NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636890 | 6qf8 | 34351 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 -4.170 44.971 -13.202 2 HA MET 1 HA MET 1 -5.600 45.582 -11.745 3 HB2 MET 1 HB2 MET 1 -6.777 44.061 -10.174 4 HB3 MET 1 HB3 MET 1 -6.850 43.070 -11.676 5 HG2 MET 1 HG2 MET 1 -4.795 41.816 -10.629 6 HG3 MET 1 HG3 MET 1 -4.962 42.919 -9.288 7 HE1 MET 1 HE1 MET 1 -4.740 40.800 -7.577 8 HE2 MET 1 HE2 MET 1 -4.734 39.598 -8.871 9 HE3 MET 1 HE3 MET 1 -5.958 39.581 -7.571 10 H GLN 2 H GLN 2 -5.147 46.343 -9.431 11 HA GLN 2 HA GLN 2 -2.338 46.292 -8.806 12 HB2 GLN 2 HB2 GLN 2 -4.608 48.104 -7.973 13 HB3 GLN 2 HB3 GLN 2 -2.896 48.302 -7.561 14 HG2 GLN 2 HG2 GLN 2 -4.155 48.320 -10.388 15 HG3 GLN 2 HG3 GLN 2 -3.675 49.641 -9.383 16 HE21 GLN 2 HE21 GLN 2 -2.636 48.403 -12.164 17 HE22 GLN 2 HE22 GLN 2 -0.957 47.949 -11.800 18 H ILE 3 H ILE 3 -1.459 45.312 -6.947 19 HA ILE 3 HA ILE 3 -3.122 45.069 -4.605 20 HB ILE 3 HB ILE 3 -2.265 42.918 -3.940 21 HG12 ILE 3 HG12 ILE 3 -1.235 41.430 -5.858 22 HG13 ILE 3 HG13 ILE 3 -0.617 43.017 -6.509 23 HG21 ILE 3 HG21 ILE 3 -3.545 41.580 -5.636 24 HG22 ILE 3 HG22 ILE 3 -3.527 42.920 -6.824 25 HG23 ILE 3 HG23 ILE 3 -4.352 43.137 -5.232 26 HD11 ILE 3 HD11 ILE 3 0.465 43.389 -4.124 27 HD12 ILE 3 HD12 ILE 3 1.065 42.093 -5.283 28 HD13 ILE 3 HD13 ILE 3 -0.044 41.727 -3.899 29 H PHE 4 H PHE 4 -2.011 45.138 -2.695 30 HA PHE 4 HA PHE 4 0.473 46.724 -2.951 31 HB2 PHE 4 HB2 PHE 4 -1.644 46.616 -0.620 32 HB3 PHE 4 HB3 PHE 4 -0.191 47.614 -0.574 33 HD1 PHE 4 HD1 PHE 4 -3.614 47.881 -1.203 34 HD2 PHE 4 HD2 PHE 4 0.037 49.138 -3.063 35 HE1 PHE 4 HE1 PHE 4 -4.780 49.627 -2.550 36 HE2 PHE 4 HE2 PHE 4 -1.107 50.920 -4.124 37 HZ PHE 4 HZ PHE 4 -3.531 51.196 -3.790 38 H VAL 5 H VAL 5 2.315 46.214 -1.947 39 HA VAL 5 HA VAL 5 2.282 43.966 -0.023 40 HB VAL 5 HB VAL 5 4.404 44.490 -2.108 41 HG11 VAL 5 HG11 VAL 5 5.426 42.562 -0.993 42 HG12 VAL 5 HG12 VAL 5 4.236 42.564 0.264 43 HG13 VAL 5 HG13 VAL 5 5.392 43.963 0.079 44 HG21 VAL 5 HG21 VAL 5 2.430 42.269 -1.645 45 HG22 VAL 5 HG22 VAL 5 3.802 42.154 -2.743 46 HG23 VAL 5 HG23 VAL 5 2.501 43.390 -3.102 47 H LYS 6 H LYS 6 2.447 44.609 1.884 48 HA LYS 6 HA LYS 6 3.997 47.008 2.620 49 HB2 LYS 6 HB2 LYS 6 1.778 46.833 3.683 50 HB3 LYS 6 HB3 LYS 6 2.119 45.317 4.337 51 HG2 LYS 6 HG2 LYS 6 1.997 47.006 6.035 52 HG3 LYS 6 HG3 LYS 6 3.701 46.417 5.884 53 HD2 LYS 6 HD2 LYS 6 4.511 48.405 5.237 54 HD3 LYS 6 HD3 LYS 6 3.090 48.894 4.308 55 HE2 LYS 6 HE2 LYS 6 2.199 49.068 6.948 56 HE3 LYS 6 HE3 LYS 6 3.958 49.016 7.310 57 HZ1 LYS 6 HZ1 LYS 6 2.512 51.190 5.982 58 HZ2 LYS 6 HZ2 LYS 6 4.166 50.954 5.713 59 HZ3 LYS 6 HZ3 LYS 6 3.496 51.267 7.253 60 H THR 7 H THR 7 6.146 46.996 2.833 61 HA THR 7 HA THR 7 7.345 44.602 3.288 62 HB THR 7 HB THR 7 9.489 45.740 3.217 63 HG1 THR 7 HG1 THR 7 9.876 47.676 3.567 64 HG21 THR 7 HG21 THR 7 7.728 45.633 1.110 65 HG22 THR 7 HG22 THR 7 9.187 46.591 0.896 66 HG23 THR 7 HG23 THR 7 7.623 47.408 1.356 67 H LEU 8 H LEU 8 9.191 44.203 4.960 68 HA LEU 8 HA LEU 8 7.912 44.056 7.426 69 HB2 LEU 8 HB2 LEU 8 9.432 42.274 6.518 70 HB3 LEU 8 HB3 LEU 8 10.720 43.524 6.345 71 HG LEU 8 HG LEU 8 10.709 43.655 8.859 72 HD11 LEU 8 HD11 LEU 8 9.517 41.863 10.176 73 HD12 LEU 8 HD12 LEU 8 8.923 41.121 8.678 74 HD13 LEU 8 HD13 LEU 8 8.226 42.669 9.164 75 HD21 LEU 8 HD21 LEU 8 11.868 41.344 9.080 76 HD22 LEU 8 HD22 LEU 8 12.201 42.256 7.602 77 HD23 LEU 8 HD23 LEU 8 11.040 40.862 7.648 78 H THR 9 H THR 9 10.511 46.308 6.393 79 HA THR 9 HA THR 9 10.564 47.508 8.957 80 HB THR 9 HB THR 9 11.959 49.273 7.858 81 HG1 THR 9 HG1 THR 9 12.030 49.131 5.723 82 HG21 THR 9 HG21 THR 9 12.727 46.326 8.043 83 HG22 THR 9 HG22 THR 9 13.044 47.596 9.149 84 HG23 THR 9 HG23 THR 9 13.903 47.666 7.666 85 H GLY 10 H GLY 10 8.679 47.962 6.084 86 HA2 GLY 10 HA2 GLY 10 6.406 48.514 6.732 87 HA3 GLY 10 HA3 GLY 10 7.093 49.868 7.712 88 H LYS 11 H LYS 11 7.869 49.169 4.278 89 HA LYS 11 HA LYS 11 6.757 51.729 3.489 90 HB2 LYS 11 HB2 LYS 11 8.392 49.616 2.046 91 HB3 LYS 11 HB3 LYS 11 7.896 51.212 1.385 92 HG2 LYS 11 HG2 LYS 11 9.749 50.931 3.801 93 HG3 LYS 11 HG3 LYS 11 10.333 50.860 2.117 94 HD2 LYS 11 HD2 LYS 11 9.514 53.210 1.704 95 HD3 LYS 11 HD3 LYS 11 8.505 53.088 3.165 96 HE2 LYS 11 HE2 LYS 11 10.616 53.121 4.519 97 HE3 LYS 11 HE3 LYS 11 11.493 53.502 2.985 98 HZ1 LYS 11 HZ1 LYS 11 10.956 55.570 3.789 99 HZ2 LYS 11 HZ2 LYS 11 9.450 55.141 4.455 100 HZ3 LYS 11 HZ3 LYS 11 9.722 55.179 2.819 101 H THR 12 H THR 12 5.291 51.622 1.556 102 HA THR 12 HA THR 12 3.944 49.060 1.042 103 HB THR 12 HB THR 12 2.919 51.913 0.556 104 HG1 THR 12 HG1 THR 12 2.770 51.358 2.612 105 HG21 THR 12 HG21 THR 12 0.720 50.353 -0.111 106 HG22 THR 12 HG22 THR 12 1.982 49.149 -0.195 107 HG23 THR 12 HG23 THR 12 1.963 50.478 -1.306 108 H ILE 13 H ILE 13 4.456 48.113 -0.912 109 HA ILE 13 HA ILE 13 4.990 49.926 -3.130 110 HB ILE 13 HB ILE 13 6.124 48.129 -4.469 111 HG12 ILE 13 HG12 ILE 13 5.915 46.543 -1.933 112 HG13 ILE 13 HG13 ILE 13 5.171 46.175 -3.474 113 HG21 ILE 13 HG21 ILE 13 7.719 48.432 -1.862 114 HG22 ILE 13 HG22 ILE 13 7.324 49.847 -2.846 115 HG23 ILE 13 HG23 ILE 13 8.425 48.597 -3.485 116 HD11 ILE 13 HD11 ILE 13 6.962 44.622 -3.436 117 HD12 ILE 13 HD12 ILE 13 8.099 45.737 -2.747 118 HD13 ILE 13 HD13 ILE 13 7.549 45.922 -4.481 119 H THR 14 H THR 14 4.072 49.518 -5.114 120 HA THR 14 HA THR 14 1.590 47.905 -4.953 121 HB THR 14 HB THR 14 2.067 50.281 -6.788 122 HG1 THR 14 HG1 THR 14 2.214 51.009 -4.505 123 HG21 THR 14 HG21 THR 14 0.292 48.849 -7.413 124 HG22 THR 14 HG22 THR 14 -0.331 50.443 -7.043 125 HG23 THR 14 HG23 THR 14 -0.633 49.047 -5.912 126 H LEU 15 H LEU 15 1.454 46.201 -6.295 127 HA LEU 15 HA LEU 15 3.178 46.127 -8.597 128 HB2 LEU 15 HB2 LEU 15 1.990 43.752 -6.937 129 HB3 LEU 15 HB3 LEU 15 3.321 43.626 -8.189 130 HG LEU 15 HG LEU 15 3.355 44.875 -5.485 131 HD11 LEU 15 HD11 LEU 15 5.000 42.606 -6.573 132 HD12 LEU 15 HD12 LEU 15 3.510 42.429 -5.464 133 HD13 LEU 15 HD13 LEU 15 4.980 43.218 -4.948 134 HD21 LEU 15 HD21 LEU 15 5.647 44.704 -7.466 135 HD22 LEU 15 HD22 LEU 15 5.942 45.073 -5.802 136 HD23 LEU 15 HD23 LEU 15 4.903 46.185 -6.745 137 H GLU 16 H GLU 16 2.278 45.888 -10.606 138 HA GLU 16 HA GLU 16 -0.495 45.486 -10.800 139 HB2 GLU 16 HB2 GLU 16 0.920 47.102 -12.305 140 HB3 GLU 16 HB3 GLU 16 1.763 45.751 -12.985 141 HG2 GLU 16 HG2 GLU 16 -0.344 44.965 -13.963 142 HG3 GLU 16 HG3 GLU 16 -1.273 45.992 -12.874 143 H VAL 17 H VAL 17 -1.257 43.455 -10.629 144 HA VAL 17 HA VAL 17 0.096 41.122 -11.822 145 HB VAL 17 HB VAL 17 -0.749 39.799 -9.863 146 HG11 VAL 17 HG11 VAL 17 0.733 42.410 -9.052 147 HG12 VAL 17 HG12 VAL 17 1.432 40.898 -9.812 148 HG13 VAL 17 HG13 VAL 17 0.751 40.838 -8.168 149 HG21 VAL 17 HG21 VAL 17 -1.982 42.503 -8.980 150 HG22 VAL 17 HG22 VAL 17 -1.913 41.081 -8.047 151 HG23 VAL 17 HG23 VAL 17 -2.880 41.092 -9.571 152 H GLU 18 H GLU 18 -1.319 39.162 -11.940 153 HA GLU 18 HA GLU 18 -3.963 39.943 -13.069 154 HB2 GLU 18 HB2 GLU 18 -2.017 37.784 -13.818 155 HB3 GLU 18 HB3 GLU 18 -3.703 37.680 -14.300 156 HG2 GLU 18 HG2 GLU 18 -3.661 39.600 -15.610 157 HG3 GLU 18 HG3 GLU 18 -2.058 40.174 -15.042 158 HA PRO 19 HA PRO 19 -5.676 37.257 -9.858 159 HB2 PRO 19 HB2 PRO 19 -7.153 36.130 -12.278 160 HB3 PRO 19 HB3 PRO 19 -7.903 36.329 -10.764 161 HG2 PRO 19 HG2 PRO 19 -8.383 38.208 -12.419 162 HG3 PRO 19 HG3 PRO 19 -7.500 38.696 -10.899 163 HD2 PRO 19 HD2 PRO 19 -6.179 38.344 -13.601 164 HD3 PRO 19 HD3 PRO 19 -6.001 39.712 -12.456 165 H SER 20 H SER 20 -4.719 35.717 -12.863 166 HA SER 20 HA SER 20 -4.222 33.103 -11.778 167 HB2 SER 20 HB2 SER 20 -3.389 32.657 -14.145 168 HB3 SER 20 HB3 SER 20 -5.085 33.304 -13.988 169 HG SER 20 HG SER 20 -2.788 34.812 -14.678 170 H ASP 21 H ASP 21 -2.337 35.776 -11.388 171 HA ASP 21 HA ASP 21 0.221 34.591 -11.850 172 HB2 ASP 21 HB2 ASP 21 -0.700 37.166 -10.515 173 HB3 ASP 21 HB3 ASP 21 0.990 36.478 -10.427 174 H THR 22 H THR 22 1.422 33.404 -10.484 175 HA THR 22 HA THR 22 0.367 32.298 -8.129 176 HB THR 22 HB THR 22 2.449 30.964 -8.114 177 HG1 THR 22 HG1 THR 22 3.790 31.102 -10.032 178 HG21 THR 22 HG21 THR 22 1.462 29.547 -10.092 179 HG22 THR 22 HG22 THR 22 0.616 31.010 -10.623 180 HG23 THR 22 HG23 THR 22 0.176 30.296 -9.103 181 H ILE 23 H ILE 23 1.299 32.334 -6.271 182 HA ILE 23 HA ILE 23 2.301 34.727 -5.260 183 HB ILE 23 HB ILE 23 2.030 31.913 -4.176 184 HG12 ILE 23 HG12 ILE 23 0.015 33.094 -4.616 185 HG13 ILE 23 HG13 ILE 23 0.342 32.892 -2.885 186 HG21 ILE 23 HG21 ILE 23 2.763 33.022 -1.854 187 HG22 ILE 23 HG22 ILE 23 3.049 34.467 -2.792 188 HG23 ILE 23 HG23 ILE 23 4.090 32.994 -3.037 189 HD11 ILE 23 HD11 ILE 23 0.572 35.546 -4.388 190 HD12 ILE 23 HD12 ILE 23 0.858 35.414 -2.595 191 HD13 ILE 23 HD13 ILE 23 -0.685 35.039 -3.280 192 H GLU 24 H GLU 24 4.028 31.879 -6.251 193 HA GLU 24 HA GLU 24 6.604 32.634 -6.044 194 HB2 GLU 24 HB2 GLU 24 5.666 30.452 -6.950 195 HB3 GLU 24 HB3 GLU 24 5.174 31.235 -8.424 196 HG2 GLU 24 HG2 GLU 24 7.445 31.606 -9.244 197 HG3 GLU 24 HG3 GLU 24 8.095 31.292 -7.634 198 H ASN 25 H ASN 25 4.369 33.839 -8.515 199 HA ASN 25 HA ASN 25 6.475 35.258 -9.872 200 HB2 ASN 25 HB2 ASN 25 5.072 34.065 -11.354 201 HB3 ASN 25 HB3 ASN 25 3.618 34.861 -10.686 202 HD21 ASN 25 HD21 ASN 25 6.527 35.416 -12.292 203 HD22 ASN 25 HD22 ASN 25 6.353 37.027 -12.941 204 H VAL 26 H VAL 26 3.759 36.100 -7.730 205 HA VAL 26 HA VAL 26 4.107 38.991 -7.716 206 HB VAL 26 HB VAL 26 3.217 37.331 -5.343 207 HG11 VAL 26 HG11 VAL 26 3.080 40.355 -6.050 208 HG12 VAL 26 HG12 VAL 26 3.863 39.590 -4.607 209 HG13 VAL 26 HG13 VAL 26 2.108 39.587 -4.823 210 HG21 VAL 26 HG21 VAL 26 1.722 37.076 -7.356 211 HG22 VAL 26 HG22 VAL 26 1.777 38.749 -7.700 212 HG23 VAL 26 HG23 VAL 26 0.955 38.151 -6.139 213 H LYS 27 H LYS 27 5.860 36.427 -5.872 214 HA LYS 27 HA LYS 27 7.607 38.082 -4.518 215 HB2 LYS 27 HB2 LYS 27 8.112 35.318 -5.436 216 HB3 LYS 27 HB3 LYS 27 9.203 36.272 -4.479 217 HG2 LYS 27 HG2 LYS 27 7.524 36.406 -2.608 218 HG3 LYS 27 HG3 LYS 27 6.387 35.467 -3.601 219 HD2 LYS 27 HD2 LYS 27 8.049 33.547 -3.690 220 HD3 LYS 27 HD3 LYS 27 9.110 34.580 -2.826 221 HE2 LYS 27 HE2 LYS 27 7.579 34.420 -0.650 222 HE3 LYS 27 HE3 LYS 27 6.360 33.663 -1.648 223 HZ1 LYS 27 HZ1 LYS 27 7.260 31.713 -1.516 224 HZ2 LYS 27 HZ2 LYS 27 8.116 32.171 -0.276 225 HZ3 LYS 27 HZ3 LYS 27 8.842 32.215 -1.770 226 H ALA 28 H ALA 28 7.819 36.774 -7.723 227 HA ALA 28 HA ALA 28 10.401 37.858 -8.332 228 HB1 ALA 28 HB1 ALA 28 9.443 36.056 -9.693 229 HB2 ALA 28 HB2 ALA 28 9.882 37.458 -10.698 230 HB3 ALA 28 HB3 ALA 28 8.140 37.222 -10.226 231 H LYS 29 H LYS 29 7.166 39.305 -8.884 232 HA LYS 29 HA LYS 29 7.897 41.943 -9.620 233 HB2 LYS 29 HB2 LYS 29 5.630 41.029 -8.013 234 HB3 LYS 29 HB3 LYS 29 5.910 42.645 -8.775 235 HG2 LYS 29 HG2 LYS 29 5.736 39.997 -10.371 236 HG3 LYS 29 HG3 LYS 29 4.361 41.027 -10.012 237 HD2 LYS 29 HD2 LYS 29 5.243 42.800 -11.183 238 HD3 LYS 29 HD3 LYS 29 6.805 41.945 -11.508 239 HE2 LYS 29 HE2 LYS 29 5.380 40.093 -12.752 240 HE3 LYS 29 HE3 LYS 29 4.015 41.268 -12.580 241 HZ1 LYS 29 HZ1 LYS 29 5.293 41.279 -14.590 242 HZ2 LYS 29 HZ2 LYS 29 6.486 42.169 -13.833 243 HZ3 LYS 29 HZ3 LYS 29 4.827 42.707 -13.949 244 H ILE 30 H ILE 30 7.691 40.728 -6.067 245 HA ILE 30 HA ILE 30 8.621 43.083 -5.046 246 HB ILE 30 HB ILE 30 8.828 40.229 -4.128 247 HG12 ILE 30 HG12 ILE 30 7.104 42.529 -3.065 248 HG13 ILE 30 HG13 ILE 30 6.493 41.651 -4.309 249 HG21 ILE 30 HG21 ILE 30 9.214 41.596 -1.901 250 HG22 ILE 30 HG22 ILE 30 9.738 42.928 -3.025 251 HG23 ILE 30 HG23 ILE 30 10.632 41.405 -2.947 252 HD11 ILE 30 HD11 ILE 30 6.913 40.690 -1.469 253 HD12 ILE 30 HD12 ILE 30 6.954 39.492 -2.790 254 HD13 ILE 30 HD13 ILE 30 5.523 40.539 -2.557 255 H GLN 31 H GLN 31 10.578 40.273 -6.301 256 HA GLN 31 HA GLN 31 13.080 41.400 -5.751 257 HB2 GLN 31 HB2 GLN 31 12.764 39.117 -6.493 258 HB3 GLN 31 HB3 GLN 31 12.235 39.613 -8.092 259 HG2 GLN 31 HG2 GLN 31 14.475 40.635 -8.368 260 HG3 GLN 31 HG3 GLN 31 14.983 40.037 -6.808 261 HE21 GLN 31 HE21 GLN 31 16.719 38.470 -7.560 262 HE22 GLN 31 HE22 GLN 31 16.296 37.165 -8.545 263 H ASP 32 H ASP 32 11.160 41.884 -8.722 264 HA ASP 32 HA ASP 32 12.863 43.756 -9.931 265 HB2 ASP 32 HB2 ASP 32 9.681 43.576 -9.956 266 HB3 ASP 32 HB3 ASP 32 10.599 44.848 -10.875 267 H LYS 33 H LYS 33 10.249 44.851 -7.801 268 HA LYS 33 HA LYS 33 10.904 47.564 -7.889 269 HB2 LYS 33 HB2 LYS 33 9.314 45.789 -5.954 270 HB3 LYS 33 HB3 LYS 33 9.186 47.478 -5.744 271 HG2 LYS 33 HG2 LYS 33 8.034 45.850 -8.002 272 HG3 LYS 33 HG3 LYS 33 7.263 46.788 -6.694 273 HD2 LYS 33 HD2 LYS 33 8.083 48.867 -7.773 274 HD3 LYS 33 HD3 LYS 33 8.740 47.872 -9.099 275 HE2 LYS 33 HE2 LYS 33 6.355 47.325 -9.582 276 HE3 LYS 33 HE3 LYS 33 5.799 48.271 -8.117 277 HZ1 LYS 33 HZ1 LYS 33 7.428 49.362 -10.307 278 HZ2 LYS 33 HZ2 LYS 33 6.475 50.298 -9.251 279 HZ3 LYS 33 HZ3 LYS 33 5.780 49.281 -10.438 280 H GLU 34 H GLU 34 11.504 45.065 -5.308 281 HA GLU 34 HA GLU 34 12.961 47.068 -3.844 282 HB2 GLU 34 HB2 GLU 34 12.019 44.210 -3.177 283 HB3 GLU 34 HB3 GLU 34 12.978 45.234 -2.127 284 HG2 GLU 34 HG2 GLU 34 10.367 46.379 -3.300 285 HG3 GLU 34 HG3 GLU 34 10.364 45.370 -1.851 286 H GLY 35 H GLY 35 14.124 44.678 -5.786 287 HA2 GLY 35 HA2 GLY 35 16.279 43.740 -6.199 288 HA3 GLY 35 HA3 GLY 35 16.875 44.812 -4.954 289 H ILE 36 H ILE 36 14.378 42.506 -4.118 290 HA ILE 36 HA ILE 36 16.267 41.102 -2.409 291 HB ILE 36 HB ILE 36 13.284 40.886 -2.247 292 HG12 ILE 36 HG12 ILE 36 14.889 42.245 -0.023 293 HG13 ILE 36 HG13 ILE 36 14.447 43.183 -1.449 294 HG21 ILE 36 HG21 ILE 36 15.755 40.084 -0.540 295 HG22 ILE 36 HG22 ILE 36 14.648 38.929 -1.309 296 HG23 ILE 36 HG23 ILE 36 14.039 39.876 0.054 297 HD11 ILE 36 HD11 ILE 36 12.686 43.285 0.422 298 HD12 ILE 36 HD12 ILE 36 12.249 41.624 -0.077 299 HD13 ILE 36 HD13 ILE 36 12.178 42.994 -1.245 300 HA PRO 37 HA PRO 37 15.750 37.527 -5.367 301 HB2 PRO 37 HB2 PRO 37 16.848 36.248 -2.785 302 HB3 PRO 37 HB3 PRO 37 17.085 35.617 -4.411 303 HG2 PRO 37 HG2 PRO 37 18.973 37.258 -3.229 304 HG3 PRO 37 HG3 PRO 37 18.545 37.684 -4.837 305 HD2 PRO 37 HD2 PRO 37 17.232 38.765 -2.162 306 HD3 PRO 37 HD3 PRO 37 17.885 39.817 -3.452 307 HA PRO 38 HA PRO 38 11.847 36.255 -3.715 308 HB2 PRO 38 HB2 PRO 38 12.155 33.675 -5.433 309 HB3 PRO 38 HB3 PRO 38 10.601 34.663 -5.131 310 HG2 PRO 38 HG2 PRO 38 12.133 34.956 -7.320 311 HG3 PRO 38 HG3 PRO 38 11.399 36.401 -6.579 312 HD2 PRO 38 HD2 PRO 38 14.278 35.387 -6.335 313 HD3 PRO 38 HD3 PRO 38 13.644 37.099 -6.410 314 H ASP 39 H ASP 39 14.137 33.854 -3.816 315 HA ASP 39 HA ASP 39 13.632 31.901 -2.043 316 HB2 ASP 39 HB2 ASP 39 16.434 33.188 -2.288 317 HB3 ASP 39 HB3 ASP 39 16.142 31.458 -1.811 318 H GLN 40 H GLN 40 14.721 35.115 -1.135 319 HA GLN 40 HA GLN 40 14.850 34.357 1.672 320 HB2 GLN 40 HB2 GLN 40 15.746 36.820 0.134 321 HB3 GLN 40 HB3 GLN 40 15.881 36.614 1.933 322 HG2 GLN 40 HG2 GLN 40 17.619 35.465 -0.197 323 HG3 GLN 40 HG3 GLN 40 18.025 35.896 1.505 324 HE21 GLN 40 HE21 GLN 40 17.584 34.321 3.177 325 HE22 GLN 40 HE22 GLN 40 17.351 32.655 2.829 326 H GLN 41 H GLN 41 12.269 35.058 -0.147 327 HA GLN 41 HA GLN 41 11.077 37.052 1.647 328 HB2 GLN 41 HB2 GLN 41 9.919 36.246 -1.119 329 HB3 GLN 41 HB3 GLN 41 9.435 37.361 0.110 330 HG2 GLN 41 HG2 GLN 41 11.098 38.922 -0.267 331 HG3 GLN 41 HG3 GLN 41 12.200 37.624 -1.048 332 HE21 GLN 41 HE21 GLN 41 12.143 38.826 -3.403 333 HE22 GLN 41 HE22 GLN 41 10.698 38.807 -4.207 334 H ARG 42 H ARG 42 9.319 36.320 3.002 335 HA ARG 42 HA ARG 42 7.700 34.029 2.152 336 HB2 ARG 42 HB2 ARG 42 8.445 33.144 3.824 337 HB3 ARG 42 HB3 ARG 42 9.008 34.546 4.706 338 HG2 ARG 42 HG2 ARG 42 6.481 34.888 5.388 339 HG3 ARG 42 HG3 ARG 42 6.237 33.231 4.512 340 HD2 ARG 42 HD2 ARG 42 8.113 33.764 6.983 341 HD3 ARG 42 HD3 ARG 42 6.432 33.130 7.109 342 HE ARG 42 HE ARG 42 7.216 31.356 5.593 343 HH11 ARG 42 HH11 ARG 42 9.801 32.758 7.688 344 HH12 ARG 42 HH12 ARG 42 10.465 31.095 7.727 345 HH21 ARG 42 HH21 ARG 42 8.481 29.617 5.672 346 HH22 ARG 42 HH22 ARG 42 9.964 29.703 6.475 347 H LEU 43 H LEU 43 5.531 34.573 2.025 348 HA LEU 43 HA LEU 43 4.864 37.409 2.604 349 HB2 LEU 43 HB2 LEU 43 3.575 35.536 0.607 350 HB3 LEU 43 HB3 LEU 43 3.041 37.237 0.807 351 HG LEU 43 HG LEU 43 5.678 36.055 -0.129 352 HD11 LEU 43 HD11 LEU 43 5.179 37.187 -2.376 353 HD12 LEU 43 HD12 LEU 43 3.716 37.946 -1.689 354 HD13 LEU 43 HD13 LEU 43 3.817 36.167 -1.805 355 HD21 LEU 43 HD21 LEU 43 6.412 38.111 1.039 356 HD22 LEU 43 HD22 LEU 43 5.108 38.970 0.321 357 HD23 LEU 43 HD23 LEU 43 6.457 38.335 -0.713 358 H ILE 44 H ILE 44 3.091 37.945 3.895 359 HA ILE 44 HA ILE 44 1.355 35.769 4.757 360 HB ILE 44 HB ILE 44 2.106 38.522 5.963 361 HG12 ILE 44 HG12 ILE 44 4.018 37.224 6.132 362 HG13 ILE 44 HG13 ILE 44 3.357 37.381 7.626 363 HG21 ILE 44 HG21 ILE 44 -0.074 37.936 6.796 364 HG22 ILE 44 HG22 ILE 44 1.011 37.637 8.018 365 HG23 ILE 44 HG23 ILE 44 0.501 36.215 7.044 366 HD11 ILE 44 HD11 ILE 44 2.436 34.866 7.400 367 HD12 ILE 44 HD12 ILE 44 4.156 35.045 7.430 368 HD13 ILE 44 HD13 ILE 44 3.281 34.895 5.849 369 H PHE 45 H PHE 45 -0.925 36.021 4.454 370 HA PHE 45 HA PHE 45 -2.129 38.725 4.416 371 HB2 PHE 45 HB2 PHE 45 -2.228 37.565 2.095 372 HB3 PHE 45 HB3 PHE 45 -3.167 36.241 2.874 373 HD1 PHE 45 HD1 PHE 45 -5.394 36.246 2.281 374 HD2 PHE 45 HD2 PHE 45 -3.187 39.894 2.657 375 HE1 PHE 45 HE1 PHE 45 -7.511 37.648 1.953 376 HE2 PHE 45 HE2 PHE 45 -5.269 41.265 2.027 377 HZ PHE 45 HZ PHE 45 -7.365 40.019 1.640 378 H ALA 46 H ALA 46 -3.568 39.018 5.882 379 HA ALA 46 HA ALA 46 -4.993 38.737 7.604 380 HB1 ALA 46 HB1 ALA 46 -6.485 37.705 5.752 381 HB2 ALA 46 HB2 ALA 46 -6.817 37.253 7.446 382 HB3 ALA 46 HB3 ALA 46 -5.932 36.131 6.385 383 H GLY 47 H GLY 47 -2.370 37.854 8.119 384 HA2 GLY 47 HA2 GLY 47 -1.089 36.719 9.773 385 HA3 GLY 47 HA3 GLY 47 -2.645 36.172 10.420 386 H LYS 48 H LYS 48 -2.078 35.302 7.117 387 HA LYS 48 HA LYS 48 -1.139 32.629 7.894 388 HB2 LYS 48 HB2 LYS 48 -3.273 33.410 5.782 389 HB3 LYS 48 HB3 LYS 48 -2.732 31.719 6.024 390 HG2 LYS 48 HG2 LYS 48 -3.655 31.916 8.462 391 HG3 LYS 48 HG3 LYS 48 -4.275 33.496 7.884 392 HD2 LYS 48 HD2 LYS 48 -5.788 32.633 6.268 393 HD3 LYS 48 HD3 LYS 48 -4.975 31.107 6.182 394 HE2 LYS 48 HE2 LYS 48 -7.025 30.536 7.330 395 HE3 LYS 48 HE3 LYS 48 -5.768 30.405 8.521 396 HZ1 LYS 48 HZ1 LYS 48 -7.658 32.622 8.143 397 HZ2 LYS 48 HZ2 LYS 48 -6.359 32.728 9.127 398 HZ3 LYS 48 HZ3 LYS 48 -7.646 31.715 9.497 399 H GLN 49 H GLN 49 0.647 31.808 6.877 400 HA GLN 49 HA GLN 49 1.718 33.516 4.841 401 HB2 GLN 49 HB2 GLN 49 3.726 32.037 4.803 402 HB3 GLN 49 HB3 GLN 49 3.147 32.137 6.441 403 HG2 GLN 49 HG2 GLN 49 2.347 29.955 6.499 404 HG3 GLN 49 HG3 GLN 49 2.187 29.754 4.777 405 HE21 GLN 49 HE21 GLN 49 4.824 30.633 7.105 406 HE22 GLN 49 HE22 GLN 49 5.836 29.273 6.512 407 H LEU 50 H LEU 50 2.367 32.950 2.575 408 HA LEU 50 HA LEU 50 0.364 31.160 1.232 409 HB2 LEU 50 HB2 LEU 50 1.789 33.579 0.193 410 HB3 LEU 50 HB3 LEU 50 0.484 32.704 -0.712 411 HG LEU 50 HG LEU 50 0.372 34.511 1.648 412 HD11 LEU 50 HD11 LEU 50 0.316 35.633 -0.678 413 HD12 LEU 50 HD12 LEU 50 -0.955 35.977 0.426 414 HD13 LEU 50 HD13 LEU 50 -1.322 34.795 -0.843 415 HD21 LEU 50 HD21 LEU 50 -2.056 33.033 0.677 416 HD22 LEU 50 HD22 LEU 50 -2.058 34.169 2.034 417 HD23 LEU 50 HD23 LEU 50 -1.264 32.655 2.172 418 H GLU 51 H GLU 51 0.740 29.489 0.236 419 HA GLU 51 HA GLU 51 3.430 28.566 -0.426 420 HB2 GLU 51 HB2 GLU 51 0.516 27.775 -0.862 421 HB3 GLU 51 HB3 GLU 51 1.890 26.915 -1.713 422 HG2 GLU 51 HG2 GLU 51 2.628 26.044 0.529 423 HG3 GLU 51 HG3 GLU 51 1.314 27.117 1.326 424 H ASP 52 H ASP 52 4.497 28.530 -2.202 425 HA ASP 52 HA ASP 52 4.355 30.704 -3.925 426 HB2 ASP 52 HB2 ASP 52 6.067 28.138 -4.265 427 HB3 ASP 52 HB3 ASP 52 6.282 29.752 -5.018 428 H GLY 53 H GLY 53 3.154 27.548 -4.305 429 HA2 GLY 53 HA2 GLY 53 3.035 27.523 -7.190 430 HA3 GLY 53 HA3 GLY 53 2.397 26.289 -6.101 431 H ARG 54 H ARG 54 0.974 28.872 -4.746 432 HA ARG 54 HA ARG 54 -1.595 28.201 -5.929 433 HB2 ARG 54 HB2 ARG 54 -0.750 29.915 -3.539 434 HB3 ARG 54 HB3 ARG 54 -2.390 29.218 -3.955 435 HG2 ARG 54 HG2 ARG 54 0.109 27.723 -3.057 436 HG3 ARG 54 HG3 ARG 54 -1.237 28.102 -2.031 437 HD2 ARG 54 HD2 ARG 54 -2.835 26.847 -3.617 438 HD3 ARG 54 HD3 ARG 54 -1.524 26.135 -4.477 439 HE ARG 54 HE ARG 54 -0.732 25.561 -1.861 440 HH11 ARG 54 HH11 ARG 54 -3.918 25.290 -3.055 441 HH12 ARG 54 HH12 ARG 54 -4.307 23.951 -1.988 442 HH21 ARG 54 HH21 ARG 54 -1.223 23.992 -0.421 443 HH22 ARG 54 HH22 ARG 54 -2.701 23.111 -0.576 444 H THR 55 H THR 55 -3.008 29.818 -6.978 445 HA THR 55 HA THR 55 -1.520 32.208 -7.745 446 HB THR 55 HB THR 55 -3.436 32.859 -9.037 447 HG1 THR 55 HG1 THR 55 -4.570 30.533 -8.123 448 HG21 THR 55 HG21 THR 55 -2.490 29.926 -9.296 449 HG22 THR 55 HG22 THR 55 -1.705 31.436 -9.923 450 HG23 THR 55 HG23 THR 55 -3.226 30.959 -10.623 451 H LEU 56 H LEU 56 -2.558 34.360 -7.672 452 HA LEU 56 HA LEU 56 -3.484 35.310 -5.318 453 HB2 LEU 56 HB2 LEU 56 -3.889 36.372 -8.082 454 HB3 LEU 56 HB3 LEU 56 -4.437 37.301 -6.720 455 HG LEU 56 HG LEU 56 -1.574 36.508 -7.155 456 HD11 LEU 56 HD11 LEU 56 -2.836 39.290 -7.254 457 HD12 LEU 56 HD12 LEU 56 -2.324 38.353 -8.708 458 HD13 LEU 56 HD13 LEU 56 -1.151 38.856 -7.480 459 HD21 LEU 56 HD21 LEU 56 -0.966 37.814 -5.159 460 HD22 LEU 56 HD22 LEU 56 -2.128 36.599 -4.734 461 HD23 LEU 56 HD23 LEU 56 -2.587 38.371 -4.889 462 H SER 57 H SER 57 -5.303 33.748 -7.832 463 HA SER 57 HA SER 57 -8.012 34.375 -6.651 464 HB2 SER 57 HB2 SER 57 -7.632 34.600 -9.142 465 HB3 SER 57 HB3 SER 57 -7.310 32.851 -9.181 466 HG SER 57 HG SER 57 -9.655 34.279 -8.874 467 H ASP 58 H ASP 58 -5.688 31.889 -6.282 468 HA ASP 58 HA ASP 58 -7.668 30.217 -5.115 469 HB2 ASP 58 HB2 ASP 58 -4.615 30.219 -5.244 470 HB3 ASP 58 HB3 ASP 58 -5.447 28.840 -4.464 471 H TYR 59 H TYR 59 -5.692 32.807 -3.912 472 HA TYR 59 HA TYR 59 -6.700 31.999 -1.205 473 HB2 TYR 59 HB2 TYR 59 -4.571 34.037 -2.242 474 HB3 TYR 59 HB3 TYR 59 -5.078 33.906 -0.524 475 HD1 TYR 59 HD1 TYR 59 -2.480 32.809 -2.629 476 HD2 TYR 59 HD2 TYR 59 -5.316 31.562 0.286 477 HE1 TYR 59 HE1 TYR 59 -0.747 31.187 -1.653 478 HE2 TYR 59 HE2 TYR 59 -3.734 29.731 1.042 479 HH TYR 59 HH TYR 59 -1.787 28.690 0.760 480 H ASN 60 H ASN 60 -8.100 33.281 -3.834 481 HA ASN 60 HA ASN 60 -9.245 34.870 -4.338 482 HB2 ASN 60 HB2 ASN 60 -10.123 34.594 -1.396 483 HB3 ASN 60 HB3 ASN 60 -11.125 35.315 -2.642 484 HD21 ASN 60 HD21 ASN 60 -11.669 32.671 -1.127 485 HD22 ASN 60 HD22 ASN 60 -11.596 31.466 -2.356 486 H ILE 61 H ILE 61 -7.083 36.172 -4.163 487 HA ILE 61 HA ILE 61 -7.166 38.599 -2.432 488 HB ILE 61 HB ILE 61 -5.182 37.907 -4.556 489 HG12 ILE 61 HG12 ILE 61 -4.378 36.121 -3.093 490 HG13 ILE 61 HG13 ILE 61 -3.524 37.489 -2.563 491 HG21 ILE 61 HG21 ILE 61 -5.108 39.706 -2.145 492 HG22 ILE 61 HG22 ILE 61 -5.453 40.339 -3.796 493 HG23 ILE 61 HG23 ILE 61 -3.893 39.605 -3.381 494 HD11 ILE 61 HD11 ILE 61 -4.498 36.025 -0.650 495 HD12 ILE 61 HD12 ILE 61 -6.039 36.998 -1.008 496 HD13 ILE 61 HD13 ILE 61 -4.508 37.729 -0.508 497 H GLN 62 H GLN 62 -8.889 40.051 -3.476 498 HA GLN 62 HA GLN 62 -8.772 40.648 -6.319 499 HB2 GLN 62 HB2 GLN 62 -10.456 41.965 -4.016 500 HB3 GLN 62 HB3 GLN 62 -10.861 42.027 -5.660 501 HG2 GLN 62 HG2 GLN 62 -11.027 39.395 -4.077 502 HG3 GLN 62 HG3 GLN 62 -12.453 40.434 -4.502 503 HE21 GLN 62 HE21 GLN 62 -11.465 40.898 -7.218 504 HE22 GLN 62 HE22 GLN 62 -12.573 39.672 -7.758 505 H LYS 63 H LYS 63 -8.633 43.093 -6.858 506 HA LYS 63 HA LYS 63 -6.258 44.042 -6.077 507 HB2 LYS 63 HB2 LYS 63 -6.681 46.089 -7.368 508 HB3 LYS 63 HB3 LYS 63 -7.524 44.718 -8.149 509 HG2 LYS 63 HG2 LYS 63 -8.850 46.853 -6.304 510 HG3 LYS 63 HG3 LYS 63 -8.685 46.946 -8.049 511 HD2 LYS 63 HD2 LYS 63 -9.839 44.713 -8.192 512 HD3 LYS 63 HD3 LYS 63 -10.128 44.624 -6.476 513 HE2 LYS 63 HE2 LYS 63 -12.131 45.416 -7.480 514 HE3 LYS 63 HE3 LYS 63 -11.563 46.643 -6.354 515 HZ1 LYS 63 HZ1 LYS 63 -11.413 46.640 -9.387 516 HZ2 LYS 63 HZ2 LYS 63 -10.766 47.878 -8.318 517 HZ3 LYS 63 HZ3 LYS 63 -12.368 47.673 -8.405 518 H GLU 64 H GLU 64 -5.685 46.114 -5.160 519 HA GLU 64 HA GLU 64 -5.459 47.411 -3.473 520 HB2 GLU 64 HB2 GLU 64 -8.523 47.368 -3.326 521 HB3 GLU 64 HB3 GLU 64 -7.580 48.205 -2.195 522 HG2 GLU 64 HG2 GLU 64 -6.484 49.496 -3.972 523 HG3 GLU 64 HG3 GLU 64 -7.166 48.373 -5.242 524 H SER 65 H SER 65 -6.016 44.268 -2.887 525 HA SER 65 HA SER 65 -6.013 44.307 -0.191 526 HB2 SER 65 HB2 SER 65 -5.049 41.976 -2.035 527 HB3 SER 65 HB3 SER 65 -5.414 41.873 -0.367 528 HG SER 65 HG SER 65 -7.152 42.356 -2.393 529 H THR 66 H THR 66 -4.534 44.014 1.358 530 HA THR 66 HA THR 66 -1.729 44.539 0.689 531 HB THR 66 HB THR 66 -2.774 44.504 3.501 532 HG1 THR 66 HG1 THR 66 -3.208 46.314 1.967 533 HG21 THR 66 HG21 THR 66 -0.147 45.536 2.232 534 HG22 THR 66 HG22 THR 66 -0.288 43.926 3.154 535 HG23 THR 66 HG23 THR 66 -0.475 45.421 3.954 536 H LEU 67 H LEU 67 -0.660 42.815 0.290 537 HA LEU 67 HA LEU 67 -0.741 40.371 1.864 538 HB2 LEU 67 HB2 LEU 67 0.958 40.873 -0.576 539 HB3 LEU 67 HB3 LEU 67 0.523 39.381 0.253 540 HG LEU 67 HG LEU 67 -1.279 40.870 -1.665 541 HD11 LEU 67 HD11 LEU 67 -0.545 38.142 -1.901 542 HD12 LEU 67 HD12 LEU 67 0.818 39.308 -2.186 543 HD13 LEU 67 HD13 LEU 67 -0.645 39.303 -3.200 544 HD21 LEU 67 HD21 LEU 67 -1.948 38.327 -0.074 545 HD22 LEU 67 HD22 LEU 67 -3.053 39.281 -1.097 546 HD23 LEU 67 HD23 LEU 67 -2.438 40.011 0.401 547 H HIS 68 H HIS 68 1.315 40.059 3.087 548 HA HIS 68 HA HIS 68 2.919 42.544 3.587 549 HB2 HIS 68 HB2 HIS 68 1.521 40.364 5.341 550 HB3 HIS 68 HB3 HIS 68 2.967 41.198 6.041 551 HD1 HIS 68 HD1 HIS 68 -0.445 42.127 4.896 552 HD2 HIS 68 HD2 HIS 68 2.632 43.424 7.322 553 HE1 HIS 68 HE1 HIS 68 -1.394 44.064 6.487 554 H LEU 69 H LEU 69 5.112 42.378 3.616 555 HA LEU 69 HA LEU 69 6.194 39.760 2.826 556 HB2 LEU 69 HB2 LEU 69 6.701 41.579 1.083 557 HB3 LEU 69 HB3 LEU 69 6.959 42.651 2.363 558 HG LEU 69 HG LEU 69 9.120 41.727 2.867 559 HD11 LEU 69 HD11 LEU 69 8.492 39.237 2.125 560 HD12 LEU 69 HD12 LEU 69 10.161 39.804 1.680 561 HD13 LEU 69 HD13 LEU 69 8.831 39.828 0.504 562 HD21 LEU 69 HD21 LEU 69 8.519 42.305 -0.159 563 HD22 LEU 69 HD22 LEU 69 10.143 42.464 0.588 564 HD23 LEU 69 HD23 LEU 69 8.735 43.496 1.060 565 H VAL 70 H VAL 70 7.529 38.596 4.091 566 HA VAL 70 HA VAL 70 8.915 39.862 6.411 567 HB VAL 70 HB VAL 70 7.737 37.010 5.947 568 HG11 VAL 70 HG11 VAL 70 9.986 36.992 7.159 569 HG12 VAL 70 HG12 VAL 70 8.708 36.528 8.202 570 HG13 VAL 70 HG13 VAL 70 9.428 38.206 8.336 571 HG21 VAL 70 HG21 VAL 70 6.730 39.277 7.663 572 HG22 VAL 70 HG22 VAL 70 6.284 37.623 8.017 573 HG23 VAL 70 HG23 VAL 70 5.925 38.269 6.414 574 H LEU 71 H LEU 71 10.989 39.713 6.300 575 HA LEU 71 HA LEU 71 12.155 38.111 4.249 576 HB2 LEU 71 HB2 LEU 71 13.508 40.223 6.033 577 HB3 LEU 71 HB3 LEU 71 14.323 39.240 4.740 578 HG LEU 71 HG LEU 71 11.888 41.078 4.541 579 HD11 LEU 71 HD11 LEU 71 14.810 41.803 4.033 580 HD12 LEU 71 HD12 LEU 71 13.654 42.689 5.052 581 HD13 LEU 71 HD13 LEU 71 13.563 42.786 3.288 582 HD21 LEU 71 HD21 LEU 71 12.000 39.577 2.625 583 HD22 LEU 71 HD22 LEU 71 13.705 40.136 2.290 584 HD23 LEU 71 HD23 LEU 71 12.301 41.196 2.072 585 H ARG 72 H ARG 72 13.632 36.482 4.446 586 HA ARG 72 HA ARG 72 13.329 35.010 7.011 587 HB2 ARG 72 HB2 ARG 72 14.322 34.028 4.204 588 HB3 ARG 72 HB3 ARG 72 13.983 33.071 5.654 589 HG2 ARG 72 HG2 ARG 72 11.408 33.654 5.392 590 HG3 ARG 72 HG3 ARG 72 11.853 34.612 4.065 591 HD2 ARG 72 HD2 ARG 72 10.865 32.297 3.367 592 HD3 ARG 72 HD3 ARG 72 12.381 32.794 2.627 593 HE ARG 72 HE ARG 72 12.203 30.991 5.019 594 HH11 ARG 72 HH11 ARG 72 13.977 31.585 1.934 595 HH12 ARG 72 HH12 ARG 72 14.453 29.911 2.091 596 HH21 ARG 72 HH21 ARG 72 13.002 29.305 5.011 597 HH22 ARG 72 HH22 ARG 72 14.382 28.862 3.951 598 H LEU 73 H LEU 73 15.104 34.393 8.185 599 HA LEU 73 HA LEU 73 17.805 35.046 6.939 600 HB2 LEU 73 HB2 LEU 73 17.073 36.766 8.299 601 HB3 LEU 73 HB3 LEU 73 16.688 35.667 9.710 602 HG LEU 73 HG LEU 73 19.014 35.121 10.049 603 HD11 LEU 73 HD11 LEU 73 19.574 37.471 7.941 604 HD12 LEU 73 HD12 LEU 73 20.216 35.789 8.022 605 HD13 LEU 73 HD13 LEU 73 20.591 36.966 9.222 606 HD21 LEU 73 HD21 LEU 73 19.485 37.356 11.103 607 HD22 LEU 73 HD22 LEU 73 17.825 36.855 11.472 608 HD23 LEU 73 HD23 LEU 73 18.172 38.085 10.236 609 H ARG 74 H ARG 74 15.850 33.112 8.890 610 HA ARG 74 HA ARG 74 18.077 31.447 9.574 611 HB2 ARG 74 HB2 ARG 74 15.190 31.289 10.465 612 HB3 ARG 74 HB3 ARG 74 16.427 30.221 11.201 613 HG2 ARG 74 HG2 ARG 74 16.087 33.208 11.577 614 HG3 ARG 74 HG3 ARG 74 15.757 32.001 12.792 615 HD2 ARG 74 HD2 ARG 74 18.172 31.580 13.121 616 HD3 ARG 74 HD3 ARG 74 18.573 32.306 11.569 617 HE ARG 74 HE ARG 74 17.372 34.271 13.215 618 HH11 ARG 74 HH11 ARG 74 20.493 32.646 12.497 619 HH12 ARG 74 HH12 ARG 74 21.236 34.050 13.201 620 HH21 ARG 74 HH21 ARG 74 18.515 35.836 14.111 621 HH22 ARG 74 HH22 ARG 74 20.223 35.641 14.130 622 H GLY 75 H GLY 75 17.411 28.929 9.543 623 HA2 GLY 75 HA2 GLY 75 16.412 28.174 6.913 624 HA3 GLY 75 HA3 GLY 75 16.573 27.102 8.291 625 H GLY 76 H GLY 76 14.334 27.536 6.363 626 HA2 GLY 76 HA2 GLY 76 12.112 26.833 6.778 627 HA3 GLY 76 HA3 GLY 76 12.405 27.246 8.482 Start of MODEL 2 1 H MET 1 HT1 MET 1 -4.661 42.901 -11.983 2 HA MET 1 HA MET 1 -6.175 45.309 -11.697 3 HB2 MET 1 HB2 MET 1 -6.941 44.512 -9.559 4 HB3 MET 1 HB3 MET 1 -7.756 43.738 -10.888 5 HG2 MET 1 HG2 MET 1 -7.311 41.875 -9.208 6 HG3 MET 1 HG3 MET 1 -6.401 41.729 -10.693 7 HE1 MET 1 HE1 MET 1 -6.243 40.480 -7.672 8 HE2 MET 1 HE2 MET 1 -4.446 40.370 -7.516 9 HE3 MET 1 HE3 MET 1 -5.271 39.906 -9.029 10 H GLN 2 H GLN 2 -5.459 45.741 -8.943 11 HA GLN 2 HA GLN 2 -2.576 45.411 -8.759 12 HB2 GLN 2 HB2 GLN 2 -2.308 47.624 -7.662 13 HB3 GLN 2 HB3 GLN 2 -2.503 47.601 -9.384 14 HG2 GLN 2 HG2 GLN 2 -4.829 48.253 -9.256 15 HG3 GLN 2 HG3 GLN 2 -4.957 48.141 -7.478 16 HE21 GLN 2 HE21 GLN 2 -4.889 50.405 -6.684 17 HE22 GLN 2 HE22 GLN 2 -3.800 51.539 -7.375 18 H ILE 3 H ILE 3 -1.646 44.941 -6.877 19 HA ILE 3 HA ILE 3 -3.322 45.047 -4.403 20 HB ILE 3 HB ILE 3 -2.074 42.967 -3.681 21 HG12 ILE 3 HG12 ILE 3 -1.128 42.738 -6.561 22 HG13 ILE 3 HG13 ILE 3 -0.051 43.129 -5.193 23 HG21 ILE 3 HG21 ILE 3 -3.706 41.490 -4.722 24 HG22 ILE 3 HG22 ILE 3 -3.541 42.373 -6.331 25 HG23 ILE 3 HG23 ILE 3 -4.378 43.082 -4.928 26 HD11 ILE 3 HD11 ILE 3 0.111 40.704 -5.785 27 HD12 ILE 3 HD12 ILE 3 -1.608 40.510 -5.753 28 HD13 ILE 3 HD13 ILE 3 -0.743 40.774 -4.200 29 H PHE 4 H PHE 4 -1.810 44.985 -2.470 30 HA PHE 4 HA PHE 4 0.491 46.832 -2.798 31 HB2 PHE 4 HB2 PHE 4 -1.733 46.857 -0.577 32 HB3 PHE 4 HB3 PHE 4 -0.372 47.972 -0.691 33 HD1 PHE 4 HD1 PHE 4 -0.262 48.649 -3.487 34 HD2 PHE 4 HD2 PHE 4 -3.648 47.928 -0.964 35 HE1 PHE 4 HE1 PHE 4 -1.597 50.405 -4.713 36 HE2 PHE 4 HE2 PHE 4 -5.084 49.304 -2.382 37 HZ PHE 4 HZ PHE 4 -4.063 50.644 -4.248 38 H VAL 5 H VAL 5 2.382 46.421 -1.865 39 HA VAL 5 HA VAL 5 2.650 44.215 0.016 40 HB VAL 5 HB VAL 5 4.658 45.319 -2.058 41 HG11 VAL 5 HG11 VAL 5 5.823 44.308 -0.123 42 HG12 VAL 5 HG12 VAL 5 5.708 43.121 -1.480 43 HG13 VAL 5 HG13 VAL 5 4.693 42.919 -0.136 44 HG21 VAL 5 HG21 VAL 5 4.078 42.977 -3.058 45 HG22 VAL 5 HG22 VAL 5 2.789 44.133 -3.254 46 HG23 VAL 5 HG23 VAL 5 2.800 42.802 -1.972 47 H LYS 6 H LYS 6 3.276 44.820 1.949 48 HA LYS 6 HA LYS 6 4.618 47.339 2.505 49 HB2 LYS 6 HB2 LYS 6 3.848 45.277 4.633 50 HB3 LYS 6 HB3 LYS 6 4.500 46.929 4.795 51 HG2 LYS 6 HG2 LYS 6 1.818 46.327 3.443 52 HG3 LYS 6 HG3 LYS 6 1.917 46.493 5.161 53 HD2 LYS 6 HD2 LYS 6 2.792 48.704 5.205 54 HD3 LYS 6 HD3 LYS 6 2.876 48.781 3.447 55 HE2 LYS 6 HE2 LYS 6 0.361 48.670 3.286 56 HE3 LYS 6 HE3 LYS 6 0.098 48.641 5.034 57 HZ1 LYS 6 HZ1 LYS 6 -0.308 50.644 4.208 58 HZ2 LYS 6 HZ2 LYS 6 1.187 50.787 3.377 59 HZ3 LYS 6 HZ3 LYS 6 1.149 50.753 5.132 60 H THR 7 H THR 7 6.697 47.632 2.638 61 HA THR 7 HA THR 7 8.256 45.436 1.773 62 HB THR 7 HB THR 7 10.084 46.793 1.208 63 HG1 THR 7 HG1 THR 7 10.178 48.915 2.016 64 HG21 THR 7 HG21 THR 7 8.088 47.066 -0.314 65 HG22 THR 7 HG22 THR 7 9.049 48.520 -0.202 66 HG23 THR 7 HG23 THR 7 7.417 48.358 0.545 67 H LEU 8 H LEU 8 10.972 45.790 2.849 68 HA LEU 8 HA LEU 8 10.619 44.532 5.319 69 HB2 LEU 8 HB2 LEU 8 13.125 45.838 3.974 70 HB3 LEU 8 HB3 LEU 8 13.203 44.676 5.245 71 HG LEU 8 HG LEU 8 12.126 43.998 2.429 72 HD11 LEU 8 HD11 LEU 8 14.052 42.705 2.141 73 HD12 LEU 8 HD12 LEU 8 14.712 42.954 3.758 74 HD13 LEU 8 HD13 LEU 8 14.669 44.312 2.572 75 HD21 LEU 8 HD21 LEU 8 11.055 42.631 4.175 76 HD22 LEU 8 HD22 LEU 8 12.698 42.177 4.827 77 HD23 LEU 8 HD23 LEU 8 12.251 41.611 3.301 78 H THR 9 H THR 9 10.896 47.927 4.193 79 HA THR 9 HA THR 9 11.597 48.843 6.790 80 HB THR 9 HB THR 9 10.698 50.332 4.202 81 HG1 THR 9 HG1 THR 9 12.795 50.119 3.592 82 HG21 THR 9 HG21 THR 9 11.767 52.224 4.896 83 HG22 THR 9 HG22 THR 9 12.563 51.621 6.350 84 HG23 THR 9 HG23 THR 9 10.814 51.856 6.316 85 H GLY 10 H GLY 10 8.648 48.502 5.079 86 HA2 GLY 10 HA2 GLY 10 6.573 48.415 6.009 87 HA3 GLY 10 HA3 GLY 10 6.740 49.932 6.976 88 H LYS 11 H LYS 11 8.086 50.246 3.894 89 HA LYS 11 HA LYS 11 6.263 52.164 3.339 90 HB2 LYS 11 HB2 LYS 11 8.471 51.109 1.491 91 HB3 LYS 11 HB3 LYS 11 7.595 52.577 1.140 92 HG2 LYS 11 HG2 LYS 11 9.458 52.186 3.587 93 HG3 LYS 11 HG3 LYS 11 9.841 53.130 2.209 94 HD2 LYS 11 HD2 LYS 11 7.687 53.751 4.308 95 HD3 LYS 11 HD3 LYS 11 9.162 54.665 3.901 96 HE2 LYS 11 HE2 LYS 11 8.421 55.367 1.817 97 HE3 LYS 11 HE3 LYS 11 6.952 54.362 1.937 98 HZ1 LYS 11 HZ1 LYS 11 6.477 56.718 2.429 99 HZ2 LYS 11 HZ2 LYS 11 7.736 56.555 3.624 100 HZ3 LYS 11 HZ3 LYS 11 6.288 55.759 3.797 101 H THR 12 H THR 12 5.025 52.181 0.932 102 HA THR 12 HA THR 12 3.917 49.446 0.615 103 HB THR 12 HB THR 12 2.320 51.843 0.041 104 HG1 THR 12 HG1 THR 12 3.061 51.634 2.192 105 HG21 THR 12 HG21 THR 12 1.736 48.779 0.594 106 HG22 THR 12 HG22 THR 12 1.571 49.715 -0.901 107 HG23 THR 12 HG23 THR 12 0.458 50.013 0.450 108 H ILE 13 H ILE 13 4.390 48.456 -1.185 109 HA ILE 13 HA ILE 13 4.838 50.108 -3.641 110 HB ILE 13 HB ILE 13 6.099 47.571 -2.762 111 HG12 ILE 13 HG12 ILE 13 7.020 49.387 -1.471 112 HG13 ILE 13 HG13 ILE 13 8.194 48.608 -2.551 113 HG21 ILE 13 HG21 ILE 13 6.596 49.356 -5.290 114 HG22 ILE 13 HG22 ILE 13 5.854 47.751 -5.297 115 HG23 ILE 13 HG23 ILE 13 7.568 47.886 -4.753 116 HD11 ILE 13 HD11 ILE 13 7.998 50.549 -4.095 117 HD12 ILE 13 HD12 ILE 13 8.566 51.062 -2.498 118 HD13 ILE 13 HD13 ILE 13 6.866 51.390 -2.991 119 H THR 14 H THR 14 3.795 49.393 -5.624 120 HA THR 14 HA THR 14 1.440 47.909 -4.916 121 HB THR 14 HB THR 14 1.855 50.132 -7.007 122 HG1 THR 14 HG1 THR 14 1.963 50.942 -4.871 123 HG21 THR 14 HG21 THR 14 0.081 48.940 -7.746 124 HG22 THR 14 HG22 THR 14 -0.570 50.259 -6.791 125 HG23 THR 14 HG23 THR 14 -0.604 48.669 -6.032 126 H LEU 15 H LEU 15 1.235 46.001 -6.193 127 HA LEU 15 HA LEU 15 3.017 45.752 -8.588 128 HB2 LEU 15 HB2 LEU 15 2.164 43.737 -6.658 129 HB3 LEU 15 HB3 LEU 15 3.186 43.518 -8.118 130 HG LEU 15 HG LEU 15 3.814 44.903 -5.442 131 HD11 LEU 15 HD11 LEU 15 3.909 42.563 -5.167 132 HD12 LEU 15 HD12 LEU 15 5.539 43.222 -5.101 133 HD13 LEU 15 HD13 LEU 15 5.032 42.414 -6.583 134 HD21 LEU 15 HD21 LEU 15 6.005 45.253 -5.894 135 HD22 LEU 15 HD22 LEU 15 5.207 46.240 -7.017 136 HD23 LEU 15 HD23 LEU 15 5.793 44.759 -7.689 137 H GLU 16 H GLU 16 1.901 45.440 -10.433 138 HA GLU 16 HA GLU 16 -0.911 45.283 -10.276 139 HB2 GLU 16 HB2 GLU 16 0.686 45.826 -12.866 140 HB3 GLU 16 HB3 GLU 16 -0.926 45.874 -12.504 141 HG2 GLU 16 HG2 GLU 16 -0.786 48.046 -12.187 142 HG3 GLU 16 HG3 GLU 16 -0.422 47.565 -10.519 143 H VAL 17 H VAL 17 -1.994 43.337 -11.010 144 HA VAL 17 HA VAL 17 -0.371 41.007 -12.049 145 HB VAL 17 HB VAL 17 -0.781 39.666 -10.112 146 HG11 VAL 17 HG11 VAL 17 1.509 41.053 -10.724 147 HG12 VAL 17 HG12 VAL 17 1.359 40.187 -9.176 148 HG13 VAL 17 HG13 VAL 17 1.084 41.880 -9.242 149 HG21 VAL 17 HG21 VAL 17 -0.874 40.566 -7.919 150 HG22 VAL 17 HG22 VAL 17 -2.363 41.016 -8.838 151 HG23 VAL 17 HG23 VAL 17 -1.282 42.306 -8.517 152 H GLU 18 H GLU 18 -1.633 39.049 -12.378 153 HA GLU 18 HA GLU 18 -4.434 39.578 -12.936 154 HB2 GLU 18 HB2 GLU 18 -2.530 37.266 -13.439 155 HB3 GLU 18 HB3 GLU 18 -4.251 37.170 -13.988 156 HG2 GLU 18 HG2 GLU 18 -4.034 39.034 -15.591 157 HG3 GLU 18 HG3 GLU 18 -2.435 39.455 -15.007 158 HA PRO 19 HA PRO 19 -5.012 36.727 -9.237 159 HB2 PRO 19 HB2 PRO 19 -7.329 35.748 -10.807 160 HB3 PRO 19 HB3 PRO 19 -7.350 36.315 -9.156 161 HG2 PRO 19 HG2 PRO 19 -8.452 37.883 -11.194 162 HG3 PRO 19 HG3 PRO 19 -7.527 38.551 -9.864 163 HD2 PRO 19 HD2 PRO 19 -6.426 37.772 -12.691 164 HD3 PRO 19 HD3 PRO 19 -6.334 39.302 -11.761 165 H SER 20 H SER 20 -4.674 35.457 -12.446 166 HA SER 20 HA SER 20 -4.164 32.877 -11.382 167 HB2 SER 20 HB2 SER 20 -3.397 32.377 -13.926 168 HB3 SER 20 HB3 SER 20 -5.055 33.006 -13.719 169 HG SER 20 HG SER 20 -2.773 34.404 -14.516 170 H ASP 21 H ASP 21 -2.283 35.727 -11.445 171 HA ASP 21 HA ASP 21 0.261 34.464 -11.953 172 HB2 ASP 21 HB2 ASP 21 -0.647 37.143 -10.719 173 HB3 ASP 21 HB3 ASP 21 1.075 36.554 -10.819 174 H THR 22 H THR 22 1.665 33.429 -10.636 175 HA THR 22 HA THR 22 0.779 32.676 -8.062 176 HB THR 22 HB THR 22 2.923 31.396 -7.860 177 HG1 THR 22 HG1 THR 22 4.073 31.220 -9.709 178 HG21 THR 22 HG21 THR 22 1.468 31.181 -10.578 179 HG22 THR 22 HG22 THR 22 0.953 30.555 -8.947 180 HG23 THR 22 HG23 THR 22 2.262 29.801 -9.855 181 H ILE 23 H ILE 23 1.858 32.709 -6.130 182 HA ILE 23 HA ILE 23 2.754 35.239 -5.184 183 HB ILE 23 HB ILE 23 3.281 32.505 -4.004 184 HG12 ILE 23 HG12 ILE 23 1.019 32.281 -4.322 185 HG13 ILE 23 HG13 ILE 23 1.253 32.760 -2.685 186 HG21 ILE 23 HG21 ILE 23 4.470 34.428 -2.871 187 HG22 ILE 23 HG22 ILE 23 3.207 33.797 -1.787 188 HG23 ILE 23 HG23 ILE 23 3.015 35.347 -2.746 189 HD11 ILE 23 HD11 ILE 23 -0.751 34.005 -3.691 190 HD12 ILE 23 HD12 ILE 23 0.369 34.806 -4.729 191 HD13 ILE 23 HD13 ILE 23 0.474 35.021 -2.911 192 H GLU 24 H GLU 24 4.684 32.320 -6.245 193 HA GLU 24 HA GLU 24 7.194 33.438 -5.930 194 HB2 GLU 24 HB2 GLU 24 6.680 31.107 -6.706 195 HB3 GLU 24 HB3 GLU 24 6.066 31.860 -8.207 196 HG2 GLU 24 HG2 GLU 24 8.526 32.715 -8.726 197 HG3 GLU 24 HG3 GLU 24 8.987 31.966 -7.220 198 H ASN 25 H ASN 25 4.874 34.315 -8.538 199 HA ASN 25 HA ASN 25 6.716 35.926 -9.976 200 HB2 ASN 25 HB2 ASN 25 4.696 34.810 -11.277 201 HB3 ASN 25 HB3 ASN 25 3.698 36.076 -10.463 202 HD21 ASN 25 HD21 ASN 25 6.693 35.973 -12.336 203 HD22 ASN 25 HD22 ASN 25 6.209 37.243 -13.374 204 H VAL 26 H VAL 26 4.074 36.540 -7.631 205 HA VAL 26 HA VAL 26 4.283 39.346 -7.638 206 HB VAL 26 HB VAL 26 3.655 37.458 -5.362 207 HG11 VAL 26 HG11 VAL 26 3.291 40.557 -5.804 208 HG12 VAL 26 HG12 VAL 26 4.231 39.787 -4.560 209 HG13 VAL 26 HG13 VAL 26 2.441 39.716 -4.494 210 HG21 VAL 26 HG21 VAL 26 2.119 37.116 -7.135 211 HG22 VAL 26 HG22 VAL 26 1.970 38.802 -7.664 212 HG23 VAL 26 HG23 VAL 26 1.243 38.248 -6.083 213 H LYS 27 H LYS 27 6.312 36.884 -5.858 214 HA LYS 27 HA LYS 27 7.936 38.839 -4.584 215 HB2 LYS 27 HB2 LYS 27 8.461 35.906 -5.030 216 HB3 LYS 27 HB3 LYS 27 9.516 36.972 -4.088 217 HG2 LYS 27 HG2 LYS 27 7.442 37.602 -2.838 218 HG3 LYS 27 HG3 LYS 27 6.601 36.234 -3.551 219 HD2 LYS 27 HD2 LYS 27 9.146 36.155 -1.966 220 HD3 LYS 27 HD3 LYS 27 7.542 35.595 -1.291 221 HE2 LYS 27 HE2 LYS 27 7.390 33.862 -3.030 222 HE3 LYS 27 HE3 LYS 27 9.105 34.180 -3.532 223 HZ1 LYS 27 HZ1 LYS 27 8.238 32.488 -1.603 224 HZ2 LYS 27 HZ2 LYS 27 8.869 33.773 -0.720 225 HZ3 LYS 27 HZ3 LYS 27 9.831 32.939 -1.873 226 H ALA 28 H ALA 28 8.178 37.297 -7.692 227 HA ALA 28 HA ALA 28 10.742 38.349 -8.242 228 HB1 ALA 28 HB1 ALA 28 8.605 37.655 -10.322 229 HB2 ALA 28 HB2 ALA 28 9.489 36.436 -9.435 230 HB3 ALA 28 HB3 ALA 28 10.308 37.553 -10.597 231 H LYS 29 H LYS 29 7.520 39.534 -8.898 232 HA LYS 29 HA LYS 29 8.241 41.920 -9.885 233 HB2 LYS 29 HB2 LYS 29 5.524 41.312 -8.433 234 HB3 LYS 29 HB3 LYS 29 5.958 42.764 -9.116 235 HG2 LYS 29 HG2 LYS 29 5.915 40.164 -10.634 236 HG3 LYS 29 HG3 LYS 29 4.571 41.254 -10.570 237 HD2 LYS 29 HD2 LYS 29 7.397 41.657 -11.790 238 HD3 LYS 29 HD3 LYS 29 5.883 41.451 -12.688 239 HE2 LYS 29 HE2 LYS 29 5.245 43.720 -11.672 240 HE3 LYS 29 HE3 LYS 29 6.806 43.747 -10.864 241 HZ1 LYS 29 HZ1 LYS 29 6.771 43.331 -13.853 242 HZ2 LYS 29 HZ2 LYS 29 7.925 44.107 -12.910 243 HZ3 LYS 29 HZ3 LYS 29 6.385 44.811 -13.227 244 H ILE 30 H ILE 30 7.796 41.354 -6.309 245 HA ILE 30 HA ILE 30 8.709 44.001 -5.824 246 HB ILE 30 HB ILE 30 7.590 42.686 -4.036 247 HG12 ILE 30 HG12 ILE 30 9.144 43.329 -2.141 248 HG13 ILE 30 HG13 ILE 30 10.292 43.964 -3.341 249 HG21 ILE 30 HG21 ILE 30 9.104 40.388 -4.359 250 HG22 ILE 30 HG22 ILE 30 8.849 41.058 -2.663 251 HG23 ILE 30 HG23 ILE 30 10.319 41.310 -3.536 252 HD11 ILE 30 HD11 ILE 30 8.531 45.495 -4.118 253 HD12 ILE 30 HD12 ILE 30 8.904 45.737 -2.426 254 HD13 ILE 30 HD13 ILE 30 7.419 44.813 -2.843 255 H GLN 31 H GLN 31 10.828 41.117 -6.348 256 HA GLN 31 HA GLN 31 13.235 42.431 -5.870 257 HB2 GLN 31 HB2 GLN 31 13.291 40.104 -6.049 258 HB3 GLN 31 HB3 GLN 31 12.121 40.160 -7.420 259 HG2 GLN 31 HG2 GLN 31 14.580 39.384 -8.012 260 HG3 GLN 31 HG3 GLN 31 14.046 40.784 -8.924 261 HE21 GLN 31 HE21 GLN 31 15.104 41.085 -5.495 262 HE22 GLN 31 HE22 GLN 31 16.668 41.702 -5.805 263 H ASP 32 H ASP 32 11.377 42.151 -8.921 264 HA ASP 32 HA ASP 32 12.921 43.954 -10.521 265 HB2 ASP 32 HB2 ASP 32 11.250 42.405 -11.386 266 HB3 ASP 32 HB3 ASP 32 9.949 43.302 -10.419 267 H LYS 33 H LYS 33 9.990 44.913 -8.420 268 HA LYS 33 HA LYS 33 10.502 47.641 -9.093 269 HB2 LYS 33 HB2 LYS 33 8.679 46.312 -7.086 270 HB3 LYS 33 HB3 LYS 33 8.810 47.923 -7.002 271 HG2 LYS 33 HG2 LYS 33 8.525 46.897 -9.828 272 HG3 LYS 33 HG3 LYS 33 7.445 45.994 -8.765 273 HD2 LYS 33 HD2 LYS 33 6.509 48.198 -7.934 274 HD3 LYS 33 HD3 LYS 33 7.584 48.994 -9.254 275 HE2 LYS 33 HE2 LYS 33 5.994 47.513 -10.845 276 HE3 LYS 33 HE3 LYS 33 5.119 47.240 -9.290 277 HZ1 LYS 33 HZ1 LYS 33 3.953 48.719 -10.392 278 HZ2 LYS 33 HZ2 LYS 33 5.248 49.777 -10.742 279 HZ3 LYS 33 HZ3 LYS 33 4.751 49.542 -9.157 280 H GLU 34 H GLU 34 11.729 45.848 -6.135 281 HA GLU 34 HA GLU 34 12.884 48.488 -5.177 282 HB2 GLU 34 HB2 GLU 34 11.664 46.181 -3.596 283 HB3 GLU 34 HB3 GLU 34 12.458 47.560 -2.855 284 HG2 GLU 34 HG2 GLU 34 9.778 47.743 -4.321 285 HG3 GLU 34 HG3 GLU 34 10.165 47.761 -2.588 286 H GLY 35 H GLY 35 13.741 45.497 -6.287 287 HA2 GLY 35 HA2 GLY 35 15.562 44.382 -6.320 288 HA3 GLY 35 HA3 GLY 35 16.404 45.679 -5.417 289 H ILE 36 H ILE 36 13.728 43.528 -4.351 290 HA ILE 36 HA ILE 36 15.270 42.870 -1.995 291 HB ILE 36 HB ILE 36 12.322 42.687 -2.443 292 HG12 ILE 36 HG12 ILE 36 14.021 44.140 -0.354 293 HG13 ILE 36 HG13 ILE 36 13.734 44.883 -1.913 294 HG21 ILE 36 HG21 ILE 36 12.999 40.657 -1.217 295 HG22 ILE 36 HG22 ILE 36 12.423 41.856 -0.003 296 HG23 ILE 36 HG23 ILE 36 14.170 41.630 -0.229 297 HD11 ILE 36 HD11 ILE 36 11.822 44.719 0.404 298 HD12 ILE 36 HD12 ILE 36 11.160 43.955 -1.050 299 HD13 ILE 36 HD13 ILE 36 11.713 45.617 -1.076 300 HA PRO 37 HA PRO 37 16.675 38.704 -3.238 301 HB2 PRO 37 HB2 PRO 37 16.521 38.443 -0.227 302 HB3 PRO 37 HB3 PRO 37 17.733 37.633 -1.292 303 HG2 PRO 37 HG2 PRO 37 18.278 39.917 -0.083 304 HG3 PRO 37 HG3 PRO 37 18.557 39.811 -1.840 305 HD2 PRO 37 HD2 PRO 37 16.139 41.175 -0.332 306 HD3 PRO 37 HD3 PRO 37 17.158 41.735 -1.705 307 HA PRO 38 HA PRO 38 12.421 37.746 -3.381 308 HB2 PRO 38 HB2 PRO 38 12.269 36.078 -5.515 309 HB3 PRO 38 HB3 PRO 38 12.455 37.781 -5.463 310 HG2 PRO 38 HG2 PRO 38 14.794 35.743 -5.869 311 HG3 PRO 38 HG3 PRO 38 14.380 37.226 -6.846 312 HD2 PRO 38 HD2 PRO 38 16.191 37.184 -4.725 313 HD3 PRO 38 HD3 PRO 38 15.262 38.615 -5.047 314 H ASP 39 H ASP 39 14.374 34.771 -3.424 315 HA ASP 39 HA ASP 39 12.273 33.274 -2.463 316 HB2 ASP 39 HB2 ASP 39 15.154 32.404 -2.446 317 HB3 ASP 39 HB3 ASP 39 13.836 31.204 -2.584 318 H GLN 40 H GLN 40 14.538 35.111 -0.832 319 HA GLN 40 HA GLN 40 14.515 33.723 1.600 320 HB2 GLN 40 HB2 GLN 40 15.269 36.669 1.125 321 HB3 GLN 40 HB3 GLN 40 15.756 35.761 2.476 322 HG2 GLN 40 HG2 GLN 40 16.591 35.737 -0.423 323 HG3 GLN 40 HG3 GLN 40 17.684 35.865 1.038 324 HE21 GLN 40 HE21 GLN 40 16.486 33.833 -1.454 325 HE22 GLN 40 HE22 GLN 40 17.598 32.540 -1.138 326 H GLN 41 H GLN 41 12.451 36.162 0.291 327 HA GLN 41 HA GLN 41 11.191 36.306 2.907 328 HB2 GLN 41 HB2 GLN 41 10.908 38.005 0.290 329 HB3 GLN 41 HB3 GLN 41 9.623 37.863 1.503 330 HG2 GLN 41 HG2 GLN 41 11.383 39.911 1.599 331 HG3 GLN 41 HG3 GLN 41 10.793 39.182 3.164 332 HE21 GLN 41 HE21 GLN 41 13.328 39.156 0.680 333 HE22 GLN 41 HE22 GLN 41 14.685 38.838 1.799 334 H ARG 42 H ARG 42 9.132 35.915 3.273 335 HA ARG 42 HA ARG 42 7.548 34.528 1.191 336 HB2 ARG 42 HB2 ARG 42 6.535 33.216 3.056 337 HB3 ARG 42 HB3 ARG 42 8.382 32.945 3.016 338 HG2 ARG 42 HG2 ARG 42 8.602 34.441 4.997 339 HG3 ARG 42 HG3 ARG 42 6.974 34.844 5.084 340 HD2 ARG 42 HD2 ARG 42 6.378 32.484 5.313 341 HD3 ARG 42 HD3 ARG 42 8.038 31.893 5.215 342 HE ARG 42 HE ARG 42 8.553 33.672 7.139 343 HH11 ARG 42 HH11 ARG 42 5.701 31.596 7.185 344 HH12 ARG 42 HH12 ARG 42 5.309 32.000 8.761 345 HH21 ARG 42 HH21 ARG 42 7.680 34.434 9.308 346 HH22 ARG 42 HH22 ARG 42 6.166 33.732 9.619 347 H LEU 43 H LEU 43 5.674 35.414 0.640 348 HA LEU 43 HA LEU 43 4.995 37.723 2.034 349 HB2 LEU 43 HB2 LEU 43 3.826 36.259 -0.375 350 HB3 LEU 43 HB3 LEU 43 2.881 37.487 0.387 351 HG LEU 43 HG LEU 43 5.640 37.969 -0.852 352 HD11 LEU 43 HD11 LEU 43 3.913 37.732 -2.524 353 HD12 LEU 43 HD12 LEU 43 4.125 39.519 -2.264 354 HD13 LEU 43 HD13 LEU 43 2.716 38.726 -1.518 355 HD21 LEU 43 HD21 LEU 43 5.271 39.379 1.214 356 HD22 LEU 43 HD22 LEU 43 3.604 39.892 0.722 357 HD23 LEU 43 HD23 LEU 43 5.033 40.393 -0.131 358 H ILE 44 H ILE 44 3.577 38.079 3.553 359 HA ILE 44 HA ILE 44 1.898 35.865 4.577 360 HB ILE 44 HB ILE 44 2.605 38.466 5.855 361 HG12 ILE 44 HG12 ILE 44 4.745 37.381 5.432 362 HG13 ILE 44 HG13 ILE 44 4.224 37.349 7.103 363 HG21 ILE 44 HG21 ILE 44 1.953 37.281 7.971 364 HG22 ILE 44 HG22 ILE 44 1.463 35.860 7.029 365 HG23 ILE 44 HG23 ILE 44 0.627 37.424 6.723 366 HD11 ILE 44 HD11 ILE 44 5.197 35.063 6.606 367 HD12 ILE 44 HD12 ILE 44 4.292 34.929 5.062 368 HD13 ILE 44 HD13 ILE 44 3.451 34.821 6.592 369 H PHE 45 H PHE 45 -0.432 36.242 4.624 370 HA PHE 45 HA PHE 45 -1.270 38.953 4.185 371 HB2 PHE 45 HB2 PHE 45 -1.800 38.018 1.876 372 HB3 PHE 45 HB3 PHE 45 -2.551 36.621 2.579 373 HD1 PHE 45 HD1 PHE 45 -2.649 40.326 2.813 374 HD2 PHE 45 HD2 PHE 45 -4.869 36.763 2.394 375 HE1 PHE 45 HE1 PHE 45 -4.784 41.719 2.623 376 HE2 PHE 45 HE2 PHE 45 -6.958 38.038 2.471 377 HZ PHE 45 HZ PHE 45 -6.994 40.565 2.476 378 H ALA 46 H ALA 46 -3.049 39.493 5.685 379 HA ALA 46 HA ALA 46 -4.208 39.331 7.431 380 HB1 ALA 46 HB1 ALA 46 -6.258 38.074 7.423 381 HB2 ALA 46 HB2 ALA 46 -5.615 36.977 6.189 382 HB3 ALA 46 HB3 ALA 46 -5.837 38.796 5.886 383 H GLY 47 H GLY 47 -1.594 37.765 7.937 384 HA2 GLY 47 HA2 GLY 47 -0.895 37.262 10.021 385 HA3 GLY 47 HA3 GLY 47 -2.467 36.386 10.310 386 H LYS 48 H LYS 48 -1.854 35.533 7.298 387 HA LYS 48 HA LYS 48 -0.425 33.140 7.994 388 HB2 LYS 48 HB2 LYS 48 -2.164 31.900 6.627 389 HB3 LYS 48 HB3 LYS 48 -2.721 32.552 8.160 390 HG2 LYS 48 HG2 LYS 48 -3.710 34.570 7.289 391 HG3 LYS 48 HG3 LYS 48 -3.305 34.090 5.617 392 HD2 LYS 48 HD2 LYS 48 -4.803 32.339 5.558 393 HD3 LYS 48 HD3 LYS 48 -4.783 32.055 7.334 394 HE2 LYS 48 HE2 LYS 48 -6.188 34.172 7.650 395 HE3 LYS 48 HE3 LYS 48 -6.356 34.486 5.907 396 HZ1 LYS 48 HZ1 LYS 48 -8.172 33.414 7.122 397 HZ2 LYS 48 HZ2 LYS 48 -7.224 31.999 7.113 398 HZ3 LYS 48 HZ3 LYS 48 -7.618 32.720 5.637 399 H GLN 49 H GLN 49 0.672 31.993 6.642 400 HA GLN 49 HA GLN 49 1.968 33.634 4.724 401 HB2 GLN 49 HB2 GLN 49 3.605 31.967 4.444 402 HB3 GLN 49 HB3 GLN 49 3.487 32.440 6.105 403 HG2 GLN 49 HG2 GLN 49 2.337 30.416 6.816 404 HG3 GLN 49 HG3 GLN 49 2.284 29.911 5.066 405 HE21 GLN 49 HE21 GLN 49 3.293 27.982 6.569 406 HE22 GLN 49 HE22 GLN 49 5.001 27.958 6.499 407 H LEU 50 H LEU 50 2.238 33.350 2.543 408 HA LEU 50 HA LEU 50 0.307 31.563 1.252 409 HB2 LEU 50 HB2 LEU 50 1.797 34.006 0.312 410 HB3 LEU 50 HB3 LEU 50 0.523 33.278 -0.680 411 HG LEU 50 HG LEU 50 0.200 34.816 1.972 412 HD11 LEU 50 HD11 LEU 50 0.604 36.117 -0.083 413 HD12 LEU 50 HD12 LEU 50 -1.053 36.355 0.636 414 HD13 LEU 50 HD13 LEU 50 -0.813 35.300 -0.832 415 HD21 LEU 50 HD21 LEU 50 -1.947 33.690 0.149 416 HD22 LEU 50 HD22 LEU 50 -2.169 34.444 1.745 417 HD23 LEU 50 HD23 LEU 50 -1.683 32.733 1.578 418 H GLU 51 H GLU 51 1.064 29.966 0.071 419 HA GLU 51 HA GLU 51 3.853 29.326 0.094 420 HB2 GLU 51 HB2 GLU 51 1.368 27.951 -0.802 421 HB3 GLU 51 HB3 GLU 51 2.906 27.281 -1.233 422 HG2 GLU 51 HG2 GLU 51 3.421 27.873 1.403 423 HG3 GLU 51 HG3 GLU 51 1.671 27.390 1.480 424 H ASP 52 H ASP 52 5.288 29.232 -1.773 425 HA ASP 52 HA ASP 52 5.139 31.268 -3.512 426 HB2 ASP 52 HB2 ASP 52 6.643 28.607 -3.711 427 HB3 ASP 52 HB3 ASP 52 7.180 30.038 -4.452 428 H GLY 53 H GLY 53 4.427 27.766 -4.311 429 HA2 GLY 53 HA2 GLY 53 4.186 28.265 -7.092 430 HA3 GLY 53 HA3 GLY 53 3.824 26.757 -6.277 431 H ARG 54 H ARG 54 1.935 28.734 -4.659 432 HA ARG 54 HA ARG 54 -0.487 28.081 -6.067 433 HB2 ARG 54 HB2 ARG 54 -0.339 29.257 -3.355 434 HB3 ARG 54 HB3 ARG 54 -1.835 28.756 -4.163 435 HG2 ARG 54 HG2 ARG 54 -0.836 26.353 -4.340 436 HG3 ARG 54 HG3 ARG 54 0.510 26.890 -3.361 437 HD2 ARG 54 HD2 ARG 54 -0.925 25.860 -1.872 438 HD3 ARG 54 HD3 ARG 54 -1.037 27.591 -1.557 439 HE ARG 54 HE ARG 54 -2.905 26.858 -3.603 440 HH11 ARG 54 HH11 ARG 54 -2.578 26.362 -0.154 441 HH12 ARG 54 HH12 ARG 54 -4.262 25.997 0.063 442 HH21 ARG 54 HH21 ARG 54 -5.131 26.633 -3.156 443 HH22 ARG 54 HH22 ARG 54 -5.738 26.363 -1.577 444 H THR 55 H THR 55 -2.427 29.652 -6.242 445 HA THR 55 HA THR 55 -1.155 31.971 -7.478 446 HB THR 55 HB THR 55 -2.799 32.219 -9.032 447 HG1 THR 55 HG1 THR 55 -4.676 30.856 -9.050 448 HG21 THR 55 HG21 THR 55 -1.347 30.274 -9.630 449 HG22 THR 55 HG22 THR 55 -3.002 30.230 -10.240 450 HG23 THR 55 HG23 THR 55 -2.551 29.163 -8.889 451 H LEU 56 H LEU 56 -2.633 33.989 -7.512 452 HA LEU 56 HA LEU 56 -3.384 34.694 -4.908 453 HB2 LEU 56 HB2 LEU 56 -3.888 36.013 -7.492 454 HB3 LEU 56 HB3 LEU 56 -4.278 36.687 -5.915 455 HG LEU 56 HG LEU 56 -1.504 35.591 -6.400 456 HD11 LEU 56 HD11 LEU 56 -2.189 36.773 -8.420 457 HD12 LEU 56 HD12 LEU 56 -0.929 37.761 -7.613 458 HD13 LEU 56 HD13 LEU 56 -2.680 38.114 -7.357 459 HD21 LEU 56 HD21 LEU 56 -2.049 36.430 -4.137 460 HD22 LEU 56 HD22 LEU 56 -2.367 38.056 -4.859 461 HD23 LEU 56 HD23 LEU 56 -0.803 37.401 -4.857 462 H SER 57 H SER 57 -5.162 33.478 -7.754 463 HA SER 57 HA SER 57 -7.804 33.774 -6.666 464 HB2 SER 57 HB2 SER 57 -7.325 33.804 -9.043 465 HB3 SER 57 HB3 SER 57 -7.006 32.084 -9.184 466 HG SER 57 HG SER 57 -9.494 33.243 -8.701 467 H ASP 58 H ASP 58 -5.434 31.189 -6.550 468 HA ASP 58 HA ASP 58 -6.953 29.061 -5.779 469 HB2 ASP 58 HB2 ASP 58 -4.320 29.357 -6.244 470 HB3 ASP 58 HB3 ASP 58 -4.143 29.587 -4.481 471 H TYR 59 H TYR 59 -5.465 31.525 -3.921 472 HA TYR 59 HA TYR 59 -6.599 30.813 -1.380 473 HB2 TYR 59 HB2 TYR 59 -4.909 33.220 -2.223 474 HB3 TYR 59 HB3 TYR 59 -5.539 32.939 -0.569 475 HD1 TYR 59 HD1 TYR 59 -2.802 32.358 -2.551 476 HD2 TYR 59 HD2 TYR 59 -5.221 30.405 0.287 477 HE1 TYR 59 HE1 TYR 59 -0.747 31.020 -1.816 478 HE2 TYR 59 HE2 TYR 59 -3.193 29.224 1.213 479 HH TYR 59 HH TYR 59 -0.928 29.105 1.140 480 H ASN 60 H ASN 60 -7.586 32.693 -3.995 481 HA ASN 60 HA ASN 60 -9.209 34.161 -4.467 482 HB2 ASN 60 HB2 ASN 60 -10.444 33.914 -1.696 483 HB3 ASN 60 HB3 ASN 60 -11.277 34.190 -3.196 484 HD21 ASN 60 HD21 ASN 60 -10.949 32.331 -4.820 485 HD22 ASN 60 HD22 ASN 60 -11.067 30.714 -4.152 486 H ILE 61 H ILE 61 -6.921 35.593 -3.903 487 HA ILE 61 HA ILE 61 -7.553 37.692 -1.953 488 HB ILE 61 HB ILE 61 -4.961 37.030 -3.334 489 HG12 ILE 61 HG12 ILE 61 -5.826 36.765 -0.400 490 HG13 ILE 61 HG13 ILE 61 -5.840 35.387 -1.419 491 HG21 ILE 61 HG21 ILE 61 -5.290 39.529 -2.938 492 HG22 ILE 61 HG22 ILE 61 -3.972 38.719 -1.972 493 HG23 ILE 61 HG23 ILE 61 -5.526 39.117 -1.177 494 HD11 ILE 61 HD11 ILE 61 -3.691 35.350 -0.344 495 HD12 ILE 61 HD12 ILE 61 -3.372 37.024 -0.764 496 HD13 ILE 61 HD13 ILE 61 -3.392 35.771 -2.042 497 H GLN 62 H GLN 62 -8.744 39.286 -2.556 498 HA GLN 62 HA GLN 62 -8.718 39.871 -5.287 499 HB2 GLN 62 HB2 GLN 62 -10.153 40.942 -2.772 500 HB3 GLN 62 HB3 GLN 62 -10.673 41.418 -4.395 501 HG2 GLN 62 HG2 GLN 62 -11.251 39.058 -2.884 502 HG3 GLN 62 HG3 GLN 62 -12.235 39.895 -4.120 503 HE21 GLN 62 HE21 GLN 62 -11.096 39.802 -6.257 504 HE22 GLN 62 HE22 GLN 62 -10.546 38.294 -6.950 505 H LYS 63 H LYS 63 -8.791 42.100 -6.225 506 HA LYS 63 HA LYS 63 -6.648 43.597 -5.765 507 HB2 LYS 63 HB2 LYS 63 -7.549 45.456 -7.022 508 HB3 LYS 63 HB3 LYS 63 -7.708 43.996 -7.784 509 HG2 LYS 63 HG2 LYS 63 -9.672 45.395 -7.963 510 HG3 LYS 63 HG3 LYS 63 -9.969 43.636 -7.716 511 HD2 LYS 63 HD2 LYS 63 -10.614 44.376 -5.282 512 HD3 LYS 63 HD3 LYS 63 -10.082 46.019 -5.775 513 HE2 LYS 63 HE2 LYS 63 -11.938 46.047 -7.540 514 HE3 LYS 63 HE3 LYS 63 -12.382 44.404 -7.006 515 HZ1 LYS 63 HZ1 LYS 63 -13.019 45.342 -4.868 516 HZ2 LYS 63 HZ2 LYS 63 -13.703 46.293 -6.076 517 HZ3 LYS 63 HZ3 LYS 63 -12.352 46.810 -5.263 518 H GLU 64 H GLU 64 -5.976 45.669 -5.121 519 HA GLU 64 HA GLU 64 -5.402 47.027 -3.565 520 HB2 GLU 64 HB2 GLU 64 -8.413 47.380 -3.169 521 HB3 GLU 64 HB3 GLU 64 -7.146 48.359 -2.435 522 HG2 GLU 64 HG2 GLU 64 -6.350 48.959 -4.736 523 HG3 GLU 64 HG3 GLU 64 -7.779 48.186 -5.385 524 H SER 65 H SER 65 -5.557 44.142 -2.675 525 HA SER 65 HA SER 65 -6.042 44.297 0.091 526 HB2 SER 65 HB2 SER 65 -4.707 42.116 -1.481 527 HB3 SER 65 HB3 SER 65 -5.096 42.004 0.289 528 HG SER 65 HG SER 65 -6.880 42.016 -1.764 529 H THR 66 H THR 66 -4.334 44.290 1.834 530 HA THR 66 HA THR 66 -1.749 44.945 0.830 531 HB THR 66 HB THR 66 -2.753 45.506 3.627 532 HG1 THR 66 HG1 THR 66 -3.460 46.871 1.970 533 HG21 THR 66 HG21 THR 66 -0.406 45.040 3.951 534 HG22 THR 66 HG22 THR 66 -0.680 46.821 3.680 535 HG23 THR 66 HG23 THR 66 -0.050 45.827 2.381 536 H LEU 67 H LEU 67 -0.131 43.543 0.668 537 HA LEU 67 HA LEU 67 -0.163 41.190 2.450 538 HB2 LEU 67 HB2 LEU 67 1.323 41.688 -0.268 539 HB3 LEU 67 HB3 LEU 67 1.239 40.206 0.721 540 HG LEU 67 HG LEU 67 -1.084 39.840 0.261 541 HD11 LEU 67 HD11 LEU 67 -2.399 41.180 -1.644 542 HD12 LEU 67 HD12 LEU 67 -1.079 42.334 -1.506 543 HD13 LEU 67 HD13 LEU 67 -2.099 41.943 -0.061 544 HD21 LEU 67 HD21 LEU 67 0.150 38.556 -1.248 545 HD22 LEU 67 HD22 LEU 67 0.831 39.965 -2.065 546 HD23 LEU 67 HD23 LEU 67 -0.894 39.581 -2.309 547 H HIS 68 H HIS 68 1.693 40.522 3.395 548 HA HIS 68 HA HIS 68 3.578 42.738 4.072 549 HB2 HIS 68 HB2 HIS 68 2.408 40.580 5.776 550 HB3 HIS 68 HB3 HIS 68 3.919 41.352 6.132 551 HD1 HIS 68 HD1 HIS 68 3.951 43.956 6.203 552 HD2 HIS 68 HD2 HIS 68 0.160 42.351 6.316 553 HE1 HIS 68 HE1 HIS 68 2.586 45.439 7.621 554 H LEU 69 H LEU 69 5.739 42.553 3.586 555 HA LEU 69 HA LEU 69 6.798 40.003 2.790 556 HB2 LEU 69 HB2 LEU 69 8.254 42.669 3.325 557 HB3 LEU 69 HB3 LEU 69 9.179 41.201 3.025 558 HG LEU 69 HG LEU 69 7.247 42.527 1.078 559 HD11 LEU 69 HD11 LEU 69 9.388 43.055 -0.132 560 HD12 LEU 69 HD12 LEU 69 10.277 41.994 0.946 561 HD13 LEU 69 HD13 LEU 69 9.699 43.493 1.616 562 HD21 LEU 69 HD21 LEU 69 8.893 40.673 -0.272 563 HD22 LEU 69 HD22 LEU 69 7.175 40.461 0.097 564 HD23 LEU 69 HD23 LEU 69 8.439 39.780 1.148 565 H VAL 70 H VAL 70 7.888 38.488 4.121 566 HA VAL 70 HA VAL 70 9.354 39.562 6.288 567 HB VAL 70 HB VAL 70 6.987 39.075 7.037 568 HG11 VAL 70 HG11 VAL 70 6.423 37.023 8.102 569 HG12 VAL 70 HG12 VAL 70 8.002 36.301 7.385 570 HG13 VAL 70 HG13 VAL 70 6.633 36.863 6.368 571 HG21 VAL 70 HG21 VAL 70 7.682 39.294 9.266 572 HG22 VAL 70 HG22 VAL 70 9.236 39.493 8.538 573 HG23 VAL 70 HG23 VAL 70 8.792 37.903 9.225 574 H LEU 71 H LEU 71 10.836 37.805 7.432 575 HA LEU 71 HA LEU 71 12.290 36.502 5.391 576 HB2 LEU 71 HB2 LEU 71 13.200 37.532 7.321 577 HB3 LEU 71 HB3 LEU 71 12.426 36.269 8.433 578 HG LEU 71 HG LEU 71 13.908 34.603 7.213 579 HD11 LEU 71 HD11 LEU 71 15.859 35.621 5.934 580 HD12 LEU 71 HD12 LEU 71 15.249 37.241 5.960 581 HD13 LEU 71 HD13 LEU 71 14.279 35.921 5.144 582 HD21 LEU 71 HD21 LEU 71 15.966 35.387 8.499 583 HD22 LEU 71 HD22 LEU 71 14.389 35.415 9.390 584 HD23 LEU 71 HD23 LEU 71 15.071 36.957 8.786 585 H ARG 72 H ARG 72 12.166 34.206 4.803 586 HA ARG 72 HA ARG 72 10.123 32.548 5.876 587 HB2 ARG 72 HB2 ARG 72 11.023 30.795 4.417 588 HB3 ARG 72 HB3 ARG 72 11.049 32.405 3.559 589 HG2 ARG 72 HG2 ARG 72 13.453 32.679 3.794 590 HG3 ARG 72 HG3 ARG 72 13.627 31.228 4.783 591 HD2 ARG 72 HD2 ARG 72 12.846 29.876 2.929 592 HD3 ARG 72 HD3 ARG 72 12.704 31.304 1.837 593 HE ARG 72 HE ARG 72 15.334 31.396 2.985 594 HH11 ARG 72 HH11 ARG 72 13.701 29.589 0.514 595 HH12 ARG 72 HH12 ARG 72 15.228 29.450 -0.331 596 HH21 ARG 72 HH21 ARG 72 17.166 31.050 1.907 597 HH22 ARG 72 HH22 ARG 72 17.058 30.313 0.370 598 H LEU 73 H LEU 73 10.253 30.337 6.815 599 HA LEU 73 HA LEU 73 11.922 30.589 9.108 600 HB2 LEU 73 HB2 LEU 73 10.111 28.339 8.079 601 HB3 LEU 73 HB3 LEU 73 10.606 28.455 9.761 602 HG LEU 73 HG LEU 73 8.770 30.532 8.366 603 HD11 LEU 73 HD11 LEU 73 7.939 28.059 8.778 604 HD12 LEU 73 HD12 LEU 73 6.927 29.409 9.488 605 HD13 LEU 73 HD13 LEU 73 8.054 28.559 10.519 606 HD21 LEU 73 HD21 LEU 73 10.079 31.576 10.229 607 HD22 LEU 73 HD22 LEU 73 9.606 30.167 11.270 608 HD23 LEU 73 HD23 LEU 73 8.440 31.341 10.715 609 H ARG 74 H ARG 74 13.638 29.233 9.765 610 HA ARG 74 HA ARG 74 14.668 27.434 7.729 611 HB2 ARG 74 HB2 ARG 74 16.193 29.635 9.137 612 HB3 ARG 74 HB3 ARG 74 16.923 28.377 8.074 613 HG2 ARG 74 HG2 ARG 74 14.910 30.404 7.133 614 HG3 ARG 74 HG3 ARG 74 16.646 30.574 7.057 615 HD2 ARG 74 HD2 ARG 74 16.563 29.910 4.901 616 HD3 ARG 74 HD3 ARG 74 16.854 28.385 5.818 617 HE ARG 74 HE ARG 74 14.042 28.801 5.641 618 HH11 ARG 74 HH11 ARG 74 16.786 27.352 3.944 619 HH12 ARG 74 HH12 ARG 74 15.755 26.525 2.887 620 HH21 ARG 74 HH21 ARG 74 12.812 27.565 4.015 621 HH22 ARG 74 HH22 ARG 74 13.791 26.521 3.083 622 H GLY 75 H GLY 75 16.312 25.881 8.577 623 HA2 GLY 75 HA2 GLY 75 15.867 24.848 11.202 624 HA3 GLY 75 HA3 GLY 75 17.152 24.280 10.068 625 H GLY 76 H GLY 76 18.018 23.975 12.353 626 HA2 GLY 76 HA2 GLY 76 20.164 25.768 12.512 627 HA3 GLY 76 HA3 GLY 76 19.130 26.046 13.941 Start of MODEL 3 1 H MET 1 HT1 MET 1 -4.753 42.561 -12.621 2 HA MET 1 HA MET 1 -5.056 44.715 -11.875 3 HB2 MET 1 HB2 MET 1 -6.874 43.794 -10.701 4 HB3 MET 1 HB3 MET 1 -6.186 42.298 -11.106 5 HG2 MET 1 HG2 MET 1 -5.913 43.679 -8.397 6 HG3 MET 1 HG3 MET 1 -7.016 42.449 -8.979 7 HE1 MET 1 HE1 MET 1 -6.536 41.056 -7.246 8 HE2 MET 1 HE2 MET 1 -5.506 42.041 -6.197 9 HE3 MET 1 HE3 MET 1 -5.148 40.336 -6.359 10 H GLN 2 H GLN 2 -4.738 46.241 -9.773 11 HA GLN 2 HA GLN 2 -2.119 46.016 -8.900 12 HB2 GLN 2 HB2 GLN 2 -3.135 48.228 -9.476 13 HB3 GLN 2 HB3 GLN 2 -4.403 48.010 -8.287 14 HG2 GLN 2 HG2 GLN 2 -3.015 48.507 -6.462 15 HG3 GLN 2 HG3 GLN 2 -1.512 48.477 -7.400 16 HE21 GLN 2 HE21 GLN 2 -0.993 50.870 -6.906 17 HE22 GLN 2 HE22 GLN 2 -2.144 52.029 -7.496 18 H ILE 3 H ILE 3 -1.261 45.692 -7.103 19 HA ILE 3 HA ILE 3 -2.687 45.475 -4.585 20 HB ILE 3 HB ILE 3 -1.427 43.297 -3.903 21 HG12 ILE 3 HG12 ILE 3 -0.586 43.005 -6.807 22 HG13 ILE 3 HG13 ILE 3 0.415 43.750 -5.516 23 HG21 ILE 3 HG21 ILE 3 -2.620 41.717 -5.333 24 HG22 ILE 3 HG22 ILE 3 -3.108 42.878 -6.496 25 HG23 ILE 3 HG23 ILE 3 -3.749 43.023 -4.824 26 HD11 ILE 3 HD11 ILE 3 -0.010 41.733 -4.147 27 HD12 ILE 3 HD12 ILE 3 0.888 41.265 -5.640 28 HD13 ILE 3 HD13 ILE 3 -0.780 40.885 -5.486 29 H PHE 4 H PHE 4 -1.255 45.350 -2.648 30 HA PHE 4 HA PHE 4 1.101 46.984 -3.026 31 HB2 PHE 4 HB2 PHE 4 -1.126 47.546 -0.820 32 HB3 PHE 4 HB3 PHE 4 0.482 48.341 -1.047 33 HD1 PHE 4 HD1 PHE 4 0.614 50.286 -2.272 34 HD2 PHE 4 HD2 PHE 4 -2.913 47.846 -2.582 35 HE1 PHE 4 HE1 PHE 4 -0.460 51.916 -3.869 36 HE2 PHE 4 HE2 PHE 4 -3.939 49.534 -4.135 37 HZ PHE 4 HZ PHE 4 -2.625 51.585 -4.708 38 H VAL 5 H VAL 5 2.846 46.335 -1.914 39 HA VAL 5 HA VAL 5 2.246 44.237 0.125 40 HB VAL 5 HB VAL 5 4.407 44.948 -1.849 41 HG11 VAL 5 HG11 VAL 5 4.753 43.132 0.546 42 HG12 VAL 5 HG12 VAL 5 5.768 44.645 0.196 43 HG13 VAL 5 HG13 VAL 5 5.962 43.136 -0.712 44 HG21 VAL 5 HG21 VAL 5 2.910 42.352 -1.374 45 HG22 VAL 5 HG22 VAL 5 4.058 42.708 -2.692 46 HG23 VAL 5 HG23 VAL 5 2.626 43.649 -2.632 47 H LYS 6 H LYS 6 2.590 45.055 2.040 48 HA LYS 6 HA LYS 6 4.343 47.226 2.701 49 HB2 LYS 6 HB2 LYS 6 2.554 45.442 4.292 50 HB3 LYS 6 HB3 LYS 6 3.760 46.428 5.147 51 HG2 LYS 6 HG2 LYS 6 2.791 48.439 4.448 52 HG3 LYS 6 HG3 LYS 6 1.670 47.732 3.275 53 HD2 LYS 6 HD2 LYS 6 0.363 46.734 5.403 54 HD3 LYS 6 HD3 LYS 6 1.579 47.479 6.439 55 HE2 LYS 6 HE2 LYS 6 0.831 49.699 5.244 56 HE3 LYS 6 HE3 LYS 6 -0.489 48.746 4.682 57 HZ1 LYS 6 HZ1 LYS 6 -1.103 49.781 6.860 58 HZ2 LYS 6 HZ2 LYS 6 0.257 49.123 7.460 59 HZ3 LYS 6 HZ3 LYS 6 -1.070 48.114 7.115 60 H THR 7 H THR 7 6.385 46.783 2.301 61 HA THR 7 HA THR 7 7.667 44.458 2.625 62 HB THR 7 HB THR 7 9.633 45.375 2.069 63 HG1 THR 7 HG1 THR 7 9.949 47.529 1.954 64 HG21 THR 7 HG21 THR 7 7.241 46.533 0.594 65 HG22 THR 7 HG22 THR 7 8.196 45.022 0.359 66 HG23 THR 7 HG23 THR 7 8.980 46.566 0.090 67 H LEU 8 H LEU 8 9.626 44.119 4.137 68 HA LEU 8 HA LEU 8 8.744 43.895 6.638 69 HB2 LEU 8 HB2 LEU 8 10.447 42.533 5.914 70 HB3 LEU 8 HB3 LEU 8 11.665 43.790 5.919 71 HG LEU 8 HG LEU 8 11.447 44.062 8.486 72 HD11 LEU 8 HD11 LEU 8 9.049 43.281 8.653 73 HD12 LEU 8 HD12 LEU 8 10.262 42.406 9.769 74 HD13 LEU 8 HD13 LEU 8 9.546 41.664 8.232 75 HD21 LEU 8 HD21 LEU 8 12.609 41.985 8.913 76 HD22 LEU 8 HD22 LEU 8 13.057 42.659 7.349 77 HD23 LEU 8 HD23 LEU 8 11.930 41.225 7.434 78 H THR 9 H THR 9 10.782 46.494 5.355 79 HA THR 9 HA THR 9 11.594 47.372 7.908 80 HB THR 9 HB THR 9 12.981 47.117 5.822 81 HG1 THR 9 HG1 THR 9 13.512 48.124 7.792 82 HG21 THR 9 HG21 THR 9 13.236 48.975 4.416 83 HG22 THR 9 HG22 THR 9 12.339 50.056 5.479 84 HG23 THR 9 HG23 THR 9 11.444 48.922 4.404 85 H GLY 10 H GLY 10 9.023 47.947 5.669 86 HA2 GLY 10 HA2 GLY 10 6.986 48.878 6.588 87 HA3 GLY 10 HA3 GLY 10 7.984 50.203 7.301 88 H LYS 11 H LYS 11 8.424 49.244 4.056 89 HA LYS 11 HA LYS 11 7.045 51.777 3.237 90 HB2 LYS 11 HB2 LYS 11 8.760 49.975 1.517 91 HB3 LYS 11 HB3 LYS 11 8.184 51.509 1.032 92 HG2 LYS 11 HG2 LYS 11 9.529 52.669 2.991 93 HG3 LYS 11 HG3 LYS 11 10.534 51.161 3.049 94 HD2 LYS 11 HD2 LYS 11 10.037 53.033 0.699 95 HD3 LYS 11 HD3 LYS 11 11.545 53.014 1.673 96 HE2 LYS 11 HE2 LYS 11 12.373 51.264 0.835 97 HE3 LYS 11 HE3 LYS 11 10.851 50.335 0.403 98 HZ1 LYS 11 HZ1 LYS 11 12.385 52.419 -0.951 99 HZ2 LYS 11 HZ2 LYS 11 10.775 52.131 -1.404 100 HZ3 LYS 11 HZ3 LYS 11 11.886 50.895 -1.514 101 H THR 12 H THR 12 5.355 51.931 2.007 102 HA THR 12 HA THR 12 3.903 49.447 1.279 103 HB THR 12 HB THR 12 2.941 52.383 1.063 104 HG1 THR 12 HG1 THR 12 3.256 51.225 3.190 105 HG21 THR 12 HG21 THR 12 1.583 49.681 0.743 106 HG22 THR 12 HG22 THR 12 1.963 50.772 -0.529 107 HG23 THR 12 HG23 THR 12 0.744 51.242 0.658 108 H ILE 13 H ILE 13 4.467 48.505 -0.522 109 HA ILE 13 HA ILE 13 5.673 50.166 -2.691 110 HB ILE 13 HB ILE 13 5.896 47.162 -2.189 111 HG12 ILE 13 HG12 ILE 13 7.050 48.559 -0.454 112 HG13 ILE 13 HG13 ILE 13 8.012 47.551 -1.578 113 HG21 ILE 13 HG21 ILE 13 7.795 47.747 -3.962 114 HG22 ILE 13 HG22 ILE 13 6.694 48.992 -4.518 115 HG23 ILE 13 HG23 ILE 13 6.155 47.319 -4.498 116 HD11 ILE 13 HD11 ILE 13 8.818 49.607 -2.683 117 HD12 ILE 13 HD12 ILE 13 9.146 49.639 -0.958 118 HD13 ILE 13 HD13 ILE 13 7.805 50.603 -1.540 119 H THR 14 H THR 14 4.127 50.501 -4.522 120 HA THR 14 HA THR 14 1.831 48.746 -4.743 121 HB THR 14 HB THR 14 1.216 51.147 -5.222 122 HG1 THR 14 HG1 THR 14 1.557 50.128 -7.768 123 HG21 THR 14 HG21 THR 14 3.553 51.084 -7.229 124 HG22 THR 14 HG22 THR 14 3.399 52.105 -5.821 125 HG23 THR 14 HG23 THR 14 2.227 52.257 -7.208 126 H LEU 15 H LEU 15 1.634 47.101 -6.307 127 HA LEU 15 HA LEU 15 3.249 47.083 -8.664 128 HB2 LEU 15 HB2 LEU 15 4.105 44.699 -8.414 129 HB3 LEU 15 HB3 LEU 15 4.762 45.934 -7.360 130 HG LEU 15 HG LEU 15 2.914 44.921 -5.692 131 HD11 LEU 15 HD11 LEU 15 3.073 42.355 -5.987 132 HD12 LEU 15 HD12 LEU 15 3.736 42.770 -7.580 133 HD13 LEU 15 HD13 LEU 15 2.072 43.287 -7.201 134 HD21 LEU 15 HD21 LEU 15 4.767 43.606 -4.777 135 HD22 LEU 15 HD22 LEU 15 5.348 45.213 -5.091 136 HD23 LEU 15 HD23 LEU 15 5.720 43.829 -6.284 137 H GLU 16 H GLU 16 2.508 45.196 -10.288 138 HA GLU 16 HA GLU 16 -0.415 44.721 -9.979 139 HB2 GLU 16 HB2 GLU 16 0.890 45.760 -12.445 140 HB3 GLU 16 HB3 GLU 16 -0.805 44.985 -12.302 141 HG2 GLU 16 HG2 GLU 16 -1.577 46.878 -11.084 142 HG3 GLU 16 HG3 GLU 16 0.085 47.616 -11.096 143 H VAL 17 H VAL 17 -0.915 42.816 -9.949 144 HA VAL 17 HA VAL 17 0.564 40.710 -11.394 145 HB VAL 17 HB VAL 17 -0.344 40.737 -8.576 146 HG11 VAL 17 HG11 VAL 17 0.291 38.168 -8.514 147 HG12 VAL 17 HG12 VAL 17 0.555 38.357 -10.246 148 HG13 VAL 17 HG13 VAL 17 -1.066 38.629 -9.644 149 HG21 VAL 17 HG21 VAL 17 1.972 39.996 -8.056 150 HG22 VAL 17 HG22 VAL 17 1.772 41.683 -8.663 151 HG23 VAL 17 HG23 VAL 17 2.418 40.421 -9.743 152 H GLU 18 H GLU 18 -0.491 39.536 -12.765 153 HA GLU 18 HA GLU 18 -3.162 39.535 -13.221 154 HB2 GLU 18 HB2 GLU 18 -0.933 37.787 -13.819 155 HB3 GLU 18 HB3 GLU 18 -2.583 37.298 -14.017 156 HG2 GLU 18 HG2 GLU 18 -2.961 39.457 -15.450 157 HG3 GLU 18 HG3 GLU 18 -1.349 39.996 -15.101 158 HA PRO 19 HA PRO 19 -4.010 37.171 -9.529 159 HB2 PRO 19 HB2 PRO 19 -6.995 37.014 -9.815 160 HB3 PRO 19 HB3 PRO 19 -6.041 38.278 -9.009 161 HG2 PRO 19 HG2 PRO 19 -7.082 38.059 -11.828 162 HG3 PRO 19 HG3 PRO 19 -7.165 39.489 -10.689 163 HD2 PRO 19 HD2 PRO 19 -5.333 39.240 -12.807 164 HD3 PRO 19 HD3 PRO 19 -4.954 40.052 -11.218 165 H SER 20 H SER 20 -4.415 36.142 -12.617 166 HA SER 20 HA SER 20 -5.115 33.357 -11.602 167 HB2 SER 20 HB2 SER 20 -4.781 32.825 -14.119 168 HB3 SER 20 HB3 SER 20 -6.253 33.439 -13.669 169 HG SER 20 HG SER 20 -4.226 34.860 -15.021 170 H ASP 21 H ASP 21 -2.386 35.211 -11.708 171 HA ASP 21 HA ASP 21 -0.643 33.188 -12.573 172 HB2 ASP 21 HB2 ASP 21 -0.070 35.901 -11.365 173 HB3 ASP 21 HB3 ASP 21 1.275 34.739 -11.486 174 H THR 22 H THR 22 1.192 32.588 -11.092 175 HA THR 22 HA THR 22 -0.002 31.361 -8.647 176 HB THR 22 HB THR 22 2.081 30.195 -8.199 177 HG1 THR 22 HG1 THR 22 3.171 31.901 -10.010 178 HG21 THR 22 HG21 THR 22 1.640 30.084 -11.184 179 HG22 THR 22 HG22 THR 22 0.504 29.475 -9.926 180 HG23 THR 22 HG23 THR 22 2.135 28.759 -10.084 181 H ILE 23 H ILE 23 0.771 31.930 -6.498 182 HA ILE 23 HA ILE 23 1.470 34.470 -5.838 183 HB ILE 23 HB ILE 23 2.109 31.763 -4.510 184 HG12 ILE 23 HG12 ILE 23 -0.182 31.642 -4.402 185 HG13 ILE 23 HG13 ILE 23 0.324 32.348 -2.864 186 HG21 ILE 23 HG21 ILE 23 2.404 34.595 -3.369 187 HG22 ILE 23 HG22 ILE 23 3.535 33.146 -3.273 188 HG23 ILE 23 HG23 ILE 23 1.985 33.289 -2.339 189 HD11 ILE 23 HD11 ILE 23 -1.611 33.573 -3.542 190 HD12 ILE 23 HD12 ILE 23 -0.992 33.898 -5.170 191 HD13 ILE 23 HD13 ILE 23 -0.193 34.666 -3.742 192 H GLU 24 H GLU 24 3.885 31.996 -6.718 193 HA GLU 24 HA GLU 24 6.240 33.342 -5.935 194 HB2 GLU 24 HB2 GLU 24 5.831 31.438 -8.206 195 HB3 GLU 24 HB3 GLU 24 7.331 32.428 -8.132 196 HG2 GLU 24 HG2 GLU 24 7.770 31.574 -5.798 197 HG3 GLU 24 HG3 GLU 24 6.181 30.693 -5.967 198 H ASN 25 H ASN 25 4.113 34.121 -8.745 199 HA ASN 25 HA ASN 25 5.689 35.943 -10.053 200 HB2 ASN 25 HB2 ASN 25 2.787 35.672 -9.871 201 HB3 ASN 25 HB3 ASN 25 3.681 36.661 -11.100 202 HD21 ASN 25 HD21 ASN 25 5.634 35.568 -12.206 203 HD22 ASN 25 HD22 ASN 25 5.364 33.940 -12.789 204 H VAL 26 H VAL 26 3.706 36.523 -7.075 205 HA VAL 26 HA VAL 26 3.767 39.378 -7.027 206 HB VAL 26 HB VAL 26 3.682 37.391 -4.837 207 HG11 VAL 26 HG11 VAL 26 3.956 39.607 -3.820 208 HG12 VAL 26 HG12 VAL 26 2.320 39.099 -3.624 209 HG13 VAL 26 HG13 VAL 26 2.796 40.300 -4.901 210 HG21 VAL 26 HG21 VAL 26 1.357 37.030 -4.986 211 HG22 VAL 26 HG22 VAL 26 1.825 37.126 -6.741 212 HG23 VAL 26 HG23 VAL 26 1.053 38.495 -5.932 213 H LYS 27 H LYS 27 5.762 36.707 -5.629 214 HA LYS 27 HA LYS 27 7.696 38.310 -4.377 215 HB2 LYS 27 HB2 LYS 27 8.009 35.539 -5.500 216 HB3 LYS 27 HB3 LYS 27 9.219 36.276 -4.683 217 HG2 LYS 27 HG2 LYS 27 7.892 36.294 -2.619 218 HG3 LYS 27 HG3 LYS 27 6.456 35.609 -3.323 219 HD2 LYS 27 HD2 LYS 27 7.710 33.619 -4.125 220 HD3 LYS 27 HD3 LYS 27 9.180 34.247 -3.466 221 HE2 LYS 27 HE2 LYS 27 8.163 34.428 -1.161 222 HE3 LYS 27 HE3 LYS 27 6.712 33.612 -1.837 223 HZ1 LYS 27 HZ1 LYS 27 9.180 32.320 -0.938 224 HZ2 LYS 27 HZ2 LYS 27 8.878 32.089 -2.545 225 HZ3 LYS 27 HZ3 LYS 27 7.663 31.751 -1.393 226 H ALA 28 H ALA 28 7.765 37.105 -7.749 227 HA ALA 28 HA ALA 28 10.279 38.029 -8.363 228 HB1 ALA 28 HB1 ALA 28 9.452 36.551 -9.826 229 HB2 ALA 28 HB2 ALA 28 9.355 38.056 -10.793 230 HB3 ALA 28 HB3 ALA 28 7.909 37.364 -10.149 231 H LYS 29 H LYS 29 7.195 39.750 -8.217 232 HA LYS 29 HA LYS 29 8.024 42.247 -9.454 233 HB2 LYS 29 HB2 LYS 29 5.612 41.590 -7.728 234 HB3 LYS 29 HB3 LYS 29 5.920 43.216 -8.355 235 HG2 LYS 29 HG2 LYS 29 5.709 40.958 -10.374 236 HG3 LYS 29 HG3 LYS 29 4.247 41.755 -9.679 237 HD2 LYS 29 HD2 LYS 29 5.026 43.929 -10.581 238 HD3 LYS 29 HD3 LYS 29 6.522 43.284 -10.901 239 HE2 LYS 29 HE2 LYS 29 5.905 41.982 -12.774 240 HE3 LYS 29 HE3 LYS 29 4.145 41.937 -12.398 241 HZ1 LYS 29 HZ1 LYS 29 5.915 44.050 -13.411 242 HZ2 LYS 29 HZ2 LYS 29 4.402 44.501 -12.901 243 HZ3 LYS 29 HZ3 LYS 29 4.646 43.317 -14.109 244 H ILE 30 H ILE 30 7.660 41.241 -5.973 245 HA ILE 30 HA ILE 30 8.770 43.670 -5.031 246 HB ILE 30 HB ILE 30 9.118 41.059 -3.768 247 HG12 ILE 30 HG12 ILE 30 6.863 43.058 -3.283 248 HG13 ILE 30 HG13 ILE 30 6.621 41.762 -4.485 249 HG21 ILE 30 HG21 ILE 30 8.830 42.605 -1.658 250 HG22 ILE 30 HG22 ILE 30 9.055 43.994 -2.709 251 HG23 ILE 30 HG23 ILE 30 10.412 42.825 -2.544 252 HD11 ILE 30 HD11 ILE 30 6.961 41.199 -1.476 253 HD12 ILE 30 HD12 ILE 30 6.837 40.050 -2.773 254 HD13 ILE 30 HD13 ILE 30 5.467 41.196 -2.439 255 H GLN 31 H GLN 31 10.502 40.851 -6.314 256 HA GLN 31 HA GLN 31 13.095 41.735 -5.563 257 HB2 GLN 31 HB2 GLN 31 12.557 39.386 -6.013 258 HB3 GLN 31 HB3 GLN 31 11.836 39.871 -7.532 259 HG2 GLN 31 HG2 GLN 31 13.975 38.533 -7.618 260 HG3 GLN 31 HG3 GLN 31 13.957 40.024 -8.579 261 HE21 GLN 31 HE21 GLN 31 15.161 41.721 -8.114 262 HE22 GLN 31 HE22 GLN 31 16.630 41.569 -7.187 263 H ASP 32 H ASP 32 11.232 42.322 -8.655 264 HA ASP 32 HA ASP 32 13.083 43.957 -9.785 265 HB2 ASP 32 HB2 ASP 32 10.993 42.809 -10.786 266 HB3 ASP 32 HB3 ASP 32 10.028 44.063 -10.084 267 H LYS 33 H LYS 33 10.316 44.900 -8.031 268 HA LYS 33 HA LYS 33 10.598 47.670 -7.855 269 HB2 LYS 33 HB2 LYS 33 9.445 45.835 -5.755 270 HB3 LYS 33 HB3 LYS 33 9.419 47.554 -5.786 271 HG2 LYS 33 HG2 LYS 33 8.236 45.905 -8.112 272 HG3 LYS 33 HG3 LYS 33 7.347 46.315 -6.657 273 HD2 LYS 33 HD2 LYS 33 6.585 47.997 -8.087 274 HD3 LYS 