.971 11.059 -0.855 73 3HG2 THR 9 3HG2 THR 9 9.206 12.230 -0.333 74 H GLY 10 H GLY 10 10.821 6.765 -0.782 75 1HA GLY 10 1HA GLY 10 11.461 5.017 0.495 76 2HA GLY 10 2HA GLY 10 12.916 5.963 0.743 77 H LYS 11 H LYS 11 9.481 5.821 1.938 78 HA LYS 11 HA LYS 11 10.570 6.295 4.625 79 2HB LYS 11 2HB LYS 11 7.827 7.079 4.485 80 2HG LYS 11 2HG LYS 11 10.468 8.577 4.802 81 2HD LYS 11 2HD LYS 11 8.408 9.976 4.030 82 2HE LYS 11 2HE LYS 11 7.210 8.568 6.187 83 1HZ LYS 11 1HZ LYS 11 7.177 9.952 7.886 84 2HZ LYS 11 2HZ LYS 11 8.374 10.813 7.183 85 3HZ LYS 11 3HZ LYS 11 6.817 11.248 6.960 86 H THR 12 H THR 12 8.274 5.724 6.106 87 HA THR 12 HA THR 12 7.270 3.157 5.222 88 HB THR 12 HB THR 12 9.206 3.521 7.559 89 HG1 THR 12 1HG THR 12 10.156 2.919 5.546 90 1HG2 THR 12 1HG2 THR 12 8.210 1.779 8.647 91 2HG2 THR 12 2HG2 THR 12 6.903 1.773 7.437 92 3HG2 THR 12 3HG2 THR 12 8.363 0.787 7.176 93 H ILE 13 H ILE 13 5.162 3.120 5.650 94 HA ILE 13 HA ILE 13 4.281 4.668 7.987 95 HB ILE 13 HB ILE 13 2.102 4.821 6.616 96 2HG1 ILE 13 2HG1 ILE 13 2.099 4.457 4.364 97 1HG2 ILE 13 1HG2 ILE 13 2.827 6.918 5.624 98 2HG2 ILE 13 2HG2 ILE 13 3.538 6.717 7.243 99 3HG2 ILE 13 3HG2 ILE 13 4.532 6.435 5.795 100 1HD1 ILE 13 1HD1 ILE 13 3.984 5.981 3.839 101 2HD1 ILE 13 2HD1 ILE 13 5.140 4.738 4.375 102 3HD1 ILE 13 3HD1 ILE 13 4.132 4.454 2.936 103 H THR 14 H THR 14 3.230 3.542 9.547 104 HA THR 14 HA THR 14 2.881 0.712 9.144 105 HB THR 14 HB THR 14 2.861 2.709 11.394 106 HG1 THR 14 1HG THR 14 3.659 -0.096 11.074 107 1HG2 THR 14 1HG2 THR 14 1.318 0.079 11.373 108 2HG2 THR 14 2HG2 THR 14 2.082 0.682 12.863 109 3HG2 THR 14 3HG2 THR 14 0.818 1.644 12.059 110 H LEU 15 H LEU 15 1.006 -0.468 8.992 111 HA LEU 15 HA LEU 15 -1.513 0.923 9.212 112 2HB LEU 15 2HB LEU 15 -1.768 -0.385 6.761 113 HG LEU 15 HG LEU 15 -2.124 2.275 7.762 114 1HD1 LEU 15 1HD1 LEU 15 -1.607 3.531 5.657 115 2HD1 LEU 15 2HD1 LEU 15 -0.180 3.004 6.581 116 3HD1 LEU 15 3HD1 LEU 15 -0.665 2.120 5.114 117 1HD2 LEU 15 1HD2 LEU 15 -3.878 0.867 6.817 118 2HD2 LEU 15 2HD2 LEU 15 -3.763 2.414 5.946 119 3HD2 LEU 15 3HD2 LEU 15 -3.092 0.933 5.221 120 H GLU 16 H GLU 16 -3.361 -0.750 8.755 121 HA GLU 16 HA GLU 16 -2.402 -3.372 9.591 122 2HB GLU 16 2HB GLU 16 -3.293 -2.286 11.582 123 2HG GLU 16 2HG GLU 16 -6.071 -2.029 10.974 124 H VAL 17 H VAL 17 -3.205 -5.058 8.381 125 HA VAL 17 HA VAL 17 -5.759 -4.770 7.076 126 HB VAL 17 HB VAL 17 -4.542 -5.504 4.878 127 1HG1 VAL 17 1HG1 VAL 17 -5.934 -3.462 5.234 128 2HG1 VAL 17 2HG1 VAL 17 -4.469 -2.600 5.763 129 3HG1 VAL 17 3HG1 VAL 17 -4.586 -3.216 4.098 130 1HG2 VAL 17 1HG2 VAL 17 -2.389 -3.621 5.472 131 2HG2 VAL 17 2HG2 VAL 17 -2.304 -5.085 6.481 132 3HG2 VAL 17 3HG2 VAL 17 -2.327 -5.228 4.706 133 H GLU 18 H GLU 18 -6.222 -6.910 5.805 134 HA GLU 18 HA GLU 18 -5.167 -9.033 7.487 135 2HB GLU 18 2HB GLU 18 -7.316 -10.131 6.133 136 2HG GLU 18 2HG GLU 18 -8.192 -8.633 8.500 137 HA PRO 19 HA PRO 19 -3.312 -10.922 4.050 138 2HB PRO 19 2HB PRO 19 -2.245 -12.486 5.361 139 2HG PRO 19 2HG PRO 19 -3.268 -12.903 7.386 140 2HD PRO 19 2HD PRO 19 -4.419 -10.935 7.675 141 H SER 20 H SER 20 -6.565 -11.418 4.683 142 HA SER 20 HA SER 20 -6.852 -12.799 2.142 143 2HB SER 20 2HB SER 20 -8.251 -14.032 3.449 144 HG SER 20 HG SER 20 -7.748 -13.291 5.480 145 H ASP 21 H ASP 21 -6.437 -9.738 3.026 146 HA ASP 21 HA ASP 21 -8.812 -8.624 1.860 147 2HB ASP 21 2HB ASP 21 -7.538 -6.430 2.294 148 H THR 22 H THR 22 -8.797 -7.443 -0.172 149 HA THR 22 HA THR 22 -6.764 -8.306 -2.013 150 HB THR 22 HB THR 22 -9.181 -8.233 -2.608 151 HG1 THR 22 1HG THR 22 -8.741 -6.963 -4.574 152 1HG2 THR 22 1HG2 THR 22 -9.121 -5.250 -2.862 153 2HG2 THR 22 2HG2 THR 22 -10.489 -6.323 -2.487 154 3HG2 THR 22 3HG2 THR 22 -9.337 -5.871 -1.208 155 H ILE 23 H ILE 23 -5.766 -6.691 -3.573 156 HA ILE 23 HA ILE 23 -4.143 -4.972 -2.087 157 HB ILE 23 HB ILE 23 -4.670 -5.094 -5.058 158 2HG1 ILE 23 2HG1 ILE 23 -2.587 -6.461 -5.090 159 1HG2 ILE 23 1HG2 ILE 23 -2.940 -3.375 -3.426 160 2HG2 ILE 23 2HG2 ILE 23 -2.083 -4.238 -4.725 161 3HG2 ILE 23 3HG2 ILE 23 -3.478 -3.203 -5.115 162 1HD1 ILE 23 1HD1 ILE 23 -2.935 -7.205 -2.232 163 2HD1 ILE 23 2HD1 ILE 23 -1.446 -7.046 -3.194 164 3HD1 ILE 23 3HD1 ILE 23 -2.215 -5.600 -2.501 165 H GLU 24 H GLU 24 -6.549 -4.056 -4.656 166 HA GLU 24 HA GLU 24 -6.625 -1.466 -4.398 167 2HB GLU 24 2HB GLU 24 -8.906 -3.436 -4.663 168 2HG GLU 24 2HG GLU 24 -9.120 -0.390 -4.796 169 H ASN 25 H ASN 25 -7.904 -3.758 -1.961 170 HA ASN 25 HA ASN 25 -9.169 -1.780 -0.429 171 2HB ASN 25 2HB ASN 25 -8.140 -4.574 0.288 172 1HD2 ASN 25 1HD2 ASN 25 -7.339 -3.440 2.247 173 2HD2 ASN 25 2HD2 ASN 25 -8.433 -3.195 3.568 174 H VAL 26 H VAL 26 -6.129 -3.750 0.045 175 HA VAL 26 HA VAL 26 -5.225 -2.322 2.263 176 HB VAL 26 HB VAL 26 -3.482 -3.725 0.246 177 1HG1 VAL 26 1HG1 VAL 26 -3.054 -4.238 3.095 178 2HG1 VAL 26 2HG1 VAL 26 -1.907 -3.709 1.842 179 3HG1 VAL 26 3HG1 VAL 26 -2.922 -2.512 2.681 180 1HG2 VAL 26 1HG2 VAL 26 -4.286 -5.567 2.247 181 2HG2 VAL 26 2HG2 VAL 26 -5.769 -4.821 1.604 182 3HG2 VAL 26 3HG2 VAL 26 -4.625 -5.622 0.500 183 H LYS 27 H LYS 27 -4.893 -1.808 -1.262 184 HA LYS 27 HA LYS 27 -2.989 0.312 -0.885 185 2HB LYS 27 2HB LYS 27 -4.165 -1.188 -3.138 186 2HG LYS 27 2HG LYS 27 -3.302 1.731 -3.414 187 2HD LYS 27 2HD LYS 27 -2.605 -0.181 -5.186 188 2HE LYS 27 2HE LYS 27 -5.539 0.082 -5.430 189 1HZ LYS 27 1HZ LYS 27 -5.573 1.019 -7.405 190 2HZ LYS 27 2HZ LYS 27 -3.948 1.175 -7.448 191 3HZ LYS 27 3HZ LYS 27 -4.654 -0.184 -8.017 192 H ALA 28 H ALA 28 -6.296 -0.027 -0.343 193 HA ALA 28 HA ALA 28 -6.963 2.650 -1.259 194 1HB ALA 28 1HB ALA 28 -8.423 0.201 -0.353 195 2HB ALA 28 2HB ALA 28 -9.196 1.772 -0.034 196 3HB ALA 28 3HB ALA 28 -8.775 1.309 -1.701 197 H LYS 29 H LYS 29 -6.701 0.703 1.783 198 HA LYS 29 HA LYS 29 -7.535 2.449 3.632 199 2HB LYS 29 2HB LYS 29 -5.115 1.403 4.660 200 2HG LYS 29 2HG LYS 29 -8.009 0.432 4.665 201 2HD LYS 29 2HD LYS 29 -6.113 -0.360 6.838 202 2HE LYS 29 2HE LYS 29 -7.452 -2.568 6.389 203 1HZ LYS 29 1HZ LYS 29 -9.160 -1.773 7.726 204 2HZ LYS 29 2HZ LYS 29 -7.883 -0.837 8.130 205 3HZ LYS 29 3HZ LYS 29 -9.056 -0.244 7.161 206 H ILE 30 H ILE 30 -4.143 2.398 2.321 207 HA ILE 30 HA ILE 30 -3.210 4.600 3.627 208 HB ILE 30 HB ILE 30 -1.702 4.851 1.618 209 2HG1 ILE 30 2HG1 ILE 30 -2.791 4.142 -0.267 210 1HG2 ILE 30 1HG2 ILE 30 -1.648 3.122 3.703 211 2HG2 ILE 30 2HG2 ILE 30 -1.586 1.985 2.334 212 3HG2 ILE 30 3HG2 ILE 30 -0.360 3.265 2.484 213 1HD1 ILE 30 1HD1 ILE 30 -0.635 2.657 0.374 214 2HD1 ILE 30 2HD1 ILE 30 -1.854 1.359 0.371 215 3HD1 ILE 30 3HD1 ILE 30 -1.593 2.338 -1.093 216 H GLN 31 H GLN 31 -4.917 4.511 0.424 217 HA GLN 31 HA GLN 31 -4.841 7.187 -0.061 218 2HB GLN 31 2HB GLN 31 -6.811 6.794 -1.521 219 2HG GLN 31 2HG GLN 31 -5.889 4.935 -2.856 220 1HE2 GLN 31 1HE2 GLN 31 -3.380 5.882 -0.546 221 2HE2 GLN 31 2HE2 GLN 31 -2.502 6.953 -1.587 222 H ASP 32 H ASP 32 -6.672 5.413 2.350 223 HA ASP 32 HA ASP 32 -8.523 7.584 2.699 224 2HB ASP 32 2HB ASP 32 -8.651 5.681 4.854 225 H LYS 33 H LYS 33 -5.534 6.197 4.026 226 HA LYS 33 HA LYS 33 -5.644 7.385 6.572 227 2HB LYS 33 2HB LYS 33 -3.048 7.022 6.309 228 2HG LYS 33 2HG LYS 33 -3.628 4.416 6.420 229 2HD LYS 33 2HD LYS 33 -3.611 6.560 8.305 230 2HE LYS 33 2HE LYS 33 -5.568 4.550 9.346 231 1HZ LYS 33 1HZ LYS 33 -5.273 7.463 9.592 232 2HZ LYS 33 2HZ LYS 33 -6.344 6.555 10.425 233 3HZ LYS 33 3HZ LYS 33 -4.742 6.355 10.669 234 H GLU 34 H GLU 34 -4.052 8.380 3.468 235 HA GLU 34 HA GLU 34 -3.433 10.915 4.676 236 2HB GLU 34 2HB GLU 34 -1.643 10.427 3.332 237 2HG GLU 34 2HG GLU 34 -2.143 9.219 1.003 238 H GLY 35 H GLY 35 -4.884 10.004 1.463 239 1HA GLY 35 1HA GLY 35 -7.316 10.774 1.347 240 2HA GLY 35 2HA GLY 35 -6.649 12.352 1.715 241 H ILE 36 H ILE 36 -5.231 9.729 -0.338 242 HA ILE 36 HA ILE 36 -5.589 11.502 -2.646 243 HB ILE 36 HB ILE 36 -3.380 11.905 -2.215 244 2HG1 ILE 36 2HG1 ILE 36 -3.226 11.323 -4.424 245 1HG2 ILE 36 1HG2 ILE 36 -1.759 10.299 -1.358 246 2HG2 ILE 36 2HG2 ILE 36 -3.174 10.408 -0.285 247 3HG2 ILE 36 3HG2 ILE 36 -2.994 9.017 -1.381 248 1HD1 ILE 36 1HD1 ILE 36 -1.039 10.793 -3.277 249 2HD1 ILE 36 2HD1 ILE 36 -1.563 9.095 -3.165 250 3HD1 ILE 36 3HD1 ILE 36 -1.311 9.846 -4.760 251 HA PRO 37 HA PRO 37 -7.145 7.893 -4.440 252 2HB PRO 37 2HB PRO 37 -8.376 9.104 -5.964 253 2HG PRO 37 2HG PRO 37 -7.624 11.256 -6.315 254 2HD PRO 37 2HD PRO 37 -6.515 11.629 -4.336 255 HA PRO 38 HA PRO 38 -3.797 5.498 -5.518 256 2HB PRO 38 2HB PRO 38 -4.621 3.665 -4.394 257 2HG PRO 38 2HG PRO 38 -6.886 3.732 -3.972 258 2HD PRO 38 2HD PRO 38 -7.246 6.002 -4.026 259 H ASP 39 H ASP 39 -6.578 5.654 -7.608 260 HA ASP 39 HA ASP 39 -5.775 4.425 -9.792 261 2HB ASP 39 2HB ASP 39 -6.675 6.729 -10.958 262 H GLN 40 H GLN 40 -4.346 7.325 -8.327 263 HA GLN 40 HA GLN 40 -2.866 8.023 -10.658 264 2HB GLN 40 2HB GLN 40 -1.658 9.458 -8.709 265 2HG GLN 40 2HG GLN 40 -2.914 10.489 -10.536 266 1HE2 GLN 40 1HE2 GLN 40 -5.066 9.197 -8.020 267 2HE2 GLN 40 2HE2 GLN 40 -6.466 8.971 -9.016 268 H GLN 41 H GLN 41 -1.930 6.926 -7.310 269 HA GLN 41 HA GLN 41 0.443 5.777 -8.556 270 2HB GLN 41 2HB GLN 41 1.178 7.411 -6.998 271 2HG GLN 41 2HG GLN 41 -0.924 6.258 -5.107 272 1HE2 GLN 41 1HE2 GLN 41 -0.774 6.716 -3.014 273 2HE2 GLN 41 2HE2 GLN 41 0.515 7.584 -2.249 274 H ARG 42 H ARG 42 1.016 3.602 -8.089 275 HA ARG 42 HA ARG 42 -1.107 2.158 -6.718 276 2HB ARG 42 2HB ARG 42 -0.274 0.166 -8.113 277 2HG ARG 42 2HG ARG 42 -1.763 2.540 -9.016 278 2HD ARG 42 2HD ARG 42 -0.461 0.740 -11.118 279 HE ARG 42 HE ARG 42 -2.951 1.990 -11.267 280 1HH1 ARG 42 2HH2 ARG 42 0.113 2.320 -12.967 281 2HH1 ARG 42 1HH2 ARG 42 -0.618 2.850 -14.445 282 1HH2 ARG 42 2HH1 ARG 42 -3.915 2.689 -13.218 283 2HH2 ARG 42 1HH1 ARG 42 -2.925 3.061 -14.588 284 H LEU 43 H LEU 43 -0.297 0.012 -5.678 285 HA LEU 43 HA LEU 43 2.162 0.635 -4.251 286 2HB LEU 43 2HB LEU 43 1.267 -1.476 -2.948 287 HG LEU 43 HG LEU 43 -0.429 0.019 -1.708 288 1HD1 LEU 43 1HD1 LEU 43 2.531 0.331 -1.891 289 2HD1 LEU 43 2HD1 LEU 43 1.623 1.524 -0.930 290 3HD1 LEU 43 3HD1 LEU 43 1.510 -0.209 -0.537 291 1HD2 LEU 43 1HD2 LEU 43 -1.027 1.666 -3.245 292 2HD2 LEU 43 2HD2 LEU 43 0.099 2.502 -2.151 293 3HD2 LEU 43 3HD2 LEU 43 0.657 1.950 -3.749 294 H ILE 44 H ILE 44 3.806 -1.054 -3.913 295 HA ILE 44 HA ILE 44 3.774 -3.091 -6.017 296 HB ILE 44 HB ILE 44 6.100 -1.273 -5.376 297 2HG1 ILE 44 2HG1 ILE 44 5.676 -0.060 -7.279 298 1HG2 ILE 44 1HG2 ILE 44 5.828 -3.508 -7.406 299 2HG2 ILE 44 2HG2 ILE 44 7.209 -2.395 -7.259 300 3HG2 ILE 44 3HG2 ILE 44 6.832 -3.524 -5.937 301 1HD1 ILE 44 1HD1 ILE 44 4.019 -2.432 -8.247 302 2HD1 ILE 44 2HD1 ILE 44 4.114 -0.872 -9.098 303 3HD1 ILE 44 3HD1 ILE 44 5.574 -1.871 -8.906 304 H PHE 45 H PHE 45 5.303 -4.905 -5.553 305 HA PHE 45 HA PHE 45 6.429 -5.091 -2.957 306 2HB PHE 45 2HB PHE 45 4.006 -6.847 -3.662 307 HD1 PHE 45 1HD PHE 45 5.592 -5.319 -0.638 308 HD2 PHE 45 2HD PHE 45 4.174 -8.843 -2.531 309 HE1 PHE 45 1HE PHE 45 6.125 -6.643 1.426 310 HE2 PHE 45 2HE PHE 45 4.706 -10.166 -0.466 311 HZ PHE 45 HZ PHE 45 5.676 -9.051 1.488 312 H ALA 46 H ALA 46 8.191 -6.381 -3.203 313 HA ALA 46 HA ALA 46 9.519 -7.999 -3.928 314 1HB ALA 46 1HB ALA 46 7.405 -9.497 -5.403 315 2HB ALA 46 2HB ALA 46 8.613 -10.077 -4.231 