33 HD3 LYS 33 7.886 48.740 -7.047 275 HE2 LYS 33 HE2 LYS 33 9.395 48.333 -9.199 276 HE3 LYS 33 HE3 LYS 33 7.883 47.776 -9.952 277 HZ1 LYS 33 HZ1 LYS 33 8.276 50.051 -10.534 278 HZ2 LYS 33 HZ2 LYS 33 8.397 50.513 -8.899 279 HZ3 LYS 33 HZ3 LYS 33 6.949 49.813 -9.486 280 H GLU 34 H GLU 34 11.842 45.303 -5.517 281 HA GLU 34 HA GLU 34 13.343 47.491 -4.102 282 HB2 GLU 34 HB2 GLU 34 11.734 45.138 -3.155 283 HB3 GLU 34 HB3 GLU 34 12.862 45.959 -2.142 284 HG2 GLU 34 HG2 GLU 34 10.587 47.491 -3.538 285 HG3 GLU 34 HG3 GLU 34 10.375 46.865 -1.950 286 H GLY 35 H GLY 35 14.119 44.649 -5.787 287 HA2 GLY 35 HA2 GLY 35 16.131 43.668 -5.988 288 HA3 GLY 35 HA3 GLY 35 16.866 44.837 -4.887 289 H ILE 36 H ILE 36 14.251 43.050 -3.678 290 HA ILE 36 HA ILE 36 15.834 41.692 -1.805 291 HB ILE 36 HB ILE 36 12.822 41.597 -2.199 292 HG12 ILE 36 HG12 ILE 36 14.625 43.550 -0.742 293 HG13 ILE 36 HG13 ILE 36 13.384 43.861 -1.959 294 HG21 ILE 36 HG21 ILE 36 14.465 40.886 0.350 295 HG22 ILE 36 HG22 ILE 36 13.689 39.746 -0.762 296 HG23 ILE 36 HG23 ILE 36 12.721 40.863 0.280 297 HD11 ILE 36 HD11 ILE 36 13.204 43.204 0.904 298 HD12 ILE 36 HD12 ILE 36 11.722 43.144 -0.157 299 HD13 ILE 36 HD13 ILE 36 12.483 44.694 0.110 300 HA PRO 37 HA PRO 37 15.978 37.985 -4.270 301 HB2 PRO 37 HB2 PRO 37 16.836 36.921 -1.494 302 HB3 PRO 37 HB3 PRO 37 17.423 36.321 -3.173 303 HG2 PRO 37 HG2 PRO 37 18.805 38.209 -1.637 304 HG3 PRO 37 HG3 PRO 37 18.571 38.531 -3.428 305 HD2 PRO 37 HD2 PRO 37 17.111 40.051 -1.250 306 HD3 PRO 37 HD3 PRO 37 17.640 40.294 -2.931 307 HA PRO 38 HA PRO 38 11.972 36.716 -3.115 308 HB2 PRO 38 HB2 PRO 38 11.149 34.653 -4.846 309 HB3 PRO 38 HB3 PRO 38 11.412 36.410 -5.262 310 HG2 PRO 38 HG2 PRO 38 13.504 34.174 -5.757 311 HG3 PRO 38 HG3 PRO 38 12.955 35.384 -6.869 312 HD2 PRO 38 HD2 PRO 38 15.205 35.633 -5.358 313 HD3 PRO 38 HD3 PRO 38 14.232 37.082 -5.847 314 H ASP 39 H ASP 39 14.318 34.117 -2.911 315 HA ASP 39 HA ASP 39 12.556 32.044 -2.183 316 HB2 ASP 39 HB2 ASP 39 14.719 30.944 -1.702 317 HB3 ASP 39 HB3 ASP 39 14.585 31.714 -3.312 318 H GLN 40 H GLN 40 14.196 34.429 -0.236 319 HA GLN 40 HA GLN 40 13.743 33.192 2.312 320 HB2 GLN 40 HB2 GLN 40 14.685 35.392 3.144 321 HB3 GLN 40 HB3 GLN 40 15.590 34.258 2.160 322 HG2 GLN 40 HG2 GLN 40 15.553 35.787 0.179 323 HG3 GLN 40 HG3 GLN 40 14.229 36.756 0.849 324 HE21 GLN 40 HE21 GLN 40 14.920 37.928 3.083 325 HE22 GLN 40 HE22 GLN 40 16.477 38.603 3.083 326 H GLN 41 H GLN 41 11.773 34.922 0.169 327 HA GLN 41 HA GLN 41 10.574 36.565 2.124 328 HB2 GLN 41 HB2 GLN 41 9.653 36.084 -0.722 329 HB3 GLN 41 HB3 GLN 41 8.956 37.262 0.241 330 HG2 GLN 41 HG2 GLN 41 11.371 38.469 0.206 331 HG3 GLN 41 HG3 GLN 41 11.816 37.112 -0.840 332 HE21 GLN 41 HE21 GLN 41 12.317 38.694 -2.524 333 HE22 GLN 41 HE22 GLN 41 11.048 39.551 -3.316 334 H ARG 42 H ARG 42 8.677 36.381 3.180 335 HA ARG 42 HA ARG 42 6.962 34.107 2.353 336 HB2 ARG 42 HB2 ARG 42 7.737 34.926 5.152 337 HB3 ARG 42 HB3 ARG 42 6.217 34.044 4.938 338 HG2 ARG 42 HG2 ARG 42 8.898 33.092 4.192 339 HG3 ARG 42 HG3 ARG 42 8.104 32.840 5.799 340 HD2 ARG 42 HD2 ARG 42 6.237 31.533 4.587 341 HD3 ARG 42 HD3 ARG 42 7.144 31.793 3.097 342 HE ARG 42 HE ARG 42 8.693 30.069 3.598 343 HH11 ARG 42 HH11 ARG 42 6.716 30.711 6.450 344 HH12 ARG 42 HH12 ARG 42 7.382 29.260 7.246 345 HH21 ARG 42 HH21 ARG 42 9.661 28.583 4.880 346 HH22 ARG 42 HH22 ARG 42 8.926 28.127 6.384 347 H LEU 43 H LEU 43 5.060 34.785 1.564 348 HA LEU 43 HA LEU 43 4.284 37.501 2.178 349 HB2 LEU 43 HB2 LEU 43 3.336 35.393 0.091 350 HB3 LEU 43 HB3 LEU 43 2.683 37.058 0.215 351 HG LEU 43 HG LEU 43 5.437 36.062 -0.730 352 HD11 LEU 43 HD11 LEU 43 3.579 35.873 -2.277 353 HD12 LEU 43 HD12 LEU 43 4.562 37.217 -2.810 354 HD13 LEU 43 HD13 LEU 43 2.979 37.478 -1.894 355 HD21 LEU 43 HD21 LEU 43 5.785 38.526 -1.259 356 HD22 LEU 43 HD22 LEU 43 5.907 38.082 0.486 357 HD23 LEU 43 HD23 LEU 43 4.448 38.938 -0.135 358 H ILE 44 H ILE 44 2.496 38.071 3.211 359 HA ILE 44 HA ILE 44 0.818 35.923 4.211 360 HB ILE 44 HB ILE 44 1.068 38.312 5.968 361 HG12 ILE 44 HG12 ILE 44 3.338 36.236 5.666 362 HG13 ILE 44 HG13 ILE 44 3.524 37.928 5.236 363 HG21 ILE 44 HG21 ILE 44 -0.404 36.387 6.472 364 HG22 ILE 44 HG22 ILE 44 0.987 36.446 7.569 365 HG23 ILE 44 HG23 ILE 44 0.985 35.229 6.304 366 HD11 ILE 44 HD11 ILE 44 4.332 37.866 7.297 367 HD12 ILE 44 HD12 ILE 44 3.006 36.901 8.028 368 HD13 ILE 44 HD13 ILE 44 2.837 38.654 7.704 369 H PHE 45 H PHE 45 -1.223 36.086 3.597 370 HA PHE 45 HA PHE 45 -2.488 38.685 3.938 371 HB2 PHE 45 HB2 PHE 45 -2.348 37.936 1.357 372 HB3 PHE 45 HB3 PHE 45 -3.502 36.627 1.812 373 HD1 PHE 45 HD1 PHE 45 -3.348 40.470 1.772 374 HD2 PHE 45 HD2 PHE 45 -5.671 36.857 2.431 375 HE1 PHE 45 HE1 PHE 45 -5.400 41.792 1.879 376 HE2 PHE 45 HE2 PHE 45 -7.743 38.255 2.319 377 HZ PHE 45 HZ PHE 45 -7.620 40.675 2.031 378 H ALA 46 H ALA 46 -4.204 38.544 5.284 379 HA ALA 46 HA ALA 46 -5.215 37.764 7.103 380 HB1 ALA 46 HB1 ALA 46 -7.180 36.574 6.527 381 HB2 ALA 46 HB2 ALA 46 -6.474 35.956 5.010 382 HB3 ALA 46 HB3 ALA 46 -6.726 37.730 5.204 383 H GLY 47 H GLY 47 -3.200 36.639 7.962 384 HA2 GLY 47 HA2 GLY 47 -3.143 35.397 9.941 385 HA3 GLY 47 HA3 GLY 47 -4.418 34.316 9.361 386 H LYS 48 H LYS 48 -2.806 34.228 6.608 387 HA LYS 48 HA LYS 48 -1.094 31.965 7.531 388 HB2 LYS 48 HB2 LYS 48 -3.133 32.118 5.296 389 HB3 LYS 48 HB3 LYS 48 -1.999 30.781 5.373 390 HG2 LYS 48 HG2 LYS 48 -4.095 31.605 7.378 391 HG3 LYS 48 HG3 LYS 48 -4.252 30.301 6.286 392 HD2 LYS 48 HD2 LYS 48 -2.235 30.457 8.536 393 HD3 LYS 48 HD3 LYS 48 -3.749 29.554 8.476 394 HE2 LYS 48 HE2 LYS 48 -3.088 28.035 6.807 395 HE3 LYS 48 HE3 LYS 48 -1.509 28.695 6.570 396 HZ1 LYS 48 HZ1 LYS 48 -1.403 28.398 9.082 397 HZ2 LYS 48 HZ2 LYS 48 -1.330 26.920 8.099 398 HZ3 LYS 48 HZ3 LYS 48 -2.718 27.422 8.893 399 H GLN 49 H GLN 49 0.822 31.681 6.601 400 HA GLN 49 HA GLN 49 1.824 33.614 4.695 401 HB2 GLN 49 HB2 GLN 49 3.008 31.028 5.680 402 HB3 GLN 49 HB3 GLN 49 3.864 32.136 4.618 403 HG2 GLN 49 HG2 GLN 49 3.947 33.889 6.309 404 HG3 GLN 49 HG3 GLN 49 2.931 33.020 7.447 405 HE21 GLN 49 HE21 GLN 49 3.534 30.853 8.085 406 HE22 GLN 49 HE22 GLN 49 5.135 30.673 8.659 407 H LEU 50 H LEU 50 1.328 33.539 2.510 408 HA LEU 50 HA LEU 50 -0.143 31.705 1.073 409 HB2 LEU 50 HB2 LEU 50 1.668 33.958 0.320 410 HB3 LEU 50 HB3 LEU 50 0.269 33.418 -0.758 411 HG LEU 50 HG LEU 50 0.007 35.035 1.840 412 HD11 LEU 50 HD11 LEU 50 0.404 36.127 -0.446 413 HD12 LEU 50 HD12 LEU 50 -1.188 36.552 0.342 414 HD13 LEU 50 HD13 LEU 50 -1.169 35.480 -0.994 415 HD21 LEU 50 HD21 LEU 50 -2.504 34.619 1.595 416 HD22 LEU 50 HD22 LEU 50 -1.571 33.216 1.979 417 HD23 LEU 50 HD23 LEU 50 -2.100 33.354 0.306 418 H GLU 51 H GLU 51 0.376 30.116 -0.418 419 HA GLU 51 HA GLU 51 3.202 29.259 -0.023 420 HB2 GLU 51 HB2 GLU 51 0.733 27.695 -0.800 421 HB3 GLU 51 HB3 GLU 51 2.420 27.121 -0.655 422 HG2 GLU 51 HG2 GLU 51 2.205 27.603 1.830 423 HG3 GLU 51 HG3 GLU 51 0.556 28.246 1.532 424 H ASP 52 H ASP 52 4.476 29.060 -1.486 425 HA ASP 52 HA ASP 52 4.579 30.721 -3.417 426 HB2 ASP 52 HB2 ASP 52 5.795 27.917 -3.429 427 HB3 ASP 52 HB3 ASP 52 6.385 29.200 -4.382 428 H GLY 53 H GLY 53 3.608 27.370 -4.071 429 HA2 GLY 53 HA2 GLY 53 3.469 27.585 -6.884 430 HA3 GLY 53 HA3 GLY 53 3.047 26.122 -5.923 431 H ARG 54 H ARG 54 1.059 28.485 -4.718 432 HA ARG 54 HA ARG 54 -1.148 27.435 -6.336 433 HB2 ARG 54 HB2 ARG 54 -1.366 29.015 -3.645 434 HB3 ARG 54 HB3 ARG 54 -2.635 27.971 -4.351 435 HG2 ARG 54 HG2 ARG 54 -0.689 26.009 -4.092 436 HG3 ARG 54 HG3 ARG 54 0.113 27.230 -3.180 437 HD2 ARG 54 HD2 ARG 54 -1.735 27.254 -1.499 438 HD3 ARG 54 HD3 ARG 54 -2.781 26.235 -2.518 439 HE ARG 54 HE ARG 54 -0.653 25.474 -0.782 440 HH11 ARG 54 HH11 ARG 54 -2.127 24.245 -3.639 441 HH12 ARG 54 HH12 ARG 54 -1.212 22.849 -3.759 442 HH21 ARG 54 HH21 ARG 54 0.567 23.426 -0.798 443 HH22 ARG 54 HH22 ARG 54 0.422 22.478 -2.227 444 H THR 55 H THR 55 -3.055 29.175 -6.634 445 HA THR 55 HA THR 55 -1.782 31.497 -7.773 446 HB THR 55 HB THR 55 -3.741 31.922 -8.969 447 HG1 THR 55 HG1 THR 55 -4.636 29.598 -7.716 448 HG21 THR 55 HG21 THR 55 -3.033 28.950 -9.147 449 HG22 THR 55 HG22 THR 55 -2.065 30.268 -9.782 450 HG23 THR 55 HG23 THR 55 -3.647 29.924 -10.501 451 H LEU 56 H LEU 56 -2.483 33.576 -7.455 452 HA LEU 56 HA LEU 56 -3.648 34.393 -5.157 453 HB2 LEU 56 HB2 LEU 56 -3.713 35.751 -7.858 454 HB3 LEU 56 HB3 LEU 56 -4.315 36.505 -6.326 455 HG LEU 56 HG LEU 56 -1.798 36.037 -5.471 456 HD11 LEU 56 HD11 LEU 56 -1.556 35.669 -8.577 457 HD12 LEU 56 HD12 LEU 56 -0.931 34.752 -7.209 458 HD13 LEU 56 HD13 LEU 56 -0.310 36.389 -7.555 459 HD21 LEU 56 HD21 LEU 56 -1.142 38.175 -6.440 460 HD22 LEU 56 HD22 LEU 56 -2.967 38.410 -6.138 461 HD23 LEU 56 HD23 LEU 56 -2.377 38.110 -7.693 462 H SER 57 H SER 57 -5.460 33.197 -8.074 463 HA SER 57 HA SER 57 -8.004 33.801 -7.208 464 HB2 SER 57 HB2 SER 57 -7.499 33.250 -9.568 465 HB3 SER 57 HB3 SER 57 -6.837 31.708 -9.072 466 HG SER 57 HG SER 57 -9.182 31.938 -9.958 467 H ASP 58 H ASP 58 -5.931 31.050 -6.351 468 HA ASP 58 HA ASP 58 -7.882 29.483 -5.115 469 HB2 ASP 58 HB2 ASP 58 -4.906 29.751 -4.321 470 HB3 ASP 58 HB3 ASP 58 -6.072 28.472 -3.867 471 H TYR 59 H TYR 59 -6.105 32.066 -3.728 472 HA TYR 59 HA TYR 59 -7.293 31.966 -1.063 473 HB2 TYR 59 HB2 TYR 59 -5.123 33.796 -1.996 474 HB3 TYR 59 HB3 TYR 59 -5.788 33.921 -0.450 475 HD1 TYR 59 HD1 TYR 59 -3.602 32.055 -2.562 476 HD2 TYR 59 HD2 TYR 59 -5.476 31.960 1.324 477 HE1 TYR 59 HE1 TYR 59 -1.867 30.635 -1.761 478 HE2 TYR 59 HE2 TYR 59 -3.773 30.384 2.122 479 HH TYR 59 HH TYR 59 -1.668 29.315 1.593 480 H ASN 60 H ASN 60 -8.369 33.139 -3.811 481 HA ASN 60 HA ASN 60 -9.833 34.778 -4.464 482 HB2 ASN 60 HB2 ASN 60 -10.483 34.980 -1.459 483 HB3 ASN 60 HB3 ASN 60 -11.610 35.215 -2.823 484 HD21 ASN 60 HD21 ASN 60 -11.561 33.133 -4.393 485 HD22 ASN 60 HD22 ASN 60 -11.752 31.637 -3.650 486 H ILE 61 H ILE 61 -7.419 35.897 -4.279 487 HA ILE 61 HA ILE 61 -7.330 38.147 -2.434 488 HB ILE 61 HB ILE 61 -5.676 37.721 -4.926 489 HG12 ILE 61 HG12 ILE 61 -5.366 35.729 -3.219 490 HG13 ILE 61 HG13 ILE 61 -3.956 36.852 -3.269 491 HG21 ILE 61 HG21 ILE 61 -5.266 40.049 -4.179 492 HG22 ILE 61 HG22 ILE 61 -3.877 39.133 -3.497 493 HG23 ILE 61 HG23 ILE 61 -5.349 39.532 -2.559 494 HD11 ILE 61 HD11 ILE 61 -6.094 37.214 -1.215 495 HD12 ILE 61 HD12 ILE 61 -4.367 37.770 -1.158 496 HD13 ILE 61 HD13 ILE 61 -4.829 36.113 -0.859 497 H GLN 62 H GLN 62 -8.219 39.973 -2.442 498 HA GLN 62 HA GLN 62 -9.677 40.871 -4.762 499 HB2 GLN 62 HB2 GLN 62 -9.176 42.120 -2.027 500 HB3 GLN 62 HB3 GLN 62 -10.230 43.014 -3.176 501 HG2 GLN 62 HG2 GLN 62 -10.878 40.314 -1.885 502 HG3 GLN 62 HG3 GLN 62 -11.685 41.878 -1.741 503 HE21 GLN 62 HE21 GLN 62 -11.008 39.065 -3.696 504 HE22 GLN 62 HE22 GLN 62 -12.344 39.219 -4.827 505 H LYS 63 H LYS 63 -9.478 42.872 -5.819 506 HA LYS 63 HA LYS 63 -6.845 43.924 -6.484 507 HB2 LYS 63 HB2 LYS 63 -8.484 44.098 -8.106 508 HB3 LYS 63 HB3 LYS 63 -9.746 44.688 -7.019 509 HG2 LYS 63 HG2 LYS 63 -8.779 46.851 -6.744 510 HG3 LYS 63 HG3 LYS 63 -7.263 46.371 -7.491 511 HD2 LYS 63 HD2 LYS 63 -8.554 46.163 -9.656 512 HD3 LYS 63 HD3 LYS 63 -10.060 46.388 -8.713 513 HE2 LYS 63 HE2 LYS 63 -7.791 48.502 -9.065 514 HE3 LYS 63 HE3 LYS 63 -9.153 48.389 -10.194 515 HZ1 LYS 63 HZ1 LYS 63 -9.401 48.881 -7.274 516 HZ2 LYS 63 HZ2 LYS 63 -10.627 48.776 -8.348 517 HZ3 LYS 63 HZ3 LYS 63 -9.508 50.082 -8.435 518 H GLU 64 H GLU 64 -5.756 45.432 -5.652 519 HA GLU 64 HA GLU 64 -5.025 47.060 -4.481 520 HB2 GLU 64 HB2 GLU 64 -7.776 47.892 -4.145 521 HB3 GLU 64 HB3 GLU 64 -6.357 48.745 -3.404 522 HG2 GLU 64 HG2 GLU 64 -5.704 49.575 -5.551 523 HG3 GLU 64 HG3 GLU 64 -6.675 48.398 -6.507 524 H SER 65 H SER 65 -5.751 44.356 -3.510 525 HA SER 65 HA SER 65 -5.935 44.405 -0.675 526 HB2 SER 65 HB2 SER 65 -4.766 42.170 -2.339 527 HB3 SER 65 HB3 SER 65 -4.696 42.208 -0.550 528 HG SER 65 HG SER 65 -6.903 42.350 -2.246 529 H THR 66 H THR 66 -4.424 44.457 1.016 530 HA THR 66 HA THR 66 -1.677 45.271 0.251 531 HB THR 66 HB THR 66 -3.164 45.734 2.877 532 HG1 THR 66 HG1 THR 66 -3.721 47.200 1.308 533 HG21 THR 66 HG21 THR 66 -0.402 46.662 1.992 534 HG22 THR 66 HG22 THR 66 -0.800 45.362 3.279 535 HG23 THR 66 HG23 THR 66 -1.234 47.053 3.516 536 H LEU 67 H LEU 67 -0.117 43.581 0.509 537 HA LEU 67 HA LEU 67 -0.694 41.257 2.145 538 HB2 LEU 67 HB2 LEU 67 1.007 41.608 -0.247 539 HB3 LEU 67 HB3 LEU 67 1.065 40.181 0.877 540 HG LEU 67 HG LEU 67 -1.186 39.678 0.462 541 HD11 LEU 67 HD11 LEU 67 -2.218 41.780 -0.364 542 HD12 LEU 67 HD12 LEU 67 -2.656 40.244 -1.213 543 HD13 LEU 67 HD13 LEU 67 -1.580 41.389 -2.015 544 HD21 LEU 67 HD21 LEU 67 -0.941 38.853 -1.940 545 HD22 LEU 67 HD22 LEU 67 0.260 38.338 -0.749 546 HD23 LEU 67 HD23 LEU 67 0.729 39.681 -1.781 547 H HIS 68 H HIS 68 0.950 40.707 3.831 548 HA HIS 68 HA HIS 68 2.981 42.691 4.117 549 HB2 HIS 68 HB2 HIS 68 1.681 40.687 5.850 550 HB3 HIS 68 HB3 HIS 68 3.331 41.084 6.406 551 HD1 HIS 68 HD1 HIS 68 3.529 43.992 6.461 552 HD2 HIS 68 HD2 HIS 68 -0.061 42.130 7.214 553 HE1 HIS 68 HE1 HIS 68 1.955 45.720 7.712 554 H LEU 69 H LEU 69 5.028 42.405 4.166 555 HA LEU 69 HA LEU 69 6.301 39.861 3.346 556 HB2 LEU 69 HB2 LEU 69 6.519 41.901 1.937 557 HB3 LEU 69 HB3 LEU 69 7.558 42.533 3.299 558 HG LEU 69 HG LEU 69 8.956 40.767 3.206 559 HD11 LEU 69 HD11 LEU 69 9.405 39.280 1.351 560 HD12 LEU 69 HD12 LEU 69 8.101 39.948 0.440 561 HD13 LEU 69 HD13 LEU 69 7.836 38.834 1.927 562 HD21 LEU 69 HD21 LEU 69 10.180 41.511 1.174 563 HD22 LEU 69 HD22 LEU 69 9.424 42.872 2.128 564 HD23 LEU 69 HD23 LEU 69 8.689 42.386 0.620 565 H VAL 70 H VAL 70 6.878 38.600 4.989 566 HA VAL 70 HA VAL 70 8.869 39.685 6.898 567 HB VAL 70 HB VAL 70 8.359 37.627 8.354 568 HG11 VAL 70 HG11 VAL 70 6.116 38.249 9.186 569 HG12 VAL 70 HG12 VAL 70 6.186 39.591 7.943 570 HG13 VAL 70 HG13 VAL 70 7.400 39.466 9.231 571 HG21 VAL 70 HG21 VAL 70 6.249 36.384 8.028 572 HG22 VAL 70 HG22 VAL 70 7.486 36.083 6.674 573 HG23 VAL 70 HG23 VAL 70 6.069 37.144 6.377 574 H LEU 71 H LEU 71 10.788 38.505 7.339 575 HA LEU 71 HA LEU 71 11.384 36.961 4.923 576 HB2 LEU 71 HB2 LEU 71 13.244 39.147 6.264 577 HB3 LEU 71 HB3 LEU 71 13.699 38.057 4.956 578 HG LEU 71 HG LEU 71 11.380 40.034 4.815 579 HD11 LEU 71 HD11 LEU 71 12.798 41.350 3.186 580 HD12 LEU 71 HD12 LEU 71 14.234 40.593 3.818 581 HD13 LEU 71 HD13 LEU 71 13.111 41.471 4.864 582 HD21 LEU 71 HD21 LEU 71 12.774 38.359 2.582 583 HD22 LEU 71 HD22 LEU 71 11.713 39.682 2.355 584 HD23 LEU 71 HD23 LEU 71 11.016 38.215 3.147 585 H ARG 72 H ARG 72 12.378 35.111 5.347 586 HA ARG 72 HA ARG 72 13.523 34.203 7.781 587 HB2 ARG 72 HB2 ARG 72 14.234 33.225 4.932 588 HB3 ARG 72 HB3 ARG 72 14.363 32.204 6.473 589 HG2 ARG 72 HG2 ARG 72 11.745 33.124 5.139 590 HG3 ARG 72 HG3 ARG 72 12.501 31.620 4.880 591 HD2 ARG 72 HD2 ARG 72 11.550 32.631 7.674 592 HD3 ARG 72 HD3 ARG 72 10.521 31.734 6.556 593 HE ARG 72 HE ARG 72 13.010 30.205 6.973 594 HH11 ARG 72 HH11 ARG 72 10.330 31.145 9.085 595 HH12 ARG 72 HH12 ARG 72 10.978 30.091 10.280 596 HH21 ARG 72 HH21 ARG 72 13.670 29.217 8.720 597 HH22 ARG 72 HH22 ARG 72 12.368 28.741 9.767 598 H LEU 73 H LEU 73 15.591 34.087 8.424 599 HA LEU 73 HA LEU 73 17.630 35.696 7.549 600 HB2 LEU 73 HB2 LEU 73 17.307 33.480 9.525 601 HB3 LEU 73 HB3 LEU 73 18.878 34.268 9.313 602 HG LEU 73 HG LEU 73 17.828 35.035 11.263 603 HD11 LEU 73 HD11 LEU 73 18.122 37.242 9.185 604 HD12 LEU 73 HD12 LEU 73 19.490 36.471 10.032 605 HD13 LEU 73 HD13 LEU 73 18.284 37.485 10.937 606 HD21 LEU 73 HD21 LEU 73 15.674 36.398 9.526 607 HD22 LEU 73 HD22 LEU 73 16.142 36.667 11.224 608 HD23 LEU 73 HD23 LEU 73 15.559 35.001 10.758 609 H ARG 74 H ARG 74 19.600 35.082 6.512 610 HA ARG 74 HA ARG 74 19.755 32.511 5.053 611 HB2 ARG 74 HB2 ARG 74 21.957 34.591 5.344 612 HB3 ARG 74 HB3 ARG 74 21.953 33.167 4.345 613 HG2 ARG 74 HG2 ARG 74 19.713 35.267 4.001 614 HG3 ARG 74 HG3 ARG 74 21.446 35.524 3.398 615 HD2 ARG 74 HD2 ARG 74 21.145 33.439 2.000 616 HD3 ARG 74 HD3 ARG 74 19.569 33.191 2.799 617 HE ARG 74 HE ARG 74 19.495 35.810 1.568 618 HH11 ARG 74 HH11 ARG 74 19.784 32.461 0.354 619 HH12 ARG 74 HH12 ARG 74 18.259 32.640 -0.408 620 HH21 ARG 74 HH21 ARG 74 18.017 35.957 -0.183 621 HH22 ARG 74 HH22 ARG 74 17.461 34.578 -1.017 622 H GLY 75 H GLY 75 21.730 31.195 5.280 623 HA2 GLY 75 HA2 GLY 75 21.918 29.928 7.771 624 HA3 GLY 75 HA3 GLY 75 23.044 29.740 6.366 625 H GLY 76 H GLY 76 23.360 30.322 9.616 626 HA2 GLY 76 HA2 GLY 76 25.925 31.404 9.391 627 HA3 GLY 76 HA3 GLY 76 24.745 32.539 10.015 Start of MODEL 4 1 H MET 1 HT1 MET 1 -5.160 43.453 -12.603 2 HA MET 1 HA MET 1 -6.458 44.949 -11.091 3 HB2 MET 1 HB2 MET 1 -6.933 44.292 -8.753 4 HB3 MET 1 HB3 MET 1 -7.531 43.124 -9.852 5 HG2 MET 1 HG2 MET 1 -4.828 42.932 -8.288 6 HG3 MET 1 HG3 MET 1 -6.493 42.566 -7.757 7 HE1 MET 1 HE1 MET 1 -4.439 40.576 -7.401 8 HE2 MET 1 HE2 MET 1 -4.804 39.008 -8.128 9 HE3 MET 1 HE3 MET 1 -6.114 39.888 -7.202 10 H GLN 2 H GLN 2 -5.507 46.170 -9.007 11 HA GLN 2 HA GLN 2 -2.633 45.708 -8.735 12 HB2 GLN 2 HB2 GLN 2 -2.486 48.148 -8.087 13 HB3 GLN 2 HB3 GLN 2 -3.470 48.015 -9.606 14 HG2 GLN 2 HG2 GLN 2 -4.443 48.476 -6.732 15 HG3 GLN 2 HG3 GLN 2 -4.309 49.699 -7.982 16 HE21 GLN 2 HE21 GLN 2 -6.144 50.201 -9.051 17 HE22 GLN 2 HE22 GLN 2 -7.429 49.038 -9.365 18 H ILE 3 H ILE 3 -1.764 45.259 -6.828 19 HA ILE 3 HA ILE 3 -3.417 45.538 -4.428 20 HB ILE 3 HB ILE 3 -2.444 43.568 -3.310 21 HG12 ILE 3 HG12 ILE 3 -1.415 42.973 -6.112 22 HG13 ILE 3 HG13 ILE 3 -0.418 43.389 -4.787 23 HG21 ILE 3 HG21 ILE 3 -4.685 43.701 -4.744 24 HG22 ILE 3 HG22 ILE 3 -4.100 42.102 -4.143 25 HG23 ILE 3 HG23 ILE 3 -3.837 42.634 -5.813 26 HD11 ILE 3 HD11 ILE 3 -1.485 41.278 -3.507 27 HD12 ILE 3 HD12 ILE 3 -0.279 41.042 -4.789 28 HD13 ILE 3 HD13 ILE 3 -1.975 40.850 -5.127 29 H PHE 4 H PHE 4 -2.024 45.792 -2.407 30 HA PHE 4 HA PHE 4 0.567 47.026 -2.955 31 HB2 PHE 4 HB2 PHE 4 -1.101 47.247 -0.501 32 HB3 PHE 4 HB3 PHE 4 0.255 48.357 -0.940 33 HD1 PHE 4 HD1 PHE 4 0.163 49.673 -3.047 34 HD2 PHE 4 HD2 PHE 4 -3.306 48.065 -1.364 35 HE1 PHE 4 HE1 PHE 4 -1.154 51.294 -4.364 36 HE2 PHE 4 HE2 PHE 4 -4.738 49.672 -2.672 37 HZ PHE 4 HZ PHE 4 -3.614 51.353 -4.127 38 H VAL 5 H VAL 5 2.289 46.566 -1.649 39 HA VAL 5 HA VAL 5 2.192 44.166 0.156 40 HB VAL 5 HB VAL 5 4.250 44.664 -1.958 41 HG11 VAL 5 HG11 VAL 5 5.536 42.699 -0.832 42 HG12 VAL 5 HG12 VAL 5 4.480 42.952 0.563 43 HG13 VAL 5 HG13 VAL 5 5.756 44.234 -0.006 44 HG21 VAL 5 HG21 VAL 5 3.940 42.376 -2.573 45 HG22 VAL 5 HG22 VAL 5 2.279 43.080 -2.287 46 HG23 VAL 5 HG23 VAL 5 3.038 41.985 -1.184 47 H LYS 6 H LYS 6 3.068 44.555 2.101 48 HA LYS 6 HA LYS 6 4.052 47.257 2.700 49 HB2 LYS 6 HB2 LYS 6 1.681 46.911 3.227 50 HB3 LYS 6 HB3 LYS 6 2.223 45.632 4.374 51 HG2 LYS 6 HG2 LYS 6 1.552 47.595 5.436 52 HG3 LYS 6 HG3 LYS 6 3.341 47.317 5.687 53 HD2 LYS 6 HD2 LYS 6 3.958 49.048 4.086 54 HD3 LYS 6 HD3 LYS 6 2.301 49.081 3.508 55 HE2 LYS 6 HE2 LYS 6 2.790 51.133 4.953 56 HE3 LYS 6 HE3 LYS 6 1.424 50.149 5.542 57 HZ1 LYS 6 HZ1 LYS 6 2.674 50.640 7.396 58 HZ2 LYS 6 HZ2 LYS 6 4.115 50.319 6.744 59 HZ3 LYS 6 HZ3 LYS 6 3.056 49.033 7.039 60 H THR 7 H THR 7 5.975 47.178 3.881 61 HA THR 7 HA THR 7 6.922 44.510 4.519 62 HB THR 7 HB THR 7 9.040 44.961 3.835 63 HG1 THR 7 HG1 THR 7 9.709 46.973 3.651 64 HG21 THR 7 HG21 THR 7 7.294 46.325 1.728 65 HG22 THR 7 HG22 THR 7 7.070 44.623 2.102 66 HG23 THR 7 HG23 THR 7 8.694 45.193 1.489 67 H LEU 8 H LEU 8 8.584 44.291 6.276 68 HA LEU 8 HA LEU 8 7.804 45.713 8.561 69 HB2 LEU 8 HB2 LEU 8 8.336 43.309 8.636 70 HB3 LEU 8 HB3 LEU 8 9.916 43.727 7.854 71 HG LEU 8 HG LEU 8 10.725 44.647 9.942 72 HD11 LEU 8 HD11 LEU 8 8.227 45.378 10.826 73 HD12 LEU 8 HD12 LEU 8 9.321 44.861 12.063 74 HD13 LEU 8 HD13 LEU 8 8.122 43.703 11.413 75 HD21 LEU 8 HD21 LEU 8 9.691 41.921 10.827 76 HD22 LEU 8 HD22 LEU 8 11.223 42.806 11.091 77 HD23 LEU 8 HD23 LEU 8 10.812 42.273 9.419 78 H THR 9 H THR 9 10.351 45.993 6.338 79 HA THR 9 HA THR 9 12.151 47.740 7.676 80 HB THR 9 HB THR 9 12.444 48.408 5.021 81 HG1 THR 9 HG1 THR 9 11.681 47.172 3.721 82 HG21 THR 9 HG21 THR 9 13.886 46.386 4.721 83 HG22 THR 9 HG22 THR 9 12.981 45.549 6.077 84 HG23 THR 9 HG23 THR 9 13.959 46.944 6.466 85 H GLY 10 H GLY 10 8.950 48.299 6.382 86 HA2 GLY 10 HA2 GLY 10 7.811 50.269 6.813 87 HA3 GLY 10 HA3 GLY 10 9.348 51.207 6.831 88 H LYS 11 H LYS 11 8.206 49.170 4.114 89 HA LYS 11 HA LYS 11 8.061 51.651 2.475 90 HB2 LYS 11 HB2 LYS 11 8.539 48.969 0.954 91 HB3 LYS 11 HB3 LYS 11 8.988 50.596 0.557 92 HG2 LYS 11 HG2 LYS 11 10.564 49.048 2.686 93 HG3 LYS 11 HG3 LYS 11 10.743 48.970 0.936 94 HD2 LYS 11 HD2 LYS 11 10.800 51.651 1.209 95 HD3 LYS 11 HD3 LYS 11 10.946 51.274 2.928 96 HE2 LYS 11 HE2 LYS 11 13.014 51.737 1.978 97 HE3 LYS 11 HE3 LYS 11 13.012 49.912 2.300 98 HZ1 LYS 11 HZ1 LYS 11 14.087 50.505 0.276 99 HZ2 LYS 11 HZ2 LYS 11 12.682 51.211 -0.298 100 HZ3 LYS 11 HZ3 LYS 11 12.682 49.558 -0.050 101 H THR 12 H THR 12 6.189 51.784 1.192 102 HA THR 12 HA THR 12 4.297 49.534 1.171 103 HB THR 12 HB THR 12 3.446 52.313 0.483 104 HG1 THR 12 HG1 THR 12 4.106 51.928 2.815 105 HG21 THR 12 HG21 THR 12 2.075 49.628 0.840 106 HG22 THR 12 HG22 THR 12 2.142 50.667 -0.530 107 HG23 THR 12 HG23 THR 12 1.229 51.257 0.828 108 H ILE 13 H ILE 13 4.536 48.278 -0.702 109 HA ILE 13 HA ILE 13 5.637 49.605 -3.041 110 HB ILE 13 HB ILE 13 5.391 46.645 -2.301 111 HG12 ILE 13 HG12 ILE 13 7.015 47.469 -0.674 112 HG13 ILE 13 HG13 ILE 13 7.841 46.757 -2.001 113 HG21 ILE 13 HG21 ILE 13 5.633 46.865 -4.772 114 HG22 ILE 13 HG22 ILE 13 7.310 46.621 -4.185 115 HG23 ILE 13 HG23 ILE 13 6.622 48.219 -4.530 116 HD11 ILE 13 HD11 ILE 13 9.004 48.927 -1.473 117 HD12 ILE 13 HD12 ILE 13 7.489 49.794 -1.703 118 HD13 ILE 13 HD13 ILE 13 8.237 48.940 -3.100 119 H THR 14 H THR 14 4.192 49.861 -4.973 120 HA THR 14 HA THR 14 1.570 48.629 -5.035 121 HB THR 14 HB THR 14 2.775 50.574 -7.058 122 HG1 THR 14 HG1 THR 14 2.241 51.127 -4.568 123 HG21 THR 14 HG21 THR 14 -0.111 49.906 -6.131 124 HG22 THR 14 HG22 THR 14 0.561 49.077 -7.543 125 HG23 THR 14 HG23 THR 14 0.391 50.850 -7.573 126 H LEU 15 H LEU 15 1.357 46.700 -6.313 127 HA LEU 15 HA LEU 15 2.842 46.580 -8.847 128 HB2 LEU 15 HB2 LEU 15 3.347 44.193 -8.605 129 HB3 LEU 15 HB3 LEU 15 4.284 45.161 -7.431 130 HG LEU 15 HG LEU 15 1.709 43.738 -6.827 131 HD11 LEU 15 HD11 LEU 15 3.334 41.982 -5.816 132 HD12 LEU 15 HD12 LEU 15 4.639 42.644 -6.635 133 HD13 LEU 15 HD13 LEU 15 3.210 41.831 -7.497 134 HD21 LEU 15 HD21 LEU 15 2.400 43.593 -4.551 135 HD22 LEU 15 HD22 LEU 15 2.213 45.341 -4.994 136 HD23 LEU 15 HD23 LEU 15 3.843 44.775 -4.891 137 H GLU 16 H GLU 16 1.909 45.801 -10.373 138 HA GLU 16 HA GLU 16 -0.928 45.295 -10.211 139 HB2 GLU 16 HB2 GLU 16 0.663 46.270 -12.570 140 HB3 GLU 16 HB3 GLU 16 -1.063 46.113 -12.531 141 HG2 GLU 16 HG2 GLU 16 -1.444 48.092 -11.253 142 HG3 GLU 16 HG3 GLU 16 -0.021 47.705 -10.256 143 H VAL 17 H VAL 17 -1.830 43.267 -10.607 144 HA VAL 17 HA VAL 17 -0.260 41.140 -11.883 145 HB VAL 17 HB VAL 17 -0.370 39.669 -9.899 146 HG11 VAL 17 HG11 VAL 17 0.918 42.141 -8.865 147 HG12 VAL 17 HG12 VAL 17 1.655 41.397 -10.300 148 HG13 VAL 17 HG13 VAL 17 1.539 40.566 -8.792 149 HG21 VAL 17 HG21 VAL 17 -2.417 40.429 -8.736 150 HG22 VAL 17 HG22 VAL 17 -1.678 42.081 -8.460 151 HG23 VAL 17 HG23 VAL 17 -1.007 40.646 -7.669 152 H GLU 18 H GLU 18 -1.479 39.032 -12.052 153 HA GLU 18 HA GLU 18 -4.324 39.726 -12.528 154 HB2 GLU 18 HB2 GLU 18 -2.439 37.875 -13.925 155 HB3 GLU 18 HB3 GLU 18 -4.193 37.748 -14.118 156 HG2 GLU 18 HG2 GLU 18 -4.047 40.133 -14.982 157 HG3 GLU 18 HG3 GLU 18 -2.370 40.320 -14.587 158 HA PRO 19 HA PRO 19 -5.308 36.483 -9.694 159 HB2 PRO 19 HB2 PRO 19 -7.355 35.561 -11.862 160 HB3 PRO 19 HB3 PRO 19 -7.699 35.706 -10.103 161 HG2 PRO 19 HG2 PRO 19 -8.417 37.882 -11.294 162 HG3 PRO 19 HG3 PRO 19 -7.073 37.992 -10.052 163 HD2 PRO 19 HD2 PRO 19 -6.487 37.861 -13.149 164 HD3 PRO 19 HD3 PRO 19 -6.210 39.210 -11.978 165 H SER 20 H SER 20 -4.505 35.510 -12.816 166 HA SER 20 HA SER 20 -4.138 32.545 -12.441 167 HB2 SER 20 HB2 SER 20 -3.241 32.511 -14.675 168 HB3 SER 20 HB3 SER 20 -4.814 33.443 -14.587 169 HG SER 20 HG SER 20 -2.181 34.362 -14.996 170 H ASP 21 H ASP 21 -2.154 35.700 -12.112 171 HA ASP 21 HA ASP 21 0.330 34.663 -12.234 172 HB2 ASP 21 HB2 ASP 21 -0.870 36.824 -10.539 173 HB3 ASP 21 HB3 ASP 21 0.942 36.617 -10.576 174 H THR 22 H THR 22 1.779 33.555 -10.798 175 HA THR 22 HA THR 22 0.637 32.580 -8.364 176 HB THR 22 HB THR 22 2.800 31.170 -8.234 177 HG1 THR 22 HG1 THR 22 3.870 31.056 -10.296 178 HG21 THR 22 HG21 THR 22 2.206 29.568 -9.968 179 HG22 THR 22 HG22 THR 22 1.434 30.763 -10.995 180 HG23 THR 22 HG23 THR 22 0.619 30.316 -9.508 181 H ILE 23 H ILE 23 1.641 32.396 -6.424 182 HA ILE 23 HA ILE 23 2.738 34.782 -5.284 183 HB ILE 23 HB ILE 23 2.767 31.900 -4.422 184 HG12 ILE 23 HG12 ILE 23 0.617 32.999 -4.501 185 HG13 ILE 23 HG13 ILE 23 0.908 32.625 -2.831 186 HG21 ILE 23 HG21 ILE 23 4.767 33.066 -3.295 187 HG22 ILE 23 HG22 ILE 23 3.546 32.694 -2.193 188 HG23 ILE 23 HG23 ILE 23 3.682 34.393 -2.874 189 HD11 ILE 23 HD11 ILE 23 1.441 35.196 -2.463 190 HD12 ILE 23 HD12 ILE 23 -0.137 34.801 -3.059 191 HD13 ILE 23 HD13 ILE 23 1.076 35.462 -4.137 192 H GLU 24 H GLU 24 4.334 31.954 -6.720 193 HA GLU 24 HA GLU 24 7.067 32.796 -6.578 194 HB2 GLU 24 HB2 GLU 24 6.650 30.807 -7.051 195 HB3 GLU 24 HB3 GLU 24 5.616 31.032 -8.362 196 HG2 GLU 24 HG2 GLU 24 7.633 31.892 -9.830 197 HG3 GLU 24 HG3 GLU 24 8.603 31.484 -8.338 198 H ASN 25 H ASN 25 4.836 33.705 -9.341 199 HA ASN 25 HA ASN 25 6.533 35.620 -10.377 200 HB2 ASN 25 HB2 ASN 25 3.504 35.867 -10.254 201 HB3 ASN 25 HB3 ASN 25 4.590 36.537 -11.497 202 HD21 ASN 25 HD21 ASN 25 6.213 33.943 -11.826 203 HD22 ASN 25 HD22 ASN 25 5.123 32.995 -12.763 204 H VAL 26 H VAL 26 4.061 36.232 -7.859 205 HA VAL 26 HA VAL 26 4.662 39.021 -7.589 206 HB VAL 26 HB VAL 26 3.657 37.099 -5.414 207 HG11 VAL 26 HG11 VAL 26 3.727 40.093 -5.738 208 HG12 VAL 26 HG12 VAL 26 4.301 39.263 -4.309 209 HG13 VAL 26 HG13 VAL 26 2.613 39.254 -4.478 210 HG21 VAL 26 HG21 VAL 26 2.343 37.449 -7.793 211 HG22 VAL 26 HG22 VAL 26 1.785 38.939 -6.970 212 HG23 VAL 26 HG23 VAL 26 1.365 37.463 -6.272 213 H LYS 27 H LYS 27 6.304 36.349 -5.989 214 HA LYS 27 HA LYS 27 8.027 37.989 -4.464 215 HB2 LYS 27 HB2 LYS 27 8.374 35.095 -5.446 216 HB3 LYS 27 HB3 LYS 27 9.702 35.931 -4.742 217 HG2 LYS 27 HG2 LYS 27 8.404 36.297 -2.746 218 HG3 LYS 27 HG3 LYS 27 6.880 35.965 -3.565 219 HD2 LYS 27 HD2 LYS 27 7.744 33.456 -3.508 220 HD3 LYS 27 HD3 LYS 27 9.118 33.998 -2.582 221 HE2 LYS 27 HE2 LYS 27 7.591 34.978 -0.919 222 HE3 LYS 27 HE3 LYS 27 6.195 34.254 -1.713 223 HZ1 LYS 27 HZ1 LYS 27 7.093 32.095 -1.413 224 HZ2 LYS 27 HZ2 LYS 27 6.893 32.797 0.068 225 HZ3 LYS 27 HZ3 LYS 27 8.408 32.644 -0.559 226 H ALA 28 H ALA 28 8.296 36.692 -7.770 227 HA ALA 28 HA ALA 28 10.872 37.793 -8.357 228 HB1 ALA 28 HB1 ALA 28 8.698 36.901 -10.297 229 HB2 ALA 28 HB2 ALA 28 9.938 35.868 -9.573 230 HB3 ALA 28 HB3 ALA 28 10.457 37.203 -10.625 231 H LYS 29 H LYS 29 7.556 39.219 -8.923 232 HA LYS 29 HA LYS 29 8.254 41.591 -9.996 233 HB2 LYS 29 HB2 LYS 29 5.935 40.955 -8.079 234 HB3 LYS 29 HB3 LYS 29 6.090 42.426 -8.839 235 HG2 LYS 29 HG2 LYS 29 5.617 39.890 -10.545 236 HG3 LYS 29 HG3 LYS 29 4.438 41.019 -10.122 237 HD2 LYS 29 HD2 LYS 29 5.717 42.966 -11.100 238 HD3 LYS 29 HD3 LYS 29 7.015 41.905 -11.588 239 HE2 LYS 29 HE2 LYS 29 5.694 40.721 -13.160 240 HE3 LYS 29 HE3 LYS 29 4.162 41.416 -12.604 241 HZ1 LYS 29 HZ1 LYS 29 4.730 43.543 -13.417 242 HZ2 LYS 29 HZ2 LYS 29 4.955 42.516 -14.625 243 HZ3 LYS 29 HZ3 LYS 29 6.308 43.012 -13.940 244 H ILE 30 H ILE 30 7.812 40.784 -6.589 245 HA ILE 30 HA ILE 30 8.570 43.353 -5.654 246 HB ILE 30 HB ILE 30 8.478 40.755 -4.219 247 HG12 ILE 30 HG12 ILE 30 6.264 41.663 -5.059 248 HG13 ILE 30 HG13 ILE 30 6.320 41.494 -3.275 249 HG21 ILE 30 HG21 ILE 30 8.849 43.590 -3.105 250 HG22 ILE 30 HG22 ILE 30 9.957 42.099 -2.957 251 HG23 ILE 30 HG23 ILE 30 8.366 42.250 -2.044 252 HD11 ILE 30 HD11 ILE 30 6.472 44.109 -4.863 253 HD12 ILE 30 HD12 ILE 30 6.656 44.037 -3.039 254 HD13 ILE 30 HD13 ILE 30 5.169 43.457 -3.834 255 H GLN 31 H GLN 31 10.469 40.327 -6.074 256 HA GLN 31 HA GLN 31 12.879 41.176 -5.373 257 HB2 GLN 31 HB2 GLN 31 12.786 38.895 -5.957 258 HB3 GLN 31 HB3 GLN 31 11.815 39.297 -7.415 259 HG2 GLN 31 HG2 GLN 31 14.098 38.295 -7.884 260 HG3 GLN 31 HG3 GLN 31 13.978 39.884 -8.631 261 HE21 GLN 31 HE21 GLN 31 14.839 39.627 -5.025 262 HE22 GLN 31 HE22 GLN 31 16.411 40.241 -5.404 263 H ASP 32 H ASP 32 11.285 41.715 -8.527 264 HA ASP 32 HA ASP 32 13.305 43.312 -9.554 265 HB2 ASP 32 HB2 ASP 32 11.668 42.141 -10.870 266 HB3 ASP 32 HB3 ASP 32 10.362 43.222 -10.116 267 H LYS 33 H LYS 33 10.317 44.284 -7.857 268 HA LYS 33 HA LYS 33 10.865 47.046 -8.021 269 HB2 LYS 33 HB2 LYS 33 9.067 45.528 -6.261 270 HB3 LYS 33 HB3 LYS 33 9.229 47.373 -6.173 271 HG2 LYS 33 HG2 LYS 33 8.174 45.518 -8.350 272 HG3 LYS 33 HG3 LYS 33 7.226 46.665 -7.379 273 HD2 LYS 33 HD2 LYS 33 9.240 47.575 -9.529 274 HD3 LYS 33 HD3 LYS 33 7.471 47.593 -9.602 275 HE2 LYS 33 HE2 LYS 33 7.464 49.055 -7.566 276 HE3 LYS 33 HE3 LYS 33 9.137 49.337 -7.626 277 HZ1 LYS 33 HZ1 LYS 33 7.509 49.664 -10.081 278 HZ2 LYS 33 HZ2 LYS 33 8.976 50.328 -9.728 279 HZ3 LYS 33 HZ3 LYS 33 7.537 50.932 -8.964 280 H GLU 34 H GLU 34 11.671 44.909 -5.298 281 HA GLU 34 HA GLU 34 13.154 47.202 -4.164 282 HB2 GLU 34 HB2 GLU 34 11.517 44.973 -2.887 283 HB3 GLU 34 HB3 GLU 34 12.581 45.765 -1.804 284 HG2 GLU 34 HG2 GLU 34 10.823 47.482 -3.519 285 HG3 GLU 34 HG3 GLU 34 10.217 46.690 -1.968 286 H GLY 35 H GLY 35 13.705 44.010 -5.475 287 HA2 GLY 35 HA2 GLY 35 15.682 43.088 -5.730 288 HA3 GLY 35 HA3 GLY 35 16.434 44.229 -4.618 289 H ILE 36 H ILE 36 13.770 42.179 -3.356 290 HA ILE 36 HA ILE 36 15.548 41.198 -1.316 291 HB ILE 36 HB ILE 36 12.643 40.926 -1.692 292 HG12 ILE 36 HG12 ILE 36 13.972 43.226 -0.277 293 HG13 ILE 36 HG13 ILE 36 13.142 43.280 -1.840 294 HG21 ILE 36 HG21 ILE 36 13.800 39.534 0.142 295 HG22 ILE 36 HG22 ILE 36 12.621 40.582 0.747 296 HG23 ILE 36 HG23 ILE 36 14.397 41.084 0.852 297 HD11 ILE 36 HD11 ILE 36 11.090 42.574 -0.880 298 HD12 ILE 36 HD12 ILE 36 11.685 44.100 -0.073 299 HD13 ILE 36 HD13 ILE 36 11.876 42.630 0.799 300 HA PRO 37 HA PRO 37 15.964 37.405 -3.887 301 HB2 PRO 37 HB2 PRO 37 16.341 36.172 -1.072 302 HB3 PRO 37 HB3 PRO 37 17.272 35.676 -2.474 303 HG2 PRO 37 HG2 PRO 37 18.472 37.575 -0.967 304 HG3 PRO 37 HG3 PRO 37 18.328 37.861 -2.748 305 HD2 PRO 37 HD2 PRO 37 16.678 39.015 -0.461 306 HD3 PRO 37 HD3 PRO 37 17.278 39.842 -2.001 307 HA PRO 38 HA PRO 38 11.923 36.115 -3.347 308 HB2 PRO 38 HB2 PRO 38 11.371 34.819 -5.733 309 HB3 PRO 38 HB3 PRO 38 11.940 36.496 -5.652 310 HG2 PRO 38 HG2 PRO 38 13.616 33.978 -5.922 311 HG3 PRO 38 HG3 PRO 38 13.561 35.247 -7.088 312 HD2 PRO 38 HD2 PRO 38 15.391 35.030 -5.030 313 HD3 PRO 38 HD3 PRO 38 14.821 36.644 -5.655 314 H ASP 39 H ASP 39 14.355 33.978 -2.442 315 HA ASP 39 HA ASP 39 12.538 31.873 -1.612 316 HB2 ASP 39 HB2 ASP 39 14.601 30.541 -1.039 317 HB3 ASP 39 HB3 ASP 39 14.745 31.021 -2.731 318 H GLN 40 H GLN 40 14.274 34.674 -0.392 319 HA GLN 40 HA GLN 40 14.150 33.842 2.345 320 HB2 GLN 40 HB2 GLN 40 14.794 36.551 1.021 321 HB3 GLN 40 HB3 GLN 40 14.683 36.182 2.769 322 HG2 GLN 40 HG2 GLN 40 16.390 34.252 2.316 323 HG3 GLN 40 HG3 GLN 40 16.439 35.056 0.653 324 HE21 GLN 40 HE21 GLN 40 16.592 35.644 4.285 325 HE22 GLN 40 HE22 GLN 40 17.673 36.947 4.194 326 H GLN 41 H GLN 41 12.314 35.906 0.063 327 HA GLN 41 HA GLN 41 10.584 37.128 1.617 328 HB2 GLN 41 HB2 GLN 41 10.403 35.965 -1.232 329 HB3 GLN 41 HB3 GLN 41 9.113 36.914 -0.534 330 HG2 GLN 41 HG2 GLN 41 10.481 38.855 -0.100 331 HG3 GLN 41 HG3 GLN 41 11.875 38.247 -0.883 332 HE21 GLN 41 HE21 GLN 41 11.940 38.337 -3.137 333 HE22 GLN 41 HE22 GLN 41 10.523 38.792 -4.095 334 H ARG 42 H ARG 42 8.844 36.842 3.083 335 HA ARG 42 HA ARG 42 7.200 34.441 2.490 336 HB2 ARG 42 HB2 ARG 42 8.126 35.474 5.175 337 HB3 ARG 42 HB3 ARG 42 6.817 34.332 5.033 338 HG2 ARG 42 HG2 ARG 42 9.718 33.987 4.044 339 HG3 ARG 42 HG3 ARG 42 9.023 33.608 5.682 340 HD2 ARG 42 HD2 ARG 42 7.470 31.930 4.601 341 HD3 ARG 42 HD3 ARG 42 8.399 32.190 3.119 342 HE ARG 42 HE ARG 42 10.328 31.091 3.952 343 HH11 ARG 42 HH11 ARG 42 7.884 31.341 6.586 344 HH12 ARG 42 HH12 ARG 42 8.530 29.987 7.351 345 HH21 ARG 42 HH21 ARG 42 11.047 29.477 5.065 346 HH22 ARG 42 HH22 ARG 42 10.249 28.857 6.487 347 H LEU 43 H LEU 43 5.371 34.989 1.750 348 HA LEU 43 HA LEU 43 4.476 37.730 2.227 349 HB2 LEU 43 HB2 LEU 43 3.583 35.707 0.099 350 HB3 LEU 43 HB3 LEU 43 3.135 37.450 0.202 351 HG LEU 43 HG LEU 43 5.982 36.641 -0.296 352 HD11 LEU 43 HD11 LEU 43 4.712 36.470 -2.495 353 HD12 LEU 43 HD12 LEU 43 5.400 38.065 -2.425 354 HD13 LEU 43 HD13 LEU 43 3.698 37.861 -2.030 355 HD21 LEU 43 HD21 LEU 43 4.812 39.504 -0.094 356 HD22 LEU 43 HD22 LEU 43 6.409 38.987 -0.549 357 HD23 LEU 43 HD23 LEU 43 5.974 38.691 1.107 358 H ILE 44 H ILE 44 2.697 38.213 3.374 359 HA ILE 44 HA ILE 44 0.960 35.985 4.326 360 HB ILE 44 HB ILE 44 1.686 38.595 5.660 361 HG12 ILE 44 HG12 ILE 44 2.899 35.799 6.059 362 HG13 ILE 44 HG13 ILE 44 3.820 37.261 5.426 363 HG21 ILE 44 HG21 ILE 44 -0.368 37.825 6.456 364 HG22 ILE 44 HG22 ILE 44 0.765 37.295 7.696 365 HG23 ILE 44 HG23 ILE 44 0.195 36.067 6.643 366 HD11 ILE 44 HD11 ILE 44 4.547 36.949 7.715 367 HD12 ILE 44 HD12 ILE 44 2.894 36.893 8.293 368 HD13 ILE 44 HD13 ILE 44 3.650 38.368 7.617 369 H PHE 45 H PHE 45 -1.003 36.071 4.191 370 HA PHE 45 HA PHE 45 -2.514 38.571 3.663 371 HB2 PHE 45 HB2 PHE 45 -2.391 37.189 1.599 372 HB3 PHE 45 HB3 PHE 45 -3.161 35.822 2.485 373 HD1 PHE 45 HD1 PHE 45 -4.060 39.467 2.737 374 HD2 PHE 45 HD2 PHE 45 -4.837 35.604 1.061 375 HE1 PHE 45 HE1 PHE 45 -6.195 40.244 1.890 376 HE2 PHE 45 HE2 PHE 45 -6.981 36.357 0.227 377 HZ PHE 45 HZ PHE 45 -7.661 38.645 0.453 378 H ALA 46 H ALA 46 -3.651 38.902 5.591 379 HA ALA 46 HA ALA 46 -4.855 38.516 7.392 380 HB1 ALA 46 HB1 ALA 46 -6.301 36.330 5.725 381 HB2 ALA 46 HB2 ALA 46 -6.390 38.137 5.423 382 HB3 ALA 46 HB3 ALA 46 -6.962 37.520 6.955 383 H GLY 47 H GLY 47 -2.431 37.213 8.009 384 HA2 GLY 47 HA2 GLY 47 -1.424 35.738 9.291 385 HA3 GLY 47 HA3 GLY 47 -3.008 35.145 9.691 386 H LYS 48 H LYS 48 -3.024 34.474 6.526 387 HA LYS 48 HA LYS 48 -1.984 31.805 6.566 388 HB2 LYS 48 HB2 LYS 48 -2.955 33.407 4.242 389 HB3 LYS 48 HB3 LYS 48 -2.433 31.686 4.158 390 HG2 LYS 48 HG2 LYS 48 -4.740 31.774 3.977 391 HG3 LYS 48 HG3 LYS 48 -4.459 31.085 5.604 392 HD2 LYS 48 HD2 LYS 48 -5.116 33.226 6.650 393 HD3 LYS 48 HD3 LYS 48 -5.334 33.917 5.008 394 HE2 LYS 48 HE2 LYS 48 -6.972 32.064 4.491 395 HE3 LYS 48 HE3 LYS 48 -7.031 31.680 6.193 396 HZ1 LYS 48 HZ1 LYS 48 -7.856 33.790 6.734 397 HZ2 LYS 48 HZ2 LYS 48 -8.641 33.226 5.347 398 HZ3 LYS 48 HZ3 LYS 48 -7.484 34.405 5.161 399 H GLN 49 H GLN 49 0.097 31.213 6.290 400 HA GLN 49 HA GLN 49 1.915 32.807 4.907 401 HB2 GLN 49 HB2 GLN 49 1.809 29.797 5.587 402 HB3 GLN 49 HB3 GLN 49 3.228 30.486 4.815 403 HG2 GLN 49 HG2 GLN 49 2.101 30.756 7.631 404 HG3 GLN 49 HG3 GLN 49 3.717 30.244 7.192 405 HE21 GLN 49 HE21 GLN 49 2.378 33.057 8.654 406 HE22 GLN 49 HE22 GLN 49 3.332 34.209 7.747 407 H LEU 50 H LEU 50 1.801 33.324 2.666 408 HA LEU 50 HA LEU 50 0.223 31.572 0.920 409 HB2 LEU 50 HB2 LEU 50 1.928 34.041 0.282 410 HB3 LEU 50 HB3 LEU 50 0.689 33.341 -0.857 411 HG LEU 50 HG LEU 50 0.052 34.605 1.883 412 HD11 LEU 50 HD11 LEU 50 1.221 36.151 0.462 413 HD12 LEU 50 HD12 LEU 50 -0.454 36.577 0.703 414 HD13 LEU 50 HD13 LEU 50 0.154 35.898 -0.904 415 HD21 LEU 50 HD21 LEU 50 -1.650 33.041 1.121 416 HD22 LEU 50 HD22 LEU 50 -1.690 33.913 -0.572 417 HD23 LEU 50 HD23 LEU 50 -2.119 34.695 1.013 418 H GLU 51 H GLU 51 0.828 29.775 0.003 419 HA GLU 51 HA GLU 51 3.539 28.973 -0.379 420 HB2 GLU 51 HB2 GLU 51 0.809 27.960 -1.128 421 HB3 GLU 51 HB3 GLU 51 2.223 26.977 -1.565 422 HG2 GLU 51 HG2 GLU 51 2.908 26.988 0.784 423 HG3 GLU 51 HG3 GLU 51 1.347 27.745 1.267 424 H ASP 52 H ASP 52 5.057 28.977 -2.241 425 HA ASP 52 HA ASP 52 4.682 30.956 -4.008 426 HB2 ASP 52 HB2 ASP 52 6.488 28.542 -4.399 427 HB3 ASP 52 HB3 ASP 52 6.732 30.201 -4.876 428 H GLY 53 H GLY 53 3.961 27.508 -4.919 429 HA2 GLY 53 HA2 GLY 53 3.469 28.304 -7.644 430 HA3 GLY 53 HA3 GLY 53 3.189 26.721 -6.849 431 H ARG 54 H ARG 54 1.706 29.132 -5.104 432 HA ARG 54 HA ARG 54 -0.937 28.312 -6.081 433 HB2 ARG 54 HB2 ARG 54 -0.030 30.139 -3.905 434 HB3 ARG 54 HB3 ARG 54 -1.721 29.610 -4.172 435 HG2 ARG 54 HG2 ARG 54 0.506 27.671 -3.444 436 HG3 ARG 54 HG3 ARG 54 -0.764 28.361 -2.362 437 HD2 ARG 54 HD2 ARG 54 -2.479 27.144 -3.857 438 HD3 ARG 54 HD3 ARG 54 -1.093 26.575 -4.788 439 HE ARG 54 HE ARG 54 -0.382 25.999 -2.107 440 HH11 ARG 54 HH11 ARG 54 -3.368 25.044 -3.945 441 HH12 ARG 54 HH12 ARG 54 -3.648 23.874 -2.759 442 HH21 ARG 54 HH21 ARG 54 -0.845 24.659 -0.857 443 HH22 ARG 54 HH22 ARG 54 -2.371 23.845 -0.713 444 H THR 55 H THR 55 -2.482 29.751 -6.918 445 HA THR 55 HA THR 55 -1.409 32.232 -8.068 446 HB THR 55 HB THR 55 -3.181 32.346 -9.549 447 HG1 THR 55 HG1 THR 55 -4.222 30.147 -8.188 448 HG21 THR 55 HG21 THR 55 -2.857 30.052 -10.745 449 HG22 THR 55 HG22 THR 55 -2.118 29.517 -9.201 450 HG23 THR 55 HG23 THR 55 -1.404 30.900 -10.121 451 H LEU 56 H LEU 56 -3.140 34.201 -8.157 452 HA LEU 56 HA LEU 56 -3.788 34.745 -5.333 453 HB2 LEU 56 HB2 LEU 56 -4.279 36.430 -7.856 454 HB3 LEU 56 HB3 LEU 56 -4.123 36.955 -6.107 455 HG LEU 56 HG LEU 56 -1.735 36.009 -7.717 456 HD11 LEU 56 HD11 LEU 56 -0.913 38.284 -7.853 457 HD12 LEU 56 HD12 LEU 56 -2.391 38.748 -6.884 458 HD13 LEU 56 HD13 LEU 56 -2.477 38.256 -8.539 459 HD21 LEU 56 HD21 LEU 56 -0.560 36.904 -5.986 460 HD22 LEU 56 HD22 LEU 56 -1.296 35.412 -5.516 461 HD23 LEU 56 HD23 LEU 56 -1.957 37.026 -4.855 462 H SER 57 H SER 57 -5.469 33.522 -8.224 463 HA SER 57 HA SER 57 -8.105 33.798 -7.399 464 HB2 SER 57 HB2 SER 57 -7.672 33.057 -9.565 465 HB3 SER 57 HB3 SER 57 -6.951 31.511 -9.130 466 HG SER 57 HG SER 57 -8.969 30.971 -8.352 467 H ASP 58 H ASP 58 -5.729 31.234 -6.601 468 HA ASP 58 HA ASP 58 -7.323 29.541 -5.084 469 HB2 ASP 58 HB2 ASP 58 -4.186 29.960 -4.963 470 HB3 ASP 58 HB3 ASP 58 -5.116 28.617 -4.170 471 H TYR 59 H TYR 59 -5.251 32.148 -3.667 472 HA TYR 59 HA TYR 59 -6.543 31.940 -1.160 473 HB2 TYR 59 HB2 TYR 59 -4.521 33.887 -2.543 474 HB3 TYR 59 HB3 TYR 59 -5.115 34.225 -0.922 475 HD1 TYR 59 HD1 TYR 59 -2.542 32.713 -2.748 476 HD2 TYR 59 HD2 TYR 59 -4.999 31.884 0.727 477 HE1 TYR 59 HE1 TYR 59 -1.014 30.983 -2.059 478 HE2 TYR 59 HE2 TYR 59 -3.505 30.223 1.437 479 HH TYR 59 HH TYR 59 -1.667 29.192 1.011 480 H ASN 60 H ASN 60 -7.831 33.356 -3.951 481 HA ASN 60 HA ASN 60 -9.350 34.857 -4.272 482 HB2 ASN 60 HB2 ASN 60 -10.568 33.095 -3.122 483 HB3 ASN 60 HB3 ASN 60 -10.292 33.778 -1.580 484 HD21 ASN 60 HD21 ASN 60 -12.041 34.509 -4.788 485 HD22 ASN 60 HD22 ASN 60 -12.744 35.960 -4.091 486 H ILE 61 H ILE 61 -7.170 36.293 -4.003 487 HA ILE 61 HA ILE 61 -7.594 38.321 -1.969 488 HB ILE 61 HB ILE 61 -5.468 37.817 -4.175 489 HG12 ILE 61 HG12 ILE 61 -5.057 37.413 -1.314 490 HG13 ILE 61 HG13 ILE 61 -5.596 36.014 -2.327 491 HG21 ILE 61 HG21 ILE 61 -5.400 40.184 -3.567 492 HG22 ILE 61 HG22 ILE 61 -4.031 39.505 -2.748 493 HG23 ILE 61 HG23 ILE 61 -5.618 39.900 -1.921 494 HD11 ILE 61 HD11 ILE 61 -3.571 35.938 -3.610 495 HD12 ILE 61 HD12 ILE 61 -3.351 35.772 -1.914 496 HD13 ILE 61 HD13 ILE 61 -2.937 37.395 -2.681 497 H GLN 62 H GLN 62 -8.850 40.103 -2.384 498 HA GLN 62 HA GLN 62 -9.797 40.596 -4.949 499 HB2 GLN 62 HB2 GLN 62 -10.256 42.359 -2.498 500 HB3 GLN 62 HB3 GLN 62 -11.129 42.457 -4.029 501 HG2 GLN 62 HG2 GLN 62 -11.258 40.133 -2.114 502 HG3 GLN 62 HG3 GLN 62 -12.458 41.441 -2.477 503 HE21 GLN 62 HE21 GLN 62 -13.050 41.523 -5.003 504 HE22 GLN 62 HE22 GLN 62 -13.407 39.961 -5.628 505 H LYS 63 H LYS 63 -9.636 42.681 -6.169 506 HA LYS 63 HA LYS 63 -7.152 43.841 -6.266 507 HB2 LYS 63 HB2 LYS 63 -8.373 45.543 -7.709 508 HB3 LYS 63 HB3 LYS 63 -9.071 43.874 -7.881 509 HG2 LYS 63 HG2 LYS 63 -11.120 44.817 -7.754 510 HG3 LYS 63 HG3 LYS 63 -10.888 44.639 -6.140 511 HD2 LYS 63 HD2 LYS 63 -11.774 46.961 -6.591 512 HD3 LYS 63 HD3 LYS 63 -10.207 46.937 -5.741 513 HE2 LYS 63 HE2 LYS 63 -9.106 47.533 -7.844 514 HE3 LYS 63 HE3 LYS 63 -10.609 47.085 -8.697 515 HZ1 LYS 63 HZ1 LYS 63 -10.392 49.345 -8.731 516 HZ2 LYS 63 HZ2 LYS 63 -10.052 49.634 -7.108 517 HZ3 LYS 63 HZ3 LYS 63 -11.556 49.064 -7.587 518 H GLU 64 H GLU 64 -6.237 46.020 -5.417 519 HA GLU 64 HA GLU 64 -5.846 47.445 -3.845 520 HB2 GLU 64 HB2 GLU 64 -8.807 47.804 -3.097 521 HB3 GLU 64 HB3 GLU 64 -7.514 48.765 -2.704 522 HG2 GLU 64 HG2 GLU 64 -6.867 49.346 -5.154 523 HG3 GLU 64 HG3 GLU 64 -8.178 48.303 -5.649 524 H SER 65 H SER 65 -6.709 44.460 -2.846 525 HA SER 65 HA SER 65 -6.096 44.591 -0.163 526 HB2 SER 65 HB2 SER 65 -5.318 42.397 -2.048 527 HB3 SER 65 HB3 SER 65 -5.437 42.284 -0.269 528 HG SER 65 HG SER 65 -7.389 42.334 -2.175 529 H THR 66 H THR 66 -4.366 43.906 1.059 530 HA THR 66 HA THR 66 -1.772 45.033 0.198 531 HB THR 66 HB THR 66 -2.946 45.355 2.930 532 HG1 THR 66 HG1 THR 66 -3.915 46.811 1.671 533 HG21 THR 66 HG21 THR 66 -0.744 46.859 3.062 534 HG22 THR 66 HG22 THR 66 -0.200 45.960 1.571 535 HG23 THR 66 HG23 THR 66 -0.482 45.230 3.174 536 H LEU 67 H LEU 67 -0.431 43.222 0.030 537 HA LEU 67 HA LEU 67 -0.729 41.119 1.888 538 HB2 LEU 67 HB2 LEU 67 1.358 41.421 -0.238 539 HB3 LEU 67 HB3 LEU 67 1.033 40.063 0.930 540 HG LEU 67 HG LEU 67 -0.893 41.141 -1.244 541 HD11 LEU 67 HD11 LEU 67 0.829 38.658 -1.100 542 HD12 LEU 67 HD12 LEU 67 1.276 40.027 -1.996 543 HD13 LEU 67 HD13 LEU 67 -0.201 38.972 -2.456 544 HD21 LEU 67 HD21 LEU 67 -1.160 38.464 0.275 545 HD22 LEU 67 HD22 LEU 67 -2.342 39.275 -0.859 546 HD23 LEU 67 HD23 LEU 67 -2.122 39.896 0.718 547 H HIS 68 H HIS 68 1.003 40.653 3.463 548 HA HIS 68 HA HIS 68 2.897 42.904 3.999 549 HB2 HIS 68 HB2 HIS 68 1.594 41.044 6.007 550 HB3 HIS 68 HB3 HIS 68 3.170 41.772 6.378 551 HD1 HIS 68 HD1 HIS 68 0.544 43.822 4.524 552 HD2 HIS 68 HD2 HIS 68 2.215 43.459 8.282 553 HE1 HIS 68 HE1 HIS 68 -0.204 45.838 5.926 554 H LEU 69 H LEU 69 5.041 42.612 4.254 555 HA LEU 69 HA LEU 69 5.989 39.897 3.615 556 HB2 LEU 69 HB2 LEU 69 6.098 41.268 1.622 557 HB3 LEU 69 HB3 LEU 69 6.855 42.581 2.549 558 HG LEU 69 HG LEU 69 8.827 41.255 3.104 559 HD11 LEU 69 HD11 LEU 69 9.540 39.360 1.862 560 HD12 LEU 69 HD12 LEU 69 8.073 39.457 0.815 561 HD13 LEU 69 HD13 LEU 69 7.971 38.874 2.547 562 HD21 LEU 69 HD21 LEU 69 8.848 42.919 1.224 563 HD22 LEU 69 HD22 LEU 69 8.152 41.733 0.071 564 HD23 LEU 69 HD23 LEU 69 9.776 41.531 0.771 565 H VAL 70 H VAL 70 7.206 38.936 4.919 566 HA VAL 70 HA VAL 70 9.160 40.395 6.447 567 HB VAL 70 HB VAL 70 8.906 38.889 8.353 568 HG11 VAL 70 HG11 VAL 70 7.690 41.056 8.364 569 HG12 VAL 70 HG12 VAL 70 6.751 39.880 9.322 570 HG13 VAL 70 HG13 VAL 70 6.207 40.198 7.668 571 HG21 VAL 70 HG21 VAL 70 6.677 37.530 6.673 572 HG22 VAL 70 HG22 VAL 70 6.793 37.315 8.416 573 HG23 VAL 70 HG23 VAL 70 8.178 36.821 7.511 574 H LEU 71 H LEU 71 11.007 38.965 6.963 575 HA LEU 71 HA LEU 71 11.298 37.112 4.571 576 HB2 LEU 71 HB2 LEU 71 13.601 38.561 5.979 577 HB3 LEU 71 HB3 LEU 71 13.661 37.570 4.549 578 HG LEU 71 HG LEU 71 12.165 40.290 4.769 579 HD11 LEU 71 HD11 LEU 71 14.618 40.660 4.886 580 HD12 LEU 71 HD12 LEU 71 14.218 40.842 3.185 581 HD13 LEU 71 HD13 LEU 71 14.881 39.269 3.834 582 HD21 LEU 71 HD21 LEU 71 11.942 40.092 2.433 583 HD22 LEU 71 HD22 LEU 71 11.262 38.656 3.179 584 HD23 LEU 71 HD23 LEU 71 12.901 38.516 2.375 585 H ARG 72 H ARG 72 12.471 35.273 4.750 586 HA ARG 72 HA ARG 72 12.820 34.150 7.462 587 HB2 ARG 72 HB2 ARG 72 11.714 32.727 5.578 588 HB3 ARG 72 HB3 ARG 72 13.169 32.688 4.686 589 HG2 ARG 72 HG2 ARG 72 12.743 30.707 5.991 590 HG3 ARG 72 HG3 ARG 72 14.320 31.429 6.510 591 HD2 ARG 72 HD2 ARG 72 13.051 32.188 8.591 592 HD3 ARG 72 HD3 ARG 72 11.699 31.118 7.888 593 HE ARG 72 HE ARG 72 14.163 29.619 7.946 594 HH11 ARG 72 HH11 ARG 72 11.683 30.653 10.062 595 HH12 ARG 72 HH12 ARG 72 11.769 29.193 10.998 596 HH21 ARG 72 HH21 ARG 72 14.547 28.016 9.486 597 HH22 ARG 72 HH22 ARG 72 13.371 27.909 10.744 598 H LEU 73 H LEU 73 14.800 34.701 8.189 599 HA LEU 73 HA LEU 73 16.878 35.623 6.669 600 HB2 LEU 73 HB2 LEU 73 16.399 35.028 9.673 601 HB3 LEU 73 HB3 LEU 73 18.041 35.325 9.039 602 HG LEU 73 HG LEU 73 15.955 37.180 8.286 603 HD11 LEU 73 HD11 LEU 73 17.439 37.437 10.970 604 HD12 LEU 73 HD12 LEU 73 15.728 36.855 10.822 605 HD13 LEU 73 HD13 LEU 73 16.183 38.488 10.232 606 HD21 LEU 73 HD21 LEU 73 18.067 37.519 7.279 607 HD22 LEU 73 HD22 LEU 73 18.892 37.727 8.805 608 HD23 LEU 73 HD23 LEU 73 17.559 38.883 8.311 609 H ARG 74 H ARG 74 18.901 34.631 6.021 610 HA ARG 74 HA ARG 74 18.532 32.032 5.539 611 HB2 ARG 74 HB2 ARG 74 21.012 33.529 5.107 612 HB3 ARG 74 HB3 ARG 74 20.915 31.762 4.845 613 HG2 ARG 74 HG2 ARG 74 19.088 31.969 3.309 614 HG3 ARG 74 HG3 ARG 74 19.064 33.802 3.567 615 HD2 ARG 74 HD2 ARG 74 21.515 33.754 2.621 616 HD3 ARG 74 HD3 ARG 74 21.041 32.162 1.977 617 HE ARG 74 HE ARG 74 20.127 34.809 1.125 618 HH11 ARG 74 HH11 ARG 74 18.990 31.557 1.223 619 HH12 ARG 74 HH12 ARG 74 18.085 31.788 -0.302 620 HH21 ARG 74 HH21 ARG 74 18.974 35.066 -0.540 621 HH22 ARG 74 HH22 ARG 74 17.871 33.808 -1.166 622 H GLY 75 H GLY 75 19.711 30.073 5.883 623 HA2 GLY 75 HA2 GLY 75 21.448 28.998 7.117 624 HA3 GLY 75 HA3 GLY 75 20.871 29.814 8.568 625 H GLY 76 H GLY 76 18.043 29.115 7.014 626 HA2 GLY 76 HA2 GLY 76 17.280 27.167 6.126 627 HA3 GLY 76 HA3 GLY 76 17.795 26.260 7.622 Start of MODEL 5 1 H MET 1 HT1 MET 1 -5.387 42.807 -11.745 2 HA MET 1 HA MET 1 -6.803 45.125 -10.641 3 HB2 MET 1 HB2 MET 1 -7.843 43.958 -9.111 4 HB3 MET 1 HB3 MET 1 -7.806 42.775 -10.301 5 HG2 MET 1 HG2 MET 1 -5.594 42.908 -8.073 6 HG3 MET 1 HG3 MET 1 -7.205 42.357 -7.854 7 HE1 MET 1 HE1 MET 1 -5.435 40.158 -6.936 8 HE2 MET 1 HE2 MET 1 -5.324 38.793 -8.140 9 HE3 MET 1 HE3 MET 1 -6.853 39.408 -7.527 10 H GLN 2 H GLN 2 -5.831 46.313 -8.953 11 HA GLN 2 HA GLN 2 -2.918 45.939 -8.745 12 HB2 GLN 2 HB2 GLN 2 -2.624 48.164 -8.032 13 HB3 GLN 2 HB3 GLN 2 -3.788 48.099 -9.417 14 HG2 GLN 2 HG2 GLN 2 -5.684 48.288 -7.714 15 HG3 GLN 2 HG3 GLN 2 -4.442 48.509 -6.437 16 HE21 GLN 2 HE21 GLN 2 -5.716 49.950 -9.453 17 HE22 GLN 2 HE22 GLN 2 -5.385 51.593 -8.949 18 H ILE 3 H ILE 3 -1.787 45.277 -6.924 19 HA ILE 3 HA ILE 3 -3.334 45.040 -4.324 20 HB ILE 3 HB ILE 3 -1.818 43.100 -3.838 21 HG12 ILE 3 HG12 ILE 3 -1.017 43.112 -6.672 22 HG13 ILE 3 HG13 ILE 3 -0.025 43.849 -5.472 23 HG21 ILE 3 HG21 ILE 3 -3.463 42.500 -6.287 24 HG22 ILE 3 HG22 ILE 3 -4.181 42.804 -4.624 25 HG23 ILE 3 HG23 ILE 3 -2.910 41.529 -4.927 26 HD11 ILE 3 HD11 ILE 3 -0.012 41.710 -4.065 27 HD12 ILE 3 HD12 ILE 3 0.704 41.482 -5.718 28 HD13 ILE 3 HD13 ILE 3 -0.873 40.814 -5.362 29 H PHE 4 H PHE 4 -2.059 45.200 -2.376 30 HA PHE 4 HA PHE 4 0.305 46.870 -2.873 31 HB2 PHE 4 HB2 PHE 4 -1.964 46.843 -0.752 32 HB3 PHE 4 HB3 PHE 4 -0.713 47.926 -0.523 33 HD1 PHE 4 HD1 PHE 4 -3.801 48.063 -1.088 34 HD2 PHE 4 HD2 PHE 4 -0.437 48.975 -3.462 35 HE1 PHE 4 HE1 PHE 4 -5.097 49.924 -2.173 36 HE2 PHE 4 HE2 PHE 4 -1.727 50.775 -4.598 37 HZ PHE 4 HZ PHE 4 -4.076 51.242 -3.867 38 H VAL 5 H VAL 5 2.099 46.139 -1.738 39 HA VAL 5 HA VAL 5 1.807 44.010 0.303 40 HB VAL 5 HB VAL 5 4.216 44.523 -1.453 41 HG11 VAL 5 HG11 VAL 5 4.901 43.372 0.594 42 HG12 VAL 5 HG12 VAL 5 4.747 42.175 -0.741 43 HG13 VAL 5 HG13 VAL 5 3.517 42.232 0.468 44 HG21 VAL 5 HG21 VAL 5 1.946 42.496 -1.927 45 HG22 VAL 5 HG22 VAL 5 3.503 42.509 -2.843 46 HG23 VAL 5 HG23 VAL 5 2.374 43.885 -2.978 47 H LYS 6 H LYS 6 2.592 44.753 2.379 48 HA LYS 6 HA LYS 6 4.403 46.977 2.549 49 HB2 LYS 6 HB2 LYS 6 3.135 45.158 4.496 50 HB3 LYS 6 HB3 LYS 6 4.328 46.248 5.178 51 HG2 LYS 6 HG2 LYS 6 1.675 46.972 3.902 52 HG3 LYS 6 HG3 LYS 6 2.058 46.928 5.622 53 HD2 LYS 6 HD2 LYS 6 3.929 48.774 5.225 54 HD3 LYS 6 HD3 LYS 6 3.160 48.903 3.593 55 HE2 LYS 6 HE2 LYS 6 0.992 49.601 4.892 56 HE3 LYS 6 HE3 LYS 6 2.182 49.675 6.299 57 HZ1 LYS 6 HZ1 LYS 6 2.419 51.166 3.685 58 HZ2 LYS 6 HZ2 LYS 6 3.609 51.082 4.969 59 HZ3 LYS 6 HZ3 LYS 6 2.093 51.806 5.190 60 H THR 7 H THR 7 6.511 46.867 2.376 61 HA THR 7 HA THR 7 7.858 44.354 2.807 62 HB THR 7 HB THR 7 9.716 45.123 1.379 63 HG1 THR 7 HG1 THR 7 9.329 47.365 1.767 64 HG21 THR 7 HG21 THR 7 7.545 44.048 0.490 65 HG22 THR 7 HG22 THR 7 8.418 45.117 -0.678 66 HG23 THR 7 HG23 THR 7 6.988 45.694 0.174 67 H LEU 8 H LEU 8 10.426 44.800 3.494 68 HA LEU 8 HA LEU 8 10.187 44.677 6.166 69 HB2 LEU 8 HB2 LEU 8 12.781 45.848 5.006 70 HB3 LEU 8 HB3 LEU 8 12.502 44.706 6.323 71 HG LEU 8 HG LEU 8 12.230 44.177 3.405 72 HD11 LEU 8 HD11 LEU 8 14.356 42.930 3.442 73 HD12 LEU 8 HD12 LEU 8 14.322 43.099 5.260 74 HD13 LEU 8 HD13 LEU 8 14.623 44.510 4.277 75 HD21 LEU 8 HD21 LEU 8 12.008 42.244 5.761 76 HD22 LEU 8 HD22 LEU 8 11.849 41.822 3.974 77 HD23 LEU 8 HD23 LEU 8 10.660 42.792 4.730 78 H THR 9 H THR 9 11.069 47.937 4.686 79 HA THR 9 HA THR 9 11.382 48.995 7.341 80 HB THR 9 HB THR 9 11.389 51.133 6.141 81 HG1 THR 9 HG1 THR 9 11.595 51.211 4.007 82 HG21 THR 9 HG21 THR 9 13.317 49.114 4.781 83 HG22 THR 9 HG22 THR 9 13.424 49.736 6.490 84 HG23 THR 9 HG23 THR 9 13.449 50.831 5.020 85 H GLY 10 H GLY 10 8.394 48.226 5.721 86 HA2 GLY 10 HA2 GLY 10 6.382 48.773 6.749 87 HA3 GLY 10 HA3 GLY 10 7.120 50.276 7.336 88 H LYS 11 H LYS 11 8.076 50.461 4.420 89 HA LYS 11 HA LYS 11 6.088 52.167 3.363 90 HB2 LYS 11 HB2 LYS 11 7.220 52.008 1.141 91 HB3 LYS 11 HB3 LYS 11 8.472 52.053 2.409 92 HG2 LYS 11 HG2 LYS 11 8.635 49.500 2.210 93 HG3 LYS 11 HG3 LYS 11 7.533 49.671 0.847 94 HD2 LYS 11 HD2 LYS 11 10.394 50.657 1.229 95 HD3 LYS 11 HD3 LYS 11 9.945 49.385 0.082 96 HE2 LYS 11 HE2 LYS 11 8.845 51.096 -1.386 97 HE3 LYS 11 HE3 LYS 11 9.298 52.362 -0.097 98 HZ1 LYS 11 HZ1 LYS 11 11.055 50.524 -1.555 99 HZ2 LYS 11 HZ2 LYS 11 11.564 51.591 -0.401 100 HZ3 LYS 11 HZ3 LYS 11 10.925 52.206 -1.871 101 H THR 12 H THR 12 4.737 51.817 1.229 102 HA THR 12 HA THR 12 3.725 49.055 1.084 103 HB THR 12 HB THR 12 2.357 51.618 0.065 104 HG1 THR 12 HG1 THR 12 1.037 50.975 1.853 105 HG21 THR 12 HG21 THR 12 0.291 50.091 -0.176 106 HG22 THR 12 HG22 THR 12 1.130 48.661 0.367 107 HG23 THR 12 HG23 THR 12 1.632 49.370 -1.125 108 H ILE 13 H ILE 13 4.208 47.939 -0.638 109 HA ILE 13 HA ILE 13 4.861 49.465 -3.102 110 HB ILE 13 HB ILE 13 5.275 46.584 -2.133 111 HG12 ILE 13 HG12 ILE 13 7.079 47.924 -1.160 112 HG13 ILE 13 HG13 ILE 13 7.685 46.888 -2.518 113 HG21 ILE 13 HG21 ILE 13 6.535 46.068 -4.233 114 HG22 ILE 13 HG22 ILE 13 5.930 47.574 -4.940 115 HG23 ILE 13 HG23 ILE 13 4.808 46.231 -4.455 116 HD11 ILE 13 HD11 ILE 13 7.664 48.691 -4.169 117 HD12 ILE 13 HD12 ILE 13 8.717 49.149 -2.814 118 HD13 ILE 13 HD13 ILE 13 7.133 49.848 -2.980 119 H THR 14 H THR 14 3.452 49.776 -4.664 120 HA THR 14 HA THR 14 1.158 47.835 -4.849 121 HB THR 14 HB THR 14 1.696 50.216 -6.712 122 HG1 THR 14 HG1 THR 14 1.698 50.796 -4.486 123 HG21 THR 14 HG21 THR 14 -0.788 50.330 -6.988 124 HG22 THR 14 HG22 THR 14 -0.996 48.915 -6.061 125 HG23 THR 14 HG23 THR 14 -0.074 48.782 -7.588 126 H LEU 15 H LEU 15 0.855 46.390 -6.281 127 HA LEU 15 HA LEU 15 2.624 46.089 -8.677 128 HB2 LEU 15 HB2 LEU 15 1.740 43.879 -6.836 129 HB3 LEU 15 HB3 LEU 15 2.519 43.599 -8.354 130 HG LEU 15 HG LEU 15 3.563 45.085 -5.751 131 HD11 LEU 15 HD11 LEU 15 4.520 43.182 -4.872 132 HD12 LEU 15 HD12 LEU 15 4.600 42.360 -6.424 133 HD13 LEU 15 HD13 LEU 15 3.008 42.464 -5.569 134 HD21 LEU 15 HD21 LEU 15 5.446 44.023 -7.963 135 HD22 LEU 15 HD22 LEU 15 5.718 45.179 -6.628 136 HD23 LEU 15 HD23 LEU 15 4.934 45.662 -8.091 137 H GLU 16 H GLU 16 1.247 46.007 -10.604 138 HA GLU 16 HA GLU 16 -1.536 45.314 -10.483 139 HB2 GLU 16 HB2 GLU 16 0.048 45.898 -12.909 140 HB3 GLU 16 HB3 GLU 16 -1.684 45.745 -12.846 141 HG2 GLU 16 HG2 GLU 16 -2.046 47.649 -11.409 142 HG3 GLU 16 HG3 GLU 16 -0.287 47.910 -11.242 143 H VAL 17 H VAL 17 -2.193 43.397 -10.415 144 HA VAL 17 HA VAL 17 -0.722 41.160 -11.787 145 HB VAL 17 HB VAL 17 -1.143 39.864 -9.791 146 HG11 VAL 17 HG11 VAL 17 0.523 40.564 -8.443 147 HG12 VAL 17 HG12 VAL 17 0.465 42.308 -8.965 148 HG13 VAL 17 HG13 VAL 17 1.022 41.070 -10.104 149 HG21 VAL 17 HG21 VAL 17 -1.965 41.074 -7.749 150 HG22 VAL 17 HG22 VAL 17 -3.171 41.230 -8.937 151 HG23 VAL 17 HG23 VAL 17 -2.014 42.625 -8.554 152 H GLU 18 H GLU 18 -2.132 39.089 -11.955 153 HA GLU 18 HA GLU 18 -5.032 39.666 -12.450 154 HB2 GLU 18 HB2 GLU 18 -3.134 37.566 -13.781 155 HB3 GLU 18 HB3 GLU 18 -4.770 37.749 -14.213 156 HG2 GLU 18 HG2 GLU 18 -4.265 40.223 -14.787 157 HG3 GLU 18 HG3 GLU 18 -2.523 39.761 -14.650 158 HA PRO 19 HA PRO 19 -5.752 36.655 -9.341 159 HB2 PRO 19 HB2 PRO 19 -8.087 35.433 -10.993 160 HB3 PRO 19 HB3 PRO 19 -8.074 36.087 -9.311 161 HG2 PRO 19 HG2 PRO 19 -9.094 37.467 -11.516 162 HG3 PRO 19 HG3 PRO 19 -8.232 38.436 -10.227 163 HD2 PRO 19 HD2 PRO 19 -7.236 37.390 -12.892 164 HD3 PRO 19 HD3 PRO 19 -6.945 39.015 -12.058 165 H SER 20 H SER 20 -5.137 35.557 -12.513 166 HA SER 20 HA SER 20 -4.508 32.954 -11.740 167 HB2 SER 20 HB2 SER 20 -4.192 32.814 -14.219 168 HB3 SER 20 HB3 SER 20 -5.889 33.150 -13.796 169 HG SER 20 HG SER 20 -4.005 34.864 -14.910 170 H ASP 21 H ASP 21 -2.853 35.645 -11.146 171 HA ASP 21 HA ASP 21 -0.414 34.910 -12.454 172 HB2 ASP 21 HB2 ASP 21 -1.015 37.432 -10.768 173 HB3 ASP 21 HB3 ASP 21 0.638 37.048 -11.197 174 H THR 22 H THR 22 0.951 33.462 -11.388 175 HA THR 22 HA THR 22 0.334 32.653 -8.741 176 HB THR 22 HB THR 22 2.477 31.342 -8.650 177 HG1 THR 22 HG1 THR 22 2.748 32.327 -11.244 178 HG21 THR 22 HG21 THR 22 1.763 29.630 -9.932 179 HG22 THR 22 HG22 THR 22 0.765 30.774 -11.078 180 HG23 THR 22 HG23 THR 22 0.246 30.314 -9.469 181 H ILE 23 H ILE 23 1.382 32.761 -6.728 182 HA ILE 23 HA ILE 23 2.578 35.185 -6.039 183 HB ILE 23 HB ILE 23 2.453 32.526 -4.647 184 HG12 ILE 23 HG12 ILE 23 0.175 33.736 -5.069 185 HG13 ILE 23 HG13 ILE 23 0.573 33.299 -3.463 186 HG21 ILE 23 HG21 ILE 23 4.257 33.731 -3.458 187 HG22 ILE 23 HG22 ILE 23 2.924 34.170 -2.452 188 HG23 ILE 23 HG23 ILE 23 3.476 35.310 -3.618 189 HD11 ILE 23 HD11 ILE 23 -0.551 35.478 -3.822 190 HD12 ILE 23 HD12 ILE 23 1.009 36.049 -4.576 191 HD13 ILE 23 HD13 ILE 23 0.990 35.623 -2.849 192 H GLU 24 H GLU 24 4.128 32.316 -7.216 193 HA GLU 24 HA GLU 24 6.719 32.973 -6.765 194 HB2 GLU 24 HB2 GLU 24 6.154 31.018 -7.726 195 HB3 GLU 24 HB3 GLU 24 5.220 31.671 -9.007 196 HG2 GLU 24 HG2 GLU 24 7.529 32.396 -10.096 197 HG3 GLU 24 HG3 GLU 24 8.365 31.805 -8.648 198 H ASN 25 H ASN 25 4.696 34.350 -9.406 199 HA ASN 25 HA ASN 25 6.787 35.981 -10.438 200 HB2 ASN 25 HB2 ASN 25 3.733 36.149 -10.966 201 HB3 ASN 25 HB3 ASN 25 4.995 37.190 -11.723 202 HD21 ASN 25 HD21 ASN 25 4.285 36.346 -13.693 203 HD22 ASN 25 HD22 ASN 25 4.931 34.818 -14.273 204 H VAL 26 H VAL 26 4.134 36.552 -8.107 205 HA VAL 26 HA VAL 26 4.548 39.151 -7.722 206 HB VAL 26 HB VAL 26 3.706 36.957 -5.646 207 HG11 VAL 26 HG11 VAL 26 2.614 39.052 -4.513 208 HG12 VAL 26 HG12 VAL 26 3.707 40.038 -5.484 209 HG13 VAL 26 HG13 VAL 26 4.409 38.869 -4.265 210 HG21 VAL 26 HG21 VAL 26 1.897 38.989 -7.022 211 HG22 VAL 26 HG22 VAL 26 1.318 37.841 -5.866 212 HG23 VAL 26 HG23 VAL 26 1.901 37.286 -7.510 213 H LYS 27 H LYS 27 6.194 36.454 -6.060 214 HA LYS 27 HA LYS 27 8.232 37.923 -4.744 215 HB2 LYS 27 HB2 LYS 27 8.124 35.110 -5.659 216 HB3 LYS 27 HB3 LYS 27 9.480 35.715 -4.553 217 HG2 LYS 27 HG2 LYS 27 7.965 36.205 -2.774 218 HG3 LYS 27 HG3 LYS 27 6.500 35.953 -3.709 219 HD2 LYS 27 HD2 LYS 27 6.830 33.460 -3.585 220 HD3 LYS 27 HD3 LYS 27 8.544 33.778 -3.327 221 HE2 LYS 27 HE2 LYS 27 7.882 34.779 -0.956 222 HE3 LYS 27 HE3 LYS 27 6.225 34.380 -1.365 223 HZ1 LYS 27 HZ1 LYS 27 8.557 32.588 -0.918 224 HZ2 LYS 27 HZ2 LYS 27 7.169 32.060 -1.630 225 HZ3 LYS 27 HZ3 LYS 27 7.075 32.646 -0.079 226 H ALA 28 H ALA 28 8.516 36.341 -7.959 227 HA ALA 28 HA ALA 28 11.014 37.164 -8.801 228 HB1 ALA 28 HB1 ALA 28 8.608 37.176 -10.623 229 HB2 ALA 28 HB2 ALA 28 9.305 35.678 -9.965 230 HB3 ALA 28 HB3 ALA 28 10.292 36.781 -10.937 231 H LYS 29 H LYS 29 8.014 39.053 -8.861 232 HA LYS 29 HA LYS 29 9.139 41.541 -9.706 233 HB2 LYS 29 HB2 LYS 29 6.597 40.788 -8.306 234 HB3 LYS 29 HB3 LYS 29 7.001 42.418 -8.458 235 HG2 LYS 29 HG2 LYS 29 6.916 42.265 -11.055 236 HG3 LYS 29 HG3 LYS 29 6.588 40.548 -10.928 237 HD2 LYS 29 HD2 LYS 29 4.637 41.304 -9.393 238 HD3 LYS 29 HD3 LYS 29 4.842 42.935 -10.145 239 HE2 LYS 29 HE2 LYS 29 4.223 40.285 -11.478 240 HE3 LYS 29 HE3 LYS 29 3.157 41.729 -11.423 241 HZ1 LYS 29 HZ1 LYS 29 5.699 41.487 -13.008 242 HZ2 LYS 29 HZ2 LYS 29 4.834 42.854 -12.688 243 HZ3 LYS 29 HZ3 LYS 29 4.076 41.540 -13.520 244 H ILE 30 H ILE 30 8.683 40.361 -6.322 245 HA ILE 30 HA ILE 30 9.419 42.913 -5.308 246 HB ILE 30 HB ILE 30 8.966 40.177 -4.217 247 HG12 ILE 30 HG12 ILE 30 7.438 42.668 -3.386 248 HG13 ILE 30 HG13 ILE 30 7.069 41.809 -4.940 249 HG21 ILE 30 HG21 ILE 30 10.773 41.295 -2.794 250 HG22 ILE 30 HG22 ILE 30 9.416 40.752 -1.972 251 HG23 ILE 30 HG23 ILE 30 9.549 42.561 -2.435 252 HD11 ILE 30 HD11 ILE 30 7.209 40.060 -2.533 253 HD12 ILE 30 HD12 ILE 30 5.978 40.082 -3.827 254 HD13 ILE 30 HD13 ILE 30 6.123 41.382 -2.516 255 H GLN 31 H GLN 31 11.177 40.032 -6.288 256 HA GLN 31 HA GLN 31 13.801 40.727 -5.206 257 HB2 GLN 31 HB2 GLN 31 13.766 38.438 -5.704 258 HB3 GLN 31 HB3 GLN 31 12.659 38.787 -7.132 259 HG2 GLN 31 HG2 GLN 31 14.560 38.003 -8.250 260 HG3 GLN 31 HG3 GLN 31 14.754 39.667 -8.380 261 HE21 GLN 31 HE21 GLN 31 15.851 40.746 -6.206 262 HE22 GLN 31 HE22 GLN 31 17.169 39.768 -5.548 263 H ASP 32 H ASP 32 12.352 41.357 -8.429 264 HA ASP 32 HA ASP 32 14.582 42.853 -9.167 265 HB2 ASP 32 HB2 ASP 32 11.588 42.880 -9.850 266 HB3 ASP 32 HB3 ASP 32 12.577 44.032 -10.746 267 H LYS 33 H LYS 33 11.464 43.961 -7.747 268 HA LYS 33 HA LYS 33 12.141 46.679 -7.835 269 HB2 LYS 33 HB2 LYS 33 9.867 45.412 -6.169 270 HB3 LYS 33 HB3 LYS 33 10.266 47.168 -6.369 271 HG2 LYS 33 HG2 LYS 33 9.429 45.297 -8.641 272 HG3 LYS 33 HG3 LYS 33 8.324 46.320 -7.713 273 HD2 LYS 33 HD2 LYS 33 10.541 47.355 -9.424 274 HD3 LYS 33 HD3 LYS 33 8.860 47.329 -9.834 275 HE2 LYS 33 HE2 LYS 33 8.268 49.042 -8.067 276 HE3 LYS 33 HE3 LYS 33 10.007 49.024 -7.581 277 HZ1 LYS 33 HZ1 LYS 33 9.411 50.792 -8.891 278 HZ2 LYS 33 HZ2 LYS 33 8.634 49.831 -9.991 279 HZ3 LYS 33 HZ3 LYS 33 10.289 49.841 -9.982 280 H GLU 34 H GLU 34 12.261 44.619 -4.830 281 HA GLU 34 HA GLU 34 13.350 46.962 -3.363 282 HB2 GLU 34 HB2 GLU 34 11.440 44.721 -2.801 283 HB3 GLU 34 HB3 GLU 34 12.387 45.456 -1.451 284 HG2 GLU 34 HG2 GLU 34 10.466 46.961 -3.238 285 HG3 GLU 34 HG3 GLU 34 10.071 46.361 -1.613 286 H GLY 35 H GLY 35 14.010 43.610 -4.447 287 HA2 GLY 35 HA2 GLY 35 16.251 43.102 -4.839 288 HA3 GLY 35 HA3 GLY 35 16.750 44.066 -3.351 289 H ILE 36 H ILE 36 14.119 42.184 -2.648 290 HA ILE 36 HA ILE 36 15.684 40.676 -0.863 291 HB ILE 36 HB ILE 36 12.919 40.149 -1.825 292 HG12 ILE 36 HG12 ILE 36 12.864 42.344 -1.017 293 HG13 ILE 36 HG13 ILE 36 12.318 41.288 0.367 294 HG21 ILE 36 HG21 ILE 36 12.742 38.915 0.526 295 HG22 ILE 36 HG22 ILE 36 14.604 39.275 0.646 296 HG23 ILE 36 HG23 ILE 36 14.003 38.207 -0.487 297 HD11 ILE 36 HD11 ILE 36 14.628 41.579 1.409 298 HD12 ILE 36 HD12 ILE 36 13.610 43.023 1.302 299 HD13 ILE 36 HD13 ILE 36 15.035 42.838 0.262 300 HA PRO 37 HA PRO 37 16.808 37.278 -3.640 301 HB2 PRO 37 HB2 PRO 37 16.936 36.072 -0.833 302 HB3 PRO 37 HB3 PRO 37 17.876 35.479 -2.233 303 HG2 PRO 37 HG2 PRO 37 19.049 37.242 -0.604 304 HG3 PRO 37 HG3 PRO 37 18.950 37.878 -2.265 305 HD2 PRO 37 HD2 PRO 37 16.969 38.363 -0.057 306 HD3 PRO 37 HD3 PRO 37 17.753 39.590 -1.053 307 HA PRO 38 HA PRO 38 12.838 35.332 -3.652 308 HB2 PRO 38 HB2 PRO 38 13.887 33.033 -5.331 309 HB3 PRO 38 HB3 PRO 38 12.477 34.040 -5.727 310 HG2 PRO 38 HG2 PRO 38 14.958 34.706 -6.935 311 HG3 PRO 38 HG3 PRO 38 13.789 36.000 -6.439 312 HD2 PRO 38 HD2 PRO 38 16.354 34.956 -4.976 313 HD3 PRO 38 HD3 PRO 38 15.642 36.618 -5.316 314 H ASP 39 H ASP 39 15.237 33.010 -2.485 315 HA ASP 39 HA ASP 39 13.191 31.513 -0.986 316 HB2 ASP 39 HB2 ASP 39 14.904 30.144 -0.134 317 HB3 ASP 39 HB3 ASP 39 15.112 30.284 -1.940 318 H GLN 40 H GLN 40 14.846 34.407 -0.406 319 HA GLN 40 HA GLN 40 14.243 34.139 2.549 320 HB2 GLN 40 HB2 GLN 40 15.610 36.468 1.013 321 HB3 GLN 40 HB3 GLN 40 15.159 36.321 2.772 322 HG2 GLN 40 HG2 GLN 40 16.724 34.357 2.960 323 HG3 GLN 40 HG3 GLN 40 17.021 34.485 1.220 324 HE21 GLN 40 HE21 GLN 40 17.221 36.300 4.298 325 HE22 GLN 40 HE22 GLN 40 18.721 37.100 3.906 326 H GLN 41 H GLN 41 12.149 34.499 0.133 327 HA GLN 41 HA GLN 41 10.780 36.867 1.272 328 HB2 GLN 41 HB2 GLN 41 10.126 35.049 -1.187 329 HB3 GLN 41 HB3 GLN 41 9.174 36.476 -0.639 330 HG2 GLN 41 HG2 GLN 41 11.617 37.687 -0.805 331 HG3 GLN 41 HG3 GLN 41 11.995 36.488 -1.915 332 HE21 GLN 41 HE21 GLN 41 12.194 37.929 -3.703 333 HE22 GLN 41 HE22 GLN 41 10.836 38.749 -4.341 334 H ARG 42 H ARG 42 9.374 36.493 3.116 335 HA ARG 42 HA ARG 42 7.639 34.142 2.607 336 HB2 ARG 42 HB2 ARG 42 8.762 35.449 5.198 337 HB3 ARG 42 HB3 ARG 42 7.326 34.342 5.222 338 HG2 ARG 42 HG2 ARG 42 9.939 33.756 3.835 339 HG3 ARG 42 HG3 ARG 42 9.783 33.433 5.596 340 HD2 ARG 42 HD2 ARG 42 7.767 32.247 3.585 341 HD3 ARG 42 HD3 ARG 42 9.221 31.341 4.131 342 HE ARG 42 HE ARG 42 7.761 32.174 6.504 343 HH11 ARG 42 HH11 ARG 42 7.194 29.871 3.876 344 HH12 ARG 42 HH12 ARG 42 6.789 28.640 5.055 345 HH21 ARG 42 HH21 ARG 42 7.143 30.700 7.835 346 HH22 ARG 42 HH22 ARG 42 6.688 29.115 7.302 347 H LEU 43 H LEU 43 5.660 34.889 2.012 348 HA LEU 43 HA LEU 43 4.977 37.809 2.451 349 HB2 LEU 43 HB2 LEU 43 5.595 37.117 0.071 350 HB3 LEU 43 HB3 LEU 43 4.466 35.710 0.258 351 HG LEU 43 HG LEU 43 2.687 37.277 0.129 352 HD11 LEU 43 HD11 LEU 43 3.624 39.161 1.332 353 HD12 LEU 43 HD12 LEU 43 2.904 39.782 -0.179 354 HD13 LEU 43 HD13 LEU 43 4.655 39.601 -0.037 355 HD21 LEU 43 HD21 LEU 43 3.183 38.432 -2.144 356 HD22 LEU 43 HD22 LEU 43 3.438 36.722 -2.049 357 HD23 LEU 43 HD23 LEU 43 4.883 37.863 -1.855 358 H ILE 44 H ILE 44 3.151 38.109 3.643 359 HA ILE 44 HA ILE 44 1.335 35.856 4.196 360 HB ILE 44 HB ILE 44 1.546 38.354 5.964 361 HG12 ILE 44 HG12 ILE 44 2.823 36.512 7.432 362 HG13 ILE 44 HG13 ILE 44 3.224 35.776 5.854 363 HG21 ILE 44 HG21 ILE 44 0.566 36.918 7.736 364 HG22 ILE 44 HG22 ILE 44 0.706 35.541 6.642 365 HG23 ILE 44 HG23 ILE 44 -0.545 36.839 6.409 366 HD11 ILE 44 HD11 ILE 44 4.593 37.778 5.298 367 HD12 ILE 44 HD12 ILE 44 5.087 37.099 6.914 368 HD13 ILE 44 HD13 ILE 44 4.182 38.597 6.802 369 H PHE 45 H PHE 45 -0.974 36.172 4.159 370 HA PHE 45 HA PHE 45 -1.855 38.828 3.889 371 HB2 PHE 45 HB2 PHE 45 -2.127 38.446 1.508 372 HB3 PHE 45 HB3 PHE 45 -2.608 36.805 1.812 373 HD1 PHE 45 HD1 PHE 45 -3.344 40.402 1.990 374 HD2 PHE 45 HD2 PHE 45 -5.160 36.541 2.006 375 HE1 PHE 45 HE1 PHE 45 -5.548 41.471 2.247 376 HE2 PHE 45 HE2 PHE 45 -7.345 37.552 2.405 377 HZ PHE 45 HZ PHE 45 -7.624 39.930 2.625 378 H ALA 46 H ALA 46 -3.157 38.845 5.884 379 HA ALA 46 HA ALA 46 -4.351 38.230 7.438 380 HB1 ALA 46 HB1 ALA 46 -5.733 38.981 5.499 381 HB2 ALA 46 HB2 ALA 46 -6.704 37.978 6.779 382 HB3 ALA 46 HB3 ALA 46 -6.148 37.260 5.301 383 H GLY 47 H GLY 47 -2.720 36.509 7.929 384 HA2 GLY 47 HA2 GLY 47 -2.337 34.623 9.192 385 HA3 GLY 47 HA3 GLY 47 -4.082 34.315 9.100 386 H LYS 48 H LYS 48 -3.136 34.505 5.896 387 HA LYS 48 HA LYS 48 -2.272 31.630 5.824 388 HB2 LYS 48 HB2 LYS 48 -3.496 33.226 3.607 389 HB3 LYS 48 HB3 LYS 48 -2.978 31.501 3.483 390 HG2 LYS 48 HG2 LYS 48 -4.540 31.070 5.686 391 HG3 LYS 48 HG3 LYS 48 -5.290 32.592 5.125 392 HD2 LYS 48 HD2 LYS 48 -5.550 31.646 2.874 393 HD3 LYS 48 HD3 LYS 48 -5.203 30.008 3.628 394 HE2 LYS 48 HE2 LYS 48 -7.486 31.856 4.382 395 HE3 LYS 48 HE3 LYS 48 -7.574 30.396 3.347 396 HZ1 LYS 48 HZ1 LYS 48 -6.316 29.428 5.486 397 HZ2 LYS 48 HZ2 LYS 48 -8.069 29.487 5.323 398 HZ3 LYS 48 HZ3 LYS 48 -7.200 30.667 6.191 399 H GLN 49 H GLN 49 -0.170 31.569 5.834 400 HA GLN 49 HA GLN 49 1.629 33.417 4.475 401 HB2 GLN 49 HB2 GLN 49 2.354 31.561 6.251 402 HB3 GLN 49 HB3 GLN 49 1.903 30.411 5.117 403 HG2 GLN 49 HG2 GLN 49 4.310 30.719 5.177 404 HG3 GLN 49 HG3 GLN 49 3.731 31.206 3.535 405 HE21 GLN 49 HE21 GLN 49 4.021 33.015 6.681 406 HE22 GLN 49 HE22 GLN 49 5.241 33.995 6.094 407 H LEU 50 H LEU 50 1.811 33.624 2.228 408 HA LEU 50 HA LEU 50 0.092 31.858 0.605 409 HB2 LEU 50 HB2 LEU 50 1.499 34.399 -0.431 410 HB3 LEU 50 HB3 LEU 50 0.154 33.558 -1.214 411 HG LEU 50 HG LEU 50 0.014 35.006 1.469 412 HD11 LEU 50 HD11 LEU 50 -1.135 36.856 0.345 413 HD12 LEU 50 HD12 LEU 50 -1.360 35.833 -1.172 414 HD13 LEU 50 HD13 LEU 50 0.237 36.458 -0.777 415 HD21 LEU 50 HD21 LEU 50 -1.532 33.095 1.278 416 HD22 LEU 50 HD22 LEU 50 -2.390 33.968 -0.067 417 HD23 LEU 50 HD23 LEU 50 -2.312 34.679 1.545 418 H GLU 51 H GLU 51 0.769 30.300 -0.618 419 HA GLU 51 HA GLU 51 3.563 29.757 -0.685 420 HB2 GLU 51 HB2 GLU 51 1.272 27.806 -0.988 421 HB3 GLU 51 HB3 GLU 51 3.033 27.507 -1.239 422 HG2 GLU 51 HG2 GLU 51 3.345 28.654 1.041 423 HG3 GLU 51 HG3 GLU 51 1.675 28.424 1.421 424 H ASP 52 H ASP 52 4.905 29.252 -2.387 425 HA ASP 52 HA ASP 52 4.662 31.025 -4.367 426 HB2 ASP 52 HB2 ASP 52 6.604 28.572 -4.504 427 HB3 ASP 52 HB3 ASP 52 6.761 29.948 -5.580 428 H GLY 53 H GLY 53 3.710 27.602 -5.080 429 HA2 GLY 53 HA2 GLY 53 3.337 28.219 -7.888 430 HA3 GLY 53 HA3 GLY 53 2.940 26.680 -7.045 431 H ARG 54 H ARG 54 1.595 28.928 -5.231 432 HA ARG 54 HA ARG 54 -1.010 28.452 -6.494 433 HB2 ARG 54 HB2 ARG 54 -0.489 29.771 -3.878 434 HB3 ARG 54 HB3 ARG 54 -2.128 29.382 -4.557 435 HG2 ARG 54 HG2 ARG 54 0.006 27.434 -3.821 436 HG3 ARG 54 HG3 ARG 54 -1.464 27.664 -2.833 437 HD2 ARG 54 HD2 ARG 54 -2.675 26.940 -5.017 438 HD3 ARG 54 HD3 ARG 54 -1.154 26.187 -5.526 439 HE ARG 54 HE ARG 54 -1.597 25.473 -2.772 440 HH11 ARG 54 HH11 ARG 54 -2.962 24.790 -5.922 441 HH12 ARG 54 HH12 ARG 54 -3.075 23.112 -5.616 442 HH21 ARG 54 HH21 ARG 54 -1.651 23.236 -2.503 443 HH22 ARG 54 HH22 ARG 54 -2.036 22.201 -3.819 444 H THR 55 H THR 55 -2.585 29.956 -7.028 445 HA THR 55 HA THR 55 -1.577 32.580 -7.853 446 HB THR 55 HB THR 55 -3.560 32.912 -9.219 447 HG1 THR 55 HG1 THR 55 -4.352 30.512 -8.073 448 HG21 THR 55 HG21 THR 55 -3.174 31.325 -10.825 449 HG22 THR 55 HG22 THR 55 -2.511 30.067 -9.815 450 HG23 THR 55 HG23 THR 55 -1.665 31.663 -9.996 451 H LEU 56 H LEU 56 -3.290 34.410 -7.818 452 HA LEU 56 HA LEU 56 -3.792 35.115 -5.011 453 HB2 LEU 56 HB2 LEU 56 -4.099 36.320 -7.804 454 HB3 LEU 56 HB3 LEU 56 -4.854 37.157 -6.421 455 HG LEU 56 HG LEU 56 -1.859 36.435 -6.776 456 HD11 LEU 56 HD11 LEU 56 -2.873 39.218 -7.139 457 HD12 LEU 56 HD12 LEU 56 -2.618 38.184 -8.553 458 HD13 LEU 56 HD13 LEU 56 -1.222 38.479 -7.520 459 HD21 LEU 56 HD21 LEU 56 -3.288 38.673 -5.143 460 HD22 LEU 56 HD22 LEU 56 -1.767 37.960 -4.693 461 HD23 LEU 56 HD23 LEU 56 -3.323 37.053 -4.553 462 H SER 57 H SER 57 -5.780 33.784 -7.606 463 HA SER 57 HA SER 57 -8.202 34.248 -6.078 464 HB2 SER 57 HB2 SER 57 -9.378 33.231 -7.981 465 HB3 SER 57 HB3 SER 57 -8.019 34.071 -8.642 466 HG SER 57 HG SER 57 -6.916 32.291 -8.887 467 H ASP 58 H ASP 58 -5.724 31.912 -5.770 468 HA ASP 58 HA ASP 58 -7.416 29.672 -4.914 469 HB2 ASP 58 HB2 ASP 58 -4.379 30.307 -4.707 470 HB3 ASP 58 HB3 ASP 58 -5.193 28.887 -3.988 471 H TYR 59 H TYR 59 -6.111 32.617 -3.519 472 HA TYR 59 HA TYR 59 -7.083 31.827 -0.804 473 HB2 TYR 59 HB2 TYR 59 -5.054 34.138 -1.540 474 HB3 TYR 59 HB3 TYR 59 -5.427 33.567 0.142 475 HD1 TYR 59 HD1 TYR 59 -3.195 32.976 -2.634 476 HD2 TYR 59 HD2 TYR 59 -5.131 31.259 0.654 477 HE1 TYR 59 HE1 TYR 59 -1.407 31.077 -2.496 478 HE2 TYR 59 HE2 TYR 59 -3.247 29.479 0.929 479 HH TYR 59 HH TYR 59 -1.322 28.795 0.196 480 H ASN 60 H ASN 60 -8.492 33.051 -3.378 481 HA ASN 60 HA ASN 60 -9.771 34.762 -3.980 482 HB2 ASN 60 HB2 ASN 60 -10.795 34.660 -1.146 483 HB3 ASN 60 HB3 ASN 60 -11.736 35.132 -2.573 484 HD21 ASN 60 HD21 ASN 60 -11.367 33.149 -4.382 485 HD22 ASN 60 HD22 ASN 60 -12.036 31.763 -3.714 486 H ILE 61 H ILE 61 -7.336 36.046 -3.604 487 HA ILE 61 HA ILE 61 -7.826 38.213 -1.820 488 HB ILE 61 HB ILE 61 -5.626 37.233 -3.558 489 HG12 ILE 61 HG12 ILE 61 -5.522 38.210 -0.661 490 HG13 ILE 61 HG13 ILE 61 -6.027 36.585 -1.170 491 HG21 ILE 61 HG21 ILE 61 -4.171 39.345 -2.993 492 HG22 ILE 61 HG22 ILE 61 -5.466 40.084 -2.136 493 HG23 ILE 61 HG23 ILE 61 -5.678 39.837 -3.826 494 HD11 ILE 61 HD11 ILE 61 -3.821 36.279 -2.289 495 HD12 ILE 61 HD12 ILE 61 -3.774 36.459 -0.469 496 HD13 ILE 61 HD13 ILE 61 -3.257 37.770 -1.604 497 H GLN 62 H GLN 62 -8.787 40.223 -2.197 498 HA GLN 62 HA GLN 62 -10.049 40.620 -4.814 499 HB2 GLN 62 HB2 GLN 62 -10.407 41.825 -2.065 500 HB3 GLN 62 HB3 GLN 62 -11.367 42.294 -3.475 501 HG2 GLN 62 HG2 GLN 62 -11.307 39.523 -2.082 502 HG3 GLN 62 HG3 GLN 62 -12.685 40.611 -2.199 503 HE21 GLN 62 HE21 GLN 62 -10.813 37.999 -3.718 504 HE22 GLN 62 HE22 GLN 62 -11.927 37.912 -5.054 505 H LYS 63 H LYS 63 -9.988 42.851 -5.776 506 HA LYS 63 HA LYS 63 -7.455 44.235 -6.036 507 HB2 LYS 63 HB2 LYS 63 -8.697 45.818 -7.110 508 HB3 LYS 63 HB3 LYS 63 -9.386 44.266 -7.572 509 HG2 LYS 63 HG2 LYS 63 -11.208 44.682 -5.762 510 HG3 LYS 63 HG3 LYS 63 -10.624 46.323 -5.808 511 HD2 LYS 63 HD2 LYS 63 -11.347 46.075 -8.457 512 HD3 LYS 63 HD3 LYS 63 -11.955 44.506 -8.008 513 HE2 LYS 63 HE2 LYS 63 -13.803 46.125 -8.004 514 HE3 LYS 63 HE3 LYS 63 -13.421 45.560 -6.287 515 HZ1 LYS 63 HZ1 LYS 63 -12.228 48.023 -7.331 516 HZ2 LYS 63 HZ2 LYS 63 -12.473 47.435 -5.761 517 HZ3 LYS 63 HZ3 LYS 63 -13.785 48.007 -6.696 518 H GLU 64 H GLU 64 -6.407 45.839 -5.341 519 HA GLU 64 HA GLU 64 -5.635 47.430 -3.961 520 HB2 GLU 64 HB2 GLU 64 -8.589 47.696 -3.611 521 HB3 GLU 64 HB3 GLU 64 -7.510 48.907 -2.929 522 HG2 GLU 64 HG2 GLU 64 -6.756 49.573 -5.306 523 HG3 GLU 64 HG3 GLU 64 -7.627 48.252 -6.018 524 H SER 65 H SER 65 -6.367 44.756 -2.834 525 HA SER 65 HA SER 65 -6.584 44.944 0.106 526 HB2 SER 65 HB2 SER 65 -5.520 42.554 -1.656 527 HB3 SER 65 HB3 SER 65 -5.834 42.436 0.020 528 HG SER 65 HG SER 65 -7.763 42.970 -2.009 529 H THR 66 H THR 66 -4.882 44.389 1.591 530 HA THR 66 HA THR 66 -2.120 45.118 0.650 531 HB THR 66 HB THR 66 -3.488 45.400 3.324 532 HG1 THR 66 HG1 THR 66 -3.881 46.780 1.625 533 HG21 THR 66 HG21 THR 66 -1.016 44.971 3.698 534 HG22 THR 66 HG22 THR 66 -1.224 46.673 3.876 535 HG23 THR 66 HG23 THR 66 -0.681 46.094 2.283 536 H LEU 67 H LEU 67 -0.767 43.680 0.703 537 HA LEU 67 HA LEU 67 -0.734 41.216 2.417 538 HB2 LEU 67 HB2 LEU 67 1.086 41.798 0.045 539 HB3 LEU 67 HB3 LEU 67 0.820 40.318 1.007 540 HG LEU 67 HG LEU 67 -1.382 39.864 0.071 541 HD11 LEU 67 HD11 LEU 67 -2.123 42.216 -0.715 542 HD12 LEU 67 HD12 LEU 67 -1.841 41.259 -2.211 543 HD13 LEU 67 HD13 LEU 67 -0.633 42.392 -1.557 