316 3HB ALA 46 3HB ALA 46 7.137 -9.263 -3.659 317 H GLY 47 H GLY 47 8.246 -5.640 -5.652 318 1HA GLY 47 1HA GLY 47 8.978 -4.692 -7.582 319 2HA GLY 47 2HA GLY 47 9.940 -6.116 -7.926 320 H LYS 48 H LYS 48 6.433 -6.199 -7.169 321 HA LYS 48 HA LYS 48 5.941 -6.856 -9.988 322 2HB LYS 48 2HB LYS 48 6.025 -8.840 -8.349 323 2HG LYS 48 2HG LYS 48 3.162 -8.231 -7.741 324 2HD LYS 48 2HD LYS 48 4.100 -9.211 -5.472 325 2HE LYS 48 2HE LYS 48 2.938 -10.364 -7.736 326 1HZ LYS 48 1HZ LYS 48 4.825 -11.336 -8.568 327 2HZ LYS 48 2HZ LYS 48 5.488 -11.633 -7.106 328 3HZ LYS 48 3HZ LYS 48 4.233 -12.536 -7.633 329 H GLN 49 H GLN 49 3.650 -6.473 -10.662 330 HA GLN 49 HA GLN 49 2.847 -3.958 -9.611 331 2HB GLN 49 2HB GLN 49 1.895 -5.746 -11.865 332 2HG GLN 49 2HG GLN 49 0.643 -3.092 -11.014 333 1HE2 GLN 49 1HE2 GLN 49 -0.831 -5.865 -12.522 334 2HE2 GLN 49 2HE2 GLN 49 -1.107 -5.183 -14.090 335 H LEU 50 H LEU 50 1.826 -3.947 -7.637 336 HA LEU 50 HA LEU 50 0.233 -6.134 -6.781 337 2HB LEU 50 2HB LEU 50 -0.264 -3.759 -5.271 338 HG LEU 50 HG LEU 50 -0.124 -5.998 -4.264 339 1HD1 LEU 50 1HD1 LEU 50 2.832 -5.839 -4.916 340 2HD1 LEU 50 2HD1 LEU 50 2.050 -7.082 -3.910 341 3HD1 LEU 50 3HD1 LEU 50 1.644 -6.952 -5.638 342 1HD2 LEU 50 1HD2 LEU 50 1.628 -3.768 -3.294 343 2HD2 LEU 50 2HD2 LEU 50 0.096 -4.391 -2.634 344 3HD2 LEU 50 3HD2 LEU 50 1.602 -5.314 -2.413 345 H GLU 51 H GLU 51 -1.703 -6.623 -7.661 346 HA GLU 51 HA GLU 51 -3.416 -4.346 -8.287 347 2HB GLU 51 2HB GLU 51 -3.857 -6.948 -9.706 348 2HG GLU 51 2HG GLU 51 -4.005 -3.980 -10.366 349 H ASP 52 H ASP 52 -5.784 -4.766 -8.038 350 HA ASP 52 HA ASP 52 -6.288 -5.979 -5.603 351 2HB ASP 52 2HB ASP 52 -7.868 -4.737 -7.809 352 H GLY 53 H GLY 53 -6.125 -7.163 -8.911 353 1HA GLY 53 1HA GLY 53 -7.859 -9.213 -9.139 354 2HA GLY 53 2HA GLY 53 -6.202 -9.279 -9.705 355 H ARG 54 H ARG 54 -5.018 -9.037 -6.961 356 HA ARG 54 HA ARG 54 -5.870 -11.618 -5.924 357 2HB ARG 54 2HB ARG 54 -3.492 -12.157 -5.435 358 2HG ARG 54 2HG ARG 54 -2.943 -11.421 -8.180 359 2HD ARG 54 2HD ARG 54 -3.114 -13.776 -6.492 360 HE ARG 54 HE ARG 54 -4.952 -14.720 -7.647 361 1HH1 ARG 54 2HH2 ARG 54 -2.605 -13.415 -9.920 362 2HH1 ARG 54 1HH2 ARG 54 -3.329 -14.172 -11.300 363 1HH2 ARG 54 2HH1 ARG 54 -5.908 -15.718 -9.467 364 2HH2 ARG 54 1HH1 ARG 54 -5.221 -15.490 -11.040 365 H THR 55 H THR 55 -4.680 -11.890 -3.576 366 HA THR 55 HA THR 55 -5.150 -9.341 -2.177 367 HB THR 55 HB THR 55 -6.022 -10.682 -0.360 368 HG1 THR 55 1HG THR 55 -5.087 -12.930 -1.998 369 1HG2 THR 55 1HG2 THR 55 -7.496 -10.648 -2.503 370 2HG2 THR 55 2HG2 THR 55 -6.862 -12.281 -2.822 371 3HG2 THR 55 3HG2 THR 55 -7.810 -11.966 -1.349 372 H LEU 56 H LEU 56 -4.054 -9.948 0.288 373 HA LEU 56 HA LEU 56 -1.304 -9.544 -0.313 374 2HB LEU 56 2HB LEU 56 -1.042 -9.139 1.994 375 HG LEU 56 HG LEU 56 -3.912 -8.315 1.485 376 1HD1 LEU 56 1HD1 LEU 56 -3.800 -7.169 3.383 377 2HD1 LEU 56 2HD1 LEU 56 -2.278 -8.020 3.735 378 3HD1 LEU 56 3HD1 LEU 56 -2.245 -6.435 2.925 379 1HD2 LEU 56 1HD2 LEU 56 -2.098 -6.189 0.937 380 2HD2 LEU 56 2HD2 LEU 56 -1.590 -7.606 -0.011 381 3HD2 LEU 56 3HD2 LEU 56 -3.251 -6.985 -0.159 382 H SER 57 H SER 57 -3.325 -12.246 0.907 383 HA SER 57 HA SER 57 -1.230 -13.868 1.687 384 2HB SER 57 2HB SER 57 -3.469 -14.411 2.377 385 HG SER 57 HG SER 57 -4.655 -15.390 0.183 386 H ASP 58 H ASP 58 -2.767 -13.252 -1.490 387 HA ASP 58 HA ASP 58 -1.606 -15.427 -2.792 388 2HB ASP 58 2HB ASP 58 -1.935 -13.485 -4.757 389 H TYR 59 H TYR 59 -0.572 -12.117 -1.954 390 HA TYR 59 HA TYR 59 1.832 -12.395 -3.597 391 2HB TYR 59 2HB TYR 59 2.018 -9.928 -2.760 392 HD1 TYR 59 1HD TYR 59 0.268 -12.074 -4.855 393 HD2 TYR 59 2HD TYR 59 0.276 -7.992 -3.575 394 HE1 TYR 59 1HE TYR 59 -0.953 -11.398 -6.980 395 HE2 TYR 59 2HE TYR 59 -0.945 -7.330 -5.705 396 HH TYR 59 HH TYR 59 -0.989 -8.829 -8.295 397 H ASN 60 H ASN 60 0.923 -13.551 -0.700 398 HA ASN 60 HA ASN 60 1.921 -14.096 1.145 399 2HB ASN 60 2HB ASN 60 4.601 -13.333 -0.109 400 1HD2 ASN 60 1HD2 ASN 60 4.284 -16.560 0.367 401 2HD2 ASN 60 2HD2 ASN 60 4.931 -16.736 1.963 402 H ILE 61 H ILE 61 1.167 -11.230 0.634 403 HA ILE 61 HA ILE 61 3.217 -9.642 1.863 404 HB ILE 61 HB ILE 61 0.459 -9.158 0.795 405 2HG1 ILE 61 2HG1 ILE 61 2.573 -9.269 -0.640 406 1HG2 ILE 61 1HG2 ILE 61 0.244 -7.749 2.600 407 2HG2 ILE 61 2HG2 ILE 61 1.993 -7.435 2.708 408 3HG2 ILE 61 3HG2 ILE 61 1.031 -6.676 1.417 409 1HD1 ILE 61 1HD1 ILE 61 0.506 -8.226 -1.467 410 2HD1 ILE 61 2HD1 ILE 61 0.881 -6.729 -0.581 411 3HD1 ILE 61 3HD1 ILE 61 1.906 -7.235 -1.945 412 H GLN 62 H GLN 62 3.486 -10.933 3.839 413 HA GLN 62 HA GLN 62 1.225 -10.926 5.610 414 2HB GLN 62 2HB GLN 62 2.813 -12.888 5.391 415 2HG GLN 62 2HG GLN 62 4.683 -11.200 7.103 416 1HE2 GLN 62 1HE2 GLN 62 4.797 -13.611 4.489 417 2HE2 GLN 62 2HE2 GLN 62 5.697 -14.821 5.341 418 H LYS 63 H LYS 63 2.816 -10.674 8.088 419 HA LYS 63 HA LYS 63 2.563 -7.936 8.483 420 2HB LYS 63 2HB LYS 63 3.867 -8.440 10.605 421 2HG LYS 63 2HG LYS 63 1.734 -10.537 10.310 422 2HD LYS 63 2HD LYS 63 1.241 -8.389 12.207 423 2HE LYS 63 2HE LYS 63 1.031 -11.205 12.053 424 1HZ LYS 63 1HZ LYS 63 3.367 -10.738 13.248 425 2HZ LYS 63 2HZ LYS 63 2.366 -10.778 14.539 426 3HZ LYS 63 3HZ LYS 63 2.440 -12.055 13.523 427 H GLU 64 H GLU 64 4.211 -6.296 8.905 428 HA GLU 64 HA GLU 64 5.816 -5.085 8.018 429 2HB GLU 64 2HB GLU 64 8.032 -5.746 8.739 430 2HG GLU 64 2HG GLU 64 5.676 -6.251 10.414 431 H SER 65 H SER 65 4.807 -5.477 5.793 432 HA SER 65 HA SER 65 6.337 -7.278 4.155 433 2HB SER 65 2HB SER 65 4.483 -5.621 2.659 434 HG SER 65 HG SER 65 4.258 -8.381 3.507 435 H THR 66 H THR 66 5.261 -3.807 3.848 