544 HD21 LEU 67 HD21 LEU 67 0.990 39.019 -0.915 545 HD22 LEU 67 HD22 LEU 67 0.519 40.173 -2.180 546 HD23 LEU 67 HD23 LEU 67 -0.525 38.829 -1.822 547 H HIS 68 H HIS 68 1.185 40.573 3.586 548 HA HIS 68 HA HIS 68 2.989 42.761 3.934 549 HB2 HIS 68 HB2 HIS 68 2.148 40.671 5.966 550 HB3 HIS 68 HB3 HIS 68 3.465 41.857 6.263 551 HD1 HIS 68 HD1 HIS 68 2.658 43.840 7.539 552 HD2 HIS 68 HD2 HIS 68 -0.376 42.242 5.232 553 HE1 HIS 68 HE1 HIS 68 0.687 45.250 7.836 554 H LEU 69 H LEU 69 5.106 42.414 3.381 555 HA LEU 69 HA LEU 69 6.171 39.611 3.205 556 HB2 LEU 69 HB2 LEU 69 6.759 41.682 1.563 557 HB3 LEU 69 HB3 LEU 69 7.926 42.187 2.660 558 HG LEU 69 HG LEU 69 8.738 39.595 2.624 559 HD11 LEU 69 HD11 LEU 69 6.923 38.881 1.148 560 HD12 LEU 69 HD12 LEU 69 8.455 38.807 0.284 561 HD13 LEU 69 HD13 LEU 69 7.310 40.118 -0.062 562 HD21 LEU 69 HD21 LEU 69 9.326 41.570 0.404 563 HD22 LEU 69 HD22 LEU 69 10.472 40.338 0.969 564 HD23 LEU 69 HD23 LEU 69 10.150 41.738 2.001 565 H VAL 70 H VAL 70 7.452 38.694 4.646 566 HA VAL 70 HA VAL 70 9.078 40.513 6.295 567 HB VAL 70 HB VAL 70 9.311 38.628 8.048 568 HG11 VAL 70 HG11 VAL 70 6.951 38.881 9.138 569 HG12 VAL 70 HG12 VAL 70 6.396 39.711 7.723 570 HG13 VAL 70 HG13 VAL 70 7.526 40.501 8.735 571 HG21 VAL 70 HG21 VAL 70 7.433 36.872 8.046 572 HG22 VAL 70 HG22 VAL 70 8.720 36.634 6.894 573 HG23 VAL 70 HG23 VAL 70 7.119 37.331 6.297 574 H LEU 71 H LEU 71 11.235 39.758 6.648 575 HA LEU 71 HA LEU 71 12.318 38.390 4.329 576 HB2 LEU 71 HB2 LEU 71 13.438 40.475 5.246 577 HB3 LEU 71 HB3 LEU 71 13.718 39.555 6.694 578 HG LEU 71 HG LEU 71 15.185 38.155 5.134 579 HD11 LEU 71 HD11 LEU 71 13.936 38.647 3.072 580 HD12 LEU 71 HD12 LEU 71 15.740 39.039 2.935 581 HD13 LEU 71 HD13 LEU 71 14.484 40.346 3.090 582 HD21 LEU 71 HD21 LEU 71 16.766 40.225 4.609 583 HD22 LEU 71 HD22 LEU 71 16.175 40.063 6.374 584 HD23 LEU 71 HD23 LEU 71 15.563 41.257 5.329 585 H ARG 72 H ARG 72 12.864 36.105 4.465 586 HA ARG 72 HA ARG 72 13.152 34.783 7.037 587 HB2 ARG 72 HB2 ARG 72 12.276 33.564 5.031 588 HB3 ARG 72 HB3 ARG 72 13.956 33.517 4.512 589 HG2 ARG 72 HG2 ARG 72 14.708 32.109 6.300 590 HG3 ARG 72 HG3 ARG 72 13.380 32.763 7.349 591 HD2 ARG 72 HD2 ARG 72 11.765 31.329 6.183 592 HD3 ARG 72 HD3 ARG 72 13.004 30.784 4.976 593 HE ARG 72 HE ARG 72 14.062 30.081 7.517 594 HH11 ARG 72 HH11 ARG 72 11.263 29.229 5.798 595 HH12 ARG 72 HH12 ARG 72 10.688 28.130 6.989 596 HH21 ARG 72 HH21 ARG 72 13.657 28.442 8.817 597 HH22 ARG 72 HH22 ARG 72 12.084 27.633 8.699 598 H LEU 73 H LEU 73 14.860 34.903 8.236 599 HA LEU 73 HA LEU 73 17.407 35.639 7.129 600 HB2 LEU 73 HB2 LEU 73 16.270 35.184 9.933 601 HB3 LEU 73 HB3 LEU 73 18.017 35.702 9.553 602 HG LEU 73 HG LEU 73 15.544 37.269 8.893 603 HD11 LEU 73 HD11 LEU 73 16.286 38.559 11.112 604 HD12 LEU 73 HD12 LEU 73 17.210 37.023 11.413 605 HD13 LEU 73 HD13 LEU 73 15.435 37.001 11.240 606 HD21 LEU 73 HD21 LEU 73 18.486 38.084 9.025 607 HD22 LEU 73 HD22 LEU 73 17.121 39.266 8.667 608 HD23 LEU 73 HD23 LEU 73 17.382 37.868 7.632 609 H ARG 74 H ARG 74 19.378 34.323 7.608 610 HA ARG 74 HA ARG 74 18.843 31.661 6.854 611 HB2 ARG 74 HB2 ARG 74 21.462 33.148 7.161 612 HB3 ARG 74 HB3 ARG 74 21.218 31.541 6.407 613 HG2 ARG 74 HG2 ARG 74 19.975 34.054 5.162 614 HG3 ARG 74 HG3 ARG 74 21.497 33.251 4.653 615 HD2 ARG 74 HD2 ARG 74 20.432 31.142 4.006 616 HD3 ARG 74 HD3 ARG 74 18.879 31.894 4.555 617 HE ARG 74 HE ARG 74 20.234 33.639 2.781 618 HH11 ARG 74 HH11 ARG 74 18.204 30.762 2.906 619 HH12 ARG 74 HH12 ARG 74 17.913 30.820 1.183 620 HH21 ARG 74 HH21 ARG 74 19.524 33.627 0.551 621 HH22 ARG 74 HH22 ARG 74 18.132 32.603 0.205 622 H GLY 75 H GLY 75 20.343 29.866 7.629 623 HA2 GLY 75 HA2 GLY 75 20.993 28.442 9.025 624 HA3 GLY 75 HA3 GLY 75 21.460 29.736 10.182 625 H GLY 76 H GLY 76 18.069 29.288 9.162 626 HA2 GLY 76 HA2 GLY 76 17.357 27.618 11.327 627 HA3 GLY 76 HA3 GLY 76 16.744 29.240 11.586 Start of MODEL 6 1 H MET 1 HT1 MET 1 -5.219 43.531 -12.635 2 HA MET 1 HA MET 1 -5.222 45.831 -11.495 3 HB2 MET 1 HB2 MET 1 -6.942 45.001 -10.055 4 HB3 MET 1 HB3 MET 1 -6.903 43.648 -11.169 5 HG2 MET 1 HG2 MET 1 -5.598 43.874 -8.314 6 HG3 MET 1 HG3 MET 1 -7.089 43.086 -8.692 7 HE1 MET 1 HE1 MET 1 -6.220 41.230 -7.330 8 HE2 MET 1 HE2 MET 1 -4.478 41.337 -7.295 9 HE3 MET 1 HE3 MET 1 -5.253 39.849 -7.995 10 H GLN 2 H GLN 2 -5.250 46.665 -9.086 11 HA GLN 2 HA GLN 2 -2.338 46.571 -8.593 12 HB2 GLN 2 HB2 GLN 2 -4.453 48.557 -7.467 13 HB3 GLN 2 HB3 GLN 2 -2.708 48.625 -7.255 14 HG2 GLN 2 HG2 GLN 2 -4.420 49.066 -9.693 15 HG3 GLN 2 HG3 GLN 2 -3.413 50.254 -8.756 16 HE21 GLN 2 HE21 GLN 2 -3.558 48.933 -11.633 17 HE22 GLN 2 HE22 GLN 2 -1.917 48.714 -12.097 18 H ILE 3 H ILE 3 -1.450 45.991 -6.566 19 HA ILE 3 HA ILE 3 -3.410 45.590 -4.381 20 HB ILE 3 HB ILE 3 -2.458 43.391 -3.648 21 HG12 ILE 3 HG12 ILE 3 -1.203 43.225 -6.424 22 HG13 ILE 3 HG13 ILE 3 -0.298 43.751 -4.991 23 HG21 ILE 3 HG21 ILE 3 -3.990 42.163 -5.078 24 HG22 ILE 3 HG22 ILE 3 -3.648 43.335 -6.439 25 HG23 ILE 3 HG23 ILE 3 -4.576 43.793 -4.990 26 HD11 ILE 3 HD11 ILE 3 -0.121 41.413 -5.549 27 HD12 ILE 3 HD12 ILE 3 -1.776 41.144 -4.895 28 HD13 ILE 3 HD13 ILE 3 -0.362 41.769 -3.863 29 H PHE 4 H PHE 4 -2.015 45.286 -2.391 30 HA PHE 4 HA PHE 4 0.439 47.004 -2.598 31 HB2 PHE 4 HB2 PHE 4 -1.460 46.896 -0.232 32 HB3 PHE 4 HB3 PHE 4 -0.084 47.980 -0.393 33 HD1 PHE 4 HD1 PHE 4 -3.273 48.203 0.126 34 HD2 PHE 4 HD2 PHE 4 -0.513 49.179 -2.982 35 HE1 PHE 4 HE1 PHE 4 -4.931 49.698 -0.882 36 HE2 PHE 4 HE2 PHE 4 -2.326 50.651 -4.129 37 HZ PHE 4 HZ PHE 4 -4.463 50.854 -3.105 38 H VAL 5 H VAL 5 2.237 46.569 -1.652 39 HA VAL 5 HA VAL 5 2.401 44.162 0.023 40 HB VAL 5 HB VAL 5 4.323 44.982 -2.212 41 HG11 VAL 5 HG11 VAL 5 4.428 42.782 -0.117 42 HG12 VAL 5 HG12 VAL 5 5.820 43.836 -0.469 43 HG13 VAL 5 HG13 VAL 5 5.304 42.560 -1.616 44 HG21 VAL 5 HG21 VAL 5 2.114 43.968 -2.869 45 HG22 VAL 5 HG22 VAL 5 2.567 42.496 -1.803 46 HG23 VAL 5 HG23 VAL 5 3.426 42.981 -3.340 47 H LYS 6 H LYS 6 2.991 44.384 1.824 48 HA LYS 6 HA LYS 6 4.259 46.932 2.533 49 HB2 LYS 6 HB2 LYS 6 2.024 46.630 3.290 50 HB3 LYS 6 HB3 LYS 6 2.393 44.987 3.950 51 HG2 LYS 6 HG2 LYS 6 3.810 46.161 5.749 52 HG3 LYS 6 HG3 LYS 6 3.670 47.655 4.803 53 HD2 LYS 6 HD2 LYS 6 1.204 47.697 5.372 54 HD3 LYS 6 HD3 LYS 6 1.391 46.218 6.291 55 HE2 LYS 6 HE2 LYS 6 3.098 47.447 7.748 56 HE3 LYS 6 HE3 LYS 6 2.853 48.927 6.728 57 HZ1 LYS 6 HZ1 LYS 6 0.476 48.664 7.393 58 HZ2 LYS 6 HZ2 LYS 6 1.447 49.277 8.556 59 HZ3 LYS 6 HZ3 LYS 6 0.980 47.624 8.560 60 H THR 7 H THR 7 6.422 46.866 3.225 61 HA THR 7 HA THR 7 7.676 44.465 4.119 62 HB THR 7 HB THR 7 9.739 45.856 4.314 63 HG1 THR 7 HG1 THR 7 9.422 48.030 3.882 64 HG21 THR 7 HG21 THR 7 9.914 46.699 1.993 65 HG22 THR 7 HG22 THR 7 8.099 46.697 1.863 66 HG23 THR 7 HG23 THR 7 9.021 45.179 1.990 67 H LEU 8 H LEU 8 9.135 44.387 5.996 68 HA LEU 8 HA LEU 8 7.737 45.222 8.451 69 HB2 LEU 8 HB2 LEU 8 10.278 43.699 7.903 70 HB3 LEU 8 HB3 LEU 8 9.571 44.014 9.526 71 HG LEU 8 HG LEU 8 8.823 41.990 7.436 72 HD11 LEU 8 HD11 LEU 8 8.397 40.758 9.637 73 HD12 LEU 8 HD12 LEU 8 9.090 42.139 10.476 74 HD13 LEU 8 HD13 LEU 8 10.072 41.305 9.282 75 HD21 LEU 8 HD21 LEU 8 6.455 41.675 8.705 76 HD22 LEU 8 HD22 LEU 8 6.629 43.069 7.555 77 HD23 LEU 8 HD23 LEU 8 6.781 43.318 9.352 78 H THR 9 H THR 9 9.333 46.831 6.433 79 HA THR 9 HA THR 9 10.494 48.648 8.326 80 HB THR 9 HB THR 9 12.121 49.400 6.278 81 HG1 THR 9 HG1 THR 9 11.527 48.114 4.807 82 HG21 THR 9 HG21 THR 9 12.743 48.348 8.566 83 HG22 THR 9 HG22 THR 9 13.770 47.878 7.210 84 HG23 THR 9 HG23 THR 9 12.460 46.766 7.829 85 H GLY 10 H GLY 10 7.932 48.248 7.100 86 HA2 GLY 10 HA2 GLY 10 6.136 49.876 7.025 87 HA3 GLY 10 HA3 GLY 10 7.433 50.955 7.452 88 H LYS 11 H LYS 11 7.746 49.348 4.542 89 HA LYS 11 HA LYS 11 6.848 51.614 2.941 90 HB2 LYS 11 HB2 LYS 11 9.192 50.808 2.714 91 HB3 LYS 11 HB3 LYS 11 8.461 49.231 2.223 92 HG2 LYS 11 HG2 LYS 11 7.668 50.515 0.056 93 HG3 LYS 11 HG3 LYS 11 8.207 51.930 0.762 94 HD2 LYS 11 HD2 LYS 11 10.578 51.116 0.988 95 HD3 LYS 11 HD3 LYS 11 10.126 49.674 0.064 96 HE2 LYS 11 HE2 LYS 11 9.579 51.254 -1.859 97 HE3 LYS 11 HE3 LYS 11 10.185 52.621 -0.902 98 HZ1 LYS 11 HZ1 LYS 11 12.276 51.385 -0.658 99 HZ2 LYS 11 HZ2 LYS 11 11.900 52.083 -2.200 100 HZ3 LYS 11 HZ3 LYS 11 11.779 50.376 -1.908 101 H THR 12 H THR 12 4.916 51.322 2.309 102 HA THR 12 HA THR 12 3.866 48.804 1.266 103 HB THR 12 HB THR 12 2.638 51.440 2.074 104 HG1 THR 12 HG1 THR 12 2.824 49.927 3.770 105 HG21 THR 12 HG21 THR 12 1.376 50.489 -0.099 106 HG22 THR 12 HG22 THR 12 0.438 50.727 1.443 107 HG23 THR 12 HG23 THR 12 1.001 49.084 1.021 108 H ILE 13 H ILE 13 4.358 48.323 -0.669 109 HA ILE 13 HA ILE 13 4.674 50.226 -2.829 110 HB ILE 13 HB ILE 13 5.030 47.159 -2.651 111 HG12 ILE 13 HG12 ILE 13 7.098 49.325 -1.981 112 HG13 ILE 13 HG13 ILE 13 6.461 48.155 -0.792 113 HG21 ILE 13 HG21 ILE 13 6.521 47.431 -4.589 114 HG22 ILE 13 HG22 ILE 13 6.421 49.232 -4.447 115 HG23 ILE 13 HG23 ILE 13 4.999 48.207 -4.957 116 HD11 ILE 13 HD11 ILE 13 8.742 47.548 -1.439 117 HD12 ILE 13 HD12 ILE 13 8.429 47.844 -3.109 118 HD13 ILE 13 HD13 ILE 13 7.688 46.405 -2.378 119 H THR 14 H THR 14 3.464 50.508 -4.598 120 HA THR 14 HA THR 14 1.191 48.631 -4.729 121 HB THR 14 HB THR 14 1.613 51.030 -6.531 122 HG1 THR 14 HG1 THR 14 0.102 50.654 -4.189 123 HG21 THR 14 HG21 THR 14 -0.873 50.755 -6.982 124 HG22 THR 14 HG22 THR 14 -0.837 49.246 -6.021 125 HG23 THR 14 HG23 THR 14 0.011 49.254 -7.456 126 H LEU 15 H LEU 15 1.051 46.952 -6.024 127 HA LEU 15 HA LEU 15 3.142 46.670 -8.111 128 HB2 LEU 15 HB2 LEU 15 2.817 45.249 -5.713 129 HB3 LEU 15 HB3 LEU 15 2.140 44.094 -6.926 130 HG LEU 15 HG LEU 15 4.540 44.673 -8.082 131 HD11 LEU 15 HD11 LEU 15 6.341 45.414 -6.749 132 HD12 LEU 15 HD12 LEU 15 5.314 45.361 -5.196 133 HD13 LEU 15 HD13 LEU 15 4.942 46.453 -6.555 134 HD21 LEU 15 HD21 LEU 15 4.084 42.870 -5.675 135 HD22 LEU 15 HD22 LEU 15 5.552 42.743 -6.712 136 HD23 LEU 15 HD23 LEU 15 3.970 42.449 -7.321 137 H GLU 16 H GLU 16 2.449 45.610 -10.072 138 HA GLU 16 HA GLU 16 -0.435 45.489 -10.377 139 HB2 GLU 16 HB2 GLU 16 0.821 47.231 -11.735 140 HB3 GLU 16 HB3 GLU 16 1.594 45.736 -12.530 141 HG2 GLU 16 HG2 GLU 16 -0.781 44.933 -13.015 142 HG3 GLU 16 HG3 GLU 16 -1.426 46.346 -12.283 143 H VAL 17 H VAL 17 -1.275 43.437 -10.335 144 HA VAL 17 HA VAL 17 0.473 41.242 -11.276 145 HB VAL 17 HB VAL 17 -0.375 39.782 -9.443 146 HG11 VAL 17 HG11 VAL 17 0.995 41.033 -7.597 147 HG12 VAL 17 HG12 VAL 17 0.772 42.491 -8.591 148 HG13 VAL 17 HG13 VAL 17 1.766 41.276 -9.265 149 HG21 VAL 17 HG21 VAL 17 -2.586 40.966 -8.817 150 HG22 VAL 17 HG22 VAL 17 -1.589 42.400 -8.432 151 HG23 VAL 17 HG23 VAL 17 -1.440 40.877 -7.432 152 H GLU 18 H GLU 18 -0.812 39.506 -12.189 153 HA GLU 18 HA GLU 18 -3.669 40.156 -12.825 154 HB2 GLU 18 HB2 GLU 18 -1.965 37.939 -13.915 155 HB3 GLU 18 HB3 GLU 18 -3.518 38.431 -14.520 156 HG2 GLU 18 HG2 GLU 18 -2.690 40.744 -15.167 157 HG3 GLU 18 HG3 GLU 18 -0.951 40.256 -14.797 158 HA PRO 19 HA PRO 19 -4.180 37.212 -9.613 159 HB2 PRO 19 HB2 PRO 19 -6.796 36.450 -9.744 160 HB3 PRO 19 HB3 PRO 19 -6.304 38.126 -9.364 161 HG2 PRO 19 HG2 PRO 19 -7.068 37.080 -12.120 162 HG3 PRO 19 HG3 PRO 19 -7.827 38.448 -11.329 163 HD2 PRO 19 HD2 PRO 19 -5.771 38.965 -12.990 164 HD3 PRO 19 HD3 PRO 19 -5.674 39.746 -11.370 165 H SER 20 H SER 20 -4.135 35.846 -12.783 166 HA SER 20 HA SER 20 -4.193 33.134 -11.571 167 HB2 SER 20 HB2 SER 20 -4.066 32.293 -13.905 168 HB3 SER 20 HB3 SER 20 -5.531 33.281 -13.587 169 HG SER 20 HG SER 20 -3.264 34.275 -15.017 170 H ASP 21 H ASP 21 -1.907 35.622 -12.075 171 HA ASP 21 HA ASP 21 0.386 34.096 -12.488 172 HB2 ASP 21 HB2 ASP 21 -0.193 36.648 -11.070 173 HB3 ASP 21 HB3 ASP 21 1.463 35.968 -11.304 174 H THR 22 H THR 22 1.619 32.988 -11.052 175 HA THR 22 HA THR 22 0.554 31.888 -8.774 176 HB THR 22 HB THR 22 2.706 30.691 -8.406 177 HG1 THR 22 HG1 THR 22 3.245 32.053 -10.730 178 HG21 THR 22 HG21 THR 22 1.542 30.572 -11.266 179 HG22 THR 22 HG22 THR 22 0.764 29.732 -9.844 180 HG23 THR 22 HG23 THR 22 2.369 29.267 -10.542 181 H ILE 23 H ILE 23 1.419 32.248 -6.253 182 HA ILE 23 HA ILE 23 2.244 34.992 -5.874 183 HB ILE 23 HB ILE 23 2.291 32.426 -4.203 184 HG12 ILE 23 HG12 ILE 23 0.140 33.077 -4.914 185 HG13 ILE 23 HG13 ILE 23 0.288 33.235 -3.153 186 HG21 ILE 23 HG21 ILE 23 3.976 33.889 -3.017 187 HG22 ILE 23 HG22 ILE 23 2.445 33.958 -2.204 188 HG23 ILE 23 HG23 ILE 23 2.957 35.327 -3.273 189 HD11 ILE 23 HD11 ILE 23 0.268 35.696 -3.363 190 HD12 ILE 23 HD12 ILE 23 -1.050 34.961 -4.416 191 HD13 ILE 23 HD13 ILE 23 0.475 35.585 -5.063 192 H GLU 24 H GLU 24 4.448 32.040 -6.292 193 HA GLU 24 HA GLU 24 6.635 33.657 -5.829 194 HB2 GLU 24 HB2 GLU 24 6.569 31.108 -5.925 195 HB3 GLU 24 HB3 GLU 24 6.300 31.323 -7.676 196 HG2 GLU 24 HG2 GLU 24 8.485 32.113 -8.204 197 HG3 GLU 24 HG3 GLU 24 8.807 32.529 -6.517 198 H ASN 25 H ASN 25 4.866 33.367 -8.756 199 HA ASN 25 HA ASN 25 6.640 35.145 -10.235 200 HB2 ASN 25 HB2 ASN 25 4.908 33.893 -11.445 201 HB3 ASN 25 HB3 ASN 25 3.595 34.804 -10.620 202 HD21 ASN 25 HD21 ASN 25 6.409 35.091 -12.800 203 HD22 ASN 25 HD22 ASN 25 6.253 36.801 -13.143 204 H VAL 26 H VAL 26 3.903 35.967 -7.774 205 HA VAL 26 HA VAL 26 4.515 38.672 -8.123 206 HB VAL 26 HB VAL 26 3.037 37.513 -5.716 207 HG11 VAL 26 HG11 VAL 26 2.341 39.832 -5.259 208 HG12 VAL 26 HG12 VAL 26 3.503 40.392 -6.602 209 HG13 VAL 26 HG13 VAL 26 4.135 39.802 -5.100 210 HG21 VAL 26 HG21 VAL 26 2.484 39.036 -8.280 211 HG22 VAL 26 HG22 VAL 26 1.171 38.542 -7.163 212 HG23 VAL 26 HG23 VAL 26 2.136 37.297 -8.027 213 H LYS 27 H LYS 27 5.985 36.479 -5.743 214 HA LYS 27 HA LYS 27 7.813 38.258 -4.522 215 HB2 LYS 27 HB2 LYS 27 8.489 35.448 -5.275 216 HB3 LYS 27 HB3 LYS 27 9.057 36.479 -3.867 217 HG2 LYS 27 HG2 LYS 27 6.711 36.816 -3.162 218 HG3 LYS 27 HG3 LYS 27 6.263 35.431 -4.059 219 HD2 LYS 27 HD2 LYS 27 7.937 35.390 -1.590 220 HD3 LYS 27 HD3 LYS 27 6.448 34.576 -2.017 221 HE2 LYS 27 HE2 LYS 27 7.740 33.089 -3.772 222 HE3 LYS 27 HE3 LYS 27 9.163 34.002 -3.385 223 HZ1 LYS 27 HZ1 LYS 27 9.058 33.207 -0.997 224 HZ2 LYS 27 HZ2 LYS 27 9.301 32.059 -2.120 225 HZ3 LYS 27 HZ3 LYS 27 7.772 32.291 -1.539 226 H ALA 28 H ALA 28 8.063 36.628 -7.788 227 HA ALA 28 HA ALA 28 10.516 37.496 -8.571 228 HB1 ALA 28 HB1 ALA 28 9.123 35.669 -9.738 229 HB2 ALA 28 HB2 ALA 28 9.784 36.818 -10.913 230 HB3 ALA 28 HB3 ALA 28 8.080 36.932 -10.406 231 H LYS 29 H LYS 29 7.550 39.158 -8.997 232 HA LYS 29 HA LYS 29 8.505 41.471 -10.438 233 HB2 LYS 29 HB2 LYS 29 5.924 40.899 -8.969 234 HB3 LYS 29 HB3 LYS 29 6.271 42.497 -9.687 235 HG2 LYS 29 HG2 LYS 29 6.656 41.332 -11.927 236 HG3 LYS 29 HG3 LYS 29 6.211 39.839 -11.184 237 HD2 LYS 29 HD2 LYS 29 4.057 40.355 -10.758 238 HD3 LYS 29 HD3 LYS 29 4.228 42.096 -11.142 239 HE2 LYS 29 HE2 LYS 29 2.876 40.855 -12.837 240 HE3 LYS 29 HE3 LYS 29 4.371 41.426 -13.557 241 HZ1 LYS 29 HZ1 LYS 29 3.729 39.349 -14.200 242 HZ2 LYS 29 HZ2 LYS 29 3.682 38.679 -12.694 243 HZ3 LYS 29 HZ3 LYS 29 5.188 39.150 -13.366 244 H ILE 30 H ILE 30 8.152 40.785 -6.925 245 HA ILE 30 HA ILE 30 8.729 43.351 -6.044 246 HB ILE 30 HB ILE 30 8.888 40.606 -4.921 247 HG12 ILE 30 HG12 ILE 30 6.855 42.797 -4.167 248 HG13 ILE 30 HG13 ILE 30 6.662 41.691 -5.497 249 HG21 ILE 30 HG21 ILE 30 9.578 43.279 -3.333 250 HG22 ILE 30 HG22 ILE 30 10.556 41.817 -3.545 251 HG23 ILE 30 HG23 ILE 30 9.071 41.680 -2.644 252 HD11 ILE 30 HD11 ILE 30 6.823 40.846 -2.569 253 HD12 ILE 30 HD12 ILE 30 6.682 39.702 -3.888 254 HD13 ILE 30 HD13 ILE 30 5.443 40.937 -3.626 255 H GLN 31 H GLN 31 10.732 40.686 -6.883 256 HA GLN 31 HA GLN 31 13.209 41.638 -6.161 257 HB2 GLN 31 HB2 GLN 31 12.789 39.275 -6.786 258 HB3 GLN 31 HB3 GLN 31 12.464 39.709 -8.423 259 HG2 GLN 31 HG2 GLN 31 14.939 40.692 -8.598 260 HG3 GLN 31 HG3 GLN 31 15.086 40.030 -6.958 261 HE21 GLN 31 HE21 GLN 31 16.913 39.034 -8.349 262 HE22 GLN 31 HE22 GLN 31 16.479 37.431 -8.878 263 H ASP 32 H ASP 32 11.576 42.250 -9.214 264 HA ASP 32 HA ASP 32 13.603 43.766 -10.273 265 HB2 ASP 32 HB2 ASP 32 10.454 44.175 -10.755 266 HB3 ASP 32 HB3 ASP 32 11.733 44.823 -11.778 267 H LYS 33 H LYS 33 11.337 44.657 -7.871 268 HA LYS 33 HA LYS 33 11.936 47.580 -7.990 269 HB2 LYS 33 HB2 LYS 33 9.964 45.901 -6.161 270 HB3 LYS 33 HB3 LYS 33 9.952 47.709 -6.175 271 HG2 LYS 33 HG2 LYS 33 9.614 46.393 -8.756 272 HG3 LYS 33 HG3 LYS 33 8.200 46.283 -7.631 273 HD2 LYS 33 HD2 LYS 33 8.243 48.587 -7.224 274 HD3 LYS 33 HD3 LYS 33 9.592 48.881 -8.304 275 HE2 LYS 33 HE2 LYS 33 8.030 47.821 -10.183 276 HE3 LYS 33 HE3 LYS 33 6.686 47.774 -8.995 277 HZ1 LYS 33 HZ1 LYS 33 8.270 50.130 -9.633 278 HZ2 LYS 33 HZ2 LYS 33 6.829 50.040 -8.728 279 HZ3 LYS 33 HZ3 LYS 33 6.804 49.870 -10.452 280 H GLU 34 H GLU 34 12.305 44.969 -5.515 281 HA GLU 34 HA GLU 34 14.089 46.802 -3.984 282 HB2 GLU 34 HB2 GLU 34 12.212 44.445 -3.105 283 HB3 GLU 34 HB3 GLU 34 13.310 45.158 -1.990 284 HG2 GLU 34 HG2 GLU 34 11.129 46.640 -3.285 285 HG3 GLU 34 HG3 GLU 34 11.145 46.058 -1.592 286 H GLY 35 H GLY 35 14.402 43.970 -6.032 287 HA2 GLY 35 HA2 GLY 35 16.289 42.949 -6.497 288 HA3 GLY 35 HA3 GLY 35 17.079 44.022 -5.249 289 H ILE 36 H ILE 36 14.760 41.747 -4.057 290 HA ILE 36 HA ILE 36 16.812 39.955 -3.051 291 HB ILE 36 HB ILE 36 14.018 40.401 -1.961 292 HG12 ILE 36 HG12 ILE 36 15.211 42.492 -1.652 293 HG13 ILE 36 HG13 ILE 36 15.070 41.571 -0.078 294 HG21 ILE 36 HG21 ILE 36 15.188 38.123 -1.512 295 HG22 ILE 36 HG22 ILE 36 14.540 39.005 -0.157 296 HG23 ILE 36 HG23 ILE 36 16.339 39.062 -0.589 297 HD11 ILE 36 HD11 ILE 36 17.498 40.832 -0.415 298 HD12 ILE 36 HD12 ILE 36 17.299 42.570 -0.069 299 HD13 ILE 36 HD13 ILE 36 17.599 42.137 -1.723 300 HA PRO 37 HA PRO 37 15.286 36.824 -5.734 301 HB2 PRO 37 HB2 PRO 37 16.225 34.870 -3.493 302 HB3 PRO 37 HB3 PRO 37 16.404 34.775 -5.265 303 HG2 PRO 37 HG2 PRO 37 18.627 35.783 -3.825 304 HG3 PRO 37 HG3 PRO 37 18.050 36.451 -5.329 305 HD2 PRO 37 HD2 PRO 37 17.355 37.379 -2.630 306 HD3 PRO 37 HD3 PRO 37 17.942 38.434 -3.922 307 HA PRO 38 HA PRO 38 11.177 35.692 -3.823 308 HB2 PRO 38 HB2 PRO 38 12.098 33.440 -5.687 309 HB3 PRO 38 HB3 PRO 38 10.331 33.839 -5.405 310 HG2 PRO 38 HG2 PRO 38 11.568 35.036 -7.622 311 HG3 PRO 38 HG3 PRO 38 10.881 36.181 -6.423 312 HD2 PRO 38 HD2 PRO 38 13.730 35.305 -6.627 313 HD3 PRO 38 HD3 PRO 38 13.184 36.964 -6.318 314 H ASP 39 H ASP 39 13.601 33.334 -3.929 315 HA ASP 39 HA ASP 39 12.396 31.621 -1.940 316 HB2 ASP 39 HB2 ASP 39 15.267 31.565 -3.041 317 HB3 ASP 39 HB3 ASP 39 14.548 30.352 -2.017 318 H GLN 40 H GLN 40 14.016 34.553 -1.409 319 HA GLN 40 HA GLN 40 14.291 33.659 1.379 320 HB2 GLN 40 HB2 GLN 40 15.290 36.160 -0.178 321 HB3 GLN 40 HB3 GLN 40 15.403 35.865 1.609 322 HG2 GLN 40 HG2 GLN 40 16.849 34.365 -0.584 323 HG3 GLN 40 HG3 GLN 40 17.410 35.298 0.688 324 HE21 GLN 40 HE21 GLN 40 16.461 34.423 2.854 325 HE22 GLN 40 HE22 GLN 40 17.004 32.766 3.157 326 H GLN 41 H GLN 41 11.927 34.848 -0.619 327 HA GLN 41 HA GLN 41 10.940 36.796 1.337 328 HB2 GLN 41 HB2 GLN 41 10.218 36.228 -1.559 329 HB3 GLN 41 HB3 GLN 41 9.244 37.359 -0.670 330 HG2 GLN 41 HG2 GLN 41 11.179 38.924 -0.421 331 HG3 GLN 41 HG3 GLN 41 12.253 37.827 -1.395 332 HE21 GLN 41 HE21 GLN 41 12.288 38.669 -3.525 333 HE22 GLN 41 HE22 GLN 41 10.871 39.324 -4.313 334 H ARG 42 H ARG 42 9.049 36.436 2.241 335 HA ARG 42 HA ARG 42 7.176 34.670 0.907 336 HB2 ARG 42 HB2 ARG 42 6.723 33.394 3.166 337 HB3 ARG 42 HB3 ARG 42 8.350 33.127 2.361 338 HG2 ARG 42 HG2 ARG 42 9.465 34.616 3.870 339 HG3 ARG 42 HG3 ARG 42 7.946 35.357 4.412 340 HD2 ARG 42 HD2 ARG 42 8.587 33.807 6.254 341 HD3 ARG 42 HD3 ARG 42 7.148 33.171 5.429 342 HE ARG 42 HE ARG 42 8.713 31.746 4.157 343 HH11 ARG 42 HH11 ARG 42 9.307 32.684 7.465 344 HH12 ARG 42 HH12 ARG 42 9.678 31.044 7.846 345 HH21 ARG 42 HH21 ARG 42 9.078 29.448 5.013 346 HH22 ARG 42 HH22 ARG 42 9.410 29.414 6.691 347 H LEU 43 H LEU 43 5.169 35.319 0.787 348 HA LEU 43 HA LEU 43 4.364 37.677 2.091 349 HB2 LEU 43 HB2 LEU 43 3.243 35.947 -0.239 350 HB3 LEU 43 HB3 LEU 43 2.424 37.219 0.482 351 HG LEU 43 HG LEU 43 5.266 37.952 -0.032 352 HD11 LEU 43 HD11 LEU 43 4.920 36.734 -2.077 353 HD12 LEU 43 HD12 LEU 43 4.815 38.502 -2.444 354 HD13 LEU 43 HD13 LEU 43 3.372 37.490 -2.431 355 HD21 LEU 43 HD21 LEU 43 2.541 39.087 -0.591 356 HD22 LEU 43 HD22 LEU 43 4.000 40.070 -0.711 357 HD23 LEU 43 HD23 LEU 43 3.336 39.447 0.910 358 H ILE 44 H ILE 44 2.460 37.914 3.305 359 HA ILE 44 HA ILE 44 1.586 35.572 4.782 360 HB ILE 44 HB ILE 44 2.158 38.321 5.951 361 HG12 ILE 44 HG12 ILE 44 4.219 37.282 5.483 362 HG13 ILE 44 HG13 ILE 44 3.976 37.335 7.179 363 HG21 ILE 44 HG21 ILE 44 1.108 35.712 7.117 364 HG22 ILE 44 HG22 ILE 44 0.287 37.206 7.278 365 HG23 ILE 44 HG23 ILE 44 1.881 37.018 8.171 366 HD11 ILE 44 HD11 ILE 44 4.773 35.264 7.069 367 HD12 ILE 44 HD12 ILE 44 4.198 34.859 5.397 368 HD13 ILE 44 HD13 ILE 44 3.142 34.730 6.821 369 H PHE 45 H PHE 45 -0.798 35.472 5.053 370 HA PHE 45 HA PHE 45 -2.300 37.814 4.508 371 HB2 PHE 45 HB2 PHE 45 -2.152 36.675 2.285 372 HB3 PHE 45 HB3 PHE 45 -2.592 35.148 3.038 373 HD1 PHE 45 HD1 PHE 45 -4.910 34.613 2.884 374 HD2 PHE 45 HD2 PHE 45 -3.805 38.697 2.724 375 HE1 PHE 45 HE1 PHE 45 -7.216 35.161 2.359 376 HE2 PHE 45 HE2 PHE 45 -6.184 39.382 2.695 377 HZ PHE 45 HZ PHE 45 -7.980 37.608 2.501 378 H ALA 46 H ALA 46 -4.027 37.808 5.922 379 HA ALA 46 HA ALA 46 -4.809 37.461 7.846 380 HB1 ALA 46 HB1 ALA 46 -6.620 36.651 6.363 381 HB2 ALA 46 HB2 ALA 46 -6.700 35.817 7.904 382 HB3 ALA 46 HB3 ALA 46 -5.975 34.958 6.606 383 H GLY 47 H GLY 47 -2.392 36.884 8.291 384 HA2 GLY 47 HA2 GLY 47 -1.188 36.292 10.217 385 HA3 GLY 47 HA3 GLY 47 -2.661 35.445 10.776 386 H LYS 48 H LYS 48 -1.532 34.644 7.705 387 HA LYS 48 HA LYS 48 0.549 32.810 8.634 388 HB2 LYS 48 HB2 LYS 48 -0.174 30.651 7.737 389 HB3 LYS 48 HB3 LYS 48 -0.948 31.220 9.222 390 HG2 LYS 48 HG2 LYS 48 -2.835 31.973 7.827 391 HG3 LYS 48 HG3 LYS 48 -2.075 31.110 6.468 392 HD2 LYS 48 HD2 LYS 48 -2.072 29.011 7.855 393 HD3 LYS 48 HD3 LYS 48 -3.079 29.691 9.090 394 HE2 LYS 48 HE2 LYS 48 -3.896 29.129 6.213 395 HE3 LYS 48 HE3 LYS 48 -4.557 28.326 7.596 396 HZ1 LYS 48 HZ1 LYS 48 -4.657 31.182 6.892 397 HZ2 LYS 48 HZ2 LYS 48 -5.372 30.618 8.296 398 HZ3 LYS 48 HZ3 LYS 48 -6.018 30.119 6.825 399 H GLN 49 H GLN 49 1.878 31.911 6.929 400 HA GLN 49 HA GLN 49 2.602 33.207 4.791 401 HB2 GLN 49 HB2 GLN 49 3.680 31.228 5.910 402 HB3 GLN 49 HB3 GLN 49 2.680 30.172 4.850 403 HG2 GLN 49 HG2 GLN 49 3.768 31.386 2.874 404 HG3 GLN 49 HG3 GLN 49 4.833 32.209 4.082 405 HE21 GLN 49 HE21 GLN 49 5.841 30.495 5.723 406 HE22 GLN 49 HE22 GLN 49 6.826 29.382 4.868 407 H LEU 50 H LEU 50 2.100 33.336 2.603 408 HA LEU 50 HA LEU 50 -0.089 31.955 1.384 409 HB2 LEU 50 HB2 LEU 50 1.639 34.215 0.496 410 HB3 LEU 50 HB3 LEU 50 0.610 33.323 -0.671 411 HG LEU 50 HG LEU 50 -0.190 35.186 1.658 412 HD11 LEU 50 HD11 LEU 50 -0.341 35.512 -1.359 413 HD12 LEU 50 HD12 LEU 50 0.609 36.409 -0.173 414 HD13 LEU 50 HD13 LEU 50 -1.163 36.576 -0.158 415 HD21 LEU 50 HD21 LEU 50 -2.505 34.848 0.957 416 HD22 LEU 50 HD22 LEU 50 -1.897 33.116 1.096 417 HD23 LEU 50 HD23 LEU 50 -1.967 33.948 -0.445 418 H GLU 51 H GLU 51 0.356 29.826 0.264 419 HA GLU 51 HA GLU 51 2.971 28.959 0.133 420 HB2 GLU 51 HB2 GLU 51 1.486 27.237 0.659 421 HB3 GLU 51 HB3 GLU 51 0.472 27.633 -0.743 422 HG2 GLU 51 HG2 GLU 51 2.182 26.633 -2.251 423 HG3 GLU 51 HG3 GLU 51 3.322 26.497 -0.828 424 H ASP 52 H ASP 52 4.312 29.899 -1.187 425 HA ASP 52 HA ASP 52 4.494 31.324 -3.180 426 HB2 ASP 52 HB2 ASP 52 5.850 28.639 -2.669 427 HB3 ASP 52 HB3 ASP 52 6.534 29.892 -3.877 428 H GLY 53 H GLY 53 4.035 27.861 -4.164 429 HA2 GLY 53 HA2 GLY 53 3.882 28.394 -6.823 430 HA3 GLY 53 HA3 GLY 53 3.322 26.954 -5.942 431 H ARG 54 H ARG 54 1.187 28.611 -4.388 432 HA ARG 54 HA ARG 54 -0.936 27.961 -6.199 433 HB2 ARG 54 HB2 ARG 54 -1.316 29.602 -3.633 434 HB3 ARG 54 HB3 ARG 54 -2.523 28.629 -4.513 435 HG2 ARG 54 HG2 ARG 54 -0.151 27.281 -3.195 436 HG3 ARG 54 HG3 ARG 54 -1.678 27.789 -2.397 437 HD2 ARG 54 HD2 ARG 54 -3.028 26.383 -3.576 438 HD3 ARG 54 HD3 ARG 54 -1.725 25.934 -4.786 439 HE ARG 54 HE ARG 54 -0.961 25.179 -2.061 440 HH11 ARG 54 HH11 ARG 54 -2.811 24.172 -4.882 441 HH12 ARG 54 HH12 ARG 54 -3.149 22.624 -4.158 442 HH21 ARG 54 HH21 ARG 54 -1.505 23.152 -1.223 443 HH22 ARG 54 HH22 ARG 54 -2.169 22.041 -2.387 444 H THR 55 H THR 55 -2.831 29.543 -6.778 445 HA THR 55 HA THR 55 -1.617 31.977 -7.636 446 HB THR 55 HB THR 55 -3.463 32.313 -9.268 447 HG1 THR 55 HG1 THR 55 -4.187 29.807 -8.239 448 HG21 THR 55 HG21 THR 55 -1.319 31.258 -9.671 449 HG22 THR 55 HG22 THR 55 -2.727 30.804 -10.815 450 HG23 THR 55 HG23 THR 55 -2.104 29.693 -9.609 451 H LEU 56 H LEU 56 -2.765 34.056 -7.693 452 HA LEU 56 HA LEU 56 -3.852 34.832 -5.178 453 HB2 LEU 56 HB2 LEU 56 -3.975 36.210 -7.888 454 HB3 LEU 56 HB3 LEU 56 -4.627 36.921 -6.404 455 HG LEU 56 HG LEU 56 -1.776 35.958 -6.588 456 HD11 LEU 56 HD11 LEU 56 -1.172 38.438 -7.159 457 HD12 LEU 56 HD12 LEU 56 -3.011 38.672 -7.618 458 HD13 LEU 56 HD13 LEU 56 -2.013 37.481 -8.457 459 HD21 LEU 56 HD21 LEU 56 -2.455 36.602 -4.360 460 HD22 LEU 56 HD22 LEU 56 -3.197 38.208 -4.970 461 HD23 LEU 56 HD23 LEU 56 -1.442 37.916 -4.958 462 H SER 57 H SER 57 -5.447 33.819 -8.101 463 HA SER 57 HA SER 57 -8.254 33.883 -7.309 464 HB2 SER 57 HB2 SER 57 -7.561 33.391 -9.819 465 HB3 SER 57 HB3 SER 57 -6.897 31.827 -9.197 466 HG SER 57 HG SER 57 -9.588 32.898 -9.031 467 H ASP 58 H ASP 58 -5.494 31.476 -6.667 468 HA ASP 58 HA ASP 58 -7.448 29.595 -5.696 469 HB2 ASP 58 HB2 ASP 58 -4.457 29.764 -5.155 470 HB3 ASP 58 HB3 ASP 58 -5.587 28.430 -4.643 471 H TYR 59 H TYR 59 -5.664 32.181 -3.997 472 HA TYR 59 HA TYR 59 -7.124 31.479 -1.518 473 HB2 TYR 59 HB2 TYR 59 -4.920 33.594 -2.149 474 HB3 TYR 59 HB3 TYR 59 -5.598 33.320 -0.567 475 HD1 TYR 59 HD1 TYR 59 -3.025 32.282 -2.812 476 HD2 TYR 59 HD2 TYR 59 -5.515 30.971 0.397 477 HE1 TYR 59 HE1 TYR 59 -1.226 30.825 -1.884 478 HE2 TYR 59 HE2 TYR 59 -3.804 29.418 1.197 479 HH TYR 59 HH TYR 59 -1.571 28.861 1.104 480 H ASN 60 H ASN 60 -8.245 32.904 -4.119 481 HA ASN 60 HA ASN 60 -9.161 34.627 -4.824 482 HB2 ASN 60 HB2 ASN 60 -10.886 34.249 -2.231 483 HB3 ASN 60 HB3 ASN 60 -11.338 35.261 -3.700 484 HD21 ASN 60 HD21 ASN 60 -10.758 31.830 -2.633 485 HD22 ASN 60 HD22 ASN 60 -11.910 31.270 -3.802 486 H ILE 61 H ILE 61 -7.187 35.893 -4.098 487 HA ILE 61 HA ILE 61 -7.497 38.072 -2.176 488 HB ILE 61 HB ILE 61 -5.088 37.269 -3.802 489 HG12 ILE 61 HG12 ILE 61 -5.684 36.971 -0.778 490 HG13 ILE 61 HG13 ILE 61 -6.080 35.760 -1.964 491 HG21 ILE 61 HG21 ILE 61 -3.828 38.753 -2.221 492 HG22 ILE 61 HG22 ILE 61 -5.381 39.596 -1.764 493 HG23 ILE 61 HG23 ILE 61 -4.793 39.524 -3.434 494 HD11 ILE 61 HD11 ILE 61 -3.594 35.514 -2.568 495 HD12 ILE 61 HD12 ILE 61 -3.894 35.274 -0.889 496 HD13 ILE 61 HD13 ILE 61 -3.157 36.791 -1.422 497 H GLN 62 H GLN 62 -8.747 39.849 -2.633 498 HA GLN 62 HA GLN 62 -8.950 40.494 -5.469 499 HB2 GLN 62 HB2 GLN 62 -10.567 41.723 -3.148 500 HB3 GLN 62 HB3 GLN 62 -10.826 41.678 -4.901 501 HG2 GLN 62 HG2 GLN 62 -11.133 39.466 -2.912 502 HG3 GLN 62 HG3 GLN 62 -12.328 40.159 -3.947 503 HE21 GLN 62 HE21 GLN 62 -10.903 40.043 -6.520 504 HE22 GLN 62 HE22 GLN 62 -11.327 38.427 -6.914 505 H LYS 63 H LYS 63 -9.013 42.699 -6.278 506 HA LYS 63 HA LYS 63 -6.829 44.328 -6.013 507 HB2 LYS 63 HB2 LYS 63 -8.278 46.094 -7.185 508 HB3 LYS 63 HB3 LYS 63 -8.554 44.405 -7.731 509 HG2 LYS 63 HG2 LYS 63 -10.806 44.385 -6.721 510 HG3 LYS 63 HG3 LYS 63 -10.357 45.780 -5.708 511 HD2 LYS 63 HD2 LYS 63 -10.250 47.314 -7.518 512 HD3 LYS 63 HD3 LYS 63 -10.898 46.144 -8.669 513 HE2 LYS 63 HE2 LYS 63 -12.987 45.965 -7.251 514 HE3 LYS 63 HE3 LYS 63 -12.244 47.178 -6.082 515 HZ1 LYS 63 HZ1 LYS 63 -13.834 48.137 -7.678 516 HZ2 LYS 63 HZ2 LYS 63 -12.768 47.801 -8.904 517 HZ3 LYS 63 HZ3 LYS 63 -12.237 48.768 -7.702 518 H GLU 64 H GLU 64 -5.846 45.789 -4.942 519 HA GLU 64 HA GLU 64 -5.200 47.098 -3.255 520 HB2 GLU 64 HB2 GLU 64 -8.235 47.830 -3.111 521 HB3 GLU 64 HB3 GLU 64 -6.825 48.678 -2.347 522 HG2 GLU 64 HG2 GLU 64 -5.909 49.326 -4.609 523 HG3 GLU 64 HG3 GLU 64 -7.130 48.328 -5.413 524 H SER 65 H SER 65 -6.160 44.195 -2.759 525 HA SER 65 HA SER 65 -6.066 44.223 0.034 526 HB2 SER 65 HB2 SER 65 -5.072 42.147 -2.009 527 HB3 SER 65 HB3 SER 65 -5.054 41.914 -0.222 528 HG SER 65 HG SER 65 -7.247 41.940 -1.842 529 H THR 66 H THR 66 -4.480 44.229 1.396 530 HA THR 66 HA THR 66 -1.875 45.178 0.617 531 HB THR 66 HB THR 66 -3.029 45.173 3.422 532 HG1 THR 66 HG1 THR 66 -4.127 46.635 2.156 533 HG21 THR 66 HG21 THR 66 -1.063 46.580 4.037 534 HG22 THR 66 HG22 THR 66 -0.583 46.715 2.378 535 HG23 THR 66 HG23 THR 66 -0.317 45.205 3.252 536 H LEU 67 H LEU 67 -0.385 43.516 0.511 537 HA LEU 67 HA LEU 67 -0.761 41.202 2.344 538 HB2 LEU 67 HB2 LEU 67 0.851 41.268 -0.181 539 HB3 LEU 67 HB3 LEU 67 0.577 39.813 0.856 540 HG LEU 67 HG LEU 67 -1.580 41.406 -0.722 541 HD11 LEU 67 HD11 LEU 67 -0.413 38.592 -1.433 542 HD12 LEU 67 HD12 LEU 67 -0.023 40.120 -2.286 543 HD13 LEU 67 HD13 LEU 67 -1.654 39.445 -2.252 544 HD21 LEU 67 HD21 LEU 67 -3.211 39.703 -0.249 545 HD22 LEU 67 HD22 LEU 67 -2.641 40.535 1.243 546 HD23 LEU 67 HD23 LEU 67 -1.979 38.950 0.858 547 H HIS 68 H HIS 68 0.581 41.152 4.157 548 HA HIS 68 HA HIS 68 2.823 42.788 4.225 549 HB2 HIS 68 HB2 HIS 68 2.037 40.442 6.056 550 HB3 HIS 68 HB3 HIS 68 3.482 41.411 6.377 551 HD1 HIS 68 HD1 HIS 68 -0.233 41.837 6.423 552 HD2 HIS 68 HD2 HIS 68 3.171 44.065 7.188 553 HE1 HIS 68 HE1 HIS 68 -0.919 43.774 7.714 554 H LEU 69 H LEU 69 4.882 42.295 3.839 555 HA LEU 69 HA LEU 69 5.716 39.594 2.656 556 HB2 LEU 69 HB2 LEU 69 5.842 41.517 0.906 557 HB3 LEU 69 HB3 LEU 69 6.639 42.413 2.211 558 HG LEU 69 HG LEU 69 8.623 40.759 2.063 559 HD11 LEU 69 HD11 LEU 69 7.201 39.798 -0.378 560 HD12 LEU 69 HD12 LEU 69 7.308 38.853 1.173 561 HD13 LEU 69 HD13 LEU 69 8.791 39.249 0.201 562 HD21 LEU 69 HD21 LEU 69 8.503 42.908 0.866 563 HD22 LEU 69 HD22 LEU 69 7.796 41.945 -0.562 564 HD23 LEU 69 HD23 LEU 69 9.452 41.640 -0.102 565 H VAL 70 H VAL 70 7.275 38.403 3.660 566 HA VAL 70 HA VAL 70 8.711 39.724 5.852 567 HB VAL 70 HB VAL 70 7.212 37.095 5.792 568 HG11 VAL 70 HG11 VAL 70 9.478 36.415 6.598 569 HG12 VAL 70 HG12 VAL 70 8.457 36.728 7.984 570 HG13 VAL 70 HG13 VAL 70 9.675 37.939 7.593 571 HG21 VAL 70 HG21 VAL 70 6.255 39.371 6.653 572 HG22 VAL 70 HG22 VAL 70 7.469 39.418 7.885 573 HG23 VAL 70 HG23 VAL 70 6.218 38.110 7.924 574 H LEU 71 H LEU 71 10.751 39.670 5.572 575 HA LEU 71 HA LEU 71 11.917 37.754 3.692 576 HB2 LEU 71 HB2 LEU 71 13.177 40.038 5.199 577 HB3 LEU 71 HB3 LEU 71 14.117 39.077 3.958 578 HG LEU 71 HG LEU 71 11.854 40.967 3.264 579 HD11 LEU 71 HD11 LEU 71 14.865 40.846 2.781 580 HD12 LEU 71 HD12 LEU 71 13.943 42.196 3.472 581 HD13 LEU 71 HD13 LEU 71 13.749 41.720 1.763 582 HD21 LEU 71 HD21 LEU 71 11.563 38.880 2.036 583 HD22 LEU 71 HD22 LEU 71 13.386 38.907 1.621 584 HD23 LEU 71 HD23 LEU 71 12.252 40.120 1.028 585 H ARG 72 H ARG 72 13.233 36.123 4.065 586 HA ARG 72 HA ARG 72 13.131 34.929 6.730 587 HB2 ARG 72 HB2 ARG 72 14.057 33.913 3.966 588 HB3 ARG 72 HB3 ARG 72 14.055 32.959 5.468 589 HG2 ARG 72 HG2 ARG 72 11.639 33.040 5.628 590 HG3 ARG 72 HG3 ARG 72 11.424 34.200 4.309 591 HD2 ARG 72 HD2 ARG 72 10.687 32.364 3.174 592 HD3 ARG 72 HD3 ARG 72 12.363 32.269 2.745 593 HE ARG 72 HE ARG 72 12.158 30.811 5.256 594 HH11 ARG 72 HH11 ARG 72 11.444 30.575 1.872 595 HH12 ARG 72 HH12 ARG 72 11.187 28.876 2.050 596 HH21 ARG 72 HH21 ARG 72 12.051 28.745 5.290 597 HH22 ARG 72 HH22 ARG 72 12.109 27.799 3.860 598 H LEU 73 H LEU 73 14.635 35.842 8.135 599 HA LEU 73 HA LEU 73 17.403 35.445 7.297 600 HB2 LEU 73 HB2 LEU 73 16.123 37.460 9.246 601 HB3 LEU 73 HB3 LEU 73 17.814 36.878 9.360 602 HG LEU 73 HG LEU 73 17.793 39.029 8.314 603 HD11 LEU 73 HD11 LEU 73 18.509 36.863 6.291 604 HD12 LEU 73 HD12 LEU 73 19.312 37.152 7.781 605 HD13 LEU 73 HD13 LEU 73 19.175 38.549 6.603 606 HD21 LEU 73 HD21 LEU 73 15.600 38.905 7.114 607 HD22 LEU 73 HD22 LEU 73 16.177 37.729 5.951 608 HD23 LEU 73 HD23 LEU 73 16.934 39.344 5.997 609 H ARG 74 H ARG 74 14.806 34.194 9.104 610 HA ARG 74 HA ARG 74 16.674 32.583 10.775 611 HB2 ARG 74 HB2 ARG 74 13.775 33.752 11.334 612 HB3 ARG 74 HB3 ARG 74 14.777 32.766 12.501 613 HG2 ARG 74 HG2 ARG 74 15.547 35.584 11.427 614 HG3 ARG 74 HG3 ARG 74 14.522 35.378 12.845 615 HD2 ARG 74 HD2 ARG 74 16.293 34.063 13.955 616 HD3 ARG 74 HD3 ARG 74 17.338 34.221 12.558 617 HE ARG 74 HE ARG 74 16.248 36.895 13.343 618 HH11 ARG 74 HH11 ARG 74 18.701 34.631 14.136 619 HH12 ARG 74 HH12 ARG 74 19.574 35.772 15.071 620 HH21 ARG 74 HH21 ARG 74 17.341 38.284 14.738 621 HH22 ARG 74 HH22 ARG 74 18.807 37.657 15.472 622 H GLY 75 H GLY 75 15.777 30.817 11.798 623 HA2 GLY 75 HA2 GLY 75 15.180 28.710 10.074 624 HA3 GLY 75 HA3 GLY 75 14.846 28.735 11.860 625 H GLY 76 H GLY 76 13.529 27.556 9.368 626 HA2 GLY 76 HA2 GLY 76 11.417 26.681 9.392 627 HA3 GLY 76 HA3 GLY 76 10.922 27.993 10.290 Start of MODEL 7 1 H MET 1 HT1 MET 1 -5.604 43.567 -12.906 2 HA MET 1 HA MET 1 -5.534 45.697 -11.685 3 HB2 MET 1 HB2 MET 1 -7.245 44.826 -10.211 4 HB3 MET 1 HB3 MET 1 -7.066 43.455 -11.279 5 HG2 MET 1 HG2 MET 1 -5.848 43.787 -8.435 6 HG3 MET 1 HG3 MET 1 -7.352 43.004 -8.971 7 HE1 MET 1 HE1 MET 1 -7.007 40.460 -8.039 8 HE2 MET 1 HE2 MET 1 -5.969 41.609 -7.114 9 HE3 MET 1 HE3 MET 1 -5.261 40.079 -7.693 10 H GLN 2 H GLN 2 -4.952 46.819 -9.597 11 HA GLN 2 HA GLN 2 -2.324 45.941 -8.767 12 HB2 GLN 2 HB2 GLN 2 -2.212 48.039 -7.473 13 HB3 GLN 2 HB3 GLN 2 -2.763 48.297 -9.131 14 HG2 GLN 2 HG2 GLN 2 -5.208 48.420 -8.290 15 HG3 GLN 2 HG3 GLN 2 -4.510 48.193 -6.598 16 HE21 GLN 2 HE21 GLN 2 -3.179 49.924 -5.783 17 HE22 GLN 2 HE22 GLN 2 -3.347 51.495 -6.475 18 H ILE 3 H ILE 3 -1.611 45.704 -6.698 19 HA ILE 3 HA ILE 3 -3.333 45.213 -4.478 20 HB ILE 3 HB ILE 3 -2.691 43.066 -3.797 21 HG12 ILE 3 HG12 ILE 3 -1.765 41.438 -5.589 22 HG13 ILE 3 HG13 ILE 3 -1.126 42.845 -6.472 23 HG21 ILE 3 HG21 ILE 3 -3.930 41.740 -5.390 24 HG22 ILE 3 HG22 ILE 3 -3.931 42.892 -6.705 25 HG23 ILE 3 HG23 ILE 3 -4.745 43.261 -5.107 26 HD11 ILE 3 HD11 ILE 3 -0.438 42.127 -3.476 27 HD12 ILE 3 HD12 ILE 3 0.373 43.368 -4.513 28 HD13 ILE 3 HD13 ILE 3 0.582 41.608 -4.836 29 H PHE 4 H PHE 4 -2.202 45.104 -2.373 30 HA PHE 4 HA PHE 4 0.202 46.637 -2.680 31 HB2 PHE 4 HB2 PHE 4 -2.068 46.606 -0.442 32 HB3 PHE 4 HB3 PHE 4 -0.602 47.556 -0.334 33 HD1 PHE 4 HD1 PHE 4 -4.133 47.999 -1.380 34 HD2 PHE 4 HD2 PHE 4 -0.060 49.139 -2.323 35 HE1 PHE 4 HE1 PHE 4 -4.894 49.765 -2.712 36 HE2 PHE 4 HE2 PHE 4 -1.019 50.933 -3.753 37 HZ PHE 4 HZ PHE 4 -3.436 51.328 -3.879 38 H VAL 5 H VAL 5 2.095 46.051 -1.499 39 HA VAL 5 HA VAL 5 1.884 43.779 0.420 40 HB VAL 5 HB VAL 5 4.256 44.281 -1.340 41 HG11 VAL 5 HG11 VAL 5 4.894 41.995 -0.597 42 HG12 VAL 5 HG12 VAL 5 3.530 41.981 0.566 43 HG13 VAL 5 HG13 VAL 5 4.963 43.082 0.731 44 HG21 VAL 5 HG21 VAL 5 1.823 42.559 -1.590 45 HG22 VAL 5 HG22 VAL 5 3.408 41.889 -2.125 46 HG23 VAL 5 HG23 VAL 5 2.680 43.397 -2.847 47 H LYS 6 H LYS 6 2.694 44.243 2.187 48 HA LYS 6 HA LYS 6 3.838 46.878 2.783 49 HB2 LYS 6 HB2 LYS 6 2.719 44.760 4.568 50 HB3 LYS 6 HB3 LYS 6 3.439 46.157 5.331 51 HG2 LYS 6 HG2 LYS 6 1.066 46.242 3.415 52 HG3 LYS 6 HG3 LYS 6 0.852 46.234 5.124 53 HD2 LYS 6 HD2 LYS 6 1.777 48.286 5.356 54 HD3 LYS 6 HD3 LYS 6 2.586 48.384 3.796 55 HE2 LYS 6 HE2 LYS 6 0.206 48.615 2.798 56 HE3 LYS 6 HE3 LYS 6 -0.432 48.510 4.538 57 HZ1 LYS 6 HZ1 LYS 6 1.139 50.560 3.168 58 HZ2 LYS 6 HZ2 LYS 6 1.187 50.472 4.858 59 HZ3 LYS 6 HZ3 LYS 6 -0.286 50.859 4.049 60 H THR 7 H THR 7 6.276 46.499 2.569 61 HA THR 7 HA THR 7 7.426 44.042 3.016 62 HB THR 7 HB THR 7 9.571 45.058 2.889 63 HG1 THR 7 HG1 THR 7 9.595 47.298 2.512 64 HG21 THR 7 HG21 THR 7 9.275 46.248 0.724 65 HG22 THR 7 HG22 THR 7 7.555 46.427 0.977 66 HG23 THR 7 HG23 THR 7 8.360 44.764 0.725 67 H LEU 8 H LEU 8 9.095 43.467 4.896 68 HA LEU 8 HA LEU 8 8.520 44.052 7.540 69 HB2 LEU 8 HB2 LEU 8 9.574 42.087 6.955 70 HB3 LEU 8 HB3 LEU 8 11.133 42.971 6.522 71 HG LEU 8 HG LEU 8 11.229 43.581 8.980 72 HD11 LEU 8 HD11 LEU 8 8.758 41.676 9.083 73 HD12 LEU 8 HD12 LEU 8 8.804 43.352 9.727 74 HD13 LEU 8 HD13 LEU 8 9.696 42.080 10.446 75 HD21 LEU 8 HD21 LEU 8 12.439 41.904 8.200 76 HD22 LEU 8 HD22 LEU 8 11.153 40.605 8.170 77 HD23 LEU 8 HD23 LEU 8 11.615 41.281 9.744 78 H THR 9 H THR 9 10.760 45.936 5.450 79 HA THR 9 HA THR 9 11.821 47.514 7.393 80 HB THR 9 HB THR 9 11.310 48.473 4.577 81 HG1 THR 9 HG1 THR 9 13.281 46.846 5.782 82 HG21 THR 9 HG21 THR 9 13.674 48.838 6.616 83 HG22 THR 9 HG22 THR 9 12.326 49.984 6.566 84 HG23 THR 9 HG23 THR 9 13.390 49.778 5.119 85 H GLY 10 H GLY 10 8.747 47.651 5.595 86 HA2 GLY 10 HA2 GLY 10 6.844 48.592 6.370 87 HA3 GLY 10 HA3 GLY 10 7.697 49.871 7.174 88 H LYS 11 H LYS 11 8.221 48.700 3.830 89 HA LYS 11 HA LYS 11 7.257 51.306 2.773 90 HB2 LYS 11 HB2 LYS 11 9.419 50.593 2.189 91 HB3 LYS 11 HB3 LYS 11 8.973 49.128 1.348 92 HG2 LYS 11 HG2 LYS 11 7.872 50.753 -0.419 93 HG3 LYS 11 HG3 LYS 11 8.438 52.082 0.681 94 HD2 LYS 11 HD2 LYS 11 10.664 51.411 0.544 95 HD3 LYS 11 HD3 LYS 11 10.491 50.006 -0.413 96 HE2 LYS 11 HE2 LYS 11 9.940 52.996 -1.458 97 HE3 LYS 11 HE3 LYS 11 11.389 51.878 -1.642 98 HZ1 LYS 11 HZ1 LYS 11 8.632 51.291 -2.677 99 HZ2 LYS 11 HZ2 LYS 11 9.883 50.252 -2.551 100 HZ3 LYS 11 HZ3 LYS 11 10.017 51.549 -3.566 101 H THR 12 H THR 12 5.564 51.461 1.320 102 HA THR 12 HA THR 12 3.943 48.916 0.989 103 HB THR 12 HB THR 12 3.122 51.836 0.711 104 HG1 THR 12 HG1 THR 12 3.208 51.337 2.664 105 HG21 THR 12 HG21 THR 12 1.981 50.302 -0.959 106 HG22 THR 12 HG22 THR 12 0.966 50.911 0.435 107 HG23 THR 12 HG23 THR 12 1.570 49.195 0.270 108 H ILE 13 H ILE 13 4.348 47.858 -0.796 109 HA ILE 13 HA ILE 13 5.223 49.275 -3.200 110 HB ILE 13 HB ILE 13 4.767 46.332 -3.004 111 HG12 ILE 13 HG12 ILE 13 5.999 46.936 -1.009 112 HG13 ILE 13 HG13 ILE 13 6.868 46.005 -2.245 113 HG21 ILE 13 HG21 ILE 13 6.674 48.115 -4.539 114 HG22 ILE 13 HG22 ILE 13 5.276 47.205 -5.228 115 HG23 ILE 13 HG23 ILE 13 6.726 46.373 -4.612 116 HD11 ILE 13 HD11 ILE 13 8.090 47.957 -0.861 117 HD12 ILE 13 HD12 ILE 13 7.142 49.009 -1.954 118 HD13 ILE 13 HD13 ILE 13 8.299 47.861 -2.705 119 H THR 14 H THR 14 3.905 49.528 -4.964 120 HA THR 14 HA THR 14 1.272 48.193 -4.781 121 HB THR 14 HB THR 14 1.916 50.502 -6.789 122 HG1 THR 14 HG1 THR 14 1.799 51.005 -4.432 123 HG21 THR 14 HG21 THR 14 -0.086 48.966 -7.402 124 HG22 THR 14 HG22 THR 14 -0.492 50.639 -7.090 125 HG23 THR 14 HG23 THR 14 -0.783 49.397 -5.803 126 H LEU 15 H LEU 15 0.993 46.426 -6.267 127 HA LEU 15 HA LEU 15 2.799 46.549 -8.501 128 HB2 LEU 15 HB2 LEU 15 2.000 44.125 -6.974 129 HB3 LEU 15 HB3 LEU 15 3.216 44.086 -8.275 130 HG LEU 15 HG LEU 15 4.329 45.873 -6.459 131 HD11 LEU 15 HD11 LEU 15 2.865 43.590 -5.034 132 HD12 LEU 15 HD12 LEU 15 2.566 45.308 -4.730 133 HD13 LEU 15 HD13 LEU 15 4.128 44.660 -4.210 134 HD21 LEU 15 HD21 LEU 15 5.959 44.015 -5.894 135 HD22 LEU 15 HD22 LEU 15 5.715 44.256 -7.688 136 HD23 LEU 15 HD23 LEU 15 4.953 42.918 -6.939 137 H GLU 16 H GLU 16 2.093 46.177 -10.507 138 HA GLU 16 HA GLU 16 -0.646 45.570 -10.742 139 HB2 GLU 16 HB2 GLU 16 0.172 47.455 -12.008 140 HB3 GLU 16 HB3 GLU 16 1.292 46.514 -12.860 141 HG2 GLU 16 HG2 GLU 16 -0.537 46.953 -14.293 142 HG3 GLU 16 HG3 GLU 16 -0.289 45.223 -14.110 143 H VAL 17 H VAL 17 -1.463 43.599 -11.119 144 HA VAL 17 HA VAL 17 0.140 41.529 -12.451 145 HB VAL 17 HB VAL 17 -0.401 39.859 -10.502 146 HG11 VAL 17 HG11 VAL 17 1.586 40.305 -9.369 147 HG12 VAL 17 HG12 VAL 17 1.372 42.082 -9.589 148 HG13 VAL 17 HG13 VAL 17 1.752 40.930 -11.003 149 HG21 VAL 17 HG21 VAL 17 -2.143 41.326 -9.496 150 HG22 VAL 17 HG22 VAL 17 -0.918 42.474 -8.865 151 HG23 VAL 17 HG23 VAL 17 -0.924 40.746 -8.286 152 H GLU 18 H GLU 18 -1.136 39.568 -12.841 153 HA GLU 18 HA GLU 18 -3.870 40.398 -13.317 154 HB2 GLU 18 HB2 GLU 18 -2.438 37.843 -14.224 155 HB3 GLU 18 HB3 GLU 18 -4.148 38.256 -14.644 156 HG2 GLU 18 HG2 GLU 18 -3.574 40.162 -15.895 157 HG3 GLU 18 HG3 GLU 18 -1.784 40.074 -15.559 158 HA PRO 19 HA PRO 19 -5.346 37.716 -10.100 159 HB2 PRO 19 HB2 PRO 19 -7.716 36.717 -10.929 160 HB3 PRO 19 HB3 PRO 19 -7.362 38.345 -10.257 161 HG2 PRO 19 HG2 PRO 19 -7.514 37.510 -13.167 162 HG3 PRO 19 HG3 PRO 19 -8.361 38.895 -12.568 163 HD2 PRO 19 HD2 PRO 19 -5.912 39.083 -13.839 164 HD3 PRO 19 HD3 PRO 19 -6.159 40.139 -12.397 165 H SER 20 H SER 20 -4.117 36.187 -12.993 166 HA SER 20 HA SER 20 -4.490 33.533 -11.768 167 HB2 SER 20 HB2 SER 20 -4.097 32.530 -13.990 168 HB3 SER 20 HB3 SER 20 -5.507 33.711 -14.019 169 HG SER 20 HG SER 20 -4.571 34.744 -15.374 170 H ASP 21 H ASP 21 -2.212 36.184 -11.856 171 HA ASP 21 HA ASP 21 0.004 34.644 -12.380 172 HB2 ASP 21 HB2 ASP 21 -0.339 37.225 -10.860 173 HB3 ASP 21 HB3 ASP 21 1.250 36.548 -11.241 174 H THR 22 H THR 22 1.632 33.739 -10.686 175 HA THR 22 HA THR 22 0.243 32.775 -8.264 176 HB THR 22 HB THR 22 2.101 31.237 -7.983 177 HG1 THR 22 HG1 THR 22 3.116 32.348 -10.283 178 HG21 THR 22 HG21 THR 22 1.565 31.107 -11.058 179 HG22 THR 22 HG22 THR 22 0.448 30.468 -9.910 180 HG23 THR 22 HG23 THR 22 2.104 29.743 -9.997 181 H ILE 23 H ILE 23 1.321 32.573 -6.200 182 HA ILE 23 HA ILE 23 2.473 35.023 -5.178 183 HB ILE 23 HB ILE 23 2.721 32.307 -4.055 184 HG12 ILE 23 HG12 ILE 23 0.258 33.202 -4.608 185 HG13 ILE 23 HG13 ILE 23 0.716 32.608 -2.991 186 HG21 ILE 23 HG21 ILE 23 3.036 35.167 -3.029 187 HG22 ILE 23 HG22 ILE 23 4.263 33.822 -3.162 188 HG23 ILE 23 HG23 ILE 23 2.946 33.654 -1.971 189 HD11 ILE 23 HD11 ILE 23 -0.718 34.635 -3.179 190 HD12 ILE 23 HD12 ILE 23 0.578 35.509 -3.927 191 HD13 ILE 23 HD13 ILE 23 0.664 34.970 -2.124 192 H GLU 24 H GLU 24 4.284 32.033 -6.296 193 HA GLU 24 HA GLU 24 6.683 33.080 -5.904 194 HB2 GLU 24 HB2 GLU 24 6.901 30.925 -6.600 195 HB3 GLU 24 HB3 GLU 24 5.531 30.985 -7.629 196 HG2 GLU 24 HG2 GLU 24 6.760 32.028 -9.374 197 HG3 GLU 24 HG3 GLU 24 8.215 32.194 -8.308 198 H ASN 25 H ASN 25 4.717 33.777 -8.852 199 HA ASN 25 HA ASN 25 6.691 35.536 -9.887 200 HB2 ASN 25 HB2 ASN 25 3.698 35.928 -10.429 201 HB3 ASN 25 HB3 ASN 25 4.965 36.361 -11.500 202 HD21 ASN 25 HD21 ASN 25 6.542 34.317 -12.193 203 HD22 ASN 25 HD22 ASN 25 5.702 32.909 -12.460 204 H VAL 26 H VAL 26 3.972 36.186 -7.709 205 HA VAL 26 HA VAL 26 4.371 38.914 -7.532 206 HB VAL 26 HB VAL 26 3.372 37.176 -5.428 207 HG11 VAL 26 HG11 VAL 26 4.467 39.078 -4.306 208 HG12 VAL 26 HG12 VAL 26 2.613 39.308 -4.396 209 HG13 VAL 26 HG13 VAL 26 3.742 40.287 -5.363 210 HG21 VAL 26 HG21 VAL 26 1.978 39.224 -7.317 211 HG22 VAL 26 HG22 VAL 26 1.244 38.170 -5.957 212 HG23 VAL 26 HG23 VAL 26 1.891 37.460 -7.452 213 H LYS 27 H LYS 27 6.106 36.449 -5.325 214 HA LYS 27 HA LYS 27 8.064 38.007 -4.409 215 HB2 LYS 27 HB2 LYS 27 8.120 35.046 -5.147 216 HB3 LYS 27 HB3 LYS 27 9.283 35.836 -4.190 217 HG2 LYS 27 HG2 LYS 27 7.748 36.640 -2.387 218 HG3 LYS 27 HG3 LYS 27 6.420 36.071 -3.370 219 HD2 LYS 27 HD2 LYS 27 7.243 33.735 -3.322 220 HD3 LYS 27 HD3 LYS 27 8.645 34.321 -2.341 221 HE2 LYS 27 HE2 LYS 27 7.326 35.059 -0.488 222 HE3 LYS 27 HE3 LYS 27 5.760 34.627 -1.342 223 HZ1 LYS 27 HZ1 LYS 27 8.033 32.860 -0.568 224 HZ2 LYS 27 HZ2 LYS 27 6.790 32.337 -1.572 225 HZ3 LYS 27 HZ3 LYS 27 6.441 32.769 0.056 226 H ALA 28 H ALA 28 8.026 36.628 -7.684 227 HA ALA 28 HA ALA 28 10.687 37.439 -8.250 228 HB1 ALA 28 HB1 ALA 28 9.464 35.941 -9.766 229 HB2 ALA 28 HB2 ALA 28 10.200 37.373 -10.578 230 HB3 ALA 28 HB3 ALA 28 8.437 37.311 -10.168 231 H LYS 29 H LYS 29 7.608 39.235 -8.619 232 HA LYS 29 HA LYS 29 8.680 41.469 -9.769 233 HB2 LYS 29 HB2 LYS 29 6.175 40.853 -8.238 234 HB3 LYS 29 HB3 LYS 29 6.671 42.606 -8.583 235 HG2 LYS 29 HG2 LYS 29 5.126 41.807 -10.355 236 HG3 LYS 29 HG3 LYS 29 6.838 42.231 -10.743 237 HD2 LYS 29 HD2 LYS 29 7.397 39.991 -11.250 238 HD3 LYS 29 HD3 LYS 29 5.921 39.301 -10.803 239 HE2 LYS 29 HE2 LYS 29 5.801 39.599 -13.236 240 HE3 LYS 29 HE3 LYS 29 4.711 40.751 -12.385 241 HZ1 LYS 29 HZ1 LYS 29 6.046 42.554 -12.993 242 HZ2 LYS 29 HZ2 LYS 29 6.303 41.600 -14.338 243 HZ3 LYS 29 HZ3 LYS 29 7.476 41.683 -13.138 244 H ILE 30 H ILE 30 8.238 40.668 -6.419 245 HA ILE 30 HA ILE 30 9.214 43.037 -5.168 246 HB ILE 30 HB ILE 30 8.791 40.267 -4.174 247 HG12 ILE 30 HG12 ILE 30 6.691 41.671 -4.659 248 HG13 ILE 30 HG13 ILE 30 6.891 41.231 -3.004 249 HG21 ILE 30 HG21 ILE 30 9.183 41.263 -1.888 250 HG22 ILE 30 HG22 ILE 30 9.697 42.756 -2.647 251 HG23 ILE 30 HG23 ILE 30 10.685 41.197 -2.811 252 HD11 ILE 30 HD11 ILE 30 6.106 43.551 -3.259 253 HD12 ILE 30 HD12 ILE 30 7.736 44.028 -3.865 254 HD13 ILE 30 HD13 ILE 30 7.565 43.453 -2.243 255 H GLN 31 H GLN 31 10.904 40.126 -6.203 256 HA GLN 31 HA GLN 31 13.428 40.968 -5.334 257 HB2 GLN 31 HB2 GLN 31 13.332 38.705 -5.771 258 HB3 GLN 31 HB3 GLN 31 12.564 38.971 -7.342 259 HG2 GLN 31 HG2 GLN 31 14.957 38.176 -7.775 260 HG3 GLN 31 HG3 GLN 31 14.523 39.801 -8.374 261 HE21 GLN 31 HE21 GLN 31 16.315 41.090 -8.267 262 HE22 GLN 31 HE22 GLN 31 17.531 40.955 -7.035 263 H ASP 32 H ASP 32 11.930 41.417 -8.568 264 HA ASP 32 HA ASP 32 14.010 43.097 -9.653 265 HB2 ASP 32 HB2 ASP 32 11.009 42.762 -10.169 266 HB3 ASP 32 HB3 ASP 32 12.006 43.767 -11.226 267 H LYS 33 H LYS 33 11.215 44.183 -7.701 268 HA LYS 33 HA LYS 33 11.847 47.065 -8.254 269 HB2 LYS 33 HB2 LYS 33 9.723 45.749 -6.578 270 HB3 LYS 33 HB3 LYS 33 9.924 47.477 -7.016 271 HG2 LYS 33 HG2 LYS 33 9.357 45.109 -9.040 272 HG3 LYS 33 HG3 LYS 33 8.107 46.175 -8.500 273 HD2 LYS 33 HD2 LYS 33 9.739 48.147 -9.228 274 HD3 LYS 33 HD3 LYS 33 10.401 46.920 -10.269 275 HE2 LYS 33 HE2 LYS 33 8.043 46.597 -11.117 276 HE3 LYS 33 HE3 LYS 33 7.472 47.915 -10.121 277 HZ1 LYS 33 HZ1 LYS 33 9.551 48.197 -12.215 278 HZ2 LYS 33 HZ2 LYS 33 8.957 49.474 -11.236 279 HZ3 LYS 33 HZ3 LYS 33 7.963 48.778 -12.373 280 H GLU 34 H GLU 34 12.067 44.640 -5.450 281 HA GLU 34 HA GLU 34 13.048 46.890 -3.907 282 HB2 GLU 34 HB2 GLU 34 11.564 44.424 -3.031 283 HB3 GLU 34 HB3 GLU 34 12.613 45.542 -1.988 284 HG2 GLU 34 HG2 GLU 34 10.205 46.491 -3.646 285 HG3 GLU 34 HG3 GLU 34 10.172 46.058 -1.850 286 H GLY 35 H GLY 35 14.324 44.167 -5.553 287 HA2 GLY 35 HA2 GLY 35 16.439 43.059 -5.389 288 HA3 GLY 35 HA3 GLY 35 16.906 44.401 -4.329 289 H ILE 36 H ILE 36 14.645 41.604 -4.119 290 HA ILE 36 HA ILE 36 15.471 41.130 -1.319 291 HB ILE 36 HB ILE 36 12.821 41.267 -2.560 292 HG12 ILE 36 HG12 ILE 36 14.328 42.687 -0.343 293 HG13 ILE 36 HG13 ILE 36 13.807 43.497 -1.765 294 HG21 ILE 36 HG21 ILE 36 13.002 39.177 -0.962 295 HG22 ILE 36 HG22 ILE 36 11.742 40.363 -0.772 296 HG23 ILE 36 HG23 ILE 36 13.181 40.385 0.343 297 HD11 ILE 36 HD11 ILE 36 11.326 43.016 -0.981 298 HD12 ILE 36 HD12 ILE 36 12.188 43.953 0.150 299 HD13 ILE 36 HD13 ILE 36 11.965 42.279 0.562 300 HA PRO 37 HA PRO 37 16.514 36.946 -3.262 301 HB2 PRO 37 HB2 PRO 37 16.315 36.718 -0.143 302 HB3 PRO 37 HB3 PRO 37 17.406 35.795 -1.247 303 HG2 PRO 37 HG2 PRO 37 18.381 37.887 -0.145 304 HG3 PRO 37 HG3 PRO 37 18.622 37.689 -1.937 305 HD2 PRO 37 HD2 PRO 37 16.685 39.400 -0.405 306 HD3 PRO 37 HD3 PRO 37 17.577 39.919 -1.861 307 HA PRO 38 HA PRO 38 12.295 35.786 -3.352 308 HB2 PRO 38 HB2 PRO 38 12.561 33.588 -5.311 309 HB3 PRO 38 HB3 PRO 38 12.054 35.277 -5.649 310 HG2 PRO 38 HG2 PRO 38 14.753 33.893 -5.849 311 HG3 PRO 38 HG3 PRO 38 14.166 35.371 -6.784 312 HD2 PRO 38 HD2 PRO 38 15.974 35.772 -4.869 313 HD3 PRO 38 HD3 PRO 38 14.669 36.905 -5.221 314 H ASP 39 H ASP 39 14.899 33.555 -2.671 315 HA ASP 39 HA ASP 39 13.192 31.448 -1.853 316 HB2 ASP 39 HB2 ASP 39 15.314 30.423 -1.177 317 HB3 ASP 39 HB3 ASP 39 15.201 30.983 -2.942 318 H GLN 40 H GLN 40 14.588 34.324 -0.254 319 HA GLN 40 HA GLN 40 13.884 33.236 2.376 320 HB2 GLN 40 HB2 GLN 40 14.917 36.033 1.537 321 HB3 GLN 40 HB3 GLN 40 14.747 35.560 3.231 322 HG2 GLN 40 HG2 GLN 40 16.641 34.421 1.137 323 HG3 GLN 40 HG3 GLN 40 17.070 35.253 2.659 324 HE21 GLN 40 HE21 GLN 40 16.144 32.236 1.135 325 HE22 GLN 40 HE22 GLN 40 16.139 31.230 2.489 326 H GLN 41 H GLN 41 12.021 34.995 0.163 327 HA GLN 41 HA GLN 41 10.599 36.676 1.907 328 HB2 GLN 41 HB2 GLN 41 10.093 35.629 -0.911 329 HB3 GLN 41 HB3 GLN 41 8.883 36.606 0.002 330 HG2 GLN 41 HG2 GLN 41 10.489 38.417 0.063 331 HG3 GLN 41 HG3 GLN 41 11.744 37.400 -0.792 332 HE21 GLN 41 HE21 GLN 41 11.886 38.104 -2.941 333 HE22 GLN 41 HE22 GLN 41 10.582 38.348 -4.000 334 H ARG 42 H ARG 42 9.275 36.028 3.562 335 HA ARG 42 HA ARG 42 7.260 33.965 2.765 336 HB2 ARG 42 HB2 ARG 42 7.620 35.207 5.582 337 HB3 ARG 42 HB3 ARG 42 6.622 33.813 5.068 338 HG2 ARG 42 HG2 ARG 42 9.673 33.926 4.719 339 HG3 ARG 42 HG3 ARG 42 8.860 33.188 6.132 340 HD2 ARG 42 HD2 ARG 42 7.798 31.562 4.738 341 HD3 ARG 42 HD3 ARG 42 8.269 32.268 3.148 342 HE ARG 42 HE ARG 42 10.076 30.807 5.170 343 HH11 ARG 42 HH11 ARG 42 9.916 32.279 1.983 344 HH12 ARG 42 HH12 ARG 42 11.319 31.382 1.465 345 HH21 ARG 42 HH21 ARG 42 12.206 30.156 4.505 346 HH22 ARG 42 HH22 ARG 42 12.612 30.508 2.934 347 H LEU 43 H LEU 43 5.324 34.756 1.848 348 HA LEU 43 HA LEU 43 4.596 37.419 2.604 349 HB2 LEU 43 HB2 LEU 43 3.680 35.572 0.385 350 HB3 LEU 43 HB3 LEU 43 2.818 37.032 0.617 351 HG LEU 43 HG LEU 43 5.755 37.075 -0.123 352 HD11 LEU 43 HD11 LEU 43 4.445 36.419 -2.032 353 HD12 LEU 43 HD12 LEU 43 4.878 38.140 -2.138 354 HD13 LEU 43 HD13 LEU 43 3.208 37.754 -1.785 355 HD21 LEU 43 HD21 LEU 43 3.654 39.142 0.300 356 HD22 LEU 43 HD22 LEU 43 5.379 39.489 -0.314 357 HD23 LEU 43 HD23 LEU 43 5.028 38.961 1.381 358 H ILE 44 H ILE 44 3.031 37.813 4.036 359 HA ILE 44 HA ILE 44 1.247 35.639 4.865 360 HB ILE 44 HB ILE 44 1.884 37.991 6.566 361 HG12 ILE 44 HG12 ILE 44 3.904 37.383 6.166 362 HG13 ILE 44 HG13 ILE 44 3.510 36.675 7.752 363 HG21 ILE 44 HG21 ILE 44 1.201 35.084 7.435 364 HG22 ILE 44 HG22 ILE 44 -0.030 36.297 7.126 365 HG23 ILE 44 HG23 ILE 44 1.129 36.558 8.438 366 HD11 ILE 44 HD11 ILE 44 4.961 35.065 6.650 367 HD12 ILE 44 HD12 ILE 44 3.931 34.944 5.163 368 HD13 ILE 44 HD13 ILE 44 3.375 34.518 6.872 369 H PHE 45 H PHE 45 -0.849 35.748 4.745 370 HA PHE 45 HA PHE 45 -2.000 38.349 4.157 371 HB2 PHE 45 HB2 PHE 45 -1.689 36.902 1.959 372 HB3 PHE 45 HB3 PHE 45 -2.691 35.650 2.758 373 HD1 PHE 45 HD1 PHE 45 -3.376 39.487 2.133 374 HD2 PHE 45 HD2 PHE 45 -4.650 35.448 1.832 375 HE1 PHE 45 HE1 PHE 45 -5.619 40.327 1.885 376 HE2 PHE 45 HE2 PHE 45 -6.901 36.324 0.955 377 HZ PHE 45 HZ PHE 45 -7.401 38.806 1.088 378 H ALA 46 H ALA 46 -3.587 38.738 5.673 379 HA ALA 46 HA ALA 46 -4.869 38.472 7.471 380 HB1 ALA 46 HB1 ALA 46 -6.733 37.062 7.455 381 HB2 ALA 46 HB2 ALA 46 -6.137 35.943 6.228 382 HB3 ALA 46 HB3 ALA 46 -6.451 37.583 5.701 383 H GLY 47 H GLY 47 -2.320 37.354 7.621 384 HA2 GLY 47 HA2 GLY 47 -1.191 36.513 9.352 385 HA3 GLY 47 HA3 GLY 47 -2.708 35.966 10.083 386 H LYS 48 H LYS 48 -2.201 34.839 6.910 387 HA LYS 48 HA LYS 48 -1.243 32.321 7.961 388 HB2 LYS 48 HB2 LYS 48 -3.281 32.636 5.749 389 HB3 LYS 48 HB3 LYS 48 -2.509 31.064 6.142 390 HG2 LYS 48 HG2 LYS 48 -4.125 32.898 7.991 391 HG3 LYS 48 HG3 LYS 48 -4.870 31.626 7.001 392 HD2 LYS 48 HD2 LYS 48 -2.819 31.256 9.313 393 HD3 LYS 48 HD3 LYS 48 -4.641 30.984 9.285 394 HE2 LYS 48 HE2 LYS 48 -4.403 29.057 7.872 395 HE3 LYS 48 HE3 LYS 48 -2.656 29.488 7.547 396 HZ1 LYS 48 HZ1 LYS 48 -3.814 28.543 10.159 397 HZ2 LYS 48 HZ2 LYS 48 -2.264 28.875 9.938 398 HZ3 LYS 48 HZ3 LYS 48 -2.902 27.505 9.154 399 H GLN 49 H GLN 49 0.657 31.808 6.786 400 HA GLN 49 HA GLN 49 1.714 33.520 4.828 401 HB2 GLN 49 HB2 GLN 49 3.496 31.972 4.673 402 HB3 GLN 49 HB3 GLN 49 3.035 32.323 6.341 403 HG2 GLN 49 HG2 GLN 49 2.006 30.052 6.535 404 HG3 GLN 49 HG3 GLN 49 2.604 29.633 4.900 405 HE21 GLN 49 HE21 GLN 49 5.090 29.317 4.718 406 HE22 GLN 49 HE22 GLN 49 5.994 29.538 6.191 407 H LEU 50 H LEU 50 1.778 33.150 2.536 408 HA LEU 50 HA LEU 50 -0.062 31.178 1.432 409 HB2 LEU 50 HB2 LEU 50 1.075 33.603 0.064 410 HB3 LEU 50 HB3 LEU 50 -0.258 32.501 -0.438 411 HG LEU 50 HG LEU 50 -0.391 34.662 1.800 412 HD11 LEU 50 HD11 LEU 50 -2.334 35.333 0.268 413 HD12 LEU 50 HD12 LEU 50 -1.744 34.100 -0.912 414 HD13 LEU 50 HD13 LEU 50 -0.697 35.442 -0.456 415 HD21 LEU 50 HD21 LEU 50 -2.102 32.257 1.136 416 HD22 LEU 50 HD22 LEU 50 -2.744 33.729 1.961 417 HD23 LEU 50 HD23 LEU 50 -1.531 32.769 2.762 418 H GLU 51 H GLU 51 0.435 30.051 -0.535 419 HA GLU 51 HA GLU 51 3.227 29.327 -0.628 420 HB2 GLU 51 HB2 GLU 51 0.793 27.784 -1.661 421 HB3 GLU 51 HB3 GLU 51 2.404 27.229 -1.746 422 HG2 GLU 51 HG2 GLU 51 2.722 27.445 0.778 423 HG3 GLU 51 HG3 GLU 51 1.130 27.998 0.990 424 H ASP 52 H ASP 52 4.516 29.100 -2.379 425 HA ASP 52 HA ASP 52 4.433 31.070 -4.241 426 HB2 ASP 52 HB2 ASP 52 6.104 28.511 -4.004 427 HB3 ASP 52 HB3 ASP 52 6.316 29.522 -5.341 428 H GLY 53 H GLY 53 3.436 27.674 -4.497 429 HA2 GLY 53 HA2 GLY 53 3.140 27.680 -7.385 430 HA3 GLY 53 HA3 GLY 53 2.642 26.442 -6.251 431 H ARG 54 H ARG 54 0.874 28.666 -4.955 432 HA ARG 54 HA ARG 54 -1.341 28.457 -6.647 433 HB2 ARG 54 HB2 ARG 54 -1.086 28.817 -3.705 434 HB3 ARG 54 HB3 ARG 54 -2.438 29.686 -4.488 435 HG2 ARG 54 HG2 ARG 54 -3.246 27.444 -3.772 436 HG3 ARG 54 HG3 ARG 54 -3.391 27.643 -5.528 437 HD2 ARG 54 HD2 ARG 54 -2.501 25.364 -5.230 438 HD3 ARG 54 HD3 ARG 54 -1.135 26.485 -5.668 439 HE ARG 54 HE ARG 54 -1.516 26.458 -2.807 440 HH11 ARG 54 HH11 ARG 54 0.185 24.902 -5.567 441 HH12 ARG 54 HH12 ARG 54 1.322 24.237 -4.549 442 HH21 ARG 54 HH21 ARG 54 0.178 25.444 -1.581 443 HH22 ARG 54 HH22 ARG 54 1.140 24.263 -2.373 444 H THR 55 H THR 55 -2.993 30.188 -6.677 445 HA THR 55 HA THR 55 -1.659 32.659 -7.755 446 HB THR 55 HB THR 55 -3.128 32.915 -9.429 447 HG1 THR 55 HG1 THR 55 -4.587 30.763 -8.414 448 HG21 THR 55 HG21 THR 55 -3.055 29.802 -9.541 449 HG22 THR 55 HG22 THR 55 -1.552 30.709 -9.747 450 HG23 THR 55 HG23 THR 55 -3.005 30.926 -10.812 451 H LEU 56 H LEU 56 -2.853 34.518 -7.779 452 HA LEU 56 HA LEU 56 -3.808 35.228 -5.401 453 HB2 LEU 56 HB2 LEU 56 -4.302 36.592 -8.069 454 HB3 LEU 56 HB3 LEU 56 -4.681 37.351 -6.568 455 HG LEU 56 HG LEU 56 -1.772 36.246 -7.060 456 HD11 LEU 56 HD11 LEU 56 -2.400 39.127 -7.845 457 HD12 LEU 56 HD12 LEU 56 -2.746 37.831 -9.034 458 HD13 LEU 56 HD13 LEU 56 -1.132 38.028 -8.357 459 HD21 LEU 56 HD21 LEU 56 -1.184 38.145 -5.531 460 HD22 LEU 56 HD22 LEU 56 -2.110 36.718 -4.932 461 HD23 LEU 56 HD23 LEU 56 -2.979 38.143 -5.247 462 H SER 57 H SER 57 -5.799 34.019 -8.321 463 HA SER 57 HA SER 57 -8.227 34.519 -7.052 464 HB2 SER 57 HB2 SER 57 -7.583 32.512 -9.251 465 HB3 SER 57 HB3 SER 57 -9.259 33.099 -8.930 466 HG SER 57 HG SER 57 -7.153 34.587 -9.856 467 H ASP 58 H ASP 58 -5.799 31.716 -6.578 468 HA ASP 58 HA ASP 58 -7.850 29.891 -5.603 469 HB2 ASP 58 HB2 ASP 58 -4.828 30.294 -5.176 470 HB3 ASP 58 HB3 ASP 58 -5.665 28.784 -4.756 471 H TYR 59 H TYR 59 -6.571 32.701 -4.142 472 HA TYR 59 HA TYR 59 -7.672 31.558 -1.625 473 HB2 TYR 59 HB2 TYR 59 -5.790 33.924 -2.121 474 HB3 TYR 59 HB3 TYR 59 -6.279 33.320 -0.492 475 HD1 TYR 59 HD1 TYR 59 -3.616 33.183 -2.860 476 HD2 TYR 59 HD2 TYR 59 -5.718 30.749 -0.018 477 HE1 TYR 59 HE1 TYR 59 -1.605 31.886 -2.500 478 HE2 TYR 59 HE2 TYR 59 -3.733 29.438 0.301 479 HH TYR 59 HH TYR 59 -1.682 28.853 -0.685 480 H ASN 60 H ASN 60 -8.887 33.070 -4.001 481 HA ASN 60 HA ASN 60 -10.144 34.750 -4.377 482 HB2 ASN 60 HB2 ASN 60 -11.148 34.386 -1.511 483 HB3 ASN 60 HB3 ASN 60 -11.962 35.401 -2.784 484 HD21 ASN 60 HD21 ASN 60 -12.112 34.178 -5.023 485 HD22 ASN 60 HD22 ASN 60 -12.910 32.649 -4.748 486 H ILE 61 H ILE 61 -7.816 36.033 -4.242 487 HA ILE 61 HA ILE 61 -8.082 38.319 -2.496 488 HB ILE 61 HB ILE 61 -5.851 37.549 -4.537 489 HG12 ILE 61 HG12 ILE 61 -5.950 37.752 -1.406 490 HG13 ILE 61 HG13 ILE 61 -6.086 36.203 -2.337 491 HG21 ILE 61 HG21 ILE 61 -6.012 39.792 -4.642 492 HG22 ILE 61 HG22 ILE 61 -4.609 39.500 -3.628 493 HG23 ILE 61 HG23 ILE 61 -6.037 40.082 -2.880 494 HD11 ILE 61 HD11 ILE 61 -3.889 36.369 -3.176 495 HD12 ILE 61 HD12 ILE 61 -3.904 36.646 -1.425 496 HD13 ILE 61 HD13 ILE 61 -3.533 38.007 -2.445 497 H GLN 62 H GLN 62 -9.321 39.982 -3.056 498 HA GLN 62 HA GLN 62 -9.779 40.706 -5.876 499 HB2 GLN 62 HB2 GLN 62 -10.904 42.102 -3.296 500 HB3 GLN 62 HB3 GLN 62 -11.467 42.320 -4.977 501 HG2 GLN 62 HG2 GLN 62 -11.867 39.868 -3.308 502 HG3 GLN 62 HG3 GLN 62 -13.103 40.983 -3.937 503 HE21 GLN 62 HE21 GLN 62 -13.484 40.785 -6.266 504 HE22 GLN 62 HE22 GLN 62 -13.251 39.293 -7.086 505 H LYS 63 H LYS 63 -9.682 43.078 -6.618 506 HA LYS 63 HA LYS 63 -7.109 44.024 -6.367 507 HB2 LYS 63 HB2 LYS 63 -7.644 45.871 -7.654 508 HB3 LYS 63 HB3 LYS 63 -8.681 44.583 -8.252 509 HG2 LYS 63 HG2 LYS 63 -9.703 46.838 -6.403 510 HG3 LYS 63 HG3 LYS 63 -9.866 46.835 -8.097 511 HD2 LYS 63 HD2 LYS 63 -11.393 44.898 -8.101 512 HD3 LYS 63 HD3 LYS 63 -11.099 44.532 -6.390 513 HE2 LYS 63 HE2 LYS 63 -13.252 45.523 -6.630 514 HE3 LYS 63 HE3 LYS 63 -12.177 46.650 -5.720 515 HZ1 LYS 63 HZ1 LYS 63 -11.974 47.988 -7.601 516 HZ2 LYS 63 HZ2 LYS 63 -13.647 47.577 -7.587 517 HZ3 LYS 63 HZ3 LYS 63 -12.578 46.824 -8.670 518 H GLU 64 H GLU 64 -6.212 45.375 -5.172 519 HA GLU 64 HA GLU 64 -5.524 46.996 -4.040 520 HB2 GLU 64 HB2 GLU 64 -8.418 47.703 -3.375 521 HB3 GLU 64 HB3 GLU 64 -6.942 48.458 -2.628 522 HG2 GLU 64 HG2 GLU 64 -6.202 49.236 -4.926 523 HG3 GLU 64 HG3 GLU 64 -7.536 48.201 -5.655 524 H SER 65 H SER 65 -6.457 43.999 -3.222 525 HA SER 65 HA SER 65 -6.518 44.242 -0.425 526 HB2 SER 65 HB2 SER 65 -5.497 41.847 -2.015 527 HB3 SER 65 HB3 SER 65 -5.915 41.842 -0.219 528 HG SER 65 HG SER 65 -7.605 41.778 -2.418 529 H THR 66 H THR 66 -5.089 44.104 1.157 530 HA THR 66 HA THR 66 -2.261 44.715 0.512 531 HB THR 66 HB THR 66 -3.652 45.011 3.186 532 HG1 THR 66 HG1 THR 66 -4.546 46.412 1.773 533 HG21 THR 66 HG21 THR 66 -1.470 46.572 3.384 534 HG22 THR 66 HG22 THR 66 -1.121 46.036 1.734 535 HG23 THR 66 HG23 THR 66 -1.031 44.846 3.033 536 H LEU 67 H LEU 67 -0.695 43.190 0.594 537 HA LEU 67 HA LEU 67 -0.990 40.708 2.234 538 HB2 LEU 67 HB2 LEU 67 0.873 41.313 -0.044 539 HB3 LEU 67 HB3 LEU 67 0.836 39.938 1.097 540 HG LEU 67 HG LEU 67 -1.123 39.061 0.570 541 HD11 LEU 67 HD11 LEU 67 -1.848 41.189 -1.399 542 HD12 LEU 67 HD12 LEU 67 -2.850 40.643 -0.005 543 HD13 LEU 67 HD13 LEU 67 -2.576 39.583 -1.421 544 HD21 LEU 67 HD21 LEU 67 0.591 39.500 -1.815 545 HD22 LEU 67 HD22 LEU 67 -0.710 38.202 -1.706 546 HD23 LEU 67 HD23 LEU 67 0.571 38.265 -0.504 547 H HIS 68 H HIS 68 1.092 40.241 3.476 548 HA HIS 68 HA HIS 68 2.790 42.681 4.198 549 HB2 HIS 68 HB2 HIS 68 1.457 40.781 6.014 550 HB3 HIS 68 HB3 HIS 68 2.978 41.638 6.338 551 HD1 HIS 68 HD1 HIS 68 -0.645 42.657 5.309 552 HD2 HIS 68 HD2 HIS 68 2.726 44.085 7.400 553 HE1 HIS 68 HE1 HIS 68 -1.342 44.805 6.573 554 H LEU 69 H LEU 69 5.072 42.159 4.358 555 HA LEU 69 HA LEU 69 5.801 39.395 3.565 556 HB2 LEU 69 HB2 LEU 69 6.162 41.271 1.794 557 HB3 LEU 69 HB3 LEU 69 7.066 42.088 3.011 558 HG LEU 69 HG LEU 69 8.787 40.444 2.890 559 HD11 LEU 69 HD11 LEU 69 8.802 38.429 1.467 560 HD12 LEU 69 HD12 LEU 69 7.257 38.955 0.753 561 HD13 LEU 69 HD13 LEU 69 7.256 38.528 2.407 562 HD21 LEU 69 HD21 LEU 69 9.585 40.847 0.408 563 HD22 LEU 69 HD22 LEU 69 8.974 42.342 1.095 564 HD23 LEU 69 HD23 LEU 69 7.920 41.417 0.073 565 H VAL 70 H VAL 70 7.264 38.400 4.752 566 HA VAL 70 HA VAL 70 8.677 39.967 6.792 567 HB VAL 70 HB VAL 70 7.684 36.998 7.130 568 HG11 VAL 70 HG11 VAL 70 9.638 37.403 8.501 569 HG12 VAL 70 HG12 VAL 70 8.235 37.602 9.495 570 HG13 VAL 70 HG13 VAL 70 9.150 39.056 8.875 571 HG21 VAL 70 HG21 VAL 70 5.724 38.537 6.988 572 HG22 VAL 70 HG22 VAL 70 6.595 39.591 8.224 573 HG23 VAL 70 HG23 VAL 70 5.998 37.933 8.585 574 H LEU 71 H LEU 71 10.798 39.968 6.262 575 HA LEU 71 HA LEU 71 11.725 38.145 4.207 576 HB2 LEU 71 HB2 LEU 71 11.993 40.626 3.783 577 HB3 LEU 71 HB3 LEU 71 12.733 40.698 5.387 578 HG LEU 71 HG LEU 71 14.712 39.848 4.751 579 HD11 LEU 71 HD11 LEU 71 15.474 38.979 2.595 580 HD12 LEU 71 HD12 LEU 71 13.718 38.902 2.046 581 HD13 LEU 71 HD13 LEU 71 14.311 37.886 3.408 582 HD21 LEU 71 HD21 LEU 71 15.570 41.436 3.030 583 HD22 LEU 71 HD22 LEU 71 14.257 42.087 4.017 584 HD23 LEU 71 HD23 LEU 71 13.869 41.559 2.396 585 H ARG 72 H ARG 72 13.292 36.489 4.712 586 HA ARG 72 HA ARG 72 14.119 36.468 7.559 587 HB2 ARG 72 HB2 ARG 72 13.897 34.276 5.571 588 HB3 ARG 72 HB3 ARG 72 14.398 34.010 7.210 589 HG2 ARG 72 HG2 ARG 72 11.736 34.878 6.115 590 HG3 ARG 72 HG3 ARG 72 12.259 33.332 6.861 591 HD2 ARG 72 HD2 ARG 72 12.355 34.468 9.124 592 HD3 ARG 72 HD3 ARG 72 11.919 36.064 8.404 593 HE ARG 72 HE ARG 72 9.700 35.173 8.341 594 HH11 ARG 72 HH11 ARG 72 11.988 32.492 8.730 595 HH12 ARG 72 HH12 ARG 72 10.748 31.383 9.054 596 HH21 ARG 72 HH21 ARG 72 8.089 33.572 8.990 597 HH22 ARG 72 HH22 ARG 72 8.709 31.962 9.222 598 H LEU 73 H LEU 73 16.074 36.024 8.318 599 HA LEU 73 HA LEU 73 18.116 36.856 6.607 600 HB2 LEU 73 HB2 LEU 73 18.407 35.739 9.499 601 HB3 LEU 73 HB3 LEU 73 19.665 36.501 8.585 602 HG LEU 73 HG LEU 73 17.041 37.928 9.496 603 HD11 LEU 73 HD11 LEU 73 18.790 37.930 11.355 604 HD12 LEU 73 HD12 LEU 73 18.821 39.458 10.562 605 HD13 LEU 73 HD13 LEU 73 20.059 38.210 10.183 606 HD21 LEU 73 HD21 LEU 73 19.131 38.928 7.665 607 HD22 LEU 73 HD22 LEU 73 18.106 39.970 8.706 608 HD23 LEU 73 HD23 LEU 73 17.298 38.982 7.508 609 H ARG 74 H ARG 74 19.932 35.963 5.860 610 HA ARG 74 HA ARG 74 19.594 33.217 5.006 611 HB2 ARG 74 HB2 ARG 74 20.852 34.726 3.634 612 HB3 ARG 74 HB3 ARG 74 22.146 34.764 4.821 613 HG2 ARG 74 HG2 ARG 74 22.732 33.295 2.933 614 HG3 ARG 74 HG3 ARG 74 22.549 32.266 4.350 615 HD2 ARG 74 HD2 ARG 74 21.738 31.138 2.583 616 HD3 ARG 74 HD3 ARG 74 20.174 31.656 3.355 617 HE ARG 74 HE ARG 74 21.096 33.718 1.610 618 HH11 ARG 74 HH11 ARG 74 19.512 30.568 1.365 619 HH12 ARG 74 HH12 ARG 74 18.552 31.149 0.055 620 HH21 ARG 74 HH21 ARG 74 19.928 34.261 0.029 621 HH22 ARG 74 HH22 ARG 74 18.438 33.413 -0.439 622 H GLY 75 H GLY 75 20.301 31.297 6.131 623 HA2 GLY 75 HA2 GLY 75 21.365 31.571 8.835 624 HA3 GLY 75 HA3 GLY 75 20.707 30.119 7.997 625 H GLY 76 H GLY 76 22.073 28.708 8.315 626 HA2 GLY 76 HA2 GLY 76 24.915 28.991 8.503 627 HA3 GLY 76 HA3 GLY 76 23.965 27.475 8.493 Start of MODEL 8 1 H MET 1 HT1 MET 1 -4.949 43.971 -12.624 2 HA MET 1 HA MET 1 -5.807 45.202 -11.313 3 HB2 MET 1 HB2 MET 1 -7.119 44.586 -9.468 4 HB3 MET 1 HB3 MET 1 -7.642 43.436 -10.538 5 HG2 MET 1 HG2 MET 1 -5.659 43.019 -8.235 6 HG3 MET 1 HG3 MET 1 -7.289 42.419 -8.369 7 HE1 MET 1 HE1 MET 1 -6.202 40.545 -7.286 8 HE2 MET 1 HE2 MET 1 -4.451 40.691 -7.421 9 HE3 MET 1 HE3 MET 1 -5.293 39.254 -8.174 10 H GLN 2 H GLN 2 -4.967 46.197 -9.246 11 HA GLN 2 HA GLN 2 -2.219 45.284 -8.676 12 HB2 GLN 2 HB2 GLN 2 -1.791 47.359 -7.822 13 HB3 GLN 2 HB3 GLN 2 -2.507 47.670 -9.411 14 HG2 GLN 2 HG2 GLN 2 -4.780 48.120 -8.026 15 HG3 GLN 2 HG3 GLN 2 -3.867 48.121 -6.578 16 HE21 GLN 2 HE21 GLN 2 -4.109 49.751 -9.862 17 HE22 GLN 2 HE22 GLN 2 -3.731 51.273 -9.256 18 H ILE 3 H ILE 3 -1.676 44.513 -6.728 19 HA ILE 3 HA ILE 3 -3.448 44.892 -4.456 20 HB ILE 3 HB ILE 3 -2.371 42.719 -3.426 21 HG12 ILE 3 HG12 ILE 3 -1.705 41.065 -5.427 22 HG13 ILE 3 HG13 ILE 3 -1.256 42.572 -6.270 23 HG21 ILE 3 HG21 ILE 3 -3.984 42.518 -6.081 24 HG22 ILE 3 HG22 ILE 3 -4.716 42.610 -4.437 25 HG23 ILE 3 HG23 ILE 3 -3.865 41.160 -4.875 26 HD11 ILE 3 HD11 ILE 3 0.464 41.192 -5.034 27 HD12 ILE 3 HD12 ILE 3 -0.256 41.771 -3.474 28 HD13 ILE 3 HD13 ILE 3 0.458 42.919 -4.757 29 H PHE 4 H PHE 4 -2.072 44.857 -2.334 30 HA PHE 4 HA PHE 4 0.326 46.344 -2.808 31 HB2 PHE 4 HB2 PHE 4 -1.318 46.786 -0.341 32 HB3 PHE 4 HB3 PHE 4 0.095 47.732 -0.937 33 HD1 PHE 4 HD1 PHE 4 -0.221 48.384 -3.618 34 HD2 PHE 4 HD2 PHE 4 -3.164 47.824 -0.650 35 HE1 PHE 4 HE1 PHE 4 -1.794 49.788 -4.913 36 HE2 PHE 4 HE2 PHE 4 -4.827 49.338 -1.886 37 HZ PHE 4 HZ PHE 4 -3.935 50.467 -3.989 38 H VAL 5 H VAL 5 2.314 45.913 -1.599 39 HA VAL 5 HA VAL 5 2.061 43.567 0.243 40 HB VAL 5 HB VAL 5 4.361 43.938 -1.691 41 HG11 VAL 5 HG11 VAL 5 5.010 43.052 0.607 42 HG12 VAL 5 HG12 VAL 5 5.192 41.821 -0.699 43 HG13 VAL 5 HG13 VAL 5 3.832 41.690 0.351 44 HG21 VAL 5 HG21 VAL 5 3.602 41.703 -2.520 45 HG22 VAL 5 HG22 VAL 5 2.582 43.055 -2.981 46 HG23 VAL 5 HG23 VAL 5 2.014 42.013 -1.673 47 H LYS 6 H LYS 6 2.339 44.268 2.281 48 HA LYS 6 HA LYS 6 3.870 46.768 2.636 49 HB2 LYS 6 HB2 LYS 6 1.680 46.270 3.793 50 HB3 LYS 6 HB3 LYS 6 2.473 44.753 4.433 51 HG2 LYS 6 HG2 LYS 6 2.336 46.229 6.097 52 HG3 LYS 6 HG3 LYS 6 4.047 46.206 5.728 53 HD2 LYS 6 HD2 LYS 6 3.910 48.259 4.555 54 HD3 LYS 6 HD3 LYS 6 2.174 48.528 4.795 55 HE2 LYS 6 HE2 LYS 6 4.366 48.498 6.966 56 HE3 LYS 6 HE3 LYS 6 3.284 49.895 6.377 57 HZ1 LYS 6 HZ1 LYS 6 2.337 49.265 8.385 58 HZ2 LYS 6 HZ2 LYS 6 2.560 47.625 8.123 59 HZ3 LYS 6 HZ3 LYS 6 1.369 48.433 7.218 60 H THR 7 H THR 7 5.991 46.773 3.186 61 HA THR 7 HA THR 7 7.519 44.232 3.469 62 HB THR 7 HB THR 7 9.301 45.170 3.010 63 HG1 THR 7 HG1 THR 7 10.005 47.014 3.232 64 HG21 THR 7 HG21 THR 7 9.047 46.788 0.991 65 HG22 THR 7 HG22 THR 7 7.533 47.231 1.573 66 HG23 THR 7 HG23 THR 7 7.862 45.505 1.030 67 H LEU 8 H LEU 8 9.334 44.000 4.979 68 HA LEU 8 HA LEU 8 8.410 44.156 7.621 69 HB2 LEU 8 HB2 LEU 8 9.488 42.252 6.720 70 HB3 LEU 8 HB3 LEU 8 10.908 43.234 6.267 71 HG LEU 8 HG LEU 8 11.342 43.738 8.678 72 HD11 LEU 8 HD11 LEU 8 9.075 41.725 8.976 73 HD12 LEU 8 HD12 LEU 8 9.241 43.366 9.773 74 HD13 LEU 8 HD13 LEU 8 10.153 41.990 10.291 75 HD21 LEU 8 HD21 LEU 8 12.490 41.980 7.312 76 HD22 LEU 8 HD22 LEU 8 11.440 40.745 8.066 77 HD23 LEU 8 HD23 LEU 8 12.662 41.660 8.973 78 H THR 9 H THR 9 10.794 46.065 5.861 79 HA THR 9 HA THR 9 11.724 47.659 7.887 80 HB THR 9 HB THR 9 11.313 48.686 5.010 81 HG1 THR 9 HG1 THR 9 13.341 47.100 5.588 82 HG21 THR 9 HG21 THR 9 12.584 50.109 6.725 83 HG22 THR 9 HG22 THR 9 13.582 49.499 5.361 84 HG23 THR 9 HG23 THR 9 13.640 48.717 7.047 85 H GLY 10 H GLY 10 8.754 47.899 5.991 86 HA2 GLY 10 HA2 GLY 10 6.905 48.913 7.018 87 HA3 GLY 10 HA3 GLY 10 7.866 50.382 7.426 88 H LYS 11 H LYS 11 8.634 49.136 4.344 89 HA LYS 11 HA LYS 11 7.412 51.404 3.187 90 HB2 LYS 11 HB2 LYS 11 8.704 49.148 1.783 91 HB3 LYS 11 HB3 LYS 11 8.235 50.677 1.051 92 HG2 LYS 11 HG2 LYS 11 9.767 51.969 2.481 93 HG3 LYS 11 HG3 LYS 11 10.323 50.414 3.286 94 HD2 LYS 11 HD2 LYS 11 10.634 49.688 0.735 95 HD3 LYS 11 HD3 LYS 11 10.560 51.475 0.423 96 HE2 LYS 11 HE2 LYS 11 12.568 51.709 1.943 97 HE3 LYS 11 HE3 LYS 11 12.672 49.934 2.016 98 HZ1 LYS 11 HZ1 LYS 11 13.358 49.969 -0.271 99 HZ2 LYS 11 HZ2 LYS 11 14.134 51.269 0.423 100 HZ3 LYS 11 HZ3 LYS 11 12.783 51.579 -0.506 101 H THR 12 H THR 12 5.851 51.230 1.354 102 HA THR 12 HA THR 12 4.209 48.680 1.477 103 HB THR 12 HB THR 12 2.993 51.440 0.837 104 HG1 THR 12 HG1 THR 12 3.354 50.928 2.941 105 HG21 THR 12 HG21 THR 12 1.906 48.588 0.564 106 HG22 THR 12 HG22 THR 12 2.234 49.842 -0.782 107 HG23 THR 12 HG23 THR 12 1.071 50.158 0.508 108 H ILE 13 H ILE 13 4.395 47.428 -0.513 109 HA ILE 13 HA ILE 13 5.286 48.984 -2.926 110 HB ILE 13 HB ILE 13 5.357 46.013 -2.262 111 HG12 ILE 13 HG12 ILE 13 6.932 46.971 -0.916 112 HG13 ILE 13 HG13 ILE 13 7.835 46.098 -2.134 113 HG21 ILE 13 HG21 ILE 13 5.064 46.255 -4.617 114 HG22 ILE 13 HG22 ILE 13 6.765 45.729 -4.288 115 HG23 ILE 13 HG23 ILE 13 6.417 47.433 -4.738 116 HD11 ILE 13 HD11 ILE 13 7.534 49.168 -1.915 117 HD12 ILE 13 HD12 ILE 13 7.970 48.517 -3.409 118 HD13 ILE 13 HD13 ILE 13 9.016 48.179 -1.969 119 H THR 14 H THR 14 4.164 49.163 -4.575 120 HA THR 14 HA THR 14 1.496 47.828 -4.813 121 HB THR 14 HB THR 14 2.343 50.306 -6.284 122 HG1 THR 14 HG1 THR 14 1.881 50.642 -3.928 123 HG21 THR 14 HG21 THR 14 0.602 48.842 -7.343 124 HG22 THR 14 HG22 THR 14 -0.245 50.305 -6.874 125 HG23 THR 14 HG23 THR 14 -0.327 48.837 -5.845 126 H LEU 15 H LEU 15 1.245 46.280 -6.491 127 HA LEU 15 HA LEU 15 3.028 46.640 -8.812 128 HB2 LEU 15 HB2 LEU 15 3.787 44.276 -8.698 129 HB3 LEU 15 HB3 LEU 15 4.457 45.190 -7.351 130 HG LEU 15 HG LEU 15 2.274 44.146 -6.121 131 HD11 LEU 15 HD11 LEU 15 1.568 42.786 -8.135 132 HD12 LEU 15 HD12 LEU 15 1.956 41.825 -6.716 133 HD13 LEU 15 HD13 LEU 15 3.151 41.964 -8.052 134 HD21 LEU 15 HD21 LEU 15 4.894 42.376 -6.284 135 HD22 LEU 15 HD22 LEU 15 3.691 42.673 -4.985 136 HD23 LEU 15 HD23 LEU 15 4.854 43.960 -5.552 137 H GLU 16 H GLU 16 2.301 45.167 -10.438 138 HA GLU 16 HA GLU 16 -0.596 45.187 -10.487 139 HB2 GLU 16 HB2 GLU 16 1.407 45.243 -12.756 140 HB3 GLU 16 HB3 GLU 16 -0.361 44.870 -12.998 141 HG2 GLU 16 HG2 GLU 16 -0.797 47.065 -11.876 142 HG3 GLU 16 HG3 GLU 16 0.939 47.455 -11.817 143 H VAL 17 H VAL 17 -1.820 43.159 -10.692 144 HA VAL 17 HA VAL 17 -0.363 40.920 -11.912 145 HB VAL 17 HB VAL 17 -1.263 39.234 -9.990 146 HG11 VAL 17 HG11 VAL 17 0.828 39.478 -8.826 147 HG12 VAL 17 HG12 VAL 17 0.916 41.158 -9.257 148 HG13 VAL 17 HG13 VAL 17 1.231 39.935 -10.479 149 HG21 VAL 17 HG21 VAL 17 -1.477 40.276 -7.890 150 HG22 VAL 17 HG22 VAL 17 -2.791 40.972 -8.864 151 HG23 VAL 17 HG23 VAL 17 -1.427 41.964 -8.533 152 H GLU 18 H GLU 18 -1.686 39.036 -12.268 153 HA GLU 18 HA GLU 18 -4.376 39.699 -13.158 154 HB2 GLU 18 HB2 GLU 18 -2.529 37.451 -13.901 155 HB3 GLU 18 HB3 GLU 18 -4.234 37.638 -14.464 156 HG2 GLU 18 HG2 GLU 18 -3.566 39.613 -15.744 157 HG3 GLU 18 HG3 GLU 18 -1.965 39.713 -15.054 158 HA PRO 19 HA PRO 19 -5.680 37.055 -9.916 159 HB2 PRO 19 HB2 PRO 19 -7.639 35.365 -11.491 160 HB3 PRO 19 HB3 PRO 19 -7.945 36.569 -10.113 161 HG2 PRO 19 HG2 PRO 19 -8.596 37.161 -12.916 162 HG3 PRO 19 HG3 PRO 19 -8.288 38.369 -11.778 163 HD2 PRO 19 HD2 PRO 19 -6.312 37.840 -13.806 164 HD3 PRO 19 HD3 PRO 19 -6.515 39.123 -12.566 165 H SER 20 H SER 20 -4.961 35.555 -12.878 166 HA SER 20 HA SER 20 -4.410 32.957 -11.829 167 HB2 SER 20 HB2 SER 20 -3.668 32.420 -14.114 168 HB3 SER 20 HB3 SER 20 -5.340 33.163 -14.017 169 HG SER 20 HG SER 20 -3.084 34.470 -15.050 170 H ASP 21 H ASP 21 -2.381 35.813 -11.786 171 HA ASP 21 HA ASP 21 0.019 34.516 -11.936 172 HB2 ASP 21 HB2 ASP 21 -0.772 37.059 -10.497 173 HB3 ASP 21 HB3 ASP 21 0.895 36.462 -10.767 174 H THR 22 H THR 22 1.431 34.114 -10.345 175 HA THR 22 HA THR 22 0.177 32.830 -8.003 176 HB THR 22 HB THR 22 2.101 31.458 -7.865 177 HG1 THR 22 HG1 THR 22 2.674 32.643 -10.244 178 HG21 THR 22 HG21 THR 22 0.193 30.545 -8.896 179 HG22 THR 22 HG22 THR 22 1.601 30.002 -9.863 180 HG23 THR 22 HG23 THR 22 0.536 31.196 -10.529 181 H ILE 23 H ILE 23 1.571 32.525 -6.148 182 HA ILE 23 HA ILE 23 1.913 35.170 -5.213 183 HB ILE 23 HB ILE 23 2.761 32.470 -4.102 184 HG12 ILE 23 HG12 ILE 23 0.430 32.250 -4.300 185 HG13 ILE 23 HG13 ILE 23 0.707 32.587 -2.616 186 HG21 ILE 23 HG21 ILE 23 2.618 33.500 -1.843 187 HG22 ILE 23 HG22 ILE 23 2.314 35.079 -2.634 188 HG23 ILE 23 HG23 ILE 23 3.912 34.273 -2.918 189 HD11 ILE 23 HD11 ILE 23 -1.119 34.155 -3.362 190 HD12 ILE 23 HD12 ILE 23 -0.509 34.340 -4.967 191 HD13 ILE 23 HD13 ILE 23 0.093 35.247 -3.624 192 H GLU 24 H GLU 24 4.158 32.542 -6.240 193 HA GLU 24 HA GLU 24 6.662 33.715 -6.176 194 HB2 GLU 24 HB2 GLU 24 5.568 32.242 -8.528 195 HB3 GLU 24 HB3 GLU 24 7.243 32.636 -8.331 196 HG2 GLU 24 HG2 GLU 24 7.278 31.371 -6.094 197 HG3 GLU 24 HG3 GLU 24 5.814 30.526 -6.682 198 H ASN 25 H ASN 25 4.038 34.764 -8.631 199 HA ASN 25 HA ASN 25 6.070 36.325 -9.909 200 HB2 ASN 25 HB2 ASN 25 2.952 36.668 -9.903 201 HB3 ASN 25 HB3 ASN 25 3.761 37.617 -11.034 202 HD21 ASN 25 HD21 ASN 25 5.015 36.275 -12.829 203 HD22 ASN 25 HD22 ASN 25 3.972 35.026 -13.427 204 H VAL 26 H VAL 26 3.946 36.795 -7.242 205 HA VAL 26 HA VAL 26 4.076 39.715 -6.959 206 HB VAL 26 HB VAL 26 3.456 37.733 -4.774 207 HG11 VAL 26 HG11 VAL 26 2.351 39.485 -3.697 208 HG12 VAL 26 HG12 VAL 26 2.723 40.621 -4.880 209 HG13 VAL 26 HG13 VAL 26 4.114 40.026 -3.952 210 HG21 VAL 26 HG21 VAL 26 1.688 37.559 -6.656 211 HG22 VAL 26 HG22 VAL 26 1.655 39.345 -6.722 212 HG23 VAL 26 HG23 VAL 26 1.048 38.439 -5.260 213 H LYS 27 H LYS 27 5.783 36.958 -5.415 214 HA LYS 27 HA LYS 27 7.708 38.464 -4.165 215 HB2 LYS 27 HB2 LYS 27 8.252 35.655 -5.491 216 HB3 LYS 27 HB3 LYS 27 9.221 36.387 -4.271 217 HG2 LYS 27 HG2 LYS 27 7.304 36.513 -2.629 218 HG3 LYS 27 HG3 LYS 27 6.399 35.389 -3.729 219 HD2 LYS 27 HD2 LYS 27 8.787 34.830 -1.947 220 HD3 LYS 27 HD3 LYS 27 7.177 34.134 -1.908 221 HE2 LYS 27 HE2 LYS 27 7.445 33.046 -4.143 222 HE3 LYS 27 HE3 LYS 27 9.132 33.738 -4.306 223 HZ1 LYS 27 HZ1 LYS 27 8.181 31.882 -2.234 224 HZ2 LYS 27 HZ2 LYS 27 9.746 32.572 -2.444 225 HZ3 LYS 27 HZ3 LYS 27 9.106 31.442 -3.524 226 H ALA 28 H ALA 28 7.927 37.255 -7.543 227 HA ALA 28 HA ALA 28 10.557 38.031 -8.052 228 HB1 ALA 28 HB1 ALA 28 9.930 37.759 -10.499 229 HB2 ALA 28 HB2 ALA 28 8.215 37.646 -9.888 230 HB3 ALA 28 HB3 ALA 28 9.393 36.421 -9.473 231 H LYS 29 H LYS 29 7.608 39.926 -8.497 232 HA LYS 29 HA LYS 29 8.727 42.133 -9.660 233 HB2 LYS 29 HB2 LYS 29 6.222 41.370 -8.223 234 HB3 LYS 29 HB3 LYS 29 6.627 43.120 -8.672 235 HG2 LYS 29 HG2 LYS 29 6.986 42.197 -11.034 236 HG3 LYS 29 HG3 LYS 29 6.323 40.661 -10.596 237 HD2 LYS 29 HD2 LYS 29 4.128 42.057 -9.901 238 HD3 LYS 29 HD3 LYS 29 4.804 43.184 -11.178 239 HE2 LYS 29 HE2 LYS 29 5.177 40.963 -12.553 240 HE3 LYS 29 HE3 LYS 29 4.056 40.245 -11.399 241 HZ1 LYS 29 HZ1 LYS 29 2.582 42.255 -11.904 242 HZ2 LYS 29 HZ2 LYS 29 2.756 41.002 -13.114 243 HZ3 LYS 29 HZ3 LYS 29 3.632 42.425 -13.200 244 H ILE 30 H ILE 30 8.312 41.501 -6.224 245 HA ILE 30 HA ILE 30 9.387 43.961 -5.249 246 HB ILE 30 HB ILE 30 9.127 41.263 -3.908 247 HG12 ILE 30 HG12 ILE 30 7.486 43.736 -3.827 248 HG13 ILE 30 HG13 ILE 30 7.152 42.382 -4.928 249 HG21 ILE 30 HG21 ILE 30 10.848 42.482 -2.568 250 HG22 ILE 30 HG22 ILE 30 9.291 42.494 -1.778 251 HG23 ILE 30 HG23 ILE 30 9.781 43.973 -2.569 252 HD11 ILE 30 HD11 ILE 30 6.869 40.731 -3.259 253 HD12 ILE 30 HD12 ILE 30 5.659 41.994 -3.116 254 HD13 ILE 30 HD13 ILE 30 7.133 41.957 -1.968 255 H GLN 31 H GLN 31 10.884 40.707 -6.041 256 HA GLN 31 HA GLN 31 13.436 41.138 -5.485 257 HB2 GLN 31 HB2 GLN 31 12.993 39.010 -6.066 258 HB3 GLN 31 HB3 GLN 31 12.040 39.501 -7.442 259 HG2 GLN 31 HG2 GLN 31 14.029 38.081 -7.948 260 HG3 GLN 31 HG3 GLN 31 13.743 39.531 -8.958 261 HE21 GLN 31 HE21 GLN 31 15.476 40.504 -9.449 262 HE22 GLN 31 HE22 GLN 31 17.039 40.330 -8.622 263 H ASP 32 H ASP 32 11.974 42.156 -8.547 264 HA ASP 32 HA ASP 32 14.289 43.236 -9.649 265 HB2 ASP 32 HB2 ASP 32 11.221 43.895 -9.803 266 HB3 ASP 32 HB3 ASP 32 12.381 44.848 -10.775 267 H LYS 33 H LYS 33 11.747 44.852 -7.887 268 HA LYS 33 HA LYS 33 12.590 47.528 -7.922 269 HB2 LYS 33 HB2 LYS 33 10.804 45.837 -6.171 270 HB3 LYS 33 HB3 LYS 33 10.948 47.567 -5.921 271 HG2 LYS 33 HG2 LYS 33 10.033 47.871 -8.326 272 HG3 LYS 33 HG3 LYS 33 9.992 46.045 -8.337 273 HD2 LYS 33 HD2 LYS 33 8.392 46.222 -6.338 274 HD3 LYS 33 HD3 LYS 33 8.447 47.904 -6.364 275 HE2 LYS 33 HE2 LYS 33 7.361 46.243 -8.659 276 HE3 LYS 33 HE3 LYS 33 6.381 46.894 -7.320 277 HZ1 LYS 33 HZ1 LYS 33 6.142 48.395 -9.079 278 HZ2 LYS 33 HZ2 LYS 33 7.860 48.452 -9.259 279 HZ3 LYS 33 HZ3 LYS 33 7.056 49.053 -7.858 280 H GLU 34 H GLU 34 13.156 45.041 -5.240 281 HA GLU 34 HA GLU 34 14.831 47.193 -4.072 282 HB2 GLU 34 HB2 GLU 34 13.278 44.859 -2.839 283 HB3 GLU 34 HB3 GLU 34 14.279 46.072 -1.878 284 HG2 GLU 34 HG2 GLU 34 11.771 46.867 -3.352 285 HG3 GLU 34 HG3 GLU 34 11.828 46.228 -1.711 286 H GLY 35 H GLY 35 15.198 44.321 -5.563 287 HA2 GLY 35 HA2 GLY 35 16.784 42.756 -5.779 288 HA3 GLY 35 HA3 GLY 35 17.791 43.790 -4.832 289 H ILE 36 H ILE 36 14.964 41.749 -4.015 290 HA ILE 36 HA ILE 36 16.489 40.773 -1.721 291 HB ILE 36 HB ILE 36 13.493 41.039 -1.736 292 HG12 ILE 36 HG12 ILE 36 15.392 42.926 -0.246 293 HG13 ILE 36 HG13 ILE 36 14.806 43.294 -1.822 294 HG21 ILE 36 HG21 ILE 36 14.732 39.280 -0.309 295 HG22 ILE 36 HG22 ILE 36 13.665 40.508 0.457 296 HG23 ILE 36 HG23 ILE 36 15.392 40.666 0.677 297 HD11 ILE 36 HD11 ILE 36 12.948 42.758 0.597 298 HD12 ILE 36 HD12 ILE 36 12.467 43.271 -0.957 299 HD13 ILE 36 HD13 ILE 36 13.522 44.361 0.068 300 HA PRO 37 HA PRO 37 15.943 37.334 -4.316 301 HB2 PRO 37 HB2 PRO 37 16.754 35.682 -1.931 302 HB3 PRO 37 HB3 PRO 37 17.254 35.427 -3.596 303 HG2 PRO 37 HG2 PRO 37 18.984 36.761 -1.900 304 HG3 PRO 37 HG3 PRO 37 18.734 37.524 -3.503 305 HD2 PRO 37 HD2 PRO 37 17.420 38.425 -0.985 306 HD3 PRO 37 HD3 PRO 37 17.904 39.434 -2.372 307 HA PRO 38 HA PRO 38 12.020 35.907 -3.196 308 HB2 PRO 38 HB2 PRO 38 11.638 33.794 -5.103 309 HB3 PRO 38 HB3 PRO 38 11.487 35.599 -5.413 310 HG2 PRO 38 HG2 PRO 38 13.965 33.803 -6.064 311 HG3 PRO 38 HG3 PRO 38 13.215 35.015 -7.083 312 HD2 PRO 38 HD2 PRO 38 15.292 35.651 -5.559 313 HD3 PRO 38 HD3 PRO 38 13.832 36.815 -5.605 314 H ASP 39 H ASP 39 14.401 33.294 -2.939 315 HA ASP 39 HA ASP 39 12.625 31.611 -1.604 316 HB2 ASP 39 HB2 ASP 39 14.831 30.281 -1.238 317 HB3 ASP 39 HB3 ASP 39 14.592 30.775 -2.874 318 H GLN 40 H GLN 40 14.520 34.472 -0.850 319 HA GLN 40 HA GLN 40 14.505 33.915 1.965 320 HB2 GLN 40 HB2 GLN 40 15.193 36.524 0.581 321 HB3 GLN 40 HB3 GLN 40 15.277 36.083 2.304 322 HG2 GLN 40 HG2 GLN 40 16.885 34.209 1.783 323 HG3 GLN 40 HG3 GLN 40 17.053 34.935 0.179 324 HE21 GLN 40 HE21 GLN 40 17.298 35.840 3.608 325 HE22 GLN 40 HE22 GLN 40 18.637 36.942 3.503 326 H GLN 41 H GLN 41 12.349 35.316 -0.385 327 HA GLN 41 HA GLN 41 10.772 36.740 1.618 328 HB2 GLN 41 HB2 GLN 41 10.394 36.495 -1.365 329 HB3 GLN 41 HB3 GLN 41 9.290 37.349 -0.277 330 HG2 GLN 41 HG2 GLN 41 11.283 39.118 -0.027 331 HG3 GLN 41 HG3 GLN 41 12.322 38.064 -0.941 332 HE21 GLN 41 HE21 GLN 41 12.446 38.828 -3.021 333 HE22 GLN 41 HE22 GLN 41 10.945 38.711 -3.941 334 H ARG 42 H ARG 42 8.708 36.420 2.338 335 HA ARG 42 HA ARG 42 7.211 34.287 1.140 336 HB2 ARG 42 HB2 ARG 42 6.530 33.185 3.376 337 HB3 ARG 42 HB3 ARG 42 8.129 32.788 2.694 338 HG2 ARG 42 HG2 ARG 42 9.105 34.616 4.181 339 HG3 ARG 42 HG3 ARG 42 7.565 34.826 4.880 340 HD2 ARG 42 HD2 ARG 42 8.919 33.496 6.492 341 HD3 ARG 42 HD3 ARG 42 7.676 32.459 5.789 342 HE ARG 42 HE ARG 42 9.603 31.933 3.919 343 HH11 ARG 42 HH11 ARG 42 10.273 32.333 7.456 344 HH12 ARG 42 HH12 ARG 42 11.363 31.002 7.323 345 HH21 ARG 42 HH21 ARG 42 11.031 30.220 4.131 346 HH22 ARG 42 HH22 ARG 42 11.746 29.871 5.672 347 H LEU 43 H LEU 43 4.975 34.565 1.320 348 HA LEU 43 HA LEU 43 4.291 37.112 2.481 349 HB2 LEU 43 HB2 LEU 43 3.525 35.854 -0.181 350 HB3 LEU 43 HB3 LEU 43 2.777 37.339 0.368 351 HG LEU 43 HG LEU 43 5.805 37.038 -0.192 352 HD11 LEU 43 HD11 LEU 43 5.390 38.218 -2.324 353 HD12 LEU 43 HD12 LEU 43 3.564 38.137 -1.901 354 HD13 LEU 43 HD13 LEU 43 4.512 36.711 -2.356 355 HD21 LEU 43 HD21 LEU 43 5.740 39.529 -0.439 356 HD22 LEU 43 HD22 LEU 43 5.319 38.984 1.235 357 HD23 LEU 43 HD23 LEU 43 4.069 39.588 0.138 358 H ILE 44 H ILE 44 2.424 37.706 2.912 359 HA ILE 44 HA ILE 44 0.790 35.640 4.218 360 HB ILE 44 HB ILE 44 1.921 38.110 5.702 361 HG12 ILE 44 HG12 ILE 44 2.722 35.824 7.162 362 HG13 ILE 44 HG13 ILE 44 3.052 35.429 5.431 363 HG21 ILE 44 HG21 ILE 44 -0.218 36.207 6.717 364 HG22 ILE 44 HG22 ILE 44 -0.086 38.018 6.594 365 HG23 ILE 44 HG23 ILE 44 0.911 37.155 7.809 366 HD11 ILE 44 HD11 ILE 44 4.460 37.428 5.201 367 HD12 ILE 44 HD12 ILE 44 4.923 36.512 6.684 368 HD13 ILE 44 HD13 ILE 44 3.965 38.040 6.864 369 H PHE 45 H PHE 45 -1.344 36.287 4.343 370 HA PHE 45 HA PHE 45 -2.110 39.093 3.813 371 HB2 PHE 45 HB2 PHE 45 -2.532 37.765 1.536 372 HB3 PHE 45 HB3 PHE 45 -3.652 36.723 2.468 373 HD1 PHE 45 HD1 PHE 45 -3.480 40.464 2.906 374 HD2 PHE 45 HD2 PHE 45 -5.464 37.097 1.211 375 HE1 PHE 45 HE1 PHE 45 -5.310 41.855 2.380 376 HE2 PHE 45 HE2 PHE 45 -7.391 38.587 0.555 377 HZ PHE 45 HZ PHE 45 -7.338 40.968 1.206 378 H ALA 46 H ALA 46 -3.033 39.685 5.616 379 HA ALA 46 HA ALA 46 -4.555 39.939 7.131 380 HB1 ALA 46 HB1 ALA 46 -5.722 39.958 5.189 381 HB2 ALA 46 HB2 ALA 46 -6.789 39.573 6.546 382 HB3 ALA 46 HB3 ALA 46 -6.286 38.271 5.387 383 H GLY 47 H GLY 47 -2.750 38.020 8.168 384 HA2 GLY 47 HA2 GLY 47 -2.937 36.906 10.303 385 HA3 GLY 47 HA3 GLY 47 -4.551 36.341 9.836 386 H LYS 48 H LYS 48 -2.837 35.632 6.941 387 HA LYS 48 HA LYS 48 -1.653 33.195 8.061 388 HB2 LYS 48 HB2 LYS 48 -3.020 31.671 6.757 389 HB3 LYS 48 HB3 LYS 48 -3.848 32.530 7.976 390 HG2 LYS 48 HG2 LYS 48 -5.273 32.423 6.236 391 HG3 LYS 48 HG3 LYS 48 -4.804 34.162 6.243 392 HD2 LYS 48 HD2 LYS 48 -4.864 33.630 4.052 393 HD3 LYS 48 HD3 LYS 48 -3.142 33.632 4.372 394 HE2 LYS 48 HE2 LYS 48 -3.758 31.704 2.902 395 HE3 LYS 48 HE3 LYS 48 -3.377 31.056 4.594 396 HZ1 LYS 48 HZ1 LYS 48 -5.141 29.911 3.585 397 HZ2 LYS 48 HZ2 LYS 48 -6.122 31.311 3.491 398 HZ3 LYS 48 HZ3 LYS 48 -5.608 30.686 4.995 399 H GLN 49 H GLN 49 -0.231 32.184 6.866 400 HA GLN 49 HA GLN 49 1.108 33.704 4.811 401 HB2 GLN 49 HB2 GLN 49 1.543 30.857 5.738 402 HB3 GLN 49 HB3 GLN 49 2.592 31.833 4.641 403 HG2 GLN 49 HG2 GLN 49 3.200 33.396 6.519 404 HG3 GLN 49 HG3 GLN 49 1.963 32.616 7.595 405 HE21 GLN 49 HE21 GLN 49 4.779 32.853 8.360 406 HE22 GLN 49 HE22 GLN 49 5.083 31.276 8.859 407 H LEU 50 H LEU 50 1.547 33.295 2.649 408 HA LEU 50 HA LEU 50 -0.351 31.419 1.408 409 HB2 LEU 50 HB2 LEU 50 1.053 33.877 0.325 410 HB3 LEU 50 HB3 LEU 50 -0.186 33.066 -0.558 411 HG LEU 50 HG LEU 50 -0.365 34.671 2.015 412 HD11 LEU 50 HD11 LEU 50 -1.088 36.362 0.637 413 HD12 LEU 50 HD12 LEU 50 -1.020 35.438 -0.922 414 HD13 LEU 50 HD13 LEU 50 0.515 35.950 -0.015 415 HD21 LEU 50 HD21 LEU 50 -2.613 33.524 0.221 416 HD22 LEU 50 HD22 LEU 50 -2.903 34.780 1.297 417 HD23 LEU 50 HD23 LEU 50 -2.237 33.202 1.890 418 H GLU 51 H GLU 51 0.336 29.920 -0.038 419 HA GLU 51 HA GLU 51 3.062 29.039 0.059 420 HB2 GLU 51 HB2 GLU 51 1.295 27.369 0.361 421 HB3 GLU 51 HB3 GLU 51 0.565 27.916 -1.122 422 HG2 GLU 51 HG2 GLU 51 2.362 26.937 -2.431 423 HG3 GLU 51 HG3 GLU 51 3.386 26.769 -0.949 424 H ASP 52 H ASP 52 4.555 28.959 -1.681 425 HA ASP 52 HA ASP 52 4.422 30.993 -3.366 426 HB2 ASP 52 HB2 ASP 52 5.924 28.247 -3.592 427 HB3 ASP 52 HB3 ASP 52 6.480 29.536 -4.576 428 H GLY 53 H GLY 53 3.453 27.631 -4.252 429 HA2 GLY 53 HA2 GLY 53 3.308 28.097 -7.007 430 HA3 GLY 53 HA3 GLY 53 2.819 26.563 -6.067 431 H ARG 54 H ARG 54 1.004 28.617 -4.649 432 HA ARG 54 HA ARG 54 -1.443 28.110 -6.124 433 HB2 ARG 54 HB2 ARG 54 -0.473 29.512 -3.689 434 HB3 ARG 54 HB3 ARG 54 -2.208 29.653 -4.030 435 HG2 ARG 54 HG2 ARG 54 -0.983 26.883 -3.447 436 HG3 ARG 54 HG3 ARG 54 -1.826 28.044 -2.397 437 HD2 ARG 54 HD2 ARG 54 -3.397 26.468 -2.984 438 HD3 ARG 54 HD3 ARG 54 -3.866 27.976 -3.893 439 HE ARG 54 HE ARG 54 -2.097 26.065 -5.320 440 HH11 ARG 54 HH11 ARG 54 -5.310 26.036 -3.972 441 HH12 ARG 54 HH12 ARG 54 -5.905 25.110 -5.342 442 HH21 ARG 54 HH21 ARG 54 -2.877 24.894 -6.846 443 HH22 ARG 54 HH22 ARG 54 -4.530 24.426 -6.899 444 H THR 55 H THR 55 -3.114 29.724 -6.863 445 HA THR 55 HA THR 55 -1.736 32.020 -8.030 446 HB THR 55 HB THR 55 -3.769 32.338 -9.376 447 HG1 THR 55 HG1 THR 55 -4.638 29.788 -8.548 448 HG21 THR 55 HG21 THR 55 -1.946 31.290 -10.571 449 HG22 THR 55 HG22 THR 55 -3.516 30.576 -10.961 450 HG23 THR 55 HG23 THR 55 -2.317 29.685 -9.887 451 H LEU 56 H LEU 56 -2.929 34.045 -7.985 452 HA LEU 56 HA LEU 56 -4.064 34.587 -5.522 453 HB2 LEU 56 HB2 LEU 56 -4.242 36.158 -8.102 454 HB3 LEU 56 HB3 LEU 56 -4.791 36.831 -6.576 455 HG LEU 56 HG LEU 56 -1.892 35.811 -7.005 456 HD11 LEU 56 HD11 LEU 56 -1.269 38.283 -7.406 457 HD12 LEU 56 HD12 LEU 56 -2.891 38.312 -8.223 458 HD13 LEU 56 HD13 LEU 56 -1.708 37.148 -8.690 459 HD21 LEU 56 HD21 LEU 56 -2.874 37.961 -5.116 460 HD22 LEU 56 HD22 LEU 56 -1.238 37.396 -5.165 461 HD23 LEU 56 HD23 LEU 56 -2.580 36.353 -4.583 462 H SER 57 H SER 57 -5.671 33.568 -8.388 463 HA SER 57 HA SER 57 -8.282 33.964 -7.354 464 HB2 SER 57 HB2 SER 57 -7.815 33.798 -9.813 465 HB3 SER 57 HB3 SER 57 -7.280 32.139 -9.538 466 HG SER 57 HG SER 57 -9.826 33.255 -9.670 467 H ASP 58 H ASP 58 -6.088 31.159 -7.224 468 HA ASP 58 HA ASP 58 -7.905 29.422 -5.889 469 HB2 ASP 58 HB2 ASP 58 -4.789 29.471 -5.557 470 HB3 ASP 58 HB3 ASP 58 -5.835 28.284 -4.916 471 H TYR 59 H TYR 59 -5.766 31.908 -4.412 472 HA TYR 59 HA TYR 59 -6.928 31.497 -1.799 473 HB2 TYR 59 HB2 TYR 59 -5.117 33.651 -2.955 474 HB3 TYR 59 HB3 TYR 59 -5.850 33.827 -1.365 475 HD1 TYR 59 HD1 TYR 59 -2.990 32.956 -2.792 476 HD2 TYR 59 HD2 TYR 59 -5.675 31.466 0.062 477 HE1 TYR 59 HE1 TYR 59 -1.212 31.417 -1.999 478 HE2 TYR 59 HE2 TYR 59 -3.800 29.870 0.899 479 HH TYR 59 HH TYR 59 -1.853 28.744 0.030 480 H ASN 60 H ASN 60 -8.105 33.229 -4.625 481 HA ASN 60 HA ASN 60 -9.729 34.616 -5.007 482 HB2 ASN 60 HB2 ASN 60 -11.071 34.011 -2.290 483 HB3 ASN 60 HB3 ASN 60 -11.809 34.905 -3.558 484 HD21 ASN 60 HD21 ASN 60 -12.177 33.847 -5.749 485 HD22 ASN 60 HD22 ASN 60 -12.104 32.156 -5.950 486 H ILE 61 H ILE 61 -7.435 35.903 -4.417 487 HA ILE 61 HA ILE 61 -7.981 37.783 -2.379 488 HB ILE 61 HB ILE 61 -5.650 37.730 -4.151 489 HG12 ILE 61 HG12 ILE 61 -6.266 36.605 -1.317 490 HG13 ILE 61 HG13 ILE 61 -6.012 35.640 -2.870 491 HG21 ILE 61 HG21 ILE 61 -6.077 40.041 -3.063 492 HG22 ILE 61 HG22 ILE 61 -4.675 39.206 -2.436 493 HG23 ILE 61 HG23 ILE 61 -6.253 39.238 -1.535 494 HD11 ILE 61 HD11 ILE 61 -3.843 37.416 -1.442 495 HD12 ILE 61 HD12 ILE 61 -3.616 36.490 -2.878 496 HD13 ILE 61 HD13 ILE 61 -3.945 35.564 -1.408 497 H GLN 62 H GLN 62 -9.106 39.427 -2.716 498 HA GLN 62 HA GLN 62 -10.080 40.428 -5.235 499 HB2 GLN 62 HB2 GLN 62 -10.253 41.736 -2.448 500 HB3 GLN 62 HB3 GLN 62 -11.287 42.121 -3.958 501 HG2 GLN 62 HG2 GLN 62 -11.493 39.651 -2.142 502 HG3 GLN 62 HG3 GLN 62 -12.783 40.775 -2.620 503 HE21 GLN 62 HE21 GLN 62 -11.544 37.806 -3.150 504 HE22 GLN 62 HE22 GLN 62 -12.190 37.448 -4.690 505 H LYS 63 H LYS 63 -9.836 42.436 -6.320 506 HA LYS 63 HA LYS 63 -7.331 43.565 -6.400 507 HB2 LYS 63 HB2 LYS 63 -8.125 45.520 -7.458 508 HB3 LYS 63 HB3 LYS 63 -8.932 44.065 -8.071 509 HG2 LYS 63 HG2 LYS 63 -10.983 44.717 -7.241 510 HG3 LYS 63 HG3 LYS 63 -10.345 45.754 -5.897 511 HD2 LYS 63 HD2 LYS 63 -9.501 47.447 -7.434 512 HD3 LYS 63 HD3 LYS 63 -10.123 46.580 -8.810 513 HE2 LYS 63 HE2 LYS 63 -11.776 48.060 -8.575 514 HE3 LYS 63 HE3 LYS 63 -12.421 46.608 -7.832 515 HZ1 LYS 63 HZ1 LYS 63 -12.590 48.988 -6.697 516 HZ2 LYS 63 HZ2 LYS 63 -11.078 48.535 -6.057 517 HZ3 LYS 63 HZ3 LYS 63 -12.454 47.571 -5.819 518 H GLU 64 H GLU 64 -6.395 45.739 -5.879 519 HA GLU 64 HA GLU 64 -5.560 46.971 -4.372 520 HB2 GLU 64 HB2 GLU 64 -8.460 47.634 -3.789 521 HB3 GLU 64 HB3 GLU 64 -7.071 48.697 -3.443 522 HG2 GLU 64 HG2 GLU 64 -6.739 49.076 -5.915 523 HG3 GLU 64 HG3 GLU 64 -7.777 47.631 -6.230 524 H SER 65 H SER 65 -5.316 44.356 -3.205 525 HA SER 65 HA SER 65 -6.412 44.735 -0.517 526 HB2 SER 65 HB2 SER 65 -5.481 42.372 -2.127 527 HB3 SER 65 HB3 SER 65 -5.889 42.110 -0.391 528 HG SER 65 HG SER 65 -7.454 42.155 -2.557 529 H THR 66 H THR 66 -4.919 44.618 1.327 530 HA THR 66 HA THR 66 -2.332 44.880 0.553 531 HB THR 66 HB THR 66 -3.480 45.383 3.265 532 HG1 THR 66 HG1 THR 66 -4.092 46.827 1.877 533 HG21 THR 66 HG21 THR 66 -1.089 44.919 3.775 534 HG22 THR 66 HG22 THR 66 -1.018 46.681 3.556 535 HG23 THR 66 HG23 THR 66 -0.557 45.585 2.241 536 H LEU 67 H LEU 67 -0.943 42.953 0.431 537 HA LEU 67 HA LEU 67 -1.049 40.861 2.349 538 HB2 LEU 67 HB2 LEU 67 0.284 41.511 -0.324 539 HB3 LEU 67 HB3 LEU 67 1.024 40.266 0.536 540 HG LEU 67 HG LEU 67 -1.427 39.222 0.541 541 HD11 LEU 67 HD11 LEU 67 -1.645 41.470 -1.467 542 HD12 LEU 67 HD12 LEU 67 -2.811 41.072 -0.203 543 HD13 LEU 67 HD13 LEU 67 -2.650 39.994 -1.639 544 HD21 LEU 67 HD21 LEU 67 0.527 38.348 -0.726 545 HD22 LEU 67 HD22 LEU 67 -0.139 39.147 -2.233 546 HD23 LEU 67 HD23 LEU 67 -1.110 37.991 -1.284 547 H HIS 68 H HIS 68 1.131 40.181 3.247 548 HA HIS 68 HA HIS 68 2.916 42.346 3.832 549 HB2 HIS 68 HB2 HIS 68 1.431 40.471 5.541 550 HB3 HIS 68 HB3 HIS 68 3.167 40.662 5.966 551 HD1 HIS 68 HD1 HIS 68 0.097 42.824 5.168 552 HD2 HIS 68 HD2 HIS 68 3.143 42.705 8.020 553 HE1 HIS 68 HE1 HIS 68 -0.283 44.682 6.822 554 H LEU 69 H LEU 69 4.965 41.828 4.430 555 HA LEU 69 HA LEU 69 6.194 39.437 3.160 556 HB2 LEU 69 HB2 LEU 69 6.576 41.288 1.682 557 HB3 LEU 69 HB3 LEU 69 7.204 42.308 2.943 558 HG LEU 69 HG LEU 69 8.944 40.280 3.158 559 HD11 LEU 69 HD11 LEU 69 9.415 39.165 1.073 560 HD12 LEU 69 HD12 LEU 69 8.156 40.183 0.286 561 HD13 LEU 69 HD13 LEU 69 7.666 39.005 1.489 562 HD21 LEU 69 HD21 LEU 69 9.930 42.476 2.688 563 HD22 LEU 69 HD22 LEU 69 9.024 42.616 1.210 564 HD23 LEU 69 HD23 LEU 69 10.424 41.556 1.209 565 H VAL 70 H VAL 70 7.518 38.300 4.484 566 HA VAL 70 HA VAL 70 9.001 39.773 6.524 567 HB VAL 70 HB VAL 70 6.947 38.587 7.630 568 HG11 VAL 70 HG11 VAL 70 8.865 36.188 7.228 569 HG12 VAL 70 HG12 VAL 70 7.162 36.286 6.664 570 HG13 VAL 70 HG13 VAL 70 7.513 36.321 8.386 571 HG21 VAL 70 HG21 VAL 70 8.212 38.265 9.608 572 HG22 VAL 70 HG22 VAL 70 8.755 39.679 8.790 573 HG23 VAL 70 HG23 VAL 70 9.791 38.201 8.744 574 H LEU 71 H LEU 71 11.056 38.609 6.983 575 HA LEU 71 HA LEU 71 11.888 37.284 4.486 576 HB2 LEU 71 HB2 LEU 71 13.086 39.530 6.034 577 HB3 LEU 71 HB3 LEU 71 13.968 38.616 4.767 578 HG LEU 71 HG LEU 71 11.466 40.323 4.315 579 HD11 LEU 71 HD11 LEU 71 13.169 41.805 3.219 580 HD12 LEU 71 HD12 LEU 71 14.457 40.680 3.707 581 HD13 LEU 71 HD13 LEU 71 13.536 41.558 4.915 582 HD21 LEU 71 HD21 LEU 71 11.603 38.347 2.704 583 HD22 LEU 71 HD22 LEU 71 13.310 38.783 2.339 584 HD23 LEU 71 HD23 LEU 71 11.950 39.848 1.878 585 H ARG 72 H ARG 72 13.177 35.400 4.686 586 HA ARG 72 HA ARG 72 14.376 34.761 7.329 587 HB2 ARG 72 HB2 ARG 72 13.289 32.889 5.885 588 HB3 ARG 72 HB3 ARG 72 14.585 33.182 4.761 589 HG2 ARG 72 HG2 ARG 72 15.295 31.280 5.927 590 HG3 ARG 72 HG3 ARG 72 16.264 32.661 6.420 591 HD2 ARG 72 HD2 ARG 72 14.954 32.769 8.568 592 HD3 ARG 72 HD3 ARG 72 13.850 31.528 7.967 593 HE ARG 72 HE ARG 72 16.692 30.678 8.195 594 HH11 ARG 72 HH11 ARG 72 13.769 31.489 10.322 595 HH12 ARG 72 HH12 ARG 72 14.538 30.537 11.547 596 HH21 ARG 72 HH21 ARG 72 17.059 29.208 9.902 597 HH22 ARG 72 HH22 ARG 72 16.041 29.038 11.267 598 H LEU 73 H LEU 73 16.163 35.754 7.819 599 HA LEU 73 HA LEU 73 17.850 36.752 5.800 600 HB2 LEU 73 HB2 LEU 73 18.548 36.602 8.793 601 HB3 LEU 73 HB3 LEU 73 19.291 37.664 7.517 602 HG LEU 73 HG LEU 73 16.383 37.846 8.338 603 HD11 LEU 73 HD11 LEU 73 18.427 40.037 8.893 604 HD12 LEU 73 HD12 LEU 73 18.195 38.690 10.052 605 HD13 LEU 73 HD13 LEU 73 16.821 39.710 9.575 606 HD21 LEU 73 HD21 LEU 73 17.881 39.629 6.415 607 HD22 LEU 73 HD22 LEU 73 16.118 39.774 6.999 608 HD23 LEU 73 HD23 LEU 73 16.647 38.399 6.022 609 H ARG 74 H ARG 74 20.153 36.255 5.287 610 HA ARG 74 HA ARG 74 20.601 33.454 5.022 611 HB2 ARG 74 HB2 ARG 74 22.617 35.677 4.473 612 HB3 ARG 74 HB3 ARG 74 22.859 33.922 4.186 613 HG2 ARG 74 HG2 ARG 74 20.729 35.683 2.802 614 HG3 ARG 74 HG3 ARG 74 22.295 35.157 2.160 615 HD2 ARG 74 HD2 ARG 74 21.276 32.792 2.358 616 HD3 ARG 74 HD3 ARG 74 19.799 33.602 3.048 617 HE ARG 74 HE ARG 74 20.485 34.537 0.371 618 HH11 ARG 74 HH11 ARG 74 18.198 32.512 1.972 619 HH12 ARG 74 HH12 ARG 74 17.779 31.706 0.489 620 HH21 ARG 74 HH21 ARG 74 19.607 33.875 -1.484 621 HH22 ARG 74 HH22 ARG 74 18.307 32.704 -1.288 622 H GLY 75 H GLY 75 22.169 31.870 6.030 623 HA2 GLY 75 HA2 GLY 75 23.937 31.533 7.311 624 HA3 GLY 75 HA3 GLY 75 23.583 33.091 8.225 625 H GLY 76 H GLY 76 20.763 31.323 7.918 626 HA2 GLY 76 HA2 GLY 76 21.010 29.245 9.833 627 HA3 GLY 76 HA3 GLY 76 20.450 30.688 10.639 Start of MODEL 9 1 H MET 1 HT1 MET 1 -5.639 43.399 -12.900 2 HA MET 1 HA MET 1 -5.972 45.410 -11.533 3 HB2 MET 1 HB2 MET 1 -7.168 43.933 -10.164 4 HB3 MET 1 HB3 MET 1 -6.665 42.834 -11.372 5 HG2 MET 1 HG2 MET 1 -4.635 42.240 -9.724 6 HG3 MET 1 HG3 MET 1 -5.476 43.181 -8.509 7 HE1 MET 1 HE1 MET 1 -5.748 39.098 -7.859 8 HE2 MET 1 HE2 MET 1 -4.651 40.449 -7.650 9 HE3 MET 1 HE3 MET 1 -4.605 39.587 -9.202 10 H GLN 2 H GLN 2 -5.117 46.873 -9.735 11 HA GLN 2 HA GLN 2 -2.324 46.482 -8.928 12 HB2 GLN 2 HB2 GLN 2 -2.478 48.368 -7.804 13 HB3 GLN 2 HB3 GLN 2 -3.488 48.577 -9.324 14 HG2 GLN 2 HG2 GLN 2 -5.488 48.690 -7.946 15 HG3 GLN 2 HG3 GLN 2 -4.383 48.449 -6.458 16 HE21 GLN 2 HE21 GLN 2 -5.915 51.083 -6.623 17 HE22 GLN 2 HE22 GLN 2 -4.599 52.157 -6.719 18 H ILE 3 H ILE 3 -1.605 45.515 -7.082 19 HA ILE 3 HA ILE 3 -3.528 45.277 -4.854 20 HB ILE 3 HB ILE 3 -2.622 43.100 -4.075 21 HG12 ILE 3 HG12 ILE 3 -0.856 43.038 -6.625 22 HG13 ILE 3 HG13 ILE 3 -0.340 43.535 -4.946 23 HG21 ILE 3 HG21 ILE 3 -4.537 43.168 -5.864 24 HG22 ILE 3 HG22 ILE 3 -3.653 41.653 -5.641 25 HG23 ILE 3 HG23 ILE 3 -3.241 42.781 -7.049 26 HD11 ILE 3 HD11 ILE 3 -1.377 40.714 -5.577 27 HD12 ILE 3 HD12 ILE 3 -0.779 41.483 -4.017 28 HD13 ILE 3 HD13 ILE 3 0.341 41.273 -5.410 29 H PHE 4 H PHE 4 -2.236 45.013 -2.754 30 HA PHE 4 HA PHE 4 0.137 46.773 -2.939 31 HB2 PHE 4 HB2 PHE 4 -1.811 46.573 -0.608 32 HB3 PHE 4 HB3 PHE 4 -0.508 47.746 -0.772 33 HD1 PHE 4 HD1 PHE 4 -1.087 48.995 -3.236 34 HD2 PHE 4 HD2 PHE 4 -3.821 47.526 -0.395 35 HE1 PHE 4 HE1 PHE 4 -2.699 50.808 -3.979 36 HE2 PHE 4 HE2 PHE 4 -5.574 49.114 -1.331 37 HZ PHE 4 HZ PHE 4 -4.943 50.781 -3.026 38 H VAL 5 H VAL 5 2.009 46.255 -1.779 39 HA VAL 5 HA VAL 5 1.599 44.054 0.091 40 HB VAL 5 HB VAL 5 4.013 44.432 -1.709 41 HG11 VAL 5 HG11 VAL 5 4.708 43.490 0.460 42 HG12 VAL 5 HG12 VAL 5 4.923 42.296 -0.901 43 HG13 VAL 5 HG13 VAL 5 3.524 42.098 0.154 44 HG21 VAL 5 HG21 VAL 5 1.905 43.522 -2.920 45 HG22 VAL 5 HG22 VAL 5 2.249 41.996 -2.035 46 HG23 VAL 5 HG23 VAL 5 3.482 42.712 -3.121 47 H LYS 6 H LYS 6 2.201 44.706 2.071 48 HA LYS 6 HA LYS 6 3.781 46.994 2.634 49 HB2 LYS 6 HB2 LYS 6 2.354 44.713 4.212 50 HB3 LYS 6 HB3 LYS 6 3.388 45.827 5.027 51 HG2 LYS 6 HG2 LYS 6 0.987 46.741 3.491 52 HG3 LYS 6 HG3 LYS 6 1.027 46.183 5.217 53 HD2 LYS 6 HD2 LYS 6 2.678 48.014 5.726 54 HD3 LYS 6 HD3 LYS 6 2.709 48.419 3.986 55 HE2 LYS 6 HE2 LYS 6 0.109 48.924 4.278 56 HE3 LYS 6 HE3 LYS 6 0.386 48.946 6.005 57 HZ1 LYS 6 HZ1 LYS 6 1.788 50.712 4.060 58 HZ2 LYS 6 HZ2 LYS 6 2.041 50.709 5.739 59 HZ3 LYS 6 HZ3 LYS 6 0.504 51.077 5.064 60 H THR 7 H THR 7 5.922 47.223 2.909 61 HA THR 7 HA THR 7 7.620 44.829 2.944 62 HB THR 7 HB THR 7 9.597 46.153 2.445 63 HG1 THR 7 HG1 THR 7 9.705 48.100 2.896 64 HG21 THR 7 HG21 THR 7 7.389 47.640 1.055 65 HG22 THR 7 HG22 THR 7 7.610 45.890 0.668 66 HG23 THR 7 HG23 THR 7 8.887 47.170 0.291 67 H LEU 8 H LEU 8 9.867 45.525 4.486 68 HA LEU 8 HA LEU 8 8.748 46.153 7.173 69 HB2 LEU 8 HB2 LEU 8 10.909 44.090 6.422 70 HB3 LEU 8 HB3 LEU 8 10.762 44.723 8.118 71 HG LEU 8 HG LEU 8 8.666 43.022 6.827 72 HD11 LEU 8 HD11 LEU 8 9.295 41.381 8.347 73 HD12 LEU 8 HD12 LEU 8 10.518 42.424 9.150 74 HD13 LEU 8 HD13 LEU 8 10.703 41.868 7.416 75 HD21 LEU 8 HD21 LEU 8 7.633 43.047 9.161 76 HD22 LEU 8 HD22 LEU 8 7.583 44.658 8.455 77 HD23 LEU 8 HD23 LEU 8 8.745 44.289 9.668 78 H THR 9 H THR 9 9.964 47.901 5.103 79 HA THR 9 HA THR 9 11.825 49.393 6.927 80 HB THR 9 HB THR 9 12.473 50.550 4.642 81 HG1 THR 9 HG1 THR 9 12.036 49.236 2.930 82 HG21 THR 9 HG21 THR 9 14.148 49.081 5.474 83 HG22 THR 9 HG22 THR 9 13.744 48.545 3.772 84 HG23 THR 9 HG23 THR 9 13.171 47.657 5.264 85 H GLY 10 H GLY 10 8.611 49.263 6.253 86 HA2 GLY 10 HA2 GLY 10 7.130 50.822 6.832 87 HA3 GLY 10 HA3 GLY 10 8.358 52.100 6.759 88 H LYS 11 H LYS 11 7.752 50.015 4.119 89 HA LYS 11 HA LYS 11 6.382 52.064 2.493 90 HB2 LYS 11 HB2 LYS 11 8.304 49.911 1.551 91 HB3 LYS 11 HB3 LYS 11 7.400 51.040 0.511 92 HG2 LYS 11 HG2 LYS 11 8.759 52.970 1.439 93 HG3 LYS 11 HG3 LYS 11 9.635 51.832 2.571 94 HD2 LYS 11 HD2 LYS 11 10.951 52.518 0.636 95 HD3 LYS 11 HD3 LYS 11 10.653 50.837 0.754 96 HE2 LYS 11 HE2 LYS 11 9.180 50.813 -1.092 97 HE3 LYS 11 HE3 LYS 11 8.848 52.618 -0.992 98 HZ1 LYS 11 HZ1 LYS 11 10.288 52.160 -2.755 99 HZ2 LYS 11 HZ2 LYS 11 11.142 51.042 -1.848 100 HZ3 LYS 11 HZ3 LYS 11 11.297 52.793 -1.612 101 H THR 12 H THR 12 4.558 51.635 1.252 102 HA THR 12 HA THR 12 3.620 48.883 1.184 103 HB THR 12 HB THR 12 1.871 51.131 0.253 104 HG1 THR 12 HG1 THR 12 2.137 51.532 2.423 105 HG21 THR 12 HG21 THR 12 1.565 48.758 -0.557 106 HG22 THR 12 HG22 THR 12 0.270 49.470 0.471 107 HG23 THR 12 HG23 THR 12 1.397 48.245 1.161 108 H ILE 13 H ILE 13 4.243 47.784 -0.801 109 HA ILE 13 HA ILE 13 5.084 49.501 -3.050 110 HB ILE 13 HB ILE 13 4.928 46.465 -2.878 111 HG12 ILE 13 HG12 ILE 13 6.393 47.054 -1.057 112 HG13 ILE 13 HG13 ILE 13 7.415 46.522 -2.362 113 HG21 ILE 13 HG21 ILE 13 6.072 46.421 -4.910 114 HG22 ILE 13 HG22 ILE 13 6.722 48.109 -4.706 115 HG23 ILE 13 HG23 ILE 13 5.007 47.803 -5.082 116 HD11 ILE 13 HD11 ILE 13 8.200 48.646 -1.190 117 HD12 ILE 13 HD12 ILE 13 6.847 49.516 -1.813 118 HD13 ILE 13 HD13 ILE 13 8.030 48.907 -2.973 119 H THR 14 H THR 14 3.520 49.788 -5.014 120 HA THR 14 HA THR 14 1.001 48.056 -4.802 121 HB THR 14 HB THR 14 1.327 50.548 -6.556 122 HG1 THR 14 HG1 THR 14 1.147 51.458 -4.598 123 HG21 THR 14 HG21 THR 14 -0.825 48.802 -5.528 124 HG22 THR 14 HG22 THR 14 -0.397 48.970 -7.304 125 HG23 THR 14 HG23 THR 14 -1.107 50.346 -6.444 126 H LEU 15 H LEU 15 1.027 46.345 -6.071 127 HA LEU 15 HA LEU 15 2.633 46.532 -8.549 128 HB2 LEU 15 HB2 LEU 15 1.794 43.968 -7.080 129 HB3 LEU 15 HB3 LEU 15 3.016 44.064 -8.403 130 HG LEU 15 HG LEU 15 3.566 45.409 -5.654 131 HD11 LEU 15 HD11 LEU 15 3.148 43.008 -5.404 132 HD12 LEU 15 HD12 LEU 15 4.854 43.430 -5.231 133 HD13 LEU 15 HD13 LEU 15 4.326 42.606 -6.774 134 HD21 LEU 15 HD21 LEU 15 4.719 46.289 -7.673 135 HD22 LEU 15 HD22 LEU 15 5.333 44.636 -8.092 136 HD23 LEU 15 HD23 LEU 15 5.888 45.503 -6.639 137 H GLU 16 H GLU 16 1.911 45.926 -10.567 138 HA GLU 16 HA GLU 16 -0.893 45.322 -10.675 139 HB2 GLU 16 HB2 GLU 16 1.122 45.840 -12.958 140 HB3 GLU 16 HB3 GLU 16 -0.628 45.559 -13.038 141 HG2 GLU 16 HG2 GLU 16 -0.966 47.544 -11.551 142 HG3 GLU 16 HG3 GLU 16 0.727 48.082 -11.699 143 H VAL 17 H VAL 17 -1.589 43.290 -10.954 144 HA VAL 17 HA VAL 17 0.219 41.093 -11.939 145 HB VAL 17 HB VAL 17 -0.707 39.767 -9.924 146 HG11 VAL 17 HG11 VAL 17 0.621 42.189 -8.833 147 HG12 VAL 17 HG12 VAL 17 1.557 40.965 -9.756 148 HG13 VAL 17 HG13 VAL 17 0.686 40.515 -8.198 149 HG21 VAL 17 HG21 VAL 17 -1.927 40.890 -8.091 150 HG22 VAL 17 HG22 VAL 17 -2.818 40.872 -9.680 151 HG23 VAL 17 HG23 VAL 17 -2.071 42.357 -9.090 152 H GLU 18 H GLU 18 -1.195 39.253 -12.783 153 HA GLU 18 HA GLU 18 -3.928 39.873 -13.322 154 HB2 GLU 18 HB2 GLU 18 -2.292 37.369 -13.990 155 HB3 GLU 18 HB3 GLU 18 -3.948 37.739 -14.530 156 HG2 GLU 18 HG2 GLU 18 -3.101 39.801 -15.533 157 HG3 GLU 18 HG3 GLU 18 -1.446 39.396 -15.178 158 HA PRO 19 HA PRO 19 -5.010 37.240 -9.789 159 HB2 PRO 19 HB2 PRO 19 -7.444 36.017 -10.649 160 HB3 PRO 19 HB3 PRO 19 -7.460 37.827 -10.526 161 HG2 PRO 19 HG2 PRO 19 -7.008 36.228 -13.051 162 HG3 PRO 19 HG3 PRO 19 -8.124 37.622 -12.762 163 HD2 PRO 19 HD2 PRO 19 -5.783 38.290 -13.772 164 HD3 PRO 19 HD3 PRO 19 -6.471 39.152 -12.422 165 H SER 20 H SER 20 -4.812 35.415 -12.929 166 HA SER 20 HA SER 20 -4.244 33.020 -11.414 167 HB2 SER 20 HB2 SER 20 -3.909 31.991 -13.800 168 HB3 SER 20 HB3 SER 20 -5.350 32.886 -13.398 169 HG SER 20 HG SER 20 -3.150 33.994 -14.869 170 H ASP 21 H ASP 21 -2.277 35.535 -11.357 171 HA ASP 21 HA ASP 21 0.191 34.263 -11.960 172 HB2 ASP 21 HB2 ASP 21 -0.470 36.804 -10.336 173 HB3 ASP 21 HB3 ASP 21 1.124 36.112 -10.525 174 H THR 22 H THR 22 1.723 33.107 -10.542 175 HA THR 22 HA THR 22 0.731 32.174 -8.069 176 HB THR 22 HB THR 22 2.732 30.944 -7.581 177 HG1 THR 22 HG1 THR 22 3.539 32.132 -10.015 178 HG21 THR 22 HG21 THR 22 1.112 29.671 -8.919 179 HG22 THR 22 HG22 THR 22 2.763 29.396 -9.609 180 HG23 THR 22 HG23 THR 22 1.608 30.413 -10.424 181 H ILE 23 H ILE 23 1.995 32.194 -5.993 182 HA ILE 23 HA ILE 23 2.490 34.904 -5.447 183 HB ILE 23 HB ILE 23 2.633 32.397 -3.806 184 HG12 ILE 23 HG12 ILE 23 1.396 33.816 -2.180 185 HG13 ILE 23 HG13 ILE 23 1.407 35.202 -3.393 186 HG21 ILE 23 HG21 ILE 23 3.730 33.487 -1.878 187 HG22 ILE 23 HG22 ILE 23 4.212 34.911 -2.894 188 HG23 ILE 23 HG23 ILE 23 4.905 33.320 -3.253 189 HD11 ILE 23 HD11 ILE 23 0.048 34.116 -4.880 190 HD12 ILE 23 HD12 ILE 23 -0.632 33.725 -3.309 191 HD13 ILE 23 HD13 ILE 23 0.386 32.462 -4.159 192 H GLU 24 H GLU 24 4.933 32.380 -5.842 193 HA GLU 24 HA GLU 24 7.246 33.784 -6.067 194 HB2 GLU 24 HB2 GLU 24 5.893 31.927 -8.171 195 HB3 GLU 24 HB3 GLU 24 7.549 32.468 -8.320 196 HG2 GLU 24 HG2 GLU 24 6.510 30.469 -6.254 197 HG3 GLU 24 HG3 GLU 24 7.694 30.214 -7.561 198 H ASN 25 H ASN 25 4.688 34.191 -8.516 199 HA ASN 25 HA ASN 25 6.187 35.924 -9.981 200 HB2 ASN 25 HB2 ASN 25 3.072 35.415 -9.980 201 HB3 ASN 25 HB3 ASN 25 3.907 36.418 -11.135 202 HD21 ASN 25 HD21 ASN 25 6.047 34.937 -11.814 203 HD22 ASN 25 HD22 ASN 25 5.741 33.319 -12.205 204 H VAL 26 H VAL 26 4.354 36.439 -7.068 205 HA VAL 26 HA VAL 26 4.190 39.309 -7.529 206 HB VAL 26 HB VAL 26 3.603 37.605 -5.021 207 HG11 VAL 26 HG11 VAL 26 4.186 39.906 -4.487 208 HG12 VAL 26 HG12 VAL 26 2.464 39.343 -4.318 209 HG13 VAL 26 HG13 VAL 26 2.924 40.499 -5.613 210 HG21 VAL 26 HG21 VAL 26 1.945 38.455 -7.380 211 HG22 VAL 26 HG22 VAL 26 1.271 38.239 -5.683 212 HG23 VAL 26 HG23 VAL 26 1.838 36.892 -6.552 213 H LYS 27 H LYS 27 5.996 36.921 -5.513 214 HA LYS 27 HA LYS 27 7.708 38.828 -4.324 215 HB2 LYS 27 HB2 LYS 27 8.676 35.918 -4.924 216 HB3 LYS 27 HB3 LYS 27 9.340 37.040 -3.745 217 HG2 LYS 27 HG2 LYS 27 7.560 36.820 -2.234 218 HG3 LYS 27 HG3 LYS 27 6.617 35.926 -3.431 219 HD2 LYS 27 HD2 LYS 27 9.085 34.954 -1.830 220 HD3 LYS 27 HD3 LYS 27 7.413 34.328 -1.891 221 HE2 LYS 27 HE2 LYS 27 7.720 33.451 -4.074 222 HE3 LYS 27 HE3 LYS 27 9.327 34.053 -4.245 223 HZ1 LYS 27 HZ1 LYS 27 10.150 32.788 -2.599 224 HZ2 LYS 27 HZ2 LYS 27 9.207 31.753 -3.652 225 HZ3 LYS 27 HZ3 LYS 27 8.630 32.132 -2.160 226 H ALA 28 H ALA 28 8.298 37.117 -7.384 227 HA ALA 28 HA ALA 28 10.752 38.108 -8.006 228 HB1 ALA 28 HB1 ALA 28 9.949 37.491 -10.286 229 HB2 ALA 28 HB2 ALA 28 8.241 37.321 -9.750 230 HB3 ALA 28 HB3 ALA 28 9.650 36.377 -8.993 231 H LYS 29 H LYS 29 7.539 39.816 -8.303 232 HA LYS 29 HA LYS 29 8.930 41.904 -9.673 233 HB2 LYS 29 HB2 LYS 29 6.311 42.056 -8.065 234 HB3 LYS 29 HB3 LYS 29 6.927 43.256 -9.138 235 HG2 LYS 29 HG2 LYS 29 6.956 41.822 -11.086 236 HG3 LYS 29 HG3 LYS 29 6.486 40.461 -10.330 237 HD2 LYS 29 HD2 LYS 29 4.104 41.412 -9.763 238 HD3 LYS 29 HD3 LYS 29 4.625 42.829 -10.630 239 HE2 LYS 29 HE2 LYS 29 3.226 41.105 -12.007 240 HE3 LYS 29 HE3 LYS 29 4.810 41.750 -12.694 241 HZ1 LYS 29 HZ1 LYS 29 4.620 39.452 -13.033 242 HZ2 LYS 29 HZ2 LYS 29 4.410 39.240 -11.324 243 HZ3 LYS 29 HZ3 LYS 29 5.908 39.876 -11.982 244 H ILE 30 H ILE 30 8.143 41.311 -6.105 245 HA ILE 30 HA ILE 30 9.401 43.609 -5.092 246 HB ILE 30 HB ILE 30 9.024 40.820 -3.908 247 HG12 ILE 30 HG12 ILE 30 6.857 41.790 -4.525 248 HG13 ILE 30 HG13 ILE 30 7.116 41.877 -2.799 249 HG21 ILE 30 HG21 ILE 30 9.402 41.800 -1.624 250 HG22 ILE 30 HG22 ILE 30 9.626 43.439 -2.339 251 HG23 ILE 30 HG23 ILE 30 10.764 42.098 -2.705 252 HD11 ILE 30 HD11 ILE 30 7.937 44.245 -3.006 253 HD12 ILE 30 HD12 ILE 30 6.244 44.075 -3.415 254 HD13 ILE 30 HD13 ILE 30 7.466 44.272 -4.719 255 H GLN 31 H GLN 31 11.137 40.486 -5.822 256 HA GLN 31 HA GLN 31 13.648 41.427 -5.083 257 HB2 GLN 31 HB2 GLN 31 13.563 39.215 -5.689 258 HB3 GLN 31 HB3 GLN 31 12.731 39.506 -7.234 259 HG2 GLN 31 HG2 GLN 31 15.041 40.614 -7.901 260 HG3 GLN 31 HG3 GLN 31 15.573 40.211 -6.276 261 HE21 GLN 31 HE21 GLN 31 17.337 38.782 -7.401 262 HE22 GLN 31 HE22 GLN 31 16.912 37.314 -8.182 263 H ASP 32 H ASP 32 11.920 41.885 -8.276 264 HA ASP 32 HA ASP 32 14.017 43.414 -9.434 265 HB2 ASP 32 HB2 ASP 32 11.101 43.007 -9.858 266 HB3 ASP 32 HB3 ASP 32 11.696 44.555 -10.480 267 H LYS 33 H LYS 33 11.155 44.345 -7.511 268 HA LYS 33 HA LYS 33 11.494 47.149 -7.673 269 HB2 LYS 33 HB2 LYS 33 9.325 45.900 -7.566 270 HB3 LYS 33 HB3 LYS 33 9.552 45.634 -5.861 271 HG2 LYS 33 HG2 LYS 33 8.087 47.537 -5.977 272 HG3 LYS 33 HG3 LYS 33 9.611 48.208 -5.465 273 HD2 LYS 33 HD2 LYS 33 10.142 48.712 -7.968 274 HD3 LYS 33 HD3 LYS 33 8.503 48.114 -8.315 275 HE2 LYS 33 HE2 LYS 33 7.651 49.886 -6.783 276 HE3 LYS 33 HE3 LYS 33 9.304 50.513 -6.586 277 HZ1 LYS 33 HZ1 LYS 33 7.574 50.516 -9.060 278 HZ2 LYS 33 HZ2 LYS 33 9.285 50.707 -9.066 279 HZ3 LYS 33 HZ3 LYS 33 8.404 51.721 -8.158 280 H GLU 34 H GLU 34 12.208 44.969 -4.909 281 HA GLU 34 HA GLU 34 13.315 47.408 -3.434 282 HB2 GLU 34 HB2 GLU 34 11.484 45.246 -2.552 283 HB3 GLU 34 HB3 GLU 34 12.665 45.909 -1.340 284 HG2 GLU 34 HG2 GLU 34 10.429 47.486 -2.781 285 HG3 GLU 34 HG3 GLU 34 10.395 46.958 -1.093 286 H GLY 35 H GLY 35 14.073 44.527 -4.905 287 HA2 GLY 35 HA2 GLY 35 16.225 43.617 -5.179 288 HA3 GLY 35 HA3 GLY 35 16.728 44.615 -3.811 289 H ILE 36 H ILE 36 13.920 42.706 -3.063 290 HA ILE 36 HA ILE 36 15.614 41.356 -1.150 291 HB ILE 36 HB ILE 36 12.654 41.469 -1.409 292 HG12 ILE 36 HG12 ILE 36 14.231 42.650 0.902 293 HG13 ILE 36 HG13 ILE 36 13.888 43.657 -0.473 294 HG21 ILE 36 HG21 ILE 36 12.526 40.310 0.693 295 HG22 ILE 36 HG22 ILE 36 14.268 40.272 0.837 296 HG23 ILE 36 HG23 ILE 36 13.424 39.188 -0.300 297 HD11 ILE 36 HD11 ILE 36 11.638 42.329 1.010 298 HD12 ILE 36 HD12 ILE 36 11.489 43.331 -0.299 299 HD13 ILE 36 HD13 ILE 36 12.151 44.062 1.148 300 HA PRO 37 HA PRO 37 15.793 37.880 -3.908 301 HB2 PRO 37 HB2 PRO 37 16.314 36.564 -1.176 302 HB3 PRO 37 HB3 PRO 37 17.106 36.186 -2.726 303 HG2 PRO 37 HG2 PRO 37 18.340 37.682 -0.964 304 HG3 PRO 37 HG3 PRO 37 18.299 38.260 -2.727 305 HD2 PRO 37 HD2 PRO 37 16.511 39.162 -0.477 306 HD3 PRO 37 HD3 PRO 37 17.396 40.167 -1.736 307 HA PRO 38 HA PRO 38 11.634 36.027 -3.511 308 HB2 PRO 38 HB2 PRO 38 11.879 33.778 -5.114 309 HB3 PRO 38 HB3 PRO 38 11.625 35.549 -5.661 310 HG2 PRO 38 HG2 PRO 38 14.417 34.118 -5.362 311 HG3 PRO 38 HG3 PRO 38 13.723 34.923 -6.835 312 HD2 PRO 38 HD2 PRO 38 15.309 36.371 -5.183 313 HD3 PRO 38 HD3 PRO 38 13.748 36.942 -5.616 314 H ASP 39 H ASP 39 14.483 34.019 -2.920 315 HA ASP 39 HA ASP 39 12.914 32.092 -1.502 316 HB2 ASP 39 HB2 ASP 39 16.093 32.472 -1.644 317 HB3 ASP 39 HB3 ASP 39 15.164 31.010 -1.178 318 H GLN 40 H GLN 40 14.433 35.007 -0.525 319 HA GLN 40 HA GLN 40 14.878 34.234 2.269 320 HB2 GLN 40 HB2 GLN 40 15.649 36.721 0.768 321 HB3 GLN 40 HB3 GLN 40 15.692 36.490 2.532 322 HG2 GLN 40 HG2 GLN 40 17.242 34.744 0.499 323 HG3 GLN 40 HG3 GLN 40 17.952 36.156 1.371 324 HE21 GLN 40 HE21 GLN 40 16.929 35.857 3.786 325 HE22 GLN 40 HE22 GLN 40 17.221 34.277 4.574 326 H GLN 41 H GLN 41 12.113 34.956 0.668 327 HA GLN 41 HA GLN 41 10.987 36.641 2.945 328 HB2 GLN 41 HB2 GLN 41 10.079 38.175 1.636 329 HB3 GLN 41 HB3 GLN 41 11.536 37.936 0.711 330 HG2 GLN 41 HG2 GLN 41 10.396 36.378 -0.899 331 HG3 GLN 41 HG3 GLN 41 8.848 36.841 -0.082 332 HE21 GLN 41 HE21 GLN 41 11.712 37.886 -1.890 333 HE22 GLN 41 HE22 GLN 41 11.039 39.239 -2.714 334 H ARG 42 H ARG 42 8.908 36.340 3.348 335 HA ARG 42 HA ARG 42 7.371 34.379 1.827 336 HB2 ARG 42 HB2 ARG 42 7.006 34.675 4.829 337 HB3 ARG 42 HB3 ARG 42 6.284 33.429 3.657 338 HG2 ARG 42 HG2 ARG 42 9.223 33.529 4.490 339 HG3 ARG 42 HG3 ARG 42 7.975 32.509 5.208 340 HD2 ARG 42 HD2 ARG 42 7.543 31.425 3.005 341 HD3 ARG 42 HD3 ARG 42 8.779 32.500 2.288 342 HE ARG 42 HE ARG 42 9.423 30.149 4.081 343 HH11 ARG 42 HH11 ARG 42 10.707 33.084 2.521 344 HH12 ARG 42 HH12 ARG 42 12.320 32.677 3.055 345 HH21 ARG 42 HH21 ARG 42 11.463 30.115 5.000 346 HH22 ARG 42 HH22 ARG 42 12.697 30.708 3.979 347 H LEU 43 H LEU 43 5.011 35.031 1.462 348 HA LEU 43 HA LEU 43 4.306 37.702 2.489 349 HB2 LEU 43 HB2 LEU 43 3.394 36.033 0.092 350 HB3 LEU 43 HB3 LEU 43 2.585 37.622 0.443 351 HG LEU 43 HG LEU 43 5.355 37.004 -0.678 352 HD11 LEU 43 HD11 LEU 43 4.653 38.777 -2.189 353 HD12 LEU 43 HD12 LEU 43 3.056 38.856 -1.259 354 HD13 LEU 43 HD13 LEU 43 3.522 37.354 -2.099 355 HD21 LEU 43 HD21 LEU 43 5.929 38.693 1.156 356 HD22 LEU 43 HD22 LEU 43 4.392 39.467 0.987 357 HD23 LEU 43 HD23 LEU 43 5.656 39.673 -0.353 358 H ILE 44 H ILE 44 2.598 38.037 3.645 359 HA ILE 44 HA ILE 44 1.101 35.827 4.762 360 HB ILE 44 HB ILE 44 1.828 38.604 5.853 361 HG12 ILE 44 HG12 ILE 44 4.018 37.558 5.438 362 HG13 ILE 44 HG13 ILE 44 3.787 37.759 7.162 363 HG21 ILE 44 HG21 ILE 44 1.438 37.621 8.076 364 HG22 ILE 44 HG22 ILE 44 1.289 36.026 7.377 365 HG23 ILE 44 HG23 ILE 44 0.036 37.289 7.019 366 HD11 ILE 44 HD11 ILE 44 3.362 35.355 7.494 367 HD12 ILE 44 HD12 ILE 44 4.735 35.562 6.371 368 HD13 ILE 44 HD13 ILE 44 3.177 35.224 5.691 369 H PHE 45 H PHE 45 -1.092 36.336 5.131 370 HA PHE 45 HA PHE 45 -2.269 38.880 4.269 371 HB2 PHE 45 HB2 PHE 45 -2.432 37.326 2.349 372 HB3 PHE 45 HB3 PHE 45 -3.166 36.115 3.450 373 HD1 PHE 45 HD1 PHE 45 -3.459 39.693 2.450 374 HD2 PHE 45 HD2 PHE 45 -5.654 36.210 3.703 375 HE1 PHE 45 HE1 PHE 45 -5.717 40.729 1.808 376 HE2 PHE 45 HE2 PHE 45 -7.811 37.305 3.274 377 HZ PHE 45 HZ PHE 45 -7.788 39.462 2.120 378 H ALA 46 H ALA 46 -3.756 39.444 6.013 379 HA ALA 46 HA ALA 46 -5.070 39.260 7.769 380 HB1 ALA 46 HB1 ALA 46 -6.462 38.204 6.396 381 HB2 ALA 46 HB2 ALA 46 -6.682 37.437 7.883 382 HB3 ALA 46 HB3 ALA 46 -5.684 36.560 6.589 383 H GLY 47 H GLY 47 -2.057 38.166 8.191 384 HA2 GLY 47 HA2 GLY 47 -1.048 37.269 10.090 385 HA3 GLY 47 HA3 GLY 47 -2.543 36.568 10.727 386 H LYS 48 H LYS 48 -2.262 35.586 7.492 387 HA LYS 48 HA LYS 48 -1.504 32.999 8.522 388 HB2 LYS 48 HB2 LYS 48 -3.260 33.662 6.035 389 HB3 LYS 48 HB3 LYS 48 -3.025 32.085 6.746 390 HG2 LYS 48 HG2 LYS 48 -3.897 33.244 8.881 391 HG3 LYS 48 HG3 LYS 48 -4.691 34.392 7.769 392 HD2 LYS 48 HD2 LYS 48 -4.991 31.368 7.759 393 HD3 LYS 48 HD3 LYS 48 -6.239 32.546 8.287 394 HE2 LYS 48 HE2 LYS 48 -6.191 33.589 5.780 395 HE3 LYS 48 HE3 LYS 48 -5.229 32.119 5.425 396 HZ1 LYS 48 HZ1 LYS 48 -6.986 30.809 6.156 397 HZ2 LYS 48 HZ2 LYS 48 -7.679 32.009 5.151 398 HZ3 LYS 48 HZ3 LYS 48 -7.726 32.154 6.865 399 H GLN 49 H GLN 49 0.023 31.729 6.874 400 HA GLN 49 HA GLN 49 1.354 33.608 5.134 401 HB2 GLN 49 HB2 GLN 49 2.531 32.904 7.078 402 HB3 GLN 49 HB3 GLN 49 2.235 31.196 6.747 403 HG2 GLN 49 HG2 GLN 49 3.629 31.168 4.758 404 HG3 GLN 49 HG3 GLN 49 4.049 32.890 4.966 405 HE21 GLN 49 HE21 GLN 49 5.700 29.927 5.333 406 HE22 GLN 49 HE22 GLN 49 6.194 30.056 6.974 407 H LEU 50 H LEU 50 1.465 33.220 3.076 408 HA LEU 50 HA LEU 50 -0.156 31.082 2.089 409 HB2 LEU 50 HB2 LEU 50 1.123 33.564 0.756 410 HB3 LEU 50 HB3 LEU 50 -0.055 32.452 -0.032 411 HG LEU 50 HG LEU 50 -0.659 34.253 2.427 412 HD11 LEU 50 HD11 LEU 50 -1.549 35.877 0.946 413 HD12 LEU 50 HD12 LEU 50 -0.940 34.894 -0.501 414 HD13 LEU 50 HD13 LEU 50 0.110 35.716 0.692 415 HD21 LEU 50 HD21 LEU 50 -2.876 33.720 2.039 416 HD22 LEU 50 HD22 LEU 50 -2.133 32.146 1.886 417 HD23 LEU 50 HD23 LEU 50 -2.620 33.220 0.427 418 H GLU 51 H GLU 51 0.528 29.446 0.726 419 HA GLU 51 HA GLU 51 3.168 28.844 0.373 420 HB2 GLU 51 HB2 GLU 51 0.719 27.709 -0.836 421 HB3 GLU 51 HB3 GLU 51 2.310 26.907 -1.085 422 HG2 GLU 51 HG2 GLU 51 2.630 26.787 1.466 423 HG3 GLU 51 HG3 GLU 51 0.905 27.052 1.681 424 H ASP 52 H ASP 52 4.548 29.302 -0.927 425 HA ASP 52 HA ASP 52 4.513 31.158 -2.861 426 HB2 ASP 52 HB2 ASP 52 6.641 28.964 -2.842 427 HB3 ASP 52 HB3 ASP 52 6.816 30.711 -3.248 428 H GLY 53 H GLY 53 4.137 27.790 -3.982 429 HA2 GLY 53 HA2 GLY 53 4.228 28.781 -6.688 430 HA3 GLY 53 HA3 GLY 53 4.180 27.024 -6.297 431 H ARG 54 H ARG 54 1.717 28.696 -4.598 432 HA ARG 54 HA ARG 54 -0.230 27.705 -6.544 433 HB2 ARG 54 HB2 ARG 54 -0.941 28.967 -3.773 434 HB3 ARG 54 HB3 ARG 54 -2.029 28.053 -4.846 435 HG2 ARG 54 HG2 ARG 54 -0.301 26.118 -4.528 436 HG3 ARG 54 HG3 ARG 54 0.352 27.016 -3.148 437 HD2 ARG 54 HD2 ARG 54 -1.670 27.040 -1.896 438 HD3 ARG 54 HD3 ARG 54 -2.539 26.207 -3.171 439 HE ARG 54 HE ARG 54 -0.362 25.073 -1.496 440 HH11 ARG 54 HH11 ARG 54 -2.465 24.649 -4.177 441 HH12 ARG 54 HH12 ARG 54 -1.973 23.036 -4.533 442 HH21 ARG 54 HH21 ARG 54 0.143 23.099 -1.793 443 HH22 ARG 54 HH22 ARG 54 -0.941 21.950 -2.646 444 H THR 55 H THR 55 -2.448 29.420 -6.501 445 HA THR 55 HA THR 55 -1.106 31.866 -7.436 446 HB THR 55 HB THR 55 -3.013 32.267 -8.962 447 HG1 THR 55 HG1 THR 55 -3.804 29.759 -8.044 448 HG21 THR 55 HG21 THR 55 -1.821 29.621 -9.424 449 HG22 THR 55 HG22 THR 55 -0.997 31.122 -9.857 450 HG23 THR 55 HG23 THR 55 -2.585 30.580 -10.599 451 H LEU 56 H LEU 56 -2.284 33.750 -7.482 452 HA LEU 56 HA LEU 56 -3.384 34.549 -5.032 453 HB2 LEU 56 HB2 LEU 56 -3.470 36.003 -7.644 454 HB3 LEU 56 HB3 LEU 56 -4.069 36.630 -6.071 455 HG LEU 56 HG LEU 56 -1.215 35.892 -6.809 456 HD11 LEU 56 HD11 LEU 56 -2.211 37.899 -8.019 457 HD12 LEU 56 HD12 LEU 56 -0.702 38.213 -7.031 458 HD13 LEU 56 HD13 LEU 56 -2.305 38.705 -6.421 459 HD21 LEU 56 HD21 LEU 56 -2.090 37.443 -4.224 460 HD22 LEU 56 HD22 LEU 56 -0.569 37.038 -4.683 461 HD23 LEU 56 HD23 LEU 56 -1.648 35.715 -4.302 462 H SER 57 H SER 57 -4.775 33.502 -8.011 463 HA SER 57 HA SER 57 -7.493 33.941 -7.278 464 HB2 SER 57 HB2 SER 57 -6.992 33.550 -9.670 465 HB3 SER 57 HB3 SER 57 -6.449 31.913 -9.330 466 HG SER 57 HG SER 57 -9.045 33.114 -9.112 467 H ASP 58 H ASP 58 -5.321 31.024 -6.711 468 HA ASP 58 HA ASP 58 -7.393 29.522 -5.641 469 HB2 ASP 58 HB2 ASP 58 -4.473 29.691 -4.936 470 HB3 ASP 58 HB3 ASP 58 -5.496 28.339 -4.390 471 H TYR 59 H TYR 59 -5.287 32.050 -3.942 472 HA TYR 59 HA TYR 59 -6.442 31.328 -1.441 473 HB2 TYR 59 HB2 TYR 59 -4.157 33.194 -2.354 474 HB3 TYR 59 HB3 TYR 59 -4.873 33.338 -0.661 475 HD1 TYR 59 HD1 TYR 59 -2.342 31.714 -2.672 476 HD2 TYR 59 HD2 TYR 59 -5.230 31.015 0.499 477 HE1 TYR 59 HE1 TYR 59 -0.914 29.862 -1.755 478 HE2 TYR 59 HE2 TYR 59 -3.667 29.195 1.424 479 HH TYR 59 HH TYR 59 -1.579 28.383 1.359 480 H ASN 60 H ASN 60 -7.471 32.985 -3.959 481 HA ASN 60 HA ASN 60 -9.179 34.464 -4.504 482 HB2 ASN 60 HB2 ASN 60 -9.933 34.068 -1.490 483 HB3 ASN 60 HB3 ASN 60 -11.000 34.725 -2.693 484 HD21 ASN 60 HD21 ASN 60 -10.667 31.971 -1.139 485 HD22 ASN 60 HD22 ASN 60 -11.526 30.928 -2.195 486 H ILE 61 H ILE 61 -6.617 35.602 -3.935 487 HA ILE 61 HA ILE 61 -7.091 38.045 -2.520 488 HB ILE 61 HB ILE 61 -4.798 37.053 -4.176 489 HG12 ILE 61 HG12 ILE 61 -4.853 35.869 -2.113 490 HG13 ILE 61 HG13 ILE 61 -3.539 37.007 -1.893 491 HG21 ILE 61 HG21 ILE 61 -4.548 39.294 -4.565 492 HG22 ILE 61 HG22 ILE 61 -3.470 39.005 -3.243 493 HG23 ILE 61 HG23 ILE 61 -5.082 39.832 -2.976 494 HD11 ILE 61 HD11 ILE 61 -6.389 37.169 -0.695 495 HD12 ILE 61 HD12 ILE 61 -5.218 38.560 -0.663 496 HD13 ILE 61 HD13 ILE 61 -4.749 37.030 0.075 497 H GLN 62 H GLN 62 -8.275 39.774 -3.234 498 HA GLN 62 HA GLN 62 -8.637 40.056 -6.147 499 HB2 GLN 62 HB2 GLN 62 -10.361 41.555 -4.093 500 HB3 GLN 62 HB3 GLN 62 -10.706 41.034 -5.658 501 HG2 GLN 62 HG2 GLN 62 -10.631 39.176 -3.257 502 HG3 GLN 62 HG3 GLN 62 -12.107 40.024 -3.819 503 HE21 GLN 62 HE21 GLN 62 -9.691 37.646 -5.033 504 HE22 GLN 62 HE22 GLN 62 -10.902 36.791 -5.931 505 H LYS 63 H LYS 63 -8.682 42.369 -7.093 506 HA LYS 63 HA LYS 63 -6.917 44.110 -6.906 507 HB2 LYS 63 HB2 LYS 63 -8.556 44.353 -8.406 508 HB3 LYS 63 HB3 LYS 63 -9.885 44.151 -7.248 509 HG2 LYS 63 HG2 LYS 63 -9.653 46.404 -6.390 510 HG3 LYS 63 HG3 LYS 63 -8.269 46.774 -7.408 511 HD2 LYS 63 HD2 LYS 63 -10.363 47.672 -8.283 512 HD3 LYS 63 HD3 LYS 63 -9.625 46.502 -9.405 513 HE2 LYS 63 HE2 LYS 63 -12.036 46.369 -9.517 514 HE3 LYS 63 HE3 LYS 63 -11.274 44.826 -8.859 515 HZ1 LYS 63 HZ1 LYS 63 -13.256 45.518 -7.533 516 HZ2 LYS 63 HZ2 LYS 63 -12.402 46.980 -7.139 517 HZ3 LYS 63 HZ3 LYS 63 -11.888 45.441 -6.648 518 H GLU 64 H GLU 64 -5.952 45.420 -5.527 519 HA GLU 64 HA GLU 64 -5.467 46.845 -4.048 520 HB2 GLU 64 HB2 GLU 64 -8.346 47.544 -3.669 521 HB3 GLU 64 HB3 GLU 64 -6.890 48.310 -2.914 522 HG2 GLU 64 HG2 GLU 64 -6.060 49.286 -4.721 523 HG3 GLU 64 HG3 GLU 64 -6.876 48.155 -5.924 524 H SER 65 H SER 65 -5.785 44.017 -3.265 525 HA SER 65 HA SER 65 -6.341 43.943 -0.363 526 HB2 SER 65 HB2 SER 65 -4.926 41.932 -2.236 527 HB3 SER 65 HB3 SER 65 -5.149 41.566 -0.481 528 HG SER 65 HG SER 65 -7.076 42.200 -2.326 529 H THR 66 H THR 66 -4.875 43.909 1.263 530 HA THR 66 HA THR 66 -2.161 44.884 0.654 531 HB THR 66 HB THR 66 -3.419 44.836 3.392 532 HG1 THR 66 HG1 THR 66 -4.398 46.208 2.333 533 HG21 THR 66 HG21 THR 66 -0.836 46.049 2.476 534 HG22 THR 66 HG22 THR 66 -1.007 44.557 3.469 535 HG23 THR 66 HG23 THR 66 -1.512 46.105 4.124 536 H LEU 67 H LEU 67 -0.768 43.187 0.473 537 HA LEU 67 HA LEU 67 -0.940 40.857 2.261 538 HB2 LEU 67 HB2 LEU 67 0.925 41.193 -0.109 539 HB3 LEU 67 HB3 LEU 67 0.725 39.670 0.793 540 HG LEU 67 HG LEU 67 -1.251 41.079 -1.082 541 HD11 LEU 67 HD11 LEU 67 0.367 40.364 -2.446 542 HD12 LEU 67 HD12 LEU 67 -0.821 39.089 -2.510 543 HD13 LEU 67 HD13 LEU 67 0.626 38.772 -1.603 544 HD21 LEU 67 HD21 LEU 67 -2.400 39.578 0.768 545 HD22 LEU 67 HD22 LEU 67 -1.465 38.305 0.038 546 HD23 LEU 67 HD23 LEU 67 -2.767 39.177 -0.901 547 H HIS 68 H HIS 68 1.354 40.249 3.213 548 HA HIS 68 HA HIS 68 3.055 42.570 3.621 549 HB2 HIS 68 HB2 HIS 68 2.310 40.843 5.989 550 HB3 HIS 68 HB3 HIS 68 3.201 42.336 5.902 551 HD1 HIS 68 HD1 HIS 68 2.192 44.062 7.096 552 HD2 HIS 68 HD2 HIS 68 -0.664 42.022 4.870 553 HE1 HIS 68 HE1 HIS 68 -0.034 45.133 7.654 554 H LEU 69 H LEU 69 5.140 42.095 4.558 555 HA LEU 69 HA LEU 69 6.093 39.770 3.104 556 HB2 LEU 69 HB2 LEU 69 6.705 42.098 2.380 557 HB3 LEU 69 HB3 LEU 69 7.600 42.406 3.836 558 HG LEU 69 HG LEU 69 8.113 39.965 2.102 559 HD11 LEU 69 HD11 LEU 69 7.936 41.347 0.242 560 HD12 LEU 69 HD12 LEU 69 9.685 41.428 0.605 561 HD13 LEU 69 HD13 LEU 69 8.733 42.786 1.140 562 HD21 LEU 69 HD21 LEU 69 9.490 40.544 4.090 563 HD22 LEU 69 HD22 LEU 69 10.037 41.973 3.245 564 HD23 LEU 69 HD23 LEU 69 10.482 40.384 2.590 565 H VAL 70 H VAL 70 7.473 38.360 4.269 566 HA VAL 70 HA VAL 70 8.450 39.149 6.932 567 HB VAL 70 HB VAL 70 6.875 36.844 6.029 568 HG11 VAL 70 HG11 VAL 70 9.151 36.456 8.139 569 HG12 VAL 70 HG12 VAL 70 8.962 35.570 6.603 570 HG13 VAL 70 HG13 VAL 70 7.743 35.422 7.970 571 HG21 VAL 70 HG21 VAL 70 6.145 37.128 8.527 572 HG22 VAL 70 HG22 VAL 70 5.847 38.484 7.472 573 HG23 VAL 70 HG23 VAL 70 7.233 38.578 8.512 574 H LEU 71 H LEU 71 10.783 38.497 7.300 575 HA LEU 71 HA LEU 71 12.049 37.432 4.915 576 HB2 LEU 71 HB2 LEU 71 12.954 39.282 7.113 577 HB3 LEU 71 HB3 LEU 71 14.118 38.602 5.991 578 HG LEU 71 HG LEU 71 11.661 40.370 5.229 579 HD11 LEU 71 HD11 LEU 71 14.401 41.317 6.084 580 HD12 LEU 71 HD12 LEU 71 13.014 41.256 7.196 581 HD13 LEU 71 HD13 LEU 71 12.936 42.319 5.710 582 HD21 LEU 71 HD21 LEU 71 14.538 40.210 4.033 583 HD22 LEU 71 HD22 LEU 71 13.132 41.241 3.503 584 HD23 LEU 71 HD23 LEU 71 13.117 39.420 3.354 585 H ARG 72 H ARG 72 13.000 35.493 4.942 586 HA ARG 72 HA ARG 72 13.911 34.378 7.397 587 HB2 ARG 72 HB2 ARG 72 11.511 33.351 5.964 588 HB3 ARG 72 HB3 ARG 72 12.414 32.275 7.039 589 HG2 ARG 72 HG2 ARG 72 10.804 34.777 7.993 590 HG3 ARG 72 HG3 ARG 72 10.400 33.067 7.944 591 HD2 ARG 72 HD2 ARG 72 12.121 32.558 9.530 592 HD3 ARG 72 HD3 ARG 72 12.797 34.164 9.394 593 HE ARG 72 HE ARG 72 10.205 33.321 10.693 594 HH11 ARG 72 HH11 ARG 72 11.929 36.221 9.910 595 HH12 ARG 72 HH12 ARG 72 10.723 37.275 10.703 596 HH21 ARG 72 HH21 ARG 72 9.318 34.544 12.210 597 HH22 ARG 72 HH22 ARG 72 9.557 36.217 12.415 598 H LEU 73 H LEU 73 14.886 32.327 7.094 599 HA LEU 73 HA LEU 73 16.771 32.390 5.110 600 HB2 LEU 73 HB2 LEU 73 17.082 31.340 7.221 601 HB3 LEU 73 HB3 LEU 73 16.005 30.010 6.780 602 HG LEU 73 HG LEU 73 17.639 29.405 4.975 603 HD11 LEU 73 HD11 LEU 73 19.436 31.339 6.491 604 HD12 LEU 73 HD12 LEU 73 18.896 31.470 4.716 605 HD13 LEU 73 HD13 LEU 73 20.076 30.268 5.293 606 HD21 LEU 73 HD21 LEU 73 17.757 28.052 7.077 607 HD22 LEU 73 HD22 LEU 73 18.588 29.253 7.931 608 HD23 LEU 73 HD23 LEU 73 19.490 28.434 6.616 609 H ARG 74 H ARG 74 17.315 31.517 3.083 610 HA ARG 74 HA ARG 74 15.715 30.620 1.341 611 HB2 ARG 74 HB2 ARG 74 17.806 29.495 0.281 612 HB3 ARG 74 HB3 ARG 74 17.669 31.197 0.496 613 HG2 ARG 74 HG2 ARG 74 19.864 30.524 1.086 614 HG3 ARG 74 HG3 ARG 74 19.137 31.094 2.574 615 HD2 ARG 74 HD2 ARG 74 18.828 28.626 3.104 616 HD3 ARG 74 HD3 ARG 74 19.566 28.197 1.565 617 HE ARG 74 HE ARG 74 21.371 29.995 2.699 618 HH11 ARG 74 HH11 ARG 74 20.283 26.713 3.607 619 HH12 ARG 74 HH12 ARG 74 21.808 26.412 4.253 620 HH21 ARG 74 HH21 ARG 74 23.154 29.548 3.719 621 HH22 ARG 74 HH22 ARG 74 23.382 27.946 4.449 622 H GLY 75 H GLY 75 15.702 28.558 0.257 623 HA2 GLY 75 HA2 GLY 75 15.508 26.055 1.809 624 HA3 GLY 75 HA3 GLY 75 14.805 26.380 0.198 625 H GLY 76 H GLY 76 15.724 25.427 -1.267 626 HA2 GLY 76 HA2 GLY 76 18.708 25.090 -1.316 627 HA3 GLY 76 HA3 GLY 76 17.697 24.127 -2.363 Start of MODEL 10 1 H MET 1 HT1 MET 1 -3.845 43.174 -11.960 2 HA MET 1 HA MET 1 -5.458 45.540 -11.390 3 HB2 MET 1 HB2 MET 1 -6.743 44.570 -9.848 4 HB3 MET 1 HB3 MET 1 -6.772 43.217 -10.989 5 HG2 MET 1 HG2 MET 1 -5.255 43.495 -8.292 6 HG3 MET 1 HG3 MET 1 -6.762 42.670 -8.608 7 HE1 MET 1 HE1 MET 1 -4.200 40.973 -7.243 8 HE2 MET 1 HE2 MET 1 -4.970 39.518 -7.968 9 HE3 MET 1 HE3 MET 1 -5.966 40.777 -7.329 10 H GLN 2 H GLN 2 -4.938 46.455 -9.126 11 HA GLN 2 HA GLN 2 -2.083 45.971 -8.595 12 HB2 GLN 2 HB2 GLN 2 -2.064 48.306 -7.650 13 HB3 GLN 2 HB3 GLN 2 -2.812 48.333 -9.207 14 HG2 GLN 2 HG2 GLN 2 -5.031 48.230 -8.202 15 HG3 GLN 2 HG3 GLN 2 -4.338 48.283 -6.576 16 HE21 GLN 2 HE21 GLN 2 -5.996 50.275 -7.991 17 HE22 GLN 2 HE22 GLN 2 -5.224 51.794 -7.918 18 H ILE 3 H ILE 3 -1.272 45.374 -6.658 19 HA ILE 3 HA ILE 3 -3.111 45.310 -4.466 20 HB ILE 3 HB ILE 3 -2.234 43.301 -3.482 21 HG12 ILE 3 HG12 ILE 3 -0.353 43.236 -5.866 22 HG13 ILE 3 HG13 ILE 3 0.065 43.479 -4.172 23 HG21 ILE 3 HG21 ILE 3 -3.091 42.928 -6.378 24 HG22 ILE 3 HG22 ILE 3 -4.194 43.028 -4.834 25 HG23 ILE 3 HG23 ILE 3 -3.093 41.654 -5.228 26 HD11 ILE 3 HD11 ILE 3 -0.719 40.973 -5.641 27 HD12 ILE 3 HD12 ILE 3 -1.028 41.087 -3.886 28 HD13 ILE 3 HD13 ILE 3 0.583 41.147 -4.591 29 H PHE 4 H PHE 4 -1.770 45.332 -2.278 30 HA PHE 4 HA PHE 4 0.601 46.939 -2.648 31 HB2 PHE 4 HB2 PHE 4 -1.152 47.004 -0.182 32 HB3 PHE 4 HB3 PHE 4 0.037 48.260 -0.680 33 HD1 PHE 4 HD1 PHE 4 -3.172 48.182 -0.258 34 HD2 PHE 4 HD2 PHE 4 -0.534 48.643 -3.564 35 HE1 PHE 4 HE1 PHE 4 -5.063 49.193 -1.586 36 HE2 PHE 4 HE2 PHE 4 -2.134 50.285 -4.532 37 HZ PHE 4 HZ PHE 4 -4.405 50.405 -3.755 38 H VAL 5 H VAL 5 2.463 46.476 -1.346 39 HA VAL 5 HA VAL 5 2.032 44.330 0.470 40 HB VAL 5 HB VAL 5 4.152 44.447 -1.537 41 HG11 VAL 5 HG11 VAL 5 5.099 43.441 1.114 42 HG12 VAL 5 HG12 VAL 5 5.643 45.001 0.363 43 HG13 VAL 5 HG13 VAL 5 5.857 43.427 -0.452 44 HG21 VAL 5 HG21 VAL 5 2.530 42.818 -1.496 45 HG22 VAL 5 HG22 VAL 5 2.895 42.258 0.155 46 HG23 VAL 5 HG23 VAL 5 4.033 42.038 -1.266 47 H LYS 6 H LYS 6 2.703 44.519 2.549 48 HA LYS 6 HA LYS 6 4.024 47.041 3.273 49 HB2 LYS 6 HB2 LYS 6 1.977 46.468 4.519 50 HB3 LYS 6 HB3 LYS 6 2.742 44.921 4.966 51 HG2 LYS 6 HG2 LYS 6 2.852 46.206 6.838 52 HG3 LYS 6 HG3 LYS 6 4.506 46.107 6.218 53 HD2 LYS 6 HD2 LYS 6 4.171 48.361 6.964 54 HD3 LYS 6 HD3 LYS 6 4.394 48.278 5.135 55 HE2 LYS 6 HE2 LYS 6 3.032 49.963 5.667 56 HE3 LYS 6 HE3 LYS 6 1.968 48.775 4.977 57 HZ1 LYS 6 HZ1 LYS 6 1.267 48.122 7.116 58 HZ2 LYS 6 HZ2 LYS 6 1.012 49.837 6.871 59 HZ3 LYS 6 HZ3 LYS 6 2.316 49.269 7.831 60 H THR 7 H THR 7 6.236 47.055 3.580 61 HA THR 7 HA THR 7 7.695 44.400 3.752 62 HB THR 7 HB THR 7 9.655 45.799 3.583 63 HG1 THR 7 HG1 THR 7 9.515 47.816 3.637 64 HG21 THR 7 HG21 THR 7 8.512 44.893 1.444 65 HG22 THR 7 HG22 THR 7 9.299 46.410 1.175 66 HG23 THR 7 HG23 THR 7 7.516 46.407 1.376 67 H LEU 8 H LEU 8 9.498 44.262 5.250 68 HA LEU 8 HA LEU 8 8.781 44.361 8.042 69 HB2 LEU 8 HB2 LEU 8 11.603 43.952 6.881 70 HB3 LEU 8 HB3 LEU 8 11.232 43.885 8.560 71 HG LEU 8 HG LEU 8 9.793 41.869 6.592 72 HD11 LEU 8 HD11 LEU 8 12.184 41.674 6.691 73 HD12 LEU 8 HD12 LEU 8 11.229 40.387 7.619 74 HD13 LEU 8 HD13 LEU 8 12.257 41.633 8.418 75 HD21 LEU 8 HD21 LEU 8 9.936 42.262 9.607 76 HD22 LEU 8 HD22 LEU 8 9.257 40.787 8.847 77 HD23 LEU 8 HD23 LEU 8 8.430 42.285 8.662 78 H THR 9 H THR 9 10.658 46.448 6.021 79 HA THR 9 HA THR 9 11.835 48.238 7.913 80 HB THR 9 HB THR 9 12.208 49.428 5.851 81 HG1 THR 9 HG1 THR 9 11.787 48.337 3.920 82 HG21 THR 9 HG21 THR 9 12.926 46.388 5.683 83 HG22 THR 9 HG22 THR 9 13.725 47.613 6.623 84 HG23 THR 9 HG23 THR 9 13.731 47.789 4.855 85 H GLY 10 H GLY 10 8.564 47.836 6.834 86 HA2 GLY 10 HA2 GLY 10 6.763 48.919 7.336 87 HA3 GLY 10 HA3 GLY 10 7.790 50.230 7.956 88 H LYS 11 H LYS 11 8.251 49.234 4.507 89 HA LYS 11 HA LYS 11 6.950 51.717 3.614 90 HB2 LYS 11 HB2 LYS 11 8.798 49.807 2.133 91 HB3 LYS 11 HB3 LYS 11 8.139 51.281 1.426 92 HG2 LYS 11 HG2 LYS 11 10.349 50.963 3.542 93 HG3 LYS 11 HG3 LYS 11 10.489 51.641 1.994 94 HD2 LYS 11 HD2 LYS 11 9.304 53.698 2.687 95 HD3 LYS 11 HD3 LYS 11 8.897 52.987 4.256 96 HE2 LYS 11 HE2 LYS 11 11.599 52.656 4.458 97 HE3 LYS 11 HE3 LYS 11 11.529 53.902 3.179 98 HZ1 LYS 11 HZ1 LYS 11 11.694 55.092 5.133 99 HZ2 LYS 11 HZ2 LYS 11 10.433 54.175 5.839 100 HZ3 LYS 11 HZ3 LYS 11 10.209 55.126 4.459 101 H THR 12 H THR 12 4.988 51.732 2.651 102 HA THR 12 HA THR 12 3.739 49.264 1.812 103 HB THR 12 HB THR 12 2.553 52.095 1.587 104 HG1 THR 12 HG1 THR 12 2.805 51.314 3.792 105 HG21 THR 12 HG21 THR 12 0.409 50.915 1.231 106 HG22 THR 12 HG22 THR 12 1.191 49.324 1.287 107 HG23 THR 12 HG23 THR 12 1.593 50.362 -0.028 108 H ILE 13 H ILE 13 4.299 48.488 -0.044 109 HA ILE 13 HA ILE 13 5.111 50.206 -2.176 110 HB ILE 13 HB ILE 13 6.262 48.423 -3.151 111 HG12 ILE 13 HG12 ILE 13 5.934 47.152 -0.513 112 HG13 ILE 13 HG13 ILE 13 5.105 46.640 -1.973 113 HG21 ILE 13 HG21 ILE 13 8.282 48.826 -1.766 114 HG22 ILE 13 HG22 ILE 13 7.200 49.130 -0.315 115 HG23 ILE 13 HG23 ILE 13 7.363 50.311 -1.618 116 HD11 ILE 13 HD11 ILE 13 7.173 45.027 -1.628 117 HD12 ILE 13 HD12 ILE 13 8.185 46.472 -1.417 118 HD13 ILE 13 HD13 ILE 13 7.536 46.114 -2.965 119 H THR 14 H THR 14 4.502 49.650 -4.481 120 HA THR 14 HA THR 14 1.887 48.341 -4.400 121 HB THR 14 HB THR 14 2.669 50.781 -5.982 122 HG1 THR 14 HG1 THR 14 1.979 51.234 -3.928 123 HG21 THR 14 HG21 THR 14 0.036 50.692 -6.507 124 HG22 THR 14 HG22 THR 14 0.159 49.037 -5.822 125 HG23 THR 14 HG23 THR 14 0.953 49.366 -7.357 126 H LEU 15 H LEU 15 1.421 46.792 -5.757 127 HA LEU 15 HA LEU 15 3.478 45.987 -7.620 128 HB2 LEU 15 HB2 LEU 15 1.840 44.147 -5.884 129 HB3 LEU 15 HB3 LEU 15 3.141 43.630 -6.860 130 HG LEU 15 HG LEU 15 3.265 45.466 -4.476 131 HD11 LEU 15 HD11 LEU 15 3.011 43.141 -3.761 132 HD12 LEU 15 HD12 LEU 15 4.777 43.365 -3.697 133 HD13 LEU 15 HD13 LEU 15 4.122 42.506 -5.056 134 HD21 LEU 15 HD21 LEU 15 5.885 45.220 -4.738 135 HD22 LEU 15 HD22 LEU 15 4.939 46.238 -5.954 136 HD23 LEU 15 HD23 LEU 15 5.567 44.720 -6.493 137 H GLU 16 H GLU 16 2.697 45.571 -9.643 138 HA GLU 16 HA GLU 16 -0.295 45.473 -10.081 139 HB2 GLU 16 HB2 GLU 16 1.933 46.082 -12.096 140 HB3 GLU 16 HB3 GLU 16 0.137 46.268 -12.224 141 HG2 GLU 16 HG2 GLU 16 0.244 48.013 -10.339 142 HG3 GLU 16 HG3 GLU 16 2.022 48.014 -10.529 143 H VAL 17 H VAL 17 -1.093 43.708 -10.829 144 HA VAL 17 HA VAL 17 0.411 41.265 -11.695 145 HB VAL 17 HB VAL 17 -0.245 39.907 -9.960 146 HG11 VAL 17 HG11 VAL 17 1.238 40.886 -7.988 147 HG12 VAL 17 HG12 VAL 17 1.174 42.397 -8.823 148 HG13 VAL 17 HG13 VAL 17 1.883 40.947 -9.682 149 HG21 VAL 17 HG21 VAL 17 -1.592 42.307 -8.595 150 HG22 VAL 17 HG22 VAL 17 -1.289 40.765 -7.740 151 HG23 VAL 17 HG23 VAL 17 -2.347 40.871 -9.235 152 H GLU 18 H GLU 18 -1.158 39.337 -11.883 153 HA GLU 18 HA GLU 18 -3.819 40.193 -12.727 154 HB2 GLU 18 HB2 GLU 18 -1.862 38.120 -13.975 155 HB3 GLU 18 HB3 GLU 18 -3.599 38.107 -14.270 156 HG2 GLU 18 HG2 GLU 18 -3.537 40.208 -15.421 157 HG3 GLU 18 HG3 GLU 18 -1.792 40.373 -14.974 158 HA PRO 19 HA PRO 19 -4.323 37.300 -9.506 159 HB2 PRO 19 HB2 PRO 19 -6.990 36.589 -9.498 160 HB3 PRO 19 HB3 PRO 19 -6.539 38.272 -9.446 161 HG2 PRO 19 HG2 PRO 19 -7.140 37.002 -12.211 162 HG3 PRO 19 HG3 PRO 19 -7.885 38.443 -11.381 163 HD2 PRO 19 HD2 PRO 19 -5.769 38.812 -13.045 164 HD3 PRO 19 HD3 PRO 19 -5.937 39.655 -11.455 165 H SER 20 H SER 20 -4.285 36.123 -12.640 166 HA SER 20 HA SER 20 -4.543 33.372 -11.826 167 HB2 SER 20 HB2 SER 20 -4.019 32.833 -14.330 168 HB3 SER 20 HB3 SER 20 -5.443 33.577 -13.820 169 HG SER 20 HG SER 20 -3.263 34.913 -14.806 170 H ASP 21 H ASP 21 -2.064 35.839 -11.927 171 HA ASP 21 HA ASP 21 0.350 34.380 -12.290 172 HB2 ASP 21 HB2 ASP 21 -0.412 36.664 -10.360 173 HB3 ASP 21 HB3 ASP 21 1.219 36.224 -10.802 174 H THR 22 H THR 22 1.576 32.915 -10.963 175 HA THR 22 HA THR 22 0.361 31.935 -8.645 176 HB THR 22 HB THR 22 2.455 30.755 -8.267 177 HG1 THR 22 HG1 THR 22 3.305 31.660 -10.802 178 HG21 THR 22 HG21 THR 22 0.657 29.668 -9.738 179 HG22 THR 22 HG22 THR 22 2.371 29.337 -10.192 180 HG23 THR 22 HG23 THR 22 1.419 30.459 -11.134 181 H ILE 23 H ILE 23 1.623 31.951 -6.393 182 HA ILE 23 HA ILE 23 2.429 34.555 -5.663 183 HB ILE 23 HB ILE 23 2.456 31.987 -4.065 184 HG12 ILE 23 HG12 ILE 23 0.286 32.551 -4.980 185 HG13 ILE 23 HG13 ILE 23 0.292 32.899 -3.232 186 HG21 ILE 23 HG21 ILE 23 2.431 33.637 -2.199 187 HG22 ILE 23 HG22 ILE 23 2.931 34.892 -3.362 188 HG23 ILE 23 HG23 ILE 23 4.002 33.420 -3.086 189 HD11 ILE 23 HD11 ILE 23 0.618 35.491 -4.089 190 HD12 ILE 23 HD12 ILE 23 -0.932 34.551 -4.220 191 HD13 ILE 23 HD13 ILE 23 0.123 34.688 -5.625 192 H GLU 24 H GLU 24 4.316 31.529 -6.216 193 HA GLU 24 HA GLU 24 6.792 32.451 -5.975 194 HB2 GLU 24 HB2 GLU 24 6.231 30.069 -6.431 195 HB3 GLU 24 HB3 GLU 24 5.664 30.626 -7.999 196 HG2 GLU 24 HG2 GLU 24 7.969 31.345 -8.640 197 HG3 GLU 24 HG3 GLU 24 8.551 30.715 -7.047 198 H ASN 25 H ASN 25 4.742 33.146 -9.010 199 HA ASN 25 HA ASN 25 6.815 34.591 -10.366 200 HB2 ASN 25 HB2 ASN 25 4.883 33.453 -11.339 201 HB3 ASN 25 HB3 ASN 25 3.712 34.485 -10.603 202 HD21 ASN 25 HD21 ASN 25 5.807 34.264 -13.275 203 HD22 ASN 25 HD22 ASN 25 5.385 35.779 -13.929 204 H VAL 26 H VAL 26 4.590 35.196 -7.840 205 HA VAL 26 HA VAL 26 4.475 38.046 -8.034 206 HB VAL 26 HB VAL 26 3.335 36.315 -5.920 207 HG11 VAL 26 HG11 VAL 26 2.515 38.379 -4.726 208 HG12 VAL 26 HG12 VAL 26 3.490 39.401 -5.786 209 HG13 VAL 26 HG13 VAL 26 4.257 38.117 -4.728 210 HG21 VAL 26 HG21 VAL 26 2.267 38.429 -7.885 211 HG22 VAL 26 HG22 VAL 26 1.248 37.469 -6.815 212 HG23 VAL 26 HG23 VAL 26 2.107 36.709 -8.130 213 H LYS 27 H LYS 27 6.539 35.808 -6.048 214 HA LYS 27 HA LYS 27 8.003 37.876 -4.783 215 HB2 LYS 27 HB2 LYS 27 8.991 34.969 -5.387 216 HB3 LYS 27 HB3 LYS 27 9.649 36.080 -4.247 217 HG2 LYS 27 HG2 LYS 27 7.628 36.045 -2.866 218 HG3 LYS 27 HG3 LYS 27 6.887 35.014 -4.173 219 HD2 LYS 27 HD2 LYS 27 8.106 33.149 -3.516 220 HD3 LYS 27 HD3 LYS 27 9.366 34.028 -2.622 221 HE2 LYS 27 HE2 LYS 27 7.832 34.821 -0.959 222 HE3 LYS 27 HE3 LYS 27 6.402 33.925 -1.724 223 HZ1 LYS 27 HZ1 LYS 27 7.346 31.998 -1.418 224 HZ2 LYS 27 HZ2 LYS 27 7.840 32.612 0.066 225 HZ3 LYS 27 HZ3 LYS 27 8.952 32.411 -1.233 226 H ALA 28 H ALA 28 8.318 36.406 -7.928 227 HA ALA 28 HA ALA 28 10.860 37.535 -8.505 228 HB1 ALA 28 HB1 ALA 28 10.114 35.649 -9.805 229 HB2 ALA 28 HB2 ALA 28 10.433 36.954 -10.928 230 HB3 ALA 28 HB3 ALA 28 8.788 36.438 -10.540 231 H LYS 29 H LYS 29 7.470 38.736 -9.159 232 HA LYS 29 HA LYS 29 8.073 41.125 -10.324 233 HB2 LYS 29 HB2 LYS 29 5.718 40.102 -8.976 234 HB3 LYS 29 HB3 LYS 29 5.667 41.800 -9.085 235 HG2 LYS 29 HG2 LYS 29 4.529 41.104 -11.071 236 HG3 LYS 29 HG3 LYS 29 6.160 41.474 -11.617 237 HD2 LYS 29 HD2 LYS 29 6.841 39.167 -11.685 238 HD3 LYS 29 HD3 LYS 29 5.334 38.686 -10.975 239 HE2 LYS 29 HE2 LYS 29 5.340 40.056 -13.777 240 HE3 LYS 29 HE3 LYS 29 5.396 38.331 -13.368 241 HZ1 LYS 29 HZ1 LYS 29 3.150 38.563 -13.294 242 HZ2 LYS 29 HZ2 LYS 29 3.275 40.265 -12.942 243 HZ3 LYS 29 HZ3 LYS 29 3.354 39.177 -11.739 244 H ILE 30 H ILE 30 8.126 40.333 -6.923 245 HA ILE 30 HA ILE 30 8.428 43.062 -6.012 246 HB ILE 30 HB ILE 30 8.964 40.377 -4.590 247 HG12 ILE 30 HG12 ILE 30 6.620 42.519 -4.510 248 HG13 ILE 30 HG13 ILE 30 6.661 40.875 -5.180 249 HG21 ILE 30 HG21 ILE 30 8.908 43.260 -3.289 250 HG22 ILE 30 HG22 ILE 30 10.337 42.300 -3.631 251 HG23 ILE 30 HG23 ILE 30 9.155 41.658 -2.551 252 HD11 ILE 30 HD11 ILE 30 6.758 39.812 -3.130 253 HD12 ILE 30 HD12 ILE 30 5.410 41.140 -3.087 254 HD13 ILE 30 HD13 ILE 30 7.029 41.199 -2.189 255 H GLN 31 H GLN 31 10.755 40.511 -6.999 256 HA GLN 31 HA GLN 31 13.160 41.946 -6.517 257 HB2 GLN 31 HB2 GLN 31 13.240 39.684 -6.867 258 HB3 GLN 31 HB3 GLN 31 12.633 39.808 -8.574 259 HG2 GLN 31 HG2 GLN 31 14.707 40.472 -9.453 260 HG3 GLN 31 HG3 GLN 31 15.185 41.338 -7.986 261 HE21 GLN 31 HE21 GLN 31 16.740 40.024 -6.515 262 HE22 GLN 31 HE22 GLN 31 17.325 38.590 -7.266 263 H ASP 32 H ASP 32 11.146 41.886 -9.572 264 HA ASP 32 HA ASP 32 12.458 43.845 -10.921 265 HB2 ASP 32 HB2 ASP 32 9.439 43.439 -10.691 266 HB3 ASP 32 HB3 ASP 32 10.196 44.645 -11.781 267 H LYS 33 H LYS 33 9.917 44.295 -8.328 268 HA LYS 33 HA LYS 33 10.259 47.141 -8.780 269 HB2 LYS 33 HB2 LYS 33 8.176 45.476 -7.385 270 HB3 LYS 33 HB3 LYS 33 8.381 47.166 -6.909 271 HG2 LYS 33 HG2 LYS 33 7.855 46.404 -9.787 272 HG3 LYS 33 HG3 LYS 33 6.646 46.620 -8.463 273 HD2 LYS 33 HD2 LYS 33 7.625 48.887 -7.955 274 HD3 LYS 33 HD3 LYS 33 8.644 48.618 -9.335 275 HE2 LYS 33 HE2 LYS 33 6.805 50.026 -10.057 276 HE3 LYS 33 HE3 LYS 33 6.384 48.535 -10.803 277 HZ1 LYS 33 HZ1 LYS 33 4.733 49.982 -9.617 278 HZ2 LYS 33 HZ2 LYS 33 5.336 49.426 -8.139 279 HZ3 LYS 33 HZ3 LYS 33 4.675 48.333 -9.302 280 H GLU 34 H GLU 34 11.200 45.013 -6.053 281 HA GLU 34 HA GLU 34 12.374 47.410 -4.979 282 HB2 GLU 34 HB2 GLU 34 10.689 45.242 -3.706 283 HB3 GLU 34 HB3 GLU 34 11.943 46.036 -2.672 284 HG2 GLU 34 HG2 GLU 34 9.532 47.169 -4.075 285 HG3 GLU 34 HG3 GLU 34 9.846 47.198 -2.393 286 H GLY 35 H GLY 35 13.471 45.017 -6.528 287 HA2 GLY 35 HA2 GLY 35 15.433 43.920 -6.793 288 HA3 GLY 35 HA3 GLY 35 16.124 45.133 -5.656 289 H ILE 36 H ILE 36 13.616 42.799 -4.449 290 HA ILE 36 HA ILE 36 15.584 41.965 -2.641 291 HB ILE 36 HB ILE 36 12.598 41.484 -2.674 292 HG12 ILE 36 HG12 ILE 36 14.370 43.340 -1.002 293 HG13 ILE 36 HG13 ILE 36 13.477 43.940 -2.397 294 HG21 ILE 36 HG21 ILE 36 13.089 40.861 -0.219 295 HG22 ILE 36 HG22 ILE 36 14.842 40.796 -0.738 296 HG23 ILE 36 HG23 ILE 36 13.686 39.689 -1.338 297 HD11 ILE 36 HD11 ILE 36 11.998 44.443 -0.694 298 HD12 ILE 36 HD12 ILE 36 11.952 42.840 0.093 299 HD13 ILE 36 HD13 ILE 36 11.313 43.175 -1.554 300 HA PRO 37 HA PRO 37 16.223 38.009 -4.683 301 HB2 PRO 37 HB2 PRO 37 17.346 36.630 -2.481 302 HB3 PRO 37 HB3 PRO 37 18.096 37.785 -3.720 303 HG2 PRO 37 HG2 PRO 37 16.666 38.418 -1.118 304 HG3 PRO 37 HG3 PRO 37 18.437 38.576 -1.306 305 HD2 PRO 37 HD2 PRO 37 16.826 40.720 -1.841 306 HD3 PRO 37 HD3 PRO 37 17.941 40.239 -3.199 307 HA PRO 38 HA PRO 38 12.248 36.364 -3.512 308 HB2 PRO 38 HB2 PRO 38 13.028 34.021 -5.447 309 HB3 PRO 38 HB3 PRO 38 11.477 34.825 -5.447 310 HG2 PRO 38 HG2 PRO 38 13.265 35.701 -7.258 311 HG3 PRO 38 HG3 PRO 38 12.317 36.977 -6.308 312 HD2 PRO 38 HD2 PRO 38 15.225 36.172 -6.069 313 HD3 PRO 38 HD3 PRO 38 14.282 37.722 -5.894 314 H ASP 39 H ASP 39 14.728 33.690 -3.604 315 HA ASP 39 HA ASP 39 13.881 32.052 -1.746 316 HB2 ASP 39 HB2 ASP 39 16.856 33.143 -1.658 317 HB3 ASP 39 HB3 ASP 39 16.121 31.850 -0.770 318 H GLN 40 H GLN 40 14.782 35.457 -0.769 319 HA GLN 40 HA GLN 40 14.822 34.638 1.971 320 HB2 GLN 40 HB2 GLN 40 14.724 37.500 0.669 321 HB3 GLN 40 HB3 GLN 40 14.905 37.258 2.367 322 HG2 GLN 40 HG2 GLN 40 16.796 36.593 0.062 323 HG3 GLN 40 HG3 GLN 40 17.095 37.700 1.368 324 HE21 GLN 40 HE21 GLN 40 16.533 36.334 3.501 325 HE22 GLN 40 HE22 GLN 40 17.629 34.948 3.756 326 H GLN 41 H GLN 41 12.066 35.160 -0.193 327 HA GLN 41 HA GLN 41 10.839 37.001 1.355 328 HB2 GLN 41 HB2 GLN 41 10.213 35.919 -1.385 329 HB3 GLN 41 HB3 GLN 41 9.160 37.089 -0.546 330 HG2 GLN 41 HG2 GLN 41 11.066 38.744 -0.356 331 HG3 GLN 41 HG3 GLN 41 12.027 37.648 -1.389 332 HE21 GLN 41 HE21 GLN 41 12.282 38.869 -3.320 333 HE22 GLN 41 HE22 GLN 41 10.903 39.593 -4.099 334 H ARG 42 H ARG 42 9.349 36.476 3.024 335 HA ARG 42 HA ARG 42 7.541 34.075 2.734 336 HB2 ARG 42 HB2 ARG 42 7.950 35.835 5.235 337 HB3 ARG 42 HB3 ARG 42 7.107 34.271 5.075 338 HG2 ARG 42 HG2 ARG 42 9.290 33.225 4.498 339 HG3 ARG 42 HG3 ARG 42 10.092 34.738 4.628 340 HD2 ARG 42 HD2 ARG 42 10.607 33.882 6.830 341 HD3 ARG 42 HD3 ARG 42 9.172 34.901 7.109 342 HE ARG 42 HE ARG 42 9.180 31.961 6.408 343 HH11 ARG 42 HH11 ARG 42 8.188 34.240 8.672 344 HH12 ARG 42 HH12 ARG 42 7.524 33.084 9.715 345 HH21 ARG 42 HH21 ARG 42 8.256 30.556 7.607 346 HH22 ARG 42 HH22 ARG 42 7.128 31.042 8.894 347 H LEU 43 H LEU 43 5.803 34.774 1.666 348 HA LEU 43 HA LEU 43 4.781 37.468 2.297 349 HB2 LEU 43 HB2 LEU 43 4.317 35.343 0.175 350 HB3 LEU 43 HB3 LEU 43 3.056 36.655 0.332 351 HG LEU 43 HG LEU 43 5.953 37.034 -0.204 352 HD11 LEU 43 HD11 LEU 43 3.463 37.493 -2.002 353 HD12 LEU 43 HD12 LEU 43 4.581 36.175 -2.346 354 HD13 LEU 43 HD13 LEU 43 5.117 37.879 -2.618 355 HD21 LEU 43 HD21 LEU 43 4.991 39.134 0.890 356 HD22 LEU 43 HD22 LEU 43 3.672 39.159 -0.244 357 HD23 LEU 43 HD23 LEU 43 5.362 39.566 -0.668 358 H ILE 44 H ILE 44 3.281 37.889 3.673 359 HA ILE 44 HA ILE 44 1.822 35.659 4.806 360 HB ILE 44 HB ILE 44 2.654 38.131 6.231 361 HG12 ILE 44 HG12 ILE 44 4.802 37.106 6.271 362 HG13 ILE 44 HG13 ILE 44 3.984 36.603 7.745 363 HG21 ILE 44 HG21 ILE 44 0.767 37.477 7.146 364 HG22 ILE 44 HG22 ILE 44 1.984 36.583 8.245 365 HG23 ILE 44 HG23 ILE 44 1.005 35.652 7.100 366 HD11 ILE 44 HD11 ILE 44 4.877 34.427 6.940 367 HD12 ILE 44 HD12 ILE 44 4.443 34.940 5.232 368 HD13 ILE 44 HD13 ILE 44 3.202 34.481 6.338 369 H PHE 45 H PHE 45 -0.393 35.746 4.292 370 HA PHE 45 HA PHE 45 -1.555 38.333 3.998 371 HB2 PHE 45 HB2 PHE 45 -1.479 37.111 1.808 372 HB3 PHE 45 HB3 PHE 45 -2.216 35.667 2.523 373 HD1 PHE 45 HD1 PHE 45 -4.456 35.266 2.013 374 HD2 PHE 45 HD2 PHE 45 -3.042 39.390 2.234 375 HE1 PHE 45 HE1 PHE 45 -6.660 36.083 1.369 376 HE2 PHE 45 HE2 PHE 45 -5.214 40.067 1.531 377 HZ PHE 45 HZ PHE 45 -7.065 38.460 1.139 378 H ALA 46 H ALA 46 -3.267 38.599 5.490 379 HA ALA 46 HA ALA 46 -4.698 38.282 6.916 380 HB1 ALA 46 HB1 ALA 46 -5.715 37.172 5.079 381 HB2 ALA 46 HB2 ALA 46 -6.338 36.637 6.614 382 HB3 ALA 46 HB3 ALA 46 -5.161 35.596 5.637 383 H GLY 47 H GLY 47 -2.001 37.673 7.885 384 HA2 GLY 47 HA2 GLY 47 -1.104 36.783 9.898 385 HA3 GLY 47 HA3 GLY 47 -2.674 35.995 10.223 386 H LYS 48 H LYS 48 -1.330 35.210 7.221 387 HA LYS 48 HA LYS 48 0.119 32.836 8.146 388 HB2 LYS 48 HB2 LYS 48 -1.248 31.248 7.296 389 HB3 LYS 48 HB3 LYS 48 -2.003 32.234 8.641 390 HG2 LYS 48 HG2 LYS 48 -3.982 32.033 7.234 391 HG3 LYS 48 HG3 LYS 48 -3.239 33.531 6.756 392 HD2 LYS 48 HD2 LYS 48 -2.084 32.453 4.659 393 HD3 LYS 48 HD3 LYS 48 -2.982 31.028 5.235 394 HE2 LYS 48 HE2 LYS 48 -4.062 33.769 4.297 395 HE3 LYS 48 HE3 LYS 48 -4.068 32.196 3.400 396 HZ1 LYS 48 HZ1 LYS 48 -6.181 32.534 4.332 397 HZ2 LYS 48 HZ2 LYS 48 -5.611 32.990 5.809 398 HZ3 LYS 48 HZ3 LYS 48 -5.547 31.385 5.323 399 H GLN 49 H GLN 49 1.570 31.969 6.713 400 HA GLN 49 HA GLN 49 2.404 33.360 4.458 401 HB2 GLN 49 HB2 GLN 49 3.775 32.063 6.012 402 HB3 GLN 49 HB3 GLN 49 2.986 30.536 5.250 403 HG2 GLN 49 HG2 GLN 49 4.240 30.848 3.282 404 HG3 GLN 49 HG3 GLN 49 4.484 32.636 3.632 405 HE21 GLN 49 HE21 GLN 49 5.153 30.042 6.003 406 HE22 GLN 49 HE22 GLN 49 6.858 30.129 5.696 407 H LEU 50 H LEU 50 2.266 32.648 2.309 408 HA LEU 50 HA LEU 50 -0.160 31.071 1.428 409 HB2 LEU 50 HB2 LEU 50 1.783 32.959 0.144 410 HB3 LEU 50 HB3 LEU 50 0.455 32.307 -0.905 411 HG LEU 50 HG LEU 50 0.316 34.155 1.542 412 HD11 LEU 50 HD11 LEU 50 -0.492 34.767 -1.312 413 HD12 LEU 50 HD12 LEU 50 1.072 35.211 -0.732 414 HD13 LEU 50 HD13 LEU 50 -0.357 35.879 0.009 415 HD21 LEU 50 HD21 LEU 50 -1.889 33.126 -0.439 416 HD22 LEU 50 HD22 LEU 50 -2.248 34.204 0.795 417 HD23 LEU 50 HD23 LEU 50 -1.743 32.522 1.244 418 H GLU 51 H GLU 51 -0.025 29.212 0.258 419 HA GLU 51 HA GLU 51 2.559 28.002 -0.063 420 HB2 GLU 51 HB2 GLU 51 -0.255 27.451 -0.931 421 HB3 GLU 51 HB3 GLU 51 1.113 26.300 -1.399 422 HG2 GLU 51 HG2 GLU 51 1.649 25.555 0.583 423 HG3 GLU 51 HG3 GLU 51 0.460 26.501 1.569 424 H ASP 52 H ASP 52 4.083 28.236 -1.637 425 HA ASP 52 HA ASP 52 3.821 30.538 -3.094 426 HB2 ASP 52 HB2 ASP 52 5.813 28.308 -2.801 427 HB3 ASP 52 HB3 ASP 52 6.001 29.378 -4.264 428 H GLY 53 H GLY 53 3.700 27.278 -4.449 429 HA2 GLY 53 HA2 GLY 53 3.413 27.805 -7.215 430 HA3 GLY 53 HA3 GLY 53 3.039 26.405 -6.329 431 H ARG 54 H ARG 54 1.040 28.643 -4.930 432 HA ARG 54 HA ARG 54 -1.113 27.793 -6.712 433 HB2 ARG 54 HB2 ARG 54 -1.171 29.063 -3.904 434 HB3 ARG 54 HB3 ARG 54 -2.551 28.395 -4.748 435 HG2 ARG 54 HG2 ARG 54 -0.211 27.139 -3.442 436 HG3 ARG 54 HG3 ARG 54 -1.858 27.125 -2.890 437 HD2 ARG 54 HD2 ARG 54 -2.463 25.556 -4.819 438 HD3 ARG 54 HD3 ARG 54 -0.721 25.577 -5.298 439 HE ARG 54 HE ARG 54 -0.800 24.715 -2.520 440 HH11 ARG 54 HH11 ARG 54 -1.815 23.510 -5.618 441 HH12 ARG 54 HH12 ARG 54 -1.887 21.923 -4.946 442 HH21 ARG 54 HH21 ARG 54 -1.095 22.612 -1.744 443 HH22 ARG 54 HH22 ARG 54 -1.520 21.512 -2.971 444 H THR 55 H THR 55 -2.761 29.707 -6.905 445 HA THR 55 HA THR 55 -1.408 32.191 -7.712 446 HB THR 55 HB THR 55 -3.236 32.645 -9.129 447 HG1 THR 55 HG1 THR 55 -4.328 30.219 -8.236 448 HG21 THR 55 HG21 THR 55 -2.679 29.663 -9.407 449 HG22 THR 55 HG22 THR 55 -1.461 30.962 -9.930 450 HG23 THR 55 HG23 THR 55 -3.127 30.781 -10.639 451 H LEU 56 H LEU 56 -2.503 34.205 -7.482 452 HA LEU 56 HA LEU 56 -3.543 34.942 -4.944 453 HB2 LEU 56 HB2 LEU 56 -3.793 36.131 -7.785 454 HB3 LEU 56 HB3 LEU 56 -4.205 36.996 -6.280 455 HG LEU 56 HG LEU 56 -1.414 36.014 -6.723 456 HD11 LEU 56 HD11 LEU 56 -0.869 38.277 -7.715 457 HD12 LEU 56 HD12 LEU 56 -2.624 38.771 -7.537 458 HD13 LEU 56 HD13 LEU 56 -2.191 37.406 -8.522 459 HD21 LEU 56 HD21 LEU 56 -2.329 36.648 -4.409 460 HD22 LEU 56 HD22 LEU 56 -2.423 38.357 -4.963 461 HD23 LEU 56 HD23 LEU 56 -0.850 37.392 -4.966 462 H SER 57 H SER 57 -5.268 