436 HA THR 66 HA THR 66 6.509 -1.975 3.403 437 HB THR 66 HB THR 66 8.892 -3.761 2.741 438 HG1 THR 66 1HG THR 66 9.237 -3.329 5.164 439 1HG2 THR 66 1HG2 THR 66 10.170 -1.864 3.646 440 2HG2 THR 66 2HG2 THR 66 9.066 -1.246 2.394 441 3HG2 THR 66 3HG2 THR 66 8.668 -1.033 4.116 442 H LEU 67 H LEU 67 5.038 -1.629 1.708 443 HA LEU 67 HA LEU 67 5.603 -2.856 -0.837 444 2HB LEU 67 2HB LEU 67 3.641 -1.558 -1.579 445 HG LEU 67 HG LEU 67 2.002 -2.815 -0.588 446 1HD1 LEU 67 1HD1 LEU 67 4.165 -4.161 -1.226 447 2HD1 LEU 67 2HD1 LEU 67 4.217 -4.499 0.521 448 3HD1 LEU 67 3HD1 LEU 67 2.789 -4.967 -0.433 449 1HD2 LEU 67 1HD2 LEU 67 1.508 -2.580 1.559 450 2HD2 LEU 67 2HD2 LEU 67 2.930 -3.553 2.008 451 3HD2 LEU 67 3HD2 LEU 67 3.078 -1.787 1.835 452 H HIS 68 H HIS 68 5.743 -1.390 -2.835 453 HA HIS 68 HA HIS 68 7.465 0.886 -2.160 454 2HB HIS 68 2HB HIS 68 8.499 0.374 -4.463 455 HD1 HIS 68 1HD HIS 68 10.822 0.426 -3.553 456 HD2 HIS 68 2HD HIS 68 8.496 -2.567 -1.758 457 HE1 HIS 68 1HE HIS 68 12.378 -0.836 -1.972 458 H LEU 69 H LEU 69 6.586 2.815 -2.691 459 HA LEU 69 HA LEU 69 4.279 2.846 -4.415 460 2HB LEU 69 2HB LEU 69 5.234 5.444 -3.627 461 HG LEU 69 HG LEU 69 2.888 3.865 -2.540 462 1HD1 LEU 69 1HD1 LEU 69 3.853 6.033 -1.392 463 2HD1 LEU 69 2HD1 LEU 69 2.968 6.850 -2.704 464 3HD1 LEU 69 3HD1 LEU 69 2.101 5.785 -1.573 465 1HD2 LEU 69 1HD2 LEU 69 2.407 3.905 -4.800 466 2HD2 LEU 69 2HD2 LEU 69 1.637 5.404 -4.228 467 3HD2 LEU 69 3HD2 LEU 69 3.211 5.473 -5.056 468 H VAL 70 H VAL 70 4.102 3.978 -6.411 469 HA VAL 70 HA VAL 70 6.688 4.231 -7.752 470 HB VAL 70 HB VAL 70 5.515 3.887 -9.774 471 1HG1 VAL 70 1HG1 VAL 70 4.079 1.782 -9.156 472 2HG1 VAL 70 2HG1 VAL 70 5.834 1.783 -8.857 473 3HG1 VAL 70 3HG1 VAL 70 4.702 2.077 -7.514 474 1HG2 VAL 70 1HG2 VAL 70 3.564 5.026 -9.919 475 2HG2 VAL 70 2HG2 VAL 70 2.858 3.482 -9.386 476 3HG2 VAL 70 3HG2 VAL 70 3.164 4.777 -8.203 477 H LEU 71 H LEU 71 5.878 5.932 -9.871 478 HA LEU 71 HA LEU 71 5.546 8.429 -8.369 479 2HB LEU 71 2HB LEU 71 7.673 8.334 -9.397 480 HG LEU 71 HG LEU 71 6.438 6.889 -11.517 481 1HD1 LEU 71 1HD1 LEU 71 6.772 8.058 -13.462 482 2HD1 LEU 71 2HD1 LEU 71 6.251 9.369 -12.377 483 3HD1 LEU 71 3HD1 LEU 71 7.980 9.146 -12.737 484 1HD2 LEU 71 1HD2 LEU 71 9.295 7.818 -11.111 485 2HD2 LEU 71 2HD2 LEU 71 8.562 6.320 -10.486 486 3HD2 LEU 71 3HD2 LEU 71 8.766 6.548 -12.241 487 H ARG 72 H ARG 72 4.929 10.084 -10.606 488 HA ARG 72 HA ARG 72 3.319 10.709 -11.921 489 2HB ARG 72 2HB ARG 72 1.791 9.119 -13.012 490 2HG ARG 72 2HG ARG 72 3.562 7.192 -13.496 491 2HD ARG 72 2HD ARG 72 4.910 9.619 -14.353 492 HE ARG 72 HE ARG 72 4.063 7.280 -15.547 493 1HH1 ARG 72 2HH2 ARG 72 3.545 10.683 -16.279 494 2HH1 ARG 72 1HH2 ARG 72 3.388 10.424 -17.985 495 1HH2 ARG 72 2HH1 ARG 72 3.856 6.937 -17.797 496 2HH2 ARG 72 1HH1 ARG 72 3.566 8.279 -18.853 497 H LEU 73 H LEU 73 1.485 11.908 -11.364 498 HA LEU 73 HA LEU 73 -0.396 10.800 -9.477 499 2HB LEU 73 2HB LEU 73 0.372 13.428 -8.552 500 HG LEU 73 HG LEU 73 0.639 12.343 -6.383 501 1HD1 LEU 73 1HD1 LEU 73 -1.826 11.722 -7.995 502 2HD1 LEU 73 2HD1 LEU 73 -1.705 11.259 -6.280 503 3HD1 LEU 73 3HD1 LEU 73 -1.570 12.970 -6.752 504 1HD2 LEU 73 1HD2 LEU 73 0.366 9.969 -6.053 505 2HD2 LEU 73 2HD2 LEU 73 0.097 9.719 -7.794 506 3HD2 LEU 73 3HD2 LEU 73 1.689 10.255 -7.208 507 H ARG 74 H ARG 74 -1.529 13.472 -8.902 508 HA ARG 74 HA ARG 74 -3.379 13.663 -10.761 509 2HB ARG 74 2HB ARG 74 -3.031 16.355 -10.200 510 2HG ARG 74 2HG ARG 74 -4.787 14.394 -9.442 511 2HD ARG 74 2HD ARG 74 -3.274 13.708 -7.539 512 HE ARG 74 HE ARG 74 -2.291 15.573 -6.509 513 1HH1 ARG 74 2HH2 ARG 74 -5.762 16.084 -6.782 514 2HH1 ARG 74 1HH2 ARG 74 -5.757 17.517 -5.808 515 1HH2 ARG 74 2HH1 ARG 74 -2.284 17.463 -5.224 516 2HH2 ARG 74 1HH1 ARG 74 -3.766 18.306 -4.916 517 H GLY 75 H GLY 75 -3.654 14.484 -12.864 518 1HA GLY 75 1HA GLY 75 -2.817 16.275 -14.399 519 2HA GLY 75 2HA GLY 75 -1.223 15.601 -14.127 520 H GLY 76 H GLY 76 -4.140 15.401 -15.977 521 1HA GLY 76 1HA GLY 76 -3.874 12.674 -16.830 522 2HA GLY 76 2HA GLY 76 -4.927 13.909 -17.492 Start of MODEL 10 1 1H MET 1 1H MET 1 -3.286 -7.163 12.566 2 HA MET 1 HA MET 1 -0.804 -8.176 11.420 3 2HB MET 1 2HB MET 1 -2.027 -7.589 9.206 4 2HG MET 1 2HG MET 1 -3.877 -9.504 9.764 5 1HE MET 1 1HE MET 1 -1.611 -11.477 11.137 6 2HE MET 1 2HE MET 1 -2.249 -12.446 9.788 7 3HE MET 1 3HE MET 1 -0.502 -12.130 9.907 8 H GLN 2 H GLN 2 0.302 -6.678 9.819 9 HA GLN 2 HA GLN 2 -0.347 -3.991 9.717 10 2HB GLN 2 2HB GLN 2 0.479 -4.364 12.208 11 2HG GLN 2 2HG GLN 2 3.149 -3.739 10.926 12 1HE2 GLN 2 1HE2 GLN 2 4.187 -2.805 12.507 13 2HE2 GLN 2 2HE2 GLN 2 4.182 -3.256 14.180 14 H ILE 3 H ILE 3 1.220 -2.773 8.405 15 HA ILE 3 HA ILE 3 3.539 -4.230 7.487 16 HB ILE 3 HB ILE 3 2.833 -3.945 5.094 17 2HG1 ILE 3 2HG1 ILE 3 0.867 -2.388 5.854 18 1HG2 ILE 3 1HG2 ILE 3 2.116 -6.100 5.011 19 2HG2 ILE 3 2HG2 ILE 3 2.671 -6.064 6.702 20 3HG2 ILE 3 3HG2 ILE 3 0.939 -5.885 6.330 21 1HD1 ILE 3 1HD1 ILE 3 -0.418 -3.963 3.859 22 2HD1 ILE 3 2HD1 ILE 3 0.562 -2.498 3.615 23 3HD1 ILE 3 3HD1 ILE 3 1.330 -4.103 3.558 24 H PHE 4 H PHE 4 4.401 -2.687 5.443 25 HA PHE 4 HA PHE 4 4.080 0.076 6.339 26 2HB PHE 4 2HB PHE 4 6.577 0.280 6.258 27 HD1 PHE 4 1HD PHE 4 5.444 0.606 8.591 28 HD2 PHE 4 2HD PHE 4 7.090 -3.067 7.247 29 HE1 PHE 4 1HE PHE 4 5.644 -0.174 10.969 30 HE2 PHE 4 2HE PHE 4 7.290 -3.848 9.625 31 HZ PHE 4 HZ PHE 4 6.565 -2.392 11.457 32 H VAL 5 H VAL 5 4.613 1.677 4.707 33 HA VAL 5 HA VAL 5 4.636 0.509 2.011 34 HB VAL 5 HB VAL 5 2.593 1.789 2.884 35 1HG1 VAL 5 1HG1 VAL 5 3.948 3.633 3.919 36 2HG1 VAL 5 2HG1 VAL 5 4.347 4.190 