33.965 -7.910 463 HA SER 57 HA SER 57 -7.911 34.437 -6.912 464 HB2 SER 57 HB2 SER 57 -7.688 34.345 -9.331 465 HB3 SER 57 HB3 SER 57 -6.766 32.776 -9.148 466 HG SER 57 HG SER 57 -8.767 31.805 -8.747 467 H ASP 58 H ASP 58 -5.792 31.640 -6.483 468 HA ASP 58 HA ASP 58 -7.905 29.956 -5.546 469 HB2 ASP 58 HB2 ASP 58 -4.905 30.099 -5.026 470 HB3 ASP 58 HB3 ASP 58 -5.827 28.810 -4.471 471 H TYR 59 H TYR 59 -5.944 32.446 -3.790 472 HA TYR 59 HA TYR 59 -7.539 31.956 -1.307 473 HB2 TYR 59 HB2 TYR 59 -5.242 33.659 -2.119 474 HB3 TYR 59 HB3 TYR 59 -5.871 33.750 -0.468 475 HD1 TYR 59 HD1 TYR 59 -3.823 31.753 -2.783 476 HD2 TYR 59 HD2 TYR 59 -5.530 31.986 1.097 477 HE1 TYR 59 HE1 TYR 59 -2.302 30.095 -2.065 478 HE2 TYR 59 HE2 TYR 59 -3.992 30.197 1.829 479 HH TYR 59 HH TYR 59 -2.024 28.947 1.242 480 H ASN 60 H ASN 60 -8.314 33.345 -4.144 481 HA ASN 60 HA ASN 60 -9.870 34.855 -4.734 482 HB2 ASN 60 HB2 ASN 60 -10.851 34.988 -1.854 483 HB3 ASN 60 HB3 ASN 60 -11.593 35.466 -3.408 484 HD21 ASN 60 HD21 ASN 60 -11.567 33.830 -5.097 485 HD22 ASN 60 HD22 ASN 60 -11.950 32.181 -4.709 486 H ILE 61 H ILE 61 -7.285 35.896 -4.289 487 HA ILE 61 HA ILE 61 -7.448 38.403 -2.786 488 HB ILE 61 HB ILE 61 -5.043 37.305 -4.323 489 HG12 ILE 61 HG12 ILE 61 -5.623 37.388 -1.291 490 HG13 ILE 61 HG13 ILE 61 -5.958 36.042 -2.257 491 HG21 ILE 61 HG21 ILE 61 -5.012 39.770 -4.182 492 HG22 ILE 61 HG22 ILE 61 -3.862 38.928 -3.069 493 HG23 ILE 61 HG23 ILE 61 -5.255 39.742 -2.402 494 HD11 ILE 61 HD11 ILE 61 -3.636 35.995 -1.047 495 HD12 ILE 61 HD12 ILE 61 -3.100 37.259 -2.049 496 HD13 ILE 61 HD13 ILE 61 -3.530 35.727 -2.830 497 H GLN 62 H GLN 62 -8.590 39.902 -3.752 498 HA GLN 62 HA GLN 62 -8.048 40.584 -6.542 499 HB2 GLN 62 HB2 GLN 62 -10.640 41.069 -4.997 500 HB3 GLN 62 HB3 GLN 62 -10.288 41.566 -6.714 501 HG2 GLN 62 HG2 GLN 62 -10.801 38.723 -5.593 502 HG3 GLN 62 HG3 GLN 62 -11.845 39.663 -6.734 503 HE21 GLN 62 HE21 GLN 62 -10.537 36.902 -6.915 504 HE22 GLN 62 HE22 GLN 62 -9.501 36.995 -8.297 505 H LYS 63 H LYS 63 -8.421 42.787 -7.131 506 HA LYS 63 HA LYS 63 -6.533 44.387 -6.529 507 HB2 LYS 63 HB2 LYS 63 -7.747 46.511 -6.947 508 HB3 LYS 63 HB3 LYS 63 -7.766 45.244 -8.232 509 HG2 LYS 63 HG2 LYS 63 -10.231 44.765 -7.908 510 HG3 LYS 63 HG3 LYS 63 -10.174 45.586 -6.403 511 HD2 LYS 63 HD2 LYS 63 -9.834 47.741 -7.470 512 HD3 LYS 63 HD3 LYS 63 -9.313 46.980 -8.986 513 HE2 LYS 63 HE2 LYS 63 -11.867 46.314 -9.306 514 HE3 LYS 63 HE3 LYS 63 -12.148 47.192 -7.809 515 HZ1 LYS 63 HZ1 LYS 63 -11.917 49.195 -8.753 516 HZ2 LYS 63 HZ2 LYS 63 -12.460 48.422 -10.062 517 HZ3 LYS 63 HZ3 LYS 63 -10.758 48.687 -9.883 518 H GLU 64 H GLU 64 -5.873 45.829 -5.349 519 HA GLU 64 HA GLU 64 -5.434 47.203 -3.745 520 HB2 GLU 64 HB2 GLU 64 -8.394 47.422 -3.295 521 HB3 GLU 64 HB3 GLU 64 -7.130 48.489 -2.706 522 HG2 GLU 64 HG2 GLU 64 -6.325 48.969 -5.082 523 HG3 GLU 64 HG3 GLU 64 -7.720 47.995 -5.662 524 H SER 65 H SER 65 -6.035 44.337 -3.047 525 HA SER 65 HA SER 65 -6.224 44.120 -0.168 526 HB2 SER 65 HB2 SER 65 -4.884 42.254 -2.130 527 HB3 SER 65 HB3 SER 65 -4.909 41.925 -0.379 528 HG SER 65 HG SER 65 -6.919 42.067 -2.276 529 H THR 66 H THR 66 -4.447 43.815 1.384 530 HA THR 66 HA THR 66 -1.787 44.872 0.545 531 HB THR 66 HB THR 66 -3.197 45.149 3.278 532 HG1 THR 66 HG1 THR 66 -3.916 46.710 1.834 533 HG21 THR 66 HG21 THR 66 -0.380 45.766 2.186 534 HG22 THR 66 HG22 THR 66 -0.689 44.833 3.668 535 HG23 THR 66 HG23 THR 66 -1.058 46.486 3.726 536 H LEU 67 H LEU 67 -0.513 43.121 0.268 537 HA LEU 67 HA LEU 67 -0.781 41.053 2.228 538 HB2 LEU 67 HB2 LEU 67 1.051 41.057 -0.209 539 HB3 LEU 67 HB3 LEU 67 1.059 39.836 1.061 540 HG LEU 67 HG LEU 67 -1.094 39.007 0.897 541 HD11 LEU 67 HD11 LEU 67 -2.495 40.929 0.104 542 HD12 LEU 67 HD12 LEU 67 -2.643 39.683 -1.137 543 HD13 LEU 67 HD13 LEU 67 -1.535 41.103 -1.382 544 HD21 LEU 67 HD21 LEU 67 0.613 38.118 -0.464 545 HD22 LEU 67 HD22 LEU 67 0.307 39.257 -1.806 546 HD23 LEU 67 HD23 LEU 67 -0.943 37.954 -1.355 547 H HIS 68 H HIS 68 1.244 40.354 3.424 548 HA HIS 68 HA HIS 68 3.067 42.585 4.057 549 HB2 HIS 68 HB2 HIS 68 2.205 40.285 5.803 550 HB3 HIS 68 HB3 HIS 68 3.634 41.250 6.170 551 HD1 HIS 68 HD1 HIS 68 -0.045 42.178 5.425 552 HD2 HIS 68 HD2 HIS 68 3.050 43.335 8.049 553 HE1 HIS 68 HE1 HIS 68 -0.746 44.226 6.643 554 H LEU 69 H LEU 69 5.129 42.383 3.389 555 HA LEU 69 HA LEU 69 6.022 39.716 2.570 556 HB2 LEU 69 HB2 LEU 69 6.484 41.348 0.865 557 HB3 LEU 69 HB3 LEU 69 7.029 42.428 2.117 558 HG LEU 69 HG LEU 69 9.070 40.811 2.472 559 HD11 LEU 69 HD11 LEU 69 9.378 38.916 0.835 560 HD12 LEU 69 HD12 LEU 69 7.776 39.207 0.104 561 HD13 LEU 69 HD13 LEU 69 7.973 38.665 1.810 562 HD21 LEU 69 HD21 LEU 69 10.210 41.591 0.681 563 HD22 LEU 69 HD22 LEU 69 8.845 42.652 0.857 564 HD23 LEU 69 HD23 LEU 69 8.866 41.513 -0.537 565 H VAL 70 H VAL 70 6.835 38.766 4.423 566 HA VAL 70 HA VAL 70 8.358 40.196 6.337 567 HB VAL 70 HB VAL 70 6.872 37.574 6.326 568 HG11 VAL 70 HG11 VAL 70 9.015 37.169 7.665 569 HG12 VAL 70 HG12 VAL 70 7.584 37.358 8.706 570 HG13 VAL 70 HG13 VAL 70 8.744 38.662 8.570 571 HG21 VAL 70 HG21 VAL 70 5.771 38.948 8.398 572 HG22 VAL 70 HG22 VAL 70 5.375 39.464 6.780 573 HG23 VAL 70 HG23 VAL 70 6.692 40.276 7.654 574 H LEU 71 H LEU 71 10.623 39.570 6.413 575 HA LEU 71 HA LEU 71 11.720 37.869 4.404 576 HB2 LEU 71 HB2 LEU 71 13.165 39.915 5.926 577 HB3 LEU 71 HB3 LEU 71 13.638 38.871 4.499 578 HG LEU 71 HG LEU 71 11.554 41.072 4.648 579 HD11 LEU 71 HD11 LEU 71 13.003 42.685 3.585 580 HD12 LEU 71 HD12 LEU 71 14.270 41.321 3.407 581 HD13 LEU 71 HD13 LEU 71 13.835 41.916 4.934 582 HD21 LEU 71 HD21 LEU 71 10.938 39.539 2.823 583 HD22 LEU 71 HD22 LEU 71 12.680 39.359 2.348 584 HD23 LEU 71 HD23 LEU 71 11.922 40.814 1.968 585 H ARG 72 H ARG 72 12.899 36.211 4.539 586 HA ARG 72 HA ARG 72 13.029 34.703 6.823 587 HB2 ARG 72 HB2 ARG 72 14.273 34.460 4.097 588 HB3 ARG 72 HB3 ARG 72 14.766 33.280 5.375 589 HG2 ARG 72 HG2 ARG 72 12.239 32.914 5.744 590 HG3 ARG 72 HG3 ARG 72 11.968 33.938 4.342 591 HD2 ARG 72 HD2 ARG 72 13.352 32.456 2.941 592 HD3 ARG 72 HD3 ARG 72 13.739 31.425 4.339 593 HE ARG 72 HE ARG 72 11.274 30.896 4.529 594 HH11 ARG 72 HH11 ARG 72 12.223 32.009 1.229 595 HH12 ARG 72 HH12 ARG 72 10.674 31.618 0.697 596 HH21 ARG 72 HH21 ARG 72 9.430 30.612 3.637 597 HH22 ARG 72 HH22 ARG 72 9.259 30.702 1.868 598 H LEU 73 H LEU 73 14.297 34.713 8.486 599 HA LEU 73 HA LEU 73 17.208 35.032 8.483 600 HB2 LEU 73 HB2 LEU 73 15.086 34.537 10.738 601 HB3 LEU 73 HB3 LEU 73 16.802 35.089 11.013 602 HG LEU 73 HG LEU 73 14.836 36.819 9.640 603 HD11 LEU 73 HD11 LEU 73 14.019 36.323 11.912 604 HD12 LEU 73 HD12 LEU 73 14.479 38.033 11.757 605 HD13 LEU 73 HD13 LEU 73 15.522 36.907 12.723 606 HD21 LEU 73 HD21 LEU 73 16.545 38.606 10.129 607 HD22 LEU 73 HD22 LEU 73 17.208 37.233 9.147 608 HD23 LEU 73 HD23 LEU 73 17.472 37.345 10.882 609 H ARG 74 H ARG 74 14.533 32.846 8.595 610 HA ARG 74 HA ARG 74 16.362 30.531 8.675 611 HB2 ARG 74 HB2 ARG 74 13.655 30.357 10.033 612 HB3 ARG 74 HB3 ARG 74 14.874 29.143 10.014 613 HG2 ARG 74 HG2 ARG 74 15.241 31.829 11.516 614 HG3 ARG 74 HG3 ARG 74 14.502 30.364 12.111 615 HD2 ARG 74 HD2 ARG 74 16.871 29.114 11.949 616 HD3 ARG 74 HD3 ARG 74 17.388 30.458 11.029 617 HE ARG 74 HE ARG 74 17.297 30.270 13.845 618 HH11 ARG 74 HH11 ARG 74 17.710 32.681 11.201 619 HH12 ARG 74 HH12 ARG 74 18.522 33.693 12.380 620 HH21 ARG 74 HH21 ARG 74 18.396 31.576 14.941 621 HH22 ARG 74 HH22 ARG 74 19.022 33.067 14.308 622 H GLY 75 H GLY 75 15.593 28.675 7.260 623 HA2 GLY 75 HA2 GLY 75 14.144 28.858 5.040 624 HA3 GLY 75 HA3 GLY 75 14.343 27.359 6.064 625 H GLY 76 H GLY 76 12.096 28.453 4.299 626 HA2 GLY 76 HA2 GLY 76 9.968 28.233 4.194 627 HA3 GLY 76 HA3 GLY 76 10.181 27.157 5.662 Start of MODEL 11 1 H MET 1 HT1 MET 1 -4.009 45.564 -12.627 2 HA MET 1 HA MET 1 -5.925 46.082 -11.318 3 HB2 MET 1 HB2 MET 1 -7.090 44.645 -10.248 4 HB3 MET 1 HB3 MET 1 -6.962 43.596 -11.556 5 HG2 MET 1 HG2 MET 1 -4.957 42.615 -9.894 6 HG3 MET 1 HG3 MET 1 -5.853 43.522 -8.675 7 HE1 MET 1 HE1 MET 1 -5.736 41.755 -7.557 8 HE2 MET 1 HE2 MET 1 -5.202 40.521 -8.786 9 HE3 MET 1 HE3 MET 1 -6.434 40.117 -7.548 10 H GLN 2 H GLN 2 -5.689 46.679 -8.964 11 HA GLN 2 HA GLN 2 -2.869 46.554 -8.410 12 HB2 GLN 2 HB2 GLN 2 -5.060 47.948 -6.916 13 HB3 GLN 2 HB3 GLN 2 -3.382 48.189 -6.561 14 HG2 GLN 2 HG2 GLN 2 -4.757 48.916 -9.286 15 HG3 GLN 2 HG3 GLN 2 -4.241 50.042 -8.028 16 HE21 GLN 2 HE21 GLN 2 -2.775 47.479 -10.400 17 HE22 GLN 2 HE22 GLN 2 -1.514 48.554 -10.727 18 H ILE 3 H ILE 3 -1.877 45.691 -6.608 19 HA ILE 3 HA ILE 3 -3.433 44.769 -4.175 20 HB ILE 3 HB ILE 3 -2.138 42.950 -3.676 21 HG12 ILE 3 HG12 ILE 3 -0.686 43.277 -6.375 22 HG13 ILE 3 HG13 ILE 3 -0.066 43.654 -4.719 23 HG21 ILE 3 HG21 ILE 3 -2.993 42.781 -6.615 24 HG22 ILE 3 HG22 ILE 3 -4.194 42.820 -5.387 25 HG23 ILE 3 HG23 ILE 3 -2.939 41.416 -5.444 26 HD11 ILE 3 HD11 ILE 3 0.752 41.522 -5.658 27 HD12 ILE 3 HD12 ILE 3 -0.855 40.837 -5.308 28 HD13 ILE 3 HD13 ILE 3 0.145 41.557 -3.982 29 H PHE 4 H PHE 4 -2.106 44.975 -2.275 30 HA PHE 4 HA PHE 4 0.234 46.704 -2.762 31 HB2 PHE 4 HB2 PHE 4 -1.638 46.694 -0.365 32 HB3 PHE 4 HB3 PHE 4 -0.285 47.809 -0.531 33 HD1 PHE 4 HD1 PHE 4 -3.475 48.140 -0.359 34 HD2 PHE 4 HD2 PHE 4 -0.580 48.649 -3.501 35 HE1 PHE 4 HE1 PHE 4 -5.154 49.250 -1.721 36 HE2 PHE 4 HE2 PHE 4 -2.276 49.945 -4.866 37 HZ PHE 4 HZ PHE 4 -4.551 50.221 -3.867 38 H VAL 5 H VAL 5 2.210 45.983 -1.995 39 HA VAL 5 HA VAL 5 2.202 43.674 -0.053 40 HB VAL 5 HB VAL 5 4.038 44.395 -2.300 41 HG11 VAL 5 HG11 VAL 5 4.232 42.301 -0.086 42 HG12 VAL 5 HG12 VAL 5 5.333 43.758 -0.272 43 HG13 VAL 5 HG13 VAL 5 5.275 42.338 -1.495 44 HG21 VAL 5 HG21 VAL 5 1.920 43.008 -2.939 45 HG22 VAL 5 HG22 VAL 5 2.238 42.087 -1.482 46 HG23 VAL 5 HG23 VAL 5 3.360 41.899 -2.830 47 H LYS 6 H LYS 6 2.975 44.348 2.056 48 HA LYS 6 HA LYS 6 4.428 46.882 2.233 49 HB2 LYS 6 HB2 LYS 6 2.222 47.097 3.200 50 HB3 LYS 6 HB3 LYS 6 2.346 45.580 4.022 51 HG2 LYS 6 HG2 LYS 6 3.870 46.235 5.597 52 HG3 LYS 6 HG3 LYS 6 4.127 47.846 4.864 53 HD2 LYS 6 HD2 LYS 6 1.396 47.821 5.313 54 HD3 LYS 6 HD3 LYS 6 1.952 46.597 6.451 55 HE2 LYS 6 HE2 LYS 6 3.558 48.334 7.423 56 HE3 LYS 6 HE3 LYS 6 2.924 49.667 6.404 57 HZ1 LYS 6 HZ1 LYS 6 0.829 48.299 7.627 58 HZ2 LYS 6 HZ2 LYS 6 1.305 49.848 8.051 59 HZ3 LYS 6 HZ3 LYS 6 1.966 48.453 8.861 60 H THR 7 H THR 7 6.457 46.722 2.888 61 HA THR 7 HA THR 7 7.521 44.267 3.531 62 HB THR 7 HB THR 7 9.636 45.174 3.572 63 HG1 THR 7 HG1 THR 7 9.980 47.362 4.014 64 HG21 THR 7 HG21 THR 7 7.964 46.852 1.572 65 HG22 THR 7 HG22 THR 7 8.496 45.157 1.459 66 HG23 THR 7 HG23 THR 7 9.694 46.445 1.455 67 H LEU 8 H LEU 8 8.830 43.662 5.594 68 HA LEU 8 HA LEU 8 7.403 43.809 7.836 69 HB2 LEU 8 HB2 LEU 8 9.127 42.123 7.202 70 HB3 LEU 8 HB3 LEU 8 10.389 43.347 7.472 71 HG LEU 8 HG LEU 8 9.108 43.443 9.945 72 HD11 LEU 8 HD11 LEU 8 8.859 40.498 9.223 73 HD12 LEU 8 HD12 LEU 8 7.470 41.622 9.026 74 HD13 LEU 8 HD13 LEU 8 8.179 41.352 10.664 75 HD21 LEU 8 HD21 LEU 8 11.126 41.327 9.257 76 HD22 LEU 8 HD22 LEU 8 10.961 42.163 10.844 77 HD23 LEU 8 HD23 LEU 8 11.561 43.045 9.540 78 H THR 9 H THR 9 10.094 45.931 6.869 79 HA THR 9 HA THR 9 9.794 47.557 9.228 80 HB THR 9 HB THR 9 11.319 49.244 8.077 81 HG1 THR 9 HG1 THR 9 10.953 48.586 5.992 82 HG21 THR 9 HG21 THR 9 12.231 46.283 8.402 83 HG22 THR 9 HG22 THR 9 12.220 47.429 9.705 84 HG23 THR 9 HG23 THR 9 13.245 47.705 8.198 85 H GLY 10 H GLY 10 8.213 47.639 6.141 86 HA2 GLY 10 HA2 GLY 10 6.199 48.526 6.582 87 HA3 GLY 10 HA3 GLY 10 6.812 49.981 7.227 88 H LYS 11 H LYS 11 8.453 49.332 4.440 89 HA LYS 11 HA LYS 11 7.451 51.529 3.043 90 HB2 LYS 11 HB2 LYS 11 9.783 50.939 2.642 91 HB3 LYS 11 HB3 LYS 11 9.226 49.324 2.226 92 HG2 LYS 11 HG2 LYS 11 8.454 50.235 -0.019 93 HG3 LYS 11 HG3 LYS 11 8.560 51.894 0.641 94 HD2 LYS 11 HD2 LYS 11 11.163 51.444 0.541 95 HD3 LYS 11 HD3 LYS 11 10.767 49.770 -0.072 96 HE2 LYS 11 HE2 LYS 11 9.612 51.075 -1.983 97 HE3 LYS 11 HE3 LYS 11 10.362 52.533 -1.335 98 HZ1 LYS 11 HZ1 LYS 11 11.746 51.657 -3.045 99 HZ2 LYS 11 HZ2 LYS 11 11.643 50.077 -2.525 100 HZ3 LYS 11 HZ3 LYS 11 12.456 51.312 -1.635 101 H THR 12 H THR 12 5.998 51.398 1.043 102 HA THR 12 HA THR 12 4.392 48.844 0.946 103 HB THR 12 HB THR 12 3.588 51.781 0.506 104 HG1 THR 12 HG1 THR 12 3.972 51.446 2.536 105 HG21 THR 12 HG21 THR 12 1.830 49.289 0.827 106 HG22 THR 12 HG22 THR 12 2.209 50.065 -0.799 107 HG23 THR 12 HG23 THR 12 1.417 50.989 0.435 108 H ILE 13 H ILE 13 4.832 47.808 -0.950 109 HA ILE 13 HA ILE 13 5.603 49.183 -3.325 110 HB ILE 13 HB ILE 13 5.651 46.170 -2.631 111 HG12 ILE 13 HG12 ILE 13 7.010 47.269 -0.858 112 HG13 ILE 13 HG13 ILE 13 7.957 46.305 -2.098 113 HG21 ILE 13 HG21 ILE 13 7.241 46.060 -4.396 114 HG22 ILE 13 HG22 ILE 13 7.100 47.773 -4.687 115 HG23 ILE 13 HG23 ILE 13 5.743 46.741 -5.033 116 HD11 ILE 13 HD11 ILE 13 7.799 49.348 -1.798 117 HD12 ILE 13 HD12 ILE 13 8.344 48.591 -3.248 118 HD13 ILE 13 HD13 ILE 13 9.265 48.320 -1.716 119 H THR 14 H THR 14 4.020 49.620 -4.796 120 HA THR 14 HA THR 14 1.621 48.066 -4.696 121 HB THR 14 HB THR 14 2.266 50.271 -6.657 122 HG1 THR 14 HG1 THR 14 2.139 51.007 -4.535 123 HG21 THR 14 HG21 THR 14 -0.283 48.849 -5.741 124 HG22 THR 14 HG22 THR 14 0.461 48.693 -7.381 125 HG23 THR 14 HG23 THR 14 -0.221 50.247 -6.817 126 H LEU 15 H LEU 15 1.304 46.413 -6.253 127 HA LEU 15 HA LEU 15 3.013 46.064 -8.637 128 HB2 LEU 15 HB2 LEU 15 1.787 43.802 -7.024 129 HB3 LEU 15 HB3 LEU 15 2.924 43.696 -8.348 130 HG LEU 15 HG LEU 15 3.706 44.953 -5.641 131 HD11 LEU 15 HD11 LEU 15 4.990 43.051 -5.322 132 HD12 LEU 15 HD12 LEU 15 4.602 42.347 -6.916 133 HD13 LEU 15 HD13 LEU 15 3.434 42.415 -5.495 134 HD21 LEU 15 HD21 LEU 15 5.943 44.803 -6.722 135 HD22 LEU 15 HD22 LEU 15 4.906 46.068 -7.419 136 HD23 LEU 15 HD23 LEU 15 5.233 44.469 -8.292 137 H GLU 16 H GLU 16 1.798 46.502 -10.333 138 HA GLU 16 HA GLU 16 -1.031 45.819 -10.637 139 HB2 GLU 16 HB2 GLU 16 -0.370 47.588 -11.992 140 HB3 GLU 16 HB3 GLU 16 1.076 46.880 -12.543 141 HG2 GLU 16 HG2 GLU 16 -0.398 46.874 -14.342 142 HG3 GLU 16 HG3 GLU 16 -0.143 45.197 -13.935 143 H VAL 17 H VAL 17 -1.879 43.861 -10.962 144 HA VAL 17 HA VAL 17 -0.275 41.870 -12.173 145 HB VAL 17 HB VAL 17 -0.988 40.445 -10.132 146 HG11 VAL 17 HG11 VAL 17 0.681 41.049 -8.681 147 HG12 VAL 17 HG12 VAL 17 0.440 42.760 -8.755 148 HG13 VAL 17 HG13 VAL 17 1.286 41.840 -10.124 149 HG21 VAL 17 HG21 VAL 17 -1.649 41.398 -7.997 150 HG22 VAL 17 HG22 VAL 17 -2.909 41.508 -9.243 151 HG23 VAL 17 HG23 VAL 17 -2.070 42.964 -8.716 152 H GLU 18 H GLU 18 -1.563 39.983 -12.384 153 HA GLU 18 HA GLU 18 -4.354 40.538 -12.812 154 HB2 GLU 18 HB2 GLU 18 -2.538 38.622 -14.240 155 HB3 GLU 18 HB3 GLU 18 -4.237 38.444 -14.379 156 HG2 GLU 18 HG2 GLU 18 -4.335 40.826 -15.223 157 HG3 GLU 18 HG3 GLU 18 -2.563 40.927 -15.236 158 HA PRO 19 HA PRO 19 -5.341 37.719 -9.650 159 HB2 PRO 19 HB2 PRO 19 -7.645 36.381 -11.171 160 HB3 PRO 19 HB3 PRO 19 -7.579 37.221 -9.542 161 HG2 PRO 19 HG2 PRO 19 -8.754 38.366 -11.791 162 HG3 PRO 19 HG3 PRO 19 -7.840 39.380 -10.592 163 HD2 PRO 19 HD2 PRO 19 -6.845 38.179 -13.199 164 HD3 PRO 19 HD3 PRO 19 -6.272 39.826 -12.537 165 H SER 20 H SER 20 -4.618 36.436 -12.551 166 HA SER 20 HA SER 20 -4.129 33.592 -11.625 167 HB2 SER 20 HB2 SER 20 -3.523 33.118 -14.034 168 HB3 SER 20 HB3 SER 20 -5.239 33.463 -13.766 169 HG SER 20 HG SER 20 -3.331 35.258 -14.910 170 H ASP 21 H ASP 21 -2.408 36.557 -11.441 171 HA ASP 21 HA ASP 21 0.175 35.456 -11.936 172 HB2 ASP 21 HB2 ASP 21 -0.947 37.737 -10.456 173 HB3 ASP 21 HB3 ASP 21 0.826 37.452 -10.501 174 H THR 22 H THR 22 1.635 34.243 -10.463 175 HA THR 22 HA THR 22 0.309 33.000 -8.185 176 HB THR 22 HB THR 22 2.426 31.594 -8.050 177 HG1 THR 22 HG1 THR 22 3.785 31.763 -9.820 178 HG21 THR 22 HG21 THR 22 1.891 30.429 -10.193 179 HG22 THR 22 HG22 THR 22 0.803 31.809 -10.659 180 HG23 THR 22 HG23 THR 22 0.493 30.944 -9.191 181 H ILE 23 H ILE 23 1.474 32.569 -6.284 182 HA ILE 23 HA ILE 23 2.349 34.948 -5.048 183 HB ILE 23 HB ILE 23 2.648 32.093 -4.256 184 HG12 ILE 23 HG12 ILE 23 0.261 32.751 -4.315 185 HG13 ILE 23 HG13 ILE 23 0.832 32.536 -2.707 186 HG21 ILE 23 HG21 ILE 23 3.137 34.616 -2.488 187 HG22 ILE 23 HG22 ILE 23 4.411 33.538 -3.164 188 HG23 ILE 23 HG23 ILE 23 3.378 32.857 -2.026 189 HD11 ILE 23 HD11 ILE 23 0.847 35.099 -2.296 190 HD12 ILE 23 HD12 ILE 23 -0.661 34.506 -3.000 191 HD13 ILE 23 HD13 ILE 23 0.522 35.329 -4.053 192 H GLU 24 H GLU 24 4.139 31.981 -6.352 193 HA GLU 24 HA GLU 24 6.787 32.890 -6.189 194 HB2 GLU 24 HB2 GLU 24 6.427 30.807 -6.729 195 HB3 GLU 24 HB3 GLU 24 5.254 31.116 -8.040 196 HG2 GLU 24 HG2 GLU 24 7.176 32.050 -9.402 197 HG3 GLU 24 HG3 GLU 24 8.269 31.843 -8.076 198 H ASN 25 H ASN 25 4.477 33.852 -8.811 199 HA ASN 25 HA ASN 25 6.332 35.539 -10.114 200 HB2 ASN 25 HB2 ASN 25 3.260 35.780 -9.957 201 HB3 ASN 25 HB3 ASN 25 4.372 36.720 -11.032 202 HD21 ASN 25 HD21 ASN 25 6.081 34.361 -11.495 203 HD22 ASN 25 HD22 ASN 25 5.176 33.433 -12.713 204 H VAL 26 H VAL 26 4.037 36.523 -7.495 205 HA VAL 26 HA VAL 26 4.851 39.141 -7.440 206 HB VAL 26 HB VAL 26 3.595 37.455 -5.338 207 HG11 VAL 26 HG11 VAL 26 3.015 39.915 -4.338 208 HG12 VAL 26 HG12 VAL 26 4.403 40.401 -5.376 209 HG13 VAL 26 HG13 VAL 26 4.605 39.189 -4.178 210 HG21 VAL 26 HG21 VAL 26 2.293 37.822 -7.555 211 HG22 VAL 26 HG22 VAL 26 2.600 39.598 -7.367 212 HG23 VAL 26 HG23 VAL 26 1.632 38.681 -6.149 213 H LYS 27 H LYS 27 6.327 36.350 -5.673 214 HA LYS 27 HA LYS 27 8.307 37.645 -4.065 215 HB2 LYS 27 HB2 LYS 27 8.118 34.752 -5.048 216 HB3 LYS 27 HB3 LYS 27 9.348 35.455 -4.089 217 HG2 LYS 27 HG2 LYS 27 8.107 36.085 -2.294 218 HG3 LYS 27 HG3 LYS 27 6.518 35.847 -3.091 219 HD2 LYS 27 HD2 LYS 27 6.951 33.434 -3.337 220 HD3 LYS 27 HD3 LYS 27 8.602 33.611 -2.602 221 HE2 LYS 27 HE2 LYS 27 7.138 34.524 -0.598 222 HE3 LYS 27 HE3 LYS 27 5.832 33.584 -1.440 223 HZ1 LYS 27 HZ1 LYS 27 6.904 32.195 0.170 224 HZ2 LYS 27 HZ2 LYS 27 8.389 32.320 -0.631 225 HZ3 LYS 27 HZ3 LYS 27 7.072 31.772 -1.487 226 H ALA 28 H ALA 28 8.302 36.375 -7.594 227 HA ALA 28 HA ALA 28 10.847 37.358 -8.223 228 HB1 ALA 28 HB1 ALA 28 8.458 36.778 -10.019 229 HB2 ALA 28 HB2 ALA 28 9.468 35.506 -9.294 230 HB3 ALA 28 HB3 ALA 28 10.166 36.618 -10.502 231 H LYS 29 H LYS 29 7.840 38.867 -8.653 232 HA LYS 29 HA LYS 29 8.696 41.424 -9.637 233 HB2 LYS 29 HB2 LYS 29 6.180 40.541 -8.192 234 HB3 LYS 29 HB3 LYS 29 6.463 42.199 -8.603 235 HG2 LYS 29 HG2 LYS 29 6.427 41.628 -10.981 236 HG3 LYS 29 HG3 LYS 29 6.599 39.901 -10.591 237 HD2 LYS 29 HD2 LYS 29 4.489 39.940 -9.466 238 HD3 LYS 29 HD3 LYS 29 4.129 41.627 -9.888 239 HE2 LYS 29 HE2 LYS 29 4.544 39.311 -11.881 240 HE3 LYS 29 HE3 LYS 29 3.000 40.111 -11.416 241 HZ1 LYS 29 HZ1 LYS 29 5.043 41.128 -13.289 242 HZ2 LYS 29 HZ2 LYS 29 4.520 42.166 -12.013 243 HZ3 LYS 29 HZ3 LYS 29 3.409 41.496 -13.082 244 H ILE 30 H ILE 30 8.581 40.394 -6.193 245 HA ILE 30 HA ILE 30 9.529 42.902 -5.247 246 HB ILE 30 HB ILE 30 9.533 40.219 -3.940 247 HG12 ILE 30 HG12 ILE 30 7.280 41.259 -4.332 248 HG13 ILE 30 HG13 ILE 30 7.630 41.064 -2.672 249 HG21 ILE 30 HG21 ILE 30 11.345 41.313 -3.049 250 HG22 ILE 30 HG22 ILE 30 10.075 41.354 -1.915 251 HG23 ILE 30 HG23 ILE 30 10.360 42.889 -2.741 252 HD11 ILE 30 HD11 ILE 30 8.341 43.438 -2.466 253 HD12 ILE 30 HD12 ILE 30 6.688 43.337 -3.083 254 HD13 ILE 30 HD13 ILE 30 8.072 43.748 -4.154 255 H GLN 31 H GLN 31 11.217 39.909 -6.199 256 HA GLN 31 HA GLN 31 13.841 40.766 -5.925 257 HB2 GLN 31 HB2 GLN 31 13.386 38.536 -6.261 258 HB3 GLN 31 HB3 GLN 31 12.522 38.802 -7.734 259 HG2 GLN 31 HG2 GLN 31 14.769 37.695 -8.222 260 HG3 GLN 31 HG3 GLN 31 14.597 39.260 -9.041 261 HE21 GLN 31 HE21 GLN 31 16.245 40.161 -9.270 262 HE22 GLN 31 HE22 GLN 31 17.466 40.520 -8.026 263 H ASP 32 H ASP 32 11.633 41.348 -8.772 264 HA ASP 32 HA ASP 32 13.461 43.113 -10.091 265 HB2 ASP 32 HB2 ASP 32 11.344 41.883 -11.044 266 HB3 ASP 32 HB3 ASP 32 10.554 43.080 -10.013 267 H LYS 33 H LYS 33 10.947 43.980 -7.802 268 HA LYS 33 HA LYS 33 11.441 46.828 -7.969 269 HB2 LYS 33 HB2 LYS 33 9.911 44.951 -6.290 270 HB3 LYS 33 HB3 LYS 33 10.162 46.690 -5.702 271 HG2 LYS 33 HG2 LYS 33 9.096 45.697 -8.480 272 HG3 LYS 33 HG3 LYS 33 8.059 46.006 -7.103 273 HD2 LYS 33 HD2 LYS 33 8.683 48.481 -7.032 274 HD3 LYS 33 HD3 LYS 33 9.866 48.169 -8.175 275 HE2 LYS 33 HE2 LYS 33 6.907 48.049 -8.393 276 HE3 LYS 33 HE3 LYS 33 7.980 49.316 -9.109 277 HZ1 LYS 33 HZ1 LYS 33 8.791 47.240 -10.431 278 HZ2 LYS 33 HZ2 LYS 33 7.419 48.011 -10.939 279 HZ3 LYS 33 HZ3 LYS 33 7.210 46.612 -10.037 280 H GLU 34 H GLU 34 12.586 44.509 -5.322 281 HA GLU 34 HA GLU 34 14.134 46.800 -4.220 282 HB2 GLU 34 HB2 GLU 34 12.756 44.516 -2.886 283 HB3 GLU 34 HB3 GLU 34 13.737 45.685 -2.004 284 HG2 GLU 34 HG2 GLU 34 11.215 46.448 -3.561 285 HG3 GLU 34 HG3 GLU 34 11.251 46.159 -1.803 286 H GLY 35 H GLY 35 14.690 43.603 -5.623 287 HA2 GLY 35 HA2 GLY 35 16.589 42.451 -5.746 288 HA3 GLY 35 HA3 GLY 35 17.453 43.646 -4.846 289 H ILE 36 H ILE 36 14.450 41.522 -3.813 290 HA ILE 36 HA ILE 36 16.209 40.409 -1.753 291 HB ILE 36 HB ILE 36 13.188 40.416 -2.012 292 HG12 ILE 36 HG12 ILE 36 15.050 42.084 -0.289 293 HG13 ILE 36 HG13 ILE 36 13.956 42.593 -1.582 294 HG21 ILE 36 HG21 ILE 36 13.211 39.479 0.335 295 HG22 ILE 36 HG22 ILE 36 14.923 39.287 0.257 296 HG23 ILE 36 HG23 ILE 36 13.849 38.349 -0.846 297 HD11 ILE 36 HD11 ILE 36 12.759 43.272 0.329 298 HD12 ILE 36 HD12 ILE 36 13.060 41.736 1.241 299 HD13 ILE 36 HD13 ILE 36 11.991 41.726 -0.185 300 HA PRO 37 HA PRO 37 15.921 37.091 -4.628 301 HB2 PRO 37 HB2 PRO 37 16.917 35.256 -2.407 302 HB3 PRO 37 HB3 PRO 37 17.598 35.340 -4.098 303 HG2 PRO 37 HG2 PRO 37 18.945 36.602 -1.967 304 HG3 PRO 37 HG3 PRO 37 18.774 37.364 -3.597 305 HD2 PRO 37 HD2 PRO 37 17.195 38.023 -1.100 306 HD3 PRO 37 HD3 PRO 37 17.967 39.069 -2.409 307 HA PRO 38 HA PRO 38 11.907 35.525 -3.989 308 HB2 PRO 38 HB2 PRO 38 12.811 33.122 -5.766 309 HB3 PRO 38 HB3 PRO 38 11.248 34.010 -5.785 310 HG2 PRO 38 HG2 PRO 38 13.043 34.576 -7.567 311 HG3 PRO 38 HG3 PRO 38 12.186 35.909 -6.683 312 HD2 PRO 38 HD2 PRO 38 15.012 34.896 -6.163 313 HD3 PRO 38 HD3 PRO 38 14.381 36.558 -6.146 314 H ASP 39 H ASP 39 14.203 33.052 -3.496 315 HA ASP 39 HA ASP 39 12.684 31.432 -1.737 316 HB2 ASP 39 HB2 ASP 39 14.768 30.182 -1.509 317 HB3 ASP 39 HB3 ASP 39 14.124 30.242 -3.132 318 H GLN 40 H GLN 40 14.203 34.464 -1.267 319 HA GLN 40 HA GLN 40 14.676 33.903 1.602 320 HB2 GLN 40 HB2 GLN 40 15.657 36.086 -0.219 321 HB3 GLN 40 HB3 GLN 40 15.823 36.334 1.527 322 HG2 GLN 40 HG2 GLN 40 17.272 34.496 -0.282 323 HG3 GLN 40 HG3 GLN 40 17.978 35.714 0.759 324 HE21 GLN 40 HE21 GLN 40 16.905 35.368 3.254 325 HE22 GLN 40 HE22 GLN 40 17.229 33.727 3.733 326 H GLN 41 H GLN 41 11.915 34.173 0.476 327 HA GLN 41 HA GLN 41 10.990 36.584 1.874 328 HB2 GLN 41 HB2 GLN 41 10.064 35.548 -0.813 329 HB3 GLN 41 HB3 GLN 41 9.234 36.797 0.257 330 HG2 GLN 41 HG2 GLN 41 11.201 38.200 0.272 331 HG3 GLN 41 HG3 GLN 41 12.081 37.116 -0.826 332 HE21 GLN 41 HE21 GLN 41 12.185 38.203 -3.001 333 HE22 GLN 41 HE22 GLN 41 10.710 38.922 -3.555 334 H ARG 42 H ARG 42 8.938 36.359 2.827 335 HA ARG 42 HA ARG 42 7.357 34.090 2.116 336 HB2 ARG 42 HB2 ARG 42 8.015 34.915 4.968 337 HB3 ARG 42 HB3 ARG 42 6.599 33.896 4.485 338 HG2 ARG 42 HG2 ARG 42 9.554 33.054 4.162 339 HG3 ARG 42 HG3 ARG 42 8.446 32.603 5.441 340 HD2 ARG 42 HD2 ARG 42 6.844 31.632 3.738 341 HD3 ARG 42 HD3 ARG 42 7.919 32.102 2.419 342 HE ARG 42 HE ARG 42 8.099 29.825 4.165 343 HH11 ARG 42 HH11 ARG 42 9.949 31.848 1.951 344 HH12 ARG 42 HH12 ARG 42 11.160 30.632 1.730 345 HH21 ARG 42 HH21 ARG 42 9.821 28.373 3.995 346 HH22 ARG 42 HH22 ARG 42 11.036 28.782 2.788 347 H LEU 43 H LEU 43 5.139 34.681 2.158 348 HA LEU 43 HA LEU 43 4.539 37.564 2.548 349 HB2 LEU 43 HB2 LEU 43 3.380 35.914 0.226 350 HB3 LEU 43 HB3 LEU 43 3.144 37.634 0.555 351 HG LEU 43 HG LEU 43 5.669 36.351 -0.605 352 HD11 LEU 43 HD11 LEU 43 3.811 38.499 -1.782 353 HD12 LEU 43 HD12 LEU 43 3.701 36.769 -1.997 354 HD13 LEU 43 HD13 LEU 43 5.209 37.588 -2.485 355 HD21 LEU 43 HD21 LEU 43 6.778 38.370 -0.506 356 HD22 LEU 43 HD22 LEU 43 6.052 38.165 1.197 357 HD23 LEU 43 HD23 LEU 43 5.352 39.316 -0.131 358 H ILE 44 H ILE 44 3.246 37.742 4.289 359 HA ILE 44 HA ILE 44 1.280 35.686 4.781 360 HB ILE 44 HB ILE 44 2.235 37.991 6.429 361 HG12 ILE 44 HG12 ILE 44 3.243 35.136 6.391 362 HG13 ILE 44 HG13 ILE 44 4.318 36.543 6.064 363 HG21 ILE 44 HG21 ILE 44 1.359 36.662 8.335 364 HG22 ILE 44 HG22 ILE 44 0.672 35.387 7.277 365 HG23 ILE 44 HG23 ILE 44 -0.018 37.046 7.256 366 HD11 ILE 44 HD11 ILE 44 3.884 37.389 8.383 367 HD12 ILE 44 HD12 ILE 44 4.889 35.916 8.243 368 HD13 ILE 44 HD13 ILE 44 3.166 35.782 8.806 369 H PHE 45 H PHE 45 -0.918 36.145 5.278 370 HA PHE 45 HA PHE 45 -2.120 38.631 4.596 371 HB2 PHE 45 HB2 PHE 45 -1.787 37.542 2.303 372 HB3 PHE 45 HB3 PHE 45 -2.488 36.055 2.929 373 HD1 PHE 45 HD1 PHE 45 -3.165 39.779 2.346 374 HD2 PHE 45 HD2 PHE 45 -4.805 35.769 2.484 375 HE1 PHE 45 HE1 PHE 45 -5.504 40.611 1.922 376 HE2 PHE 45 HE2 PHE 45 -6.959 36.649 1.644 377 HZ PHE 45 HZ PHE 45 -7.345 39.039 1.432 378 H ALA 46 H ALA 46 -3.540 39.002 5.992 379 HA ALA 46 HA ALA 46 -4.048 38.477 8.219 380 HB1 ALA 46 HB1 ALA 46 -6.366 38.967 8.014 381 HB2 ALA 46 HB2 ALA 46 -6.341 38.096 6.414 382 HB3 ALA 46 HB3 ALA 46 -5.507 39.697 6.675 383 H GLY 47 H GLY 47 -3.144 36.741 9.380 384 HA2 GLY 47 HA2 GLY 47 -3.522 34.883 10.604 385 HA3 GLY 47 HA3 GLY 47 -5.087 34.626 9.854 386 H LYS 48 H LYS 48 -3.045 34.809 7.321 387 HA LYS 48 HA LYS 48 -1.965 31.978 7.565 388 HB2 LYS 48 HB2 LYS 48 -3.593 32.779 5.210 389 HB3 LYS 48 HB3 LYS 48 -2.865 31.235 5.567 390 HG2 LYS 48 HG2 LYS 48 -4.443 30.796 7.355 391 HG3 LYS 48 HG3 LYS 48 -5.267 32.386 7.144 392 HD2 LYS 48 HD2 LYS 48 -5.479 31.768 4.742 393 HD3 LYS 48 HD3 LYS 48 -5.189 30.049 5.156 394 HE2 LYS 48 HE2 LYS 48 -6.948 30.119 6.784 395 HE3 LYS 48 HE3 LYS 48 -7.424 31.825 6.440 396 HZ1 LYS 48 HZ1 LYS 48 -8.776 30.783 4.944 397 HZ2 LYS 48 HZ2 LYS 48 -7.698 29.440 4.836 398 HZ3 LYS 48 HZ3 LYS 48 -7.481 30.822 3.929 399 H GLN 49 H GLN 49 0.101 31.819 7.122 400 HA GLN 49 HA GLN 49 1.649 33.479 5.322 401 HB2 GLN 49 HB2 GLN 49 2.202 31.963 7.434 402 HB3 GLN 49 HB3 GLN 49 2.225 30.665 6.217 403 HG2 GLN 49 HG2 GLN 49 4.067 33.176 6.242 404 HG3 GLN 49 HG3 GLN 49 4.397 31.436 6.694 405 HE21 GLN 49 HE21 GLN 49 4.141 29.805 5.136 406 HE22 GLN 49 HE22 GLN 49 4.221 30.082 3.426 407 H LEU 50 H LEU 50 2.104 33.097 3.177 408 HA LEU 50 HA LEU 50 0.155 31.446 1.843 409 HB2 LEU 50 HB2 LEU 50 1.564 33.791 0.637 410 HB3 LEU 50 HB3 LEU 50 0.284 32.786 -0.125 411 HG LEU 50 HG LEU 50 0.038 34.737 2.252 412 HD11 LEU 50 HD11 LEU 50 -1.175 34.345 -0.473 413 HD12 LEU 50 HD12 LEU 50 -0.149 35.704 0.066 414 HD13 LEU 50 HD13 LEU 50 -1.919 35.537 0.573 415 HD21 LEU 50 HD21 LEU 50 -2.055 32.838 1.051 416 HD22 LEU 50 HD22 LEU 50 -2.415 33.996 2.438 417 HD23 LEU 50 HD23 LEU 50 -1.369 32.564 2.687 418 H GLU 51 H GLU 51 0.626 29.876 0.556 419 HA GLU 51 HA GLU 51 3.090 28.705 -0.175 420 HB2 GLU 51 HB2 GLU 51 0.204 28.410 -0.938 421 HB3 GLU 51 HB3 GLU 51 1.531 27.347 -1.619 422 HG2 GLU 51 HG2 GLU 51 2.152 26.430 0.532 423 HG3 GLU 51 HG3 GLU 51 1.006 27.573 1.408 424 H ASP 52 H ASP 52 4.202 28.453 -1.993 425 HA ASP 52 HA ASP 52 4.247 30.681 -3.737 426 HB2 ASP 52 HB2 ASP 52 5.967 28.023 -3.774 427 HB3 ASP 52 HB3 ASP 52 6.218 29.470 -4.828 428 H GLY 53 H GLY 53 2.920 27.497 -4.008 429 HA2 GLY 53 HA2 GLY 53 2.845 27.719 -6.904 430 HA3 GLY 53 HA3 GLY 53 2.616 26.281 -5.966 431 H ARG 54 H ARG 54 0.877 29.230 -5.069 432 HA ARG 54 HA ARG 54 -1.662 28.257 -6.141 433 HB2 ARG 54 HB2 ARG 54 -1.149 30.280 -3.896 434 HB3 ARG 54 HB3 ARG 54 -2.691 29.635 -4.315 435 HG2 ARG 54 HG2 ARG 54 -0.393 28.130 -3.046 436 HG3 ARG 54 HG3 ARG 54 -1.883 28.471 -2.234 437 HD2 ARG 54 HD2 ARG 54 -3.090 27.199 -3.916 438 HD3 ARG 54 HD3 ARG 54 -1.468 26.461 -4.480 439 HE ARG 54 HE ARG 54 -1.520 26.455 -1.691 440 HH11 ARG 54 HH11 ARG 54 -3.456 24.621 -3.925 441 HH12 ARG 54 HH12 ARG 54 -3.707 23.385 -2.656 442 HH21 ARG 54 HH21 ARG 54 -1.347 24.676 -0.606 443 HH22 ARG 54 HH22 ARG 54 -2.182 23.211 -1.023 444 H THR 55 H THR 55 -2.849 29.794 -7.371 445 HA THR 55 HA THR 55 -1.570 32.391 -8.072 446 HB THR 55 HB THR 55 -3.357 32.941 -9.635 447 HG1 THR 55 HG1 THR 55 -4.583 30.454 -8.764 448 HG21 THR 55 HG21 THR 55 -2.633 29.944 -9.768 449 HG22 THR 55 HG22 THR 55 -1.410 31.197 -10.202 450 HG23 THR 55 HG23 THR 55 -2.914 31.045 -11.177 451 H LEU 56 H LEU 56 -2.763 34.431 -8.026 452 HA LEU 56 HA LEU 56 -3.547 35.031 -5.417 453 HB2 LEU 56 HB2 LEU 56 -3.762 36.479 -8.100 454 HB3 LEU 56 HB3 LEU 56 -4.464 37.270 -6.689 455 HG LEU 56 HG LEU 56 -1.542 36.422 -6.740 456 HD11 LEU 56 HD11 LEU 56 -2.891 39.049 -7.135 457 HD12 LEU 56 HD12 LEU 56 -2.184 38.027 -8.475 458 HD13 LEU 56 HD13 LEU 56 -1.106 38.855 -7.297 459 HD21 LEU 56 HD21 LEU 56 -3.065 38.239 -4.852 460 HD22 LEU 56 HD22 LEU 56 -1.249 38.090 -4.767 461 HD23 LEU 56 HD23 LEU 56 -2.246 36.732 -4.439 462 H SER 57 H SER 57 -5.564 34.260 -8.313 463 HA SER 57 HA SER 57 -8.006 34.498 -6.974 464 HB2 SER 57 HB2 SER 57 -7.952 34.094 -9.567 465 HB3 SER 57 HB3 SER 57 -7.420 32.485 -9.100 466 HG SER 57 HG SER 57 -9.635 32.707 -9.628 467 H ASP 58 H ASP 58 -5.772 31.702 -6.974 468 HA ASP 58 HA ASP 58 -7.526 29.836 -5.763 469 HB2 ASP 58 HB2 ASP 58 -4.509 30.127 -5.700 470 HB3 ASP 58 HB3 ASP 58 -5.365 28.691 -5.127 471 H TYR 59 H TYR 59 -5.413 32.335 -4.260 472 HA TYR 59 HA TYR 59 -6.519 31.718 -1.577 473 HB2 TYR 59 HB2 TYR 59 -4.489 33.596 -2.600 474 HB3 TYR 59 HB3 TYR 59 -5.132 33.920 -1.078 475 HD1 TYR 59 HD1 TYR 59 -2.440 32.344 -2.647 476 HD2 TYR 59 HD2 TYR 59 -5.392 31.585 0.370 477 HE1 TYR 59 HE1 TYR 59 -0.824 31.020 -1.340 478 HE2 TYR 59 HE2 TYR 59 -3.875 29.849 1.374 479 HH TYR 59 HH TYR 59 -1.944 28.467 0.751 480 H ASN 60 H ASN 60 -7.512 33.440 -4.120 481 HA ASN 60 HA ASN 60 -9.387 34.538 -4.469 482 HB2 ASN 60 HB2 ASN 60 -10.487 34.668 -1.647 483 HB3 ASN 60 HB3 ASN 60 -11.204 34.696 -3.328 484 HD21 ASN 60 HD21 ASN 60 -10.791 32.566 -4.685 485 HD22 ASN 60 HD22 ASN 60 -10.755 31.120 -3.842 486 H ILE 61 H ILE 61 -6.890 35.979 -4.392 487 HA ILE 61 HA ILE 61 -7.459 38.320 -2.811 488 HB ILE 61 HB ILE 61 -5.376 38.145 -5.038 489 HG12 ILE 61 HG12 ILE 61 -4.769 36.438 -3.530 490 HG13 ILE 61 HG13 ILE 61 -3.853 37.765 -2.891 491 HG21 ILE 61 HG21 ILE 61 -5.691 40.524 -4.437 492 HG22 ILE 61 HG22 ILE 61 -4.238 39.914 -3.718 493 HG23 ILE 61 HG23 ILE 61 -5.725 40.069 -2.666 494 HD11 ILE 61 HD11 ILE 61 -6.492 37.008 -1.546 495 HD12 ILE 61 HD12 ILE 61 -5.265 38.190 -1.028 496 HD13 ILE 61 HD13 ILE 61 -4.873 36.494 -1.006 497 H GLN 62 H GLN 62 -8.435 40.002 -3.215 498 HA GLN 62 HA GLN 62 -9.530 40.449 -5.836 499 HB2 GLN 62 HB2 GLN 62 -10.176 41.746 -3.060 500 HB3 GLN 62 HB3 GLN 62 -11.061 41.943 -4.571 501 HG2 GLN 62 HG2 GLN 62 -10.771 39.246 -3.123 502 HG3 GLN 62 HG3 GLN 62 -12.204 40.359 -3.194 503 HE21 GLN 62 HE21 GLN 62 -11.091 37.417 -4.227 504 HE22 GLN 62 HE22 GLN 62 -11.818 37.276 -5.753 505 H LYS 63 H LYS 63 -9.705 42.899 -6.458 506 HA LYS 63 HA LYS 63 -7.038 43.921 -6.460 507 HB2 LYS 63 HB2 LYS 63 -7.821 45.834 -7.723 508 HB3 LYS 63 HB3 LYS 63 -8.322 44.292 -8.481 509 HG2 LYS 63 HG2 LYS 63 -10.641 44.566 -7.447 510 HG3 LYS 63 HG3 LYS 63 -10.157 46.154 -6.781 511 HD2 LYS 63 HD2 LYS 63 -9.884 47.121 -9.088 512 HD3 LYS 63 HD3 LYS 63 -9.905 45.493 -9.775 513 HE2 LYS 63 HE2 LYS 63 -12.244 45.239 -9.400 514 HE3 LYS 63 HE3 LYS 63 -12.355 46.657 -8.298 515 HZ1 LYS 63 HZ1 LYS 63 -13.203 47.495 -10.112 516 HZ2 LYS 63 HZ2 LYS 63 -12.053 46.774 -11.235 517 HZ3 LYS 63 HZ3 LYS 63 -11.604 47.993 -10.160 518 H GLU 64 H GLU 64 -6.222 45.373 -5.360 519 HA GLU 64 HA GLU 64 -5.652 47.053 -4.038 520 HB2 GLU 64 HB2 GLU 64 -8.543 47.715 -3.422 521 HB3 GLU 64 HB3 GLU 64 -7.094 48.669 -3.055 522 HG2 GLU 64 HG2 GLU 64 -6.457 48.584 -5.445 523 HG3 GLU 64 HG3 GLU 64 -8.070 47.883 -5.770 524 H SER 65 H SER 65 -6.213 44.251 -3.246 525 HA SER 65 HA SER 65 -6.438 44.030 -0.405 526 HB2 SER 65 HB2 SER 65 -5.048 42.119 -2.235 527 HB3 SER 65 HB3 SER 65 -5.636 41.889 -0.529 528 HG SER 65 HG SER 65 -7.142 42.200 -2.816 529 H THR 66 H THR 66 -5.189 44.188 1.292 530 HA THR 66 HA THR 66 -2.306 45.008 0.943 531 HB THR 66 HB THR 66 -3.781 45.191 3.462 532 HG1 THR 66 HG1 THR 66 -4.412 46.789 2.105 533 HG21 THR 66 HG21 THR 66 -1.430 44.541 3.754 534 HG22 THR 66 HG22 THR 66 -1.578 46.239 4.120 535 HG23 THR 66 HG23 THR 66 -0.874 45.659 2.568 536 H LEU 67 H LEU 67 -0.711 43.555 1.148 537 HA LEU 67 HA LEU 67 -1.113 41.154 2.797 538 HB2 LEU 67 HB2 LEU 67 0.320 41.161 0.058 539 HB3 LEU 67 HB3 LEU 67 -0.167 39.712 0.971 540 HG LEU 67 HG LEU 67 -2.601 40.847 0.632 541 HD11 LEU 67 HD11 LEU 67 -1.076 41.052 -2.131 542 HD12 LEU 67 HD12 LEU 67 -1.583 42.456 -1.288 543 HD13 LEU 67 HD13 LEU 67 -2.853 41.267 -1.918 544 HD21 LEU 67 HD21 LEU 67 -2.205 38.541 0.353 545 HD22 LEU 67 HD22 LEU 67 -1.302 38.671 -1.167 546 HD23 LEU 67 HD23 LEU 67 -2.973 39.073 -1.285 547 H HIS 68 H HIS 68 1.058 40.114 3.511 548 HA HIS 68 HA HIS 68 2.737 42.529 3.932 549 HB2 HIS 68 HB2 HIS 68 1.620 40.364 5.784 550 HB3 HIS 68 HB3 HIS 68 2.827 41.606 6.362 551 HD1 HIS 68 HD1 HIS 68 -0.808 41.046 5.718 552 HD2 HIS 68 HD2 HIS 68 1.820 44.175 6.614 553 HE1 HIS 68 HE1 HIS 68 -2.201 43.294 6.289 554 H LEU 69 H LEU 69 4.807 42.443 3.687 555 HA LEU 69 HA LEU 69 5.916 39.787 2.914 556 HB2 LEU 69 HB2 LEU 69 6.646 41.447 1.291 557 HB3 LEU 69 HB3 LEU 69 6.907 42.603 2.550 558 HG LEU 69 HG LEU 69 9.054 41.319 3.169 559 HD11 LEU 69 HD11 LEU 69 9.785 39.450 1.587 560 HD12 LEU 69 HD12 LEU 69 8.365 39.777 0.628 561 HD13 LEU 69 HD13 LEU 69 8.195 39.158 2.346 562 HD21 LEU 69 HD21 LEU 69 10.306 41.672 1.119 563 HD22 LEU 69 HD22 LEU 69 9.437 43.184 1.731 564 HD23 LEU 69 HD23 LEU 69 8.840 42.314 0.285 565 H VAL 70 H VAL 70 6.965 38.509 4.385 566 HA VAL 70 HA VAL 70 8.542 39.883 6.557 567 HB VAL 70 HB VAL 70 7.451 37.094 6.432 568 HG11 VAL 70 HG11 VAL 70 8.611 37.030 8.739 569 HG12 VAL 70 HG12 VAL 70 9.522 38.515 8.283 570 HG13 VAL 70 HG13 VAL 70 9.716 37.019 7.333 571 HG21 VAL 70 HG21 VAL 70 5.830 38.980 7.202 572 HG22 VAL 70 HG22 VAL 70 7.075 39.385 8.475 573 HG23 VAL 70 HG23 VAL 70 6.384 37.791 8.526 574 H LEU 71 H LEU 71 10.342 40.336 5.355 575 HA LEU 71 HA LEU 71 11.839 38.617 3.850 576 HB2 LEU 71 HB2 LEU 71 12.211 40.985 3.703 577 HB3 LEU 71 HB3 LEU 71 12.470 41.000 5.442 578 HG LEU 71 HG LEU 71 14.547 39.509 5.096 579 HD11 LEU 71 HD11 LEU 71 15.805 39.504 3.104 580 HD12 LEU 71 HD12 LEU 71 14.489 40.347 2.218 581 HD13 LEU 71 HD13 LEU 71 14.311 38.654 2.839 582 HD21 LEU 71 HD21 LEU 71 16.003 41.229 4.682 583 HD22 LEU 71 HD22 LEU 71 14.622 41.883 5.663 584 HD23 LEU 71 HD23 LEU 71 14.811 42.323 3.938 585 H ARG 72 H ARG 72 13.032 36.886 4.078 586 HA ARG 72 HA ARG 72 13.656 35.867 6.770 587 HB2 ARG 72 HB2 ARG 72 14.146 34.853 4.014 588 HB3 ARG 72 HB3 ARG 72 14.759 33.927 5.320 589 HG2 ARG 72 HG2 ARG 72 11.696 34.477 5.016 590 HG3 ARG 72 HG3 ARG 72 12.539 33.014 4.528 591 HD2 ARG 72 HD2 ARG 72 13.281 32.744 6.912 592 HD3 ARG 72 HD3 ARG 72 12.575 34.237 7.451 593 HE ARG 72 HE ARG 72 10.371 33.131 7.180 594 HH11 ARG 72 HH11 ARG 72 12.878 30.773 6.213 595 HH12 ARG 72 HH12 ARG 72 11.694 29.518 6.319 596 HH21 ARG 72 HH21 ARG 72 9.059 31.396 7.301 597 HH22 ARG 72 HH22 ARG 72 9.887 29.848 7.216 598 H LEU 73 H LEU 73 15.598 35.815 7.697 599 HA LEU 73 HA LEU 73 17.856 37.076 6.479 600 HB2 LEU 73 HB2 LEU 73 16.921 36.335 9.079 601 HB3 LEU 73 HB3 LEU 73 18.700 36.777 8.963 602 HG LEU 73 HG LEU 73 18.149 38.920 7.765 603 HD11 LEU 73 HD11 LEU 73 15.857 38.952 7.321 604 HD12 LEU 73 HD12 LEU 73 15.930 39.983 8.736 605 HD13 LEU 73 HD13 LEU 73 15.464 38.184 8.864 606 HD21 LEU 73 HD21 LEU 73 17.436 38.635 10.724 607 HD22 LEU 73 HD22 LEU 73 17.982 40.167 9.918 608 HD23 LEU 73 HD23 LEU 73 19.087 38.766 10.120 609 H ARG 74 H ARG 74 19.961 36.065 6.428 610 HA ARG 74 HA ARG 74 19.843 33.221 6.502 611 HB2 ARG 74 HB2 ARG 74 21.240 33.038 4.230 612 HB3 ARG 74 HB3 ARG 74 19.573 33.309 4.101 613 HG2 ARG 74 HG2 ARG 74 19.828 35.721 3.646 614 HG3 ARG 74 HG3 ARG 74 21.577 35.576 4.009 615 HD2 ARG 74 HD2 ARG 74 21.895 34.015 2.215 616 HD3 ARG 74 HD3 ARG 74 20.235 33.786 1.855 617 HE ARG 74 HE ARG 74 20.792 36.587 1.612 618 HH11 ARG 74 HH11 ARG 74 22.416 33.805 -0.224 619 HH12 ARG 74 HH12 ARG 74 22.761 35.092 -1.307 620 HH21 ARG 74 HH21 ARG 74 21.847 37.836 0.149 621 HH22 ARG 74 HH22 ARG 74 22.384 37.086 -1.207 622 H GLY 75 H GLY 75 22.085 32.192 6.775 623 HA2 GLY 75 HA2 GLY 75 24.057 34.109 7.815 624 HA3 GLY 75 HA3 GLY 75 24.143 32.289 7.600 625 H GLY 76 H GLY 76 26.209 32.955 6.926 626 HA2 GLY 76 HA2 GLY 76 27.603 32.524 4.866 627 HA3 GLY 76 HA3 GLY 76 26.625 33.914 4.271 Start of MODEL 12 1 H MET 1 HT1 MET 1 -4.375 43.099 -11.583 2 HA MET 1 HA MET 1 -5.514 45.822 -11.169 3 HB2 MET 1 HB2 MET 1 -6.961 45.044 -9.717 4 HB3 MET 1 HB3 MET 1 -7.112 43.788 -10.957 5 HG2 MET 1 HG2 MET 1 -5.851 43.637 -8.254 6 HG3 MET 1 HG3 MET 1 -7.338 42.780 -8.796 7 HE1 MET 1 HE1 MET 1 -4.904 41.346 -7.189 8 HE2 MET 1 HE2 MET 1 -5.437 39.781 -7.978 9 HE3 MET 1 HE3 MET 1 -6.581 41.070 -7.680 10 H GLN 2 H GLN 2 -5.109 46.763 -8.871 11 HA GLN 2 HA GLN 2 -2.390 46.528 -8.281 12 HB2 GLN 2 HB2 GLN 2 -4.449 48.408 -7.053 13 HB3 GLN 2 HB3 GLN 2 -2.633 48.446 -6.848 14 HG2 GLN 2 HG2 GLN 2 -3.813 48.461 -9.680 15 HG3 GLN 2 HG3 GLN 2 -3.723 49.982 -8.571 16 HE21 GLN 2 HE21 GLN 2 -1.810 48.032 -10.767 17 HE22 GLN 2 HE22 GLN 2 -0.273 48.493 -10.260 18 H ILE 3 H ILE 3 -1.339 45.613 -6.455 19 HA ILE 3 HA ILE 3 -2.981 45.101 -4.079 20 HB ILE 3 HB ILE 3 -1.621 43.142 -3.498 21 HG12 ILE 3 HG12 ILE 3 -0.542 43.091 -6.331 22 HG13 ILE 3 HG13 ILE 3 0.443 43.527 -4.859 23 HG21 ILE 3 HG21 ILE 3 -3.928 43.052 -4.801 24 HG22 ILE 3 HG22 ILE 3 -3.057 41.613 -4.260 25 HG23 ILE 3 HG23 ILE 3 -3.016 42.041 -5.980 26 HD11 ILE 3 HD11 ILE 3 0.856 41.240 -5.645 27 HD12 ILE 3 HD12 ILE 3 -0.709 40.670 -5.109 28 HD13 ILE 3 HD13 ILE 3 0.511 41.386 -3.970 29 H PHE 4 H PHE 4 -1.949 45.433 -2.114 30 HA PHE 4 HA PHE 4 0.319 47.271 -2.329 31 HB2 PHE 4 HB2 PHE 4 -1.323 47.187 0.294 32 HB3 PHE 4 HB3 PHE 4 -0.301 48.373 -0.349 33 HD1 PHE 4 HD1 PHE 4 -1.101 48.930 -3.086 34 HD2 PHE 4 HD2 PHE 4 -3.599 47.927 0.143 35 HE1 PHE 4 HE1 PHE 4 -2.706 50.570 -3.886 36 HE2 PHE 4 HE2 PHE 4 -5.207 49.873 -0.510 37 HZ PHE 4 HZ PHE 4 -4.670 51.188 -2.467 38 H VAL 5 H VAL 5 2.321 46.338 -1.835 39 HA VAL 5 HA VAL 5 2.338 44.329 0.310 40 HB VAL 5 HB VAL 5 4.551 45.178 -1.636 41 HG11 VAL 5 HG11 VAL 5 4.375 42.604 0.072 42 HG12 VAL 5 HG12 VAL 5 5.449 43.961 0.540 43 HG13 VAL 5 HG13 VAL 5 5.571 43.130 -1.047 44 HG21 VAL 5 HG21 VAL 5 2.566 42.773 -1.964 45 HG22 VAL 5 HG22 VAL 5 4.055 43.146 -2.941 46 HG23 VAL 5 HG23 VAL 5 2.691 44.262 -2.846 47 H LYS 6 H LYS 6 3.178 44.514 2.240 48 HA LYS 6 HA LYS 6 4.127 47.211 3.037 49 HB2 LYS 6 HB2 LYS 6 2.896 45.073 4.748 50 HB3 LYS 6 HB3 LYS 6 3.250 46.656 5.328 51 HG2 LYS 6 HG2 LYS 6 1.105 45.810 3.341 52 HG3 LYS 6 HG3 LYS 6 0.812 46.570 4.905 53 HD2 LYS 6 HD2 LYS 6 2.258 48.045 2.580 54 HD3 LYS 6 HD3 LYS 6 0.587 48.251 3.196 55 HE2 LYS 6 HE2 LYS 6 1.813 48.789 5.482 56 HE3 LYS 6 HE3 LYS 6 3.242 49.052 4.557 57 HZ1 LYS 6 HZ1 LYS 6 1.651 50.827 5.006 58 HZ2 LYS 6 HZ2 LYS 6 0.730 50.233 3.696 59 HZ3 LYS 6 HZ3 LYS 6 2.318 50.811 3.462 60 H THR 7 H THR 7 6.483 47.197 3.219 61 HA THR 7 HA THR 7 7.921 44.833 4.071 62 HB THR 7 HB THR 7 9.856 46.003 4.310 63 HG1 THR 7 HG1 THR 7 10.212 48.005 4.625 64 HG21 THR 7 HG21 THR 7 8.336 47.550 2.137 65 HG22 THR 7 HG22 THR 7 8.986 45.950 1.921 66 HG23 THR 7 HG23 THR 7 10.092 47.333 2.166 67 H LEU 8 H LEU 8 9.298 44.961 6.072 68 HA LEU 8 HA LEU 8 7.615 44.488 8.204 69 HB2 LEU 8 HB2 LEU 8 9.612 43.186 7.812 70 HB3 LEU 8 HB3 LEU 8 10.673 44.529 8.005 71 HG LEU 8 HG LEU 8 10.120 44.444 10.493 72 HD11 LEU 8 HD11 LEU 8 8.851 42.309 11.273 73 HD12 LEU 8 HD12 LEU 8 8.100 42.291 9.647 74 HD13 LEU 8 HD13 LEU 8 7.848 43.677 10.778 75 HD21 LEU 8 HD21 LEU 8 10.800 41.610 9.400 76 HD22 LEU 8 HD22 LEU 8 11.273 42.339 10.991 77 HD23 LEU 8 HD23 LEU 8 11.927 42.979 9.525 78 H THR 9 H THR 9 9.751 47.127 7.325 79 HA THR 9 HA THR 9 8.908 48.631 9.751 80 HB THR 9 HB THR 9 10.829 50.248 9.331 81 HG1 THR 9 HG1 THR 9 12.359 49.740 7.791 82 HG21 THR 9 HG21 THR 9 12.532 48.829 10.246 83 HG22 THR 9 HG22 THR 9 11.797 47.337 9.511 84 HG23 THR 9 HG23 THR 9 10.914 48.200 10.710 85 H GLY 10 H GLY 10 7.620 48.433 7.144 86 HA2 GLY 10 HA2 GLY 10 5.518 49.511 7.031 87 HA3 GLY 10 HA3 GLY 10 6.287 51.014 7.509 88 H LYS 11 H LYS 11 8.014 49.536 4.768 89 HA LYS 11 HA LYS 11 7.096 51.863 3.415 90 HB2 LYS 11 HB2 LYS 11 9.259 51.751 3.120 91 HB3 LYS 11 HB3 LYS 11 9.384 50.028 3.092 92 HG2 LYS 11 HG2 LYS 11 8.645 49.934 0.608 93 HG3 LYS 11 HG3 LYS 11 8.479 51.732 0.651 94 HD2 LYS 11 HD2 LYS 11 10.835 52.044 0.749 95 HD3 LYS 11 HD3 LYS 11 11.080 50.398 1.366 96 HE2 LYS 11 HE2 LYS 11 10.575 49.319 -0.784 97 HE3 LYS 11 HE3 LYS 11 10.106 50.851 -1.444 98 HZ1 LYS 11 HZ1 LYS 11 12.036 51.790 -1.323 99 HZ2 LYS 11 HZ2 LYS 11 12.247 50.234 -1.989 100 HZ3 LYS 11 HZ3 LYS 11 12.876 50.507 -0.501 101 H THR 12 H THR 12 5.773 51.813 1.576 102 HA THR 12 HA THR 12 4.185 49.285 1.089 103 HB THR 12 HB THR 12 3.405 51.916 -0.095 104 HG1 THR 12 HG1 THR 12 3.481 51.861 2.381 105 HG21 THR 12 HG21 THR 12 1.281 50.752 -0.011 106 HG22 THR 12 HG22 THR 12 1.901 49.340 0.891 107 HG23 THR 12 HG23 THR 12 2.380 49.611 -0.806 108 H ILE 13 H ILE 13 4.570 48.241 -0.581 109 HA ILE 13 HA ILE 13 6.056 49.493 -2.830 110 HB ILE 13 HB ILE 13 6.241 46.727 -1.906 111 HG12 ILE 13 HG12 ILE 13 8.483 48.841 -2.065 112 HG13 ILE 13 HG13 ILE 13 7.560 48.478 -0.663 113 HG21 ILE 13 HG21 ILE 13 6.400 46.555 -4.406 114 HG22 ILE 13 HG22 ILE 13 8.025 46.377 -3.794 115 HG23 ILE 13 HG23 ILE 13 7.590 47.884 -4.523 116 HD11 ILE 13 HD11 ILE 13 8.170 46.068 -0.588 117 HD12 ILE 13 HD12 ILE 13 9.526 47.124 -0.358 118 HD13 ILE 13 HD13 ILE 13 9.319 46.399 -1.942 119 H THR 14 H THR 14 4.731 49.166 -4.768 120 HA THR 14 HA THR 14 2.157 47.791 -4.552 121 HB THR 14 HB THR 14 2.556 50.476 -6.138 122 HG1 THR 14 HG1 THR 14 2.951 50.869 -4.021 123 HG21 THR 14 HG21 THR 14 0.142 48.743 -5.128 124 HG22 THR 14 HG22 THR 14 0.641 48.897 -6.685 125 HG23 THR 14 HG23 THR 14 0.058 50.406 -5.886 126 H LEU 15 H LEU 15 1.815 46.426 -5.931 127 HA LEU 15 HA LEU 15 3.254 46.528 -8.476 128 HB2 LEU 15 HB2 LEU 15 2.095 44.021 -7.174 129 HB3 LEU 15 HB3 LEU 15 3.199 43.998 -8.455 130 HG LEU 15 HG LEU 15 3.869 44.930 -5.594 131 HD11 LEU 15 HD11 LEU 15 4.974 42.886 -5.317 132 HD12 LEU 15 HD12 LEU 15 4.624 42.466 -7.022 133 HD13 LEU 15 HD13 LEU 15 3.304 42.507 -5.840 134 HD21 LEU 15 HD21 LEU 15 5.497 45.977 -7.457 135 HD22 LEU 15 HD22 LEU 15 5.738 44.273 -7.996 136 HD23 LEU 15 HD23 LEU 15 6.365 44.772 -6.430 137 H GLU 16 H GLU 16 2.151 45.756 -10.346 138 HA GLU 16 HA GLU 16 -0.707 45.582 -10.429 139 HB2 GLU 16 HB2 GLU 16 0.451 47.330 -12.036 140 HB3 GLU 16 HB3 GLU 16 1.479 46.079 -12.666 141 HG2 GLU 16 HG2 GLU 16 -0.409 46.786 -14.069 142 HG3 GLU 16 HG3 GLU 16 -0.469 45.034 -13.767 143 H VAL 17 H VAL 17 -1.469 43.463 -10.531 144 HA VAL 17 HA VAL 17 0.284 41.436 -11.629 145 HB VAL 17 HB VAL 17 -0.211 39.978 -9.708 146 HG11 VAL 17 HG11 VAL 17 0.489 42.623 -8.461 147 HG12 VAL 17 HG12 VAL 17 1.595 41.797 -9.642 148 HG13 VAL 17 HG13 VAL 17 1.137 40.987 -8.087 149 HG21 VAL 17 HG21 VAL 17 -1.399 41.020 -7.681 150 HG22 VAL 17 HG22 VAL 17 -2.425 40.493 -9.004 151 HG23 VAL 17 HG23 VAL 17 -2.061 42.239 -8.667 152 H GLU 18 H GLU 18 -1.693 39.295 -11.701 153 HA GLU 18 HA GLU 18 -4.374 40.346 -11.948 154 HB2 GLU 18 HB2 GLU 18 -4.954 39.177 -13.848 155 HB3 GLU 18 HB3 GLU 18 -3.580 40.174 -14.319 156 HG2 GLU 18 HG2 GLU 18 -2.006 38.425 -14.179 157 HG3 GLU 18 HG3 GLU 18 -3.213 37.144 -13.742 158 HA PRO 19 HA PRO 19 -4.911 36.984 -9.257 159 HB2 PRO 19 HB2 PRO 19 -7.436 36.125 -10.534 160 HB3 PRO 19 HB3 PRO 19 -7.191 36.699 -8.876 161 HG2 PRO 19 HG2 PRO 19 -8.398 38.168 -10.662 162 HG3 PRO 19 HG3 PRO 19 -7.276 38.935 -9.451 163 HD2 PRO 19 HD2 PRO 19 -6.891 38.229 -12.390 164 HD3 PRO 19 HD3 PRO 19 -6.219 39.659 -11.648 165 H SER 20 H SER 20 -4.627 36.001 -12.552 166 HA SER 20 HA SER 20 -4.427 33.196 -12.075 167 HB2 SER 20 HB2 SER 20 -3.830 34.978 -14.467 168 HB3 SER 20 HB3 SER 20 -3.692 33.165 -14.527 169 HG SER 20 HG SER 20 -5.850 34.886 -14.535 170 H ASP 21 H ASP 21 -2.437 35.764 -11.564 171 HA ASP 21 HA ASP 21 0.023 34.514 -12.158 172 HB2 ASP 21 HB2 ASP 21 -0.606 36.863 -10.254 173 HB3 ASP 21 HB3 ASP 21 1.064 36.408 -10.680 174 H THR 22 H THR 22 1.482 33.598 -10.548 175 HA THR 22 HA THR 22 0.104 32.285 -8.279 176 HB THR 22 HB THR 22 1.445 30.538 -8.265 177 HG1 THR 22 HG1 THR 22 3.214 31.077 -10.245 178 HG21 THR 22 HG21 THR 22 -0.029 30.388 -10.066 179 HG22 THR 22 HG22 THR 22 1.505 29.543 -10.441 180 HG23 THR 22 HG23 THR 22 1.224 31.126 -11.200 181 H ILE 23 H ILE 23 1.754 31.985 -6.198 182 HA ILE 23 HA ILE 23 2.631 34.459 -5.605 183 HB ILE 23 HB ILE 23 3.630 32.040 -4.131 184 HG12 ILE 23 HG12 ILE 23 1.255 31.466 -4.637 185 HG13 ILE 23 HG13 ILE 23 1.572 31.762 -2.936 186 HG21 ILE 23 HG21 ILE 23 3.444 33.614 -2.249 187 HG22 ILE 23 HG22 ILE 23 2.408 34.682 -3.347 188 HG23 ILE 23 HG23 ILE 23 4.133 34.425 -3.651 189 HD11 ILE 23 HD11 ILE 23 0.255 34.016 -4.615 190 HD12 ILE 23 HD12 ILE 23 0.356 33.784 -2.892 191 HD13 ILE 23 HD13 ILE 23 -0.628 32.607 -3.844 192 H GLU 24 H GLU 24 4.549 31.665 -6.873 193 HA GLU 24 HA GLU 24 7.126 32.625 -6.694 194 HB2 GLU 24 HB2 GLU 24 5.747 30.947 -8.728 195 HB3 GLU 24 HB3 GLU 24 7.434 31.511 -9.020 196 HG2 GLU 24 HG2 GLU 24 6.470 29.908 -6.651 197 HG3 GLU 24 HG3 GLU 24 7.231 29.315 -8.163 198 H ASN 25 H ASN 25 4.602 33.638 -9.092 199 HA ASN 25 HA ASN 25 6.244 35.580 -10.386 200 HB2 ASN 25 HB2 ASN 25 3.297 36.058 -10.470 201 HB3 ASN 25 HB3 ASN 25 4.713 36.427 -11.527 202 HD21 ASN 25 HD21 ASN 25 6.007 34.261 -12.301 203 HD22 ASN 25 HD22 ASN 25 4.943 33.061 -12.778 204 H VAL 26 H VAL 26 4.408 35.808 -7.321 205 HA VAL 26 HA VAL 26 4.482 38.710 -7.389 206 HB VAL 26 HB VAL 26 3.626 36.973 -5.076 207 HG11 VAL 26 HG11 VAL 26 4.509 39.228 -4.480 208 HG12 VAL 26 HG12 VAL 26 2.741 39.056 -4.058 209 HG13 VAL 26 HG13 VAL 26 3.129 40.026 -5.459 210 HG21 VAL 26 HG21 VAL 26 2.062 38.719 -7.015 211 HG22 VAL 26 HG22 VAL 26 1.309 37.563 -5.875 212 HG23 VAL 26 HG23 VAL 26 2.200 36.971 -7.241 213 H LYS 27 H LYS 27 6.569 36.091 -6.093 214 HA LYS 27 HA LYS 27 8.273 37.868 -4.548 215 HB2 LYS 27 HB2 LYS 27 9.118 35.234 -5.962 216 HB3 LYS 27 HB3 LYS 27 9.940 36.017 -4.651 217 HG2 LYS 27 HG2 LYS 27 8.132 35.644 -2.979 218 HG3 LYS 27 HG3 LYS 27 7.060 35.093 -4.139 219 HD2 LYS 27 HD2 LYS 27 8.738 33.197 -4.840 220 HD3 LYS 27 HD3 LYS 27 9.523 33.722 -3.242 221 HE2 LYS 27 HE2 LYS 27 7.556 33.012 -2.102 222 HE3 LYS 27 HE3 LYS 27 6.682 32.643 -3.481 223 HZ1 LYS 27 HZ1 LYS 27 8.414 30.910 -4.077 224 HZ2 LYS 27 HZ2 LYS 27 7.658 30.548 -2.611 225 HZ3 LYS 27 HZ3 LYS 27 9.229 31.182 -2.680 226 H ALA 28 H ALA 28 8.237 36.788 -7.911 227 HA ALA 28 HA ALA 28 10.705 37.877 -8.892 228 HB1 ALA 28 HB1 ALA 28 9.765 37.158 -10.999 229 HB2 ALA 28 HB2 ALA 28 8.112 37.364 -10.388 230 HB3 ALA 28 HB3 ALA 28 9.081 36.043 -9.821 231 H LYS 29 H LYS 29 7.247 39.097 -9.162 232 HA LYS 29 HA LYS 29 7.868 41.520 -10.374 233 HB2 LYS 29 HB2 LYS 29 5.570 40.630 -8.509 234 HB3 LYS 29 HB3 LYS 29 5.442 42.142 -9.335 235 HG2 LYS 29 HG2 LYS 29 5.600 41.086 -11.535 236 HG3 LYS 29 HG3 LYS 29 5.706 39.489 -10.771 237 HD2 LYS 29 HD2 LYS 29 3.517 40.058 -9.540 238 HD3 LYS 29 HD3 LYS 29 3.550 41.477 -10.604 239 HE2 LYS 29 HE2 LYS 29 3.219 38.454 -11.267 240 HE3 LYS 29 HE3 LYS 29 1.977 39.712 -11.343 241 HZ1 LYS 29 HZ1 LYS 29 3.144 40.692 -13.233 242 HZ2 LYS 29 HZ2 LYS 29 2.997 39.068 -13.601 243 HZ3 LYS 29 HZ3 LYS 29 4.428 39.712 -13.067 244 H ILE 30 H ILE 30 7.944 40.704 -6.831 245 HA ILE 30 HA ILE 30 8.311 43.398 -5.992 246 HB ILE 30 HB ILE 30 8.942 40.721 -4.722 247 HG12 ILE 30 HG12 ILE 30 6.930 42.836 -3.836 248 HG13 ILE 30 HG13 ILE 30 6.551 41.494 -5.049 249 HG21 ILE 30 HG21 ILE 30 10.493 42.263 -3.690 250 HG22 ILE 30 HG22 ILE 30 9.221 42.095 -2.448 251 HG23 ILE 30 HG23 ILE 30 9.224 43.484 -3.574 252 HD11 ILE 30 HD11 ILE 30 7.213 41.049 -2.205 253 HD12 ILE 30 HD12 ILE 30 6.654 39.815 -3.393 254 HD13 ILE 30 HD13 ILE 30 5.614 41.179 -2.705 255 H GLN 31 H GLN 31 10.602 40.587 -6.678 256 HA GLN 31 HA GLN 31 12.980 41.904 -6.322 257 HB2 GLN 31 HB2 GLN 31 12.726 39.536 -6.638 258 HB3 GLN 31 HB3 GLN 31 11.914 39.833 -8.121 259 HG2 GLN 31 HG2 GLN 31 14.268 38.819 -8.254 260 HG3 GLN 31 HG3 GLN 31 13.925 40.102 -9.397 261 HE21 GLN 31 HE21 GLN 31 15.736 39.448 -6.270 262 HE22 GLN 31 HE22 GLN 31 16.789 40.779 -6.424 263 H ASP 32 H ASP 32 10.860 41.942 -9.220 264 HA ASP 32 HA ASP 32 12.627 43.383 -10.923 265 HB2 ASP 32 HB2 ASP 32 11.229 42.141 -12.108 266 HB3 ASP 32 HB3 ASP 32 9.779 42.470 -11.143 267 H LYS 33 H LYS 33 10.071 44.658 -8.948 268 HA LYS 33 HA LYS 33 10.748 47.449 -9.381 269 HB2 LYS 33 HB2 LYS 33 9.155 45.964 -7.361 270 HB3 LYS 33 HB3 LYS 33 9.384 47.720 -7.255 271 HG2 LYS 33 HG2 LYS 33 7.543 46.107 -8.923 272 HG3 LYS 33 HG3 LYS 33 7.368 47.649 -8.062 273 HD2 LYS 33 HD2 LYS 33 8.400 48.978 -9.583 274 HD3 LYS 33 HD3 LYS 33 9.055 47.536 -10.634 275 HE2 LYS 33 HE2 LYS 33 6.764 47.151 -11.413 276 HE3 LYS 33 HE3 LYS 33 6.104 48.437 -10.281 277 HZ1 LYS 33 HZ1 LYS 33 7.808 49.773 -11.639 278 HZ2 LYS 33 HZ2 LYS 33 6.252 49.680 -12.123 279 HZ3 LYS 33 HZ3 LYS 33 7.437 48.669 -12.873 280 H GLU 34 H GLU 34 11.455 45.338 -6.630 281 HA GLU 34 HA GLU 34 13.283 47.473 -5.600 282 HB2 GLU 34 HB2 GLU 34 11.511 45.439 -4.012 283 HB3 GLU 34 HB3 GLU 34 12.550 46.702 -3.426 284 HG2 GLU 34 HG2 GLU 34 10.166 47.235 -5.222 285 HG3 GLU 34 HG3 GLU 34 10.179 47.332 -3.406 286 H GLY 35 H GLY 35 14.023 44.580 -6.800 287 HA2 GLY 35 HA2 GLY 35 15.965 43.624 -6.664 288 HA3 GLY 35 HA3 GLY 35 16.474 44.691 -5.419 289 H ILE 36 H ILE 36 13.728 42.894 -4.558 290 HA ILE 36 HA ILE 36 15.267 41.669 -2.440 291 HB ILE 36 HB ILE 36 12.351 40.957 -2.649 292 HG12 ILE 36 HG12 ILE 36 12.255 43.211 -3.015 293 HG13 ILE 36 HG13 ILE 36 11.756 42.870 -1.273 294 HG21 ILE 36 HG21 ILE 36 12.586 40.903 -0.090 295 HG22 ILE 36 HG22 ILE 36 14.261 41.203 -0.320 296 HG23 ILE 36 HG23 ILE 36 13.502 39.730 -1.071 297 HD11 ILE 36 HD11 ILE 36 12.915 44.801 -1.130 298 HD12 ILE 36 HD12 ILE 36 14.176 44.454 -2.297 299 HD13 ILE 36 HD13 ILE 36 14.222 43.664 -0.682 300 HA PRO 37 HA PRO 37 15.872 37.978 -4.628 301 HB2 PRO 37 HB2 PRO 37 16.869 36.477 -2.137 302 HB3 PRO 37 HB3 PRO 37 17.690 36.814 -3.638 303 HG2 PRO 37 HG2 PRO 37 18.102 38.282 -1.221 304 HG3 PRO 37 HG3 PRO 37 18.402 39.055 -2.742 305 HD2 PRO 37 HD2 PRO 37 15.775 39.182 -1.162 306 HD3 PRO 37 HD3 PRO 37 16.714 40.501 -1.915 307 HA PRO 38 HA PRO 38 12.084 35.697 -3.910 308 HB2 PRO 38 HB2 PRO 38 13.506 33.752 -5.929 309 HB3 PRO 38 HB3 PRO 38 11.847 34.314 -5.831 310 HG2 PRO 38 HG2 PRO 38 13.688 35.507 -7.569 311 HG3 PRO 38 HG3 PRO 38 12.544 36.567 -6.561 312 HD2 PRO 38 HD2 PRO 38 15.409 35.886 -5.981 313 HD3 PRO 38 HD3 PRO 38 14.497 37.473 -5.952 314 H ASP 39 H ASP 39 15.186 33.938 -3.574 315 HA ASP 39 HA ASP 39 13.983 31.697 -2.181 316 HB2 ASP 39 HB2 ASP 39 16.103 31.474 -3.204 317 HB3 ASP 39 HB3 ASP 39 16.836 32.788 -2.210 318 H GLN 40 H GLN 40 15.062 34.888 -0.950 319 HA GLN 40 HA GLN 40 14.882 34.137 1.707 320 HB2 GLN 40 HB2 GLN 40 15.743 36.770 0.428 321 HB3 GLN 40 HB3 GLN 40 15.876 36.254 2.113 322 HG2 GLN 40 HG2 GLN 40 17.229 34.314 1.651 323 HG3 GLN 40 HG3 GLN 40 17.128 34.578 -0.048 324 HE21 GLN 40 HE21 GLN 40 19.539 34.824 -0.213 325 HE22 GLN 40 HE22 GLN 40 20.376 36.179 0.281 326 H GLN 41 H GLN 41 12.836 35.739 -0.508 327 HA GLN 41 HA GLN 41 11.184 37.346 1.270 328 HB2 GLN 41 HB2 GLN 41 10.577 36.031 -1.454 329 HB3 GLN 41 HB3 GLN 41 9.418 37.109 -0.591 330 HG2 GLN 41 HG2 GLN 41 11.362 38.942 -0.783 331 HG3 GLN 41 HG3 GLN 41 12.162 37.825 -1.841 332 HE21 GLN 41 HE21 GLN 41 11.993 38.731 -3.768 333 HE22 GLN 41 HE22 GLN 41 10.468 38.961 -4.549 334 H ARG 42 H ARG 42 9.480 37.046 2.588 335 HA ARG 42 HA ARG 42 8.161 34.431 2.519 336 HB2 ARG 42 HB2 ARG 42 9.332 36.078 4.897 337 HB3 ARG 42 HB3 ARG 42 8.197 34.756 5.150 338 HG2 ARG 42 HG2 ARG 42 11.021 34.488 4.105 339 HG3 ARG 42 HG3 ARG 42 10.455 34.274 5.792 340 HD2 ARG 42 HD2 ARG 42 10.937 32.129 4.819 341 HD3 ARG 42 HD3 ARG 42 9.153 32.368 5.199 342 HE ARG 42 HE ARG 42 9.953 33.145 2.333 343 HH11 ARG 42 HH11 ARG 42 8.772 30.452 4.290 344 HH12 ARG 42 HH12 ARG 42 8.336 29.609 2.837 345 HH21 ARG 42 HH21 ARG 42 9.514 31.845 0.577 346 HH22 ARG 42 HH22 ARG 42 8.919 30.252 0.920 347 H LEU 43 H LEU 43 6.204 34.928 1.916 348 HA LEU 43 HA LEU 43 5.154 37.617 2.405 349 HB2 LEU 43 HB2 LEU 43 4.433 35.508 0.381 350 HB3 LEU 43 HB3 LEU 43 3.470 36.996 0.499 351 HG LEU 43 HG LEU 43 6.438 36.527 -0.141 352 HD11 LEU 43 HD11 LEU 43 5.708 37.253 -2.508 353 HD12 LEU 43 HD12 LEU 43 4.095 37.560 -1.858 354 HD13 LEU 43 HD13 LEU 43 4.718 35.898 -1.795 355 HD21 LEU 43 HD21 LEU 43 6.378 38.617 0.977 356 HD22 LEU 43 HD22 LEU 43 5.001 39.217 -0.108 357 HD23 LEU 43 HD23 LEU 43 6.666 38.919 -0.722 358 H ILE 44 H ILE 44 3.348 37.918 3.798 359 HA ILE 44 HA ILE 44 1.895 35.606 4.790 360 HB ILE 44 HB ILE 44 2.205 38.366 5.935 361 HG12 ILE 44 HG12 ILE 44 4.497 37.808 5.784 362 HG13 ILE 44 HG13 ILE 44 3.940 37.588 7.445 363 HG21 ILE 44 HG21 ILE 44 1.435 37.439 7.989 364 HG22 ILE 44 HG22 ILE 44 1.626 35.806 7.599 365 HG23 ILE 44 HG23 ILE 44 0.354 36.800 6.791 366 HD11 ILE 44 HD11 ILE 44 3.832 35.129 7.249 367 HD12 ILE 44 HD12 ILE 44 5.406 35.741 6.914 368 HD13 ILE 44 HD13 ILE 44 4.428 35.228 5.541 369 H PHE 45 H PHE 45 -0.279 35.679 4.604 370 HA PHE 45 HA PHE 45 -1.821 38.065 3.890 371 HB2 PHE 45 HB2 PHE 45 -1.386 36.954 1.628 372 HB3 PHE 45 HB3 PHE 45 -2.099 35.401 2.360 373 HD1 PHE 45 HD1 PHE 45 -3.028 39.059 2.317 374 HD2 PHE 45 HD2 PHE 45 -4.107 34.964 1.569 375 HE1 PHE 45 HE1 PHE 45 -5.243 39.784 1.606 376 HE2 PHE 45 HE2 PHE 45 -6.381 35.669 0.822 377 HZ PHE 45 HZ PHE 45 -6.829 38.173 0.639 378 H ALA 46 H ALA 46 -3.588 38.204 5.234 379 HA ALA 46 HA ALA 46 -4.821 37.758 7.154 380 HB1 ALA 46 HB1 ALA 46 -6.115 35.613 7.238 381 HB2 ALA 46 HB2 ALA 46 -5.130 34.783 6.103 382 HB3 ALA 46 HB3 ALA 46 -6.138 36.163 5.508 383 H GLY 47 H GLY 47 -2.006 37.545 7.526 384 HA2 GLY 47 HA2 GLY 47 -0.610 36.910 9.246 385 HA3 GLY 47 HA3 GLY 47 -2.029 36.307 10.123 386 H LYS 48 H LYS 48 -1.469 34.629 7.101 387 HA LYS 48 HA LYS 48 0.419 32.810 8.361 388 HB2 LYS 48 HB2 LYS 48 -1.083 30.832 7.527 389 HB3 LYS 48 HB3 LYS 48 -1.628 31.894 8.830 390 HG2 LYS 48 HG2 LYS 48 -3.171 32.934 7.202 391 HG3 LYS 48 HG3 LYS 48 -2.399 32.140 5.854 392 HD2 LYS 48 HD2 LYS 48 -3.048 29.996 6.821 393 HD3 LYS 48 HD3 LYS 48 -3.720 30.573 8.318 394 HE2 LYS 48 HE2 LYS 48 -5.719 30.463 7.212 395 HE3 LYS 48 HE3 LYS 48 -5.243 32.050 6.924 396 HZ1 LYS 48 HZ1 LYS 48 -5.033 31.593 4.623 397 HZ2 LYS 48 HZ2 LYS 48 -5.850 30.102 5.045 398 HZ3 LYS 48 HZ3 LYS 48 -4.177 30.211 4.985 399 H GLN 49 H GLN 49 1.434 31.552 6.873 400 HA GLN 49 HA GLN 49 2.687 32.464 4.692 401 HB2 GLN 49 HB2 GLN 49 3.367 30.753 6.309 402 HB3 GLN 49 HB3 GLN 49 2.322 29.473 5.576 403 HG2 GLN 49 HG2 GLN 49 4.951 29.552 5.093 404 HG3 GLN 49 HG3 GLN 49 3.927 29.422 3.661 405 HE21 GLN 49 HE21 GLN 49 5.600 31.863 5.779 406 HE22 GLN 49 HE22 GLN 49 5.844 32.927 4.467 407 H LEU 50 H LEU 50 3.070 31.458 2.620 408 HA LEU 50 HA LEU 50 0.497 31.027 1.055 409 HB2 LEU 50 HB2 LEU 50 2.505 33.053 0.188 410 HB3 LEU 50 HB3 LEU 50 1.165 32.448 -0.803 411 HG LEU 50 HG LEU 50 0.630 33.907 1.777 412 HD11 LEU 50 HD11 LEU 50 0.770 34.742 -1.129 413 HD12 LEU 50 HD12 LEU 50 1.839 35.386 0.117 414 HD13 LEU 50 HD13 LEU 50 0.049 35.806 0.196 415 HD21 LEU 50 HD21 LEU 50 -1.599 34.215 0.735 416 HD22 LEU 50 HD22 LEU 50 -1.324 32.483 0.887 417 HD23 LEU 50 HD23 LEU 50 -1.081 33.268 -0.687 418 H GLU 51 H GLU 51 0.460 29.472 -0.387 419 HA GLU 51 HA GLU 51 2.804 27.840 -0.456 420 HB2 GLU 51 HB2 GLU 51 0.061 27.475 -1.422 421 HB3 GLU 51 HB3 GLU 51 1.320 26.299 -1.987 422 HG2 GLU 51 HG2 GLU 51 1.794 25.752 0.558 423 HG3 GLU 51 HG3 GLU 51 0.658 27.013 0.931 424 H ASP 52 H ASP 52 4.211 27.698 -2.094 425 HA ASP 52 HA ASP 52 4.507 29.674 -3.936 426 HB2 ASP 52 HB2 ASP 52 5.673 26.794 -3.779 427 HB3 ASP 52 HB3 ASP 52 6.395 27.941 -4.947 428 H GLY 53 H GLY 53 2.945 26.714 -4.243 429 HA2 GLY 53 HA2 GLY 53 2.700 26.527 -7.116 430 HA3 GLY 53 HA3 GLY 53 1.952 25.619 -5.819 431 H ARG 54 H ARG 54 0.808 28.471 -4.918 432 HA ARG 54 HA ARG 54 -1.756 27.849 -6.189 433 HB2 ARG 54 HB2 ARG 54 -0.760 28.956 -3.607 434 HB3 ARG 54 HB3 ARG 54 -2.424 29.389 -4.116 435 HG2 ARG 54 HG2 ARG 54 -1.263 26.512 -3.673 436 HG3 ARG 54 HG3 ARG 54 -2.261 27.424 -2.529 437 HD2 ARG 54 HD2 ARG 54 -4.000 27.723 -4.256 438 HD3 ARG 54 HD3 ARG 54 -3.391 26.434 -5.282 439 HE ARG 54 HE ARG 54 -3.664 25.488 -2.568 440 HH11 ARG 54 HH11 ARG 54 -5.860 26.525 -5.353 441 HH12 ARG 54 HH12 ARG 54 -7.014 25.521 -4.604 442 HH21 ARG 54 HH21 ARG 54 -5.261 24.089 -2.267 443 HH22 ARG 54 HH22 ARG 54 -6.762 24.104 -3.098 444 H THR 55 H THR 55 -2.815 29.198 -7.444 445 HA THR 55 HA THR 55 -1.775 31.682 -8.107 446 HB THR 55 HB THR 55 -4.142 31.912 -9.347 447 HG1 THR 55 HG1 THR 55 -4.192 29.193 -8.613 448 HG21 THR 55 HG21 THR 55 -2.106 31.361 -10.473 449 HG22 THR 55 HG22 THR 55 -3.394 30.177 -10.953 450 HG23 THR 55 HG23 THR 55 -2.128 29.691 -9.845 451 H LEU 56 H LEU 56 -3.136 33.835 -7.851 452 HA LEU 56 HA LEU 56 -3.763 34.489 -5.148 453 HB2 LEU 56 HB2 LEU 56 -3.726 36.130 -7.768 454 HB3 LEU 56 HB3 LEU 56 -3.963 36.735 -6.159 455 HG LEU 56 HG LEU 56 -1.422 35.479 -6.965 456 HD11 LEU 56 HD11 LEU 56 -0.596 37.786 -7.262 457 HD12 LEU 56 HD12 LEU 56 -1.901 38.535 -6.330 458 HD13 LEU 56 HD13 LEU 56 -2.243 37.862 -7.983 459 HD21 LEU 56 HD21 LEU 56 -2.136 37.138 -4.521 460 HD22 LEU 56 HD22 LEU 56 -0.512 36.484 -4.882 461 HD23 LEU 56 HD23 LEU 56 -1.954 35.441 -4.489 462 H SER 57 H SER 57 -5.459 33.643 -7.980 463 HA SER 57 HA SER 57 -8.011 34.527 -6.929 464 HB2 SER 57 HB2 SER 57 -8.941 33.043 -8.910 465 HB3 SER 57 HB3 SER 57 -7.829 34.322 -9.273 466 HG SER 57 HG SER 57 -6.800 32.720 -10.152 467 H ASP 58 H ASP 58 -6.198 31.615 -6.524 468 HA ASP 58 HA ASP 58 -8.364 30.011 -5.576 469 HB2 ASP 58 HB2 ASP 58 -5.352 29.817 -5.311 470 HB3 ASP 58 HB3 ASP 58 -6.315 28.616 -4.399 471 H TYR 59 H TYR 59 -6.306 32.440 -4.181 472 HA TYR 59 HA TYR 59 -7.310 31.935 -1.490 473 HB2 TYR 59 HB2 TYR 59 -5.164 33.856 -2.621 474 HB3 TYR 59 HB3 TYR 59 -5.640 33.963 -0.882 475 HD1 TYR 59 HD1 TYR 59 -3.427 32.761 -3.175 476 HD2 TYR 59 HD2 TYR 59 -5.284 31.729 0.469 477 HE1 TYR 59 HE1 TYR 59 -1.641 30.990 -2.844 478 HE2 TYR 59 HE2 TYR 59 -3.585 29.857 0.799 479 HH TYR 59 HH TYR 59 -1.793 28.967 0.078 480 H ASN 60 H ASN 60 -8.068 33.671 -4.098 481 HA ASN 60 HA ASN 60 -9.561 35.339 -4.714 482 HB2 ASN 60 HB2 ASN 60 -10.676 35.064 -1.982 483 HB3 ASN 60 HB3 ASN 60 -11.470 36.002 -3.267 484 HD21 ASN 60 HD21 ASN 60 -11.439 32.691 -2.017 485 HD22 ASN 60 HD22 ASN 60 -12.211 32.036 -3.389 486 H ILE 61 H ILE 61 -6.843 36.208 -3.891 487 HA ILE 61 HA ILE 61 -7.201 38.817 -2.922 488 HB ILE 61 HB ILE 61 -5.204 37.208 -4.424 489 HG12 ILE 61 HG12 ILE 61 -5.253 39.151 -2.110 490 HG13 ILE 61 HG13 ILE 61 -5.439 37.344 -2.018 491 HG21 ILE 61 HG21 ILE 61 -3.649 38.984 -5.032 492 HG22 ILE 61 HG22 ILE 61 -4.549 40.241 -4.193 493 HG23 ILE 61 HG23 ILE 61 -5.166 39.440 -5.726 494 HD11 ILE 61 HD11 ILE 61 -3.220 37.006 -2.798 495 HD12 ILE 61 HD12 ILE 61 -3.263 37.984 -1.208 496 HD13 ILE 61 HD13 ILE 61 -2.835 38.742 -2.843 497 H GLN 62 H GLN 62 -7.488 40.683 -3.723 498 HA GLN 62 HA GLN 62 -8.778 40.930 -6.391 499 HB2 GLN 62 HB2 GLN 62 -9.974 42.025 -3.875 500 HB3 GLN 62 HB3 GLN 62 -10.643 42.331 -5.490 501 HG2 GLN 62 HG2 GLN 62 -10.958 39.860 -5.878 502 HG3 GLN 62 HG3 GLN 62 -10.492 39.450 -4.240 503 HE21 GLN 62 HE21 GLN 62 -12.842 41.204 -6.169 504 HE22 GLN 62 HE22 GLN 62 -13.955 41.477 -4.877 505 H LYS 63 H LYS 63 -9.276 43.610 -6.629 506 HA LYS 63 HA LYS 63 -6.934 44.936 -6.354 507 HB2 LYS 63 HB2 LYS 63 -8.119 47.023 -6.923 508 HB3 LYS 63 HB3 LYS 63 -8.475 45.549 -7.910 509 HG2 LYS 63 HG2 LYS 63 -10.636 45.221 -6.845 510 HG3 LYS 63 HG3 LYS 63 -10.364 46.459 -5.682 511 HD2 LYS 63 HD2 LYS 63 -10.289 48.201 -7.610 512 HD3 LYS 63 HD3 LYS 63 -10.762 46.918 -8.711 513 HE2 LYS 63 HE2 LYS 63 -12.708 48.155 -8.292 514 HE3 LYS 63 HE3 LYS 63 -12.875 46.559 -7.446 515 HZ1 LYS 63 HZ1 LYS 63 -12.927 49.149 -6.209 516 HZ2 LYS 63 HZ2 LYS 63 -11.824 48.051 -5.487 517 HZ3 LYS 63 HZ3 LYS 63 -13.367 47.618 -5.726 518 H GLU 64 H GLU 64 -5.750 46.042 -4.806 519 HA GLU 64 HA GLU 64 -5.182 47.259 -3.101 520 HB2 GLU 64 HB2 GLU 64 -8.112 47.757 -2.383 521 HB3 GLU 64 HB3 GLU 64 -6.797 48.575 -1.628 522 HG2 GLU 64 HG2 GLU 64 -6.095 49.642 -3.788 523 HG3 GLU 64 HG3 GLU 64 -7.442 48.798 -4.662 524 H SER 65 H SER 65 -5.895 44.361 -3.087 525 HA SER 65 HA SER 65 -6.000 43.529 -0.265 526 HB2 SER 65 HB2 SER 65 -4.652 42.401 -2.846 527 HB3 SER 65 HB3 SER 65 -4.648 41.544 -1.267 528 HG SER 65 HG SER 65 -6.758 42.132 -2.887 529 H THR 66 H THR 66 -4.534 43.196 1.229 530 HA THR 66 HA THR 66 -2.048 44.616 0.702 531 HB THR 66 HB THR 66 -3.551 44.342 3.299 532 HG1 THR 66 HG1 THR 66 -4.667 45.701 2.064 533 HG21 THR 66 HG21 THR 66 -1.112 45.952 2.480 534 HG22 THR 66 HG22 THR 66 -1.228 44.637 3.746 535 HG23 THR 66 HG23 THR 66 -2.117 46.239 3.980 536 H LEU 67 H LEU 67 -0.359 43.280 0.610 537 HA LEU 67 HA LEU 67 -0.311 40.859 2.322 538 HB2 LEU 67 HB2 LEU 67 1.483 41.494 -0.009 539 HB3 LEU 67 HB3 LEU 67 1.372 39.973 0.947 540 HG LEU 67 HG LEU 67 -0.745 41.195 -0.847 541 HD11 LEU 67 HD11 LEU 67 1.089 38.825 -1.249 542 HD12 LEU 67 HD12 LEU 67 1.199 40.400 -2.172 543 HD13 LEU 67 HD13 LEU 67 -0.218 39.248 -2.343 544 HD21 LEU 67 HD21 LEU 67 -1.821 39.002 -0.453 545 HD22 LEU 67 HD22 LEU 67 -1.631 39.842 1.128 546 HD23 LEU 67 HD23 LEU 67 -0.509 38.508 0.651 547 H HIS 68 H HIS 68 1.790 40.419 3.518 548 HA HIS 68 HA HIS 68 3.360 42.817 3.955 549 HB2 HIS 68 HB2 HIS 68 2.582 40.812 6.126 550 HB3 HIS 68 HB3 HIS 68 3.537 42.312 6.356 551 HD1 HIS 68 HD1 HIS 68 2.257 44.016 7.414 552 HD2 HIS 68 HD2 HIS 68 -0.223 41.350 5.414 553 HE1 HIS 68 HE1 HIS 68 -0.139 44.537 8.069 554 H LEU 69 H LEU 69 5.441 42.640 3.343 555 HA LEU 69 HA LEU 69 6.531 40.018 2.864 556 HB2 LEU 69 HB2 LEU 69 6.645 41.625 1.115 557 HB3 LEU 69 HB3 LEU 69 7.282 42.916 2.196 558 HG LEU 69 HG LEU 69 9.504 41.517 2.321 559 HD11 LEU 69 HD11 LEU 69 8.538 39.188 1.625 560 HD12 LEU 69 HD12 LEU 69 9.904 39.821 1.008 561 HD13 LEU 69 HD13 LEU 69 8.552 39.838 -0.105 562 HD21 LEU 69 HD21 LEU 69 10.387 41.951 0.322 563 HD22 LEU 69 HD22 LEU 69 9.457 43.359 0.980 564 HD23 LEU 69 HD23 LEU 69 8.841 42.444 -0.405 565 H VAL 70 H VAL 70 8.405 39.169 3.732 566 HA VAL 70 HA VAL 70 9.549 40.559 6.013 567 HB VAL 70 HB VAL 70 8.149 37.814 5.882 568 HG11 VAL 70 HG11 VAL 70 9.939 38.661 8.128 569 HG12 VAL 70 HG12 VAL 70 10.527 37.512 6.940 570 HG13 VAL 70 HG13 VAL 70 9.159 37.062 7.864 571 HG21 VAL 70 HG21 VAL 70 7.883 40.329 7.684 572 HG22 VAL 70 HG22 VAL 70 7.199 38.721 8.094 573 HG23 VAL 70 HG23 VAL 70 6.586 39.540 6.668 574 H LEU 71 H LEU 71 11.932 40.089 5.802 575 HA LEU 71 HA LEU 71 12.830 38.251 3.820 576 HB2 LEU 71 HB2 LEU 71 14.351 40.142 5.661 577 HB3 LEU 71 HB3 LEU 71 15.161 38.857 4.871 578 HG LEU 71 HG LEU 71 15.379 40.950 3.643 579 HD11 LEU 71 HD11 LEU 71 14.154 38.761 1.951 580 HD12 LEU 71 HD12 LEU 71 15.843 38.907 2.532 581 HD13 LEU 71 HD13 LEU 71 15.132 40.166 1.461 582 HD21 LEU 71 HD21 LEU 71 13.541 41.880 2.298 583 HD22 LEU 71 HD22 LEU 71 12.818 41.691 3.884 584 HD23 LEU 71 HD23 LEU 71 12.423 40.501 2.606 585 H ARG 72 H ARG 72 13.091 36.223 4.310 586 HA ARG 72 HA ARG 72 12.704 34.710 6.342 587 HB2 ARG 72 HB2 ARG 72 13.399 33.900 4.114 588 HB3 ARG 72 HB3 ARG 72 15.114 34.414 4.324 589 HG2 ARG 72 HG2 ARG 72 15.602 32.803 6.061 590 HG3 ARG 72 HG3 ARG 72 13.948 32.259 6.152 591 HD2 ARG 72 HD2 ARG 72 14.731 30.530 4.896 592 HD3 ARG 72 HD3 ARG 72 13.860 31.672 3.833 593 HE ARG 72 HE ARG 72 16.769 32.104 4.112 594 HH11 ARG 72 HH11 ARG 72 14.487 30.264 2.273 595 HH12 ARG 72 HH12 ARG 72 15.487 30.267 0.810 596 HH21 ARG 72 HH21 ARG 72 18.126 31.964 2.332 597 HH22 ARG 72 HH22 ARG 72 17.601 31.087 0.919 598 H LEU 73 H LEU 73 13.110 33.955 8.058 599 HA LEU 73 HA LEU 73 15.606 34.524 9.548 600 HB2 LEU 73 HB2 LEU 73 13.655 35.533 10.612 601 HB3 LEU 73 HB3 LEU 73 12.757 34.006 10.389 602 HG LEU 73 HG LEU 73 14.213 32.927 12.142 603 HD11 LEU 73 HD11 LEU 73 16.058 34.177 13.386 604 HD12 LEU 73 HD12 LEU 73 15.787 35.597 12.319 605 HD13 LEU 73 HD13 LEU 73 16.415 34.056 11.616 606 HD21 LEU 73 HD21 LEU 73 13.722 34.301 14.143 607 HD22 LEU 73 HD22 LEU 73 12.292 34.127 12.979 608 HD23 LEU 73 HD23 LEU 73 13.328 35.640 12.945 609 H ARG 74 H ARG 74 16.731 32.848 10.420 610 HA ARG 74 HA ARG 74 16.044 30.275 9.278 611 HB2 ARG 74 HB2 ARG 74 18.736 31.117 10.404 612 HB3 ARG 74 HB3 ARG 74 18.282 29.509 9.638 613 HG2 ARG 74 HG2 ARG 74 18.373 32.200 8.180 614 HG3 ARG 74 HG3 ARG 74 19.823 31.126 8.218 615 HD2 ARG 74 HD2 ARG 74 18.418 29.239 7.198 616 HD3 ARG 74 HD3 ARG 74 17.092 30.434 7.018 617 HE ARG 74 HE ARG 74 19.200 31.748 5.828 618 HH11 ARG 74 HH11 ARG 74 17.352 28.803 5.025 619 HH12 ARG 74 HH12 ARG 74 18.082 28.732 3.518 620 HH21 ARG 74 HH21 ARG 74 20.547 31.133 4.097 621 HH22 ARG 74 HH22 ARG 74 19.877 29.878 3.038 622 H GLY 75 H GLY 75 15.926 28.537 10.837 623 HA2 GLY 75 HA2 GLY 75 14.540 28.719 13.155 624 HA3 GLY 75 HA3 GLY 75 15.498 27.368 12.563 625 H GLY 76 H GLY 76 14.831 28.139 15.243 626 HA2 GLY 76 HA2 GLY 76 15.949 27.413 17.033 627 HA3 GLY 76 HA3 GLY 76 17.524 27.543 16.263 Start of MODEL 13 1 H MET 1 HT1 MET 1 -4.281 44.330 -12.480 2 HA MET 1 HA MET 1 -5.436 45.623 -11.113 3 HB2 MET 1 HB2 MET 1 -6.749 44.805 -9.140 4 HB3 MET 1 HB3 MET 1 -7.433 44.202 -10.709 5 HG2 MET 1 HG2 MET 1 -7.575 42.379 -9.196 6 HG3 MET 1 HG3 MET 1 -6.361 42.059 -10.516 7 HE1 MET 1 HE1 MET 1 -5.815 39.888 -8.623 8 HE2 MET 1 HE2 MET 1 -6.997 40.691 -7.688 9 HE3 MET 1 HE3 MET 1 -5.337 40.311 -6.958 10 H GLN 2 H GLN 2 -5.024 46.568 -8.754 11 HA GLN 2 HA GLN 2 -2.350 45.929 -8.207 12 HB2 GLN 2 HB2 GLN 2 -2.296 47.750 -6.658 13 HB3 GLN 2 HB3 GLN 2 -2.942 48.214 -8.217 14 HG2 GLN 2 HG2 GLN 2 -4.930 47.434 -5.953 15 HG3 GLN 2 HG3 GLN 2 -4.257 49.058 -6.007 16 HE21 GLN 2 HE21 GLN 2 -5.281 50.518 -7.575 17 HE22 GLN 2 HE22 GLN 2 -6.725 49.873 -8.329 18 H ILE 3 H ILE 3 -1.366 45.032 -6.441 19 HA ILE 3 HA ILE 3 -2.978 44.390 -4.144 20 HB ILE 3 HB ILE 3 -1.506 42.470 -3.585 21 HG12 ILE 3 HG12 ILE 3 -0.395 42.653 -6.439 22 HG13 ILE 3 HG13 ILE 3 0.472 43.334 -5.115 23 HG21 ILE 3 HG21 ILE 3 -2.482 40.811 -4.931 24 HG22 ILE 3 HG22 ILE 3 -2.800 41.862 -6.339 25 HG23 ILE 3 HG23 ILE 3 -3.717 42.050 -4.858 26 HD11 ILE 3 HD11 ILE 3 0.454 41.129 -3.970 27 HD12 ILE 3 HD12 ILE 3 1.371 41.080 -5.549 28 HD13 ILE 3 HD13 ILE 3 -0.264 40.383 -5.359 29 H PHE 4 H PHE 4 -1.973 45.282 -2.122 30 HA PHE 4 HA PHE 4 0.228 47.141 -2.818 31 HB2 PHE 4 HB2 PHE 4 -1.883 47.016 -0.555 32 HB3 PHE 4 HB3 PHE 4 -0.678 48.370 -0.725 33 HD1 PHE 4 HD1 PHE 4 -0.885 48.445 -3.928 34 HD2 PHE 4 HD2 PHE 4 -3.731 48.568 -0.630 35 HE1 PHE 4 HE1 PHE 4 -2.198 50.048 -5.095 36 HE2 PHE 4 HE2 PHE 4 -5.124 50.079 -2.010 37 HZ PHE 4 HZ PHE 4 -4.391 50.811 -4.235 38 H VAL 5 H VAL 5 2.186 46.553 -2.013 39 HA VAL 5 HA VAL 5 2.054 44.342 -0.017 40 HB VAL 5 HB VAL 5 3.838 44.384 -2.542 41 HG11 VAL 5 HG11 VAL 5 5.142 43.284 -0.810 42 HG12 VAL 5 HG12 VAL 5 4.331 42.070 -1.652 43 HG13 VAL 5 HG13 VAL 5 3.648 42.553 0.047 44 HG21 VAL 5 HG21 VAL 5 1.736 43.879 -3.102 45 HG22 VAL 5 HG22 VAL 5 1.401 42.824 -1.627 46 HG23 VAL 5 HG23 VAL 5 2.628 42.401 -2.936 47 H LYS 6 H LYS 6 3.352 44.394 1.627 48 HA LYS 6 HA LYS 6 4.791 46.852 2.074 49 HB2 LYS 6 HB2 LYS 6 3.724 44.878 4.151 50 HB3 LYS 6 HB3 LYS 6 4.777 46.296 4.538 51 HG2 LYS 6 HG2 LYS 6 2.046 46.460 3.219 52 HG3 LYS 6 HG3 LYS 6 2.206 46.753 4.917 53 HD2 LYS 6 HD2 LYS 6 3.369 48.257 2.638 54 HD3 LYS 6 HD3 LYS 6 2.029 48.803 3.560 55 HE2 LYS 6 HE2 LYS 6 4.749 48.648 4.897 56 HE3 LYS 6 HE3 LYS 6 4.076 50.064 4.067 57 HZ1 LYS 6 HZ1 LYS 6 2.287 50.136 5.690 58 HZ2 LYS 6 HZ2 LYS 6 3.823 49.984 6.393 59 HZ3 LYS 6 HZ3 LYS 6 2.816 48.679 6.368 60 H THR 7 H THR 7 7.015 46.955 2.100 61 HA THR 7 HA THR 7 8.620 44.570 2.340 62 HB THR 7 HB THR 7 10.501 46.274 1.890 63 HG1 THR 7 HG1 THR 7 10.282 48.130 2.135 64 HG21 THR 7 HG21 THR 7 9.066 45.438 -0.095 65 HG22 THR 7 HG22 THR 7 9.859 47.053 -0.429 66 HG23 THR 7 HG23 THR 7 8.187 47.004 0.121 67 H LEU 8 H LEU 8 10.305 44.326 3.836 68 HA LEU 8 HA LEU 8 10.082 44.878 6.378 69 HB2 LEU 8 HB2 LEU 8 12.661 44.463 5.012 70 HB3 LEU 8 HB3 LEU 8 12.262 44.316 6.795 71 HG LEU 8 HG LEU 8 11.165 42.871 4.395 72 HD11 LEU 8 HD11 LEU 8 12.552 41.070 5.183 73 HD12 LEU 8 HD12 LEU 8 12.964 42.006 6.634 74 HD13 LEU 8 HD13 LEU 8 13.682 42.522 5.082 75 HD21 LEU 8 HD21 LEU 8 10.181 41.189 5.939 76 HD22 LEU 8 HD22 LEU 8 9.428 42.787 6.177 77 HD23 LEU 8 HD23 LEU 8 10.697 42.187 7.310 78 H THR 9 H THR 9 11.754 47.131 4.101 79 HA THR 9 HA THR 9 12.573 48.984 5.991 80 HB THR 9 HB THR 9 12.048 50.388 3.600 81 HG1 THR 9 HG1 THR 9 12.695 48.533 2.166 82 HG21 THR 9 HG21 THR 9 14.181 50.012 3.113 83 HG22 THR 9 HG22 THR 9 14.377 48.337 3.835 84 HG23 THR 9 HG23 THR 9 14.282 49.860 4.849 85 H GLY 10 H GLY 10 9.363 48.001 5.269 86 HA2 GLY 10 HA2 GLY 10 7.598 48.691 6.058 87 HA3 GLY 10 HA3 GLY 10 8.298 50.293 6.515 88 H LYS 11 H LYS 11 8.039 49.065 3.120 89 HA LYS 11 HA LYS 11 6.554 51.620 2.706 90 HB2 LYS 11 HB2 LYS 11 8.341 50.095 0.823 91 HB3 LYS 11 HB3 LYS 11 7.689 51.697 0.460 92 HG2 LYS 11 HG2 LYS 11 8.606 52.808 2.404 93 HG3 LYS 11 HG3 LYS 11 9.404 51.257 2.837 94 HD2 LYS 11 HD2 LYS 11 9.775 52.774 0.253 95 HD3 LYS 11 HD3 LYS 11 10.982 52.595 1.636 96 HE2 LYS 11 HE2 LYS 11 11.228 50.233 1.244 97 HE3 LYS 11 HE3 LYS 11 10.129 50.251 -0.174 98 HZ1 LYS 11 HZ1 LYS 11 12.798 51.359 0.130 99 HZ2 LYS 11 HZ2 LYS 11 11.775 52.058 -1.021 100 HZ3 LYS 11 HZ3 LYS 11 12.153 50.384 -1.038 101 H THR 12 H THR 12 4.689 51.721 1.569 102 HA THR 12 HA THR 12 3.487 49.212 0.817 103 HB THR 12 HB THR 12 2.411 52.000 0.307 104 HG1 THR 12 HG1 THR 12 1.720 51.862 2.334 105 HG21 THR 12 HG21 THR 12 0.289 50.720 0.380 106 HG22 THR 12 HG22 THR 12 1.209 49.260 0.056 107 HG23 THR 12 HG23 THR 12 1.269 50.515 -1.158 108 H ILE 13 H ILE 13 4.312 48.309 -1.057 109 HA ILE 13 HA ILE 13 4.805 50.124 -3.363 110 HB ILE 13 HB ILE 13 5.486 47.149 -3.006 111 HG12 ILE 13 HG12 ILE 13 6.524 48.299 -1.058 112 HG13 ILE 13 HG13 ILE 13 7.743 47.823 -2.121 113 HG21 ILE 13 HG21 ILE 13 5.714 47.685 -5.324 114 HG22 ILE 13 HG22 ILE 13 7.331 47.730 -4.599 115 HG23 ILE 13 HG23 ILE 13 6.507 49.234 -4.937 116 HD11 ILE 13 HD11 ILE 13 6.762 50.708 -1.919 117 HD12 ILE 13 HD12 ILE 13 7.826 50.097 -3.231 118 HD13 ILE 13 HD13 ILE 13 8.350 50.058 -1.591 119 H THR 14 H THR 14 3.380 50.267 -4.971 120 HA THR 14 HA THR 14 1.119 48.478 -5.153 121 HB THR 14 HB THR 14 2.077 50.432 -7.167 122 HG1 THR 14 HG1 THR 14 1.336 51.354 -5.023 123 HG21 THR 14 HG21 THR 14 -0.617 49.051 -6.750 124 HG22 THR 14 HG22 THR 14 0.494 48.813 -8.154 125 HG23 THR 14 HG23 THR 14 -0.404 50.331 -7.946 126 H LEU 15 H LEU 15 1.082 46.476 -5.941 127 HA LEU 15 HA LEU 15 2.918 45.980 -8.230 128 HB2 LEU 15 HB2 LEU 15 1.747 43.673 -6.688 129 HB3 LEU 15 HB3 LEU 15 2.991 43.575 -7.895 130 HG LEU 15 HG LEU 15 3.538 45.090 -5.321 131 HD11 LEU 15 HD11 LEU 15 4.460 42.344 -6.285 132 HD12 LEU 15 HD12 LEU 15 3.058 42.591 -5.197 133 HD13 LEU 15 HD13 LEU 15 4.622 43.021 -4.575 134 HD21 LEU 15 HD21 LEU 15 4.932 45.837 -7.148 135 HD22 LEU 15 HD22 LEU 15 5.248 44.152 -7.601 136 HD23 LEU 15 HD23 LEU 15 5.682 44.747 -5.873 137 H GLU 16 H GLU 16 2.073 45.755 -10.238 138 HA GLU 16 HA GLU 16 -0.842 45.119 -10.386 139 HB2 GLU 16 HB2 GLU 16 1.059 46.060 -12.651 140 HB3 GLU 16 HB3 GLU 16 -0.728 45.848 -12.782 141 HG2 GLU 16 HG2 GLU 16 -1.021 47.441 -10.993 142 HG3 GLU 16 HG3 GLU 16 0.737 47.882 -11.187 143 H VAL 17 H VAL 17 -1.492 43.294 -10.705 144 HA VAL 17 HA VAL 17 -0.046 41.145 -12.112 145 HB VAL 17 HB VAL 17 -0.381 39.598 -10.214 146 HG11 VAL 17 HG11 VAL 17 1.430 40.698 -8.978 147 HG12 VAL 17 HG12 VAL 17 0.928 42.281 -9.499 148 HG13 VAL 17 HG13 VAL 17 1.738 41.221 -10.638 149 HG21 VAL 17 HG21 VAL 17 -1.223 42.136 -8.750 150 HG22 VAL 17 HG22 VAL 17 -1.024 40.574 -7.976 151 HG23 VAL 17 HG23 VAL 17 -2.392 40.820 -9.027 152 H GLU 18 H GLU 18 -1.254 39.297 -12.843 153 HA GLU 18 HA GLU 18 -4.037 39.960 -13.387 154 HB2 GLU 18 HB2 GLU 18 -2.016 37.753 -14.468 155 HB3 GLU 18 HB3 GLU 18 -3.741 37.492 -14.678 156 HG2 GLU 18 HG2 GLU 18 -3.965 39.604 -15.825 157 HG3 GLU 18 HG3 GLU 18 -2.230 40.011 -15.798 158 HA PRO 19 HA PRO 19 -5.354 37.317 -10.190 159 HB2 PRO 19 HB2 PRO 19 -7.825 36.128 -11.054 160 HB3 PRO 19 HB3 PRO 19 -7.461 37.788 -10.650 161 HG2 PRO 19 HG2 PRO 19 -7.249 36.482 -13.398 162 HG3 PRO 19 HG3 PRO 19 -8.327 37.830 -12.977 163 HD2 PRO 19 HD2 PRO 19 -5.949 38.088 -14.135 164 HD3 PRO 19 HD3 PRO 19 -6.377 39.277 -12.874 165 H SER 20 H SER 20 -4.516 35.906 -13.231 166 HA SER 20 HA SER 20 -4.184 33.183 -12.036 167 HB2 SER 20 HB2 SER 20 -3.560 32.563 -14.502 168 HB3 SER 20 HB3 SER 20 -5.216 33.237 -14.149 169 HG SER 20 HG SER 20 -3.015 34.783 -15.121 170 H ASP 21 H ASP 21 -2.388 35.695 -11.468 171 HA ASP 21 HA ASP 21 0.141 34.415 -12.251 172 HB2 ASP 21 HB2 ASP 21 -0.412 37.015 -10.687 173 HB3 ASP 21 HB3 ASP 21 1.210 36.394 -10.890 174 H THR 22 H THR 22 1.427 33.309 -11.012 175 HA THR 22 HA THR 22 0.723 32.248 -8.478 176 HB THR 22 HB THR 22 2.857 31.145 -8.203 177 HG1 THR 22 HG1 THR 22 3.935 31.257 -10.196 178 HG21 THR 22 HG21 THR 22 1.626 30.802 -10.983 179 HG22 THR 22 HG22 THR 22 0.852 30.260 -9.423 180 HG23 THR 22 HG23 THR 22 2.412 29.629 -9.953 181 H ILE 23 H ILE 23 1.787 32.414 -6.328 182 HA ILE 23 HA ILE 23 2.488 34.993 -5.490 183 HB ILE 23 HB ILE 23 2.999 32.507 -4.049 184 HG12 ILE 23 HG12 ILE 23 0.601 32.802 -4.681 185 HG13 ILE 23 HG13 ILE 23 0.898 32.941 -2.886 186 HG21 ILE 23 HG21 ILE 23 4.342 34.415 -3.039 187 HG22 ILE 23 HG22 ILE 23 3.067 33.986 -1.964 188 HG23 ILE 23 HG23 ILE 23 2.960 35.510 -3.046 189 HD11 ILE 23 HD11 ILE 23 0.768 35.409 -3.147 190 HD12 ILE 23 HD12 ILE 23 -0.780 34.599 -3.595 191 HD13 ILE 23 HD13 ILE 23 0.367 35.155 -4.896 192 H GLU 24 H GLU 24 4.503 32.279 -6.577 193 HA GLU 24 HA GLU 24 7.185 33.093 -6.225 194 HB2 GLU 24 HB2 GLU 24 6.433 30.908 -7.133 195 HB3 GLU 24 HB3 GLU 24 5.585 31.710 -8.456 196 HG2 GLU 24 HG2 GLU 24 7.596 32.204 -9.649 197 HG3 GLU 24 HG3 GLU 24 8.558 31.913 -8.171 198 H ASN 25 H ASN 25 5.035 33.726 -8.929 199 HA ASN 25 HA ASN 25 6.628 35.743 -10.118 200 HB2 ASN 25 HB2 ASN 25 4.992 34.338 -11.295 201 HB3 ASN 25 HB3 ASN 25 3.717 35.014 -10.334 202 HD21 ASN 25 HD21 ASN 25 3.193 35.089 -12.631 203 HD22 ASN 25 HD22 ASN 25 3.286 36.674 -13.398 204 H VAL 26 H VAL 26 4.117 36.225 -7.675 205 HA VAL 26 HA VAL 26 3.925 39.013 -7.748 206 HB VAL 26 HB VAL 26 3.236 36.926 -5.633 207 HG11 VAL 26 HG11 VAL 26 2.219 38.540 -4.230 208 HG12 VAL 26 HG12 VAL 26 3.004 39.902 -5.228 209 HG13 VAL 26 HG13 VAL 26 3.926 38.782 -4.217 210 HG21 VAL 26 HG21 VAL 26 1.009 37.405 -6.253 211 HG22 VAL 26 HG22 VAL 26 1.912 37.225 -7.785 212 HG23 VAL 26 HG23 VAL 26 1.350 38.872 -7.122 213 H LYS 27 H LYS 27 5.891 36.915 -5.722 214 HA LYS 27 HA LYS 27 7.622 38.781 -4.592 215 HB2 LYS 27 HB2 LYS 27 7.773 35.886 -5.219 216 HB3 LYS 27 HB3 LYS 27 9.173 36.766 -4.653 217 HG2 LYS 27 HG2 LYS 27 8.234 37.525 -2.600 218 HG3 LYS 27 HG3 LYS 27 6.600 37.078 -3.093 219 HD2 LYS 27 HD2 LYS 27 7.399 35.457 -1.454 220 HD3 LYS 27 HD3 LYS 27 6.944 34.749 -2.912 221 HE2 LYS 27 HE2 LYS 27 9.173 34.224 -3.647 222 HE3 LYS 27 HE3 LYS 27 9.838 35.412 -2.428 223 HZ1 LYS 27 HZ1 LYS 27 9.868 32.930 -1.863 224 HZ2 LYS 27 HZ2 LYS 27 8.238 33.030 -1.728 225 HZ3 LYS 27 HZ3 LYS 27 9.279 33.979 -0.704 226 H ALA 28 H ALA 28 7.870 37.337 -7.823 227 HA ALA 28 HA ALA 28 10.412 38.395 -8.337 228 HB1 ALA 28 HB1 ALA 28 9.908 37.636 -10.737 229 HB2 ALA 28 HB2 ALA 28 8.270 37.266 -10.155 230 HB3 ALA 28 HB3 ALA 28 9.688 36.393 -9.514 231 H LYS 29 H LYS 29 7.002 39.591 -8.665 232 HA LYS 29 HA LYS 29 7.657 41.999 -10.140 233 HB2 LYS 29 HB2 LYS 29 5.238 41.210 -8.622 234 HB3 LYS 29 HB3 LYS 29 5.367 42.789 -9.541 235 HG2 LYS 29 HG2 LYS 29 5.604 40.135 -11.019 236 HG3 LYS 29 HG3 LYS 29 4.108 41.103 -10.616 237 HD2 LYS 29 HD2 LYS 29 6.460 42.559 -11.760 238 HD3 LYS 29 HD3 LYS 29 5.795 41.401 -12.902 239 HE2 LYS 29 HE2 LYS 29 3.884 43.379 -11.588 240 HE3 LYS 29 HE3 LYS 29 4.922 43.735 -13.057 241 HZ1 LYS 29 HZ1 LYS 29 3.169 41.483 -13.081 242 HZ2 LYS 29 HZ2 LYS 29 3.933 42.360 -14.364 243 HZ3 LYS 29 HZ3 LYS 29 2.734 43.060 -13.496 244 H ILE 30 H ILE 30 7.905 41.361 -6.547 245 HA ILE 30 HA ILE 30 8.170 44.272 -6.250 246 HB ILE 30 HB ILE 30 6.646 43.207 -4.744 247 HG12 ILE 30 HG12 ILE 30 9.075 44.124 -3.198 248 HG13 ILE 30 HG13 ILE 30 7.852 45.015 -4.150 249 HG21 ILE 30 HG21 ILE 30 9.152 41.524 -4.148 250 HG22 ILE 30 HG22 ILE 30 7.679 40.783 -4.816 251 HG23 ILE 30 HG23 ILE 30 7.705 41.348 -3.144 252 HD11 ILE 30 HD11 ILE 30 7.278 43.253 -1.698 253 HD12 ILE 30 HD12 ILE 30 6.022 43.953 -2.820 254 HD13 ILE 30 HD13 ILE 30 6.906 45.015 -1.850 255 H GLN 31 H GLN 31 10.058 41.417 -6.621 256 HA GLN 31 HA GLN 31 12.472 42.524 -6.061 257 HB2 GLN 31 HB2 GLN 31 12.599 40.272 -6.122 258 HB3 GLN 31 HB3 GLN 31 11.671 40.103 -7.687 259 HG2 GLN 31 HG2 GLN 31 13.968 41.124 -8.773 260 HG3 GLN 31 HG3 GLN 31 14.609 41.041 -7.092 261 HE21 GLN 31 HE21 GLN 31 13.007 39.086 -9.675 262 HE22 GLN 31 HE22 GLN 31 13.975 37.665 -9.345 263 H ASP 32 H ASP 32 10.766 42.450 -9.187 264 HA ASP 32 HA ASP 32 12.275 44.071 -10.731 265 HB2 ASP 32 HB2 ASP 32 9.238 43.862 -10.420 266 HB3 ASP 32 HB3 ASP 32 9.992 44.875 -11.676 267 H LYS 33 H LYS 33 9.666 45.274 -8.573 268 HA LYS 33 HA LYS 33 10.107 48.029 -8.737 269 HB2 LYS 33 HB2 LYS 33 9.069 46.308 -6.522 270 HB3 LYS 33 HB3 LYS 33 8.971 48.109 -6.542 271 HG2 LYS 33 HG2 LYS 33 7.763 46.558 -8.896 272 HG3 LYS 33 HG3 LYS 33 6.924 46.686 -7.354 273 HD2 LYS 33 HD2 LYS 33 6.978 49.256 -7.660 274 HD3 LYS 33 HD3 LYS 33 7.768 49.100 -9.223 275 HE2 LYS 33 HE2 LYS 33 5.960 47.877 -10.312 276 HE3 LYS 33 HE3 LYS 33 5.343 47.562 -8.663 277 HZ1 LYS 33 HZ1 LYS 33 5.497 50.237 -9.904 278 HZ2 LYS 33 HZ2 LYS 33 4.729 49.816 -8.409 279 HZ3 LYS 33 HZ3 LYS 33 4.093 49.242 -9.866 280 H GLU 34 H GLU 34 11.304 45.885 -6.111 281 HA GLU 34 HA GLU 34 12.767 48.260 -5.114 282 HB2 GLU 34 HB2 GLU 34 11.274 45.908 -3.749 283 HB3 GLU 34 HB3 GLU 34 12.403 46.882 -2.862 284 HG2 GLU 34 HG2 GLU 34 9.989 48.084 -4.269 285 HG3 GLU 34 HG3 GLU 34 10.151 47.713 -2.511 286 H GLY 35 H GLY 35 13.200 44.785 -6.039 287 HA2 GLY 35 HA2 GLY 35 15.248 43.778 -6.324 288 HA3 GLY 35 HA3 GLY 35 15.955 44.993 -5.214 289 H ILE 36 H ILE 36 13.241 43.156 -4.189 290 HA ILE 36 HA ILE 36 14.501 42.597 -1.756 291 HB ILE 36 HB ILE 36 12.713 41.135 -1.165 292 HG12 ILE 36 HG12 ILE 36 10.593 41.947 -2.612 293 HG13 ILE 36 HG13 ILE 36 11.741 41.467 -3.959 294 HG21 ILE 36 HG21 ILE 36 11.162 43.235 -0.949 295 HG22 ILE 36 HG22 ILE 36 12.465 44.121 -1.877 296 HG23 ILE 36 HG23 ILE 36 12.829 43.457 -0.350 297 HD11 ILE 36 HD11 ILE 36 10.453 39.512 -3.460 298 HD12 ILE 36 HD12 ILE 36 10.607 39.785 -1.686 299 HD13 ILE 36 HD13 ILE 36 12.040 39.255 -2.702 300 HA PRO 37 HA PRO 37 15.751 38.588 -3.537 301 HB2 PRO 37 HB2 PRO 37 16.888 37.226 -1.485 302 HB3 PRO 37 HB3 PRO 37 17.529 38.726 -2.176 303 HG2 PRO 37 HG2 PRO 37 15.973 38.395 0.278 304 HG3 PRO 37 HG3 PRO 37 17.470 39.330 0.103 305 HD2 PRO 37 HD2 PRO 37 14.949 40.689 -0.077 306 HD3 PRO 37 HD3 PRO 37 16.399 41.148 -1.050 307 HA PRO 38 HA PRO 38 11.778 36.341 -2.826 308 HB2 PRO 38 HB2 PRO 38 12.709 34.251 -4.821 309 HB3 PRO 38 HB3 PRO 38 11.261 35.338 -4.894 310 HG2 PRO 38 HG2 PRO 38 13.968 35.638 -6.025 311 HG3 PRO 38 HG3 PRO 38 12.541 36.700 -6.471 312 HD2 PRO 38 HD2 PRO 38 14.764 37.646 -5.032 313 HD3 PRO 38 HD3 PRO 38 13.140 38.259 -4.899 314 H ASP 39 H ASP 39 14.401 34.151 -3.360 315 HA ASP 39 HA ASP 39 13.339 32.296 -1.746 316 HB2 ASP 39 HB2 ASP 39 16.296 32.683 -1.943 317 HB3 ASP 39 HB3 ASP 39 15.529 31.124 -1.431 318 H GLN 40 H GLN 40 15.116 35.164 -0.282 319 HA GLN 40 HA GLN 40 15.015 34.001 2.286 320 HB2 GLN 40 HB2 GLN 40 15.304 37.075 1.966 321 HB3 GLN 40 HB3 GLN 40 15.826 36.012 3.224 322 HG2 GLN 40 HG2 GLN 40 17.531 35.004 1.685 323 HG3 GLN 40 HG3 GLN 40 16.949 36.071 0.373 324 HE21 GLN 40 HE21 GLN 40 19.111 36.710 0.476 325 HE22 GLN 40 HE22 GLN 40 19.734 37.831 1.646 326 H GLN 41 H GLN 41 12.487 35.482 0.454 327 HA GLN 41 HA GLN 41 11.096 36.381 2.897 328 HB2 GLN 41 HB2 GLN 41 10.702 37.759 0.267 329 HB3 GLN 41 HB3 GLN 41 10.240 38.294 1.859 330 HG2 GLN 41 HG2 GLN 41 12.906 38.149 2.480 331 HG3 GLN 41 HG3 GLN 41 13.041 38.180 0.679 332 HE21 GLN 41 HE21 GLN 41 13.994 40.281 2.763 333 HE22 GLN 41 HE22 GLN 41 13.141 41.628 2.121 334 H ARG 42 H ARG 42 9.279 35.382 3.438 335 HA ARG 42 HA ARG 42 7.555 34.010 1.604 336 HB2 ARG 42 HB2 ARG 42 6.637 33.077 3.720 337 HB3 ARG 42 HB3 ARG 42 8.392 32.701 3.345 338 HG2 ARG 42 HG2 ARG 42 9.236 34.234 4.792 339 HG3 ARG 42 HG3 ARG 42 7.601 34.688 5.418 340 HD2 ARG 42 HD2 ARG 42 7.249 32.361 5.964 341 HD3 ARG 42 HD3 ARG 42 8.928 31.931 5.554 342 HE ARG 42 HE ARG 42 9.746 33.794 7.081 343 HH11 ARG 42 HH11 ARG 42 6.607 32.370 7.845 344 HH12 ARG 42 HH12 ARG 42 6.779 32.810 9.513 345 HH21 ARG 42 HH21 ARG 42 9.809 34.233 9.265 346 HH22 ARG 42 HH22 ARG 42 8.479 33.717 10.248 347 H LEU 43 H LEU 43 5.787 35.009 0.910 348 HA LEU 43 HA LEU 43 5.103 37.589 1.943 349 HB2 LEU 43 HB2 LEU 43 4.929 37.370 -0.376 350 HB3 LEU 43 HB3 LEU 43 3.566 36.236 -0.403 351 HG LEU 43 HG LEU 43 2.150 38.144 0.564 352 HD11 LEU 43 HD11 LEU 43 4.866 39.688 0.396 353 HD12 LEU 43 HD12 LEU 43 3.692 39.569 1.776 354 HD13 LEU 43 HD13 LEU 43 3.328 40.414 0.279 355 HD21 LEU 43 HD21 LEU 43 2.497 39.542 -1.645 356 HD22 LEU 43 HD22 LEU 43 2.108 37.824 -1.713 357 HD23 LEU 43 HD23 LEU 43 3.825 38.400 -2.001 358 H ILE 44 H ILE 44 3.482 37.997 3.595 359 HA ILE 44 HA ILE 44 1.535 35.947 4.288 360 HB ILE 44 HB ILE 44 2.880 38.304 5.731 361 HG12 ILE 44 HG12 ILE 44 3.075 36.905 7.651 362 HG13 ILE 44 HG13 ILE 44 2.351 35.477 6.737 363 HG21 ILE 44 HG21 ILE 44 0.288 36.890 6.860 364 HG22 ILE 44 HG22 ILE 44 0.411 38.684 6.381 365 HG23 ILE 44 HG23 ILE 44 1.284 38.017 7.708 366 HD11 ILE 44 HD11 ILE 44 4.843 36.714 5.424 367 HD12 ILE 44 HD12 ILE 44 4.161 35.051 5.397 368 HD13 ILE 44 HD13 ILE 44 5.000 35.516 6.761 369 H PHE 45 H PHE 45 -0.541 36.063 4.379 370 HA PHE 45 HA PHE 45 -1.575 38.697 4.142 371 HB2 PHE 45 HB2 PHE 45 -2.214 37.897 1.857 372 HB3 PHE 45 HB3 PHE 45 -2.778 36.354 2.619 373 HD1 PHE 45 HD1 PHE 45 -3.394 40.128 3.071 374 HD2 PHE 45 HD2 PHE 45 -5.017 36.188 2.837 375 HE1 PHE 45 HE1 PHE 45 -5.685 41.088 3.439 376 HE2 PHE 45 HE2 PHE 45 -7.329 37.140 2.670 377 HZ PHE 45 HZ PHE 45 -7.657 39.520 3.249 378 H ALA 46 H ALA 46 -3.319 39.131 5.441 379 HA ALA 46 HA ALA 46 -4.066 39.010 7.460 380 HB1 ALA 46 HB1 ALA 46 -6.251 38.089 7.600 381 HB2 ALA 46 HB2 ALA 46 -5.787 36.815 6.355 382 HB3 ALA 46 HB3 ALA 46 -6.014 38.471 5.910 383 H GLY 47 H GLY 47 -1.907 38.344 8.265 384 HA2 GLY 47 HA2 GLY 47 -0.637 37.234 9.687 385 HA3 GLY 47 HA3 GLY 47 -2.025 36.419 10.387 386 H LYS 48 H LYS 48 -1.750 35.462 7.180 387 HA LYS 48 HA LYS 48 -0.395 32.915 7.986 388 HB2 LYS 48 HB2 LYS 48 -2.724 33.243 5.999 389 HB3 LYS 48 HB3 LYS 48 -1.806 31.732 6.399 390 HG2 LYS 48 HG2 LYS 48 -3.308 33.436 8.443 391 HG3 LYS 48 HG3 LYS 48 -4.103 32.116 7.577 392 HD2 LYS 48 HD2 LYS 48 -1.760 31.584 9.431 393 HD3 LYS 48 HD3 LYS 48 -3.483 31.815 9.913 394 HE2 LYS 48 HE2 LYS 48 -4.107 29.805 8.684 395 HE3 LYS 48 HE3 LYS 48 -2.304 29.756 8.067 396 HZ1 LYS 48 HZ1 LYS 48 -2.852 28.275 9.961 397 HZ2 LYS 48 HZ2 LYS 48 -3.187 29.716 10.862 398 HZ3 LYS 48 HZ3 LYS 48 -1.616 29.439 10.304 399 H GLN 49 H GLN 49 1.418 32.522 6.834 400 HA GLN 49 HA GLN 49 2.308 33.780 4.502 401 HB2 GLN 49 HB2 GLN 49 3.998 31.784 4.286 402 HB3 GLN 49 HB3 GLN 49 4.021 32.832 5.787 403 HG2 GLN 49 HG2 GLN 49 2.494 30.818 6.745 404 HG3 GLN 49 HG3 GLN 49 3.254 29.865 5.468 405 HE21 GLN 49 HE21 GLN 49 3.194 29.614 8.446 406 HE22 GLN 49 HE22 GLN 49 4.817 29.404 8.784 407 H LEU 50 H LEU 50 2.078 33.454 2.388 408 HA LEU 50 HA LEU 50 0.208 31.410 1.363 409 HB2 LEU 50 HB2 LEU 50 1.005 33.760 -0.269 410 HB3 LEU 50 HB3 LEU 50 -0.371 32.564 -0.468 411 HG LEU 50 HG LEU 50 0.082 34.848 1.553 412 HD11 LEU 50 HD11 LEU 50 -0.430 35.724 -0.726 413 HD12 LEU 50 HD12 LEU 50 -1.869 36.031 0.212 414 HD13 LEU 50 HD13 LEU 50 -1.880 34.621 -0.884 415 HD21 LEU 50 HD21 LEU 50 -2.139 32.780 1.053 416 HD22 LEU 50 HD22 LEU 50 -2.557 34.170 1.951 417 HD23 LEU 50 HD23 LEU 50 -1.307 33.050 2.654 418 H GLU 51 H GLU 51 1.032 29.745 0.186 419 HA GLU 51 HA GLU 51 3.810 29.517 -0.245 420 HB2 GLU 51 HB2 GLU 51 1.618 27.532 -1.301 421 HB3 GLU 51 HB3 GLU 51 3.346 27.217 -1.525 422 HG2 GLU 51 HG2 GLU 51 3.498 27.564 0.949 423 HG3 GLU 51 HG3 GLU 51 1.645 27.337 0.909 424 H ASP 52 H ASP 52 5.189 29.333 -2.002 425 HA ASP 52 HA ASP 52 4.797 31.510 -3.644 426 HB2 ASP 52 HB2 ASP 52 6.795 29.235 -4.138 427 HB3 ASP 52 HB3 ASP 52 6.726 30.810 -4.811 428 H GLY 53 H GLY 53 4.310 28.013 -4.208 429 HA2 GLY 53 HA2 GLY 53 4.062 27.971 -6.910 430 HA3 GLY 53 HA3 GLY 53 3.581 26.634 -5.890 431 H ARG 54 H ARG 54 1.642 28.888 -4.839 432 HA ARG 54 HA ARG 54 -0.574 27.994 -6.465 433 HB2 ARG 54 HB2 ARG 54 -0.543 28.875 -3.604 434 HB3 ARG 54 HB3 ARG 54 -1.948 28.284 -4.604 435 HG2 ARG 54 HG2 ARG 54 -1.214 26.177 -4.909 436 HG3 ARG 54 HG3 ARG 54 0.404 26.490 -4.138 437 HD2 ARG 54 HD2 ARG 54 -1.226 25.246 -2.799 438 HD3 ARG 54 HD3 ARG 54 -0.859 26.815 -1.957 439 HE ARG 54 HE ARG 54 -3.295 26.809 -3.604 440 HH11 ARG 54 HH11 ARG 54 -2.359 25.844 -0.315 441 HH12 ARG 54 HH12 ARG 54 -3.947 26.203 0.254 442 HH21 ARG 54 HH21 ARG 54 -5.175 26.953 -2.923 443 HH22 ARG 54 HH22 ARG 54 -5.573 26.805 -1.242 444 H THR 55 H THR 55 -2.289 29.271 -7.204 445 HA THR 55 HA THR 55 -1.311 31.885 -7.948 446 HB THR 55 HB THR 55 -3.055 32.419 -9.283 447 HG1 THR 55 HG1 THR 55 -4.866 30.734 -9.338 448 HG21 THR 55 HG21 THR 55 -2.365 29.385 -9.509 449 HG22 THR 55 HG22 THR 55 -1.542 30.720 -10.289 450 HG23 THR 55 HG23 THR 55 -3.116 30.263 -10.805 451 H LEU 56 H LEU 56 -2.610 33.861 -7.783 452 HA LEU 56 HA LEU 56 -3.422 34.798 -5.198 453 HB2 LEU 56 HB2 LEU 56 -3.995 35.818 -8.040 454 HB3 LEU 56 HB3 LEU 56 -4.463 36.617 -6.535 455 HG LEU 56 HG LEU 56 -1.575 35.998 -7.289 456 HD11 LEU 56 HD11 LEU 56 -2.628 37.350 -8.947 457 HD12 LEU 56 HD12 LEU 56 -1.563 38.514 -7.992 458 HD13 LEU 56 HD13 LEU 56 -3.375 38.453 -7.813 459 HD21 LEU 56 HD21 LEU 56 -2.781 38.020 -5.365 460 HD22 LEU 56 HD22 LEU 56 -1.092 37.796 -5.784 461 HD23 LEU 56 HD23 LEU 56 -1.990 36.403 -4.955 462 H SER 57 H SER 57 -5.253 33.869 -7.947 463 HA SER 57 HA SER 57 -7.863 34.020 -6.956 464 HB2 SER 57 HB2 SER 57 -7.365 34.187 -9.256 465 HB3 SER 57 HB3 SER 57 -6.950 32.404 -9.368 466 HG SER 57 HG SER 57 -8.886 31.880 -9.081 467 H ASP 58 H ASP 58 -5.549 31.201 -7.083 468 HA ASP 58 HA ASP 58 -7.307 29.302 -5.993 469 HB2 ASP 58 HB2 ASP 58 -4.993 28.969 -6.942 470 HB3 ASP 58 HB3 ASP 58 -4.364 29.694 -5.416 471 H TYR 59 H TYR 59 -5.174 31.737 -4.348 472 HA TYR 59 HA TYR 59 -5.932 30.919 -1.742 473 HB2 TYR 59 HB2 TYR 59 -3.894 32.851 -2.912 474 HB3 TYR 59 HB3 TYR 59 -4.332 32.945 -1.147 475 HD1 TYR 59 HD1 TYR 59 -1.839 31.631 -3.030 476 HD2 TYR 59 HD2 TYR 59 -4.697 30.518 -0.170 477 HE1 TYR 59 HE1 TYR 59 -0.164 30.155 -2.008 478 HE2 TYR 59 HE2 TYR 59 -3.135 29.067 0.989 479 HH TYR 59 HH TYR 59 -0.657 28.347 0.984 480 H ASN 60 H ASN 60 -7.495 32.935 -3.909 481 HA ASN 60 HA ASN 60 -9.144 34.166 -3.889 482 HB2 ASN 60 HB2 ASN 60 -9.535 33.403 -0.969 483 HB3 ASN 60 HB3 ASN 60 -10.837 34.169 -2.012 484 HD21 ASN 60 HD21 ASN 60 -8.756 31.295 -2.559 485 HD22 ASN 60 HD22 ASN 60 -10.185 30.387 -2.957 486 H ILE 61 H ILE 61 -6.732 35.503 -3.590 487 HA ILE 61 HA ILE 61 -7.127 37.771 -1.876 488 HB ILE 61 HB ILE 61 -5.001 37.109 -3.994 489 HG12 ILE 61 HG12 ILE 61 -4.922 35.472 -2.261 490 HG13 ILE 61 HG13 ILE 61 -3.489 36.437 -2.143 491 HG21 ILE 61 HG21 ILE 61 -3.582 38.785 -3.137 492 HG22 ILE 61 HG22 ILE 61 -4.698 39.271 -1.964 493 HG23 ILE 61 HG23 ILE 61 -5.064 39.623 -3.659 494 HD11 ILE 61 HD11 ILE 61 -5.281 37.742 -0.464 495 HD12 ILE 61 HD12 ILE 61 -3.758 36.923 -0.078 496 HD13 ILE 61 HD13 ILE 61 -5.336 36.018 0.070 497 H GLN 62 H GLN 62 -8.033 39.614 -2.432 498 HA GLN 62 HA GLN 62 -8.624 40.213 -5.190 499 HB2 GLN 62 HB2 GLN 62 -9.699 41.273 -2.472 500 HB3 GLN 62 HB3 GLN 62 -10.274 41.716 -4.097 501 HG2 GLN 62 HG2 GLN 62 -10.467 39.064 -2.545 502 HG3 GLN 62 HG3 GLN 62 -11.811 40.100 -2.968 503 HE21 GLN 62 HE21 GLN 62 -12.014 37.518 -3.638 504 HE22 GLN 62 HE22 GLN 62 -12.149 37.427 -5.376 505 H LYS 63 H LYS 63 -8.535 42.361 -5.832 506 HA LYS 63 HA LYS 63 -6.231 43.649 -5.586 507 HB2 LYS 63 HB2 LYS 63 -7.357 45.400 -7.044 508 HB3 LYS 63 HB3 LYS 63 -7.829 43.759 -7.456 509 HG2 LYS 63 HG2 LYS 63 -9.970 44.119 -6.152 510 HG3 LYS 63 HG3 LYS 63 -9.467 45.860 -5.929 511 HD2 LYS 63 HD2 LYS 63 -9.915 44.517 -8.637 512 HD3 LYS 63 HD3 LYS 63 -11.119 45.472 -7.883 513 HE2 LYS 63 HE2 LYS 63 -9.382 47.303 -7.729 514 HE3 LYS 63 HE3 LYS 63 -8.540 46.485 -9.093 515 HZ1 LYS 63 HZ1 LYS 63 -10.593 46.460 -10.245 516 HZ2 LYS 63 HZ2 LYS 63 -9.851 47.953 -10.100 517 HZ3 LYS 63 HZ3 LYS 63 -11.139 47.555 -8.972 518 H GLU 64 H GLU 64 -5.617 45.792 -4.525 519 HA GLU 64 HA GLU 64 -5.612 47.321 -3.150 520 HB2 GLU 64 HB2 GLU 64 -8.687 47.292 -2.736 521 HB3 GLU 64 HB3 GLU 64 -7.666 48.543 -2.292 522 HG2 GLU 64 HG2 GLU 64 -7.051 49.057 -4.637 523 HG3 GLU 64 HG3 GLU 64 -8.110 47.763 -5.184 524 H SER 65 H SER 65 -6.132 44.362 -2.262 525 HA SER 65 HA SER 65 -6.183 44.690 0.512 526 HB2 SER 65 HB2 SER 65 -5.445 42.126 -0.927 527 HB3 SER 65 HB3 SER 65 -5.858 42.362 0.784 528 HG SER 65 HG SER 65 -7.492 42.463 -1.427 529 H THR 66 H THR 66 -4.410 44.200 1.900 530 HA THR 66 HA THR 66 -1.777 45.279 0.961 531 HB THR 66 HB THR 66 -3.095 45.178 3.688 532 HG1 THR 66 HG1 THR 66 -4.247 46.463 2.531 533 HG21 THR 66 HG21 THR 66 -0.572 45.653 3.970 534 HG22 THR 66 HG22 THR 66 -1.306 47.221 4.045 535 HG23 THR 66 HG23 THR 66 -0.662 46.634 2.415 536 H LEU 67 H LEU 67 -0.047 43.896 1.109 537 HA LEU 67 HA LEU 67 -0.220 41.619 2.885 538 HB2 LEU 67 HB2 LEU 67 0.906 41.439 0.063 539 HB3 LEU 67 HB3 LEU 67 0.857 40.064 1.201 540 HG LEU 67 HG LEU 67 -1.676 40.182 1.090 541 HD11 LEU 67 HD11 LEU 67 -2.372 40.711 -1.425 542 HD12 LEU 67 HD12 LEU 67 -1.127 41.957 -1.176 543 HD13 LEU 67 HD13 LEU 67 -2.526 41.803 -0.038 544 HD21 LEU 67 HD21 LEU 67 -0.074 38.433 0.246 545 HD22 LEU 67 HD22 LEU 67 -0.212 39.192 -1.402 546 HD23 LEU 67 HD23 LEU 67 -1.684 38.578 -0.589 547 H HIS 68 H HIS 68 1.983 40.556 3.503 548 HA HIS 68 HA HIS 68 3.894 42.749 3.827 549 HB2 HIS 68 HB2 HIS 68 2.560 40.958 5.818 550 HB3 HIS 68 HB3 HIS 68 4.109 41.720 6.231 551 HD1 HIS 68 HD1 HIS 68 0.397 42.663 5.456 552 HD2 HIS 68 HD2 HIS 68 3.676 44.256 7.471 553 HE1 HIS 68 HE1 HIS 68 -0.308 44.899 6.657 554 H LEU 69 H LEU 69 5.872 42.112 2.994 555 HA LEU 69 HA LEU 69 6.603 39.375 2.777 556 HB2 LEU 69 HB2 LEU 69 8.058 41.923 2.509 557 HB3 LEU 69 HB3 LEU 69 8.973 40.412 2.512 558 HG LEU 69 HG LEU 69 6.520 40.911 0.664 559 HD11 LEU 69 HD11 LEU 69 9.447 41.120 0.069 560 HD12 LEU 69 HD12 LEU 69 8.327 42.491 0.308 561 HD13 LEU 69 HD13 LEU 69 8.123 41.464 -1.096 562 HD21 LEU 69 HD21 LEU 69 7.535 39.193 -0.763 563 HD22 LEU 69 HD22 LEU 69 6.732 38.563 0.707 564 HD23 LEU 69 HD23 LEU 69 8.538 38.634 0.646 565 H VAL 70 H VAL 70 7.588 37.857 4.310 566 HA VAL 70 HA VAL 70 8.588 39.144 6.790 567 HB VAL 70 HB VAL 70 7.025 36.705 6.291 568 HG11 VAL 70 HG11 VAL 70 8.585 37.649 8.781 569 HG12 VAL 70 HG12 VAL 70 8.775 36.043 8.041 570 HG13 VAL 70 HG13 VAL 70 7.244 36.431 8.904 571 HG21 VAL 70 HG21 VAL 70 5.730 38.859 6.527 572 HG22 VAL 70 HG22 VAL 70 6.596 39.215 8.098 573 HG23 VAL 70 HG23 VAL 70 5.455 37.948 8.052 574 H LEU 71 H LEU 71 10.937 38.481 7.330 575 HA LEU 71 HA LEU 71 12.154 36.886 5.428 576 HB2 LEU 71 HB2 LEU 71 12.878 37.160 8.335 577 HB3 LEU 71 HB3 LEU 71 14.015 36.509 7.064 578 HG LEU 71 HG LEU 71 13.171 39.365 7.143 579 HD11 LEU 71 HD11 LEU 71 14.820 38.994 8.863 580 HD12 LEU 71 HD12 LEU 71 15.728 39.665 7.410 581 HD13 LEU 71 HD13 LEU 71 15.828 37.936 7.834 582 HD21 LEU 71 HD21 LEU 71 13.332 38.772 4.780 583 HD22 LEU 71 HD22 LEU 71 14.473 37.587 5.122 584 HD23 LEU 71 HD23 LEU 71 15.013 39.341 5.257 585 H ARG 72 H ARG 72 12.673 34.783 5.299 586 HA ARG 72 HA ARG 72 11.034 32.681 5.840 587 HB2 ARG 72 HB2 ARG 72 12.741 31.223 5.047 588 HB3 ARG 72 HB3 ARG 72 12.479 32.574 3.965 589 HG2 ARG 72 HG2 ARG 72 14.612 33.692 5.211 590 HG3 ARG 72 HG3 ARG 72 14.727 32.153 6.026 591 HD2 ARG 72 HD2 ARG 72 15.336 30.898 4.366 592 HD3 ARG 72 HD3 ARG 72 14.671 31.956 3.040 593 HE ARG 72 HE ARG 72 16.597 33.319 4.823 594 HH11 ARG 72 HH11 ARG 72 16.422 31.194 1.931 595 HH12 ARG 72 HH12 ARG 72 18.019 31.674 1.475 596 HH21 ARG 72 HH21 ARG 72 18.711 33.679 4.036 597 HH22 ARG 72 HH22 ARG 72 19.332 33.020 2.585 598 H LEU 73 H LEU 73 11.002 30.880 7.092 599 HA LEU 73 HA LEU 73 12.062 31.151 9.729 600 HB2 LEU 73 HB2 LEU 73 11.135 28.559 8.320 601 HB3 LEU 73 HB3 LEU 73 11.526 28.681 10.017 602 HG LEU 73 HG LEU 73 9.346 30.258 8.567 603 HD11 LEU 73 HD11 LEU 73 7.747 28.545 9.648 604 HD12 LEU 73 HD12 LEU 73 9.284 27.741 10.224 605 HD13 LEU 73 HD13 LEU 73 8.936 27.710 8.535 606 HD21 LEU 73 HD21 LEU 73 10.153 31.347 10.740 607 HD22 LEU 73 HD22 LEU 73 9.614 29.749 11.532 608 HD23 LEU 73 HD23 LEU 73 8.450 30.733 10.812 609 H ARG 74 H ARG 74 13.731 30.339 10.750 610 HA ARG 74 HA ARG 74 15.953 28.955 9.290 611 HB2 ARG 74 HB2 ARG 74 16.213 31.368 10.910 612 HB3 ARG 74 HB3 ARG 74 17.539 30.213 10.525 613 HG2 ARG 74 HG2 ARG 74 15.907 31.870 8.453 614 HG3 ARG 74 HG3 ARG 74 17.457 32.276 8.978 615 HD2 ARG 74 HD2 ARG 74 18.055 31.365 7.043 616 HD3 ARG 74 HD3 ARG 74 18.277 29.894 8.073 617 HE ARG 74 HE ARG 74 15.688 29.827 7.006 618 HH11 ARG 74 HH11 ARG 74 19.014 29.722 5.820 619 HH12 ARG 74 HH12 ARG 74 18.618 28.431 4.734 620 HH21 ARG 74 HH21 ARG 74 15.205 28.622 5.247 621 HH22 ARG 74 HH22 ARG 74 16.425 28.136 4.101 622 H GLY 75 H GLY 75 16.747 27.246 10.017 623 HA2 GLY 75 HA2 GLY 75 15.917 26.024 12.414 624 HA3 GLY 75 HA3 GLY 75 17.251 25.487 11.325 625 H GLY 76 H GLY 76 18.537 24.760 12.839 626 HA2 GLY 76 HA2 GLY 76 19.950 26.843 14.363 627 HA3 GLY 76 HA3 GLY 76 19.428 25.247 15.102 Start of MODEL 14 1 H MET 1 HT1 MET 1 -3.739 44.954 -13.379 2 HA MET 1 HA MET 1 -5.071 45.801 -11.862 3 HB2 MET 1 HB2 MET 1 -6.145 44.459 -9.948 4 HB3 MET 1 HB3 MET 1 -6.249 43.604 -11.418 5 HG2 MET 1 HG2 MET 1 -4.229 42.197 -10.636 6 HG3 MET 1 HG3 MET 1 -4.332 42.999 -9.051 7 HE1 MET 1 HE1 MET 1 -5.409 41.863 -7.006 8 HE2 MET 1 HE2 MET 1 -4.297 40.734 -7.952 9 HE3 MET 1 HE3 MET 1 -5.869 40.170 -7.421 10 H GLN 2 H GLN 2 -4.767 46.685 -9.535 11 HA GLN 2 HA GLN 2 -1.960 46.759 -8.755 12 HB2 GLN 2 HB2 GLN 2 -4.262 48.450 -7.863 13 HB3 GLN 2 HB3 GLN 2 -2.726 48.536 -7.029 14 HG2 GLN 2 HG2 GLN 2 -3.564 49.041 -9.985 15 HG3 GLN 2 HG3 GLN 2 -3.118 50.380 -8.790 16 HE21 GLN 2 HE21 GLN 2 -1.975 48.061 -11.176 17 HE22 GLN 2 HE22 GLN 2 -0.319 48.315 -10.925 18 H ILE 3 H ILE 3 -1.110 45.911 -6.753 19 HA ILE 3 HA ILE 3 -2.964 45.695 -4.639 20 HB ILE 3 HB ILE 3 -1.843 43.644 -3.699 21 HG12 ILE 3 HG12 ILE 3 -0.623 43.388 -6.446 22 HG13 ILE 3 HG13 ILE 3 0.310 43.813 -4.973 23 HG21 ILE 3 HG21 ILE 3 -4.078 43.440 -4.808 24 HG22 ILE 3 HG22 ILE 3 -3.014 42.039 -5.057 25 HG23 ILE 3 HG23 ILE 3 -3.218 43.225 -6.376 26 HD11 ILE 3 HD11 ILE 3 0.748 41.551 -5.401 27 HD12 ILE 3 HD12 ILE 3 -1.002 41.067 -5.358 28 HD13 ILE 3 HD13 ILE 3 -0.286 41.875 -3.947 29 H PHE 4 H PHE 4 -1.714 45.573 -2.492 30 HA PHE 4 HA PHE 4 0.731 47.173 -2.650 31 HB2 PHE 4 HB2 PHE 4 -1.347 46.996 -0.408 32 HB3 PHE 4 HB3 PHE 4 0.072 48.172 -0.600 33 HD1 PHE 4 HD1 PHE 4 -0.079 49.878 -2.423 34 HD2 PHE 4 HD2 PHE 4 -3.450 47.616 -1.168 35 HE1 PHE 4 HE1 PHE 4 -1.427 51.384 -3.619 36 HE2 PHE 4 HE2 PHE 4 -4.908 49.264 -2.352 37 HZ PHE 4 HZ PHE 4 -3.894 51.137 -3.828 38 H VAL 5 H VAL 5 2.490 46.397 -1.500 39 HA VAL 5 HA VAL 5 2.212 43.890 -0.054 40 HB VAL 5 HB VAL 5 4.406 44.919 -1.936 41 HG11 VAL 5 HG11 VAL 5 4.699 42.376 -0.164 42 HG12 VAL 5 HG12 VAL 5 5.586 43.922 -0.006 43 HG13 VAL 5 HG13 VAL 5 5.741 42.921 -1.537 44 HG21 VAL 5 HG21 VAL 5 3.812 42.492 -2.996 45 HG22 VAL 5 HG22 VAL 5 2.901 44.020 -3.249 46 HG23 VAL 5 HG23 VAL 5 2.376 42.737 -2.086 47 H LYS 6 H LYS 6 2.445 44.413 2.041 48 HA LYS 6 HA LYS 6 4.140 46.765 2.894 49 HB2 LYS 6 HB2 LYS 6 1.757 46.798 3.306 50 HB3 LYS 6 HB3 LYS 6 1.936 45.375 4.348 51 HG2 LYS 6 HG2 LYS 6 3.274 46.704 5.991 52 HG3 LYS 6 HG3 LYS 6 3.200 48.188 4.860 53 HD2 LYS 6 HD2 LYS 6 0.608 48.008 5.102 54 HD3 LYS 6 HD3 LYS 6 0.956 46.621 6.252 55 HE2 LYS 6 HE2 LYS 6 2.146 48.243 7.672 56 HE3 LYS 6 HE3 LYS 6 1.743 49.596 6.555 57 HZ1 LYS 6 HZ1 LYS 6 -0.565 49.102 6.905 58 HZ2 LYS 6 HZ2 LYS 6 0.232 49.467 8.295 59 HZ3 LYS 6 HZ3 LYS 6 -0.251 47.842 7.981 60 H THR 7 H THR 7 6.113 46.300 3.388 61 HA THR 7 HA THR 7 6.860 43.733 4.292 62 HB THR 7 HB THR 7 8.989 44.723 5.149 63 HG1 THR 7 HG1 THR 7 9.378 46.687 5.137 64 HG21 THR 7 HG21 THR 7 9.890 45.393 2.948 65 HG22 THR 7 HG22 THR 7 8.275 45.384 2.264 66 HG23 THR 7 HG23 THR 7 8.963 43.834 2.811 67 H LEU 8 H LEU 8 7.336 42.952 6.360 68 HA LEU 8 HA LEU 8 6.079 44.017 8.674 69 HB2 LEU 8 HB2 LEU 8 6.783 41.510 8.155 70 HB3 LEU 8 HB3 LEU 8 8.383 41.995 8.657 71 HG LEU 8 HG LEU 8 7.209 42.648 10.840 72 HD11 LEU 8 HD11 LEU 8 4.642 41.402 9.635 73 HD12 LEU 8 HD12 LEU 8 4.982 43.187 9.866 74 HD13 LEU 8 HD13 LEU 8 4.829 42.186 11.260 75 HD21 LEU 8 HD21 LEU 8 8.068 40.303 10.873 76 HD22 LEU 8 HD22 LEU 8 6.720 39.696 9.897 77 HD23 LEU 8 HD23 LEU 8 6.432 40.258 11.561 78 H THR 9 H THR 9 9.035 45.139 7.251 79 HA THR 9 HA THR 9 9.837 46.474 9.645 80 HB THR 9 HB THR 9 11.667 47.435 8.296 81 HG1 THR 9 HG1 THR 9 10.944 47.713 6.448 82 HG21 THR 9 HG21 THR 9 12.745 45.271 7.660 83 HG22 THR 9 HG22 THR 9 11.255 44.416 7.701 84 HG23 THR 9 HG23 THR 9 11.911 45.186 9.183 85 H GLY 10 H GLY 10 7.415 47.042 7.452 86 HA2 GLY 10 HA2 GLY 10 5.882 48.645 7.646 87 HA3 GLY 10 HA3 GLY 10 6.995 49.700 8.501 88 H LYS 11 H LYS 11 7.452 48.326 5.165 89 HA LYS 11 HA LYS 11 7.090 50.977 4.215 90 HB2 LYS 11 HB2 LYS 11 8.988 49.106 2.855 91 HB3 LYS 11 HB3 LYS 11 8.485 50.782 2.475 92 HG2 LYS 11 HG2 LYS 11 9.634 51.485 4.750 93 HG3 LYS 11 HG3 LYS 11 10.254 49.777 4.837 94 HD2 LYS 11 HD2 LYS 11 11.981 50.947 3.854 95 HD3 LYS 11 HD3 LYS 11 11.144 50.154 2.511 96 HE2 LYS 11 HE2 LYS 11 9.950 52.357 1.925 97 HE3 LYS 11 HE3 LYS 11 10.647 53.095 3.336 98 HZ1 LYS 11 HZ1 LYS 11 12.253 51.994 1.099 99 HZ2 LYS 11 HZ2 LYS 11 12.772 53.026 2.342 100 HZ3 LYS 11 HZ3 LYS 11 11.701 53.539 1.125 101 H THR 12 H THR 12 5.265 51.164 2.838 102 HA THR 12 HA THR 12 4.064 48.728 1.863 103 HB THR 12 HB THR 12 3.166 51.683 1.931 104 HG1 THR 12 HG1 THR 12 3.205 50.580 3.940 105 HG21 THR 12 HG21 THR 12 1.632 49.230 0.995 106 HG22 THR 12 HG22 THR 12 2.060 50.548 -0.024 107 HG23 THR 12 HG23 THR 12 0.972 50.874 1.335 108 H ILE 13 H ILE 13 4.831 47.967 0.077 109 HA ILE 13 HA ILE 13 6.004 49.570 -2.015 110 HB ILE 13 HB ILE 13 5.936 46.633 -1.601 111 HG12 ILE 13 HG12 ILE 13 7.203 47.670 0.125 112 HG13 ILE 13 HG13 ILE 13 8.130 46.584 -1.059 113 HG21 ILE 13 HG21 ILE 13 7.551 46.468 -3.541 114 HG22 ILE 13 HG22 ILE 13 7.509 48.255 -3.596 115 HG23 ILE 13 HG23 ILE 13 6.064 47.249 -4.034 116 HD11 ILE 13 HD11 ILE 13 9.260 48.855 -0.311 117 HD12 ILE 13 HD12 ILE 13 8.020 49.593 -1.414 118 HD13 ILE 13 HD13 ILE 13 9.220 48.502 -2.069 119 H THR 14 H THR 14 5.048 50.062 -3.839 120 HA THR 14 HA THR 14 2.455 49.153 -4.531 121 HB THR 14 HB THR 14 2.659 50.692 -6.483 122 HG1 THR 14 HG1 THR 14 4.778 50.565 -6.835 123 HG21 THR 14 HG21 THR 14 1.903 51.764 -4.293 124 HG22 THR 14 HG22 THR 14 2.806 52.840 -5.233 125 HG23 THR 14 HG23 THR 14 3.633 52.171 -3.854 126 H LEU 15 H LEU 15 1.919 47.114 -5.730 127 HA LEU 15 HA LEU 15 3.946 46.562 -7.734 128 HB2 LEU 15 HB2 LEU 15 3.945 45.144 -5.690 129 HB3 LEU 15 HB3 LEU 15 2.348 44.501 -6.167 130 HG LEU 15 HG LEU 15 3.351 43.769 -8.356 131 HD11 LEU 15 HD11 LEU 15 5.280 45.110 -8.579 132 HD12 LEU 15 HD12 LEU 15 5.712 43.432 -8.734 133 HD13 LEU 15 HD13 LEU 15 6.023 44.324 -7.130 134 HD21 LEU 15 HD21 LEU 15 4.428 41.702 -7.380 135 HD22 LEU 15 HD22 LEU 15 3.163 42.236 -6.157 136 HD23 LEU 15 HD23 LEU 15 4.878 42.524 -5.878 137 H GLU 16 H GLU 16 3.041 45.514 -9.702 138 HA GLU 16 HA GLU 16 0.157 45.577 -10.031 139 HB2 GLU 16 HB2 GLU 16 1.279 47.309 -11.641 140 HB3 GLU 16 HB3 GLU 16 2.227 46.029 -12.250 141 HG2 GLU 16 HG2 GLU 16 -0.020 44.865 -12.975 142 HG3 GLU 16 HG3 GLU 16 -0.923 46.336 -12.457 143 H VAL 17 H VAL 17 -0.755 43.652 -10.527 144 HA VAL 17 HA VAL 17 0.922 41.389 -11.174 145 HB VAL 17 HB VAL 17 -0.122 40.038 -9.382 146 HG11 VAL 17 HG11 VAL 17 1.932 41.156 -8.882 147 HG12 VAL 17 HG12 VAL 17 0.928 40.787 -7.529 148 HG13 VAL 17 HG13 VAL 17 1.044 42.497 -8.132 149 HG21 VAL 17 HG21 VAL 17 -1.506 41.274 -7.555 150 HG22 VAL 17 HG22 VAL 17 -2.346 41.262 -9.145 151 HG23 VAL 17 HG23 VAL 17 -1.519 42.718 -8.627 152 H GLU 18 H GLU 18 -0.566 39.484 -11.782 153 HA GLU 18 HA GLU 18 -3.146 40.358 -12.881 154 HB2 GLU 18 HB2 GLU 18 -1.255 38.039 -13.491 155 HB3 GLU 18 HB3 GLU 18 -2.938 38.075 -14.130 156 HG2 GLU 18 HG2 GLU 18 -2.280 40.420 -15.156 157 HG3 GLU 18 HG3 GLU 18 -0.660 40.112 -14.746 158 HA PRO 19 HA PRO 19 -5.018 37.669 -9.811 159 HB2 PRO 19 HB2 PRO 19 -7.280 36.641 -10.963 160 HB3 PRO 19 HB3 PRO 19 -7.056 38.338 -10.431 161 HG2 PRO 19 HG2 PRO 19 -6.541 37.109 -13.217 162 HG3 PRO 19 HG3 PRO 19 -7.562 38.514 -12.858 163 HD2 PRO 19 HD2 PRO 19 -5.157 38.897 -13.728 164 HD3 PRO 19 HD3 PRO 19 -5.785 39.904 -12.353 165 H SER 20 H SER 20 -4.186 36.209 -12.898 166 HA SER 20 HA SER 20 -4.141 33.490 -12.018 167 HB2 SER 20 HB2 SER 20 -2.877 33.351 -14.289 168 HB3 SER 20 HB3 SER 20 -4.566 33.822 -14.327 169 HG SER 20 HG SER 20 -2.276 35.427 -14.728 170 H ASP 21 H ASP 21 -1.943 36.047 -11.218 171 HA ASP 21 HA ASP 21 0.439 34.636 -11.466 172 HB2 ASP 21 HB2 ASP 21 -0.372 37.092 -9.796 173 HB3 ASP 21 HB3 ASP 21 1.239 36.235 -9.703 174 H THR 22 H THR 22 1.593 33.506 -10.023 175 HA THR 22 HA THR 22 0.216 32.402 -7.738 176 HB THR 22 HB THR 22 2.208 30.724 -7.649 177 HG1 THR 22 HG1 THR 22 3.604 30.827 -9.353 178 HG21 THR 22 HG21 THR 22 0.156 30.280 -9.029 179 HG22 THR 22 HG22 THR 22 1.595 29.320 -9.432 180 HG23 THR 22 HG23 THR 22 1.125 30.651 -10.493 181 H ILE 23 H ILE 23 1.354 32.118 -5.813 182 HA ILE 23 HA ILE 23 2.555 34.554 -4.950 183 HB ILE 23 HB ILE 23 2.945 31.870 -3.567 184 HG12 ILE 23 HG12 ILE 23 0.523 31.909 -3.964 185 HG13 ILE 23 HG13 ILE 23 0.758 32.482 -2.331 186 HG21 ILE 23 HG21 ILE 23 2.794 33.173 -1.524 187 HG22 ILE 23 HG22 ILE 23 2.668 34.634 -2.488 188 HG23 ILE 23 HG23 ILE 23 4.216 33.704 -2.536 189 HD11 ILE 23 HD11 ILE 23 -1.080 33.935 -3.575 190 HD12 ILE 23 HD12 ILE 23 0.243 34.655 -4.531 191 HD13 ILE 23 HD13 ILE 23 0.144 34.796 -2.768 192 H GLU 24 H GLU 24 4.342 31.688 -5.890 193 HA GLU 24 HA GLU 24 6.820 32.830 -5.753 194 HB2 GLU 24 HB2 GLU 24 6.675 30.553 -6.005 195 HB3 GLU 24 HB3 GLU 24 5.556 30.633 -7.359 196 HG2 GLU 24 HG2 GLU 24 7.166 31.342 -8.993 197 HG3 GLU 24 HG3 GLU 24 8.406 31.629 -7.739 198 H ASN 25 H ASN 25 4.363 33.265 -8.528 199 HA ASN 25 HA ASN 25 6.180 34.874 -9.953 200 HB2 ASN 25 HB2 ASN 25 3.121 35.055 -9.975 201 HB3 ASN 25 HB3 ASN 25 4.171 35.886 -11.057 202 HD21 ASN 25 HD21 ASN 25 6.166 33.690 -11.350 203 HD22 ASN 25 HD22 ASN 25 5.509 32.644 -12.478 204 H VAL 26 H VAL 26 3.996 35.723 -7.401 205 HA VAL 26 HA VAL 26 4.622 38.416 -7.742 206 HB VAL 26 HB VAL 26 3.611 36.875 -5.205 207 HG11 VAL 26 HG11 VAL 26 4.608 39.199 -4.757 208 HG12 VAL 26 HG12 VAL 26 2.951 38.853 -4.118 209 HG13 VAL 26 HG13 VAL 26 3.158 39.845 -5.658 210 HG21 VAL 26 HG21 VAL 26 2.034 36.643 -7.178 211 HG22 VAL 26 HG22 VAL 26 2.261 38.345 -7.563 212 HG23 VAL 26 HG23 VAL 26 1.430 37.876 -6.011 213 H LYS 27 H LYS 27 6.433 36.048 -5.790 214 HA LYS 27 HA LYS 27 8.127 37.714 -4.529 215 HB2 LYS 27 HB2 LYS 27 8.548 34.841 -5.351 216 HB3 LYS 27 HB3 LYS 27 9.751 35.772 -4.470 217 HG2 LYS 27 HG2 LYS 27 8.247 36.123 -2.703 218 HG3 LYS 27 HG3 LYS 27 6.858 35.381 -3.508 219 HD2 LYS 27 HD2 LYS 27 8.017 33.280 -3.801 220 HD3 LYS 27 HD3 LYS 27 9.370 33.759 -2.718 221 HE2 LYS 27 HE2 LYS 27 7.478 34.103 -0.931 222 HE3 LYS 27 HE3 LYS 27 6.481 33.162 -2.074 223 HZ1 LYS 27 HZ1 LYS 27 7.419 31.263 -1.329 224 HZ2 LYS 27 HZ2 LYS 27 8.139 32.114 -0.110 225 HZ3 LYS 27 HZ3 LYS 27 8.993 31.758 -1.411 226 H ALA 28 H ALA 28 8.414 36.203 -7.682 227 HA ALA 28 HA ALA 28 10.919 37.423 -8.427 228 HB1 ALA 28 HB1 ALA 28 9.839 35.092 -9.214 229 HB2 ALA 28 HB2 ALA 28 10.522 36.118 -10.450 230 HB3 ALA 28 HB3 ALA 28 8.836 36.166 -10.213 231 H LYS 29 H LYS 29 7.618 38.543 -8.957 232 HA LYS 29 HA LYS 29 8.539 40.552 -10.708 233 HB2 LYS 29 HB2 LYS 29 5.804 40.007 -9.296 234 HB3 LYS 29 HB3 LYS 29 6.211 41.429 -10.299 235 HG2 LYS 29 HG2 LYS 29 6.767 39.712 -12.252 236 HG3 LYS 29 HG3 LYS 29 6.054 38.433 -11.174 237 HD2 LYS 29 HD2 LYS 29 4.085 39.713 -10.816 238 HD3 LYS 29 HD3 LYS 29 4.518 40.847 -12.125 239 HE2 LYS 29 HE2 LYS 29 4.553 38.721 -13.710 240 HE3 LYS 29 HE3 LYS 29 3.695 37.849 -12.430 241 HZ1 LYS 29 HZ1 LYS 29 1.926 39.175 -12.571 242 HZ2 LYS 29 HZ2 LYS 29 2.460 39.082 -14.147 243 HZ3 LYS 29 HZ3 LYS 29 2.839 40.509 -13.221 244 H ILE 30 H ILE 30 7.973 40.233 -7.234 245 HA ILE 30 HA ILE 30 8.738 42.817 -6.571 246 HB ILE 30 HB ILE 30 8.821 40.241 -5.004 247 HG12 ILE 30 HG12 ILE 30 7.094 42.661 -4.559 248 HG13 ILE 30 HG13 ILE 30 6.540 41.366 -5.658 249 HG21 ILE 30 HG21 ILE 30 9.836 42.995 -4.193 250 HG22 ILE 30 HG22 ILE 30 10.625 41.447 -4.048 251 HG23 ILE 30 HG23 ILE 30 9.259 41.741 -3.032 252 HD11 ILE 30 HD11 ILE 30 7.247 40.978 -2.744 253 HD12 ILE 30 HD12 ILE 30 6.735 39.715 -3.782 254 HD13 ILE 30 HD13 ILE 30 5.598 41.100 -3.484 255 H GLN 31 H GLN 31 10.854 39.950 -6.830 256 HA GLN 31 HA GLN 31 13.274 41.440 -6.613 257 HB2 GLN 31 HB2 GLN 31 13.159 39.124 -6.538 258 HB3 GLN 31 HB3 GLN 31 12.487 39.005 -8.218 259 HG2 GLN 31 HG2 GLN 31 14.892 38.312 -7.817 260 HG3 GLN 31 HG3 GLN 31 14.810 39.630 -9.051 261 HE21 GLN 31 HE21 GLN 31 16.398 41.097 -8.833 262 HE22 GLN 31 HE22 GLN 31 17.389 41.298 -7.472 263 H ASP 32 H ASP 32 11.462 41.202 -9.650 264 HA ASP 32 HA ASP 32 13.270 43.008 -10.959 265 HB2 ASP 32 HB2 ASP 32 10.272 42.430 -11.384 266 HB3 ASP 32 HB3 ASP 32 11.167 43.480 -12.531 267 H LYS 33 H LYS 33 10.276 43.815 -9.005 268 HA LYS 33 HA LYS 33 10.606 46.534 -9.596 269 HB2 LYS 33 HB2 LYS 33 8.506 45.433 -8.769 270 HB3 LYS 33 HB3 LYS 33 9.372 45.075 -7.214 271 HG2 LYS 33 HG2 LYS 33 7.849 47.065 -6.836 272 HG3 LYS 33 HG3 LYS 33 9.576 47.482 -6.832 273 HD2 LYS 33 HD2 LYS 33 9.215 48.050 -9.399 274 HD3 LYS 33 HD3 LYS 33 7.505 47.896 -9.101 275 HE2 LYS 33 HE2 LYS 33 8.043 50.359 -8.834 276 HE3 LYS 33 HE3 LYS 33 7.830 49.704 -7.234 277 HZ1 LYS 33 HZ1 LYS 33 10.507 49.908 -8.715 278 HZ2 LYS 33 HZ2 LYS 33 10.389 49.600 -7.112 279 HZ3 LYS 33 HZ3 LYS 33 9.889 51.091 -7.731 280 H GLU 34 H GLU 34 11.928 44.803 -6.851 281 HA GLU 34 HA GLU 34 13.257 47.312 -5.860 282 HB2 GLU 34 HB2 GLU 34 11.540 45.142 -4.379 283 HB3 GLU 34 HB3 GLU 34 12.548 46.371 -3.479 284 HG2 GLU 34 HG2 GLU 34 9.971 47.087 -4.924 285 HG3 GLU 34 HG3 GLU 34 10.501 47.150 -3.243 286 H GLY 35 H GLY 35 13.819 43.977 -6.732 287 HA2 GLY 35 HA2 GLY 35 15.736 42.912 -6.666 288 HA3 GLY 35 HA3 GLY 35 16.476 44.291 -5.999 289 H ILE 36 H ILE 36 13.804 42.548 -4.332 290 HA ILE 36 HA ILE 36 15.423 42.022 -2.146 291 HB ILE 36 HB ILE 36 12.488 41.764 -2.779 292 HG12 ILE 36 HG12 ILE 36 14.211 43.970 -1.464 293 HG13 ILE 36 HG13 ILE 36 13.108 44.101 -2.934 294 HG21 ILE 36 HG21 ILE 36 14.021 41.677 -0.134 295 HG22 ILE 36 HG22 ILE 36 13.106 40.323 -0.899 296 HG23 ILE 36 HG23 ILE 36 12.247 41.725 -0.175 297 HD11 ILE 36 HD11 ILE 36 11.528 45.040 -1.478 298 HD12 ILE 36 HD12 ILE 36 12.406 44.317 -0.064 299 HD13 ILE 36 HD13 ILE 36 11.278 43.404 -1.063 300 HA PRO 37 HA PRO 37 16.420 38.005 -3.776 301 HB2 PRO 37 HB2 PRO 37 16.294 37.249 -0.718 302 HB3 PRO 37 HB3 PRO 37 17.380 36.539 -2.017 303 HG2 PRO 37 HG2 PRO 37 18.137 38.644 -0.407 304 HG3 PRO 37 HG3 PRO 37 18.506 38.635 -2.213 305 HD2 PRO 37 HD2 PRO 37 16.469 40.171 -0.612 306 HD3 PRO 37 HD3 PRO 37 17.314 40.643 -2.128 307 HA PRO 38 HA PRO 38 12.236 36.374 -3.701 308 HB2 PRO 38 HB2 PRO 38 12.290 34.685 -5.913 309 HB3 PRO 38 HB3 PRO 38 12.219 36.430 -6.216 310 HG2 PRO 38 HG2 PRO 38 14.830 34.794 -6.265 311 HG3 PRO 38 HG3 PRO 38 14.182 36.015 -7.343 312 HD2 PRO 38 HD2 PRO 38 15.964 36.622 -5.288 313 HD3 PRO 38 HD3 PRO 38 14.522 37.720 -5.650 314 H ASP 39 H ASP 39 14.884 34.213 -3.471 315 HA ASP 39 HA ASP 39 13.310 32.029 -2.633 316 HB2 ASP 39 HB2 ASP 39 15.659 31.123 -1.786 317 HB3 ASP 39 HB3 ASP 39 15.378 31.342 -3.535 318 H GLN 40 H GLN 40 13.938 34.906 -0.967 319 HA GLN 40 HA GLN 40 14.032 33.479 1.580 320 HB2 GLN 40 HB2 GLN 40 15.021 36.114 0.724 321 HB3 GLN 40 HB3 GLN 40 15.239 35.512 2.380 322 HG2 GLN 40 HG2 GLN 40 16.395 34.153 -0.172 323 HG3 GLN 40 HG3 GLN 40 17.304 35.129 1.017 324 HE21 GLN 40 HE21 GLN 40 17.446 32.191 0.123 325 HE22 GLN 40 HE22 GLN 40 17.250 31.221 1.525 326 H GLN 41 H GLN 41 11.485 34.622 -0.076 327 HA GLN 41 HA GLN 41 10.548 36.716 1.758 328 HB2 GLN 41 HB2 GLN 41 9.479 35.893 -1.036 329 HB3 GLN 41 HB3 GLN 41 8.911 37.198 -0.026 330 HG2 GLN 41 HG2 GLN 41 11.162 38.240 -0.205 331 HG3 GLN 41 HG3 GLN 41 11.681 36.865 -1.221 332 HE21 GLN 41 HE21 GLN 41 11.943 38.815 -2.760 333 HE22 GLN 41 HE22 GLN 41 10.633 39.395 -3.679 334 H ARG 42 H ARG 42 8.722 36.245 3.092 335 HA ARG 42 HA ARG 42 6.944 33.948 2.369 336 HB2 ARG 42 HB2 ARG 42 7.685 35.112 5.228 337 HB3 ARG 42 HB3 ARG 42 6.478 33.884 4.971 338 HG2 ARG 42 HG2 ARG 42 9.432 33.430 4.328 339 HG3 ARG 42 HG3 ARG 42 8.663 32.947 5.864 340 HD2 ARG 42 HD2 ARG 42 7.670 31.808 3.221 341 HD3 ARG 42 HD3 ARG 42 9.105 31.182 4.012 342 HE ARG 42 HE ARG 42 6.915 31.317 5.909 343 HH11 ARG 42 HH11 ARG 42 7.477 29.511 2.948 344 HH12 ARG 42 HH12 ARG 42 7.324 28.012 3.748 345 HH21 ARG 42 HH21 ARG 42 6.445 29.119 6.755 346 HH22 ARG 42 HH22 ARG 42 6.378 27.751 5.668 347 H LEU 43 H LEU 43 5.366 34.794 1.302 348 HA LEU 43 HA LEU 43 4.430 37.403 2.275 349 HB2 LEU 43 HB2 LEU 43 3.902 35.754 -0.260 350 HB3 LEU 43 HB3 LEU 43 2.844 37.046 0.214 351 HG LEU 43 HG LEU 43 5.550 38.060 0.270 352 HD11 LEU 43 HD11 LEU 43 4.695 37.163 -2.491 353 HD12 LEU 43 HD12 LEU 43 5.929 36.296 -1.537 354 HD13 LEU 43 HD13 LEU 43 6.194 37.988 -2.097 355 HD21 LEU 43 HD21 LEU 43 3.529 39.338 0.334 356 HD22 LEU 43 HD22 LEU 43 3.225 38.931 -1.429 357 HD23 LEU 43 HD23 LEU 43 4.672 39.903 -0.763 358 H ILE 44 H ILE 44 2.651 37.607 3.479 359 HA ILE 44 HA ILE 44 0.920 35.225 4.028 360 HB ILE 44 HB ILE 44 1.680 37.619 5.643 361 HG12 ILE 44 HG12 ILE 44 2.239 35.227 7.074 362 HG13 ILE 44 HG13 ILE 44 2.647 34.774 5.475 363 HG21 ILE 44 HG21 ILE 44 -0.151 35.181 6.436 364 HG22 ILE 44 HG22 ILE 44 -0.723 36.856 6.394 365 HG23 ILE 44 HG23 ILE 44 0.490 36.325 7.583 366 HD11 ILE 44 HD11 ILE 44 3.946 37.204 5.448 367 HD12 ILE 44 HD12 ILE 44 4.692 35.921 6.364 368 HD13 ILE 44 HD13 ILE 44 3.688 37.132 7.241 369 H PHE 45 H PHE 45 -1.448 35.664 3.764 370 HA PHE 45 HA PHE 45 -2.287 38.449 3.801 371 HB2 PHE 45 HB2 PHE 45 -2.748 37.556 1.560 372 HB3 PHE 45 HB3 PHE 45 -3.394 36.097 2.223 373 HD1 PHE 45 HD1 PHE 45 -5.559 36.025 1.442 374 HD2 PHE 45 HD2 PHE 45 -3.959 39.760 2.625 375 HE1 PHE 45 HE1 PHE 45 -7.810 37.019 1.110 376 HE2 PHE 45 HE2 PHE 45 -5.946 40.924 1.794 377 HZ PHE 45 HZ PHE 45 -8.031 39.541 1.227 378 H ALA 46 H ALA 46 -3.005 39.091 5.584 379 HA ALA 46 HA ALA 46 -3.953 39.185 7.610 380 HB1 ALA 46 HB1 ALA 46 -6.285 37.940 6.050 381 HB2 ALA 46 HB2 ALA 46 -5.830 39.670 5.942 382 HB3 ALA 46 HB3 ALA 46 -6.295 38.968 7.499 383 H GLY 47 H GLY 47 -2.401 37.042 7.933 384 HA2 GLY 47 HA2 GLY 47 -2.226 35.348 9.633 385 HA3 GLY 47 HA3 GLY 47 -4.006 35.166 9.600 386 H LYS 48 H LYS 48 -2.755 34.856 6.328 387 HA LYS 48 HA LYS 48 -1.985 32.121 6.867 388 HB2 LYS 48 HB2 LYS 48 -4.204 31.853 6.162 389 HB3 LYS 48 HB3 LYS 48 -4.075 33.212 4.967 390 HG2 LYS 48 HG2 LYS 48 -4.376 31.130 3.875 391 HG3 LYS 48 HG3 LYS 48 -2.827 31.806 3.432 392 HD2 LYS 48 HD2 LYS 48 -2.455 29.531 3.621 393 HD3 LYS 48 HD3 LYS 48 -1.708 30.210 5.163 394 HE2 LYS 48 HE2 LYS 48 -3.833 29.697 6.400 395 HE3 LYS 48 HE3 LYS 48 -4.428 28.678 5.121 396 HZ1 LYS 48 HZ1 LYS 48 -2.556 27.292 5.268 397 HZ2 LYS 48 HZ2 LYS 48 -3.352 27.529 6.699 398 HZ3 LYS 48 HZ3 LYS 48 -1.787 28.226 6.388 399 H GLN 49 H GLN 49 0.128 31.897 6.351 400 HA GLN 49 HA GLN 49 1.681 33.053 4.338 401 HB2 GLN 49 HB2 GLN 49 2.203 31.812 6.407 402 HB3 GLN 49 HB3 GLN 49 2.034 30.233 5.610 403 HG2 GLN 49 HG2 GLN 49 3.922 32.724 4.999 404 HG3 GLN 49 HG3 GLN 49 4.485 31.098 5.622 405 HE21 GLN 49 HE21 GLN 49 3.777 29.184 3.673 406 HE22 GLN 49 HE22 GLN 49 4.505 29.660 2.245 407 H LEU 50 H LEU 50 1.748 32.774 2.186 408 HA LEU 50 HA LEU 50 -0.320 31.140 1.182 409 HB2 LEU 50 HB2 LEU 50 1.213 33.516 -0.029 410 HB3 LEU 50 HB3 LEU 50 -0.276 32.690 -0.725 411 HG LEU 50 HG LEU 50 -0.005 34.308 1.897 412 HD11 LEU 50 HD11 LEU 50 -0.849 35.159 -0.929 413 HD12 LEU 50 HD12 LEU 50 0.247 36.058 0.086 414 HD13 LEU 50 HD13 LEU 50 -1.436 36.085 0.513 415 HD21 LEU 50 HD21 LEU 50 -1.880 32.709 1.918 416 HD22 LEU 50 HD22 LEU 50 -2.495 33.411 0.436 417 HD23 LEU 50 HD23 LEU 50 -2.474 34.370 1.980 418 H GLU 51 H GLU 51 0.358 29.211 0.290 419 HA GLU 51 HA GLU 51 2.879 28.250 -0.013 420 HB2 GLU 51 HB2 GLU 51 0.263 27.381 -1.229 421 HB3 GLU 51 HB3 GLU 51 1.786 26.484 -1.384 422 HG2 GLU 51 HG2 GLU 51 1.664 26.347 1.247 423 HG3 GLU 51 HG3 GLU 51 0.179 27.160 1.197 424 H ASP 52 H ASP 52 4.190 27.970 -1.961 425 HA ASP 52 HA ASP 52 4.379 30.384 -3.376 426 HB2 ASP 52 HB2 ASP 52 5.886 27.751 -3.540 427 HB3 ASP 52 HB3 ASP 52 6.260 28.955 -4.734 428 H GLY 53 H GLY 53 2.924 27.470 -4.296 429 HA2 GLY 53 HA2 GLY 53 2.981 28.090 -7.211 430 HA3 GLY 53 HA3 GLY 53 2.421 26.561 -6.392 431 H ARG 54 H ARG 54 1.012 28.775 -4.613 432 HA ARG 54 HA ARG 54 -1.644 28.221 -5.773 433 HB2 ARG 54 HB2 ARG 54 -0.814 29.639 -3.273 434 HB3 ARG 54 HB3 ARG 54 -2.549 29.426 -3.748 435 HG2 ARG 54 HG2 ARG 54 -0.458 27.284 -3.143 436 HG3 ARG 54 HG3 ARG 54 -1.696 27.828 -2.000 437 HD2 ARG 54 HD2 ARG 54 -3.541 26.900 -3.543 438 HD3 ARG 54 HD3 ARG 54 -2.220 26.158 -4.492 439 HE ARG 54 HE ARG 54 -1.696 25.591 -1.777 440 HH11 ARG 54 HH11 ARG 54 -4.091 24.654 -4.132 441 HH12 ARG 54 HH12 ARG 54 -4.247 23.066 -3.382 442 HH21 ARG 54 HH21 ARG 54 -1.913 23.735 -0.915 443 HH22 ARG 54 HH22 ARG 54 -2.885 22.462 -1.678 444 H THR 55 H THR 55 -3.312 30.038 -6.127 445 HA THR 55 HA THR 55 -1.830 32.316 -7.257 446 HB THR 55 HB THR 55 -3.546 32.560 -8.993 447 HG1 THR 55 HG1 THR 55 -4.833 30.465 -7.745 448 HG21 THR 55 HG21 THR 55 -2.384 29.639 -8.625 449 HG22 THR 55 HG22 THR 55 -1.750 31.043 -9.474 450 HG23 THR 55 HG23 THR 55 -3.234 30.267 -10.070 451 H LEU 56 H LEU 56 -2.999 34.329 -7.415 452 HA LEU 56 HA LEU 56 -3.953 35.232 -4.863 453 HB2 LEU 56 HB2 LEU 56 -4.512 36.373 -7.644 454 HB3 LEU 56 HB3 LEU 56 -4.635 37.252 -6.174 455 HG LEU 56 HG LEU 56 -2.121 36.376 -7.523 456 HD11 LEU 56 HD11 LEU 56 -2.996 38.253 -8.327 457 HD12 LEU 56 HD12 LEU 56 -1.438 38.665 -7.474 458 HD13 LEU 56 HD13 LEU 56 -2.984 39.124 -6.704 459 HD21 LEU 56 HD21 LEU 56 -0.685 37.024 -5.714 460 HD22 LEU 56 HD22 LEU 56 -1.799 35.923 -4.911 461 HD23 LEU 56 HD23 LEU 56 -2.039 37.666 -4.724 462 H SER 57 H SER 57 -5.725 34.229 -7.837 463 HA SER 57 HA SER 57 -8.323 34.502 -6.952 464 HB2 SER 57 HB2 SER 57 -7.169 32.089 -8.479 465 HB3 SER 57 HB3 SER 57 -8.878 32.650 -8.363 466 HG SER 57 HG SER 57 -8.252 34.724 -9.172 467 H ASP 58 H ASP 58 -6.162 31.847 -5.961 468 HA ASP 58 HA ASP 58 -8.081 29.938 -5.009 469 HB2 ASP 58 HB2 ASP 58 -5.085 30.159 -4.361 470 HB3 ASP 58 HB3 ASP 58 -6.136 28.906 -3.834 471 H TYR 59 H TYR 59 -6.082 32.531 -3.448 472 HA TYR 59 HA TYR 59 -7.321 31.930 -0.794 473 HB2 TYR 59 HB2 TYR 59 -4.927 33.874 -1.523 474 HB3 TYR 59 HB3 TYR 59 -5.659 33.509 0.077 475 HD1 TYR 59 HD1 TYR 59 -3.132 32.451 -2.173 476 HD2 TYR 59 HD2 TYR 59 -5.827 31.301 0.963 477 HE1 TYR 59 HE1 TYR 59 -1.538 30.519 -1.436 478 HE2 TYR 59 HE2 TYR 59 -4.366 29.343 1.477 479 HH TYR 59 HH TYR 59 -2.325 28.294 0.958 480 H ASN 60 H ASN 60 -8.463 33.808 -3.187 481 HA ASN 60 HA ASN 60 -9.929 35.441 -3.189 482 HB2 ASN 60 HB2 ASN 60 -10.102 35.539 -0.246 483 HB3 ASN 60 HB3 ASN 60 -11.384 35.967 -1.491 484 HD21 ASN 60 HD21 ASN 60 -11.800 33.919 -2.939 485 HD22 ASN 60 HD22 ASN 60 -12.312 32.555 -1.943 486 H ILE 61 H ILE 61 -7.240 36.046 -3.629 487 HA ILE 61 HA ILE 61 -6.891 38.566 -2.245 488 HB ILE 61 HB ILE 61 -4.971 37.028 -3.969 489 HG12 ILE 61 HG12 ILE 61 -4.799 37.536 -0.904 490 HG13 ILE 61 HG13 ILE 61 -5.556 36.136 -1.572 491 HG21 ILE 61 HG21 ILE 61 -4.712 39.548 -4.145 492 HG22 ILE 61 HG22 ILE 61 -3.307 38.979 -3.372 493 HG23 ILE 61 HG23 ILE 61 -4.569 39.566 -2.372 494 HD11 ILE 61 HD11 ILE 61 -2.543 36.853 -2.162 495 HD12 ILE 61 HD12 ILE 61 -3.280 35.350 -2.595 496 HD13 ILE 61 HD13 ILE 61 -3.119 35.922 -0.828 497 H GLN 62 H GLN 62 -8.308 39.804 -3.038 498 HA GLN 62 HA GLN 62 -8.751 40.223 -5.810 499 HB2 GLN 62 HB2 GLN 62 -10.457 41.930 -5.096 500 HB3 GLN 62 HB3 GLN 62 -10.505 40.383 -4.240 501 HG2 GLN 62 HG2 GLN 62 -9.443 41.217 -2.248 502 HG3 GLN 62 HG3 GLN 62 -9.223 42.875 -3.013 503 HE21 GLN 62 HE21 GLN 62 -11.317 43.881 -3.694 504 HE22 GLN 62 HE22 GLN 62 -12.609 43.877 -2.547 505 H LYS 63 H LYS 63 -8.525 42.301 -6.854 506 HA LYS 63 HA LYS 63 -6.176 43.853 -6.485 507 HB2 LYS 63 HB2 LYS 63 -7.241 45.558 -8.131 508 HB3 LYS 63 HB3 LYS 63 -7.716 43.916 -8.663 509 HG2 LYS 63 HG2 LYS 63 -9.885 44.271 -7.218 510 HG3 LYS 63 HG3 LYS 63 -9.366 45.933 -6.992 511 HD2 LYS 63 HD2 LYS 63 -10.764 46.101 -8.741 512 HD3 LYS 63 HD3 LYS 63 -9.158 46.185 -9.488 513 HE2 LYS 63 HE2 LYS 63 -9.535 43.708 -10.203 514 HE3 LYS 63 HE3 LYS 63 -11.207 43.805 -9.500 515 HZ1 LYS 63 HZ1 LYS 63 -11.850 45.262 -11.182 516 HZ2 LYS 63 HZ2 LYS 63 -10.905 44.114 -11.963 517 HZ3 LYS 63 HZ3 LYS 63 -10.297 45.646 -11.651 518 H GLU 64 H GLU 64 -5.606 45.772 -5.680 519 HA GLU 64 HA GLU 64 -5.153 47.037 -3.918 520 HB2 GLU 64 HB2 GLU 64 -8.172 47.659 -3.906 521 HB3 GLU 64 HB3 GLU 64 -6.925 48.477 -2.914 522 HG2 GLU 64 HG2 GLU 64 -5.592 49.073 -5.012 523 HG3 GLU 64 HG3 GLU 64 -6.875 48.307 -5.951 524 H SER 65 H SER 65 -5.979 44.139 -3.390 525 HA SER 65 HA SER 65 -6.227 44.203 -0.533 526 HB2 SER 65 HB2 SER 65 -5.035 41.969 -2.079 527 HB3 SER 65 HB3 SER 65 -5.516 41.973 -0.334 528 HG SER 65 HG SER 65 -6.916 42.010 -2.702 529 H THR 66 H THR 66 -4.651 44.203 1.096 530 HA THR 66 HA THR 66 -1.955 44.889 0.294 531 HB THR 66 HB THR 66 -3.452 45.308 2.940 532 HG1 THR 66 HG1 THR 66 -3.523 46.994 1.569 533 HG21 THR 66 HG21 THR 66 -0.349 45.683 2.409 534 HG22 THR 66 HG22 THR 66 -1.092 44.467 3.437 535 HG23 THR 66 HG23 THR 66 -1.320 46.138 3.855 536 H LEU 67 H LEU 67 -0.576 43.235 0.260 537 HA LEU 67 HA LEU 67 -0.956 40.876 1.860 538 HB2 LEU 67 HB2 LEU 67 1.188 41.354 -0.241 539 HB3 LEU 67 HB3 LEU 67 0.856 39.808 0.685 540 HG LEU 67 HG LEU 67 -0.759 40.995 -1.531 541 HD11 LEU 67 HD11 LEU 67 1.037 39.264 -2.110 542 HD12 LEU 67 HD12 LEU 67 -0.612 38.662 -2.517 543 HD13 LEU 67 HD13 LEU 67 0.294 38.057 -1.113 544 HD21 LEU 67 HD21 LEU 67 -2.455 39.067 -0.949 545 HD22 LEU 67 HD22 LEU 67 -2.592 40.569 -0.011 546 HD23 LEU 67 HD23 LEU 67 -1.780 39.143 0.682 547 H HIS 68 H HIS 68 0.787 40.177 3.241 548 HA HIS 68 HA HIS 68 2.498 42.349 4.187 549 HB2 HIS 68 HB2 HIS 68 1.602 39.998 5.690 550 HB3 HIS 68 HB3 HIS 68 2.984 41.082 6.175 551 HD1 HIS 68 HD1 HIS 68 0.350 40.801 7.868 552 HD2 HIS 68 HD2 HIS 68 1.033 43.692 4.980 553 HE1 HIS 68 HE1 HIS 68 -0.862 42.793 8.669 554 H LEU 69 H LEU 69 4.671 42.125 3.917 555 HA LEU 69 HA LEU 69 5.806 39.721 2.829 556 HB2 LEU 69 HB2 LEU 69 5.974 41.714 1.434 557 HB3 LEU 69 HB3 LEU 69 6.975 42.500 2.640 558 HG LEU 69 HG LEU 69 8.681 40.703 2.493 559 HD11 LEU 69 HD11 LEU 69 8.712 39.140 0.645 560 HD12 LEU 69 HD12 LEU 69 7.032 39.633 0.107 561 HD13 LEU 69 HD13 LEU 69 7.149 38.798 1.568 562 HD21 LEU 69 HD21 LEU 69 9.598 41.490 0.344 563 HD22 LEU 69 HD22 LEU 69 8.667 42.819 1.040 564 HD23 LEU 69 HD23 LEU 69 7.990 41.865 -0.339 565 H VAL 70 H VAL 70 7.179 38.543 3.987 566 HA VAL 70 HA VAL 70 8.768 39.836 6.254 567 HB VAL 70 HB VAL 70 7.502 37.002 6.296 568 HG11 VAL 70 HG11 VAL 70 9.778 37.071 7.334 569 HG12 VAL 70 HG12 VAL 70 8.529 36.879 8.450 570 HG13 VAL 70 HG13 VAL 70 9.251 38.461 8.344 571 HG21 VAL 70 HG21 VAL 70 6.778 39.649 7.736 572 HG22 VAL 70 HG22 VAL 70 6.627 38.068 8.494 573 HG23 VAL 70 HG23 VAL 70 5.688 38.449 7.108 574 H LEU 71 H LEU 71 10.815 39.732 5.939 575 HA LEU 71 HA LEU 71 11.850 37.679 4.052 576 HB2 LEU 71 HB2 LEU 71 13.040 40.235 5.232 577 HB3 LEU 71 HB3 LEU 71 14.113 39.001 4.633 578 HG LEU 71 HG LEU 71 13.778 40.743 2.876 579 HD11 LEU 71 HD11 LEU 71 14.100 38.146 2.439 580 HD12 LEU 71 HD12 LEU 71 13.819 39.336 1.111 581 HD13 LEU 71 HD13 LEU 71 12.507 38.255 1.717 582 HD21 LEU 71 HD21 LEU 71 11.295 41.256 3.446 583 HD22 LEU 71 HD22 LEU 71 10.919 39.683 2.714 584 HD23 LEU 71 HD23 LEU 71 11.675 40.853 1.711 585 H ARG 72 H ARG 72 13.138 35.928 4.466 586 HA ARG 72 HA ARG 72 13.443 35.272 7.250 587 HB2 ARG 72 HB2 ARG 72 13.469 33.524 4.865 588 HB3 ARG 72 HB3 ARG 72 14.020 33.019 6.519 589 HG2 ARG 72 HG2 ARG 72 11.752 33.996 7.312 590 HG3 ARG 72 HG3 ARG 72 11.106 33.847 5.684 591 HD2 ARG 72 HD2 ARG 72 12.322 31.530 7.426 592 HD3 ARG 72 HD3 ARG 72 10.677 32.017 7.410 593 HE ARG 72 HE ARG 72 12.121 31.387 4.826 594 HH11 ARG 72 HH11 ARG 72 10.179 29.615 7.197 595 HH12 ARG 72 HH12 ARG 72 10.175 28.224 6.184 596 HH21 ARG 72 HH21 ARG 72 11.811 29.531 3.554 597 HH22 ARG 72 HH22 ARG 72 10.857 28.288 4.281 598 H LEU 73 H LEU 73 15.261 37.118 5.401 599 HA LEU 73 HA LEU 73 17.856 36.052 5.136 600 HB2 LEU 73 HB2 LEU 73 16.877 38.929 5.635 601 HB3 LEU 73 HB3 LEU 73 18.473 38.312 5.082 602 HG LEU 73 HG LEU 73 15.851 37.949 3.635 603 HD11 LEU 73 HD11 LEU 73 16.245 40.282 3.703 604 HD12 LEU 73 HD12 LEU 73 16.680 39.832 2.107 605 HD13 LEU 73 HD13 LEU 73 17.974 40.072 3.407 606 HD21 LEU 73 HD21 LEU 73 17.347 37.429 1.715 607 HD22 LEU 73 HD22 LEU 73 17.523 36.267 3.086 608 HD23 LEU 73 HD23 LEU 73 18.775 37.553 2.810 609 H ARG 74 H ARG 74 19.585 35.661 6.239 610 HA ARG 74 HA ARG 74 20.015 36.374 8.949 611 HB2 ARG 74 HB2 ARG 74 19.915 33.500 8.024 612 HB3 ARG 74 HB3 ARG 74 20.606 33.984 9.651 613 HG2 ARG 74 HG2 ARG 74 17.665 34.538 8.942 614 HG3 ARG 74 HG3 ARG 74 18.376 33.056 9.694 615 HD2 ARG 74 HD2 ARG 74 19.296 34.609 11.521 616 HD3 ARG 74 HD3 ARG 74 18.263 35.956 10.896 617 HE ARG 74 HE ARG 74 16.451 34.926 11.625 618 HH11 ARG 74 HH11 ARG 74 18.897 32.499 11.738 619 HH12 ARG 74 HH12 ARG 74 17.904 31.217 12.240 620 HH21 ARG 74 HH21 ARG 74 15.170 33.387 12.433 621 HH22 ARG 74 HH22 ARG 74 15.675 31.745 12.869 622 H GLY 75 H GLY 75 22.556 35.489 9.486 623 HA2 GLY 75 HA2 GLY 75 23.909 37.174 7.669 624 HA3 GLY 75 HA3 GLY 75 24.493 36.280 9.095 625 H GLY 76 H GLY 76 26.340 36.374 7.987 626 HA2 GLY 76 HA2 GLY 76 26.927 33.853 6.532 627 HA3 GLY 76 HA3 GLY 76 27.028 35.416 5.637 Start of MODEL 15 1 H MET 1 HT1 MET 1 -4.777 42.806 -12.542 2 HA MET 1 HA MET 1 -4.777 45.320 -11.820 3 HB2 MET 1 HB2 MET 1 -6.338 45.022 -9.979 4 HB3 MET 1 HB3 MET 1 -6.721 43.975 -11.434 5 HG2 MET 1 HG2 MET 1 -7.362 42.833 -9.477 6 HG3 MET 1 HG3 MET 1 -6.045 41.967 -10.331 7 HE1 MET 1 HE1 MET 1 -5.519 40.051 -8.312 8 HE2 MET 1 HE2 MET 1 -6.896 40.901 -7.474 9 HE3 MET 1 HE3 MET 1 -5.421 40.688 -6.606 10 H GLN 2 H GLN 2 -4.575 46.843 -9.808 11 HA GLN 2 HA GLN 2 -2.051 46.563 -8.695 12 HB2 GLN 2 HB2 GLN 2 -4.245 48.528 -7.538 13 HB3 GLN 2 HB3 GLN 2 -2.508 48.518 -7.463 14 HG2 GLN 2 HG2 GLN 2 -2.132 48.934 -9.679 15 HG3 GLN 2 HG3 GLN 2 -3.793 49.039 -10.221 16 HE21 GLN 2 HE21 GLN 2 -5.141 50.685 -8.604 17 HE22 GLN 2 HE22 GLN 2 -4.251 52.147 -8.202 18 H ILE 3 H ILE 3 -1.286 45.738 -6.752 19 HA ILE 3 HA ILE 3 -3.206 45.561 -4.545 20 HB ILE 3 HB ILE 3 -2.123 43.542 -3.521 21 HG12 ILE 3 HG12 ILE 3 -0.934 43.040 -6.295 22 HG13 ILE 3 HG13 ILE 3 0.042 43.694 -4.950 23 HG21 ILE 3 HG21 ILE 3 -3.451 41.964 -4.944 24 HG22 ILE 3 HG22 ILE 3 -3.341 43.280 -6.209 25 HG23 ILE 3 HG23 ILE 3 -4.293 43.516 -4.698 26 HD11 ILE 3 HD11 ILE 3 -1.418 41.067 -4.576 27 HD12 ILE 3 HD12 ILE 3 -0.040 41.705 -3.656 28 HD13 ILE 3 HD13 ILE 3 0.342 41.113 -5.201 29 H PHE 4 H PHE 4 -2.065 45.723 -2.469 30 HA PHE 4 HA PHE 4 0.604 46.959 -2.842 31 HB2 PHE 4 HB2 PHE 4 -1.326 47.149 -0.521 32 HB3 PHE 4 HB3 PHE 4 0.222 48.062 -0.691 33 HD1 PHE 4 HD1 PHE 4 -3.358 48.213 -0.963 34 HD2 PHE 4 HD2 PHE 4 0.216 49.507 -3.048 35 HE1 PHE 4 HE1 PHE 4 -4.607 49.918 -1.960 36 HE2 PHE 4 HE2 PHE 4 -1.105 51.352 -4.049 37 HZ PHE 4 HZ PHE 4 -3.509 51.528 -3.605 38 H VAL 5 H VAL 5 2.295 46.297 -1.788 39 HA VAL 5 HA VAL 5 2.015 44.265 0.297 40 HB VAL 5 HB VAL 5 4.576 44.652 -1.260 41 HG11 VAL 5 HG11 VAL 5 5.208 42.471 -0.254 42 HG12 VAL 5 HG12 VAL 5 3.650 42.331 0.506 43 HG13 VAL 5 HG13 VAL 5 4.765 43.745 0.890 44 HG21 VAL 5 HG21 VAL 5 3.773 42.346 -2.446 45 HG22 VAL 5 HG22 VAL 5 2.716 43.811 -2.752 46 HG23 VAL 5 HG23 VAL 5 2.345 42.581 -1.538 47 H LYS 6 H LYS 6 2.303 45.023 2.221 48 HA LYS 6 HA LYS 6 4.091 47.071 2.870 49 HB2 LYS 6 HB2 LYS 6 2.639 45.088 4.787 50 HB3 LYS 6 HB3 LYS 6 3.413 46.619 5.269 51 HG2 LYS 6 HG2 LYS 6 1.076 46.523 3.374 52 HG3 LYS 6 HG3 LYS 6 0.860 46.654 5.123 53 HD2 LYS 6 HD2 LYS 6 1.965 48.807 5.209 54 HD3 LYS 6 HD3 LYS 6 2.303 48.806 3.462 55 HE2 LYS 6 HE2 LYS 6 -0.138 48.711 2.835 56 HE3 LYS 6 HE3 LYS 6 -0.533 48.715 4.578 57 HZ1 LYS 6 HZ1 LYS 6 -0.363 50.950 4.524 58 HZ2 LYS 6 HZ2 LYS 6 -0.210 50.743 2.840 59 HZ3 LYS 6 HZ3 LYS 6 1.165 50.932 3.849 60 H THR 7 H THR 7 6.147 46.928 3.440 61 HA THR 7 HA THR 7 7.225 44.222 3.652 62 HB THR 7 HB THR 7 9.335 45.064 2.970 63 HG1 THR 7 HG1 THR 7 9.808 47.302 2.801 64 HG21 THR 7 HG21 THR 7 7.443 45.027 1.369 65 HG22 THR 7 HG22 THR 7 8.810 45.934 0.688 66 HG23 THR 7 HG23 THR 7 7.449 46.851 1.236 67 H LEU 8 H LEU 8 9.335 43.946 5.002 68 HA LEU 8 HA LEU 8 8.216 44.111 7.705 69 HB2 LEU 8 HB2 LEU 8 9.620 42.226 6.642 70 HB3 LEU 8 HB3 LEU 8 11.011 43.159 6.860 71 HG LEU 8 HG LEU 8 10.652 43.139 9.289 72 HD11 LEU 8 HD11 LEU 8 8.351 43.108 9.813 73 HD12 LEU 8 HD12 LEU 8 8.871 41.482 10.256 74 HD13 LEU 8 HD13 LEU 8 8.015 41.735 8.725 75 HD21 LEU 8 HD21 LEU 8 10.774 40.655 9.789 76 HD22 LEU 8 HD22 LEU 8 11.902 41.103 8.486 77 HD23 LEU 8 HD23 LEU 8 10.380 40.371 8.112 78 H THR 9 H THR 9 9.938 46.324 5.784 79 HA THR 9 HA THR 9 11.202 47.767 8.117 80 HB THR 9 HB THR 9 12.245 49.255 6.434 81 HG1 THR 9 HG1 THR 9 12.153 48.731 4.341 82 HG21 THR 9 HG21 THR 9 13.949 47.623 5.657 83 HG22 THR 9 HG22 THR 9 12.885 46.274 6.186 84 HG23 THR 9 HG23 THR 9 13.501 47.416 7.410 85 H GLY 10 H GLY 10 8.273 47.464 6.688 86 HA2 GLY 10 HA2 GLY 10 6.423 48.573 7.023 87 HA3 GLY 10 HA3 GLY 10 7.335 49.840 7.723 88 H LYS 11 H LYS 11 8.075 48.949 4.429 89 HA LYS 11 HA LYS 11 7.166 51.522 3.403 90 HB2 LYS 11 HB2 LYS 11 9.560 50.321 2.943 91 HB3 LYS 11 HB3 LYS 11 8.554 49.179 1.973 92 HG2 LYS 11 HG2 LYS 11 7.725 51.120 0.603 93 HG3 LYS 11 HG3 LYS 11 8.569 52.271 1.579 94 HD2 LYS 11 HD2 LYS 11 10.785 51.392 0.908 95 HD3 LYS 11 HD3 LYS 11 10.023 50.017 0.128 96 HE2 LYS 11 HE2 LYS 11 9.330 51.339 -1.826 97 HE3 LYS 11 HE3 LYS 11 9.647 52.847 -0.887 98 HZ1 LYS 11 HZ1 LYS 11 11.388 52.305 -2.516 99 HZ2 LYS 11 HZ2 LYS 11 11.721 50.815 -1.771 100 HZ3 LYS 11 HZ3 LYS 11 11.994 52.281 -0.940 101 H THR 12 H THR 12 5.567 51.516 1.769 102 HA THR 12 HA THR 12 4.068 49.041 1.161 103 HB THR 12 HB THR 12 3.199 51.895 0.734 104 HG1 THR 12 HG1 THR 12 3.493 51.483 2.866 105 HG21 THR 12 HG21 THR 12 1.128 51.174 0.379 106 HG22 THR 12 HG22 THR 12 1.342 49.412 0.850 107 HG23 THR 12 HG23 THR 12 1.997 50.025 -0.643 108 H ILE 13 H ILE 13 4.296 48.297 -0.727 109 HA ILE 13 HA ILE 13 5.047 49.993 -3.007 110 HB ILE 13 HB ILE 13 5.982 47.844 -4.010 111 HG12 ILE 13 HG12 ILE 13 6.581 47.291 -1.061 112 HG13 ILE 13 HG13 ILE 13 5.192 46.576 -1.773 113 HG21 ILE 13 HG21 ILE 13 8.246 48.649 -2.760 114 HG22 ILE 13 HG22 ILE 13 7.257 49.725 -1.921 115 HG23 ILE 13 HG23 ILE 13 7.204 49.859 -3.714 116 HD11 ILE 13 HD11 ILE 13 6.825 44.807 -1.985 117 HD12 ILE 13 HD12 ILE 13 8.045 46.011 -2.575 118 HD13 ILE 13 HD13 ILE 13 6.626 45.654 -3.635 119 H THR 14 H THR 14 4.145 49.628 -5.048 120 HA THR 14 HA THR 14 1.582 48.254 -4.787 121 HB THR 14 HB THR 14 2.195 50.484 -6.869 122 HG1 THR 14 HG1 THR 14 2.471 51.198 -4.658 123 HG21 THR 14 HG21 THR 14 -0.319 50.767 -6.609 124 HG22 THR 14 HG22 THR 14 -0.289 49.289 -5.622 125 HG23 THR 14 HG23 THR 14 0.313 49.269 -7.370 126 H LEU 15 H LEU 15 1.130 46.638 -6.338 127 HA LEU 15 HA LEU 15 3.423 46.018 -8.240 128 HB2 LEU 15 HB2 LEU 15 1.921 44.259 -6.280 129 HB3 LEU 15 HB3 LEU 15 3.127 43.703 -7.478 130 HG LEU 15 HG LEU 15 3.784 45.467 -5.122 131 HD11 LEU 15 HD11 LEU 15 3.171 43.069 -4.732 132 HD12 LEU 15 HD12 LEU 15 4.872 43.457 -4.336 133 HD13 LEU 15 HD13 LEU 15 4.478 42.498 -5.790 134 HD21 LEU 15 HD21 LEU 15 6.086 44.648 -5.876 135 HD22 LEU 15 HD22 LEU 15 5.319 46.140 -6.550 136 HD23 LEU 15 HD23 LEU 15 5.444 44.585 -7.518 137 H GLU 16 H GLU 16 2.664 44.629 -10.027 138 HA GLU 16 HA GLU 16 -0.363 44.539 -10.378 139 HB2 GLU 16 HB2 GLU 16 1.682 45.357 -12.511 140 HB3 GLU 16 HB3 GLU 16 0.203 44.663 -12.980 141 HG2 GLU 16 HG2 GLU 16 -1.000 46.509 -11.390 142 HG3 GLU 16 HG3 GLU 16 0.562 47.312 -11.523 143 H VAL 17 H VAL 17 -1.063 42.624 -10.453 144 HA VAL 17 HA VAL 17 0.259 40.436 -11.756 145 HB VAL 17 HB VAL 17 0.030 38.952 -9.700 146 HG11 VAL 17 HG11 VAL 17 2.251 39.633 -10.357 147 HG12 VAL 17 HG12 VAL 17 2.156 39.774 -8.609 148 HG13 VAL 17 HG13 VAL 17 2.129 41.203 -9.604 149 HG21 VAL 17 HG21 VAL 17 -0.531 41.667 -8.247 150 HG22 VAL 17 HG22 VAL 17 -0.276 40.064 -7.424 151 HG23 VAL 17 HG23 VAL 17 -1.588 40.321 -8.451 152 H GLU 18 H GLU 18 -1.268 38.570 -11.952 153 HA GLU 18 HA GLU 18 -3.943 39.697 -12.120 154 HB2 GLU 18 HB2 GLU 18 -2.300 37.761 -13.622 155 HB3 GLU 18 HB3 GLU 18 -4.001 37.507 -13.787 156 HG2 GLU 18 HG2 GLU 18 -2.578 39.968 -14.830 157 HG3 GLU 18 HG3 GLU 18 -3.572 38.699 -15.622 158 HA PRO 19 HA PRO 19 -5.762 36.587 -9.449 159 HB2 PRO 19 HB2 PRO 19 -7.372 35.711 -11.858 160 HB3 PRO 19 HB3 PRO 19 -7.850 35.854 -10.154 161 HG2 PRO 19 HG2 PRO 19 -8.383 37.976 -11.862 162 HG3 PRO 19 HG3 PRO 19 -7.775 38.256 -10.218 163 HD2 PRO 19 HD2 PRO 19 -6.191 38.527 -12.693 164 HD3 PRO 19 HD3 PRO 19 -6.142 39.340 -11.114 165 H SER 20 H SER 20 -4.934 35.074 -12.512 166 HA SER 20 HA SER 20 -4.370 32.548 -11.095 167 HB2 SER 20 HB2 SER 20 -4.071 33.309 -14.042 168 HB3 SER 20 HB3 SER 20 -3.830 31.646 -13.374 169 HG SER 20 HG SER 20 -6.097 33.226 -13.552 170 H ASP 21 H ASP 21 -2.481 35.251 -11.206 171 HA ASP 21 HA ASP 21 -0.044 33.893 -11.901 172 HB2 ASP 21 HB2 ASP 21 -0.522 36.594 -10.531 173 HB3 ASP 21 HB3 ASP 21 1.114 35.914 -10.787 174 H THR 22 H THR 22 1.518 32.690 -10.826 175 HA THR 22 HA THR 22 0.846 31.763 -8.215 176 HB THR 22 HB THR 22 3.209 30.946 -8.062 177 HG1 THR 22 HG1 THR 22 2.945 31.545 -10.834 178 HG21 THR 22 HG21 THR 22 2.536 29.145 -9.558 179 HG22 THR 22 HG22 THR 22 1.149 30.026 -10.291 180 HG23 THR 22 HG23 THR 22 1.289 29.701 -8.513 181 H ILE 23 H ILE 23 1.795 32.165 -6.147 182 HA ILE 23 HA ILE 23 2.310 34.754 -5.577 183 HB ILE 23 HB ILE 23 2.230 32.264 -4.057 184 HG12 ILE 23 HG12 ILE 23 0.729 33.810 -2.581 185 HG13 ILE 23 HG13 ILE 23 1.151 35.097 -3.756 186 HG21 ILE 23 HG21 ILE 23 4.192 33.098 -2.957 187 HG22 ILE 23 HG22 ILE 23 2.884 33.500 -1.944 188 HG23 ILE 23 HG23 ILE 23 3.603 34.751 -3.079 189 HD11 ILE 23 HD11 ILE 23 -0.682 32.727 -4.327 190 HD12 ILE 23 HD12 ILE 23 -0.036 33.833 -5.557 191 HD13 ILE 23 HD13 ILE 23 -0.902 34.510 -4.138 192 H GLU 24 H GLU 24 4.397 32.172 -6.242 193 HA GLU 24 HA GLU 24 6.964 33.189 -5.912 194 HB2 GLU 24 HB2 GLU 24 6.519 30.953 -6.453 195 HB3 GLU 24 HB3 GLU 24 6.034 31.481 -8.118 196 HG2 GLU 24 HG2 GLU 24 8.369 32.359 -8.515 197 HG3 GLU 24 HG3 GLU 24 8.857 31.584 -7.008 198 H ASN 25 H ASN 25 4.857 34.058 -8.753 199 HA ASN 25 HA ASN 25 6.930 35.627 -10.002 200 HB2 ASN 25 HB2 ASN 25 3.982 35.129 -10.592 201 HB3 ASN 25 HB3 ASN 25 5.034 36.264 -11.548 202 HD21 ASN 25 HD21 ASN 25 3.786 33.833 -12.498 203 HD22 ASN 25 HD22 ASN 25 4.965 32.700 -12.850 204 H VAL 26 H VAL 26 4.165 36.275 -7.756 205 HA VAL 26 HA VAL 26 4.456 39.015 -7.791 206 HB VAL 26 HB VAL 26 3.718 37.385 -5.281 207 HG11 VAL 26 HG11 VAL 26 3.905 39.933 -4.937 208 HG12 VAL 26 HG12 VAL 26 2.212 39.340 -4.806 209 HG13 VAL 26 HG13 VAL 26 2.696 40.116 -6.249 210 HG21 VAL 26 HG21 VAL 26 2.330 36.430 -7.129 211 HG22 VAL 26 HG22 VAL 26 1.916 38.034 -7.728 212 HG23 VAL 26 HG23 VAL 26 1.306 37.484 -6.143 213 H LYS 27 H LYS 27 5.942 36.699 -5.676 214 HA LYS 27 HA LYS 27 7.623 38.363 -4.076 215 HB2 LYS 27 HB2 LYS 27 8.094 35.526 -5.132 216 HB3 LYS 27 HB3 LYS 27 9.149 36.367 -4.078 217 HG2 LYS 27 HG2 LYS 27 7.251 36.160 -2.237 218 HG3 LYS 27 HG3 LYS 27 6.210 35.654 -3.590 219 HD2 LYS 27 HD2 LYS 27 6.634 33.586 -2.731 220 HD3 LYS 27 HD3 LYS 27 8.027 33.626 -3.878 221 HE2 LYS 27 HE2 LYS 27 9.318 34.765 -1.934 222 HE3 LYS 27 HE3 LYS 27 8.015 34.272 -0.829 223 HZ1 LYS 27 HZ1 LYS 27 9.827 32.884 -1.034 224 HZ2 LYS 27 HZ2 LYS 27 9.425 32.488 -2.717 225 HZ3 LYS 27 HZ3 LYS 27 8.484 31.975 -1.424 226 H ALA 28 H ALA 28 8.242 36.846 -7.047 227 HA ALA 28 HA ALA 28 10.711 38.083 -7.706 228 HB1 ALA 28 HB1 ALA 28 9.546 36.106 -8.780 229 HB2 ALA 28 HB2 ALA 28 10.471 37.255 -9.821 230 HB3 ALA 28 HB3 ALA 28 8.704 37.189 -9.851 231 H LYS 29 H LYS 29 7.521 39.448 -8.154 232 HA LYS 29 HA LYS 29 8.436 41.533 -9.810 233 HB2 LYS 29 HB2 LYS 29 5.746 40.838 -8.467 234 HB3 LYS 29 HB3 LYS 29 5.992 42.524 -9.073 235 HG2 LYS 29 HG2 LYS 29 6.542 40.142 -10.887 236 HG3 LYS 29 HG3 LYS 29 4.901 40.869 -10.780 237 HD2 LYS 29 HD2 LYS 29 6.318 43.105 -11.053 238 HD3 LYS 29 HD3 LYS 29 7.558 42.122 -11.737 239 HE2 LYS 29 HE2 LYS 29 4.628 42.056 -13.001 240 HE3 LYS 29 HE3 LYS 29 5.962 43.064 -13.550 241 HZ1 LYS 29 HZ1 LYS 29 7.367 41.161 -13.754 242 HZ2 LYS 29 HZ2 LYS 29 6.024 41.193 -14.706 243 HZ3 LYS 29 HZ3 LYS 29 6.002 40.143 -13.435 244 H ILE 30 H ILE 30 8.064 41.028 -6.329 245 HA ILE 30 HA ILE 30 8.798 43.684 -5.474 246 HB ILE 30 HB ILE 30 8.978 40.999 -3.981 247 HG12 ILE 30 HG12 ILE 30 6.706 43.004 -3.653 248 HG13 ILE 30 HG13 ILE 30 6.563 41.703 -4.825 249 HG21 ILE 30 HG21 ILE 30 10.348 42.446 -2.774 250 HG22 ILE 30 HG22 ILE 30 8.893 42.311 -1.905 251 HG23 ILE 30 HG23 ILE 30 9.092 43.802 -2.828 252 HD11 ILE 30 HD11 ILE 30 6.736 41.425 -1.801 253 HD12 ILE 30 HD12 ILE 30 7.110 40.047 -2.864 254 HD13 ILE 30 HD13 ILE 30 5.533 40.853 -2.912 255 H GLN 31 H GLN 31 10.502 40.633 -6.065 256 HA GLN 31 HA GLN 31 13.058 41.616 -5.647 257 HB2 GLN 31 HB2 GLN 31 13.298 39.463 -5.912 258 HB3 GLN 31 HB3 GLN 31 12.164 39.343 -7.235 259 HG2 GLN 31 HG2 GLN 31 14.487 38.806 -8.031 260 HG3 GLN 31 HG3 GLN 31 13.737 40.217 -8.767 261 HE21 GLN 31 HE21 GLN 31 15.422 40.140 -5.540 262 HE22 GLN 31 HE22 GLN 31 16.611 41.328 -6.028 263 H ASP 32 H ASP 32 11.558 41.938 -8.971 264 HA ASP 32 HA ASP 32 13.121 43.743 -10.174 265 HB2 ASP 32 HB2 ASP 32 10.053 43.359 -10.394 266 HB3 ASP 32 HB3 ASP 32 11.028 44.615 -11.299 267 H LYS 33 H LYS 33 10.405 44.734 -8.058 268 HA LYS 33 HA LYS 33 11.180 47.440 -8.124 269 HB2 LYS 33 HB2 LYS 33 9.527 45.969 -5.973 270 HB3 LYS 33 HB3 LYS 33 9.758 47.722 -5.924 271 HG2 LYS 33 HG2 LYS 33 8.295 46.107 -8.107 272 HG3 LYS 33 HG3 LYS 33 7.581 47.163 -6.833 273 HD2 LYS 33 HD2 LYS 33 9.075 47.780 -9.338 274 HD3 LYS 33 HD3 LYS 33 7.491 48.293 -8.749 275 HE2 LYS 33 HE2 LYS 33 8.389 49.908 -7.222 276 HE3 LYS 33 HE3 LYS 33 10.066 49.342 -7.279 277 HZ1 LYS 33 HZ1 LYS 33 10.481 50.199 -9.215 278 HZ2 LYS 33 HZ2 LYS 33 9.456 51.367 -8.640 279 HZ3 LYS 33 HZ3 LYS 33 8.874 50.208 -9.751 280 H GLU 34 H GLU 34 11.759 45.228 -5.338 281 HA GLU 34 HA GLU 34 13.303 47.464 -4.105 282 HB2 GLU 34 HB2 GLU 34 11.803 45.219 -2.677 283 HB3 GLU 34 HB3 GLU 34 12.829 46.444 -1.925 284 HG2 GLU 34 HG2 GLU 34 10.231 47.225 -3.447 285 HG3 GLU 34 HG3 GLU 34 10.246 46.989 -1.715 286 H GLY 35 H GLY 35 13.942 44.329 -5.422 287 HA2 GLY 35 HA2 GLY 35 16.139 43.811 -5.759 288 HA3 GLY 35 HA3 GLY 35 16.628 44.878 -4.509 289 H ILE 36 H ILE 36 14.026 42.668 -3.555 290 HA ILE 36 HA ILE 36 15.745 41.349 -1.707 291 HB ILE 36 HB ILE 36 12.808 41.066 -1.891 292 HG12 ILE 36 HG12 ILE 36 13.591 43.507 -1.628 293 HG13 ILE 36 HG13 ILE 36 12.476 42.951 -0.436 294 HG21 ILE 36 HG21 ILE 36 14.836 40.437 0.359 295 HG22 ILE 36 HG22 ILE 36 13.921 39.221 -0.631 296 HG23 ILE 36 HG23 ILE 36 13.088 40.251 0.580 297 HD11 ILE 36 HD11 ILE 36 14.333 44.364 0.425 298 HD12 ILE 36 HD12 ILE 36 15.525 43.117 -0.064 299 HD13 ILE 36 HD13 ILE 36 14.428 42.772 1.246 300 HA PRO 37 HA PRO 37 15.879 37.684 -4.415 301 HB2 PRO 37 HB2 PRO 37 17.145 36.632 -1.896 302 HB3 PRO 37 HB3 PRO 37 17.672 36.190 -3.505 303 HG2 PRO 37 HG2 PRO 37 18.906 38.018 -2.177 304 HG3 PRO 37 HG3 PRO 37 18.563 38.310 -3.931 305 HD2 PRO 37 HD2 PRO 37 17.268 39.633 -1.458 306 HD3 PRO 37 HD3 PRO 37 17.593 40.244 -3.141 307 HA PRO 38 HA PRO 38 11.891 36.187 -3.139 308 HB2 PRO 38 HB2 PRO 38 12.656 33.914 -4.875 309 HB3 PRO 38 HB3 PRO 38 11.095 34.805 -4.637 310 HG2 PRO 38 HG2 PRO 38 12.606 35.680 -6.789 311 HG3 PRO 38 HG3 PRO 38 11.953 36.806 -5.581 312 HD2 PRO 38 HD2 PRO 38 14.755 35.818 -5.732 313 HD3 PRO 38 HD3 PRO 38 14.024 37.470 -5.396 314 H ASP 39 H ASP 39 14.633 33.981 -2.789 315 HA ASP 39 HA ASP 39 13.277 32.097 -1.181 316 HB2 ASP 39 HB2 ASP 39 15.358 31.061 -0.879 317 HB3 ASP 39 HB3 ASP 39 15.254 31.566 -2.590 318 H GLN 40 H GLN 40 14.347 35.100 -0.618 319 HA GLN 40 HA GLN 40 14.874 34.557 2.254 320 HB2 GLN 40 HB2 GLN 40 15.241 37.193 0.687 321 HB3 GLN 40 HB3 GLN 40 15.719 37.003 2.349 322 HG2 GLN 40 HG2 GLN 40 17.302 35.176 1.703 323 HG3 GLN 40 HG3 GLN 40 17.052 35.386 -0.062 324 HE21 GLN 40 HE21 GLN 40 19.094 36.179 2.480 325 HE22 GLN 40 HE22 GLN 40 19.947 37.326 1.507 326 H GLN 41 H GLN 41 12.315 34.901 0.344 327 HA GLN 41 HA GLN 41 10.908 36.894 1.913 328 HB2 GLN 41 HB2 GLN 41 10.452 36.132 -0.816 329 HB3 GLN 41 HB3 GLN 41 9.225 37.081 0.136 330 HG2 GLN 41 HG2 GLN 41 10.882 39.016 0.223 331 HG3 GLN 41 HG3 GLN 41 12.092 37.928 -0.686 332 HE21 GLN 41 HE21 GLN 41 11.976 39.326 -2.684 333 HE22 GLN 41 HE22 GLN 41 10.549 39.099 -3.642 334 H ARG 42 H ARG 42 8.791 36.449 2.530 335 HA ARG 42 HA ARG 42 7.514 33.885 1.858 336 HB2 ARG 42 HB2 ARG 42 8.703 33.257 3.914 337 HB3 ARG 42 HB3 ARG 42 8.111 34.814 4.693 338 HG2 ARG 42 HG2 ARG 42 6.916 32.785 5.644 339 HG3 ARG 42 HG3 ARG 42 5.784 33.694 4.517 340 HD2 ARG 42 HD2 ARG 42 6.324 32.166 2.706 341 HD3 ARG 42 HD3 ARG 42 7.417 31.147 3.821 342 HE ARG 42 HE ARG 42 4.976 31.449 5.089 343 HH11 ARG 42 HH11 ARG 42 5.767 30.332 1.864 344 HH12 ARG 42 HH12 ARG 42 4.723 28.944 2.005 345 HH21 ARG 42 HH21 ARG 42 3.897 29.346 5.239 346 HH22 ARG 42 HH22 ARG 42 3.555 28.589 3.687 347 H LEU 43 H LEU 43 5.403 34.672 1.144 348 HA LEU 43 HA LEU 43 4.576 37.304 2.073 349 HB2 LEU 43 HB2 LEU 43 4.216 35.480 -0.250 350 HB3 LEU 43 HB3 LEU 43 2.774 36.519 0.005 351 HG LEU 43 HG LEU 43 5.658 37.454 -0.483 352 HD11 LEU 43 HD11 LEU 43 4.434 36.511 -2.609 353 HD12 LEU 43 HD12 LEU 43 4.853 38.210 -2.752 354 HD13 LEU 43 HD13 LEU 43 3.197 37.685 -2.355 355 HD21 LEU 43 HD21 LEU 43 4.579 39.661 -0.946 356 HD22 LEU 43 HD22 LEU 43 4.654 39.171 0.792 357 HD23 LEU 43 HD23 LEU 43 3.063 39.017 -0.156 358 H ILE 44 H ILE 44 2.504 37.991 2.917 359 HA ILE 44 HA ILE 44 0.895 35.775 4.069 360 HB ILE 44 HB ILE 44 1.967 38.331 5.282 361 HG12 ILE 44 HG12 ILE 44 2.700 35.374 5.871 362 HG13 ILE 44 HG13 ILE 44 3.707 36.555 5.086 363 HG21 ILE 44 HG21 ILE 44 0.378 35.983 6.583 364 HG22 ILE 44 HG22 ILE 44 -0.428 37.519 6.224 365 HG23 ILE 44 HG23 ILE 44 0.855 37.530 7.356 366 HD11 ILE 44 HD11 ILE 44 2.830 36.951 7.951 367 HD12 ILE 44 HD12 ILE 44 3.929 37.986 6.934 368 HD13 ILE 44 HD13 ILE 44 4.429 36.339 7.501 369 H PHE 45 H PHE 45 -1.389 36.180 4.072 370 HA PHE 45 HA PHE 45 -2.215 38.851 3.884 371 HB2 PHE 45 HB2 PHE 45 -2.087 38.286 1.391 372 HB3 PHE 45 HB3 PHE 45 -2.993 36.766 1.655 373 HD1 PHE 45 HD1 PHE 45 -3.093 40.322 1.897 374 HD2 PHE 45 HD2 PHE 45 -5.614 36.872 1.623 375 HE1 PHE 45 HE1 PHE 45 -5.033 41.743 1.935 376 HE2 PHE 45 HE2 PHE 45 -7.569 38.378 1.298 377 HZ PHE 45 HZ PHE 45 -7.332 40.718 1.459 378 H ALA 46 H ALA 46 -4.315 39.094 4.792 379 HA ALA 46 HA ALA 