2.276 37 3HG1 VAL 5 3HG1 VAL 5 2.655 4.192 2.830 38 1HG2 VAL 5 1HG2 VAL 5 2.415 3.056 0.644 39 2HG2 VAL 5 2HG2 VAL 5 4.024 2.381 0.290 40 3HG2 VAL 5 3HG2 VAL 5 2.648 1.292 0.590 41 H LYS 6 H LYS 6 5.943 1.566 0.390 42 HA LYS 6 HA LYS 6 8.029 3.261 1.574 43 2HB LYS 6 2HB LYS 6 8.706 1.567 -0.772 44 2HG LYS 6 2HG LYS 6 9.999 2.749 1.671 45 2HD LYS 6 2HD LYS 6 10.475 -0.007 0.740 46 2HE LYS 6 2HE LYS 6 12.479 2.034 0.098 47 1HZ LYS 6 1HZ LYS 6 13.302 1.431 2.271 48 2HZ LYS 6 2HZ LYS 6 13.276 -0.156 1.888 49 3HZ LYS 6 3HZ LYS 6 14.296 0.855 1.109 50 H THR 7 H THR 7 9.272 3.657 -1.081 51 HA THR 7 HA THR 7 7.635 4.515 -3.066 52 HB THR 7 HB THR 7 6.357 6.086 -1.927 53 HG1 THR 7 1HG THR 7 7.373 8.079 -2.425 54 1HG2 THR 7 1HG2 THR 7 6.846 6.120 0.334 55 2HG2 THR 7 2HG2 THR 7 8.593 5.933 0.050 56 3HG2 THR 7 3HG2 THR 7 7.834 7.535 -0.099 57 H LEU 8 H LEU 8 8.687 6.422 -4.376 58 HA LEU 8 HA LEU 8 11.314 5.634 -4.866 59 2HB LEU 8 2HB LEU 8 11.372 7.542 -6.387 60 HG LEU 8 HG LEU 8 8.658 6.192 -6.439 61 1HD1 LEU 8 1HD1 LEU 8 10.088 7.465 -8.775 62 2HD1 LEU 8 2HD1 LEU 8 8.402 6.903 -8.670 63 3HD1 LEU 8 3HD1 LEU 8 8.917 8.348 -7.767 64 1HD2 LEU 8 1HD2 LEU 8 10.469 4.569 -6.478 65 2HD2 LEU 8 2HD2 LEU 8 9.677 4.662 -8.069 66 3HD2 LEU 8 3HD2 LEU 8 11.254 5.445 -7.813 67 H THR 9 H THR 9 9.979 7.613 -2.379 68 HA THR 9 HA THR 9 12.529 9.005 -1.985 69 HB THR 9 HB THR 9 11.097 10.302 -0.313 70 HG1 THR 9 1HG THR 9 8.713 9.759 -0.795 71 1HG2 THR 9 1HG2 THR 9 9.401 11.163 -2.125 72 2HG2 THR 9 2HG2 THR 9 11.137 11.396 -2.441 73 3HG2 THR 9 3HG2 THR 9 10.259 10.066 -3.233 74 H GLY 10 H GLY 10 10.326 6.589 -0.532 75 1HA GLY 10 1HA GLY 10 11.235 4.818 0.738 76 2HA GLY 10 2HA GLY 10 12.526 5.867 1.289 77 H LYS 11 H LYS 11 9.370 4.616 1.958 78 HA LYS 11 HA LYS 11 9.288 6.252 4.374 79 2HB LYS 11 2HB LYS 11 6.602 5.848 3.479 80 2HG LYS 11 2HG LYS 11 8.458 8.129 4.144 81 2HD LYS 11 2HD LYS 11 6.351 8.339 2.172 82 2HE LYS 11 2HE LYS 11 4.966 8.602 4.357 83 1HZ LYS 11 1HZ LYS 11 5.204 10.939 5.163 84 2HZ LYS 11 2HZ LYS 11 6.390 9.917 5.628 85 3HZ LYS 11 3HZ LYS 11 6.661 10.991 4.428 86 H THR 12 H THR 12 7.221 5.222 5.722 87 HA THR 12 HA THR 12 6.765 2.476 5.408 88 HB THR 12 HB THR 12 9.203 3.321 6.987 89 HG1 THR 12 1HG THR 12 8.208 1.089 5.363 90 1HG2 THR 12 1HG2 THR 12 8.398 2.139 8.815 91 2HG2 THR 12 2HG2 THR 12 7.133 1.335 7.855 92 3HG2 THR 12 3HG2 THR 12 8.806 0.729 7.806 93 H ILE 13 H ILE 13 4.659 3.337 5.763 94 HA ILE 13 HA ILE 13 4.196 4.445 8.412 95 HB ILE 13 HB ILE 13 1.895 4.796 7.527 96 2HG1 ILE 13 2HG1 ILE 13 2.835 3.054 5.450 97 1HG2 ILE 13 1HG2 ILE 13 3.704 6.514 7.474 98 2HG2 ILE 13 2HG2 ILE 13 4.068 6.015 5.804 99 3HG2 ILE 13 3HG2 ILE 13 2.476 6.708 6.200 100 1HD1 ILE 13 1HD1 ILE 13 0.191 4.552 5.723 101 2HD1 ILE 13 2HD1 ILE 13 0.476 3.023 4.857 102 3HD1 ILE 13 3HD1 ILE 13 0.591 3.075 6.632 103 H THR 14 H THR 14 3.026 3.414 10.031 104 HA THR 14 HA THR 14 2.831 0.540 9.718 105 HB THR 14 HB THR 14 2.467 2.482 12.058 106 HG1 THR 14 1HG THR 14 4.650 2.134 12.058 107 1HG2 THR 14 1HG2 THR 14 1.842 -0.394 11.792 108 2HG2 THR 14 2HG2 THR 14 3.097 -0.086 13.016 109 3HG2 THR 14 3HG2 THR 14 1.509 0.705 13.151 110 H LEU 15 H LEU 15 1.141 0.154 8.281 111 HA LEU 15 HA LEU 15 -1.454 1.238 9.070 112 2HB LEU 15 2HB LEU 15 -1.526 -0.340 6.681 113 HG LEU 15 HG LEU 15 -1.837 2.002 5.620 114 1HD1 LEU 15 1HD1 LEU 15 -4.135 1.954 6.084 115 2HD1 LEU 15 2HD1 LEU 15 -3.600 0.265 6.264 116 3HD1 LEU 15 3HD1 LEU 15 -3.887 1.267 7.707 117 1HD2 LEU 15 1HD2 LEU 15 -1.891 3.866 6.876 118 2HD2 LEU 15 2HD2 LEU 15 -2.615 3.035 8.274 119 3HD2 LEU 15 3HD2 LEU 15 -0.863 2.920 7.981 120 H GLU 16 H GLU 16 -3.341 -0.426 8.704 121 HA GLU 16 HA GLU 16 -2.459 -2.994 9.759 122 2HB GLU 16 2HB GLU 16 -4.557 -1.112 10.832 123 2HG GLU 16 2HG GLU 16 -4.591 -4.158 11.042 124 H VAL 17 H VAL 17 -3.000 -4.575 8.324 125 HA VAL 17 HA VAL 17 -5.649 -4.503 7.151 126 HB VAL 17 HB VAL 17 -4.674 -4.968 4.890 127 1HG1 VAL 17 1HG1 VAL 17 -5.649 -2.773 5.554 128 2HG1 VAL 17 2HG1 VAL 17 -4.019 -2.224 6.016 129 3HG1 VAL 17 3HG1 VAL 17 -4.374 -2.632 4.320 130 1HG2 VAL 17 1HG2 VAL 17 -2.234 -4.967 6.332 131 2HG2 VAL 17 2HG2 VAL 17 -2.475 -5.169 4.580 132 3HG2 VAL 17 3HG2 VAL 17 -2.196 -3.548 5.259 133 H GLU 18 H GLU 18 -5.915 -6.661 5.793 134 HA GLU 18 HA GLU 18 -4.687 -8.717 7.449 135 2HB GLU 18 2HB GLU 18 -6.841 -9.834 5.970 136 2HG GLU 18 2HG GLU 18 -6.733 -8.795 8.843 137 HA PRO 19 HA PRO 19 -2.793 -10.443 3.947 138 2HB PRO 19 2HB PRO 19 -1.656 -12.004 5.200 139 2HG PRO 19 2HG PRO 19 -2.651 -12.535 7.211 140 2HD PRO 19 2HD PRO 19 -3.884 -10.628 7.573 141 H SER 20 H SER 20 -5.961 -11.546 4.705 142 HA SER 20 HA SER 20 -6.210 -12.682 2.071 143 2HB SER 20 2HB SER 20 -7.376 -14.044 3.540 144 HG SER 20 HG SER 20 -7.420 -13.193 5.528 145 H ASP 21 H ASP 21 -6.051 -9.624 3.121 146 HA ASP 21 HA ASP 21 -8.505 -8.643 2.027 147 2HB ASP 21 2HB ASP 21 -7.270 -6.380 2.438 148 H THR 22 H THR 22 -8.583 -7.235 0.095 149 HA THR 22 HA THR 22 -6.648 -8.003 -1.898 150 HB THR 22 HB THR 22 -8.367 -6.196 -3.075 151 HG1 THR 22 1HG THR 22 -10.065 -5.952 -1.669 152 1HG2 THR 22 1HG2 THR 22 -9.094 -9.069 -2.292 153 2HG2 THR 22 2HG2 THR 22 -9.858 -8.121 -3.591 154 3HG2 THR 22 3HG2 THR 22 -8.153 -8.613 -3.733 155 H ILE 23 H ILE 23 -5.670 -6.343 -3.381 156 HA ILE 23 HA ILE 23 -4.042 -4.655 -1.858 157 HB ILE 23 HB ILE 23 -4.585 -4.735 -4.828 158 2HG1 ILE 23 2HG1 ILE 23 -2.454 -6.039 -4.878 159 1HG2 ILE 23 1HG2 ILE 23 -2.878 -2.997 -3.186 160 2HG2 ILE 23 2HG2 ILE 23 -2.024 -3.814 -4.516 161 3HG2 ILE 23 3HG2 ILE 23 -3.451 -2.807 -4.861 162 1HD1 ILE 23 1HD1 ILE 23 -2.779 -6.895 -2.064 163 2HD1 ILE 23 2HD1 ILE 23 -1.293 -6.579 -2.992 164 3HD1 ILE 23 3HD1 ILE 23 -2.177 -5.229 -2.238 165 H GLU 24 H GLU 24 -6.885 -3.985 -4.004 166 HA GLU 24 HA GLU 24 -6.842 -1.268 -3.765 167 2HB GLU 24 2HB GLU 24 -9.573 -1.981 -3.828 168 2HG GLU 24 2HG GLU 24 -7.999 -2.074 -6.376 169 H ASN 25 H ASN 25 -8.068 -3.762 -1.512 170 HA ASN 25 HA ASN 25 -9.511 -2.019 0.105 171 2HB ASN 25 2HB ASN 25 -8.156 -4.706 0.663 172 1HD2 ASN 25 1HD2 ASN 25 -7.355 -3.629 2.645 173 2HD2 ASN 25 2HD2 ASN 25 -8.389 -3.560 4.033 174 H VAL 26 H VAL 26 -6.183 -3.482 0.372 175 HA VAL 26 HA VAL 26 -5.474 -2.141 2.720 176 HB VAL 26 HB VAL 26 -3.675 -3.140 0.505 177 1HG1 VAL 26 1HG1 VAL 26 -3.029 -1.790 2.833 178 2HG1 VAL 26 2HG1 VAL 26 -2.827 -3.499 3.289 179 3HG1 VAL 26 3HG1 VAL 26 -1.939 -2.838 1.895 180 1HG2 VAL 26 1HG2 VAL 26 -4.127 -5.273 1.030 181 2HG2 VAL 26 2HG2 VAL 26 -4.129 -4.937 2.777 182 3HG2 VAL 26 3HG2 VAL 26 -5.595 -4.641 1.812 183 H LYS 27 H LYS 27 -5.208 -1.299 -0.766 184 HA LYS 27 HA LYS 27 -3.747 1.098 -0.184 185 2HB LYS 27 2HB LYS 27 -4.318 -0.519 -2.471 186 2HG LYS 27 2HG LYS 27 -4.924 2.457 -2.816 187 2HD LYS 27 2HD LYS 27 -3.864 1.875 -4.823 188 2HE LYS 27 2HE LYS 27 -4.969 -0.919 -4.328 189 1HZ LYS 27 1HZ LYS 27 -3.880 -1.427 -6.443 190 2HZ LYS 27 2HZ LYS 27 -5.194 -0.477 -6.636 191 3HZ LYS 27 3HZ LYS 27 -3.697 0.167 -6.742 192 H ALA 28 H ALA 28 -7.036 0.077 -0.042 193 HA ALA 28 HA ALA 28 -8.194 2.596 -0.722 194 1HB ALA 28 1HB ALA 28 -9.084 -0.077 0.274 195 2HB ALA 28 2HB ALA 28 -10.142 1.309 0.630 196 3HB ALA 28 3HB ALA 28 -9.723 0.917 -1.056 197 H LYS 29 H LYS 29 -7.078 0.919 2.243 198 HA LYS 29 HA LYS 29 -8.256 2.698 4.061 199 2HB LYS 29 2HB LYS 29 -5.899 1.663 5.209 200 2HG LYS 29 2HG LYS 29 -8.729 0.513 5.127 201 2HD LYS 29 2HD LYS 29 -6.926 0.350 7.525 202 2HE LYS 29 2HE LYS 29 -9.410 -0.519 7.190 203 1HZ LYS 29 1HZ LYS 29 -9.609 -2.197 5.804 204 2HZ LYS 29 2HZ LYS 29 -8.059 -2.018 5.325 205 3HZ LYS 29 3HZ LYS 29 -8.424 -3.048 6.538 206 H ILE 30 H ILE 30 -4.911 2.548 2.656 207 HA ILE 30 HA ILE 30 -4.012 4.863 3.918 208 HB ILE 30 HB ILE 30 -2.456 4.803 1.773 209 2HG1 ILE 30 2HG1 ILE 30 -4.234 2.907 0.977 210 1HG2 ILE 30 1HG2 ILE 30 -1.897 2.459 3.429 211 2HG2 ILE 30 2HG2 ILE 30 -0.971 3.963 3.210 212 3HG2 ILE 30 3HG2 ILE 30 -2.314 3.907 4.377 213 1HD1 ILE 30 1HD1 ILE 30 -2.838 2.810 -0.820 214 2HD1 ILE 30 2HD1 ILE 30 -1.848 3.998 0.059 215 3HD1 ILE 30 3HD1 ILE 30 -1.464 2.264 0.171 216 H GLN 31 H GLN 31 -5.000 4.467 0.438 217 HA GLN 31 HA GLN 31 -4.954 7.001 -0.320 218 2HB GLN 31 2HB GLN 31 -7.051 6.391 -1.749 219 2HG GLN 31 2HG GLN 31 -5.713 5.118 -3.222 220 1HE2 GLN 31 1HE2 GLN 31 -3.268 5.281 -0.738 221 2HE2 GLN 31 2HE2 GLN 31 -2.406 6.664 -1.325 222 H ASP 32 H ASP 32 -7.196 5.571 2.007 223 HA ASP 32 HA ASP 32 -8.925 7.860 1.892 224 2HB ASP 32 2HB ASP 32 -9.628 6.378 4.155 225 H LYS 33 H LYS 33 -6.574 6.213 4.108 226 HA LYS 33 HA LYS 33 -6.804 7.665 6.366 227 2HB LYS 33 2HB LYS 33 -4.235 7.330 6.506 228 2HG LYS 33 2HG LYS 33 -4.720 4.698 6.401 229 2HD LYS 33 2HD LYS 33 -6.281 6.464 8.340 230 2HE LYS 33 2HE LYS 33 -4.779 3.930 9.026 231 1HZ LYS 33 1HZ LYS 33 -7.368 4.665 10.065 232 2HZ LYS 33 2HZ LYS 33 -6.080 4.024 10.837 233 3HZ LYS 33 3HZ LYS 33 -6.116 5.621 10.496 234 H GLU 34 H GLU 34 -4.668 8.564 3.561 235 HA GLU 34 HA GLU 34 -4.323 11.156 4.702 236 2HB GLU 34 2HB GLU 34 -2.375 10.529 3.616 237 2HG GLU 34 2HG GLU 34 -2.701 9.534 1.123 238 H GLY 35 H GLY 35 -6.063 9.650 1.928 239 1HA GLY 35 1HA GLY 35 -8.180 10.483 1.275 240 2HA GLY 35 2HA GLY 35 -7.690 12.100 1.741 241 H ILE 36 H ILE 36 -6.251 9.485 -0.349 242 HA ILE 36 HA ILE 36 -6.357 11.341 -2.589 243 HB ILE 36 HB ILE 36 -4.235 11.906 -2.060 244 2HG1 ILE 36 2HG1 ILE 36 -3.916 11.103 -4.221 245 1HG2 ILE 36 1HG2 ILE 36 -2.593 10.471 -0.930 246 2HG2 ILE 36 2HG2 ILE 36 -4.102 10.624 0.004 247 3HG2 ILE 36 3HG2 ILE 36 -3.773 9.137 -0.917 248 1HD1 ILE 36 1HD1 ILE 36 -1.791 11.111 -2.745 249 2HD1 ILE 36 2HD1 ILE 36 -1.958 9.339 -2.703 250 3HD1 ILE 36 3HD1 ILE 36 -1.714 10.173 -4.256 251 HA PRO 37 HA PRO 37 -7.504 7.652 -4.531 252 2HB PRO 37 2HB PRO 37 -8.760 8.791 -6.090 253 2HG PRO 37 2HG PRO 37 -8.197 11.013 -6.345 254 2HD PRO 37 2HD PRO 37 -7.233 11.426 -4.299 255 HA PRO 38 HA PRO 38 -3.892 5.613 -5.478 256 2HB PRO 38 2HB PRO 38 -4.594 3.682 -4.440 257 2HG PRO 38 2HG PRO 38 -6.875 3.525 -4.136 258 2HD PRO 38 2HD PRO 38 -7.444 5.752 -4.161 259 H ASP 39 H ASP 39 -6.489 5.925 -7.692 260 HA ASP 39 HA ASP 39 -5.662 4.724 -9.887 261 2HB ASP 39 2HB ASP 39 -6.271 7.306 -10.840 262 H GLN 40 H GLN 40 -4.112 7.452 -8.223 263 HA GLN 40 HA GLN 40 -2.310 7.838 -10.460 264 2HB GLN 40 2HB GLN 40 -1.483 9.784 -8.984 265 2HG GLN 40 2HG GLN 40 -3.022 10.189 -10.864 266 1HE2 GLN 40 1HE2 GLN 40 -4.768 9.476 -7.847 267 2HE2 GLN 40 2HE2 GLN 40 -6.223 8.875 -8.569 268 H GLN 41 H GLN 41 -2.476 6.718 -7.066 269 HA GLN 41 HA GLN 41 0.370 6.396 -6.965 270 2HB GLN 41 2HB GLN 41 -0.106 5.477 -4.673 271 2HG GLN 41 2HG GLN 41 -1.279 7.616 -3.812 272 1HE2 GLN 41 1HE2 GLN 41 0.142 9.048 -3.045 273 2HE2 GLN 41 2HE2 GLN 41 1.787 9.215 -3.560 274 H ARG 42 H ARG 42 0.932 4.041 -5.782 275 HA ARG 42 HA ARG 42 -0.476 1.839 -6.501 276 2HB ARG 42 2HB ARG 42 1.675 1.570 -8.444 277 2HG ARG 42 2HG ARG 42 -1.370 1.658 -8.696 278 2HD ARG 42 2HD ARG 42 0.384 0.188 -10.646 279 HE ARG 42 HE ARG 42 -1.821 0.064 -11.418 280 1HH1 ARG 42 2HH2 ARG 42 -1.153 3.359 -10.377 281 2HH1 ARG 42 1HH2 ARG 42 -2.656 3.985 -10.968 282 1HH2 ARG 42 2HH1 ARG 42 -3.804 0.891 -12.198 283 2HH2 ARG 42 