46 -5.865 38.644 6.363 380 HB1 ALA 46 HB1 ALA 46 -7.225 36.702 5.903 381 HB2 ALA 46 HB2 ALA 46 -5.871 35.917 4.967 382 HB3 ALA 46 HB3 ALA 46 -6.753 37.349 4.328 383 H GLY 47 H GLY 47 -3.341 38.307 7.358 384 HA2 GLY 47 HA2 GLY 47 -2.140 37.465 8.988 385 HA3 GLY 47 HA3 GLY 47 -3.612 36.815 9.676 386 H LYS 48 H LYS 48 -2.427 35.635 6.562 387 HA LYS 48 HA LYS 48 -1.426 33.161 7.843 388 HB2 LYS 48 HB2 LYS 48 -3.780 33.381 5.734 389 HB3 LYS 48 HB3 LYS 48 -3.009 31.867 6.301 390 HG2 LYS 48 HG2 LYS 48 -4.534 33.776 8.132 391 HG3 LYS 48 HG3 LYS 48 -5.244 32.405 7.275 392 HD2 LYS 48 HD2 LYS 48 -3.590 30.843 8.341 393 HD3 LYS 48 HD3 LYS 48 -2.856 32.188 9.161 394 HE2 LYS 48 HE2 LYS 48 -4.902 32.807 10.399 395 HE3 LYS 48 HE3 LYS 48 -5.694 31.343 9.620 396 HZ1 LYS 48 HZ1 LYS 48 -4.934 30.868 11.815 397 HZ2 LYS 48 HZ2 LYS 48 -3.330 31.232 11.488 398 HZ3 LYS 48 HZ3 LYS 48 -4.097 29.905 10.748 399 H GLN 49 H GLN 49 -0.258 31.899 6.655 400 HA GLN 49 HA GLN 49 1.350 33.500 4.835 401 HB2 GLN 49 HB2 GLN 49 1.761 30.817 6.281 402 HB3 GLN 49 HB3 GLN 49 2.908 31.724 5.165 403 HG2 GLN 49 HG2 GLN 49 2.241 33.720 6.916 404 HG3 GLN 49 HG3 GLN 49 2.030 32.368 7.998 405 HE21 GLN 49 HE21 GLN 49 4.026 33.915 8.834 406 HE22 GLN 49 HE22 GLN 49 5.594 33.688 8.133 407 H LEU 50 H LEU 50 1.813 32.948 2.750 408 HA LEU 50 HA LEU 50 -0.114 31.219 1.385 409 HB2 LEU 50 HB2 LEU 50 1.451 33.509 0.115 410 HB3 LEU 50 HB3 LEU 50 -0.047 32.765 -0.467 411 HG LEU 50 HG LEU 50 0.442 34.659 1.860 412 HD11 LEU 50 HD11 LEU 50 -0.685 36.396 0.425 413 HD12 LEU 50 HD12 LEU 50 -1.181 35.056 -0.739 414 HD13 LEU 50 HD13 LEU 50 0.492 35.572 -0.596 415 HD21 LEU 50 HD21 LEU 50 -2.261 33.688 0.687 416 HD22 LEU 50 HD22 LEU 50 -2.114 34.729 2.050 417 HD23 LEU 50 HD23 LEU 50 -1.515 32.981 2.167 418 H GLU 51 H GLU 51 0.870 29.460 0.460 419 HA GLU 51 HA GLU 51 3.584 29.157 -0.110 420 HB2 GLU 51 HB2 GLU 51 1.396 27.157 -1.326 421 HB3 GLU 51 HB3 GLU 51 3.187 27.009 -1.096 422 HG2 GLU 51 HG2 GLU 51 1.007 26.959 0.993 423 HG3 GLU 51 HG3 GLU 51 2.168 25.732 0.658 424 H ASP 52 H ASP 52 4.793 28.962 -1.794 425 HA ASP 52 HA ASP 52 4.729 31.109 -3.459 426 HB2 ASP 52 HB2 ASP 52 6.390 28.523 -3.324 427 HB3 ASP 52 HB3 ASP 52 6.801 29.745 -4.493 428 H GLY 53 H GLY 53 3.995 27.763 -4.222 429 HA2 GLY 53 HA2 GLY 53 3.840 28.238 -7.021 430 HA3 GLY 53 HA3 GLY 53 3.469 26.701 -6.242 431 H ARG 54 H ARG 54 1.502 29.314 -4.633 432 HA ARG 54 HA ARG 54 -0.664 28.223 -6.132 433 HB2 ARG 54 HB2 ARG 54 -0.499 29.269 -3.281 434 HB3 ARG 54 HB3 ARG 54 -2.024 28.766 -4.042 435 HG2 ARG 54 HG2 ARG 54 0.210 26.835 -3.286 436 HG3 ARG 54 HG3 ARG 54 -1.492 27.012 -2.759 437 HD2 ARG 54 HD2 ARG 54 -0.374 25.895 -5.449 438 HD3 ARG 54 HD3 ARG 54 -1.276 25.091 -4.163 439 HE ARG 54 HE ARG 54 -2.979 27.119 -5.305 440 HH11 ARG 54 HH11 ARG 54 -1.825 23.994 -6.248 441 HH12 ARG 54 HH12 ARG 54 -2.514 24.218 -7.850 442 HH21 ARG 54 HH21 ARG 54 -4.017 27.115 -6.988 443 HH22 ARG 54 HH22 ARG 54 -3.889 25.787 -8.162 444 H THR 55 H THR 55 -2.608 29.996 -5.976 445 HA THR 55 HA THR 55 -1.310 32.212 -7.340 446 HB THR 55 HB THR 55 -3.036 32.384 -8.744 447 HG1 THR 55 HG1 THR 55 -3.903 30.038 -7.447 448 HG21 THR 55 HG21 THR 55 -1.109 31.071 -9.472 449 HG22 THR 55 HG22 THR 55 -2.642 30.433 -10.084 450 HG23 THR 55 HG23 THR 55 -1.872 29.655 -8.725 451 H LEU 56 H LEU 56 -2.768 34.243 -7.460 452 HA LEU 56 HA LEU 56 -3.968 35.244 -5.199 453 HB2 LEU 56 HB2 LEU 56 -3.977 36.221 -8.011 454 HB3 LEU 56 HB3 LEU 56 -4.960 36.938 -6.748 455 HG LEU 56 HG LEU 56 -2.789 36.892 -5.266 456 HD11 LEU 56 HD11 LEU 56 -0.852 37.495 -6.890 457 HD12 LEU 56 HD12 LEU 56 -1.604 36.501 -8.134 458 HD13 LEU 56 HD13 LEU 56 -1.166 35.695 -6.663 459 HD21 LEU 56 HD21 LEU 56 -3.129 38.616 -7.869 460 HD22 LEU 56 HD22 LEU 56 -2.291 39.275 -6.542 461 HD23 LEU 56 HD23 LEU 56 -3.996 38.882 -6.362 462 H SER 57 H SER 57 -5.479 33.801 -8.069 463 HA SER 57 HA SER 57 -8.138 33.494 -7.269 464 HB2 SER 57 HB2 SER 57 -7.595 33.146 -9.563 465 HB3 SER 57 HB3 SER 57 -6.578 31.795 -9.073 466 HG SER 57 HG SER 57 -8.326 30.595 -8.788 467 H ASP 58 H ASP 58 -5.632 31.100 -6.456 468 HA ASP 58 HA ASP 58 -7.339 29.425 -4.942 469 HB2 ASP 58 HB2 ASP 58 -4.462 30.197 -4.332 470 HB3 ASP 58 HB3 ASP 58 -5.218 28.725 -3.663 471 H TYR 59 H TYR 59 -5.601 32.298 -3.822 472 HA TYR 59 HA TYR 59 -6.662 31.962 -1.262 473 HB2 TYR 59 HB2 TYR 59 -4.582 33.775 -2.429 474 HB3 TYR 59 HB3 TYR 59 -5.136 33.853 -0.724 475 HD1 TYR 59 HD1 TYR 59 -2.432 32.891 -2.728 476 HD2 TYR 59 HD2 TYR 59 -5.268 30.909 -0.132 477 HE1 TYR 59 HE1 TYR 59 -0.702 31.177 -2.138 478 HE2 TYR 59 HE2 TYR 59 -3.544 29.361 0.523 479 HH TYR 59 HH TYR 59 -1.479 28.518 -0.030 480 H ASN 60 H ASN 60 -8.136 33.211 -3.867 481 HA ASN 60 HA ASN 60 -9.293 34.756 -4.504 482 HB2 ASN 60 HB2 ASN 60 -10.652 33.163 -3.269 483 HB3 ASN 60 HB3 ASN 60 -10.522 33.979 -1.740 484 HD21 ASN 60 HD21 ASN 60 -12.566 34.449 -1.291 485 HD22 ASN 60 HD22 ASN 60 -13.585 35.437 -2.262 486 H ILE 61 H ILE 61 -7.339 36.074 -3.936 487 HA ILE 61 HA ILE 61 -7.780 38.396 -2.292 488 HB ILE 61 HB ILE 61 -5.525 37.838 -4.339 489 HG12 ILE 61 HG12 ILE 61 -5.737 37.702 -1.303 490 HG13 ILE 61 HG13 ILE 61 -5.436 36.235 -2.276 491 HG21 ILE 61 HG21 ILE 61 -6.031 40.007 -2.212 492 HG22 ILE 61 HG22 ILE 61 -5.698 40.245 -3.989 493 HG23 ILE 61 HG23 ILE 61 -4.408 39.746 -2.855 494 HD11 ILE 61 HD11 ILE 61 -3.243 38.398 -1.765 495 HD12 ILE 61 HD12 ILE 61 -3.201 37.089 -2.955 496 HD13 ILE 61 HD13 ILE 61 -3.327 36.712 -1.228 497 H GLN 62 H GLN 62 -8.182 40.495 -3.043 498 HA GLN 62 HA GLN 62 -9.619 40.704 -5.555 499 HB2 GLN 62 HB2 GLN 62 -9.962 42.408 -2.987 500 HB3 GLN 62 HB3 GLN 62 -11.002 42.536 -4.491 501 HG2 GLN 62 HG2 GLN 62 -11.013 40.178 -2.557 502 HG3 GLN 62 HG3 GLN 62 -12.271 41.370 -3.019 503 HE21 GLN 62 HE21 GLN 62 -11.092 38.342 -3.395 504 HE22 GLN 62 HE22 GLN 62 -11.921 37.835 -4.827 505 H LYS 63 H LYS 63 -9.712 43.197 -6.451 506 HA LYS 63 HA LYS 63 -7.090 44.215 -6.700 507 HB2 LYS 63 HB2 LYS 63 -8.698 44.604 -8.444 508 HB3 LYS 63 HB3 LYS 63 -9.881 45.174 -7.213 509 HG2 LYS 63 HG2 LYS 63 -8.466 47.182 -6.927 510 HG3 LYS 63 HG3 LYS 63 -7.290 46.654 -8.203 511 HD2 LYS 63 HD2 LYS 63 -8.990 46.677 -9.901 512 HD3 LYS 63 HD3 LYS 63 -10.276 47.020 -8.771 513 HE2 LYS 63 HE2 LYS 63 -8.073 49.056 -9.387 514 HE3 LYS 63 HE3 LYS 63 -9.826 49.109 -9.919 515 HZ1 LYS 63 HZ1 LYS 63 -9.828 48.898 -7.111 516 HZ2 LYS 63 HZ2 LYS 63 -10.237 50.162 -8.066 517 HZ3 LYS 63 HZ3 LYS 63 -8.590 49.939 -7.548 518 H GLU 64 H GLU 64 -6.053 45.843 -5.928 519 HA GLU 64 HA GLU 64 -4.972 46.872 -4.416 520 HB2 GLU 64 HB2 GLU 64 -7.670 48.180 -4.368 521 HB3 GLU 64 HB3 GLU 64 -6.398 48.780 -3.233 522 HG2 GLU 64 HG2 GLU 64 -5.076 49.231 -5.128 523 HG3 GLU 64 HG3 GLU 64 -6.108 48.379 -6.276 524 H SER 65 H SER 65 -5.821 44.291 -3.312 525 HA SER 65 HA SER 65 -6.397 44.595 -0.583 526 HB2 SER 65 HB2 SER 65 -5.071 42.235 -1.993 527 HB3 SER 65 HB3 SER 65 -5.436 42.333 -0.244 528 HG SER 65 HG SER 65 -7.329 42.642 -2.492 529 H THR 66 H THR 66 -4.844 44.148 1.185 530 HA THR 66 HA THR 66 -2.079 45.024 0.561 531 HB THR 66 HB THR 66 -3.437 45.295 3.177 532 HG1 THR 66 HG1 THR 66 -4.132 46.617 1.344 533 HG21 THR 66 HG21 THR 66 -0.755 46.381 2.146 534 HG22 THR 66 HG22 THR 66 -0.973 45.026 3.257 535 HG23 THR 66 HG23 THR 66 -1.475 46.708 3.785 536 H LEU 67 H LEU 67 -1.072 43.425 0.332 537 HA LEU 67 HA LEU 67 -0.846 41.089 2.073 538 HB2 LEU 67 HB2 LEU 67 0.326 42.068 -0.644 539 HB3 LEU 67 HB3 LEU 67 1.178 40.689 0.115 540 HG LEU 67 HG LEU 67 -1.265 39.735 0.105 541 HD11 LEU 67 HD11 LEU 67 -2.266 40.705 -2.186 542 HD12 LEU 67 HD12 LEU 67 -1.760 42.236 -1.522 543 HD13 LEU 67 HD13 LEU 67 -2.880 41.069 -0.549 544 HD21 LEU 67 HD21 LEU 67 0.383 39.940 -2.382 545 HD22 LEU 67 HD22 LEU 67 -0.909 38.746 -2.093 546 HD23 LEU 67 HD23 LEU 67 0.564 38.737 -1.060 547 H HIS 68 H HIS 68 0.979 40.503 3.093 548 HA HIS 68 HA HIS 68 2.665 42.758 4.125 549 HB2 HIS 68 HB2 HIS 68 1.281 40.520 5.728 550 HB3 HIS 68 HB3 HIS 68 2.835 41.432 6.168 551 HD1 HIS 68 HD1 HIS 68 2.820 43.689 6.762 552 HD2 HIS 68 HD2 HIS 68 -1.057 42.643 5.610 553 HE1 HIS 68 HE1 HIS 68 1.137 45.456 7.739 554 H LEU 69 H LEU 69 4.687 42.303 3.855 555 HA LEU 69 HA LEU 69 5.667 39.516 3.079 556 HB2 LEU 69 HB2 LEU 69 6.164 41.134 1.329 557 HB3 LEU 69 HB3 LEU 69 6.633 42.303 2.436 558 HG LEU 69 HG LEU 69 8.693 40.909 3.052 559 HD11 LEU 69 HD11 LEU 69 9.299 39.066 1.654 560 HD12 LEU 69 HD12 LEU 69 7.870 39.274 0.609 561 HD13 LEU 69 HD13 LEU 69 7.709 38.607 2.217 562 HD21 LEU 69 HD21 LEU 69 9.773 41.358 0.913 563 HD22 LEU 69 HD22 LEU 69 9.148 42.651 1.870 564 HD23 LEU 69 HD23 LEU 69 8.374 42.195 0.293 565 H VAL 70 H VAL 70 6.934 38.418 4.504 566 HA VAL 70 HA VAL 70 8.216 39.701 6.715 567 HB VAL 70 HB VAL 70 6.637 37.144 6.436 568 HG11 VAL 70 HG11 VAL 70 8.724 36.232 7.292 569 HG12 VAL 70 HG12 VAL 70 7.337 36.176 8.490 570 HG13 VAL 70 HG13 VAL 70 8.694 37.346 8.729 571 HG21 VAL 70 HG21 VAL 70 5.720 39.438 7.552 572 HG22 VAL 70 HG22 VAL 70 7.095 39.120 8.700 573 HG23 VAL 70 HG23 VAL 70 5.789 38.004 8.721 574 H LEU 71 H LEU 71 10.533 38.868 6.996 575 HA LEU 71 HA LEU 71 11.503 37.821 4.478 576 HB2 LEU 71 HB2 LEU 71 13.022 39.096 6.816 577 HB3 LEU 71 HB3 LEU 71 13.713 38.484 5.305 578 HG LEU 71 HG LEU 71 11.680 40.602 5.616 579 HD11 LEU 71 HD11 LEU 71 14.540 40.984 4.940 580 HD12 LEU 71 HD12 LEU 71 14.077 40.984 6.740 581 HD13 LEU 71 HD13 LEU 71 13.590 42.297 5.625 582 HD21 LEU 71 HD21 LEU 71 11.812 39.604 3.347 583 HD22 LEU 71 HD22 LEU 71 13.596 39.926 3.269 584 HD23 LEU 71 HD23 LEU 71 12.528 41.298 3.192 585 H ARG 72 H ARG 72 13.167 36.134 4.471 586 HA ARG 72 HA ARG 72 13.389 34.513 6.859 587 HB2 ARG 72 HB2 ARG 72 12.731 33.852 3.971 588 HB3 ARG 72 HB3 ARG 72 13.394 32.507 4.916 589 HG2 ARG 72 HG2 ARG 72 10.743 33.963 5.568 590 HG3 ARG 72 HG3 ARG 72 10.890 32.548 4.545 591 HD2 ARG 72 HD2 ARG 72 11.890 31.299 6.396 592 HD3 ARG 72 HD3 ARG 72 11.886 32.627 7.498 593 HE ARG 72 HE ARG 72 9.578 32.493 7.868 594 HH11 ARG 72 HH11 ARG 72 10.387 30.337 5.261 595 HH12 ARG 72 HH12 ARG 72 8.786 29.712 5.071 596 HH21 ARG 72 HH21 ARG 72 7.744 31.387 7.934 597 HH22 ARG 72 HH22 ARG 72 7.404 30.079 6.742 598 H LEU 73 H LEU 73 15.127 33.052 6.655 599 HA LEU 73 HA LEU 73 17.525 34.514 5.693 600 HB2 LEU 73 HB2 LEU 73 17.462 32.759 8.190 601 HB3 LEU 73 HB3 LEU 73 18.805 33.639 7.560 602 HG LEU 73 HG LEU 73 16.154 34.900 8.623 603 HD11 LEU 73 HD11 LEU 73 18.042 35.459 10.539 604 HD12 LEU 73 HD12 LEU 73 18.950 34.215 9.759 605 HD13 LEU 73 HD13 LEU 73 17.371 33.766 10.451 606 HD21 LEU 73 HD21 LEU 73 16.949 36.760 7.593 607 HD22 LEU 73 HD22 LEU 73 18.491 35.980 7.122 608 HD23 LEU 73 HD23 LEU 73 18.372 36.722 8.728 609 H ARG 74 H ARG 74 19.073 33.520 4.553 610 HA ARG 74 HA ARG 74 18.627 30.876 3.562 611 HB2 ARG 74 HB2 ARG 74 21.086 32.671 3.498 612 HB3 ARG 74 HB3 ARG 74 20.953 31.135 2.694 613 HG2 ARG 74 HG2 ARG 74 18.967 31.713 1.392 614 HG3 ARG 74 HG3 ARG 74 18.932 33.384 2.080 615 HD2 ARG 74 HD2 ARG 74 21.236 33.820 1.203 616 HD3 ARG 74 HD3 ARG 74 21.185 32.263 0.449 617 HE ARG 74 HE ARG 74 18.899 33.095 -0.635 618 HH11 ARG 74 HH11 ARG 74 21.942 34.593 -0.566 619 HH12 ARG 74 HH12 ARG 74 21.610 35.520 -1.994 620 HH21 ARG 74 HH21 ARG 74 18.468 34.030 -2.330 621 HH22 ARG 74 HH22 ARG 74 19.558 35.250 -3.025 622 H GLY 75 H GLY 75 19.452 28.861 4.026 623 HA2 GLY 75 HA2 GLY 75 19.371 27.977 6.529 624 HA3 GLY 75 HA3 GLY 75 20.303 27.153 5.250 625 H GLY 76 H GLY 76 20.834 27.579 8.184 626 HA2 GLY 76 HA2 GLY 76 23.753 28.168 7.904 627 HA3 GLY 76 HA3 GLY 76 22.852 28.418 9.449 Start of MODEL 16 1 H MET 1 HT1 MET 1 -4.217 42.794 -11.863 2 HA MET 1 HA MET 1 -5.570 45.343 -11.401 3 HB2 MET 1 HB2 MET 1 -6.234 44.389 -9.178 4 HB3 MET 1 HB3 MET 1 -7.190 43.778 -10.529 5 HG2 MET 1 HG2 MET 1 -5.864 41.715 -10.577 6 HG3 MET 1 HG3 MET 1 -4.871 42.355 -9.176 7 HE1 MET 1 HE1 MET 1 -6.064 39.690 -7.163 8 HE2 MET 1 HE2 MET 1 -4.865 40.820 -7.470 9 HE3 MET 1 HE3 MET 1 -5.305 39.711 -8.783 10 H GLN 2 H GLN 2 -4.862 46.105 -9.077 11 HA GLN 2 HA GLN 2 -2.054 45.448 -8.767 12 HB2 GLN 2 HB2 GLN 2 -1.800 47.690 -7.772 13 HB3 GLN 2 HB3 GLN 2 -2.594 47.978 -9.289 14 HG2 GLN 2 HG2 GLN 2 -4.027 47.913 -6.465 15 HG3 GLN 2 HG3 GLN 2 -3.414 49.305 -7.452 16 HE21 GLN 2 HE21 GLN 2 -4.568 50.060 -9.214 17 HE22 GLN 2 HE22 GLN 2 -6.159 49.462 -9.580 18 H ILE 3 H ILE 3 -1.149 45.062 -6.663 19 HA ILE 3 HA ILE 3 -2.910 45.265 -4.399 20 HB ILE 3 HB ILE 3 -1.787 43.323 -3.383 21 HG12 ILE 3 HG12 ILE 3 -0.973 42.943 -6.361 22 HG13 ILE 3 HG13 ILE 3 0.048 43.167 -4.898 23 HG21 ILE 3 HG21 ILE 3 -3.642 42.775 -5.792 24 HG22 ILE 3 HG22 ILE 3 -4.138 43.327 -4.293 25 HG23 ILE 3 HG23 ILE 3 -3.392 41.693 -4.323 26 HD11 ILE 3 HD11 ILE 3 0.090 40.788 -5.759 27 HD12 ILE 3 HD12 ILE 3 -1.707 40.723 -5.439 28 HD13 ILE 3 HD13 ILE 3 -0.562 40.956 -4.172 29 H PHE 4 H PHE 4 -1.840 45.272 -2.446 30 HA PHE 4 HA PHE 4 0.648 46.962 -2.564 31 HB2 PHE 4 HB2 PHE 4 -1.542 46.948 -0.457 32 HB3 PHE 4 HB3 PHE 4 -0.099 47.945 -0.520 33 HD1 PHE 4 HD1 PHE 4 0.186 49.383 -2.930 34 HD2 PHE 4 HD2 PHE 4 -3.431 47.673 -1.213 35 HE1 PHE 4 HE1 PHE 4 -1.102 51.069 -4.127 36 HE2 PHE 4 HE2 PHE 4 -4.794 49.260 -2.566 37 HZ PHE 4 HZ PHE 4 -3.615 51.012 -4.021 38 H VAL 5 H VAL 5 2.371 45.939 -1.804 39 HA VAL 5 HA VAL 5 1.958 43.789 0.171 40 HB VAL 5 HB VAL 5 4.397 44.163 -1.548 41 HG11 VAL 5 HG11 VAL 5 3.701 42.351 0.862 42 HG12 VAL 5 HG12 VAL 5 5.076 43.531 0.712 43 HG13 VAL 5 HG13 VAL 5 5.095 42.037 -0.273 44 HG21 VAL 5 HG21 VAL 5 2.120 42.055 -1.350 45 HG22 VAL 5 HG22 VAL 5 3.557 41.823 -2.344 46 HG23 VAL 5 HG23 VAL 5 2.483 43.214 -2.735 47 H LYS 6 H LYS 6 2.084 44.638 2.303 48 HA LYS 6 HA LYS 6 3.669 47.025 2.802 49 HB2 LYS 6 HB2 LYS 6 1.581 47.168 3.916 50 HB3 LYS 6 HB3 LYS 6 1.582 45.463 4.305 51 HG2 LYS 6 HG2 LYS 6 1.931 46.901 6.377 52 HG3 LYS 6 HG3 LYS 6 3.453 46.052 6.007 53 HD2 LYS 6 HD2 LYS 6 4.415 48.112 5.144 54 HD3 LYS 6 HD3 LYS 6 2.796 48.890 5.116 55 HE2 LYS 6 HE2 LYS 6 4.163 49.691 6.931 56 HE3 LYS 6 HE3 LYS 6 2.623 48.979 7.530 57 HZ1 LYS 6 HZ1 LYS 6 3.604 47.195 8.445 58 HZ2 LYS 6 HZ2 LYS 6 4.591 48.472 8.804 59 HZ3 LYS 6 HZ3 LYS 6 5.070 47.362 7.575 60 H THR 7 H THR 7 5.616 47.036 3.383 61 HA THR 7 HA THR 7 7.014 44.690 4.129 62 HB THR 7 HB THR 7 9.036 45.578 3.617 63 HG1 THR 7 HG1 THR 7 9.483 47.741 3.929 64 HG21 THR 7 HG21 THR 7 7.080 47.002 1.782 65 HG22 THR 7 HG22 THR 7 7.589 45.340 1.685 66 HG23 THR 7 HG23 THR 7 8.765 46.606 1.420 67 H LEU 8 H LEU 8 8.344 44.399 6.141 68 HA LEU 8 HA LEU 8 7.618 45.586 8.578 69 HB2 LEU 8 HB2 LEU 8 9.861 43.879 7.569 70 HB3 LEU 8 HB3 LEU 8 9.648 44.439 9.319 71 HG LEU 8 HG LEU 8 7.676 42.866 7.476 72 HD11 LEU 8 HD11 LEU 8 8.489 40.798 8.633 73 HD12 LEU 8 HD12 LEU 8 9.643 41.570 9.593 74 HD13 LEU 8 HD13 LEU 8 9.849 41.587 7.762 75 HD21 LEU 8 HD21 LEU 8 6.489 42.086 9.503 76 HD22 LEU 8 HD22 LEU 8 6.666 43.918 9.590 77 HD23 LEU 8 HD23 LEU 8 7.708 42.844 10.540 78 H THR 9 H THR 9 9.737 46.494 5.862 79 HA THR 9 HA THR 9 11.473 48.134 7.428 80 HB THR 9 HB THR 9 12.609 48.522 5.211 81 HG1 THR 9 HG1 THR 9 12.031 46.873 3.646 82 HG21 THR 9 HG21 THR 9 13.636 46.299 5.085 83 HG22 THR 9 HG22 THR 9 12.328 45.521 6.157 84 HG23 THR 9 HG23 THR 9 13.395 46.696 6.857 85 H GLY 10 H GLY 10 8.489 48.831 6.605 86 HA2 GLY 10 HA2 GLY 10 7.547 50.989 6.799 87 HA3 GLY 10 HA3 GLY 10 9.135 51.719 6.838 88 H LYS 11 H LYS 11 7.705 49.615 4.186 89 HA LYS 11 HA LYS 11 7.343 52.019 2.602 90 HB2 LYS 11 HB2 LYS 11 8.612 49.343 1.799 91 HB3 LYS 11 HB3 LYS 11 8.302 50.645 0.692 92 HG2 LYS 11 HG2 LYS 11 9.999 52.090 2.005 93 HG3 LYS 11 HG3 LYS 11 10.282 50.775 3.070 94 HD2 LYS 11 HD2 LYS 11 11.164 49.318 0.966 95 HD3 LYS 11 HD3 LYS 11 10.901 50.854 0.085 96 HE2 LYS 11 HE2 LYS 11 12.666 51.898 1.295 97 HE3 LYS 11 HE3 LYS 11 12.695 50.428 2.448 98 HZ1 LYS 11 HZ1 LYS 11 13.580 50.793 -0.321 99 HZ2 LYS 11 HZ2 LYS 11 13.171 49.292 0.186 100 HZ3 LYS 11 HZ3 LYS 11 14.486 50.109 0.897 101 H THR 12 H THR 12 5.723 51.334 0.716 102 HA THR 12 HA THR 12 4.602 48.712 1.160 103 HB THR 12 HB THR 12 2.866 51.238 0.702 104 HG1 THR 12 HG1 THR 12 3.295 50.908 2.797 105 HG21 THR 12 HG21 THR 12 1.951 49.491 -0.608 106 HG22 THR 12 HG22 THR 12 0.974 49.598 0.898 107 HG23 THR 12 HG23 THR 12 2.205 48.323 0.699 108 H ILE 13 H ILE 13 4.942 47.681 -0.527 109 HA ILE 13 HA ILE 13 5.764 48.809 -3.116 110 HB ILE 13 HB ILE 13 5.464 45.906 -2.470 111 HG12 ILE 13 HG12 ILE 13 7.108 46.716 -0.838 112 HG13 ILE 13 HG13 ILE 13 7.947 45.884 -2.140 113 HG21 ILE 13 HG21 ILE 13 5.720 46.372 -4.856 114 HG22 ILE 13 HG22 ILE 13 7.387 46.004 -4.314 115 HG23 ILE 13 HG23 ILE 13 6.876 47.715 -4.463 116 HD11 ILE 13 HD11 ILE 13 8.863 47.879 -2.852 117 HD12 ILE 13 HD12 ILE 13 8.893 48.256 -1.057 118 HD13 ILE 13 HD13 ILE 13 7.644 48.901 -2.249 119 H THR 14 H THR 14 4.228 49.412 -4.449 120 HA THR 14 HA THR 14 1.751 48.113 -4.833 121 HB THR 14 HB THR 14 2.989 50.228 -6.637 122 HG1 THR 14 HG1 THR 14 2.089 51.577 -5.395 123 HG21 THR 14 HG21 THR 14 0.793 50.410 -7.487 124 HG22 THR 14 HG22 THR 14 0.101 49.686 -5.999 125 HG23 THR 14 HG23 THR 14 0.865 48.617 -7.270 126 H LEU 15 H LEU 15 1.641 46.211 -6.054 127 HA LEU 15 HA LEU 15 3.234 46.303 -8.524 128 HB2 LEU 15 HB2 LEU 15 3.838 44.007 -8.416 129 HB3 LEU 15 HB3 LEU 15 4.537 45.033 -7.201 130 HG LEU 15 HG LEU 15 2.583 44.071 -5.684 131 HD11 LEU 15 HD11 LEU 15 2.085 41.775 -5.834 132 HD12 LEU 15 HD12 LEU 15 2.922 41.626 -7.415 133 HD13 LEU 15 HD13 LEU 15 1.490 42.658 -7.273 134 HD21 LEU 15 HD21 LEU 15 4.955 44.021 -5.105 135 HD22 LEU 15 HD22 LEU 15 5.225 42.609 -6.220 136 HD23 LEU 15 HD23 LEU 15 4.114 42.366 -4.874 137 H GLU 16 H GLU 16 2.250 45.830 -10.357 138 HA GLU 16 HA GLU 16 -0.585 45.194 -10.313 139 HB2 GLU 16 HB2 GLU 16 1.330 45.439 -12.647 140 HB3 GLU 16 HB3 GLU 16 -0.445 45.363 -12.704 141 HG2 GLU 16 HG2 GLU 16 -0.519 47.677 -11.449 142 HG3 GLU 16 HG3 GLU 16 1.268 47.658 -11.519 143 H VAL 17 H VAL 17 -1.475 43.256 -10.675 144 HA VAL 17 HA VAL 17 -0.101 40.988 -11.895 145 HB VAL 17 HB VAL 17 -0.819 39.495 -10.040 146 HG11 VAL 17 HG11 VAL 17 1.275 41.639 -9.382 147 HG12 VAL 17 HG12 VAL 17 1.564 40.110 -10.123 148 HG13 VAL 17 HG13 VAL 17 1.186 40.209 -8.380 149 HG21 VAL 17 HG21 VAL 17 -1.105 40.434 -7.724 150 HG22 VAL 17 HG22 VAL 17 -2.559 40.618 -8.710 151 HG23 VAL 17 HG23 VAL 17 -1.434 42.030 -8.433 152 H GLU 18 H GLU 18 -1.549 39.345 -12.839 153 HA GLU 18 HA GLU 18 -4.320 39.888 -13.276 154 HB2 GLU 18 HB2 GLU 18 -2.383 37.708 -14.149 155 HB3 GLU 18 HB3 GLU 18 -4.057 37.894 -14.630 156 HG2 GLU 18 HG2 GLU 18 -3.041 40.340 -15.451 157 HG3 GLU 18 HG3 GLU 18 -1.633 39.287 -15.677 158 HA PRO 19 HA PRO 19 -5.433 37.355 -9.791 159 HB2 PRO 19 HB2 PRO 19 -7.714 36.133 -10.700 160 HB3 PRO 19 HB3 PRO 19 -7.672 37.751 -9.974 161 HG2 PRO 19 HG2 PRO 19 -8.145 37.023 -12.905 162 HG3 PRO 19 HG3 PRO 19 -8.572 38.377 -11.991 163 HD2 PRO 19 HD2 PRO 19 -6.390 38.589 -13.558 164 HD3 PRO 19 HD3 PRO 19 -6.516 39.552 -12.006 165 H SER 20 H SER 20 -4.849 35.878 -12.915 166 HA SER 20 HA SER 20 -4.488 33.244 -11.686 167 HB2 SER 20 HB2 SER 20 -3.865 32.655 -14.121 168 HB3 SER 20 HB3 SER 20 -5.545 33.301 -13.933 169 HG SER 20 HG SER 20 -3.313 34.629 -15.046 170 H ASP 21 H ASP 21 -2.500 35.927 -11.758 171 HA ASP 21 HA ASP 21 0.034 34.560 -12.226 172 HB2 ASP 21 HB2 ASP 21 -0.813 37.207 -10.915 173 HB3 ASP 21 HB3 ASP 21 0.933 36.808 -10.965 174 H THR 22 H THR 22 1.490 33.731 -10.882 175 HA THR 22 HA THR 22 0.385 32.623 -8.342 176 HB THR 22 HB THR 22 2.123 30.865 -8.469 177 HG1 THR 22 HG1 THR 22 3.026 32.570 -10.445 178 HG21 THR 22 HG21 THR 22 0.985 31.043 -11.287 179 HG22 THR 22 HG22 THR 22 0.026 30.460 -9.888 180 HG23 THR 22 HG23 THR 22 1.490 29.584 -10.421 181 H ILE 23 H ILE 23 1.510 32.662 -6.268 182 HA ILE 23 HA ILE 23 2.583 34.994 -5.557 183 HB ILE 23 HB ILE 23 2.718 32.207 -4.387 184 HG12 ILE 23 HG12 ILE 23 0.472 32.969 -4.917 185 HG13 ILE 23 HG13 ILE 23 0.622 32.863 -3.157 186 HG21 ILE 23 HG21 ILE 23 4.368 33.568 -3.314 187 HG22 ILE 23 HG22 ILE 23 3.048 33.039 -2.228 188 HG23 ILE 23 HG23 ILE 23 3.124 34.762 -2.913 189 HD11 ILE 23 HD11 ILE 23 -0.715 34.884 -3.976 190 HD12 ILE 23 HD12 ILE 23 0.821 35.514 -4.711 191 HD13 ILE 23 HD13 ILE 23 0.691 35.222 -2.944 192 H GLU 24 H GLU 24 4.175 32.062 -6.764 193 HA GLU 24 HA GLU 24 6.829 32.742 -6.576 194 HB2 GLU 24 HB2 GLU 24 6.096 30.607 -7.374 195 HB3 GLU 24 HB3 GLU 24 5.121 31.338 -8.717 196 HG2 GLU 24 HG2 GLU 24 7.270 32.050 -9.812 197 HG3 GLU 24 HG3 GLU 24 8.217 31.226 -8.541 198 H ASN 25 H ASN 25 4.584 34.001 -9.043 199 HA ASN 25 HA ASN 25 6.461 35.645 -10.293 200 HB2 ASN 25 HB2 ASN 25 3.447 35.928 -10.252 201 HB3 ASN 25 HB3 ASN 25 4.486 36.597 -11.543 202 HD21 ASN 25 HD21 ASN 25 6.150 34.121 -11.913 203 HD22 ASN 25 HD22 ASN 25 5.054 33.171 -12.861 204 H VAL 26 H VAL 26 4.260 36.163 -7.477 205 HA VAL 26 HA VAL 26 4.197 38.980 -7.234 206 HB VAL 26 HB VAL 26 3.852 36.887 -5.166 207 HG11 VAL 26 HG11 VAL 26 3.136 39.825 -4.799 208 HG12 VAL 26 HG12 VAL 26 4.760 39.128 -4.278 209 HG13 VAL 26 HG13 VAL 26 3.204 38.570 -3.533 210 HG21 VAL 26 HG21 VAL 26 1.805 38.786 -6.550 211 HG22 VAL 26 HG22 VAL 26 1.562 37.641 -5.199 212 HG23 VAL 26 HG23 VAL 26 2.056 37.049 -6.806 213 H LYS 27 H LYS 27 6.153 36.410 -6.041 214 HA LYS 27 HA LYS 27 7.977 37.822 -4.454 215 HB2 LYS 27 HB2 LYS 27 7.893 34.952 -5.445 216 HB3 LYS 27 HB3 LYS 27 9.185 35.662 -4.483 217 HG2 LYS 27 HG2 LYS 27 7.636 36.394 -2.770 218 HG3 LYS 27 HG3 LYS 27 6.328 35.650 -3.649 219 HD2 LYS 27 HD2 LYS 27 7.145 33.451 -3.512 220 HD3 LYS 27 HD3 LYS 27 8.546 33.949 -2.569 221 HE2 LYS 27 HE2 LYS 27 7.019 34.827 -0.756 222 HE3 LYS 27 HE3 LYS 27 5.588 34.041 -1.609 223 HZ1 LYS 27 HZ1 LYS 27 6.735 31.958 -1.474 224 HZ2 LYS 27 HZ2 LYS 27 6.419 32.643 0.046 225 HZ3 LYS 27 HZ3 LYS 27 7.982 32.702 -0.595 226 H ALA 28 H ALA 28 8.251 36.684 -7.755 227 HA ALA 28 HA ALA 28 10.773 37.694 -8.334 228 HB1 ALA 28 HB1 ALA 28 10.229 37.399 -10.517 229 HB2 ALA 28 HB2 ALA 28 8.509 37.139 -10.139 230 HB3 ALA 28 HB3 ALA 28 9.752 36.018 -9.447 231 H LYS 29 H LYS 29 7.366 39.197 -8.450 232 HA LYS 29 HA LYS 29 8.298 41.749 -9.337 233 HB2 LYS 29 HB2 LYS 29 5.667 41.164 -7.931 234 HB3 LYS 29 HB3 LYS 29 6.273 42.701 -8.447 235 HG2 LYS 29 HG2 LYS 29 6.568 41.851 -10.789 236 HG3 LYS 29 HG3 LYS 29 6.206 40.251 -10.274 237 HD2 LYS 29 HD2 LYS 29 4.046 40.835 -9.555 238 HD3 LYS 29 HD3 LYS 29 4.190 42.568 -10.084 239 HE2 LYS 29 HE2 LYS 29 4.409 40.134 -12.061 240 HE3 LYS 29 HE3 LYS 29 2.990 41.152 -11.779 241 HZ1 LYS 29 HZ1 LYS 29 4.355 43.063 -12.313 242 HZ2 LYS 29 HZ2 LYS 29 3.751 42.038 -13.571 243 HZ3 LYS 29 HZ3 LYS 29 5.441 41.991 -12.991 244 H ILE 30 H ILE 30 8.214 40.519 -6.076 245 HA ILE 30 HA ILE 30 9.259 42.976 -4.995 246 HB ILE 30 HB ILE 30 9.369 40.214 -3.985 247 HG12 ILE 30 HG12 ILE 30 6.995 41.231 -4.112 248 HG13 ILE 30 HG13 ILE 30 7.564 40.755 -2.507 249 HG21 ILE 30 HG21 ILE 30 11.226 41.410 -2.908 250 HG22 ILE 30 HG22 ILE 30 9.911 41.316 -1.606 251 HG23 ILE 30 HG23 ILE 30 10.141 42.804 -2.473 252 HD11 ILE 30 HD11 ILE 30 7.885 43.182 -1.920 253 HD12 ILE 30 HD12 ILE 30 6.278 43.032 -2.572 254 HD13 ILE 30 HD13 ILE 30 7.755 43.653 -3.576 255 H GLN 31 H GLN 31 10.995 40.175 -6.458 256 HA GLN 31 HA GLN 31 13.509 40.757 -5.912 257 HB2 GLN 31 HB2 GLN 31 12.909 38.764 -6.931 258 HB3 GLN 31 HB3 GLN 31 12.415 39.555 -8.432 259 HG2 GLN 31 HG2 GLN 31 14.559 38.592 -8.835 260 HG3 GLN 31 HG3 GLN 31 14.765 40.271 -8.776 261 HE21 GLN 31 HE21 GLN 31 15.919 37.361 -7.654 262 HE22 GLN 31 HE22 GLN 31 17.000 37.980 -6.481 263 H ASP 32 H ASP 32 11.358 42.129 -8.561 264 HA ASP 32 HA ASP 32 13.316 43.895 -9.719 265 HB2 ASP 32 HB2 ASP 32 11.021 43.136 -10.703 266 HB3 ASP 32 HB3 ASP 32 10.236 44.235 -9.556 267 H LYS 33 H LYS 33 10.546 44.448 -7.392 268 HA LYS 33 HA LYS 33 11.234 47.150 -7.401 269 HB2 LYS 33 HB2 LYS 33 9.258 45.893 -5.503 270 HB3 LYS 33 HB3 LYS 33 9.424 47.682 -6.015 271 HG2 LYS 33 HG2 LYS 33 8.302 45.380 -7.660 272 HG3 LYS 33 HG3 LYS 33 7.493 46.740 -6.981 273 HD2 LYS 33 HD2 LYS 33 8.581 48.282 -8.423 274 HD3 LYS 33 HD3 LYS 33 9.767 47.214 -9.007 275 HE2 LYS 33 HE2 LYS 33 7.450 45.918 -9.851 276 HE3 LYS 33 HE3 LYS 33 6.874 47.554 -9.757 277 HZ1 LYS 33 HZ1 LYS 33 9.198 46.771 -11.415 278 HZ2 LYS 33 HZ2 LYS 33 8.757 48.265 -11.080 279 HZ3 LYS 33 HZ3 LYS 33 7.570 47.236 -11.804 280 H GLU 34 H GLU 34 12.334 44.678 -5.200 281 HA GLU 34 HA GLU 34 13.679 46.814 -3.705 282 HB2 GLU 34 HB2 GLU 34 11.895 44.704 -2.787 283 HB3 GLU 34 HB3 GLU 34 13.179 45.188 -1.609 284 HG2 GLU 34 HG2 GLU 34 11.229 47.117 -3.017 285 HG3 GLU 34 HG3 GLU 34 10.833 46.253 -1.511 286 H GLY 35 H GLY 35 14.026 43.762 -5.410 287 HA2 GLY 35 HA2 GLY 35 15.856 42.667 -5.848 288 HA3 GLY 35 HA3 GLY 35 16.848 43.914 -5.004 289 H ILE 36 H ILE 36 14.209 41.788 -3.767 290 HA ILE 36 HA ILE 36 16.019 40.334 -1.992 291 HB ILE 36 HB ILE 36 12.957 40.483 -2.159 292 HG12 ILE 36 HG12 ILE 36 13.498 42.612 -1.696 293 HG13 ILE 36 HG13 ILE 36 13.045 41.986 -0.210 294 HG21 ILE 36 HG21 ILE 36 13.854 38.349 -1.023 295 HG22 ILE 36 HG22 ILE 36 13.028 39.369 0.056 296 HG23 ILE 36 HG23 ILE 36 14.838 39.319 0.084 297 HD11 ILE 36 HD11 ILE 36 15.138 43.454 0.147 298 HD12 ILE 36 HD12 ILE 36 15.991 42.414 -1.032 299 HD13 ILE 36 HD13 ILE 36 15.397 41.722 0.569 300 HA PRO 37 HA PRO 37 15.356 37.044 -4.911 301 HB2 PRO 37 HB2 PRO 37 16.754 35.317 -2.903 302 HB3 PRO 37 HB3 PRO 37 17.023 35.433 -4.612 303 HG2 PRO 37 HG2 PRO 37 18.826 36.757 -2.931 304 HG3 PRO 37 HG3 PRO 37 18.231 37.603 -4.374 305 HD2 PRO 37 HD2 PRO 37 17.059 37.957 -1.586 306 HD3 PRO 37 HD3 PRO 37 17.546 39.208 -2.827 307 HA PRO 38 HA PRO 38 11.639 35.342 -3.069 308 HB2 PRO 38 HB2 PRO 38 11.406 32.906 -4.504 309 HB3 PRO 38 HB3 PRO 38 10.878 34.499 -5.286 310 HG2 PRO 38 HG2 PRO 38 13.345 32.943 -5.554 311 HG3 PRO 38 HG3 PRO 38 12.422 33.754 -6.776 312 HD2 PRO 38 HD2 PRO 38 14.633 35.038 -5.663 313 HD3 PRO 38 HD3 PRO 38 13.057 36.022 -5.910 314 H ASP 39 H ASP 39 14.465 33.230 -2.622 315 HA ASP 39 HA ASP 39 12.974 31.451 -0.828 316 HB2 ASP 39 HB2 ASP 39 14.950 30.159 -0.818 317 HB3 ASP 39 HB3 ASP 39 14.685 30.853 -2.505 318 H GLN 40 H GLN 40 14.552 34.581 -0.476 319 HA GLN 40 HA GLN 40 14.609 34.378 2.409 320 HB2 GLN 40 HB2 GLN 40 14.620 36.813 0.592 321 HB3 GLN 40 HB3 GLN 40 15.033 36.637 2.301 322 HG2 GLN 40 HG2 GLN 40 16.957 35.072 1.732 323 HG3 GLN 40 HG3 GLN 40 16.684 35.563 0.023 324 HE21 GLN 40 HE21 GLN 40 17.380 36.722 3.540 325 HE22 GLN 40 HE22 GLN 40 18.432 37.941 3.118 326 H GLN 41 H GLN 41 12.021 34.738 0.068 327 HA GLN 41 HA GLN 41 10.598 36.680 1.910 328 HB2 GLN 41 HB2 GLN 41 9.725 35.918 -0.834 329 HB3 GLN 41 HB3 GLN 41 9.060 37.253 0.193 330 HG2 GLN 41 HG2 GLN 41 10.964 38.612 -0.191 331 HG3 GLN 41 HG3 GLN 41 11.970 37.255 -0.745 332 HE21 GLN 41 HE21 GLN 41 12.260 38.022 -3.143 333 HE22 GLN 41 HE22 GLN 41 10.923 38.559 -4.094 334 H ARG 42 H ARG 42 8.712 36.463 2.897 335 HA ARG 42 HA ARG 42 7.237 33.931 2.375 336 HB2 ARG 42 HB2 ARG 42 7.826 35.336 4.934 337 HB3 ARG 42 HB3 ARG 42 6.821 33.875 4.848 338 HG2 ARG 42 HG2 ARG 42 9.841 34.337 4.884 339 HG3 ARG 42 HG3 ARG 42 8.854 33.181 5.721 340 HD2 ARG 42 HD2 ARG 42 8.904 31.428 4.314 341 HD3 ARG 42 HD3 ARG 42 8.749 32.569 2.954 342 HE ARG 42 HE ARG 42 11.080 32.314 2.674 343 HH11 ARG 42 HH11 ARG 42 10.333 31.450 5.958 344 HH12 ARG 42 HH12 ARG 42 11.765 30.558 6.185 345 HH21 ARG 42 HH21 ARG 42 13.153 31.625 3.128 346 HH22 ARG 42 HH22 ARG 42 13.315 30.679 4.529 347 H LEU 43 H LEU 43 5.098 34.583 1.771 348 HA LEU 43 HA LEU 43 4.258 37.133 2.640 349 HB2 LEU 43 HB2 LEU 43 3.576 35.207 0.332 350 HB3 LEU 43 HB3 LEU 43 2.564 36.627 0.701 351 HG LEU 43 HG LEU 43 5.550 37.050 0.257 352 HD11 LEU 43 HD11 LEU 43 3.270 37.263 -1.765 353 HD12 LEU 43 HD12 LEU 43 4.671 36.123 -1.980 354 HD13 LEU 43 HD13 LEU 43 4.944 37.814 -2.091 355 HD21 LEU 43 HD21 LEU 43 3.107 38.886 0.211 356 HD22 LEU 43 HD22 LEU 43 4.735 39.417 -0.354 357 HD23 LEU 43 HD23 LEU 43 4.499 38.947 1.337 358 H ILE 44 H ILE 44 2.555 37.457 3.712 359 HA ILE 44 HA ILE 44 0.883 35.222 4.733 360 HB ILE 44 HB ILE 44 2.052 37.670 6.141 361 HG12 ILE 44 HG12 ILE 44 2.582 35.601 7.772 362 HG13 ILE 44 HG13 ILE 44 2.659 34.717 6.286 363 HG21 ILE 44 HG21 ILE 44 0.662 36.560 8.120 364 HG22 ILE 44 HG22 ILE 44 0.041 35.341 7.047 365 HG23 ILE 44 HG23 ILE 44 -0.444 37.083 6.842 366 HD11 ILE 44 HD11 ILE 44 4.465 36.159 5.357 367 HD12 ILE 44 HD12 ILE 44 4.884 35.402 6.851 368 HD13 ILE 44 HD13 ILE 44 4.408 37.204 6.834 369 H PHE 45 H PHE 45 -1.362 35.562 4.427 370 HA PHE 45 HA PHE 45 -2.313 38.312 4.306 371 HB2 PHE 45 HB2 PHE 45 -2.114 37.560 1.672 372 HB3 PHE 45 HB3 PHE 45 -3.095 36.172 2.134 373 HD1 PHE 45 HD1 PHE 45 -3.317 39.867 2.329 374 HD2 PHE 45 HD2 PHE 45 -5.505 36.200 1.713 375 HE1 PHE 45 HE1 PHE 45 -5.271 41.249 1.593 376 HE2 PHE 45 HE2 PHE 45 -7.544 37.594 1.362 377 HZ PHE 45 HZ PHE 45 -7.501 39.944 1.139 378 H ALA 46 H ALA 46 -4.442 38.331 5.363 379 HA ALA 46 HA ALA 46 -5.989 37.755 6.809 380 HB1 ALA 46 HB1 ALA 46 -6.743 36.625 4.752 381 HB2 ALA 46 HB2 ALA 46 -7.424 35.942 6.193 382 HB3 ALA 46 HB3 ALA 46 -6.012 35.103 5.452 383 H GLY 47 H GLY 47 -3.378 37.234 7.676 384 HA2 GLY 47 HA2 GLY 47 -2.005 36.225 9.177 385 HA3 GLY 47 HA3 GLY 47 -3.498 35.361 9.784 386 H LYS 48 H LYS 48 -2.965 34.451 6.570 387 HA LYS 48 HA LYS 48 -1.772 31.880 7.462 388 HB2 LYS 48 HB2 LYS 48 -3.865 32.637 5.365 389 HB3 LYS 48 HB3 LYS 48 -3.271 30.959 5.638 390 HG2 LYS 48 HG2 LYS 48 -4.371 30.982 7.915 391 HG3 LYS 48 HG3 LYS 48 -4.933 32.598 7.547 392 HD2 LYS 48 HD2 LYS 48 -5.926 30.094 6.038 393 HD3 LYS 48 HD3 LYS 48 -6.743 31.037 7.298 394 HE2 LYS 48 HE2 LYS 48 -6.862 32.954 5.725 395 HE3 LYS 48 HE3 LYS 48 -5.947 32.103 4.565 396 HZ1 LYS 48 HZ1 LYS 48 -8.452 30.994 5.553 397 HZ2 LYS 48 HZ2 LYS 48 -7.461 30.511 4.233 398 HZ3 LYS 48 HZ3 LYS 48 -8.267 32.049 4.211 399 H GLN 49 H GLN 49 -0.564 30.884 6.289 400 HA GLN 49 HA GLN 49 1.480 32.208 4.826 401 HB2 GLN 49 HB2 GLN 49 1.077 29.163 5.090 402 HB3 GLN 49 HB3 GLN 49 2.538 30.010 4.606 403 HG2 GLN 49 HG2 GLN 49 1.241 29.665 7.358 404 HG3 GLN 49 HG3 GLN 49 2.877 29.430 6.802 405 HE21 GLN 49 HE21 GLN 49 0.980 31.153 8.796 406 HE22 GLN 49 HE22 GLN 49 1.604 32.792 8.634 407 H LEU 50 H LEU 50 1.748 32.603 2.675 408 HA LEU 50 HA LEU 50 -0.102 31.307 0.738 409 HB2 LEU 50 HB2 LEU 50 1.780 33.532 -0.115 410 HB3 LEU 50 HB3 LEU 50 0.390 32.739 -0.956 411 HG LEU 50 HG LEU 50 0.511 34.504 1.586 412 HD11 LEU 50 HD11 LEU 50 -0.641 35.155 -1.228 413 HD12 LEU 50 HD12 LEU 50 0.693 35.964 -0.334 414 HD13 LEU 50 HD13 LEU 50 -1.025 36.003 0.222 415 HD21 LEU 50 HD21 LEU 50 -1.379 32.813 1.781 416 HD22 LEU 50 HD22 LEU 50 -1.882 33.351 0.126 417 HD23 LEU 50 HD23 LEU 50 -1.979 34.428 1.537 418 H GLU 51 H GLU 51 0.500 29.796 -0.641 419 HA GLU 51 HA GLU 51 3.172 28.714 -0.474 420 HB2 GLU 51 HB2 GLU 51 0.732 27.668 -1.939 421 HB3 GLU 51 HB3 GLU 51 2.369 26.829 -1.761 422 HG2 GLU 51 HG2 GLU 51 1.962 27.189 0.762 423 HG3 GLU 51 HG3 GLU 51 0.299 27.565 0.419 424 H ASP 52 H ASP 52 4.700 28.764 -2.391 425 HA ASP 52 HA ASP 52 4.380 30.817 -3.938 426 HB2 ASP 52 HB2 ASP 52 6.125 28.355 -4.293 427 HB3 ASP 52 HB3 ASP 52 6.206 29.807 -5.328 428 H GLY 53 H GLY 53 3.560 27.431 -5.162 429 HA2 GLY 53 HA2 GLY 53 3.245 28.226 -7.858 430 HA3 GLY 53 HA3 GLY 53 2.746 26.666 -7.107 431 H ARG 54 H ARG 54 1.216 28.430 -5.252 432 HA ARG 54 HA ARG 54 -1.333 28.338 -6.464 433 HB2 ARG 54 HB2 ARG 54 -0.565 29.545 -3.829 434 HB3 ARG 54 HB3 ARG 54 -2.229 29.337 -4.284 435 HG2 ARG 54 HG2 ARG 54 -0.343 26.930 -3.984 436 HG3 ARG 54 HG3 ARG 54 -1.482 27.539 -2.768 437 HD2 ARG 54 HD2 ARG 54 -3.456 26.966 -4.399 438 HD3 ARG 54 HD3 ARG 54 -2.183 26.699 -5.603 439 HE ARG 54 HE ARG 54 -1.475 25.071 -3.308 440 HH11 ARG 54 HH11 ARG 54 -4.144 24.882 -5.764 441 HH12 ARG 54 HH12 ARG 54 -4.483 23.350 -5.042 442 HH21 ARG 54 HH21 ARG 54 -2.092 23.065 -2.845 443 HH22 ARG 54 HH22 ARG 54 -3.189 22.270 -3.900 444 H THR 55 H THR 55 -2.754 29.938 -7.232 445 HA THR 55 HA THR 55 -1.574 32.451 -7.955 446 HB THR 55 HB THR 55 -3.647 32.801 -9.280 447 HG1 THR 55 HG1 THR 55 -4.442 30.260 -8.250 448 HG21 THR 55 HG21 THR 55 -3.365 31.094 -10.916 449 HG22 THR 55 HG22 THR 55 -2.515 29.989 -9.742 450 HG23 THR 55 HG23 THR 55 -1.873 31.631 -10.176 451 H LEU 56 H LEU 56 -2.738 34.391 -7.688 452 HA LEU 56 HA LEU 56 -3.660 35.192 -5.130 453 HB2 LEU 56 HB2 LEU 56 -4.215 36.269 -7.916 454 HB3 LEU 56 HB3 LEU 56 -4.505 37.303 -6.479 455 HG LEU 56 HG LEU 56 -1.694 36.183 -6.965 456 HD11 LEU 56 HD11 LEU 56 -1.048 38.067 -8.241 457 HD12 LEU 56 HD12 LEU 56 -2.776 38.743 -8.058 458 HD13 LEU 56 HD13 LEU 56 -2.379 37.292 -9.073 459 HD21 LEU 56 HD21 LEU 56 -1.119 38.132 -5.723 460 HD22 LEU 56 HD22 LEU 56 -2.142 37.003 -4.708 461 HD23 LEU 56 HD23 LEU 56 -2.837 38.557 -5.351 462 H SER 57 H SER 57 -5.448 34.352 -8.067 463 HA SER 57 HA SER 57 -7.994 34.525 -7.211 464 HB2 SER 57 HB2 SER 57 -7.784 34.173 -9.359 465 HB3 SER 57 HB3 SER 57 -6.778 32.658 -9.276 466 HG SER 57 HG SER 57 -8.764 31.673 -8.908 467 H ASP 58 H ASP 58 -6.031 31.598 -6.681 468 HA ASP 58 HA ASP 58 -7.716 29.855 -5.503 469 HB2 ASP 58 HB2 ASP 58 -4.718 30.278 -5.019 470 HB3 ASP 58 HB3 ASP 58 -5.740 28.823 -4.605 471 H TYR 59 H TYR 59 -6.034 32.575 -3.856 472 HA TYR 59 HA TYR 59 -7.150 31.749 -1.255 473 HB2 TYR 59 HB2 TYR 59 -5.069 33.721 -2.541 474 HB3 TYR 59 HB3 TYR 59 -5.466 33.876 -0.794 475 HD1 TYR 59 HD1 TYR 59 -3.060 32.587 -2.966 476 HD2 TYR 59 HD2 TYR 59 -5.438 31.414 0.399 477 HE1 TYR 59 HE1 TYR 59 -1.457 30.870 -2.459 478 HE2 TYR 59 HE2 TYR 59 -3.895 29.497 0.762 479 HH TYR 59 HH TYR 59 -1.958 28.515 0.189 480 H ASN 60 H ASN 60 -8.257 33.594 -3.791 481 HA ASN 60 HA ASN 60 -9.764 34.986 -4.064 482 HB2 ASN 60 HB2 ASN 60 -10.748 34.690 -1.224 483 HB3 ASN 60 HB3 ASN 60 -11.657 35.484 -2.492 484 HD21 ASN 60 HD21 ASN 60 -12.109 34.045 -4.516 485 HD22 ASN 60 HD22 ASN 60 -12.102 32.315 -4.313 486 H ILE 61 H ILE 61 -7.246 36.094 -3.616 487 HA ILE 61 HA ILE 61 -7.502 38.485 -2.114 488 HB ILE 61 HB ILE 61 -5.413 37.360 -3.846 489 HG12 ILE 61 HG12 ILE 61 -5.205 38.408 -1.049 490 HG13 ILE 61 HG13 ILE 61 -5.806 36.750 -1.336 491 HG21 ILE 61 HG21 ILE 61 -5.563 40.225 -2.803 492 HG22 ILE 61 HG22 ILE 61 -5.225 39.624 -4.497 493 HG23 ILE 61 HG23 ILE 61 -3.967 39.477 -3.345 494 HD11 ILE 61 HD11 ILE 61 -3.052 37.761 -2.256 495 HD12 ILE 61 HD12 ILE 61 -3.622 36.208 -2.538 496 HD13 ILE 61 HD13 ILE 61 -3.176 36.662 -0.877 497 H GLN 62 H GLN 62 -8.613 40.239 -2.748 498 HA GLN 62 HA GLN 62 -9.334 40.559 -5.549 499 HB2 GLN 62 HB2 GLN 62 -10.116 42.103 -3.058 500 HB3 GLN 62 HB3 GLN 62 -10.872 42.244 -4.608 501 HG2 GLN 62 HG2 GLN 62 -10.901 39.620 -3.027 502 HG3 GLN 62 HG3 GLN 62 -12.081 40.891 -2.882 503 HE21 GLN 62 HE21 GLN 62 -13.940 40.593 -4.100 504 HE22 GLN 62 HE22 GLN 62 -13.989 39.548 -5.456 505 H LYS 63 H LYS 63 -9.265 42.880 -6.455 506 HA LYS 63 HA LYS 63 -6.810 44.022 -6.447 507 HB2 LYS 63 HB2 LYS 63 -7.573 45.682 -7.889 508 HB3 LYS 63 HB3 LYS 63 -8.443 44.150 -8.089 509 HG2 LYS 63 HG2 LYS 63 -10.145 46.077 -8.396 510 HG3 LYS 63 HG3 LYS 63 -10.490 45.102 -6.995 511 HD2 LYS 63 HD2 LYS 63 -9.989 46.974 -5.618 512 HD3 LYS 63 HD3 LYS 63 -8.918 47.809 -6.768 513 HE2 LYS 63 HE2 LYS 63 -10.917 48.492 -8.122 514 HE3 LYS 63 HE3 LYS 63 -11.931 47.487 -7.108 515 HZ1 LYS 63 HZ1 LYS 63 -11.878 48.844 -5.388 516 HZ2 LYS 63 HZ2 LYS 63 -11.722 50.024 -6.591 517 HZ3 LYS 63 HZ3 LYS 63 -10.379 49.552 -5.716 518 H GLU 64 H GLU 64 -5.838 45.752 -5.591 519 HA GLU 64 HA GLU 64 -5.274 47.475 -4.065 520 HB2 GLU 64 HB2 GLU 64 -8.238 47.793 -4.288 521 HB3 GLU 64 HB3 GLU 64 -7.277 48.774 -3.124 522 HG2 GLU 64 HG2 GLU 64 -5.639 49.356 -4.959 523 HG3 GLU 64 HG3 GLU 64 -6.751 48.633 -6.141 524 H SER 65 H SER 65 -5.781 44.531 -3.209 525 HA SER 65 HA SER 65 -6.331 44.954 -0.376 526 HB2 SER 65 HB2 SER 65 -4.989 42.555 -1.648 527 HB3 SER 65 HB3 SER 65 -5.593 42.709 0.107 528 HG SER 65 HG SER 65 -7.031 42.392 -2.267 529 H THR 66 H THR 66 -4.799 44.423 1.492 530 HA THR 66 HA THR 66 -1.998 45.339 0.754 531 HB THR 66 HB THR 66 -3.302 45.733 3.459 532 HG1 THR 66 HG1 THR 66 -4.168 47.122 1.843 533 HG21 THR 66 HG21 THR 66 -0.748 46.566 1.995 534 HG22 THR 66 HG22 THR 66 -0.635 45.746 3.502 535 HG23 THR 66 HG23 THR 66 -1.309 47.359 3.501 536 H LEU 67 H LEU 67 -0.752 43.724 0.814 537 HA LEU 67 HA LEU 67 -1.227 41.252 2.368 538 HB2 LEU 67 HB2 LEU 67 0.515 41.703 -0.114 539 HB3 LEU 67 HB3 LEU 67 0.503 40.278 0.983 540 HG LEU 67 HG LEU 67 -1.657 39.634 0.419 541 HD11 LEU 67 HD11 LEU 67 -2.738 41.854 0.010 542 HD12 LEU 67 HD12 LEU 67 -3.052 40.688 -1.258 543 HD13 LEU 67 HD13 LEU 67 -1.886 41.985 -1.582 544 HD21 LEU 67 HD21 LEU 67 -1.326 39.195 -2.059 545 HD22 LEU 67 HD22 LEU 67 -0.011 38.688 -0.997 546 HD23 LEU 67 HD23 LEU 67 0.180 40.168 -2.019 547 H HIS 68 H HIS 68 0.745 40.140 3.453 548 HA HIS 68 HA HIS 68 2.666 42.163 4.366 549 HB2 HIS 68 HB2 HIS 68 1.367 39.844 5.999 550 HB3 HIS 68 HB3 HIS 68 2.762 40.801 6.529 551 HD1 HIS 68 HD1 HIS 68 -0.037 40.541 7.953 552 HD2 HIS 68 HD2 HIS 68 0.936 43.676 5.350 553 HE1 HIS 68 HE1 HIS 68 -1.582 42.492 8.500 554 H LEU 69 H LEU 69 4.604 41.718 4.545 555 HA LEU 69 HA LEU 69 5.780 39.371 3.214 556 HB2 LEU 69 HB2 LEU 69 5.941 41.171 1.647 557 HB3 LEU 69 HB3 LEU 69 6.512 42.355 2.898 558 HG LEU 69 HG LEU 69 8.644 41.173 2.862 559 HD11 LEU 69 HD11 LEU 69 8.995 39.384 0.940 560 HD12 LEU 69 HD12 LEU 69 7.209 39.357 0.916 561 HD13 LEU 69 HD13 LEU 69 8.131 38.788 2.348 562 HD21 LEU 69 HD21 LEU 69 7.979 42.956 1.174 563 HD22 LEU 69 HD22 LEU 69 7.661 41.667 0.005 564 HD23 LEU 69 HD23 LEU 69 9.284 41.871 0.504 565 H VAL 70 H VAL 70 7.164 38.062 4.347 566 HA VAL 70 HA VAL 70 8.583 39.462 6.644 567 HB VAL 70 HB VAL 70 7.336 36.774 6.374 568 HG11 VAL 70 HG11 VAL 70 9.759 36.325 7.333 569 HG12 VAL 70 HG12 VAL 70 8.491 36.207 8.543 570 HG13 VAL 70 HG13 VAL 70 9.465 37.657 8.462 571 HG21 VAL 70 HG21 VAL 70 6.225 37.632 8.433 572 HG22 VAL 70 HG22 VAL 70 5.840 38.649 7.161 573 HG23 VAL 70 HG23 VAL 70 7.094 39.143 8.412 574 H LEU 71 H LEU 71 10.505 39.871 6.118 575 HA LEU 71 HA LEU 71 11.987 38.390 4.094 576 HB2 LEU 71 HB2 LEU 71 12.306 40.870 4.138 577 HB3 LEU 71 HB3 LEU 71 12.626 40.688 5.845 578 HG LEU 71 HG LEU 71 14.803 39.597 5.480 579 HD11 LEU 71 HD11 LEU 71 14.063 38.418 3.362 580 HD12 LEU 71 HD12 LEU 71 15.685 39.161 3.237 581 HD13 LEU 71 HD13 LEU 71 14.200 39.982 2.501 582 HD21 LEU 71 HD21 LEU 71 14.715 41.932 5.621 583 HD22 LEU 71 HD22 LEU 71 14.289 42.064 3.875 584 HD23 LEU 71 HD23 LEU 71 15.937 41.467 4.357 585 H ARG 72 H ARG 72 13.035 36.292 4.540 586 HA ARG 72 HA ARG 72 13.829 35.881 7.249 587 HB2 ARG 72 HB2 ARG 72 12.638 34.104 5.810 588 HB3 ARG 72 HB3 ARG 72 13.827 34.067 4.713 589 HG2 ARG 72 HG2 ARG 72 14.224 32.259 6.086 590 HG3 ARG 72 HG3 ARG 72 15.595 33.314 6.543 591 HD2 ARG 72 HD2 ARG 72 14.349 34.038 8.783 592 HD3 ARG 72 HD3 ARG 72 13.093 32.967 8.293 593 HE ARG 72 HE ARG 72 15.475 31.416 8.125 594 HH11 ARG 72 HH11 ARG 72 13.913 33.261 10.807 595 HH12 ARG 72 HH12 ARG 72 14.927 32.552 11.960 596 HH21 ARG 72 HH21 ARG 72 16.095 29.976 9.786 597 HH22 ARG 72 HH22 ARG 72 15.685 30.473 11.402 598 H LEU 73 H LEU 73 15.939 36.275 8.014 599 HA LEU 73 HA LEU 73 17.821 37.098 6.065 600 HB2 LEU 73 HB2 LEU 73 18.483 36.593 8.979 601 HB3 LEU 73 HB3 LEU 73 19.410 37.503 7.735 602 HG LEU 73 HG LEU 73 16.618 38.426 8.777 603 HD11 LEU 73 HD11 LEU 73 17.921 40.249 9.924 604 HD12 LEU 73 HD12 LEU 73 19.423 39.305 9.541 605 HD13 LEU 73 HD13 LEU 73 18.212 38.612 10.634 606 HD21 LEU 73 HD21 LEU 73 17.396 40.661 7.585 607 HD22 LEU 73 HD22 LEU 73 16.952 39.371 6.548 608 HD23 LEU 73 HD23 LEU 73 18.666 39.626 6.857 609 H ARG 74 H ARG 74 19.738 36.155 5.363 610 HA ARG 74 HA ARG 74 20.085 33.438 5.264 611 HB2 ARG 74 HB2 ARG 74 22.008 35.703 4.630 612 HB3 ARG 74 HB3 ARG 74 22.267 33.890 4.432 613 HG2 ARG 74 HG2 ARG 74 19.975 35.388 3.058 614 HG3 ARG 74 HG3 ARG 74 21.677 35.102 2.473 615 HD2 ARG 74 HD2 ARG 74 21.292 32.625 2.477 616 HD3 ARG 74 HD3 ARG 74 19.538 32.910 2.980 617 HE ARG 74 HE ARG 74 20.127 34.659 0.886 618 HH11 ARG 74 HH11 ARG 74 19.449 31.197 1.322 619 HH12 ARG 74 HH12 ARG 74 18.569 31.175 -0.157 620 HH21 ARG 74 HH21 ARG 74 19.278 34.497 -0.891 621 HH22 ARG 74 HH22 ARG 74 18.162 33.196 -1.148 622 H GLY 75 H GLY 75 21.307 31.822 6.320 623 HA2 GLY 75 HA2 GLY 75 22.698 31.095 7.982 624 HA3 GLY 75 HA3 GLY 75 22.387 32.565 8.921 625 H GLY 76 H GLY 76 19.633 31.716 7.484 626 HA2 GLY 76 HA2 GLY 76 18.969 29.337 8.744 627 HA3 GLY 76 HA3 GLY 76 18.006 30.718 9.322 Start of MODEL 17 1 H MET 1 HT1 MET 1 -5.738 44.083 -13.028 2 HA MET 1 HA MET 1 -5.629 45.842 -11.440 3 HB2 MET 1 HB2 MET 1 -7.070 44.677 -10.062 4 HB3 MET 1 HB3 MET 1 -6.880 43.433 -11.303 5 HG2 MET 1 HG2 MET 1 -4.920 42.458 -10.097 6 HG3 MET 1 HG3 MET 1 -5.339 43.426 -8.704 7 HE1 MET 1 HE1 MET 1 -5.369 40.989 -7.835 8 HE2 MET 1 HE2 MET 1 -5.707 39.889 -9.223 9 HE3 MET 1 HE3 MET 1 -6.761 39.829 -7.682 10 H GLN 2 H GLN 2 -5.124 46.677 -9.298 11 HA GLN 2 HA GLN 2 -2.355 46.098 -8.516 12 HB2 GLN 2 HB2 GLN 2 -2.429 48.001 -6.954 13 HB3 GLN 2 HB3 GLN 2 -2.657 48.352 -8.661 14 HG2 GLN 2 HG2 GLN 2 -4.963 48.960 -8.593 15 HG3 GLN 2 HG3 GLN 2 -5.016 48.372 -6.917 16 HE21 GLN 2 HE21 GLN 2 -5.451 50.613 -5.904 17 HE22 GLN 2 HE22 GLN 2 -4.526 51.989 -6.417 18 H ILE 3 H ILE 3 -1.745 45.438 -6.587 19 HA ILE 3 HA ILE 3 -3.517 45.169 -4.212 20 HB ILE 3 HB ILE 3 -2.352 43.195 -3.517 21 HG12 ILE 3 HG12 ILE 3 -1.278 42.819 -6.422 22 HG13 ILE 3 HG13 ILE 3 -0.371 43.405 -5.035 23 HG21 ILE 3 HG21 ILE 3 -3.956 42.686 -5.970 24 HG22 ILE 3 HG22 ILE 3 -4.572 43.352 -4.502 25 HG23 ILE 3 HG23 ILE 3 -3.884 41.697 -4.436 26 HD11 ILE 3 HD11 ILE 3 -1.723 40.712 -5.077 27 HD12 ILE 3 HD12 ILE 3 -0.520 41.245 -3.862 28 HD13 ILE 3 HD13 ILE 3 -0.053 40.996 -5.617 29 H PHE 4 H PHE 4 -1.995 45.203 -2.140 30 HA PHE 4 HA PHE 4 0.391 46.772 -2.637 31 HB2 PHE 4 HB2 PHE 4 -1.447 46.886 -0.114 32 HB3 PHE 4 HB3 PHE 4 -0.291 48.102 -0.599 33 HD1 PHE 4 HD1 PHE 4 -0.699 48.687 -3.177 34 HD2 PHE 4 HD2 PHE 4 -3.678 47.481 -0.317 35 HE1 PHE 4 HE1 PHE 4 -2.437 49.925 -4.518 36 HE2 PHE 4 HE2 PHE 4 -5.241 49.103 -1.289 37 HZ PHE 4 HZ PHE 4 -4.713 50.231 -3.401 38 H VAL 5 H VAL 5 2.327 46.350 -1.556 39 HA VAL 5 HA VAL 5 2.297 44.044 0.327 40 HB VAL 5 HB VAL 5 4.816 44.866 -1.117 41 HG11 VAL 5 HG11 VAL 5 5.364 43.907 0.990 42 HG12 VAL 5 HG12 VAL 5 5.537 42.643 -0.156 43 HG13 VAL 5 HG13 VAL 5 4.046 42.709 0.893 44 HG21 VAL 5 HG21 VAL 5 3.231 43.798 -2.756 45 HG22 VAL 5 HG22 VAL 5 2.872 42.547 -1.571 46 HG23 VAL 5 HG23 VAL 5 4.552 42.708 -2.233 47 H LYS 6 H LYS 6 2.591 44.778 2.524 48 HA LYS 6 HA LYS 6 3.828 47.360 3.001 49 HB2 LYS 6 HB2 LYS 6 2.658 45.303 4.972 50 HB3 LYS 6 HB3 LYS 6 3.508 46.865 5.322 51 HG2 LYS 6 HG2 LYS 6 0.910 46.868 3.700 52 HG3 LYS 6 HG3 LYS 6 0.917 46.896 5.430 53 HD2 LYS 6 HD2 LYS 6 2.747 48.958 5.077 54 HD3 LYS 6 HD3 LYS 6 2.302 48.689 3.392 55 HE2 LYS 6 HE2 LYS 6 0.032 49.254 3.700 56 HE3 LYS 6 HE3 LYS 6 0.074 49.272 5.461 57 HZ1 LYS 6 HZ1 LYS 6 1.548 51.079 3.600 58 HZ2 LYS 6 HZ2 LYS 6 1.539 51.259 5.160 59 HZ3 LYS 6 HZ3 LYS 6 0.050 51.501 4.404 60 H THR 7 H THR 7 6.119 47.512 3.304 61 HA THR 7 HA THR 7 7.484 44.977 3.917 62 HB THR 7 HB THR 7 9.443 45.785 3.230 63 HG1 THR 7 HG1 THR 7 9.727 47.842 2.228 64 HG21 THR 7 HG21 THR 7 7.820 44.961 1.320 65 HG22 THR 7 HG22 THR 7 8.976 46.274 0.679 66 HG23 THR 7 HG23 THR 7 7.284 46.554 1.215 67 H LEU 8 H LEU 8 8.740 44.966 5.819 68 HA LEU 8 HA LEU 8 7.658 46.692 7.817 69 HB2 LEU 8 HB2 LEU 8 9.298 44.123 7.849 70 HB3 LEU 8 HB3 LEU 8 8.642 44.845 9.377 71 HG LEU 8 HG LEU 8 7.023 43.496 7.027 72 HD11 LEU 8 HD11 LEU 8 6.460 41.897 8.642 73 HD12 LEU 8 HD12 LEU 8 7.367 42.830 9.980 74 HD13 LEU 8 HD13 LEU 8 8.227 42.004 8.675 75 HD21 LEU 8 HD21 LEU 8 4.971 44.037 8.451 76 HD22 LEU 8 HD22 LEU 8 5.696 45.490 7.983 77 HD23 LEU 8 HD23 LEU 8 6.145 44.911 9.565 78 H THR 9 H THR 9 10.158 47.176 5.722 79 HA THR 9 HA THR 9 12.000 48.332 7.639 80 HB THR 9 HB THR 9 13.257 49.026 5.653 81 HG1 THR 9 HG1 THR 9 12.611 49.005 3.859 82 HG21 THR 9 HG21 THR 9 13.626 47.067 4.552 83 HG22 THR 9 HG22 THR 9 12.047 46.388 4.874 84 HG23 THR 9 HG23 THR 9 13.345 46.609 6.226 85 H GLY 10 H GLY 10 9.082 49.069 6.108 86 HA2 GLY 10 HA2 GLY 10 7.832 50.887 7.072 87 HA3 GLY 10 HA3 GLY 10 9.349 51.870 7.016 88 H LYS 11 H LYS 11 8.124 49.850 4.217 89 HA LYS 11 HA LYS 11 7.095 52.305 3.050 90 HB2 LYS 11 HB2 LYS 11 8.827 50.192 1.633 91 HB3 LYS 11 HB3 LYS 11 8.103 51.707 0.845 92 HG2 LYS 11 HG2 LYS 11 9.470 52.936 2.430 93 HG3 LYS 11 HG3 LYS 11 10.269 51.411 2.978 94 HD2 LYS 11 HD2 LYS 11 10.612 52.672 0.171 95 HD3 LYS 11 HD3 LYS 11 11.785 52.385 1.397 96 HE2 LYS 11 HE2 LYS 11 11.739 49.929 1.228 97 HE3 LYS 11 HE3 LYS 11 10.461 49.950 -0.048 98 HZ1 LYS 11 HZ1 LYS 11 12.446 49.773 -0.951 99 HZ2 LYS 11 HZ2 LYS 11 13.265 51.014 -0.097 100 HZ3 LYS 11 HZ3 LYS 11 12.167 51.412 -1.263 101 H THR 12 H THR 12 5.563 52.005 1.352 102 HA THR 12 HA THR 12 4.315 49.285 1.135 103 HB THR 12 HB THR 12 3.145 52.045 0.415 104 HG1 THR 12 HG1 THR 12 3.483 51.661 2.756 105 HG21 THR 12 HG21 THR 12 1.990 50.099 -0.766 106 HG22 THR 12 HG22 THR 12 1.040 50.738 0.551 107 HG23 THR 12 HG23 THR 12 1.916 49.200 0.808 108 H ILE 13 H ILE 13 4.336 48.154 -0.762 109 HA ILE 13 HA ILE 13 5.433 49.428 -3.079 110 HB ILE 13 HB ILE 13 5.028 46.526 -2.391 111 HG12 ILE 13 HG12 ILE 13 6.759 47.570 -0.785 112 HG13 ILE 13 HG13 ILE 13 7.569 46.513 -1.872 113 HG21 ILE 13 HG21 ILE 13 5.206 46.872 -4.758 114 HG22 ILE 13 HG22 ILE 13 6.785 46.147 -4.211 115 HG23 ILE 13 HG23 ILE 13 6.659 47.905 -4.532 116 HD11 ILE 13 HD11 ILE 13 8.502 48.700 -3.154 117 HD12 ILE 13 HD12 ILE 13 8.756 48.574 -1.412 118 HD13 ILE 13 HD13 ILE 13 7.546 49.678 -1.954 119 H THR 14 H THR 14 4.072 49.352 -4.973 120 HA THR 14 HA THR 14 1.559 47.895 -4.643 121 HB THR 14 HB THR 14 1.796 50.399 -6.316 122 HG1 THR 14 HG1 THR 14 1.782 50.513 -4.137 123 HG21 THR 14 HG21 THR 14 -0.539 48.476 -5.588 124 HG22 THR 14 HG22 THR 14 0.009 48.735 -7.252 125 HG23 THR 14 HG23 THR 14 -0.771 50.100 -6.331 126 H LEU 15 H LEU 15 1.111 46.199 -5.998 127 HA LEU 15 HA LEU 15 2.880 45.690 -8.329 128 HB2 LEU 15 HB2 LEU 15 1.557 43.716 -6.353 129 HB3 LEU 15 HB3 LEU 15 2.392 43.279 -7.860 130 HG LEU 15 HG LEU 15 3.545 44.610 -5.350 131 HD11 LEU 15 HD11 LEU 15 4.313 41.777 -6.234 132 HD12 LEU 15 HD12 LEU 15 2.940 42.144 -5.131 133 HD13 LEU 15 HD13 LEU 15 4.570 42.650 -4.688 134 HD21 LEU 15 HD21 LEU 15 4.966 43.798 -7.854 135 HD22 LEU 15 HD22 LEU 15 5.851 43.932 -6.360 136 HD23 LEU 15 HD23 LEU 15 5.052 45.373 -6.988 137 H GLU 16 H GLU 16 1.836 45.706 -10.306 138 HA GLU 16 HA GLU 16 -1.024 45.229 -10.227 139 HB2 GLU 16 HB2 GLU 16 0.681 46.135 -12.519 140 HB3 GLU 16 HB3 GLU 16 -0.879 45.472 -12.849 141 HG2 GLU 16 HG2 GLU 16 -1.964 47.299 -11.358 142 HG3 GLU 16 HG3 GLU 16 -0.298 47.919 -11.037 143 H VAL 17 H VAL 17 -1.752 43.403 -10.380 144 HA VAL 17 HA VAL 17 -0.436 41.105 -11.642 145 HB VAL 17 HB VAL 17 -1.301 39.721 -10.010 146 HG11 VAL 17 HG11 VAL 17 0.255 40.357 -8.319 147 HG12 VAL 17 HG12 VAL 17 0.193 42.076 -8.776 148 HG13 VAL 17 HG13 VAL 17 0.983 40.939 -9.813 149 HG21 VAL 17 HG21 VAL 17 -2.248 40.812 -7.791 150 HG22 VAL 17 HG22 VAL 17 -3.252 41.215 -9.269 151 HG23 VAL 17 HG23 VAL 17 -2.076 42.385 -8.690 152 H GLU 18 H GLU 18 -1.809 39.384 -12.369 153 HA GLU 18 HA GLU 18 -4.565 40.241 -13.177 154 HB2 GLU 18 HB2 GLU 18 -2.820 37.940 -14.318 155 HB3 GLU 18 HB3 GLU 18 -4.468 38.385 -14.808 156 HG2 GLU 18 HG2 GLU 18 -2.078 40.292 -15.140 157 HG3 GLU 18 HG3 GLU 18 -2.617 39.220 -16.351 158 HA PRO 19 HA PRO 19 -5.090 37.126 -9.972 159 HB2 PRO 19 HB2 PRO 19 -7.879 36.213 -10.461 160 HB3 PRO 19 HB3 PRO 19 -7.394 37.777 -9.628 161 HG2 PRO 19 HG2 PRO 19 -8.094 37.333 -12.582 162 HG3 PRO 19 HG3 PRO 19 -8.628 38.553 -11.483 163 HD2 PRO 19 HD2 PRO 19 -6.684 38.887 -13.279 164 HD3 PRO 19 HD3 PRO 19 -6.642 39.704 -11.664 165 H SER 20 H SER 20 -5.002 36.052 -13.165 166 HA SER 20 HA SER 20 -4.786 33.188 -12.199 167 HB2 SER 20 HB2 SER 20 -4.126 34.249 -14.948 168 HB3 SER 20 HB3 SER 20 -4.182 32.582 -14.446 169 HG SER 20 HG SER 20 -6.200 34.441 -14.640 170 H ASP 21 H ASP 21 -2.565 35.945 -11.907 171 HA ASP 21 HA ASP 21 -0.218 34.454 -12.530 172 HB2 ASP 21 HB2 ASP 21 -0.548 36.935 -10.761 173 HB3 ASP 21 HB3 ASP 21 0.995 36.357 -11.404 174 H THR 22 H THR 22 1.271 33.278 -11.327 175 HA THR 22 HA THR 22 0.343 32.484 -8.728 176 HB THR 22 HB THR 22 2.472 31.136 -8.641 177 HG1 THR 22 HG1 THR 22 2.711 32.000 -11.349 178 HG21 THR 22 HG21 THR 22 0.580 31.037 -11.046 179 HG22 THR 22 HG22 THR 22 0.469 30.303 -9.384 180 HG23 THR 22 HG23 THR 22 1.571 29.636 -10.586 181 H ILE 23 H ILE 23 1.632 32.294 -6.879 182 HA ILE 23 HA ILE 23 2.433 34.848 -5.928 183 HB ILE 23 HB ILE 23 2.597 32.095 -4.524 184 HG12 ILE 23 HG12 ILE 23 0.350 32.375 -4.898 185 HG13 ILE 23 HG13 ILE 23 0.686 32.847 -3.177 186 HG21 ILE 23 HG21 ILE 23 2.800 33.642 -2.430 187 HG22 ILE 23 HG22 ILE 23 3.321 34.878 -3.578 188 HG23 ILE 23 HG23 ILE 23 4.183 33.275 -3.457 189 HD11 ILE 23 HD11 ILE 23 -0.105 34.553 -5.625 190 HD12 ILE 23 HD12 ILE 23 0.713 35.280 -4.158 191 HD13 ILE 23 HD13 ILE 23 -0.870 34.553 -4.082 192 H GLU 24 H GLU 24 4.226 32.109 -7.126 193 HA GLU 24 HA GLU 24 6.818 33.057 -6.611 194 HB2 GLU 24 HB2 GLU 24 6.603 30.760 -7.345 195 HB3 GLU 24 HB3 GLU 24 5.622 31.328 -8.718 196 HG2 GLU 24 HG2 GLU 24 7.549 32.239 -9.864 197 HG3 GLU 24 HG3 GLU 24 8.553 31.845 -8.372 198 H ASN 25 H ASN 25 4.592 33.739 -9.381 199 HA ASN 25 HA ASN 25 6.363 35.581 -10.570 200 HB2 ASN 25 HB2 ASN 25 4.521 34.421 -11.817 201 HB3 ASN 25 HB3 ASN 25 3.337 35.246 -10.826 202 HD21 ASN 25 HD21 ASN 25 6.293 36.718 -12.549 203 HD22 ASN 25 HD22 ASN 25 5.334 37.926 -13.220 204 H VAL 26 H VAL 26 3.899 36.181 -8.261 205 HA VAL 26 HA VAL 26 4.233 38.965 -8.003 206 HB VAL 26 HB VAL 26 3.176 36.933 -6.046 207 HG11 VAL 26 HG11 VAL 26 4.006 38.824 -4.742 208 HG12 VAL 26 HG12 VAL 26 2.146 38.936 -4.959 209 HG13 VAL 26 HG13 VAL 26 3.234 40.061 -5.804 210 HG21 VAL 26 HG21 VAL 26 1.947 39.236 -7.856 211 HG22 VAL 26 HG22 VAL 26 1.019 38.263 -6.635 212 HG23 VAL 26 HG23 VAL 26 1.858 37.527 -8.087 213 H LYS 27 H LYS 27 5.974 36.311 -6.264 214 HA LYS 27 HA LYS 27 7.817 37.937 -4.941 215 HB2 LYS 27 HB2 LYS 27 8.138 35.109 -6.001 216 HB3 LYS 27 HB3 LYS 27 9.223 35.978 -4.946 217 HG2 LYS 27 HG2 LYS 27 7.597 36.162 -3.057 218 HG3 LYS 27 HG3 LYS 27 6.304 35.543 -4.149 219 HD2 LYS 27 HD2 LYS 27 6.705 33.663 -3.054 220 HD3 LYS 27 HD3 LYS 27 7.659 33.490 -4.495 221 HE2 LYS 27 HE2 LYS 27 9.714 34.398 -3.321 222 HE3 LYS 27 HE3 LYS 27 8.908 33.863 -1.741 223 HZ1 LYS 27 HZ1 LYS 27 9.781 32.276 -4.087 224 HZ2 LYS 27 HZ2 LYS 27 8.668 31.697 -2.955 225 HZ3 LYS 27 HZ3 LYS 27 10.223 32.152 -2.424 226 H ALA 28 H ALA 28 7.991 36.800 -8.345 227 HA ALA 28 HA ALA 28 10.495 37.795 -8.700 228 HB1 ALA 28 HB1 ALA 28 8.446 37.589 -10.835 229 HB2 ALA 28 HB2 ALA 28 9.587 36.311 -10.276 230 HB3 ALA 28 HB3 ALA 28 10.177 37.737 -11.116 231 H LYS 29 H LYS 29 7.485 39.533 -8.491 232 HA LYS 29 HA LYS 29 8.381 41.852 -9.909 233 HB2 LYS 29 HB2 LYS 29 5.771 41.121 -8.612 234 HB3 LYS 29 HB3 LYS 29 6.112 42.863 -9.076 235 HG2 LYS 29 HG2 LYS 29 6.625 42.179 -11.306 236 HG3 LYS 29 HG3 LYS 29 6.221 40.503 -10.911 237 HD2 LYS 29 HD2 LYS 29 4.063 40.875 -10.519 238 HD3 LYS 29 HD3 LYS 29 4.080 42.633 -10.476 239 HE2 LYS 29 HE2 LYS 29 4.702 42.831 -12.739 240 HE3 LYS 29 HE3 LYS 29 4.887 41.093 -13.051 241 HZ1 LYS 29 HZ1 LYS 29 2.804 41.804 -13.867 242 HZ2 LYS 29 HZ2 LYS 29 2.254 42.385 -12.450 243 HZ3 LYS 29 HZ3 LYS 29 2.530 40.735 -12.618 244 H ILE 30 H ILE 30 8.045 40.667 -6.546 245 HA ILE 30 HA ILE 30 8.484 43.047 -5.023 246 HB ILE 30 HB ILE 30 8.713 40.077 -4.256 247 HG12 ILE 30 HG12 ILE 30 7.079 42.413 -3.145 248 HG13 ILE 30 HG13 ILE 30 6.512 41.474 -4.540 249 HG21 ILE 30 HG21 ILE 30 9.360 41.056 -1.915 250 HG22 ILE 30 HG22 ILE 30 9.621 42.578 -2.779 251 HG23 ILE 30 HG23 ILE 30 10.615 41.139 -3.207 252 HD11 ILE 30 HD11 ILE 30 6.824 40.430 -1.708 253 HD12 ILE 30 HD12 ILE 30 7.274 39.363 -2.992 254 HD13 ILE 30 HD13 ILE 30 5.600 40.029 -2.967 255 H GLN 31 H GLN 31 10.619 40.374 -6.321 256 HA GLN 31 HA GLN 31 13.104 41.562 -5.649 257 HB2 GLN 31 HB2 GLN 31 12.785 39.033 -6.274 258 HB3 GLN 31 HB3 GLN 31 12.590 39.569 -7.969 259 HG2 GLN 31 HG2 GLN 31 15.039 40.633 -6.560 260 HG3 GLN 31 HG3 GLN 31 14.933 38.926 -6.926 261 HE21 GLN 31 HE21 GLN 31 16.599 41.506 -7.977 262 HE22 GLN 31 HE22 GLN 31 16.263 41.524 -9.642 263 H ASP 32 H ASP 32 11.247 41.860 -8.764 264 HA ASP 32 HA ASP 32 13.036 43.450 -9.963 265 HB2 ASP 32 HB2 ASP 32 11.131 42.215 -10.818 266 HB3 ASP 32 HB3 ASP 32 9.981 43.408 -10.173 267 H LYS 33 H LYS 33 10.234 44.664 -7.662 268 HA LYS 33 HA LYS 33 11.323 47.173 -7.787 269 HB2 LYS 33 HB2 LYS 33 8.903 46.734 -7.388 270 HB3 LYS 33 HB3 LYS 33 9.413 45.859 -6.021 271 HG2 LYS 33 HG2 LYS 33 8.512 48.182 -5.386 272 HG3 LYS 33 HG3 LYS 33 10.173 48.018 -4.831 273 HD2 LYS 33 HD2 LYS 33 11.021 49.322 -6.720 274 HD3 LYS 33 HD3 LYS 33 9.517 49.383 -7.480 275 HE2 LYS 33 HE2 LYS 33 9.732 51.561 -6.355 276 HE3 LYS 33 HE3 LYS 33 8.486 50.582 -5.481 277 HZ1 LYS 33 HZ1 LYS 33 11.290 51.085 -4.927 278 HZ2 LYS 33 HZ2 LYS 33 10.521 49.873 -3.991 279 HZ3 LYS 33 HZ3 LYS 33 9.985 51.455 -3.928 280 H GLU 34 H GLU 34 11.631 44.882 -5.235 281 HA GLU 34 HA GLU 34 13.383 46.855 -3.841 282 HB2 GLU 34 HB2 GLU 34 11.703 44.543 -2.825 283 HB3 GLU 34 HB3 GLU 34 12.699 45.434 -1.728 284 HG2 GLU 34 HG2 GLU 34 10.244 46.652 -3.268 285 HG3 GLU 34 HG3 GLU 34 10.561 46.202 -1.525 286 H GLY 35 H GLY 35 13.900 43.962 -5.547 287 HA2 GLY 35 HA2 GLY 35 15.980 43.060 -5.918 288 HA3 GLY 35 HA3 GLY 35 16.728 44.203 -4.878 289 H ILE 36 H ILE 36 14.122 41.925 -3.909 290 HA ILE 36 HA ILE 36 15.953 40.967 -1.859 291 HB ILE 36 HB ILE 36 12.942 40.662 -2.222 292 HG12 ILE 36 HG12 ILE 36 14.439 42.296 -0.227 293 HG13 ILE 36 HG13 ILE 36 13.748 43.005 -1.762 294 HG21 ILE 36 HG21 ILE 36 12.875 39.607 -0.007 295 HG22 ILE 36 HG22 ILE 36 14.513 40.163 0.326 296 HG23 ILE 36 HG23 ILE 36 14.328 38.860 -0.755 297 HD11 ILE 36 HD11 ILE 36 12.180 41.770 0.631 298 HD12 ILE 36 HD12 ILE 36 11.485 42.316 -0.945 299 HD13 ILE 36 HD13 ILE 36 12.294 43.495 0.129 300 HA PRO 37 HA PRO 37 16.069 37.245 -4.384 301 HB2 PRO 37 HB2 PRO 37 17.008 36.183 -1.635 302 HB3 PRO 37 HB3 PRO 37 17.596 35.619 -3.262 303 HG2 PRO 37 HG2 PRO 37 18.973 37.362 -1.864 304 HG3 PRO 37 HG3 PRO 37 18.706 37.671 -3.608 305 HD2 PRO 37 HD2 PRO 37 17.284 38.802 -1.154 306 HD3 PRO 37 HD3 PRO 37 17.803 39.778 -2.582 307 HA PRO 38 HA PRO 38 11.987 35.734 -3.249 308 HB2 PRO 38 HB2 PRO 38 12.595 33.709 -5.448 309 HB3 PRO 38 HB3 PRO 38 11.072 34.661 -5.247 310 HG2 PRO 38 HG2 PRO 38 12.798 35.482 -7.098 311 HG3 PRO 38 HG3 PRO 38 12.083 36.730 -5.939 312 HD2 PRO 38 HD2 PRO 38 14.811 35.350 -5.907 313 HD3 PRO 38 HD3 PRO 38 14.415 37.092 -5.555 314 H ASP 39 H ASP 39 14.724 33.473 -3.167 315 HA ASP 39 HA ASP 39 13.533 31.588 -1.612 316 HB2 ASP 39 HB2 ASP 39 16.435 32.771 -1.516 317 HB3 ASP 39 HB3 ASP 39 15.940 31.278 -0.551 318 H GLN 40 H GLN 40 14.472 34.926 -0.451 319 HA GLN 40 HA GLN 40 13.948 34.044 2.354 320 HB2 GLN 40 HB2 GLN 40 14.818 36.711 1.068 321 HB3 GLN 40 HB3 GLN 40 14.716 36.325 2.764 322 HG2 GLN 40 HG2 GLN 40 16.775 35.354 0.785 323 HG3 GLN 40 HG3 GLN 40 16.888 36.194 2.301 324 HE21 GLN 40 HE21 GLN 40 17.184 34.946 4.225 325 HE22 GLN 40 HE22 GLN 40 17.138 33.234 4.307 326 H GLN 41 H GLN 41 12.073 35.231 -0.161 327 HA GLN 41 HA GLN 41 10.502 37.114 1.498 328 HB2 GLN 41 HB2 GLN 41 10.116 35.884 -1.272 329 HB3 GLN 41 HB3 GLN 41 9.100 37.147 -0.470 330 HG2 GLN 41 HG2 GLN 41 11.009 38.667 -0.501 331 HG3 GLN 41 HG3 GLN 41 12.095 37.513 -1.278 332 HE21 GLN 41 HE21 GLN 41 12.456 38.779 -3.236 333 HE22 GLN 41 HE22 GLN 41 11.169 38.696 -4.433 334 H ARG 42 H ARG 42 9.095 36.297 2.757 335 HA ARG 42 HA ARG 42 7.219 34.313 1.759 336 HB2 ARG 42 HB2 ARG 42 7.966 34.705 4.624 337 HB3 ARG 42 HB3 ARG 42 6.409 33.784 4.224 338 HG2 ARG 42 HG2 ARG 42 9.300 33.028 3.628 339 HG3 ARG 42 HG3 ARG 42 8.178 32.303 4.732 340 HD2 ARG 42 HD2 ARG 42 6.730 31.469 2.832 341 HD3 ARG 42 HD3 ARG 42 7.831 32.338 1.661 342 HE ARG 42 HE ARG 42 8.360 29.879 3.305 343 HH11 ARG 42 HH11 ARG 42 9.905 32.166 0.979 344 HH12 ARG 42 HH12 ARG 42 11.164 31.033 0.771 345 HH21 ARG 42 HH21 ARG 42 9.892 28.591 2.751 346 HH22 ARG 42 HH22 ARG 42 11.162 29.043 1.625 347 H LEU 43 H LEU 43 5.097 35.094 1.378 348 HA LEU 43 HA LEU 43 4.340 37.710 2.413 349 HB2 LEU 43 HB2 LEU 43 3.343 35.818 0.338 350 HB3 LEU 43 HB3 LEU 43 2.427 37.326 0.611 351 HG LEU 43 HG LEU 43 5.178 36.997 -0.500 352 HD11 LEU 43 HD11 LEU 43 3.291 36.520 -1.921 353 HD12 LEU 43 HD12 LEU 43 4.321 37.842 -2.560 354 HD13 LEU 43 HD13 LEU 43 2.684 38.157 -1.927 355 HD21 LEU 43 HD21 LEU 43 3.702 39.587 0.389 356 HD22 LEU 43 HD22 LEU 43 5.181 39.697 -0.665 357 HD23 LEU 43 HD23 LEU 43 5.288 39.011 0.956 358 H ILE 44 H ILE 44 2.559 38.119 3.587 359 HA ILE 44 HA ILE 44 1.412 35.814 4.964 360 HB ILE 44 HB ILE 44 2.030 38.252 6.611 361 HG12 ILE 44 HG12 ILE 44 4.210 37.589 5.852 362 HG13 ILE 44 HG13 ILE 44 4.051 37.337 7.607 363 HG21 ILE 44 HG21 ILE 44 1.887 36.548 8.560 364 HG22 ILE 44 HG22 ILE 44 1.366 35.388 7.332 365 HG23 ILE 44 HG23 ILE 44 0.395 36.872 7.566 366 HD11 ILE 44 HD11 ILE 44 5.239 35.454 6.720 367 HD12 ILE 44 HD12 ILE 44 3.973 35.171 5.526 368 HD13 ILE 44 HD13 ILE 44 3.621 34.997 7.246 369 H PHE 45 H PHE 45 -0.720 35.945 4.876 370 HA PHE 45 HA PHE 45 -2.173 38.348 4.036 371 HB2 PHE 45 HB2 PHE 45 -1.938 36.890 2.171 372 HB3 PHE 45 HB3 PHE 45 -2.590 35.520 3.079 373 HD1 PHE 45 HD1 PHE 45 -4.204 35.145 1.330 374 HD2 PHE 45 HD2 PHE 45 -4.095 38.927 3.279 375 HE1 PHE 45 HE1 PHE 45 -6.564 35.543 0.504 376 HE2 PHE 45 HE2 PHE 45 -6.232 39.454 2.216 377 HZ PHE 45 HZ PHE 45 -7.434 37.718 0.730 378 H ALA 46 H ALA 46 -2.932 39.156 5.903 379 HA ALA 46 HA ALA 46 -3.439 39.133 8.007 380 HB1 ALA 46 HB1 ALA 46 -5.698 38.574 8.645 381 HB2 ALA 46 HB2 ALA 46 -5.902 37.596 7.146 382 HB3 ALA 46 HB3 ALA 46 -5.623 39.363 7.012 383 H GLY 47 H GLY 47 -1.499 37.193 7.978 384 HA2 GLY 47 HA2 GLY 47 -0.861 35.953 9.909 385 HA3 GLY 47 HA3 GLY 47 -2.446 35.347 10.049 386 H LYS 48 H LYS 48 -2.629 34.934 6.933 387 HA LYS 48 HA LYS 48 -1.626 32.236 7.178 388 HB2 LYS 48 HB2 LYS 48 -3.075 33.693 4.866 389 HB3 LYS 48 HB3 LYS 48 -2.617 32.006 4.915 390 HG2 LYS 48 HG2 LYS 48 -4.009 31.652 6.920 391 HG3 LYS 48 HG3 LYS 48 -4.667 33.329 6.924 392 HD2 LYS 48 HD2 LYS 48 -5.442 32.951 4.504 393 HD3 LYS 48 HD3 LYS 48 -5.324 31.140 4.951 394 HE2 LYS 48 HE2 LYS 48 -7.514 32.044 5.064 395 HE3 LYS 48 HE3 LYS 48 -7.015 31.592 6.720 396 HZ1 LYS 48 HZ1 LYS 48 -6.861 33.975 7.312 397 HZ2 LYS 48 HZ2 LYS 48 -8.322 33.801 6.572 398 HZ3 LYS 48 HZ3 LYS 48 -7.046 34.468 5.707 399 H GLN 49 H GLN 49 0.224 31.627 6.587 400 HA GLN 49 HA GLN 49 1.731 33.456 4.782 401 HB2 GLN 49 HB2 GLN 49 2.829 32.718 6.564 402 HB3 GLN 49 HB3 GLN 49 2.594 30.998 6.205 403 HG2 GLN 49 HG2 GLN 49 3.862 31.051 4.193 404 HG3 GLN 49 HG3 GLN 49 4.055 32.816 4.341 405 HE21 GLN 49 HE21 GLN 49 5.021 29.518 5.596 406 HE22 GLN 49 HE22 GLN 49 6.392 30.140 6.398 407 H LEU 50 H LEU 50 2.064 33.393 2.576 408 HA LEU 50 HA LEU 50 0.393 31.352 1.204 409 HB2 LEU 50 HB2 LEU 50 2.014 33.560 0.136 410 HB3 LEU 50 HB3 LEU 50 0.988 32.512 -0.880 411 HG LEU 50 HG LEU 50 0.325 34.533 1.256 412 HD11 LEU 50 HD11 LEU 50 0.837 35.288 -1.004 413 HD12 LEU 50 HD12 LEU 50 -0.991 35.486 -0.649 414 HD13 LEU 50 HD13 LEU 50 -0.307 34.174 -1.705 415 HD21 LEU 50 HD21 LEU 50 -1.477 33.013 1.809 416 HD22 LEU 50 HD22 LEU 50 -1.614 32.527 -0.001 417 HD23 LEU 50 HD23 LEU 50 -2.095 34.065 0.672 418 H GLU 51 H GLU 51 1.136 29.931 -0.579 419 HA GLU 51 HA GLU 51 3.949 29.098 -0.375 420 HB2 GLU 51 HB2 GLU 51 1.501 27.310 -0.977 421 HB3 GLU 51 HB3 GLU 51 3.182 26.744 -0.972 422 HG2 GLU 51 HG2 GLU 51 3.381 27.224 1.617 423 HG3 GLU 51 HG3 GLU 51 1.767 27.989 1.394 424 H ASP 52 H ASP 52 5.081 28.928 -2.263 425 HA ASP 52 HA ASP 52 4.803 31.079 -3.848 426 HB2 ASP 52 HB2 ASP 52 6.526 28.525 -4.365 427 HB3 ASP 52 HB3 ASP 52 6.677 29.990 -5.332 428 H GLY 53 H GLY 53 3.804 27.641 -4.826 429 HA2 GLY 53 HA2 GLY 53 3.751 28.490 -7.655 430 HA3 GLY 53 HA3 GLY 53 3.504 26.927 -6.941 431 H ARG 54 H ARG 54 1.314 28.803 -5.229 432 HA ARG 54 HA ARG 54 -1.012 28.085 -6.963 433 HB2 ARG 54 HB2 ARG 54 -1.074 29.147 -4.083 434 HB3 ARG 54 HB3 ARG 54 -2.496 28.656 -5.113 435 HG2 ARG 54 HG2 ARG 54 -0.152 26.727 -4.216 436 HG3 ARG 54 HG3 ARG 54 -1.631 27.018 -3.438 437 HD2 ARG 54 HD2 ARG 54 -3.035 26.355 -5.359 438 HD3 ARG 54 HD3 ARG 54 -1.571 25.832 -6.283 439 HE ARG 54 HE ARG 54 -1.674 24.791 -3.559 440 HH11 ARG 54 HH11 ARG 54 -3.344 24.247 -6.484 441 HH12 ARG 54 HH12 ARG 54 -3.220 22.548 -6.395 442 HH21 ARG 54 HH21 ARG 54 -1.844 22.536 -3.297 443 HH22 ARG 54 HH22 ARG 54 -3.009 21.820 -4.350 444 H THR 55 H THR 55 -2.798 29.579 -7.617 445 HA THR 55 HA THR 55 -1.626 32.111 -8.334 446 HB THR 55 HB THR 55 -3.514 32.367 -9.960 447 HG1 THR 55 HG1 THR 55 -4.719 30.237 -8.529 448 HG21 THR 55 HG21 THR 55 -1.905 31.001 -10.702 449 HG22 THR 55 HG22 THR 55 -3.443 30.441 -11.223 450 HG23 THR 55 HG23 THR 55 -2.523 29.412 -10.010 451 H LEU 56 H LEU 56 -2.669 34.144 -8.017 452 HA LEU 56 HA LEU 56 -3.636 34.659 -5.362 453 HB2 LEU 56 HB2 LEU 56 -4.230 36.075 -7.955 454 HB3 LEU 56 HB3 LEU 56 -4.554 36.789 -6.378 455 HG LEU 56 HG LEU 56 -1.650 36.067 -7.055 456 HD11 LEU 56 HD11 LEU 56 -2.558 36.849 -9.141 457 HD12 LEU 56 HD12 LEU 56 -1.411 37.979 -8.367 458 HD13 LEU 56 HD13 LEU 56 -3.099 38.397 -8.434 459 HD21 LEU 56 HD21 LEU 56 -3.143 38.324 -5.584 460 HD22 LEU 56 HD22 LEU 56 -1.467 38.442 -5.911 461 HD23 LEU 56 HD23 LEU 56 -2.069 37.154 -4.848 462 H SER 57 H SER 57 -5.551 33.851 -8.362 463 HA SER 57 HA SER 57 -8.071 34.106 -7.249 464 HB2 SER 57 HB2 SER 57 -7.756 33.740 -9.706 465 HB3 SER 57 HB3 SER 57 -7.116 32.165 -9.279 466 HG SER 57 HG SER 57 -9.237 31.432 -9.270 467 H ASP 58 H ASP 58 -5.693 31.460 -6.504 468 HA ASP 58 HA ASP 58 -7.720 29.588 -5.677 469 HB2 ASP 58 HB2 ASP 58 -4.630 29.455 -5.256 470 HB3 ASP 58 HB3 ASP 58 -5.749 28.115 -5.002 471 H TYR 59 H TYR 59 -5.931 32.112 -4.295 472 HA TYR 59 HA TYR 59 -6.772 31.414 -1.521 473 HB2 TYR 59 HB2 TYR 59 -5.139 33.829 -2.536 474 HB3 TYR 59 HB3 TYR 59 -5.398 33.411 -0.828 475 HD1 TYR 59 HD1 TYR 59 -3.351 32.746 -3.552 476 HD2 TYR 59 HD2 TYR 59 -4.679 31.188 0.200 477 HE1 TYR 59 HE1 TYR 59 -1.388 31.155 -3.462 478 HE2 TYR 59 HE2 TYR 59 -2.798 29.634 0.270 479 HH TYR 59 HH TYR 59 -1.101 28.914 -0.749 480 H ASN 60 H ASN 60 -8.461 32.842 -4.034 481 HA ASN 60 HA ASN 60 -9.239 34.641 -4.611 482 HB2 ASN 60 HB2 ASN 60 -10.858 34.566 -1.975 483 HB3 ASN 60 HB3 ASN 60 -11.316 35.371 -3.440 484 HD21 ASN 60 HD21 ASN 60 -11.952 32.633 -1.781 485 HD22 ASN 60 HD22 ASN 60 -12.078 31.460 -3.062 486 H ILE 61 H ILE 61 -6.998 35.482 -3.841 487 HA ILE 61 HA ILE 61 -7.215 37.990 -2.384 488 HB ILE 61 HB ILE 61 -5.029 37.078 -4.374 489 HG12 ILE 61 HG12 ILE 61 -5.124 37.253 -1.320 490 HG13 ILE 61 HG13 ILE 61 -5.371 35.744 -2.107 491 HG21 ILE 61 HG21 ILE 61 -5.191 39.565 -4.297 492 HG22 ILE 61 HG22 ILE 61 -3.725 39.065 -3.489 493 HG23 ILE 61 HG23 ILE 61 -5.167 39.450 -2.458 494 HD11 ILE 61 HD11 ILE 61 -2.793 37.208 -2.077 495 HD12 ILE 61 HD12 ILE 61 -3.166 35.781 -3.089 496 HD13 ILE 61 HD13 ILE 61 -3.066 35.624 -1.319 497 H GLN 62 H GLN 62 -8.046 39.606 -3.078 498 HA GLN 62 HA GLN 62 -8.973 40.076 -5.860 499 HB2 GLN 62 HB2 GLN 62 -10.171 41.052 -3.192 500 HB3 GLN 62 HB3 GLN 62 -10.698 41.251 -4.826 501 HG2 GLN 62 HG2 GLN 62 -10.751 38.461 -3.505 502 HG3 GLN 62 HG3 GLN 62 -12.114 39.677 -3.677 503 HE21 GLN 62 HE21 GLN 62 -11.661 40.568 -6.366 504 HE22 GLN 62 HE22 GLN 62 -12.020 39.161 -7.297 505 H LYS 63 H LYS 63 -9.413 42.436 -6.415 506 HA LYS 63 HA LYS 63 -7.027 43.842 -6.299 507 HB2 LYS 63 HB2 LYS 63 -8.066 45.621 -7.468 508 HB3 LYS 63 HB3 LYS 63 -8.794 44.082 -7.993 509 HG2 LYS 63 HG2 LYS 63 -10.807 44.993 -7.769 510 HG3 LYS 63 HG3 LYS 63 -10.618 44.571 -6.102 511 HD2 LYS 63 HD2 LYS 63 -11.612 46.668 -6.144 512 HD3 LYS 63 HD3 LYS 63 -9.905 46.956 -5.567 513 HE2 LYS 63 HE2 LYS 63 -9.321 48.014 -7.374 514 HE3 LYS 63 HE3 LYS 63 -10.648 47.524 -8.433 515 HZ1 LYS 63 HZ1 LYS 63 -10.819 49.820 -7.630 516 HZ2 LYS 63 HZ2 LYS 63 -10.555 49.360 -6.053 517 HZ3 LYS 63 HZ3 LYS 63 -12.015 48.984 -6.745 518 H GLU 64 H GLU 64 -6.305 45.475 -5.464 519 HA GLU 64 HA GLU 64 -5.569 47.010 -4.037 520 HB2 GLU 64 HB2 GLU 64 -8.571 47.420 -3.528 521 HB3 GLU 64 HB3 GLU 64 -7.352 48.452 -2.852 522 HG2 GLU 64 HG2 GLU 64 -6.365 48.991 -5.007 523 HG3 GLU 64 HG3 GLU 64 -7.648 48.244 -5.969 524 H SER 65 H SER 65 -6.187 44.184 -3.005 525 HA SER 65 HA SER 65 -6.404 44.409 -0.186 526 HB2 SER 65 HB2 SER 65 -6.873 42.328 -1.790 527 HB3 SER 65 HB3 SER 65 -5.201 41.955 -1.721 528 HG SER 65 HG SER 65 -6.915 41.684 0.286 529 H THR 66 H THR 66 -4.739 43.482 1.281 530 HA THR 66 HA THR 66 -2.095 44.859 1.003 531 HB THR 66 HB THR 66 -3.868 44.915 3.412 532 HG1 THR 66 HG1 THR 66 -4.862 46.051 2.008 533 HG21 THR 66 HG21 THR 66 -2.282 46.770 4.059 534 HG22 THR 66 HG22 THR 66 -1.301 46.421 2.539 535 HG23 THR 66 HG23 THR 66 -1.471 45.181 3.828 536 H LEU 67 H LEU 67 -0.569 43.377 0.993 537 HA LEU 67 HA LEU 67 -0.702 41.041 2.795 538 HB2 LEU 67 HB2 LEU 67 1.108 41.207 0.482 539 HB3 LEU 67 HB3 LEU 67 0.829 39.746 1.509 540 HG LEU 67 HG LEU 67 -1.058 41.270 -0.481 541 HD11 LEU 67 HD11 LEU 67 -0.804 39.063 -1.761 542 HD12 LEU 67 HD12 LEU 67 0.342 38.562 -0.444 543 HD13 LEU 67 HD13 LEU 67 0.747 39.986 -1.416 544 HD21 LEU 67 HD21 LEU 67 -2.502 40.357 1.347 545 HD22 LEU 67 HD22 LEU 67 -1.605 38.812 1.230 546 HD23 LEU 67 HD23 LEU 67 -2.728 39.306 -0.050 547 H HIS 68 H HIS 68 1.256 40.571 4.104 548 HA HIS 68 HA HIS 68 3.169 42.910 4.248 549 HB2 HIS 68 HB2 HIS 68 2.444 40.738 6.359 550 HB3 HIS 68 HB3 HIS 68 3.607 41.967 6.724 551 HD1 HIS 68 HD1 HIS 68 -0.069 41.852 6.004 552 HD2 HIS 68 HD2 HIS 68 2.651 44.334 7.716 553 HE1 HIS 68 HE1 HIS 68 -1.350 43.909 6.677 554 H LEU 69 H LEU 69 5.111 42.466 3.936 555 HA LEU 69 HA LEU 69 5.862 39.828 3.013 556 HB2 LEU 69 HB2 LEU 69 6.377 41.631 1.614 557 HB3 LEU 69 HB3 LEU 69 7.293 42.526 2.869 558 HG LEU 69 HG LEU 69 9.184 41.064 2.536 559 HD11 LEU 69 HD11 LEU 69 8.039 38.899 2.202 560 HD12 LEU 69 HD12 LEU 69 9.333 39.162 0.959 561 HD13 LEU 69 HD13 LEU 69 7.561 39.324 0.603 562 HD21 LEU 69 HD21 LEU 69 8.022 41.793 -0.110 563 HD22 LEU 69 HD22 LEU 69 9.729 41.439 0.252 564 HD23 LEU 69 HD23 LEU 69 8.936 42.919 0.981 565 H VAL 70 H VAL 70 6.632 38.440 4.645 566 HA VAL 70 HA VAL 70 8.387 39.545 6.766 567 HB VAL 70 HB VAL 70 6.368 37.300 6.668 568 HG11 VAL 70 HG11 VAL 70 8.730 37.190 8.690 569 HG12 VAL 70 HG12 VAL 70 8.509 36.123 7.388 570 HG13 VAL 70 HG13 VAL 70 7.301 36.242 8.736 571 HG21 VAL 70 HG21 VAL 70 6.974 39.626 8.609 572 HG22 VAL 70 HG22 VAL 70 5.881 38.239 8.888 573 HG23 VAL 70 HG23 VAL 70 5.495 39.340 7.580 574 H LEU 71 H LEU 71 10.414 38.689 6.993 575 HA LEU 71 HA LEU 71 11.294 37.439 4.529 576 HB2 LEU 71 HB2 LEU 71 12.674 39.536 6.389 577 HB3 LEU 71 HB3 LEU 71 13.506 38.794 5.019 578 HG LEU 71 HG LEU 71 10.899 40.319 5.024 579 HD11 LEU 71 HD11 LEU 71 11.962 42.083 3.931 580 HD12 LEU 71 HD12 LEU 71 13.481 41.187 3.756 581 HD13 LEU 71 HD13 LEU 71 12.933 41.770 5.411 582 HD21 LEU 71 HD21 LEU 71 10.587 39.075 3.063 583 HD22 LEU 71 HD22 LEU 71 12.365 39.084 2.599 584 HD23 LEU 71 HD23 LEU 71 11.332 40.555 2.394 585 H ARG 72 H ARG 72 12.401 35.489 4.720 586 HA ARG 72 HA ARG 72 12.795 34.215 7.186 587 HB2 ARG 72 HB2 ARG 72 14.031 33.675 4.487 588 HB3 ARG 72 HB3 ARG 72 14.164 32.545 5.830 589 HG2 ARG 72 HG2 ARG 72 11.723 33.445 4.141 590 HG3 ARG 72 HG3 ARG 72 12.421 31.882 4.177 591 HD2 ARG 72 HD2 ARG 72 10.665 32.996 6.280 592 HD3 ARG 72 HD3 ARG 72 10.347 31.546 5.313 593 HE ARG 72 HE ARG 72 12.797 30.945 6.546 594 HH11 ARG 72 HH11 ARG 72 9.664 32.101 7.731 595 HH12 ARG 72 HH12 ARG 72 9.979 31.601 9.370 596 HH21 ARG 72 HH21 ARG 72 12.994 30.098 8.811 597 HH22 ARG 72 HH22 ARG 72 11.655 30.418 9.812 598 H LEU 73 H LEU 73 14.164 34.097 8.582 599 HA LEU 73 HA LEU 73 16.949 34.934 8.400 600 HB2 LEU 73 HB2 LEU 73 15.267 33.815 10.767 601 HB3 LEU 73 HB3 LEU 73 16.944 34.161 10.810 602 HG LEU 73 HG LEU 73 14.957 36.406 10.331 603 HD11 LEU 73 HD11 LEU 73 14.664 35.583 12.600 604 HD12 LEU 73 HD12 LEU 73 15.621 37.109 12.653 605 HD13 LEU 73 HD13 LEU 73 16.458 35.530 12.820 606 HD21 LEU 73 HD21 LEU 73 17.801 36.905 11.063 607 HD22 LEU 73 HD22 LEU 73 16.540 37.929 10.496 608 HD23 LEU 73 HD23 LEU 73 17.267 36.766 9.308 609 H ARG 74 H ARG 74 18.607 33.698 7.982 610 HA ARG 74 HA ARG 74 18.701 31.122 7.086 611 HB2 ARG 74 HB2 ARG 74 20.744 32.815 8.519 612 HB3 ARG 74 HB3 ARG 74 21.159 31.176 7.882 613 HG2 ARG 74 HG2 ARG 74 20.464 31.805 5.729 614 HG3 ARG 74 HG3 ARG 74 20.239 33.477 6.073 615 HD2 ARG 74 HD2 ARG 74 22.887 33.624 6.474 616 HD3 ARG 74 HD3 ARG 74 22.923 31.913 6.415 617 HE ARG 74 HE ARG 74 21.734 32.640 3.913 618 HH11 ARG 74 HH11 ARG 74 24.976 32.885 5.401 619 HH12 ARG 74 HH12 ARG 74 25.617 33.167 3.754 620 HH21 ARG 74 HH21 ARG 74 22.743 32.775 2.150 621 HH22 ARG 74 HH22 ARG 74 24.454 33.054 2.022 622 H GLY 75 H GLY 75 18.862 29.048 7.698 623 HA2 GLY 75 HA2 GLY 75 18.306 28.228 10.320 624 HA3 GLY 75 HA3 GLY 75 18.922 27.193 9.056 625 H GLY 76 H GLY 76 19.864 26.388 11.431 626 HA2 GLY 76 HA2 GLY 76 22.405 27.777 11.619 627 HA3 GLY 76 HA3 GLY 76 21.465 26.896 12.904 Start of MODEL 18 1 H MET 1 HT1 MET 1 -4.372 42.794 -11.716 2 HA MET 1 HA MET 1 -5.301 45.619 -11.494 3 HB2 MET 1 HB2 MET 1 -7.187 45.193 -10.168 4 HB3 MET 1 HB3 MET 1 -7.127 43.709 -11.072 5 HG2 MET 1 HG2 MET 1 -6.306 44.191 -8.213 6 HG3 MET 1 HG3 MET 1 -7.740 43.379 -8.721 7 HE1 MET 1 HE1 MET 1 -5.307 41.149 -6.820 8 HE2 MET 1 HE2 MET 1 -7.004 41.714 -7.128 9 HE3 MET 1 HE3 MET 1 -5.775 42.847 -6.772 10 H GLN 2 H GLN 2 -5.015 46.724 -9.294 11 HA GLN 2 HA GLN 2 -2.260 46.180 -8.640 12 HB2 GLN 2 HB2 GLN 2 -3.874 48.529 -7.629 13 HB3 GLN 2 HB3 GLN 2 -2.161 48.166 -7.566 14 HG2 GLN 2 HG2 GLN 2 -1.922 48.264 -10.093 15 HG3 GLN 2 HG3 GLN 2 -3.601 48.797 -10.125 16 HE21 GLN 2 HE21 GLN 2 -0.847 50.131 -10.576 17 HE22 GLN 2 HE22 GLN 2 -1.032 51.721 -9.900 18 H ILE 3 H ILE 3 -1.515 45.323 -6.608 19 HA ILE 3 HA ILE 3 -3.332 44.959 -4.343 20 HB ILE 3 HB ILE 3 -2.270 42.869 -3.713 21 HG12 ILE 3 HG12 ILE 3 -1.389 41.686 -5.993 22 HG13 ILE 3 HG13 ILE 3 -0.812 43.291 -6.411 23 