1HH1 ARG 42 -4.173 2.573 -12.011 284 H LEU 43 H LEU 43 0.373 0.375 -5.053 285 HA LEU 43 HA LEU 43 3.097 0.784 -4.157 286 2HB LEU 43 2HB LEU 43 1.917 0.441 -2.290 287 HG LEU 43 HG LEU 43 -0.020 -1.172 -2.069 288 1HD1 LEU 43 1HD1 LEU 43 -1.457 0.523 -3.670 289 2HD1 LEU 43 2HD1 LEU 43 -0.943 0.866 -2.002 290 3HD1 LEU 43 3HD1 LEU 43 0.026 1.461 -3.371 291 1HD2 LEU 43 1HD2 LEU 43 -1.098 -1.242 -4.597 292 2HD2 LEU 43 2HD2 LEU 43 0.624 -1.576 -4.899 293 3HD2 LEU 43 3HD2 LEU 43 -0.295 -2.596 -3.767 294 H ILE 44 H ILE 44 4.547 -1.166 -3.886 295 HA ILE 44 HA ILE 44 4.048 -3.162 -5.966 296 HB ILE 44 HB ILE 44 6.627 -1.626 -5.619 297 2HG1 ILE 44 2HG1 ILE 44 6.107 -0.331 -7.418 298 1HG2 ILE 44 1HG2 ILE 44 7.434 -2.882 -7.530 299 2HG2 ILE 44 2HG2 ILE 44 6.956 -3.993 -6.225 300 3HG2 ILE 44 3HG2 ILE 44 5.894 -3.767 -7.635 301 1HD1 ILE 44 1HD1 ILE 44 4.372 -1.011 -9.144 302 2HD1 ILE 44 2HD1 ILE 44 5.794 -2.080 -9.076 303 3HD1 ILE 44 3HD1 ILE 44 4.262 -2.587 -8.323 304 H PHE 45 H PHE 45 5.411 -5.140 -5.662 305 HA PHE 45 HA PHE 45 6.741 -5.442 -3.159 306 2HB PHE 45 2HB PHE 45 4.183 -7.047 -3.721 307 HD1 PHE 45 1HD PHE 45 5.964 -5.549 -0.793 308 HD2 PHE 45 2HD PHE 45 4.332 -9.037 -2.576 309 HE1 PHE 45 1HE PHE 45 6.531 -6.867 1.267 310 HE2 PHE 45 2HE PHE 45 4.899 -10.355 -0.517 311 HZ PHE 45 HZ PHE 45 5.991 -9.254 1.380 312 H ALA 46 H ALA 46 8.377 -6.866 -3.517 313 HA ALA 46 HA ALA 46 9.579 -8.490 -4.417 314 1HB ALA 46 1HB ALA 46 7.447 -10.075 -5.640 315 2HB ALA 46 2HB ALA 46 8.544 -10.488 -4.301 316 3HB ALA 46 3HB ALA 46 7.042 -9.591 -3.976 317 H GLY 47 H GLY 47 8.966 -6.070 -5.928 318 1HA GLY 47 1HA GLY 47 9.237 -5.227 -7.992 319 2HA GLY 47 2HA GLY 47 10.072 -6.714 -8.393 320 H LYS 48 H LYS 48 6.699 -6.781 -7.262 321 HA LYS 48 HA LYS 48 5.898 -7.432 -10.013 322 2HB LYS 48 2HB LYS 48 5.955 -9.251 -8.106 323 2HG LYS 48 2HG LYS 48 3.090 -8.461 -7.746 324 2HD LYS 48 2HD LYS 48 3.863 -9.241 -5.331 325 2HE LYS 48 2HE LYS 48 3.454 -10.931 -7.811 326 1HZ LYS 48 1HZ LYS 48 3.544 -12.145 -5.175 327 2HZ LYS 48 2HZ LYS 48 3.725 -12.841 -6.641 328 3HZ LYS 48 3HZ LYS 48 4.943 -11.966 -5.996 329 H GLN 49 H GLN 49 3.781 -6.716 -10.694 330 HA GLN 49 HA GLN 49 3.181 -4.179 -9.575 331 2HB GLN 49 2HB GLN 49 2.214 -5.800 -11.926 332 2HG GLN 49 2HG GLN 49 0.900 -3.230 -10.925 333 1HE2 GLN 49 1HE2 GLN 49 -1.530 -3.885 -12.118 334 2HE2 GLN 49 2HE2 GLN 49 -1.390 -3.772 -13.840 335 H LEU 50 H LEU 50 2.070 -4.057 -7.664 336 HA LEU 50 HA LEU 50 0.355 -6.133 -6.804 337 2HB LEU 50 2HB LEU 50 -0.165 -3.764 -5.358 338 HG LEU 50 HG LEU 50 0.125 -6.016 -4.353 339 1HD1 LEU 50 1HD1 LEU 50 2.143 -6.594 -5.767 340 2HD1 LEU 50 2HD1 LEU 50 3.104 -5.596 -4.649 341 3HD1 LEU 50 3HD1 LEU 50 2.241 -7.030 -4.045 342 1HD2 LEU 50 1HD2 LEU 50 1.863 -5.046 -2.523 343 2HD2 LEU 50 2HD2 LEU 50 1.413 -3.542 -3.362 344 3HD2 LEU 50 3HD2 LEU 50 0.152 -4.563 -2.629 345 H GLU 51 H GLU 51 -1.598 -6.589 -7.655 346 HA GLU 51 HA GLU 51 -3.206 -4.286 -8.442 347 2HB GLU 51 2HB GLU 51 -3.145 -7.011 -9.812 348 2HG GLU 51 2HG GLU 51 -5.239 -5.231 -9.757 349 H ASP 52 H ASP 52 -5.441 -4.363 -7.900 350 HA ASP 52 HA ASP 52 -6.075 -5.646 -5.596 351 2HB ASP 52 2HB ASP 52 -7.618 -3.995 -6.035 352 H GLY 53 H GLY 53 -6.036 -6.801 -8.929 353 1HA GLY 53 1HA GLY 53 -7.890 -8.743 -9.138 354 2HA GLY 53 2HA GLY 53 -6.254 -8.900 -9.744 355 H ARG 54 H ARG 54 -5.135 -8.672 -6.894 356 HA ARG 54 HA ARG 54 -6.060 -11.244 -5.916 357 2HB ARG 54 2HB ARG 54 -3.633 -11.791 -5.363 358 2HG ARG 54 2HG ARG 54 -3.056 -11.735 -8.071 359 2HD ARG 54 2HD ARG 54 -4.111 -13.609 -6.140 360 HE ARG 54 HE ARG 54 -6.126 -14.051 -7.288 361 1HH1 ARG 54 2HH2 ARG 54 -3.444 -13.889 -9.560 362 2HH1 ARG 54 1HH2 ARG 54 -4.361 -14.524 -10.885 363 1HH2 ARG 54 2HH1 ARG 54 -7.336 -14.889 -9.037 364 2HH2 ARG 54 1HH1 ARG 54 -6.590 -15.096 -10.586 365 H THR 55 H THR 55 -4.497 -11.516 -3.638 366 HA THR 55 HA THR 55 -5.048 -9.015 -2.177 367 HB THR 55 HB THR 55 -5.412 -10.619 -0.223 368 HG1 THR 55 1HG THR 55 -5.670 -12.888 -1.028 369 1HG2 THR 55 1HG2 THR 55 -7.380 -9.850 -1.645 370 2HG2 THR 55 2HG2 THR 55 -7.128 -11.282 -2.673 371 3HG2 THR 55 3HG2 THR 55 -7.593 -11.482 -0.965 372 H LEU 56 H LEU 56 -3.752 -9.728 0.222 373 HA LEU 56 HA LEU 56 -1.061 -9.163 -0.590 374 2HB LEU 56 2HB LEU 56 -0.671 -8.614 1.633 375 HG LEU 56 HG LEU 56 -3.657 -8.146 1.430 376 1HD1 LEU 56 1HD1 LEU 56 -3.508 -6.769 3.202 377 2HD1 LEU 56 2HD1 LEU 56 -2.063 -7.735 3.585 378 3HD1 LEU 56 3HD1 LEU 56 -1.893 -6.174 2.747 379 1HD2 LEU 56 1HD2 LEU 56 -1.700 -7.260 -0.363 380 2HD2 LEU 56 2HD2 LEU 56 -3.358 -6.642 -0.175 381 3HD2 LEU 56 3HD2 LEU 56 -2.017 -5.873 0.706 382 H SER 57 H SER 57 -2.886 -11.881 0.907 383 HA SER 57 HA SER 57 -0.631 -13.416 1.445 384 2HB SER 57 2HB SER 57 -3.357 -14.573 0.777 385 HG SER 57 HG SER 57 -2.320 -16.255 1.616 386 H ASP 58 H ASP 58 -2.533 -12.807 -1.482 387 HA ASP 58 HA ASP 58 -1.737 -15.095 -2.869 388 2HB ASP 58 2HB ASP 58 -2.310 -13.547 -4.908 389 H TYR 59 H TYR 59 -0.278 -11.955 -2.130 390 HA TYR 59 HA TYR 59 1.822 -12.391 -4.126 391 2HB TYR 59 2HB TYR 59 2.342 -9.966 -3.336 392 HD1 TYR 59 1HD TYR 59 0.253 -11.892 -5.237 393 HD2 TYR 59 2HD TYR 59 0.508 -7.893 -3.737 394 HE1 TYR 59 1HE TYR 59 -1.231 -11.077 -7.135 395 HE2 TYR 59 2HE TYR 59 -0.975 -7.091 -5.639 396 HH TYR 59 HH TYR 59 -1.728 -9.117 -8.312 397 H ASN 60 H ASN 60 1.185 -13.409 -1.066 398 HA ASN 60 HA ASN 60 2.455 -14.255 0.485 399 2HB ASN 60 2HB ASN 60 4.867 -14.526 0.209 400 1HD2 ASN 60 1HD2 ASN 60 4.724 -16.495 -0.559 401 2HD2 ASN 60 2HD2 ASN 60 4.260 -16.961 -2.162 402 H ILE 61 H ILE 61 1.556 -11.349 0.277 403 HA ILE 61 HA ILE 61 3.614 -9.835 1.586 404 HB ILE 61 HB ILE 61 0.793 -9.308 0.703 405 2HG1 ILE 61 2HG1 ILE 61 2.787 -9.298 -0.885 406 1HG2 ILE 61 1HG2 ILE 61 0.880 -8.151 2.779 407 2HG2 ILE 61 2HG2 ILE 61 2.524 -7.551 2.454 408 3HG2 ILE 61 3HG2 ILE 61 1.151 -6.946 1.496 409 1HD1 ILE 61 1HD1 ILE 61 0.792 -7.097 -0.446 410 2HD1 ILE 61 2HD1 ILE 61 2.097 -6.794 -1.618 411 3HD1 ILE 61 3HD1 ILE 61 1.001 -8.179 -1.844 412 H GLN 62 H GLN 62 4.084 -11.004 3.503 413 HA GLN 62 HA GLN 62 1.935 -11.628 5.262 414 2HB GLN 62 2HB GLN 62 3.960 -13.060 5.089 415 2HG GLN 62 2HG GLN 62 5.387 -10.746 6.481 416 1HE2 GLN 62 1HE2 GLN 62 6.116 -13.464 4.308 417 2HE2 GLN 62 2HE2 GLN 62 7.300 -14.238 5.307 418 H LYS 63 H LYS 63 2.984 -10.998 7.810 419 HA LYS 63 HA LYS 63 2.191 -8.294 8.011 420 2HB LYS 63 2HB LYS 63 3.601 -9.488 10.310 421 2HG LYS 63 2HG LYS 63 0.721 -8.561 9.890 422 2HD LYS 63 2HD LYS 63 2.320 -9.515 12.209 423 2HE LYS 63 2HE LYS 63 0.358 -7.289 12.775 424 1HZ LYS 63 1HZ LYS 63 2.792 -7.697 14.245 425 2HZ LYS 63 2HZ LYS 63 1.274 -7.438 14.790 426 3HZ LYS 63 3HZ LYS 63 1.727 -8.934 14.315 427 H GLU 64 H GLU 64 3.547 -6.576 9.114 428 HA GLU 64 HA GLU 64 5.202 -5.175 8.829 429 2HB GLU 64 2HB GLU 64 7.278 -5.831 9.853 430 2HG GLU 64 2HG GLU 64 4.741 -6.729 10.918 431 H SER 65 H SER 65 4.487 -5.482 6.372 432 HA SER 65 HA SER 65 6.795 -6.466 4.895 433 2HB SER 65 2HB SER 65 4.601 -5.787 3.157 434 HG SER 65 HG SER 65 4.848 -8.482 3.728 435 H THR 66 H THR 66 7.224 -5.142 2.774 436 HA THR 66 HA THR 66 6.675 -2.292 3.210 437 HB THR 66 HB THR 66 9.415 -3.471 2.521 438 HG1 THR 66 1HG THR 66 9.777 -3.133 4.786 439 1HG2 THR 66 1HG2 THR 66 9.051 -1.069 1.856 440 2HG2 THR 66 2HG2 THR 66 8.533 -0.711 3.521 441 3HG2 THR 66 3HG2 THR 66 10.209 -1.217 3.200 442 H LEU 67 H LEU 67 5.534 -1.609 1.517 443 HA LEU 67 HA LEU 67 5.958 -2.960 -1.028 444 2HB LEU 67 2HB LEU 67 3.908 -1.782 -1.704 445 HG LEU 67 HG LEU 67 2.348 -3.056 -0.583 446 1HD1 LEU 67 1HD1 LEU 67 4.574 -4.309 -1.345 447 2HD1 LEU 67 2HD1 LEU 67 4.615 -4.729 0.385 448 3HD1 LEU 67 3HD1 LEU 67 3.199 -5.163 -0.603 449 1HD2 LEU 67 1HD2 LEU 67 2.028 -2.732 1.587 450 2HD2 LEU 67 2HD2 LEU 67 3.394 -3.826 1.917 451 3HD2 LEU 67 3HD2 LEU 67 3.671 -2.073 1.778 452 H HIS 68 H HIS 68 6.545 -1.847 -2.948 453 HA HIS 68 HA HIS 68 7.976 0.626 -2.371 454 2HB HIS 68 2HB HIS 68 9.009 0.114 -4.661 455 HD1 HIS 68 1HD HIS 68 11.290 0.270 -3.632 456 HD2 HIS 68 2HD HIS 68 9.072 -2.944 -2.101 457 HE1 HIS 68 1HE HIS 68 12.867 -1.020 -2.097 458 H LEU 69 H LEU 69 6.798 2.445 -2.714 459 HA LEU 69 HA LEU 69 4.613 2.391 -4.577 460 2HB LEU 69 2HB LEU 69 5.718 4.330 -2.586 461 HG LEU 69 HG LEU 69 5.107 5.755 -4.509 462 1HD1 LEU 69 1HD1 LEU 69 3.400 5.299 -5.847 463 2HD1 LEU 69 2HD1 LEU 69 3.046 3.854 -4.870 464 3HD1 LEU 69 3HD1 LEU 69 2.259 5.403 -4.485 465 1HD2 LEU 69 1HD2 LEU 69 4.255 7.298 -3.134 466 2HD2 LEU 69 2HD2 LEU 69 2.827 6.309 -2.746 467 3HD2 LEU 69 3HD2 LEU 69 4.360 6.036 -1.883 468 H VAL 70 H VAL 70 4.411 3.756 -6.458 469 HA VAL 70 HA VAL 70 6.976 4.089 -7.772 470 HB VAL 70 HB VAL 70 5.794 4.063 -9.763 471 1HG1 VAL 70 1HG1 VAL 70 4.201 2.354 -7.822 472 2HG1 VAL 70 2HG1 VAL 70 4.182 2.183 -9.594 473 3HG1 VAL 70 3HG1 VAL 70 5.685 1.888 -8.688 474 1HG2 VAL 70 1HG2 VAL 70 4.175 5.688 -9.729 475 2HG2 VAL 70 2HG2 VAL 70 3.145 4.241 -9.603 476 3HG2 VAL 70 3HG2 VAL 70 3.540 5.184 -8.145 477 H LEU 71 H LEU 71 6.042 6.188 -9.594 478 HA LEU 71 HA LEU 71 7.081 8.394 -8.514 479 2HB LEU 71 2HB LEU 71 5.218 9.556 -10.038 480 HG LEU 71 HG LEU 71 6.565 9.326 -11.960 481 1HD1 LEU 71 1HD1 LEU 71 7.627 10.110 -9.567 482 2HD1 LEU 71 2HD1 LEU 71 8.825 8.916 -10.122 483 3HD1 LEU 71 3HD1 LEU 71 8.411 10.306 -11.153 484 1HD2 LEU 71 1HD2 LEU 71 8.114 6.996 -10.872 485 2HD2 LEU 71 2HD2 LEU 71 6.562 6.731 -11.702 486 3HD2 LEU 71 3HD2 LEU 71 7.899 7.539 -12.554 487 H ARG 72 H ARG 72 6.668 9.786 -6.875 488 HA ARG 72 HA ARG 72 4.336 9.300 -5.338 489 2HB ARG 72 2HB ARG 72 5.953 11.714 -4.689 490 2HG ARG 72 2HG ARG 72 5.399 9.121 -3.170 491 2HD ARG 72 2HD ARG 72 7.331 10.527 -2.325 492 HE ARG 72 HE ARG 72 6.878 12.819 -2.539 493 1HH1 ARG 72 2HH2 ARG 72 4.148 11.229 -0.991 494 2HH1 ARG 72 1HH2 ARG 72 3.341 12.712 -0.602 495 1HH2 ARG 72 2HH1 ARG 72 5.815 14.776 -2.026 496 2HH2 ARG 72 1HH1 ARG 72 4.296 14.743 -1.194 497 H LEU 73 H LEU 73 2.954 11.243 -4.545 498 HA LEU 73 HA LEU 73 2.721 13.293 -6.617 499 2HB LEU 73 2HB LEU 73 0.207 13.008 -6.407 500 HG LEU 73 HG LEU 73 2.003 11.649 -8.120 501 1HD1 LEU 73 1HD1 LEU 73 1.630 9.526 -7.215 502 2HD1 LEU 73 2HD1 LEU 73 -0.103 9.836 -6.953 503 3HD1 LEU 73 3HD1 LEU 73 0.522 9.609 -8.605 504 1HD2 LEU 73 1HD2 LEU 73 -0.103 13.233 -8.433 505 2HD2 LEU 73 2HD2 LEU 73 0.455 12.137 -9.720 506 3HD2 LEU 73 3HD2 LEU 73 -0.925 11.676 -8.694 507 H ARG 74 H ARG 74 0.659 14.782 -5.629 508 HA ARG 74 HA ARG 74 1.834 16.207 -3.662 509 2HB ARG 74 2HB ARG 74 -0.762 16.857 -3.198 510 2HG ARG 74 2HG ARG 74 1.199 18.029 -4.594 511 2HD ARG 74 2HD ARG 74 0.766 16.474 -6.587 512 HE ARG 74 HE ARG 74 -1.516 16.373 -7.107 513 1HH1 ARG 74 2HH2 ARG 74 -0.597 19.731 -6.597 514 2HH1 ARG 74 1HH2 ARG 74 -2.122 20.361 -7.123 515 1HH2 ARG 74 2HH1 ARG 74 -3.527 17.204 -7.802 516 2HH2 ARG 74 1HH1 ARG 74 -3.800 18.915 -7.814 517 H GLY 75 H GLY 75 1.751 16.255 -1.367 518 1HA GLY 75 1HA GLY 75 -0.065 15.016 0.283 519 2HA GLY 75 2HA GLY 75 1.133 13.787 -0.070 520 H GLY 76 H GLY 76 0.441 16.782 1.632 521 1HA GLY 76 1HA GLY 76 3.034 16.547 3.005 522 2HA GLY 76 2HA GLY 76 2.546 18.090 2.335
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