HG21 ILE 3 HG21 ILE 3 -3.990 43.152 -6.191 24 HG22 ILE 3 HG22 ILE 3 -4.375 42.886 -4.485 25 HG23 ILE 3 HG23 ILE 3 -3.588 41.537 -5.499 26 HD11 ILE 3 HD11 ILE 3 0.989 41.984 -5.346 27 HD12 ILE 3 HD12 ILE 3 0.029 41.760 -3.828 28 HD13 ILE 3 HD13 ILE 3 0.534 43.368 -4.317 29 H PHE 4 H PHE 4 -1.925 44.895 -2.219 30 HA PHE 4 HA PHE 4 0.459 46.570 -2.617 31 HB2 PHE 4 HB2 PHE 4 -1.522 46.229 -0.352 32 HB3 PHE 4 HB3 PHE 4 -0.170 47.293 -0.270 33 HD1 PHE 4 HD1 PHE 4 0.222 49.000 -2.348 34 HD2 PHE 4 HD2 PHE 4 -3.597 47.588 -1.053 35 HE1 PHE 4 HE1 PHE 4 -0.823 50.977 -3.238 36 HE2 PHE 4 HE2 PHE 4 -4.698 49.636 -1.993 37 HZ PHE 4 HZ PHE 4 -3.139 51.337 -3.147 38 H VAL 5 H VAL 5 2.234 46.172 -1.183 39 HA VAL 5 HA VAL 5 2.110 43.751 0.339 40 HB VAL 5 HB VAL 5 4.633 44.126 -1.291 41 HG11 VAL 5 HG11 VAL 5 3.363 41.848 0.185 42 HG12 VAL 5 HG12 VAL 5 4.816 42.804 0.661 43 HG13 VAL 5 HG13 VAL 5 4.916 41.721 -0.708 44 HG21 VAL 5 HG21 VAL 5 3.080 43.935 -2.984 45 HG22 VAL 5 HG22 VAL 5 2.086 42.715 -2.142 46 HG23 VAL 5 HG23 VAL 5 3.741 42.344 -2.803 47 H LYS 6 H LYS 6 2.763 44.067 2.409 48 HA LYS 6 HA LYS 6 4.228 46.569 2.788 49 HB2 LYS 6 HB2 LYS 6 2.510 44.859 4.579 50 HB3 LYS 6 HB3 LYS 6 3.637 46.145 5.207 51 HG2 LYS 6 HG2 LYS 6 2.330 47.754 3.624 52 HG3 LYS 6 HG3 LYS 6 1.137 46.500 3.470 53 HD2 LYS 6 HD2 LYS 6 1.010 46.311 5.960 54 HD3 LYS 6 HD3 LYS 6 2.046 47.600 6.256 55 HE2 LYS 6 HE2 LYS 6 -0.741 47.606 5.000 56 HE3 LYS 6 HE3 LYS 6 -0.055 48.652 6.361 57 HZ1 LYS 6 HZ1 LYS 6 -0.280 49.195 3.659 58 HZ2 LYS 6 HZ2 LYS 6 1.378 49.354 4.235 59 HZ3 LYS 6 HZ3 LYS 6 0.129 50.241 4.803 60 H THR 7 H THR 7 6.325 46.605 3.535 61 HA THR 7 HA THR 7 7.722 44.138 4.291 62 HB THR 7 HB THR 7 9.777 45.204 4.035 63 HG1 THR 7 HG1 THR 7 9.864 47.197 4.250 64 HG21 THR 7 HG21 THR 7 8.734 44.633 1.778 65 HG22 THR 7 HG22 THR 7 9.561 46.107 1.583 66 HG23 THR 7 HG23 THR 7 7.812 46.123 1.799 67 H LEU 8 H LEU 8 9.208 44.094 6.074 68 HA LEU 8 HA LEU 8 7.921 44.815 8.491 69 HB2 LEU 8 HB2 LEU 8 10.618 43.823 7.520 70 HB3 LEU 8 HB3 LEU 8 10.422 44.132 9.296 71 HG LEU 8 HG LEU 8 8.980 41.956 7.602 72 HD11 LEU 8 HD11 LEU 8 11.214 41.356 7.944 73 HD12 LEU 8 HD12 LEU 8 10.257 40.440 9.145 74 HD13 LEU 8 HD13 LEU 8 11.244 41.799 9.728 75 HD21 LEU 8 HD21 LEU 8 7.646 42.904 9.675 76 HD22 LEU 8 HD22 LEU 8 8.992 42.151 10.575 77 HD23 LEU 8 HD23 LEU 8 8.005 41.103 9.554 78 H THR 9 H THR 9 10.656 46.109 6.624 79 HA THR 9 HA THR 9 11.476 48.126 8.357 80 HB THR 9 HB THR 9 12.080 49.385 6.182 81 HG1 THR 9 HG1 THR 9 12.167 47.760 4.477 82 HG21 THR 9 HG21 THR 9 13.472 47.903 7.774 83 HG22 THR 9 HG22 THR 9 14.084 48.097 6.188 84 HG23 THR 9 HG23 THR 9 13.296 46.580 6.645 85 H GLY 10 H GLY 10 8.646 48.137 6.356 86 HA2 GLY 10 HA2 GLY 10 6.796 49.598 7.044 87 HA3 GLY 10 HA3 GLY 10 8.058 50.916 7.275 88 H LYS 11 H LYS 11 8.003 48.899 4.462 89 HA LYS 11 HA LYS 11 7.336 51.414 2.966 90 HB2 LYS 11 HB2 LYS 11 8.723 48.930 2.048 91 HB3 LYS 11 HB3 LYS 11 8.485 50.422 1.107 92 HG2 LYS 11 HG2 LYS 11 9.881 51.478 3.008 93 HG3 LYS 11 HG3 LYS 11 10.140 49.865 3.542 94 HD2 LYS 11 HD2 LYS 11 11.023 49.308 1.250 95 HD3 LYS 11 HD3 LYS 11 10.662 50.818 0.647 96 HE2 LYS 11 HE2 LYS 11 12.937 50.206 2.711 97 HE3 LYS 11 HE3 LYS 11 13.000 50.561 0.904 98 HZ1 LYS 11 HZ1 LYS 11 12.084 52.883 1.530 99 HZ2 LYS 11 HZ2 LYS 11 13.587 52.310 2.020 100 HZ3 LYS 11 HZ3 LYS 11 12.298 52.358 3.136 101 H THR 12 H THR 12 5.649 51.235 1.555 102 HA THR 12 HA THR 12 4.310 48.547 1.124 103 HB THR 12 HB THR 12 2.800 51.125 0.688 104 HG1 THR 12 HG1 THR 12 2.068 51.008 2.553 105 HG21 THR 12 HG21 THR 12 1.890 49.211 -0.495 106 HG22 THR 12 HG22 THR 12 0.895 49.408 0.949 107 HG23 THR 12 HG23 THR 12 2.078 48.092 0.925 108 H ILE 13 H ILE 13 4.792 47.497 -0.658 109 HA ILE 13 HA ILE 13 5.656 48.917 -3.096 110 HB ILE 13 HB ILE 13 5.218 46.220 -2.370 111 HG12 ILE 13 HG12 ILE 13 7.936 47.540 -2.683 112 HG13 ILE 13 HG13 ILE 13 7.061 47.326 -1.109 113 HG21 ILE 13 HG21 ILE 13 6.265 45.571 -4.638 114 HG22 ILE 13 HG22 ILE 13 6.586 47.258 -4.866 115 HG23 ILE 13 HG23 ILE 13 4.931 46.653 -4.925 116 HD11 ILE 13 HD11 ILE 13 8.157 45.128 -2.765 117 HD12 ILE 13 HD12 ILE 13 6.690 44.837 -1.780 118 HD13 ILE 13 HD13 ILE 13 8.249 45.371 -1.024 119 H THR 14 H THR 14 4.186 49.111 -4.965 120 HA THR 14 HA THR 14 1.452 48.217 -4.637 121 HB THR 14 HB THR 14 2.176 50.641 -6.426 122 HG1 THR 14 HG1 THR 14 2.588 51.136 -4.347 123 HG21 THR 14 HG21 THR 14 -0.447 49.349 -5.306 124 HG22 THR 14 HG22 THR 14 0.142 49.521 -7.045 125 HG23 THR 14 HG23 THR 14 -0.439 50.856 -6.110 126 H LEU 15 H LEU 15 1.224 46.419 -5.905 127 HA LEU 15 HA LEU 15 3.252 45.930 -7.967 128 HB2 LEU 15 HB2 LEU 15 3.441 44.710 -5.740 129 HB3 LEU 15 HB3 LEU 15 1.870 43.949 -6.166 130 HG LEU 15 HG LEU 15 3.186 43.139 -8.210 131 HD11 LEU 15 HD11 LEU 15 5.614 43.930 -6.553 132 HD12 LEU 15 HD12 LEU 15 5.116 44.849 -7.932 133 HD13 LEU 15 HD13 LEU 15 5.617 43.146 -8.147 134 HD21 LEU 15 HD21 LEU 15 4.427 41.236 -6.769 135 HD22 LEU 15 HD22 LEU 15 2.669 41.520 -6.730 136 HD23 LEU 15 HD23 LEU 15 3.780 42.213 -5.445 137 H GLU 16 H GLU 16 2.306 45.478 -9.793 138 HA GLU 16 HA GLU 16 -0.663 45.331 -10.004 139 HB2 GLU 16 HB2 GLU 16 0.075 47.254 -11.193 140 HB3 GLU 16 HB3 GLU 16 1.318 46.293 -12.005 141 HG2 GLU 16 HG2 GLU 16 -0.163 46.699 -13.773 142 HG3 GLU 16 HG3 GLU 16 -0.342 44.945 -13.294 143 H VAL 17 H VAL 17 -1.616 43.361 -10.740 144 HA VAL 17 HA VAL 17 0.195 41.224 -11.839 145 HB VAL 17 HB VAL 17 -0.842 39.653 -10.069 146 HG11 VAL 17 HG11 VAL 17 0.766 42.013 -8.851 147 HG12 VAL 17 HG12 VAL 17 1.401 40.417 -9.186 148 HG13 VAL 17 HG13 VAL 17 0.177 40.598 -7.983 149 HG21 VAL 17 HG21 VAL 17 -2.004 40.692 -8.074 150 HG22 VAL 17 HG22 VAL 17 -2.977 40.902 -9.563 151 HG23 VAL 17 HG23 VAL 17 -1.946 42.271 -8.901 152 H GLU 18 H GLU 18 -0.818 39.430 -12.303 153 HA GLU 18 HA GLU 18 -3.394 40.014 -13.606 154 HB2 GLU 18 HB2 GLU 18 -1.524 37.729 -13.992 155 HB3 GLU 18 HB3 GLU 18 -3.078 37.800 -14.833 156 HG2 GLU 18 HG2 GLU 18 -2.566 39.673 -16.121 157 HG3 GLU 18 HG3 GLU 18 -1.074 40.060 -15.253 158 HA PRO 19 HA PRO 19 -4.953 37.675 -9.994 159 HB2 PRO 19 HB2 PRO 19 -7.158 36.578 -11.810 160 HB3 PRO 19 HB3 PRO 19 -7.321 37.383 -10.174 161 HG2 PRO 19 HG2 PRO 19 -7.904 38.746 -12.556 162 HG3 PRO 19 HG3 PRO 19 -7.060 39.617 -11.233 163 HD2 PRO 19 HD2 PRO 19 -5.941 38.300 -13.712 164 HD3 PRO 19 HD3 PRO 19 -5.515 39.934 -12.958 165 H SER 20 H SER 20 -4.442 36.125 -12.911 166 HA SER 20 HA SER 20 -4.316 33.459 -11.676 167 HB2 SER 20 HB2 SER 20 -3.921 32.509 -14.009 168 HB3 SER 20 HB3 SER 20 -5.389 33.504 -13.795 169 HG SER 20 HG SER 20 -3.010 34.467 -14.921 170 H ASP 21 H ASP 21 -2.289 35.738 -11.393 171 HA ASP 21 HA ASP 21 0.135 34.325 -11.901 172 HB2 ASP 21 HB2 ASP 21 -0.642 36.804 -10.301 173 HB3 ASP 21 HB3 ASP 21 0.963 36.261 -10.214 174 H THR 22 H THR 22 1.525 33.438 -10.550 175 HA THR 22 HA THR 22 0.392 31.893 -8.346 176 HB THR 22 HB THR 22 2.312 30.398 -8.211 177 HG1 THR 22 HG1 THR 22 3.495 31.887 -10.316 178 HG21 THR 22 HG21 THR 22 2.224 29.486 -10.797 179 HG22 THR 22 HG22 THR 22 1.362 30.972 -11.055 180 HG23 THR 22 HG23 THR 22 0.686 29.733 -9.979 181 H ILE 23 H ILE 23 1.701 31.768 -6.193 182 HA ILE 23 HA ILE 23 2.588 34.349 -5.249 183 HB ILE 23 HB ILE 23 2.810 31.623 -4.030 184 HG12 ILE 23 HG12 ILE 23 0.510 32.273 -4.484 185 HG13 ILE 23 HG13 ILE 23 0.869 32.136 -2.815 186 HG21 ILE 23 HG21 ILE 23 3.398 34.456 -3.144 187 HG22 ILE 23 HG22 ILE 23 4.523 33.109 -3.033 188 HG23 ILE 23 HG23 ILE 23 3.087 33.225 -1.882 189 HD11 ILE 23 HD11 ILE 23 1.217 34.841 -2.899 190 HD12 ILE 23 HD12 ILE 23 -0.440 34.003 -2.964 191 HD13 ILE 23 HD13 ILE 23 0.318 34.581 -4.453 192 H GLU 24 H GLU 24 4.348 31.512 -6.588 193 HA GLU 24 HA GLU 24 6.863 32.602 -6.114 194 HB2 GLU 24 HB2 GLU 24 5.691 30.988 -8.468 195 HB3 GLU 24 HB3 GLU 24 7.455 31.195 -8.250 196 HG2 GLU 24 HG2 GLU 24 5.731 29.893 -6.105 197 HG3 GLU 24 HG3 GLU 24 6.414 29.133 -7.528 198 H ASN 25 H ASN 25 4.562 33.519 -8.719 199 HA ASN 25 HA ASN 25 6.401 35.033 -10.492 200 HB2 ASN 25 HB2 ASN 25 3.287 34.898 -10.334 201 HB3 ASN 25 HB3 ASN 25 4.041 35.893 -11.512 202 HD21 ASN 25 HD21 ASN 25 5.798 34.583 -12.790 203 HD22 ASN 25 HD22 ASN 25 5.491 32.894 -13.085 204 H VAL 26 H VAL 26 4.221 35.655 -8.037 205 HA VAL 26 HA VAL 26 4.213 38.470 -7.923 206 HB VAL 26 HB VAL 26 3.626 36.430 -5.748 207 HG11 VAL 26 HG11 VAL 26 2.345 38.362 -4.728 208 HG12 VAL 26 HG12 VAL 26 3.413 39.411 -5.822 209 HG13 VAL 26 HG13 VAL 26 4.106 38.193 -4.607 210 HG21 VAL 26 HG21 VAL 26 2.070 36.766 -8.079 211 HG22 VAL 26 HG22 VAL 26 1.405 38.065 -7.132 212 HG23 VAL 26 HG23 VAL 26 1.390 36.441 -6.462 213 H LYS 27 H LYS 27 6.366 36.156 -6.442 214 HA LYS 27 HA LYS 27 7.993 37.862 -4.853 215 HB2 LYS 27 HB2 LYS 27 8.705 35.079 -6.112 216 HB3 LYS 27 HB3 LYS 27 9.720 35.982 -5.038 217 HG2 LYS 27 HG2 LYS 27 8.090 36.043 -3.285 218 HG3 LYS 27 HG3 LYS 27 6.899 35.035 -4.189 219 HD2 LYS 27 HD2 LYS 27 9.070 33.524 -4.598 220 HD3 LYS 27 HD3 LYS 27 9.586 34.274 -3.034 221 HE2 LYS 27 HE2 LYS 27 7.429 33.446 -1.969 222 HE3 LYS 27 HE3 LYS 27 6.859 32.809 -3.559 223 HZ1 LYS 27 HZ1 LYS 27 8.389 31.179 -3.625 224 HZ2 LYS 27 HZ2 LYS 27 7.518 31.131 -2.219 225 HZ3 LYS 27 HZ3 LYS 27 9.070 31.711 -2.093 226 H ALA 28 H ALA 28 8.144 36.815 -8.260 227 HA ALA 28 HA ALA 28 10.762 37.798 -8.359 228 HB1 ALA 28 HB1 ALA 28 8.853 36.643 -10.535 229 HB2 ALA 28 HB2 ALA 28 10.234 35.914 -9.649 230 HB3 ALA 28 HB3 ALA 28 10.562 37.198 -10.877 231 H LYS 29 H LYS 29 7.617 39.180 -9.110 232 HA LYS 29 HA LYS 29 8.561 41.576 -10.394 233 HB2 LYS 29 HB2 LYS 29 5.846 40.677 -9.303 234 HB3 LYS 29 HB3 LYS 29 6.049 42.240 -10.046 235 HG2 LYS 29 HG2 LYS 29 6.475 39.526 -11.370 236 HG3 LYS 29 HG3 LYS 29 5.118 40.623 -11.535 237 HD2 LYS 29 HD2 LYS 29 6.891 42.288 -12.522 238 HD3 LYS 29 HD3 LYS 29 8.025 40.962 -12.400 239 HE2 LYS 29 HE2 LYS 29 7.381 41.123 -14.591 240 HE3 LYS 29 HE3 LYS 29 6.909 39.577 -13.865 241 HZ1 LYS 29 HZ1 LYS 29 5.220 41.737 -14.949 242 HZ2 LYS 29 HZ2 LYS 29 4.615 41.011 -13.569 243 HZ3 LYS 29 HZ3 LYS 29 4.995 40.068 -14.840 244 H ILE 30 H ILE 30 7.721 40.738 -6.998 245 HA ILE 30 HA ILE 30 8.405 43.230 -5.864 246 HB ILE 30 HB ILE 30 8.492 40.415 -4.855 247 HG12 ILE 30 HG12 ILE 30 6.325 42.579 -4.357 248 HG13 ILE 30 HG13 ILE 30 6.355 41.242 -5.455 249 HG21 ILE 30 HG21 ILE 30 8.926 42.922 -3.092 250 HG22 ILE 30 HG22 ILE 30 10.069 41.569 -3.512 251 HG23 ILE 30 HG23 ILE 30 8.556 41.272 -2.589 252 HD11 ILE 30 HD11 ILE 30 6.505 40.923 -2.492 253 HD12 ILE 30 HD12 ILE 30 6.676 39.587 -3.710 254 HD13 ILE 30 HD13 ILE 30 5.126 40.542 -3.474 255 H GLN 31 H GLN 31 10.470 40.627 -7.051 256 HA GLN 31 HA GLN 31 12.801 41.513 -5.883 257 HB2 GLN 31 HB2 GLN 31 12.819 39.441 -6.458 258 HB3 GLN 31 HB3 GLN 31 12.221 39.582 -8.080 259 HG2 GLN 31 HG2 GLN 31 14.484 40.886 -8.725 260 HG3 GLN 31 HG3 GLN 31 14.998 40.479 -7.078 261 HE21 GLN 31 HE21 GLN 31 16.777 39.264 -8.163 262 HE22 GLN 31 HE22 GLN 31 16.496 37.668 -8.640 263 H ASP 32 H ASP 32 11.553 42.212 -9.095 264 HA ASP 32 HA ASP 32 13.341 44.010 -9.996 265 HB2 ASP 32 HB2 ASP 32 10.235 43.752 -10.640 266 HB3 ASP 32 HB3 ASP 32 11.260 44.898 -11.502 267 H LYS 33 H LYS 33 10.349 44.705 -8.183 268 HA LYS 33 HA LYS 33 10.677 47.396 -7.896 269 HB2 LYS 33 HB2 LYS 33 9.330 45.503 -5.991 270 HB3 LYS 33 HB3 LYS 33 9.173 47.238 -5.917 271 HG2 LYS 33 HG2 LYS 33 8.151 45.617 -8.360 272 HG3 LYS 33 HG3 LYS 33 7.120 46.320 -7.140 273 HD2 LYS 33 HD2 LYS 33 8.262 48.557 -7.690 274 HD3 LYS 33 HD3 LYS 33 8.864 47.705 -9.178 275 HE2 LYS 33 HE2 LYS 33 6.418 47.149 -9.712 276 HE3 LYS 33 HE3 LYS 33 5.981 48.241 -8.418 277 HZ1 LYS 33 HZ1 LYS 33 6.194 49.355 -10.501 278 HZ2 LYS 33 HZ2 LYS 33 7.854 49.001 -10.567 279 HZ3 LYS 33 HZ3 LYS 33 7.203 50.010 -9.308 280 H GLU 34 H GLU 34 12.045 44.975 -5.599 281 HA GLU 34 HA GLU 34 13.134 47.235 -3.939 282 HB2 GLU 34 HB2 GLU 34 12.002 44.533 -3.197 283 HB3 GLU 34 HB3 GLU 34 12.899 45.570 -2.058 284 HG2 GLU 34 HG2 GLU 34 10.227 46.350 -3.437 285 HG3 GLU 34 HG3 GLU 34 10.451 45.885 -1.710 286 H GLY 35 H GLY 35 14.006 44.407 -5.823 287 HA2 GLY 35 HA2 GLY 35 15.902 43.244 -5.878 288 HA3 GLY 35 HA3 GLY 35 16.748 44.571 -5.003 289 H ILE 36 H ILE 36 14.235 41.862 -4.239 290 HA ILE 36 HA ILE 36 16.030 41.124 -2.123 291 HB ILE 36 HB ILE 36 12.974 41.025 -2.224 292 HG12 ILE 36 HG12 ILE 36 14.666 42.438 -0.135 293 HG13 ILE 36 HG13 ILE 36 14.081 43.178 -1.685 294 HG21 ILE 36 HG21 ILE 36 14.115 38.943 -0.971 295 HG22 ILE 36 HG22 ILE 36 12.944 40.021 -0.040 296 HG23 ILE 36 HG23 ILE 36 14.794 40.178 0.130 297 HD11 ILE 36 HD11 ILE 36 12.549 43.825 0.075 298 HD12 ILE 36 HD12 ILE 36 12.417 42.129 0.747 299 HD13 ILE 36 HD13 ILE 36 11.666 42.640 -0.845 300 HA PRO 37 HA PRO 37 16.031 37.711 -4.865 301 HB2 PRO 37 HB2 PRO 37 17.313 35.631 -3.283 302 HB3 PRO 37 HB3 PRO 37 18.092 36.891 -4.388 303 HG2 PRO 37 HG2 PRO 37 17.506 36.954 -1.445 304 HG3 PRO 37 HG3 PRO 37 18.933 37.560 -2.350 305 HD2 PRO 37 HD2 PRO 37 17.140 39.398 -1.580 306 HD3 PRO 37 HD3 PRO 37 17.955 39.470 -3.191 307 HA PRO 38 HA PRO 38 12.137 35.249 -4.259 308 HB2 PRO 38 HB2 PRO 38 14.211 33.074 -5.157 309 HB3 PRO 38 HB3 PRO 38 12.428 33.173 -5.708 310 HG2 PRO 38 HG2 PRO 38 14.451 34.081 -7.223 311 HG3 PRO 38 HG3 PRO 38 12.959 35.003 -7.208 312 HD2 PRO 38 HD2 PRO 38 15.366 36.170 -6.235 313 HD3 PRO 38 HD3 PRO 38 13.682 36.812 -6.151 314 H ASP 39 H ASP 39 15.069 33.594 -3.076 315 HA ASP 39 HA ASP 39 13.435 32.116 -1.357 316 HB2 ASP 39 HB2 ASP 39 15.524 30.969 -0.575 317 HB3 ASP 39 HB3 ASP 39 15.130 30.918 -2.355 318 H GLN 40 H GLN 40 14.917 35.311 -0.901 319 HA GLN 40 HA GLN 40 15.086 34.976 1.882 320 HB2 GLN 40 HB2 GLN 40 15.385 37.185 -0.146 321 HB3 GLN 40 HB3 GLN 40 15.024 37.667 1.456 322 HG2 GLN 40 HG2 GLN 40 17.623 36.129 0.556 323 HG3 GLN 40 HG3 GLN 40 17.492 37.747 1.214 324 HE21 GLN 40 HE21 GLN 40 16.748 38.060 3.653 325 HE22 GLN 40 HE22 GLN 40 16.661 36.720 4.675 326 H GLN 41 H GLN 41 12.580 35.392 -0.409 327 HA GLN 41 HA GLN 41 10.685 36.985 1.232 328 HB2 GLN 41 HB2 GLN 41 10.522 36.094 -1.652 329 HB3 GLN 41 HB3 GLN 41 9.404 37.154 -0.731 330 HG2 GLN 41 HG2 GLN 41 11.139 38.875 -0.522 331 HG3 GLN 41 HG3 GLN 41 12.276 37.908 -1.505 332 HE21 GLN 41 HE21 GLN 41 12.404 38.810 -3.459 333 HE22 GLN 41 HE22 GLN 41 11.099 39.291 -4.499 334 H ARG 42 H ARG 42 9.411 36.348 2.725 335 HA ARG 42 HA ARG 42 7.856 33.913 2.104 336 HB2 ARG 42 HB2 ARG 42 8.391 35.153 4.863 337 HB3 ARG 42 HB3 ARG 42 7.534 33.668 4.436 338 HG2 ARG 42 HG2 ARG 42 9.665 32.955 3.247 339 HG3 ARG 42 HG3 ARG 42 10.406 34.254 4.108 340 HD2 ARG 42 HD2 ARG 42 9.839 33.389 6.300 341 HD3 ARG 42 HD3 ARG 42 9.062 31.863 5.522 342 HE ARG 42 HE ARG 42 11.523 31.990 4.399 343 HH11 ARG 42 HH11 ARG 42 10.221 30.809 7.558 344 HH12 ARG 42 HH12 ARG 42 11.578 29.785 7.570 345 HH21 ARG 42 HH21 ARG 42 12.695 30.389 4.595 346 HH22 ARG 42 HH22 ARG 42 12.866 29.549 6.192 347 H LEU 43 H LEU 43 5.843 34.309 1.465 348 HA LEU 43 HA LEU 43 4.844 36.928 2.137 349 HB2 LEU 43 HB2 LEU 43 3.847 35.105 0.102 350 HB3 LEU 43 HB3 LEU 43 3.226 36.764 0.331 351 HG LEU 43 HG LEU 43 6.137 36.569 -0.399 352 HD11 LEU 43 HD11 LEU 43 5.684 37.101 -2.706 353 HD12 LEU 43 HD12 LEU 43 3.961 36.647 -2.495 354 HD13 LEU 43 HD13 LEU 43 5.283 35.500 -2.162 355 HD21 LEU 43 HD21 LEU 43 4.969 38.745 0.515 356 HD22 LEU 43 HD22 LEU 43 3.747 38.540 -0.747 357 HD23 LEU 43 HD23 LEU 43 5.402 38.993 -1.176 358 H ILE 44 H ILE 44 2.902 37.466 3.082 359 HA ILE 44 HA ILE 44 1.564 35.251 4.273 360 HB ILE 44 HB ILE 44 2.455 37.909 5.493 361 HG12 ILE 44 HG12 ILE 44 4.500 36.649 5.278 362 HG13 ILE 44 HG13 ILE 44 3.995 36.919 6.859 363 HG21 ILE 44 HG21 ILE 44 1.692 36.963 7.632 364 HG22 ILE 44 HG22 ILE 44 1.055 35.482 6.791 365 HG23 ILE 44 HG23 ILE 44 0.280 37.124 6.607 366 HD11 ILE 44 HD11 ILE 44 3.631 34.197 5.375 367 HD12 ILE 44 HD12 ILE 44 3.121 34.528 7.040 368 HD13 ILE 44 HD13 ILE 44 4.838 34.503 6.617 369 H PHE 45 H PHE 45 -0.735 35.515 4.432 370 HA PHE 45 HA PHE 45 -1.738 38.219 3.675 371 HB2 PHE 45 HB2 PHE 45 -1.908 37.096 1.580 372 HB3 PHE 45 HB3 PHE 45 -2.646 35.700 2.356 373 HD1 PHE 45 HD1 PHE 45 -3.086 39.496 2.348 374 HD2 PHE 45 HD2 PHE 45 -4.956 35.671 2.037 375 HE1 PHE 45 HE1 PHE 45 -5.180 40.642 1.986 376 HE2 PHE 45 HE2 PHE 45 -7.145 36.800 1.617 377 HZ PHE 45 HZ PHE 45 -7.321 39.245 1.700 378 H ALA 46 H ALA 46 -3.242 38.845 5.226 379 HA ALA 46 HA ALA 46 -4.895 38.793 6.698 380 HB1 ALA 46 HB1 ALA 46 -6.649 37.290 6.163 381 HB2 ALA 46 HB2 ALA 46 -5.621 36.233 5.283 382 HB3 ALA 46 HB3 ALA 46 -5.901 37.856 4.604 383 H GLY 47 H GLY 47 -2.428 37.650 7.749 384 HA2 GLY 47 HA2 GLY 47 -2.032 37.084 9.914 385 HA3 GLY 47 HA3 GLY 47 -3.670 36.535 10.060 386 H LYS 48 H LYS 48 -2.253 35.172 7.207 387 HA LYS 48 HA LYS 48 -1.114 32.880 8.504 388 HB2 LYS 48 HB2 LYS 48 -3.650 32.677 6.892 389 HB3 LYS 48 HB3 LYS 48 -2.521 31.365 7.035 390 HG2 LYS 48 HG2 LYS 48 -2.549 31.739 9.666 391 HG3 LYS 48 HG3 LYS 48 -4.186 32.434 9.386 392 HD2 LYS 48 HD2 LYS 48 -3.021 29.710 8.751 393 HD3 LYS 48 HD3 LYS 48 -4.197 30.054 9.958 394 HE2 LYS 48 HE2 LYS 48 -4.633 30.115 6.929 395 HE3 LYS 48 HE3 LYS 48 -5.359 28.971 8.148 396 HZ1 LYS 48 HZ1 LYS 48 -6.710 30.725 8.932 397 HZ2 LYS 48 HZ2 LYS 48 -6.873 30.439 7.246 398 HZ3 LYS 48 HZ3 LYS 48 -6.072 31.826 7.865 399 H GLN 49 H GLN 49 0.377 31.623 7.169 400 HA GLN 49 HA GLN 49 1.519 33.298 5.158 401 HB2 GLN 49 HB2 GLN 49 2.794 31.939 6.803 402 HB3 GLN 49 HB3 GLN 49 2.040 30.468 6.184 403 HG2 GLN 49 HG2 GLN 49 3.106 30.381 4.125 404 HG3 GLN 49 HG3 GLN 49 3.539 32.044 4.081 405 HE21 GLN 49 HE21 GLN 49 4.343 29.111 6.083 406 HE22 GLN 49 HE22 GLN 49 6.005 29.675 6.303 407 H LEU 50 H LEU 50 1.436 33.207 2.902 408 HA LEU 50 HA LEU 50 -0.448 31.682 1.653 409 HB2 LEU 50 HB2 LEU 50 1.808 33.193 0.627 410 HB3 LEU 50 HB3 LEU 50 0.472 32.471 -0.428 411 HG LEU 50 HG LEU 50 0.085 34.556 1.750 412 HD11 LEU 50 HD11 LEU 50 1.661 35.271 -0.162 413 HD12 LEU 50 HD12 LEU 50 0.370 36.289 0.588 414 HD13 LEU 50 HD13 LEU 50 0.127 35.629 -1.001 415 HD21 LEU 50 HD21 LEU 50 -1.537 33.471 -0.670 416 HD22 LEU 50 HD22 LEU 50 -2.073 34.905 0.241 417 HD23 LEU 50 HD23 LEU 50 -1.966 33.269 1.028 418 H GLU 51 H GLU 51 -0.259 29.432 0.511 419 HA GLU 51 HA GLU 51 2.186 28.086 0.350 420 HB2 GLU 51 HB2 GLU 51 -0.208 27.533 -1.165 421 HB3 GLU 51 HB3 GLU 51 1.222 26.437 -0.782 422 HG2 GLU 51 HG2 GLU 51 0.585 26.225 1.490 423 HG3 GLU 51 HG3 GLU 51 -0.681 27.447 1.408 424 H ASP 52 H ASP 52 3.756 27.916 -1.423 425 HA ASP 52 HA ASP 52 3.987 30.045 -3.024 426 HB2 ASP 52 HB2 ASP 52 5.317 27.281 -3.260 427 HB3 ASP 52 HB3 ASP 52 5.846 28.703 -4.300 428 H GLY 53 H GLY 53 2.513 26.887 -3.991 429 HA2 GLY 53 HA2 GLY 53 2.677 27.532 -6.849 430 HA3 GLY 53 HA3 GLY 53 2.134 26.084 -6.075 431 H ARG 54 H ARG 54 0.469 28.531 -4.568 432 HA ARG 54 HA ARG 54 -1.908 28.007 -6.082 433 HB2 ARG 54 HB2 ARG 54 -1.782 29.463 -3.311 434 HB3 ARG 54 HB3 ARG 54 -3.183 28.947 -4.331 435 HG2 ARG 54 HG2 ARG 54 -2.778 26.698 -4.235 436 HG3 ARG 54 HG3 ARG 54 -1.462 26.831 -3.081 437 HD2 ARG 54 HD2 ARG 54 -3.129 28.116 -1.469 438 HD3 ARG 54 HD3 ARG 54 -4.344 27.532 -2.630 439 HE ARG 54 HE ARG 54 -3.066 25.789 -0.758 440 HH11 ARG 54 HH11 ARG 54 -5.001 25.568 -3.526 441 HH12 ARG 54 HH12 ARG 54 -4.580 23.934 -3.822 442 HH21 ARG 54 HH21 ARG 54 -2.098 23.907 -1.359 443 HH22 ARG 54 HH22 ARG 54 -2.902 23.072 -2.697 444 H THR 55 H THR 55 -3.320 29.687 -6.964 445 HA THR 55 HA THR 55 -1.706 32.032 -7.740 446 HB THR 55 HB THR 55 -3.182 32.620 -9.325 447 HG1 THR 55 HG1 THR 55 -4.644 30.305 -8.484 448 HG21 THR 55 HG21 THR 55 -2.810 30.572 -10.866 449 HG22 THR 55 HG22 THR 55 -2.753 29.567 -9.302 450 HG23 THR 55 HG23 THR 55 -1.504 30.762 -9.705 451 H LEU 56 H LEU 56 -2.791 34.197 -7.718 452 HA LEU 56 HA LEU 56 -4.045 34.657 -5.321 453 HB2 LEU 56 HB2 LEU 56 -3.702 36.484 -7.763 454 HB3 LEU 56 HB3 LEU 56 -4.335 37.006 -6.227 455 HG LEU 56 HG LEU 56 -1.553 35.818 -6.692 456 HD11 LEU 56 HD11 LEU 56 -2.069 38.569 -5.812 457 HD12 LEU 56 HD12 LEU 56 -2.278 38.078 -7.584 458 HD13 LEU 56 HD13 LEU 56 -0.711 37.923 -6.818 459 HD21 LEU 56 HD21 LEU 56 -2.494 35.424 -4.235 460 HD22 LEU 56 HD22 LEU 56 -2.623 37.166 -4.208 461 HD23 LEU 56 HD23 LEU 56 -1.000 36.392 -4.493 462 H SER 57 H SER 57 -5.351 33.750 -8.299 463 HA SER 57 HA SER 57 -8.061 34.545 -7.985 464 HB2 SER 57 HB2 SER 57 -7.396 34.198 -10.231 465 HB3 SER 57 HB3 SER 57 -6.639 32.646 -9.819 466 HG SER 57 HG SER 57 -8.735 31.792 -9.390 467 H ASP 58 H ASP 58 -6.172 31.586 -7.002 468 HA ASP 58 HA ASP 58 -8.371 30.036 -6.234 469 HB2 ASP 58 HB2 ASP 58 -5.416 30.194 -5.317 470 HB3 ASP 58 HB3 ASP 58 -6.506 28.892 -4.824 471 H TYR 59 H TYR 59 -6.392 32.471 -4.681 472 HA TYR 59 HA TYR 59 -7.902 32.389 -2.123 473 HB2 TYR 59 HB2 TYR 59 -5.610 34.228 -3.071 474 HB3 TYR 59 HB3 TYR 59 -6.362 34.304 -1.414 475 HD1 TYR 59 HD1 TYR 59 -3.396 33.087 -2.931 476 HD2 TYR 59 HD2 TYR 59 -6.703 31.708 -0.592 477 HE1 TYR 59 HE1 TYR 59 -1.946 31.614 -1.911 478 HE2 TYR 59 HE2 TYR 59 -5.087 30.262 0.653 479 HH TYR 59 HH TYR 59 -2.925 29.306 0.571 480 H ASN 60 H ASN 60 -8.631 33.735 -5.071 481 HA ASN 60 HA ASN 60 -10.153 35.358 -5.669 482 HB2 ASN 60 HB2 ASN 60 -11.244 35.025 -2.751 483 HB3 ASN 60 HB3 ASN 60 -12.063 35.831 -4.127 484 HD21 ASN 60 HD21 ASN 60 -11.663 34.191 -6.218 485 HD22 ASN 60 HD22 ASN 60 -12.439 32.643 -5.981 486 H ILE 61 H ILE 61 -7.658 36.371 -4.817 487 HA ILE 61 HA ILE 61 -7.801 38.464 -2.929 488 HB ILE 61 HB ILE 61 -5.885 37.998 -5.056 489 HG12 ILE 61 HG12 ILE 61 -6.269 36.186 -3.264 490 HG13 ILE 61 HG13 ILE 61 -4.663 36.685 -3.506 491 HG21 ILE 61 HG21 ILE 61 -6.023 40.451 -4.214 492 HG22 ILE 61 HG22 ILE 61 -4.480 39.591 -4.029 493 HG23 ILE 61 HG23 ILE 61 -5.534 39.848 -2.616 494 HD11 ILE 61 HD11 ILE 61 -6.284 38.100 -1.355 495 HD12 ILE 61 HD12 ILE 61 -4.596 38.033 -1.564 496 HD13 ILE 61 HD13 ILE 61 -5.533 36.551 -1.011 497 H GLN 62 H GLN 62 -8.868 40.311 -2.934 498 HA GLN 62 HA GLN 62 -9.737 41.558 -5.330 499 HB2 GLN 62 HB2 GLN 62 -10.236 42.338 -2.473 500 HB3 GLN 62 HB3 GLN 62 -10.994 43.013 -3.908 501 HG2 GLN 62 HG2 GLN 62 -11.503 40.293 -2.817 502 HG3 GLN 62 HG3 GLN 62 -12.648 41.579 -3.065 503 HE21 GLN 62 HE21 GLN 62 -11.209 39.062 -4.752 504 HE22 GLN 62 HE22 GLN 62 -12.373 39.087 -6.065 505 H LYS 63 H LYS 63 -9.375 43.643 -5.975 506 HA LYS 63 HA LYS 63 -6.689 44.496 -5.961 507 HB2 LYS 63 HB2 LYS 63 -7.505 46.283 -7.222 508 HB3 LYS 63 HB3 LYS 63 -8.610 44.961 -7.724 509 HG2 LYS 63 HG2 LYS 63 -10.355 46.088 -6.070 510 HG3 LYS 63 HG3 LYS 63 -9.088 47.250 -5.726 511 HD2 LYS 63 HD2 LYS 63 -9.064 48.097 -8.039 512 HD3 LYS 63 HD3 LYS 63 -10.251 46.836 -8.497 513 HE2 LYS 63 HE2 LYS 63 -11.227 49.240 -8.186 514 HE3 LYS 63 HE3 LYS 63 -11.903 47.936 -7.135 515 HZ1 LYS 63 HZ1 LYS 63 -9.739 49.653 -6.004 516 HZ2 LYS 63 HZ2 LYS 63 -11.035 48.709 -5.382 517 HZ3 LYS 63 HZ3 LYS 63 -11.339 50.161 -6.141 518 H GLU 64 H GLU 64 -5.675 46.368 -4.910 519 HA GLU 64 HA GLU 64 -5.190 47.786 -3.318 520 HB2 GLU 64 HB2 GLU 64 -8.185 48.025 -3.312 521 HB3 GLU 64 HB3 GLU 64 -7.211 49.036 -2.223 522 HG2 GLU 64 HG2 GLU 64 -6.043 50.196 -3.967 523 HG3 GLU 64 HG3 GLU 64 -6.665 48.966 -5.191 524 H SER 65 H SER 65 -5.792 44.752 -2.571 525 HA SER 65 HA SER 65 -6.041 45.019 0.330 526 HB2 SER 65 HB2 SER 65 -6.042 42.579 -1.461 527 HB3 SER 65 HB3 SER 65 -6.095 42.434 0.381 528 HG SER 65 HG SER 65 -7.819 43.845 -1.361 529 H THR 66 H THR 66 -4.563 43.466 1.601 530 HA THR 66 HA THR 66 -1.840 44.066 0.562 531 HB THR 66 HB THR 66 -2.826 44.465 3.433 532 HG1 THR 66 HG1 THR 66 -3.380 46.108 2.120 533 HG21 THR 66 HG21 THR 66 -0.607 45.340 3.861 534 HG22 THR 66 HG22 THR 66 -0.090 44.936 2.157 535 HG23 THR 66 HG23 THR 66 -0.505 43.625 3.361 536 H LEU 67 H LEU 67 -0.557 42.658 0.311 537 HA LEU 67 HA LEU 67 -0.425 40.147 1.942 538 HB2 LEU 67 HB2 LEU 67 1.519 41.096 -0.019 539 HB3 LEU 67 HB3 LEU 67 1.380 39.406 0.506 540 HG LEU 67 HG LEU 67 -0.410 41.007 -1.281 541 HD11 LEU 67 HD11 LEU 67 0.518 39.499 -3.079 542 HD12 LEU 67 HD12 LEU 67 1.363 38.593 -1.720 543 HD13 LEU 67 HD13 LEU 67 1.781 40.281 -2.081 544 HD21 LEU 67 HD21 LEU 67 -2.023 39.033 -1.445 545 HD22 LEU 67 HD22 LEU 67 -1.768 39.356 0.234 546 HD23 LEU 67 HD23 LEU 67 -0.849 38.021 -0.653 547 H HIS 68 H HIS 68 0.991 40.081 3.629 548 HA HIS 68 HA HIS 68 2.981 42.259 4.126 549 HB2 HIS 68 HB2 HIS 68 1.664 40.080 5.874 550 HB3 HIS 68 HB3 HIS 68 3.287 40.788 6.309 551 HD1 HIS 68 HD1 HIS 68 3.373 43.116 6.985 552 HD2 HIS 68 HD2 HIS 68 -0.476 41.800 6.247 553 HE1 HIS 68 HE1 HIS 68 1.740 45.073 7.421 554 H LEU 69 H LEU 69 5.202 41.863 4.194 555 HA LEU 69 HA LEU 69 6.017 39.346 2.911 556 HB2 LEU 69 HB2 LEU 69 6.537 41.418 1.546 557 HB3 LEU 69 HB3 LEU 69 7.547 42.007 2.905 558 HG LEU 69 HG LEU 69 9.145 40.297 2.686 559 HD11 LEU 69 HD11 LEU 69 7.685 38.294 1.783 560 HD12 LEU 69 HD12 LEU 69 9.307 38.670 1.113 561 HD13 LEU 69 HD13 LEU 69 7.771 39.078 0.199 562 HD21 LEU 69 HD21 LEU 69 9.222 42.305 1.408 563 HD22 LEU 69 HD22 LEU 69 8.460 41.521 0.000 564 HD23 LEU 69 HD23 LEU 69 10.126 41.005 0.653 565 H VAL 70 H VAL 70 7.087 38.212 4.180 566 HA VAL 70 HA VAL 70 8.682 39.132 6.513 567 HB VAL 70 HB VAL 70 7.301 36.453 6.019 568 HG11 VAL 70 HG11 VAL 70 8.110 36.000 8.284 569 HG12 VAL 70 HG12 VAL 70 9.145 37.369 8.402 570 HG13 VAL 70 HG13 VAL 70 9.522 36.143 7.159 571 HG21 VAL 70 HG21 VAL 70 6.025 37.375 7.897 572 HG22 VAL 70 HG22 VAL 70 5.839 38.493 6.531 573 HG23 VAL 70 HG23 VAL 70 6.949 38.936 7.815 574 H LEU 71 H LEU 71 10.898 38.574 6.803 575 HA LEU 71 HA LEU 71 12.139 37.554 4.328 576 HB2 LEU 71 HB2 LEU 71 13.145 39.581 6.420 577 HB3 LEU 71 HB3 LEU 71 14.058 39.048 4.980 578 HG LEU 71 HG LEU 71 11.335 40.555 4.732 579 HD11 LEU 71 HD11 LEU 71 12.637 42.494 4.006 580 HD12 LEU 71 HD12 LEU 71 14.201 41.501 3.996 581 HD13 LEU 71 HD13 LEU 71 13.396 41.988 5.507 582 HD21 LEU 71 HD21 LEU 71 11.928 40.829 2.287 583 HD22 LEU 71 HD22 LEU 71 11.324 39.265 2.921 584 HD23 LEU 71 HD23 LEU 71 13.075 39.448 2.659 585 H ARG 72 H ARG 72 13.613 36.089 4.456 586 HA ARG 72 HA ARG 72 13.850 34.404 6.740 587 HB2 ARG 72 HB2 ARG 72 13.968 33.258 4.431 588 HB3 ARG 72 HB3 ARG 72 15.329 34.390 4.070 589 HG2 ARG 72 HG2 ARG 72 16.736 33.240 5.515 590 HG3 ARG 72 HG3 ARG 72 15.417 32.197 6.169 591 HD2 ARG 72 HD2 ARG 72 16.569 30.698 4.455 592 HD3 ARG 72 HD3 ARG 72 15.173 31.452 3.727 593 HE ARG 72 HE ARG 72 17.207 33.309 3.177 594 HH11 ARG 72 HH11 ARG 72 16.848 30.020 2.344 595 HH12 ARG 72 HH12 ARG 72 17.386 30.359 0.709 596 HH21 ARG 72 HH21 ARG 72 18.299 33.667 1.249 597 HH22 ARG 72 HH22 ARG 72 18.314 32.335 0.207 598 H LEU 73 H LEU 73 14.987 34.195 8.157 599 HA LEU 73 HA LEU 73 17.063 36.119 8.934 600 HB2 LEU 73 HB2 LEU 73 15.307 35.254 10.602 601 HB3 LEU 73 HB3 LEU 73 16.023 33.666 10.342 602 HG LEU 73 HG LEU 73 18.195 34.479 11.433 603 HD11 LEU 73 HD11 LEU 73 16.742 36.973 11.243 604 HD12 LEU 73 HD12 LEU 73 18.472 36.671 10.865 605 HD13 LEU 73 HD13 LEU 73 17.859 36.870 12.582 606 HD21 LEU 73 HD21 LEU 73 16.389 33.560 12.932 607 HD22 LEU 73 HD22 LEU 73 15.654 35.171 13.008 608 HD23 LEU 73 HD23 LEU 73 17.298 35.020 13.690 609 H ARG 74 H ARG 74 18.955 36.197 8.150 610 HA ARG 74 HA ARG 74 20.594 33.797 8.474 611 HB2 ARG 74 HB2 ARG 74 19.444 33.800 5.998 612 HB3 ARG 74 HB3 ARG 74 20.261 35.292 5.871 613 HG2 ARG 74 HG2 ARG 74 22.516 34.008 5.744 614 HG3 ARG 74 HG3 ARG 74 21.560 32.607 6.255 615 HD2 ARG 74 HD2 ARG 74 22.096 32.600 3.808 616 HD3 ARG 74 HD3 ARG 74 20.331 32.512 4.128 617 HE ARG 74 HE ARG 74 21.324 35.342 3.837 618 HH11 ARG 74 HH11 ARG 74 20.848 32.608 1.552 619 HH12 ARG 74 HH12 ARG 74 20.872 33.798 0.278 620 HH21 ARG 74 HH21 ARG 74 20.635 36.400 2.395 621 HH22 ARG 74 HH22 ARG 74 21.144 35.928 0.788 622 H GLY 75 H GLY 75 22.809 34.128 8.137 623 HA2 GLY 75 HA2 GLY 75 23.735 36.382 9.493 624 HA3 GLY 75 HA3 GLY 75 24.740 35.162 8.582 625 H GLY 76 H GLY 76 25.523 37.869 8.692 626 HA2 GLY 76 HA2 GLY 76 26.693 38.692 6.602 627 HA3 GLY 76 HA3 GLY 76 24.993 39.066 6.059 Start of MODEL 19 1 H MET 1 HT1 MET 1 -3.333 43.580 -12.171 2 HA MET 1 HA MET 1 -5.178 45.731 -11.583 3 HB2 MET 1 HB2 MET 1 -6.601 44.568 -10.357 4 HB3 MET 1 HB3 MET 1 -6.513 43.454 -11.628 5 HG2 MET 1 HG2 MET 1 -4.640 42.244 -9.951 6 HG3 MET 1 HG3 MET 1 -5.383 43.354 -8.795 7 HE1 MET 1 HE1 MET 1 -5.820 40.717 -7.409 8 HE2 MET 1 HE2 MET 1 -5.005 40.068 -8.881 9 HE3 MET 1 HE3 MET 1 -6.505 39.363 -8.275 10 H GLN 2 H GLN 2 -4.883 46.276 -9.370 11 HA GLN 2 HA GLN 2 -2.047 46.177 -8.694 12 HB2 GLN 2 HB2 GLN 2 -2.250 48.220 -7.423 13 HB3 GLN 2 HB3 GLN 2 -3.008 48.317 -9.035 14 HG2 GLN 2 HG2 GLN 2 -5.270 48.066 -8.172 15 HG3 GLN 2 HG3 GLN 2 -4.633 47.781 -6.487 16 HE21 GLN 2 HE21 GLN 2 -6.290 50.216 -8.004 17 HE22 GLN 2 HE22 GLN 2 -5.393 51.543 -7.413 18 H ILE 3 H ILE 3 -1.169 45.801 -6.663 19 HA ILE 3 HA ILE 3 -2.771 45.302 -4.333 20 HB ILE 3 HB ILE 3 -1.487 43.401 -3.555 21 HG12 ILE 3 HG12 ILE 3 -0.172 43.420 -6.382 22 HG13 ILE 3 HG13 ILE 3 0.710 43.875 -4.902 23 HG21 ILE 3 HG21 ILE 3 -2.744 42.751 -6.287 24 HG22 ILE 3 HG22 ILE 3 -3.662 43.106 -4.779 25 HG23 ILE 3 HG23 ILE 3 -2.687 41.676 -4.789 26 HD11 ILE 3 HD11 ILE 3 0.506 41.601 -4.063 27 HD12 ILE 3 HD12 ILE 3 1.390 41.641 -5.622 28 HD13 ILE 3 HD13 ILE 3 -0.380 41.173 -5.591 29 H PHE 4 H PHE 4 -1.623 45.404 -2.516 30 HA PHE 4 HA PHE 4 0.819 47.071 -2.789 31 HB2 PHE 4 HB2 PHE 4 -1.188 47.324 -0.408 32 HB3 PHE 4 HB3 PHE 4 0.244 48.326 -0.959 33 HD1 PHE 4 HD1 PHE 4 -3.332 47.967 -0.797 34 HD2 PHE 4 HD2 PHE 4 -0.178 49.257 -3.296 35 HE1 PHE 4 HE1 PHE 4 -4.894 49.161 -2.252 36 HE2 PHE 4 HE2 PHE 4 -1.708 50.681 -4.624 37 HZ PHE 4 HZ PHE 4 -4.239 50.477 -4.134 38 H VAL 5 H VAL 5 2.597 46.320 -1.733 39 HA VAL 5 HA VAL 5 2.104 44.199 0.221 40 HB VAL 5 HB VAL 5 4.468 44.575 -1.750 41 HG11 VAL 5 HG11 VAL 5 3.994 42.283 0.240 42 HG12 VAL 5 HG12 VAL 5 5.295 43.547 0.342 43 HG13 VAL 5 HG13 VAL 5 5.202 42.521 -1.084 44 HG21 VAL 5 HG21 VAL 5 2.230 42.598 -1.649 45 HG22 VAL 5 HG22 VAL 5 3.744 42.586 -2.717 46 HG23 VAL 5 HG23 VAL 5 2.588 43.775 -2.953 47 H LYS 6 H LYS 6 2.777 44.706 2.279 48 HA LYS 6 HA LYS 6 4.138 47.230 2.797 49 HB2 LYS 6 HB2 LYS 6 1.995 47.064 3.774 50 HB3 LYS 6 HB3 LYS 6 2.224 45.377 4.290 51 HG2 LYS 6 HG2 LYS 6 2.289 46.433 6.345 52 HG3 LYS 6 HG3 LYS 6 3.944 45.902 5.964 53 HD2 LYS 6 HD2 LYS 6 4.281 48.053 6.932 54 HD3 LYS 6 HD3 LYS 6 4.365 48.487 5.233 55 HE2 LYS 6 HE2 LYS 6 3.082 50.224 6.377 56 HE3 LYS 6 HE3 LYS 6 2.134 49.344 5.178 57 HZ1 LYS 6 HZ1 LYS 6 2.048 48.840 7.987 58 HZ2 LYS 6 HZ2 LYS 6 1.007 48.093 6.827 59 HZ3 LYS 6 HZ3 LYS 6 0.915 49.762 7.113 60 H THR 7 H THR 7 6.007 47.220 3.719 61 HA THR 7 HA THR 7 7.267 44.653 4.465 62 HB THR 7 HB THR 7 9.336 45.765 4.414 63 HG1 THR 7 HG1 THR 7 9.684 47.868 4.298 64 HG21 THR 7 HG21 THR 7 7.682 46.909 2.220 65 HG22 THR 7 HG22 THR 7 8.510 45.291 2.178 66 HG23 THR 7 HG23 THR 7 9.412 46.813 2.187 67 H LEU 8 H LEU 8 8.793 44.552 6.370 68 HA LEU 8 HA LEU 8 7.320 44.927 8.696 69 HB2 LEU 8 HB2 LEU 8 8.701 42.967 8.602 70 HB3 LEU 8 HB3 LEU 8 10.012 44.029 8.045 71 HG LEU 8 HG LEU 8 10.244 44.924 10.405 72 HD11 LEU 8 HD11 LEU 8 7.858 44.528 11.368 73 HD12 LEU 8 HD12 LEU 8 9.190 43.798 12.182 74 HD13 LEU 8 HD13 LEU 8 8.168 42.791 11.127 75 HD21 LEU 8 HD21 LEU 8 11.806 43.160 9.916 76 HD22 LEU 8 HD22 LEU 8 10.480 41.963 9.826 77 HD23 LEU 8 HD23 LEU 8 10.969 42.634 11.356 78 H THR 9 H THR 9 10.192 46.886 7.345 79 HA THR 9 HA THR 9 9.931 48.786 9.453 80 HB THR 9 HB THR 9 11.640 50.111 8.333 81 HG1 THR 9 HG1 THR 9 12.620 48.741 6.743 82 HG21 THR 9 HG21 THR 9 12.261 47.163 8.590 83 HG22 THR 9 HG22 THR 9 11.947 48.107 9.992 84 HG23 THR 9 HG23 THR 9 13.422 48.414 8.944 85 H GLY 10 H GLY 10 7.657 48.507 7.188 86 HA2 GLY 10 HA2 GLY 10 5.897 50.117 7.396 87 HA3 GLY 10 HA3 GLY 10 7.122 51.353 7.618 88 H LYS 11 H LYS 11 8.357 50.132 5.146 89 HA LYS 11 HA LYS 11 7.293 51.864 3.209 90 HB2 LYS 11 HB2 LYS 11 9.288 49.626 3.031 91 HB3 LYS 11 HB3 LYS 11 8.737 50.442 1.592 92 HG2 LYS 11 HG2 LYS 11 10.784 51.414 2.413 93 HG3 LYS 11 HG3 LYS 11 9.465 52.562 2.257 94 HD2 LYS 11 HD2 LYS 11 9.071 52.414 4.817 95 HD3 LYS 11 HD3 LYS 11 10.454 51.206 4.800 96 HE2 LYS 11 HE2 LYS 11 11.822 53.420 3.815 97 HE3 LYS 11 HE3 LYS 11 10.394 54.263 4.528 98 HZ1 LYS 11 HZ1 LYS 11 12.154 54.162 6.060 99 HZ2 LYS 11 HZ2 LYS 11 12.146 52.513 6.041 100 HZ3 LYS 11 HZ3 LYS 11 10.893 53.315 6.747 101 H THR 12 H THR 12 5.838 51.351 1.039 102 HA THR 12 HA THR 12 4.791 48.650 0.977 103 HB THR 12 HB THR 12 3.328 51.211 0.195 104 HG1 THR 12 HG1 THR 12 3.382 51.307 2.477 105 HG21 THR 12 HG21 THR 12 2.337 48.367 0.564 106 HG22 THR 12 HG22 THR 12 2.323 49.280 -0.831 107 HG23 THR 12 HG23 THR 12 1.264 49.839 0.478 108 H ILE 13 H ILE 13 5.080 47.502 -0.995 109 HA ILE 13 HA ILE 13 6.051 49.245 -3.143 110 HB ILE 13 HB ILE 13 6.161 46.218 -2.723 111 HG12 ILE 13 HG12 ILE 13 8.564 48.066 -2.261 112 HG13 ILE 13 HG13 ILE 13 7.451 47.528 -0.966 113 HG21 ILE 13 HG21 ILE 13 6.198 46.665 -4.954 114 HG22 ILE 13 HG22 ILE 13 7.807 46.159 -4.659 115 HG23 ILE 13 HG23 ILE 13 7.380 47.918 -4.930 116 HD11 ILE 13 HD11 ILE 13 7.837 45.145 -1.668 117 HD12 ILE 13 HD12 ILE 13 9.231 45.932 -0.809 118 HD13 ILE 13 HD13 ILE 13 9.269 45.645 -2.549 119 H THR 14 H THR 14 4.719 49.342 -5.103 120 HA THR 14 HA THR 14 2.078 48.131 -4.700 121 HB THR 14 HB THR 14 3.015 50.674 -6.115 122 HG1 THR 14 HG1 THR 14 2.613 50.688 -3.871 123 HG21 THR 14 HG21 THR 14 0.445 50.879 -6.568 124 HG22 THR 14 HG22 THR 14 0.259 49.210 -6.039 125 HG23 THR 14 HG23 THR 14 1.184 49.592 -7.494 126 H LEU 15 H LEU 15 1.675 46.543 -6.021 127 HA LEU 15 HA LEU 15 3.307 46.294 -8.457 128 HB2 LEU 15 HB2 LEU 15 2.108 43.925 -6.890 129 HB3 LEU 15 HB3 LEU 15 3.096 43.898 -8.386 130 HG LEU 15 HG LEU 15 3.978 45.129 -5.795 131 HD11 LEU 15 HD11 LEU 15 3.301 43.102 -4.997 132 HD12 LEU 15 HD12 LEU 15 5.025 42.992 -5.022 133 HD13 LEU 15 HD13 LEU 15 4.142 42.174 -6.292 134 HD21 LEU 15 HD21 LEU 15 6.256 44.462 -6.751 135 HD22 LEU 15 HD22 LEU 15 5.390 45.850 -7.506 136 HD23 LEU 15 HD23 LEU 15 5.409 44.204 -8.264 137 H GLU 16 H GLU 16 2.301 46.124 -10.360 138 HA GLU 16 HA GLU 16 -0.549 45.395 -10.432 139 HB2 GLU 16 HB2 GLU 16 1.400 46.630 -12.392 140 HB3 GLU 16 HB3 GLU 16 -0.078 45.999 -12.917 141 HG2 GLU 16 HG2 GLU 16 -1.403 47.428 -11.414 142 HG3 GLU 16 HG3 GLU 16 0.035 48.064 -10.651 143 H VAL 17 H VAL 17 -1.211 43.429 -10.733 144 HA VAL 17 HA VAL 17 0.162 41.295 -12.188 145 HB VAL 17 HB VAL 17 -0.055 39.736 -10.257 146 HG11 VAL 17 HG11 VAL 17 1.962 40.434 -9.342 147 HG12 VAL 17 HG12 VAL 17 1.581 42.118 -9.383 148 HG13 VAL 17 HG13 VAL 17 2.047 41.285 -10.869 149 HG21 VAL 17 HG21 VAL 17 -0.595 40.596 -8.054 150 HG22 VAL 17 HG22 VAL 17 -1.899 41.173 -9.121 151 HG23 VAL 17 HG23 VAL 17 -0.647 42.324 -8.676 152 H GLU 18 H GLU 18 -1.368 39.229 -12.312 153 HA GLU 18 HA GLU 18 -4.112 40.104 -12.607 154 HB2 GLU 18 HB2 GLU 18 -2.528 37.912 -14.108 155 HB3 GLU 18 HB3 GLU 18 -4.250 38.163 -14.306 156 HG2 GLU 18 HG2 GLU 18 -3.809 40.463 -15.223 157 HG3 GLU 18 HG3 GLU 18 -2.102 40.304 -14.694 158 HA PRO 19 HA PRO 19 -5.823 36.878 -10.001 159 HB2 PRO 19 HB2 PRO 19 -7.376 36.336 -12.504 160 HB3 PRO 19 HB3 PRO 19 -8.035 36.188 -10.847 161 HG2 PRO 19 HG2 PRO 19 -8.429 38.745 -11.839 162 HG3 PRO 19 HG3 PRO 19 -7.703 38.468 -10.238 163 HD2 PRO 19 HD2 PRO 19 -6.456 39.171 -12.934 164 HD3 PRO 19 HD3 PRO 19 -6.045 39.891 -11.327 165 H SER 20 H SER 20 -5.183 35.504 -13.268 166 HA SER 20 HA SER 20 -4.431 33.031 -12.182 167 HB2 SER 20 HB2 SER 20 -3.901 32.486 -14.515 168 HB3 SER 20 HB3 SER 20 -5.670 32.857 -14.287 169 HG SER 20 HG SER 20 -3.894 34.620 -15.550 170 H ASP 21 H ASP 21 -2.824 35.541 -11.564 171 HA ASP 21 HA ASP 21 -0.207 34.453 -12.308 172 HB2 ASP 21 HB2 ASP 21 -0.727 37.244 -10.887 173 HB3 ASP 21 HB3 ASP 21 0.852 36.524 -11.253 174 H THR 22 H THR 22 1.119 33.530 -10.879 175 HA THR 22 HA THR 22 0.147 32.429 -8.461 176 HB THR 22 HB THR 22 2.220 31.175 -8.295 177 HG1 THR 22 HG1 THR 22 3.495 31.465 -10.328 178 HG21 THR 22 HG21 THR 22 1.118 31.003 -11.116 179 HG22 THR 22 HG22 THR 22 0.455 30.223 -9.576 180 HG23 THR 22 HG23 THR 22 1.970 29.736 -10.245 181 H ILE 23 H ILE 23 1.303 32.486 -6.563 182 HA ILE 23 HA ILE 23 2.154 34.964 -5.508 183 HB ILE 23 HB ILE 23 2.327 32.114 -4.494 184 HG12 ILE 23 HG12 ILE 23 -0.090 32.749 -4.830 185 HG13 ILE 23 HG13 ILE 23 0.282 32.878 -3.180 186 HG21 ILE 23 HG21 ILE 23 2.884 34.945 -3.352 187 HG22 ILE 23 HG22 ILE 23 3.805 33.419 -3.174 188 HG23 ILE 23 HG23 ILE 23 2.262 33.744 -2.298 189 HD11 ILE 23 HD11 ILE 23 0.525 35.416 -3.339 190 HD12 ILE 23 HD12 ILE 23 -1.081 34.875 -3.855 191 HD13 ILE 23 HD13 ILE 23 0.083 35.298 -5.077 192 H GLU 24 H GLU 24 4.111 32.018 -6.709 193 HA GLU 24 HA GLU 24 6.595 32.853 -6.302 194 HB2 GLU 24 HB2 GLU 24 6.059 30.751 -7.063 195 HB3 GLU 24 HB3 GLU 24 5.143 31.429 -8.536 196 HG2 GLU 24 HG2 GLU 24 7.235 32.095 -9.605 197 HG3 GLU 24 HG3 GLU 24 8.240 31.509 -8.234 198 H ASN 25 H ASN 25 4.579 33.643 -8.944 199 HA ASN 25 HA ASN 25 6.324 35.390 -10.222 200 HB2 ASN 25 HB2 ASN 25 4.447 34.226 -11.495 201 HB3 ASN 25 HB3 ASN 25 3.244 35.202 -10.655 202 HD21 ASN 25 HD21 ASN 25 2.748 37.039 -11.426 203 HD22 ASN 25 HD22 ASN 25 3.310 37.592 -12.999 204 H VAL 26 H VAL 26 3.670 36.215 -7.940 205 HA VAL 26 HA VAL 26 4.098 39.000 -7.874 206 HB VAL 26 HB VAL 26 2.703 36.916 -6.355 207 HG11 VAL 26 HG11 VAL 26 2.345 38.513 -4.328 208 HG12 VAL 26 HG12 VAL 26 3.575 39.558 -5.015 209 HG13 VAL 26 HG13 VAL 26 4.021 37.882 -4.447 210 HG21 VAL 26 HG21 VAL 26 0.887 38.579 -6.303 211 HG22 VAL 26 HG22 VAL 26 1.526 38.396 -7.966 212 HG23 VAL 26 HG23 VAL 26 2.014 39.762 -6.975 213 H LYS 27 H LYS 27 5.684 36.383 -6.006 214 HA LYS 27 HA LYS 27 7.437 38.163 -4.589 215 HB2 LYS 27 HB2 LYS 27 7.998 35.161 -5.267 216 HB3 LYS 27 HB3 LYS 27 8.934 36.206 -4.137 217 HG2 LYS 27 HG2 LYS 27 7.374 36.529 -2.599 218 HG3 LYS 27 HG3 LYS 27 6.053 35.802 -3.656 219 HD2 LYS 27 HD2 LYS 27 7.224 33.688 -3.652 220 HD3 LYS 27 HD3 LYS 27 8.596 34.357 -2.827 221 HE2 LYS 27 HE2 LYS 27 7.041 34.957 -1.022 222 HE3 LYS 27 HE3 LYS 27 5.783 33.900 -1.750 223 HZ1 LYS 27 HZ1 LYS 27 7.083 32.680 -0.039 224 HZ2 LYS 27 HZ2 LYS 27 8.533 32.997 -0.886 225 HZ3 LYS 27 HZ3 LYS 27 7.293 32.109 -1.596 226 H ALA 28 H ALA 28 8.033 36.519 -7.809 227 HA ALA 28 HA ALA 28 10.509 37.678 -8.379 228 HB1 ALA 28 HB1 ALA 28 10.122 36.657 -10.476 229 HB2 ALA 28 HB2 ALA 28 8.347 36.987 -10.429 230 HB3 ALA 28 HB3 ALA 28 9.067 35.614 -9.529 231 H LYS 29 H LYS 29 7.277 39.137 -8.761 232 HA LYS 29 HA LYS 29 8.008 41.383 -10.287 233 HB2 LYS 29 HB2 LYS 29 5.765 40.910 -8.285 234 HB3 LYS 29 HB3 LYS 29 6.018 42.428 -9.203 235 HG2 LYS 29 HG2 LYS 29 4.829 39.914 -10.068 236 HG3 LYS 29 HG3 LYS 29 4.412 41.541 -10.570 237 HD2 LYS 29 HD2 LYS 29 6.541 41.673 -11.884 238 HD3 LYS 29 HD3 LYS 29 6.901 39.926 -11.585 239 HE2 LYS 29 HE2 LYS 29 4.965 39.139 -12.821 240 HE3 LYS 29 HE3 LYS 29 4.278 40.799 -12.930 241 HZ1 LYS 29 HZ1 LYS 29 5.975 41.518 -14.242 242 HZ2 LYS 29 HZ2 LYS 29 5.317 40.114 -14.845 243 HZ3 LYS 29 HZ3 LYS 29 6.963 40.177 -14.224 244 H ILE 30 H ILE 30 8.162 40.659 -6.704 245 HA ILE 30 HA ILE 30 8.913 43.339 -5.857 246 HB ILE 30 HB ILE 30 8.751 40.549 -4.499 247 HG12 ILE 30 HG12 ILE 30 7.006 43.036 -4.100 248 HG13 ILE 30 HG13 ILE 30 6.668 41.750 -5.355 249 HG21 ILE 30 HG21 ILE 30 8.885 42.040 -2.379 250 HG22 ILE 30 HG22 ILE 30 9.535 43.306 -3.478 251 HG23 ILE 30 HG23 ILE 30 10.397 41.740 -3.342 252 HD11 ILE 30 HD11 ILE 30 5.384 41.538 -3.248 253 HD12 ILE 30 HD12 ILE 30 6.924 41.078 -2.399 254 HD13 ILE 30 HD13 ILE 30 6.313 40.096 -3.771 255 H GLN 31 H GLN 31 10.632 40.489 -6.831 256 HA GLN 31 HA GLN 31 13.158 40.987 -6.269 257 HB2 GLN 31 HB2 GLN 31 11.865 39.052 -7.675 258 HB3 GLN 31 HB3 GLN 31 12.326 39.968 -9.061 259 HG2 GLN 31 HG2 GLN 31 14.635 39.622 -8.712 260 HG3 GLN 31 HG3 GLN 31 14.289 38.915 -7.044 261 HE21 GLN 31 HE21 GLN 31 15.838 37.718 -9.013 262 HE22 GLN 31 HE22 GLN 31 15.031 36.288 -9.566 263 H ASP 32 H ASP 32 11.285 42.123 -8.881 264 HA ASP 32 HA ASP 32 13.568 43.556 -10.163 265 HB2 ASP 32 HB2 ASP 32 10.620 43.915 -10.921 266 HB3 ASP 32 HB3 ASP 32 12.150 44.426 -11.836 267 H LYS 33 H LYS 33 11.199 44.233 -7.789 268 HA LYS 33 HA LYS 33 11.330 47.107 -8.239 269 HB2 LYS 33 HB2 LYS 33 9.728 45.777 -6.061 270 HB3 LYS 33 HB3 LYS 33 9.946 47.596 -6.265 271 HG2 LYS 33 HG2 LYS 33 8.756 45.678 -8.337 272 HG3 LYS 33 HG3 LYS 33 7.785 46.360 -7.099 273 HD2 LYS 33 HD2 LYS 33 8.414 48.685 -7.871 274 HD3 LYS 33 HD3 LYS 33 9.504 47.967 -9.074 275 HE2 LYS 33 HE2 LYS 33 6.580 47.381 -8.787 276 HE3 LYS 33 HE3 LYS 33 7.084 48.907 -9.660 277 HZ1 LYS 33 HZ1 LYS 33 6.939 47.554 -11.401 278 HZ2 LYS 33 HZ2 LYS 33 7.272 46.147 -10.479 279 HZ3 LYS 33 HZ3 LYS 33 8.491 47.215 -11.036 280 H GLU 34 H GLU 34 11.944 45.138 -5.406 281 HA GLU 34 HA GLU 34 13.855 47.068 -4.297 282 HB2 GLU 34 HB2 GLU 34 11.887 45.081 -2.960 283 HB3 GLU 34 HB3 GLU 34 13.124 45.986 -2.133 284 HG2 GLU 34 HG2 GLU 34 10.714 47.080 -3.518 285 HG3 GLU 34 HG3 GLU 34 11.160 47.017 -1.762 286 H GLY 35 H GLY 35 14.223 44.259 -6.003 287 HA2 GLY 35 HA2 GLY 35 16.360 43.231 -6.289 288 HA3 GLY 35 HA3 GLY 35 16.943 44.158 -5.005 289 H ILE 36 H ILE 36 14.073 41.970 -4.586 290 HA ILE 36 HA ILE 36 15.654 40.947 -2.518 291 HB ILE 36 HB ILE 36 12.695 40.363 -2.736 292 HG12 ILE 36 HG12 ILE 36 14.197 42.820 -1.444 293 HG13 ILE 36 HG13 ILE 36 12.869 42.900 -2.712 294 HG21 ILE 36 HG21 ILE 36 14.560 39.087 -1.217 295 HG22 ILE 36 HG22 ILE 36 12.989 39.583 -0.584 296 HG23 ILE 36 HG23 ILE 36 14.428 40.580 -0.308 297 HD11 ILE 36 HD11 ILE 36 11.994 43.563 -0.617 298 HD12 ILE 36 HD12 ILE 36 12.524 41.995 0.118 299 HD13 ILE 36 HD13 ILE 36 11.259 42.106 -1.201 300 HA PRO 37 HA PRO 37 16.300 36.904 -4.725 301 HB2 PRO 37 HB2 PRO 37 16.559 36.289 -1.768 302 HB3 PRO 37 HB3 PRO 37 17.641 35.599 -3.111 303 HG2 PRO 37 HG2 PRO 37 18.418 37.658 -1.423 304 HG3 PRO 37 HG3 PRO 37 18.830 37.686 -3.169 305 HD2 PRO 37 HD2 PRO 37 16.705 39.181 -1.657 306 HD3 PRO 37 HD3 PRO 37 17.727 39.700 -3.096 307 HA PRO 38 HA PRO 38 12.095 36.090 -4.126 308 HB2 PRO 38 HB2 PRO 38 11.685 33.836 -5.609 309 HB3 PRO 38 HB3 PRO 38 11.994 35.499 -6.402 310 HG2 PRO 38 HG2 PRO 38 13.775 33.277 -6.092 311 HG3 PRO 38 HG3 PRO 38 13.519 34.428 -7.463 312 HD2 PRO 38 HD2 PRO 38 15.708 34.678 -5.642 313 HD3 PRO 38 HD3 PRO 38 15.019 36.119 -6.208 314 H ASP 39 H ASP 39 13.895 33.217 -3.504 315 HA ASP 39 HA ASP 39 12.049 32.161 -1.766 316 HB2 ASP 39 HB2 ASP 39 14.902 31.720 -2.466 317 HB3 ASP 39 HB3 ASP 39 14.062 30.720 -1.231 318 H GLN 40 H GLN 40 14.533 34.786 -1.006 319 HA GLN 40 HA GLN 40 14.449 34.407 1.760 320 HB2 GLN 40 HB2 GLN 40 16.294 35.701 0.744 321 HB3 GLN 40 HB3 GLN 40 15.007 36.812 0.089 322 HG2 GLN 40 HG2 GLN 40 14.635 37.834 2.397 323 HG3 GLN 40 HG3 GLN 40 15.525 36.575 3.208 324 HE21 GLN 40 HE21 GLN 40 17.732 36.226 2.005 325 HE22 GLN 40 HE22 GLN 40 18.622 37.666 2.163 326 H GLN 41 H GLN 41 12.013 35.299 -0.342 327 HA GLN 41 HA GLN 41 10.686 37.173 1.419 328 HB2 GLN 41 HB2 GLN 41 10.018 35.956 -1.327 329 HB3 GLN 41 HB3 GLN 41 8.956 37.267 -0.507 330 HG2 GLN 41 HG2 GLN 41 10.935 38.839 -0.752 331 HG3 GLN 41 HG3 GLN 41 11.879 37.493 -1.604 332 HE21 GLN 41 HE21 GLN 41 12.199 38.383 -3.582 333 HE22 GLN 41 HE22 GLN 41 10.883 38.671 -4.639 334 H ARG 42 H ARG 42 9.197 36.743 3.012 335 HA ARG 42 HA ARG 42 7.525 34.476 2.767 336 HB2 ARG 42 HB2 ARG 42 8.077 36.528 5.053 337 HB3 ARG 42 HB3 ARG 42 7.025 35.126 5.122 338 HG2 ARG 42 HG2 ARG 42 8.754 33.474 4.978 339 HG3 ARG 42 HG3 ARG 42 9.988 34.760 5.054 340 HD2 ARG 42 HD2 ARG 42 9.216 35.480 7.132 341 HD3 ARG 42 HD3 ARG 42 7.747 34.368 7.120 342 HE ARG 42 HE ARG 42 10.089 32.744 6.816 343 HH11 ARG 42 HH11 ARG 42 8.856 34.718 9.472 344 HH12 ARG 42 HH12 ARG 42 9.920 33.986 10.532 345 HH21 ARG 42 HH21 ARG 42 11.266 31.756 8.254 346 HH22 ARG 42 HH22 ARG 42 11.153 32.312 9.896 347 H LEU 43 H LEU 43 5.728 35.008 1.746 348 HA LEU 43 HA LEU 43 4.649 37.732 2.240 349 HB2 LEU 43 HB2 LEU 43 4.262 35.613 0.086 350 HB3 LEU 43 HB3 LEU 43 2.862 36.574 0.365 351 HG LEU 43 HG LEU 43 5.689 37.425 -0.525 352 HD11 LEU 43 HD11 LEU 43 2.917 38.115 -1.677 353 HD12 LEU 43 HD12 LEU 43 3.778 36.782 -2.219 354 HD13 LEU 43 HD13 LEU 43 4.507 38.395 -2.495 355 HD21 LEU 43 HD21 LEU 43 3.369 39.295 0.483 356 HD22 LEU 43 HD22 LEU 43 4.553 39.829 -0.625 357 HD23 LEU 43 HD23 LEU 43 5.048 39.255 1.004 358 H ILE 44 H ILE 44 3.439 37.898 3.978 359 HA ILE 44 HA ILE 44 1.917 35.597 4.783 360 HB ILE 44 HB ILE 44 2.814 37.890 6.366 361 HG12 ILE 44 HG12 ILE 44 3.945 35.141 6.720 362 HG13 ILE 44 HG13 ILE 44 4.784 36.349 5.684 363 HG21 ILE 44 HG21 ILE 44 1.781 35.258 7.401 364 HG22 ILE 44 HG22 ILE 44 0.652 36.518 6.974 365 HG23 ILE 44 HG23 ILE 44 1.892 36.817 8.239 366 HD11 ILE 44 HD11 ILE 44 4.727 37.904 7.778 367 HD12 ILE 44 HD12 ILE 44 5.757 36.450 7.798 368 HD13 ILE 44 HD13 ILE 44 4.171 36.445 8.667 369 H PHE 45 H PHE 45 -0.371 35.815 4.862 370 HA PHE 45 HA PHE 45 -1.461 38.478 5.115 371 HB2 PHE 45 HB2 PHE 45 -1.675 37.529 2.649 372 HB3 PHE 45 HB3 PHE 45 -2.761 36.257 3.386 373 HD1 PHE 45 HD1 PHE 45 -4.967 36.725 2.186 374 HD2 PHE 45 HD2 PHE 45 -2.505 39.946 3.797 375 HE1 PHE 45 HE1 PHE 45 -6.713 38.455 1.694 376 HE2 PHE 45 HE2 PHE 45 -4.524 41.507 3.516 377 HZ PHE 45 HZ PHE 45 -6.481 40.752 2.461 378 H ALA 46 H ALA 46 -2.550 38.592 6.867 379 HA ALA 46 HA ALA 46 -4.046 37.954 8.499 380 HB1 ALA 46 HB1 ALA 46 -6.123 36.959 7.737 381 HB2 ALA 46 HB2 ALA 46 -5.335 36.516 6.220 382 HB3 ALA 46 HB3 ALA 46 -5.424 38.245 6.646 383 H GLY 47 H GLY 47 -2.022 36.705 9.073 384 HA2 GLY 47 HA2 GLY 47 -1.477 35.195 10.863 385 HA3 GLY 47 HA3 GLY 47 -3.088 34.487 10.599 386 H LYS 48 H LYS 48 -1.632 34.299 7.649 387 HA LYS 48 HA LYS 48 0.373 32.267 8.258 388 HB2 LYS 48 HB2 LYS 48 -0.658 30.540 6.843 389 HB3 LYS 48 HB3 LYS 48 -1.756 31.011 8.119 390 HG2 LYS 48 HG2 LYS 48 -3.325 32.128 6.667 391 HG3 LYS 48 HG3 LYS 48 -2.088 32.377 5.464 392 HD2 LYS 48 HD2 LYS 48 -1.868 30.155 4.830 393 HD3 LYS 48 HD3 LYS 48 -3.064 29.550 6.009 394 HE2 LYS 48 HE2 LYS 48 -3.321 31.394 3.670 395 HE3 LYS 48 HE3 LYS 48 -3.920 29.682 3.688 396 HZ1 LYS 48 HZ1 LYS 48 -5.080 32.003 4.861 397 HZ2 LYS 48 HZ2 LYS 48 -5.086 30.677 5.864 398 HZ3 LYS 48 HZ3 LYS 48 -5.846 30.604 4.338 399 H GLN 49 H GLN 49 1.683 31.474 6.465 400 HA GLN 49 HA GLN 49 2.188 33.479 4.489 401 HB2 GLN 49 HB2 GLN 49 3.259 30.673 4.522 402 HB3 GLN 49 HB3 GLN 49 3.587 31.762 3.264 403 HG2 GLN 49 HG2 GLN 49 4.609 33.410 4.867 404 HG3 GLN 49 HG3 GLN 49 4.234 32.237 6.274 405 HE21 GLN 49 HE21 GLN 49 5.729 30.633 6.591 406 HE22 GLN 49 HE22 GLN 49 7.221 30.512 5.718 407 H LEU 50 H LEU 50 1.822 33.623 2.188 408 HA LEU 50 HA LEU 50 -0.018 31.691 1.073 409 HB2 LEU 50 HB2 LEU 50 1.457 33.967 -0.290 410 HB3 LEU 50 HB3 LEU 50 0.173 33.175 -1.085 411 HG LEU 50 HG LEU 50 0.117 34.863 1.382 412 HD11 LEU 50 HD11 LEU 50 -1.216 35.609 -1.319 413 HD12 LEU 50 HD12 LEU 50 0.409 36.129 -0.708 414 HD13 LEU 50 HD13 LEU 50 -0.992 36.495 0.239 415 HD21 LEU 50 HD21 LEU 50 -2.369 33.745 0.078 416 HD22 LEU 50 HD22 LEU 50 -2.332 34.712 1.592 417 HD23 LEU 50 HD23 LEU 50 -1.687 33.036 1.570 418 H GLU 51 H GLU 51 0.594 29.783 0.221 419 HA GLU 51 HA GLU 51 3.192 28.963 -0.437 420 HB2 GLU 51 HB2 GLU 51 0.410 28.161 -1.147 421 HB3 GLU 51 HB3 GLU 51 1.651 27.368 -2.046 422 HG2 GLU 51 HG2 GLU 51 2.457 26.491 0.457 423 HG3 GLU 51 HG3 GLU 51 0.914 27.270 0.943 424 H ASP 52 H ASP 52 4.268 28.713 -2.306 425 HA ASP 52 HA ASP 52 4.110 31.007 -3.849 426 HB2 ASP 52 HB2 ASP 52 5.775 28.430 -4.117 427 HB3 ASP 52 HB3 ASP 52 6.197 30.015 -4.982 428 H GLY 53 H GLY 53 3.260 27.842 -4.620 429 HA2 GLY 53 HA2 GLY 53 3.127 27.893 -7.631 430 HA3 GLY 53 HA3 GLY 53 2.789 26.531 -6.521 431 H ARG 54 H ARG 54 0.988 29.419 -5.486 432 HA ARG 54 HA ARG 54 -1.351 28.228 -6.668 433 HB2 ARG 54 HB2 ARG 54 -1.061 29.835 -4.002 434 HB3 ARG 54 HB3 ARG 54 -2.506 28.938 -4.698 435 HG2 ARG 54 HG2 ARG 54 0.070 27.613 -3.830 436 HG3 ARG 54 HG3 ARG 54 -1.232 27.833 -2.689 437 HD2 ARG 54 HD2 ARG 54 -2.844 26.496 -3.942 438 HD3 ARG 54 HD3 ARG 54 -1.850 26.469 -5.360 439 HE ARG 54 HE ARG 54 -0.221 25.272 -3.506 440 HH11 ARG 54 HH11 ARG 54 -3.410 24.228 -4.161 441 HH12 ARG 54 HH12 ARG 54 -3.298 23.010 -2.901 442 HH21 ARG 54 HH21 ARG 54 -0.305 24.225 -1.811 443 HH22 ARG 54 HH22 ARG 54 -1.248 22.826 -1.678 444 H THR 55 H THR 55 -3.107 29.836 -7.143 445 HA THR 55 HA THR 55 -1.887 32.264 -8.092 446 HB THR 55 HB THR 55 -3.819 32.629 -9.407 447 HG1 THR 55 HG1 THR 55 -4.779 30.133 -8.679 448 HG21 THR 55 HG21 THR 55 -3.480 31.046 -11.045 449 HG22 THR 55 HG22 THR 55 -3.162 29.673 -9.985 450 HG23 THR 55 HG23 THR 55 -1.947 30.990 -10.188 451 H LEU 56 H LEU 56 -2.864 34.466 -7.687 452 HA LEU 56 HA LEU 56 -4.074 34.981 -5.264 453 HB2 LEU 56 HB2 LEU 56 -4.497 36.269 -8.068 454 HB3 LEU 56 HB3 LEU 56 -5.152 37.014 -6.709 455 HG LEU 56 HG LEU 56 -2.326 36.593 -7.169 456 HD11 LEU 56 HD11 LEU 56 -2.171 38.923 -7.675 457 HD12 LEU 56 HD12 LEU 56 -3.771 39.228 -6.946 458 HD13 LEU 56 HD13 LEU 56 -3.651 38.326 -8.519 459 HD21 LEU 56 HD21 LEU 56 -2.839 36.529 -4.643 460 HD22 LEU 56 HD22 LEU 56 -3.423 38.251 -4.862 461 HD23 LEU 56 HD23 LEU 56 -1.766 37.844 -5.135 462 H SER 57 H SER 57 -5.835 33.902 -8.274 463 HA SER 57 HA SER 57 -8.323 34.259 -7.192 464 HB2 SER 57 HB2 SER 57 -8.267 34.033 -9.481 465 HB3 SER 57 HB3 SER 57 -7.063 32.802 -9.524 466 HG SER 57 HG SER 57 -8.517 31.343 -9.122 467 H ASP 58 H ASP 58 -6.100 31.456 -6.812 468 HA ASP 58 HA ASP 58 -7.795 29.471 -5.636 469 HB2 ASP 58 HB2 ASP 58 -4.851 30.272 -5.461 470 HB3 ASP 58 HB3 ASP 58 -5.484 28.794 -4.688 471 H TYR 59 H TYR 59 -5.961 32.046 -4.150 472 HA TYR 59 HA TYR 59 -6.832 31.192 -1.469 473 HB2 TYR 59 HB2 TYR 59 -4.658 32.893 -2.704 474 HB3 TYR 59 HB3 TYR 59 -5.152 33.474 -0.989 475 HD1 TYR 59 HD1 TYR 59 -2.550 32.181 -2.557 476 HD2 TYR 59 HD2 TYR 59 -5.406 30.690 0.234 477 HE1 TYR 59 HE1 TYR 59 -0.916 30.767 -1.605 478 HE2 TYR 59 HE2 TYR 59 -3.654 29.238 1.127 479 HH TYR 59 HH TYR 59 -1.571 28.618 1.081 480 H ASN 60 H ASN 60 -8.047 33.237 -4.044 481 HA ASN 60 HA ASN 60 -9.998 34.213 -4.050 482 HB2 ASN 60 HB2 ASN 60 -10.384 33.880 -1.046 483 HB3 ASN 60 HB3 ASN 60 -11.510 34.617 -2.128 484 HD21 ASN 60 HD21 ASN 60 -10.553 32.357 -4.388 485 HD22 ASN 60 HD22 ASN 60 -10.988 30.913 -3.705 486 H ILE 61 H ILE 61 -7.561 35.718 -3.961 487 HA ILE 61 HA ILE 61 -7.794 37.741 -1.989 488 HB ILE 61 HB ILE 61 -5.720 37.050 -3.984 489 HG12 ILE 61 HG12 ILE 61 -5.663 36.788 -0.899 490 HG13 ILE 61 HG13 ILE 61 -6.053 35.477 -1.925 491 HG21 ILE 61 HG21 ILE 61 -4.369 38.633 -2.558 492 HG22 ILE 61 HG22 ILE 61 -5.923 39.049 -1.800 493 HG23 ILE 61 HG23 ILE 61 -5.584 39.438 -3.599 494 HD11 ILE 61 HD11 ILE 61 -3.227 36.601 -1.588 495 HD12 ILE 61 HD12 ILE 61 -3.654 35.716 -2.985 496 HD13 ILE 61 HD13 ILE 61 -3.867 34.950 -1.425 497 H GLN 62 H GLN 62 -8.697 39.837 -2.678 498 HA GLN 62 HA GLN 62 -9.165 40.132 -5.581 499 HB2 GLN 62 HB2 GLN 62 -9.967 42.118 -3.405 500 HB3 GLN 62 HB3 GLN 62 -10.757 41.997 -4.959 501 HG2 GLN 62 HG2 GLN 62 -11.176 40.001 -2.621 502 HG3 GLN 62 HG3 GLN 62 -12.244 41.159 -3.615 503 HE21 GLN 62 HE21 GLN 62 -11.160 37.925 -3.295 504 HE22 GLN 62 HE22 GLN 62 -11.586 37.400 -4.879 505 H LYS 63 H LYS 63 -8.807 42.177 -6.743 506 HA LYS 63 HA LYS 63 -6.422 43.365 -6.372 507 HB2 LYS 63 HB2 LYS 63 -7.166 45.282 -7.510 508 HB3 LYS 63 HB3 LYS 63 -7.737 43.816 -8.282 509 HG2 LYS 63 HG2 LYS 63 -9.466 45.367 -8.576 510 HG3 LYS 63 HG3 LYS 63 -10.025 44.206 -7.287 511 HD2 LYS 63 HD2 LYS 63 -9.669 45.811 -5.531 512 HD3 LYS 63 HD3 LYS 63 -8.783 46.910 -6.658 513 HE2 LYS 63 HE2 LYS 63 -10.905 47.057 -8.038 514 HE3 LYS 63 HE3 LYS 63 -11.767 46.136 -6.762 515 HZ1 LYS 63 HZ1 LYS 63 -11.654 47.914 -5.361 516 HZ2 LYS 63 HZ2 LYS 63 -11.875 48.681 -6.865 517 HZ3 LYS 63 HZ3 LYS 63 -10.394 48.688 -6.204 518 H GLU 64 H GLU 64 -5.509 45.340 -5.466 519 HA GLU 64 HA GLU 64 -5.219 46.929 -3.933 520 HB2 GLU 64 HB2 GLU 64 -8.222 47.156 -3.922 521 HB3 GLU 64 HB3 GLU 64 -7.180 48.196 -2.902 522 HG2 GLU 64 HG2 GLU 64 -5.890 48.872 -4.861 523 HG3 GLU 64 HG3 GLU 64 -6.916 47.949 -5.930 524 H SER 65 H SER 65 -6.351 43.938 -2.687 525 HA SER 65 HA SER 65 -6.141 44.404 -0.045 526 HB2 SER 65 HB2 SER 65 -4.873 42.021 -1.566 527 HB3 SER 65 HB3 SER 65 -5.461 42.062 0.203 528 HG SER 65 HG SER 65 -6.883 42.186 -2.267 529 H THR 66 H THR 66 -4.535 44.535 1.743 530 HA THR 66 HA THR 66 -1.824 45.163 0.697 531 HB THR 66 HB THR 66 -3.060 45.514 3.398 532 HG1 THR 66 HG1 THR 66 -3.424 46.977 1.697 533 HG21 THR 66 HG21 THR 66 -0.424 45.014 3.536 534 HG22 THR 66 HG22 THR 66 -0.872 46.601 4.163 535 HG23 THR 66 HG23 THR 66 -0.239 46.377 2.441 536 H LEU 67 H LEU 67 -0.436 43.422 0.593 537 HA LEU 67 HA LEU 67 -0.857 41.156 2.468 538 HB2 LEU 67 HB2 LEU 67 1.023 41.519 -0.047 539 HB3 LEU 67 HB3 LEU 67 0.902 40.094 0.924 540 HG LEU 67 HG LEU 67 -1.434 39.774 0.266 541 HD11 LEU 67 HD11 LEU 67 -2.281 41.860 -0.695 542 HD12 LEU 67 HD12 LEU 67 -2.150 40.673 -2.027 543 HD13 LEU 67 HD13 LEU 67 -0.852 41.870 -1.798 544 HD21 LEU 67 HD21 LEU 67 0.176 38.408 -0.491 545 HD22 LEU 67 HD22 LEU 67 0.596 39.417 -1.960 546 HD23 LEU 67 HD23 LEU 67 -0.990 38.805 -1.840 547 H HIS 68 H HIS 68 1.131 40.381 3.818 548 HA HIS 68 HA HIS 68 2.862 42.722 4.038 549 HB2 HIS 68 HB2 HIS 68 2.091 40.769 6.148 550 HB3 HIS 68 HB3 HIS 68 3.494 41.906 6.193 551 HD1 HIS 68 HD1 HIS 68 -0.293 42.095 5.914 552 HD2 HIS 68 HD2 HIS 68 2.729 44.087 7.768 553 HE1 HIS 68 HE1 HIS 68 -1.338 44.171 7.048 554 H LEU 69 H LEU 69 4.938 42.501 4.069 555 HA LEU 69 HA LEU 69 6.223 39.965 3.202 556 HB2 LEU 69 HB2 LEU 69 6.184 41.754 1.610 557 HB3 LEU 69 HB3 LEU 69 7.021 42.888 2.662 558 HG LEU 69 HG LEU 69 9.159 41.387 2.262 559 HD11 LEU 69 HD11 LEU 69 7.428 39.701 0.403 560 HD12 LEU 69 HD12 LEU 69 8.138 39.046 1.958 561 HD13 LEU 69 HD13 LEU 69 9.141 39.573 0.620 562 HD21 LEU 69 HD21 LEU 69 8.670 43.086 0.537 563 HD22 LEU 69 HD22 LEU 69 7.645 41.904 -0.335 564 HD23 LEU 69 HD23 LEU 69 9.406 41.650 -0.228 565 H VAL 70 H VAL 70 7.451 39.041 4.495 566 HA VAL 70 HA VAL 70 9.374 40.578 6.228 567 HB VAL 70 HB VAL 70 8.524 37.759 6.646 568 HG11 VAL 70 HG11 VAL 70 10.232 39.665 8.484 569 HG12 VAL 70 HG12 VAL 70 10.791 38.269 7.483 570 HG13 VAL 70 HG13 VAL 70 9.727 38.041 8.865 571 HG21 VAL 70 HG21 VAL 70 8.029 40.375 8.279 572 HG22 VAL 70 HG22 VAL 70 7.243 38.758 8.630 573 HG23 VAL 70 HG23 VAL 70 6.795 39.640 7.181 574 H LEU 71 H LEU 71 11.555 39.715 5.955 575 HA LEU 71 HA LEU 71 12.182 37.893 3.859 576 HB2 LEU 71 HB2 LEU 71 13.749 40.166 5.187 577 HB3 LEU 71 HB3 LEU 71 14.404 39.261 3.901 578 HG LEU 71 HG LEU 71 11.989 41.266 4.067 579 HD11 LEU 71 HD11 LEU 71 13.521 42.665 2.607 580 HD12 LEU 71 HD12 LEU 71 14.467 41.162 2.233 581 HD13 LEU 71 HD13 LEU 71 14.351 41.930 3.909 582 HD21 LEU 71 HD21 LEU 71 11.590 41.000 1.588 583 HD22 LEU 71 HD22 LEU 71 11.017 39.702 2.682 584 HD23 LEU 71 HD23 LEU 71 12.507 39.368 1.740 585 H ARG 72 H ARG 72 13.732 36.230 4.351 586 HA ARG 72 HA ARG 72 13.564 35.249 7.044 587 HB2 ARG 72 HB2 ARG 72 14.638 34.474 4.374 588 HB3 ARG 72 HB3 ARG 72 14.930 33.239 5.636 589 HG2 ARG 72 HG2 ARG 72 12.512 33.169 6.158 590 HG3 ARG 72 HG3 ARG 72 12.308 34.351 4.785 591 HD2 ARG 72 HD2 ARG 72 13.176 32.658 3.274 592 HD3 ARG 72 HD3 ARG 72 13.631 31.598 4.634 593 HE ARG 72 HE ARG 72 11.181 31.278 5.053 594 HH11 ARG 72 HH11 ARG 72 11.656 33.131 2.129 595 HH12 ARG 72 HH12 ARG 72 10.034 32.779 1.593 596 HH21 ARG 72 HH21 ARG 72 9.316 30.655 4.170 597 HH22 ARG 72 HH22 ARG 72 8.782 31.382 2.768 598 H LEU 73 H LEU 73 15.270 35.038 8.613 599 HA LEU 73 HA LEU 73 18.048 34.969 7.619 600 HB2 LEU 73 HB2 LEU 73 16.974 36.147 10.261 601 HB3 LEU 73 HB3 LEU 73 18.726 35.889 10.014 602 HG LEU 73 HG LEU 73 16.807 37.858 8.546 603 HD11 LEU 73 HD11 LEU 73 17.573 39.632 9.764 604 HD12 LEU 73 HD12 LEU 73 18.949 38.733 10.488 605 HD13 LEU 73 HD13 LEU 73 17.228 38.367 10.961 606 HD21 LEU 73 HD21 LEU 73 18.675 37.271 7.082 607 HD22 LEU 73 HD22 LEU 73 19.849 37.525 8.358 608 HD23 LEU 73 HD23 LEU 73 18.922 38.882 7.660 609 H ARG 74 H ARG 74 15.558 33.290 8.752 610 HA ARG 74 HA ARG 74 17.258 30.971 9.136 611 HB2 ARG 74 HB2 ARG 74 15.274 31.889 11.307 612 HB3 ARG 74 HB3 ARG 74 16.036 30.276 11.218 613 HG2 ARG 74 HG2 ARG 74 17.673 32.749 11.910 614 HG3 ARG 74 HG3 ARG 74 16.836 31.606 13.012 615 HD2 ARG 74 HD2 ARG 74 18.084 29.749 12.112 616 HD3 ARG 74 HD3 ARG 74 18.867 30.770 10.852 617 HE ARG 74 HE ARG 74 19.276 32.031 13.454 618 HH11 ARG 74 HH11 ARG 74 20.467 29.108 11.974 619 HH12 ARG 74 HH12 ARG 74 21.990 29.353 12.716 620 HH21 ARG 74 HH21 ARG 74 21.180 31.955 14.620 621 HH22 ARG 74 HH22 ARG 74 22.306 30.675 14.149 622 H GLY 75 H GLY 75 16.299 29.138 8.383 623 HA2 GLY 75 HA2 GLY 75 14.649 29.060 6.405 624 HA3 GLY 75 HA3 GLY 75 14.875 27.682 7.436 625 H GLY 76 H GLY 76 12.766 28.453 5.662 626 HA2 GLY 76 HA2 GLY 76 10.559 27.711 5.845 627 HA3 GLY 76 HA3 GLY 76 10.541 28.145 7.616 Start of MODEL 20 1 H MET 1 HT1 MET 1 -4.556 44.510 -12.692 2 HA MET 1 HA MET 1 -5.573 45.916 -11.210 3 HB2 MET 1 HB2 MET 1 -7.282 45.280 -9.581 4 HB3 MET 1 HB3 MET 1 -7.666 44.225 -10.919 5 HG2 MET 1 HG2 MET 1 -6.040 43.591 -8.307 6 HG3 MET 1 HG3 MET 1 -7.796 43.375 -8.668 7 HE1 MET 1 HE1 MET 1 -5.002 40.781 -8.137 8 HE2 MET 1 HE2 MET 1 -6.254 39.715 -8.730 9 HE3 MET 1 HE3 MET 1 -6.642 41.046 -7.577 10 H GLN 2 H GLN 2 -5.054 46.692 -8.944 11 HA GLN 2 HA GLN 2 -2.331 45.880 -8.441 12 HB2 GLN 2 HB2 GLN 2 -4.033 48.153 -7.299 13 HB3 GLN 2 HB3 GLN 2 -2.355 47.865 -6.834 14 HG2 GLN 2 HG2 GLN 2 -1.514 48.460 -9.131 15 HG3 GLN 2 HG3 GLN 2 -3.274 48.384 -9.756 16 HE21 GLN 2 HE21 GLN 2 -4.595 49.973 -8.011 17 HE22 GLN 2 HE22 GLN 2 -3.866 51.555 -8.038 18 H ILE 3 H ILE 3 -1.449 45.319 -6.756 19 HA ILE 3 HA ILE 3 -3.134 44.849 -4.386 20 HB ILE 3 HB ILE 3 -1.950 42.781 -3.694 21 HG12 ILE 3 HG12 ILE 3 -1.185 42.560 -6.652 22 HG13 ILE 3 HG13 ILE 3 -0.008 43.435 -5.727 23 HG21 ILE 3 HG21 ILE 3 -4.200 42.643 -4.583 24 HG22 ILE 3 HG22 ILE 3 -3.370 41.260 -5.369 25 HG23 ILE 3 HG23 ILE 3 -3.564 42.794 -6.234 26 HD11 ILE 3 HD11 ILE 3 -0.783 40.687 -4.978 27 HD12 ILE 3 HD12 ILE 3 0.253 41.667 -3.974 28 HD13 ILE 3 HD13 ILE 3 0.705 41.159 -5.742 29 H PHE 4 H PHE 4 -1.781 44.939 -2.349 30 HA PHE 4 HA PHE 4 0.666 46.482 -2.883 31 HB2 PHE 4 HB2 PHE 4 -1.298 46.484 -0.480 32 HB3 PHE 4 HB3 PHE 4 0.125 47.541 -0.613 33 HD1 PHE 4 HD1 PHE 4 -0.079 48.568 -3.355 34 HD2 PHE 4 HD2 PHE 4 -3.107 47.775 -0.462 35 HE1 PHE 4 HE1 PHE 4 -1.594 50.205 -4.539 36 HE2 PHE 4 HE2 PHE 4 -4.640 49.498 -1.487 37 HZ PHE 4 HZ PHE 4 -3.779 50.771 -3.427 38 H VAL 5 H VAL 5 2.571 45.835 -2.155 39 HA VAL 5 HA VAL 5 2.599 43.552 -0.424 40 HB VAL 5 HB VAL 5 4.607 44.677 -2.424 41 HG11 VAL 5 HG11 VAL 5 6.050 44.005 -0.792 42 HG12 VAL 5 HG12 VAL 5 5.760 42.422 -1.578 43 HG13 VAL 5 HG13 VAL 5 4.907 42.744 -0.038 44 HG21 VAL 5 HG21 VAL 5 4.399 42.475 -3.378 45 HG22 VAL 5 HG22 VAL 5 2.818 43.278 -3.417 46 HG23 VAL 5 HG23 VAL 5 3.160 41.904 -2.292 47 H LYS 6 H LYS 6 2.902 44.113 1.663 48 HA LYS 6 HA LYS 6 4.417 46.573 2.325 49 HB2 LYS 6 HB2 LYS 6 2.059 45.637 3.770 50 HB3 LYS 6 HB3 LYS 6 3.266 46.872 4.354 51 HG2 LYS 6 HG2 LYS 6 2.923 48.066 2.188 52 HG3 LYS 6 HG3 LYS 6 1.619 46.991 1.730 53 HD2 LYS 6 HD2 LYS 6 0.682 48.886 2.630 54 HD3 LYS 6 HD3 LYS 6 0.551 47.761 4.008 55 HE2 LYS 6 HE2 LYS 6 2.430 48.563 5.268 56 HE3 LYS 6 HE3 LYS 6 2.798 49.765 3.931 57 HZ1 LYS 6 HZ1 LYS 6 0.900 50.902 4.252 58 HZ2 LYS 6 HZ2 LYS 6 1.705 50.763 5.726 59 HZ3 LYS 6 HZ3 LYS 6 0.300 49.910 5.512 60 H THR 7 H THR 7 6.543 46.466 3.044 61 HA THR 7 HA THR 7 7.613 44.154 4.196 62 HB THR 7 HB THR 7 9.694 45.546 4.606 63 HG1 THR 7 HG1 THR 7 9.486 47.718 3.679 64 HG21 THR 7 HG21 THR 7 9.043 44.799 2.248 65 HG22 THR 7 HG22 THR 7 10.124 46.218 2.376 66 HG23 THR 7 HG23 THR 7 8.391 46.373 1.990 67 H LEU 8 H LEU 8 8.718 43.986 6.365 68 HA LEU 8 HA LEU 8 6.795 44.313 8.387 69 HB2 LEU 8 HB2 LEU 8 8.596 42.552 8.277 70 HB3 LEU 8 HB3 LEU 8 9.812 43.719 8.529 71 HG LEU 8 HG LEU 8 8.954 44.236 10.747 72 HD11 LEU 8 HD11 LEU 8 6.627 42.272 10.371 73 HD12 LEU 8 HD12 LEU 8 6.517 44.030 10.718 74 HD13 LEU 8 HD13 LEU 8 7.240 42.921 11.907 75 HD21 LEU 8 HD21 LEU 8 10.127 41.905 9.781 76 HD22 LEU 8 HD22 LEU 8 8.713 41.220 10.589 77 HD23 LEU 8 HD23 LEU 8 9.905 42.109 11.573 78 H THR 9 H THR 9 9.711 46.517 7.638 79 HA THR 9 HA THR 9 8.852 48.293 9.695 80 HB THR 9 HB THR 9 10.630 49.834 8.848 81 HG1 THR 9 HG1 THR 9 11.074 47.637 7.292 82 HG21 THR 9 HG21 THR 9 12.349 48.617 9.917 83 HG22 THR 9 HG22 THR 9 11.511 47.047 9.802 84 HG23 THR 9 HG23 THR 9 10.730 48.350 10.774 85 H GLY 10 H GLY 10 7.794 48.137 6.392 86 HA2 GLY 10 HA2 GLY 10 5.517 48.948 6.349 87 HA3 GLY 10 HA3 GLY 10 6.112 50.432 7.114 88 H LYS 11 H LYS 11 7.982 49.464 4.297 89 HA LYS 11 HA LYS 11 6.813 51.493 2.635 90 HB2 LYS 11 HB2 LYS 11 9.322 50.985 2.528 91 HB3 LYS 11 HB3 LYS 11 8.921 49.273 2.296 92 HG2 LYS 11 HG2 LYS 11 8.180 49.526 0.074 93 HG3 LYS 11 HG3 LYS 11 8.041 51.260 0.178 94 HD2 LYS 11 HD2 LYS 11 10.598 51.261 0.624 95 HD3 LYS 11 HD3 LYS 11 10.494 49.467 0.246 96 HE2 LYS 11 HE2 LYS 11 9.878 50.346 -2.212 97 HE3 LYS 11 HE3 LYS 11 10.148 51.990 -1.584 98 HZ1 LYS 11 HZ1 LYS 11 12.140 49.892 -1.836 99 HZ2 LYS 11 HZ2 LYS 11 12.464 51.219 -0.954 100 HZ3 LYS 11 HZ3 LYS 11 12.116 51.380 -2.595 101 H THR 12 H THR 12 5.383 51.424 1.039 102 HA THR 12 HA THR 12 4.191 48.801 0.484 103 HB THR 12 HB THR 12 3.206 51.484 -0.393 104 HG1 THR 12 HG1 THR 12 2.930 51.209 1.852 105 HG21 THR 12 HG21 THR 12 1.908 48.704 -0.495 106 HG22 THR 12 HG22 THR 12 2.417 49.604 -1.901 107 HG23 THR 12 HG23 THR 12 1.045 50.155 -1.008 108 H ILE 13 H ILE 13 4.710 47.643 -1.129 109 HA ILE 13 HA ILE 13 5.698 49.049 -3.564 110 HB ILE 13 HB ILE 13 6.197 46.083 -2.993 111 HG12 ILE 13 HG12 ILE 13 8.625 46.860 -3.074 112 HG13 ILE 13 HG13 ILE 13 8.106 48.416 -2.394 113 HG21 ILE 13 HG21 ILE 13 5.874 46.918 -5.342 114 HG22 ILE 13 HG22 ILE 13 7.501 46.336 -5.139 115 HG23 ILE 13 HG23 ILE 13 7.173 48.101 -5.169 116 HD11 ILE 13 HD11 ILE 13 6.818 46.657 -0.592 117 HD12 ILE 13 HD12 ILE 13 8.306 47.333 -0.351 118 HD13 ILE 13 HD13 ILE 13 8.188 45.635 -1.005 119 H THR 14 H THR 14 4.296 49.318 -5.077 120 HA THR 14 HA THR 14 1.718 47.978 -4.973 121 HB THR 14 HB THR 14 2.363 50.448 -6.606 122 HG1 THR 14 HG1 THR 14 2.449 51.184 -4.762 123 HG21 THR 14 HG21 THR 14 -0.228 49.042 -5.880 124 HG22 THR 14 HG22 THR 14 0.370 49.252 -7.516 125 HG23 THR 14 HG23 THR 14 -0.141 50.722 -6.488 126 H LEU 15 H LEU 15 1.412 46.271 -6.119 127 HA LEU 15 HA LEU 15 2.999 45.774 -8.640 128 HB2 LEU 15 HB2 LEU 15 1.791 43.911 -6.729 129 HB3 LEU 15 HB3 LEU 15 2.541 43.393 -8.156 130 HG LEU 15 HG LEU 15 3.888 44.704 -5.850 131 HD11 LEU 15 HD11 LEU 15 5.331 42.709 -5.868 132 HD12 LEU 15 HD12 LEU 15 4.549 42.185 -7.364 133 HD13 LEU 15 HD13 LEU 15 3.599 42.132 -5.930 134 HD21 LEU 15 HD21 LEU 15 6.020 44.739 -7.247 135 HD22 LEU 15 HD22 LEU 15 4.803 45.968 -7.598 136 HD23 LEU 15 HD23 LEU 15 5.044 44.596 -8.755 137 H GLU 16 H GLU 16 2.054 45.383 -10.430 138 HA GLU 16 HA GLU 16 -0.870 45.334 -10.692 139 HB2 GLU 16 HB2 GLU 16 1.183 46.161 -12.649 140 HB3 GLU 16 HB3 GLU 16 -0.643 45.787 -12.930 141 HG2 GLU 16 HG2 GLU 16 -1.350 47.558 -11.707 142 HG3 GLU 16 HG3 GLU 16 0.171 47.824 -10.918 143 H VAL 17 H VAL 17 -1.810 43.303 -10.860 144 HA VAL 17 HA VAL 17 -0.401 41.444 -12.518 145 HB VAL 17 HB VAL 17 -0.609 39.562 -10.791 146 HG11 VAL 17 HG11 VAL 17 1.397 40.465 -11.124 147 HG12 VAL 17 HG12 VAL 17 1.207 40.166 -9.369 148 HG13 VAL 17 HG13 VAL 17 1.076 41.873 -9.952 149 HG21 VAL 17 HG21 VAL 17 -1.214 40.366 -8.463 150 HG22 VAL 17 HG22 VAL 17 -2.606 40.381 -9.611 151 HG23 VAL 17 HG23 VAL 17 -1.668 41.885 -9.098 152 H GLU 18 H GLU 18 -1.915 39.511 -13.069 153 HA GLU 18 HA GLU 18 -4.651 40.522 -13.143 154 HB2 GLU 18 HB2 GLU 18 -3.280 38.084 -14.370 155 HB3 GLU 18 HB3 GLU 18 -4.855 38.377 -14.762 156 HG2 GLU 18 HG2 GLU 18 -4.566 40.265 -16.058 157 HG3 GLU 18 HG3 GLU 18 -2.842 40.487 -15.492 158 HA PRO 19 HA PRO 19 -6.065 37.681 -10.125 159 HB2 PRO 19 HB2 PRO 19 -8.074 36.519 -12.157 160 HB3 PRO 19 HB3 PRO 19 -8.432 36.918 -10.455 161 HG2 PRO 19 HG2 PRO 19 -9.067 38.726 -12.350 162 HG3 PRO 19 HG3 PRO 19 -8.060 39.302 -10.930 163 HD2 PRO 19 HD2 PRO 19 -7.146 38.511 -13.758 164 HD3 PRO 19 HD3 PRO 19 -6.717 39.932 -12.737 165 H SER 20 H SER 20 -5.425 35.722 -13.093 166 HA SER 20 HA SER 20 -5.041 33.354 -11.445 167 HB2 SER 20 HB2 SER 20 -4.468 32.287 -13.752 168 HB3 SER 20 HB3 SER 20 -6.120 32.628 -13.207 169 HG SER 20 HG SER 20 -4.697 34.310 -15.067 170 H ASP 21 H ASP 21 -3.041 36.090 -12.262 171 HA ASP 21 HA ASP 21 -0.562 34.900 -12.247 172 HB2 ASP 21 HB2 ASP 21 -1.331 37.483 -11.032 173 HB3 ASP 21 HB3 ASP 21 0.355 36.997 -11.265 174 H THR 22 H THR 22 0.970 34.677 -10.489 175 HA THR 22 HA THR 22 -0.338 33.297 -8.338 176 HB THR 22 HB THR 22 1.554 31.789 -8.296 177 HG1 THR 22 HG1 THR 22 2.870 32.117 -10.324 178 HG21 THR 22 HG21 THR 22 -0.139 31.061 -9.742 179 HG22 THR 22 HG22 THR 22 1.323 30.907 -10.688 180 HG23 THR 22 HG23 THR 22 0.227 32.278 -11.017 181 H ILE 23 H ILE 23 1.162 32.852 -6.407 182 HA ILE 23 HA ILE 23 2.297 35.214 -5.238 183 HB ILE 23 HB ILE 23 2.705 32.333 -4.399 184 HG12 ILE 23 HG12 ILE 23 0.276 32.834 -4.475 185 HG13 ILE 23 HG13 ILE 23 0.944 32.867 -2.892 186 HG21 ILE 23 HG21 ILE 23 3.289 35.137 -3.345 187 HG22 ILE 23 HG22 ILE 23 4.436 33.827 -3.434 188 HG23 ILE 23 HG23 ILE 23 3.119 33.691 -2.267 189 HD11 ILE 23 HD11 ILE 23 0.404 35.454 -4.411 190 HD12 ILE 23 HD12 ILE 23 0.888 35.237 -2.607 191 HD13 ILE 23 HD13 ILE 23 -0.668 34.802 -3.208 192 H GLU 24 H GLU 24 3.562 32.467 -7.138 193 HA GLU 24 HA GLU 24 6.329 33.359 -6.816 194 HB2 GLU 24 HB2 GLU 24 6.432 31.274 -7.484 195 HB3 GLU 24 HB3 GLU 24 5.069 31.460 -8.623 196 HG2 GLU 24 HG2 GLU 24 6.583 32.318 -10.361 197 HG3 GLU 24 HG3 GLU 24 7.957 32.242 -9.136 198 H ASN 25 H ASN 25 3.952 34.354 -9.007 199 HA ASN 25 HA ASN 25 5.562 36.178 -10.594 200 HB2 ASN 25 HB2 ASN 25 2.584 36.257 -9.995 201 HB3 ASN 25 HB3 ASN 25 3.424 37.353 -11.138 202 HD21 ASN 25 HD21 ASN 25 5.301 34.783 -12.073 203 HD22 ASN 25 HD22 ASN 25 4.058 33.818 -12.812 204 H VAL 26 H VAL 26 3.801 36.634 -7.384 205 HA VAL 26 HA VAL 26 4.455 39.290 -7.309 206 HB VAL 26 HB VAL 26 3.663 37.394 -5.045 207 HG11 VAL 26 HG11 VAL 26 3.187 39.837 -4.177 208 HG12 VAL 26 HG12 VAL 26 4.631 40.237 -5.137 209 HG13 VAL 26 HG13 VAL 26 4.765 39.068 -3.798 210 HG21 VAL 26 HG21 VAL 26 2.312 39.199 -7.099 211 HG22 VAL 26 HG22 VAL 26 1.461 39.026 -5.489 212 HG23 VAL 26 HG23 VAL 26 1.809 37.650 -6.414 213 H LYS 27 H LYS 27 6.119 36.232 -5.800 214 HA LYS 27 HA LYS 27 8.124 37.607 -4.473 215 HB2 LYS 27 HB2 LYS 27 7.835 34.852 -5.510 216 HB3 LYS 27 HB3 LYS 27 9.391 35.420 -4.871 217 HG2 LYS 27 HG2 LYS 27 8.265 36.071 -2.667 218 HG3 LYS 27 HG3 LYS 27 6.781 35.396 -3.302 219 HD2 LYS 27 HD2 LYS 27 7.723 33.199 -3.708 220 HD3 LYS 27 HD3 LYS 27 9.398 33.698 -3.425 221 HE2 LYS 27 HE2 LYS 27 8.720 33.894 -0.985 222 HE3 LYS 27 HE3 LYS 27 7.057 33.423 -1.462 223 HZ1 LYS 27 HZ1 LYS 27 7.842 31.334 -2.006 224 HZ2 LYS 27 HZ2 LYS 27 8.711 31.743 -0.549 225 HZ3 LYS 27 HZ3 LYS 27 9.444 31.816 -2.027 226 H ALA 28 H ALA 28 8.185 36.405 -7.805 227 HA ALA 28 HA ALA 28 10.693 36.883 -8.686 228 HB1 ALA 28 HB1 ALA 28 7.933 36.863 -9.856 229 HB2 ALA 28 HB2 ALA 28 9.009 35.502 -9.896 230 HB3 ALA 28 HB3 ALA 28 9.362 37.010 -10.895 231 H LYS 29 H LYS 29 7.815 38.912 -8.699 232 HA LYS 29 HA LYS 29 9.058 41.189 -9.865 233 HB2 LYS 29 HB2 LYS 29 6.185 40.762 -8.688 234 HB3 LYS 29 HB3 LYS 29 6.964 42.339 -8.906 235 HG2 LYS 29 HG2 LYS 29 7.249 42.151 -11.173 236 HG3 LYS 29 HG3 LYS 29 6.717 40.451 -11.272 237 HD2 LYS 29 HD2 LYS 29 4.447 41.143 -10.611 238 HD3 LYS 29 HD3 LYS 29 5.043 42.887 -10.622 239 HE2 LYS 29 HE2 LYS 29 3.938 42.508 -12.827 240 HE3 LYS 29 HE3 LYS 29 5.666 42.438 -13.186 241 HZ1 LYS 29 HZ1 LYS 29 4.008 39.969 -12.876 242 HZ2 LYS 29 HZ2 LYS 29 5.653 40.135 -12.884 243 HZ3 LYS 29 HZ3 LYS 29 4.815 40.621 -14.250 244 H ILE 30 H ILE 30 8.878 40.232 -6.490 245 HA ILE 30 HA ILE 30 9.828 42.874 -5.913 246 HB ILE 30 HB ILE 30 9.293 40.365 -4.224 247 HG12 ILE 30 HG12 ILE 30 7.379 42.151 -5.045 248 HG13 ILE 30 HG13 ILE 30 7.368 41.503 -3.389 249 HG21 ILE 30 HG21 ILE 30 11.204 41.263 -3.322 250 HG22 ILE 30 HG22 ILE 30 9.853 41.636 -2.286 251 HG23 ILE 30 HG23 ILE 30 10.580 42.932 -3.369 252 HD11 ILE 30 HD11 ILE 30 8.480 44.177 -4.228 253 HD12 ILE 30 HD12 ILE 30 8.135 43.535 -2.522 254 HD13 ILE 30 HD13 ILE 30 6.828 43.915 -3.541 255 H GLN 31 H GLN 31 11.236 39.606 -6.475 256 HA GLN 31 HA GLN 31 13.855 40.435 -6.149 257 HB2 GLN 31 HB2 GLN 31 13.852 38.335 -6.645 258 HB3 GLN 31 HB3 GLN 31 12.308 38.489 -7.587 259 HG2 GLN 31 HG2 GLN 31 13.558 39.055 -9.585 260 HG3 GLN 31 HG3 GLN 31 15.151 39.190 -8.668 261 HE21 GLN 31 HE21 GLN 31 16.062 37.049 -7.982 262 HE22 GLN 31 HE22 GLN 31 15.311 35.560 -8.559 263 H ASP 32 H ASP 32 12.088 40.960 -9.201 264 HA ASP 32 HA ASP 32 14.021 42.319 -10.450 265 HB2 ASP 32 HB2 ASP 32 11.866 41.430 -11.469 266 HB3 ASP 32 HB3 ASP 32 10.953 42.756 -10.600 267 H LYS 33 H LYS 33 11.592 43.709 -8.097 268 HA LYS 33 HA LYS 33 12.114 46.473 -8.563 269 HB2 LYS 33 HB2 LYS 33 10.219 45.137 -6.593 270 HB3 LYS 33 HB3 LYS 33 10.606 46.879 -6.775 271 HG2 LYS 33 HG2 LYS 33 9.414 45.201 -8.982 272 HG3 LYS 33 HG3 LYS 33 8.469 46.192 -7.965 273 HD2 LYS 33 HD2 LYS 33 10.612 46.881 -9.947 274 HD3 LYS 33 HD3 LYS 33 8.899 47.360 -10.036 275 HE2 LYS 33 HE2 LYS 33 11.015 48.461 -8.171 276 HE3 LYS 33 HE3 LYS 33 10.439 49.300 -9.576 277 HZ1 LYS 33 HZ1 LYS 33 9.079 50.227 -8.243 278 HZ2 LYS 33 HZ2 LYS 33 9.317 49.169 -6.997 279 HZ3 LYS 33 HZ3 LYS 33 8.107 48.909 -8.148 280 H GLU 34 H GLU 34 12.200 44.795 -5.378 281 HA GLU 34 HA GLU 34 13.882 46.932 -4.436 282 HB2 GLU 34 HB2 GLU 34 12.759 44.381 -3.454 283 HB3 GLU 34 HB3 GLU 34 13.689 45.557 -2.325 284 HG2 GLU 34 HG2 GLU 34 11.034 45.956 -3.753 285 HG3 GLU 34 HG3 GLU 34 11.469 45.776 -2.003 286 H GLY 35 H GLY 35 14.583 44.035 -5.882 287 HA2 GLY 35 HA2 GLY 35 16.453 42.907 -6.330 288 HA3 GLY 35 HA3 GLY 35 17.342 43.864 -5.129 289 H ILE 36 H ILE 36 14.540 41.980 -4.342 290 HA ILE 36 HA ILE 36 16.222 40.807 -2.367 291 HB ILE 36 HB ILE 36 13.239 40.435 -2.603 292 HG12 ILE 36 HG12 ILE 36 14.888 42.526 -1.171 293 HG13 ILE 36 HG13 ILE 36 13.649 42.821 -2.344 294 HG21 ILE 36 HG21 ILE 36 15.335 39.881 -0.199 295 HG22 ILE 36 HG22 ILE 36 14.385 38.653 -1.045 296 HG23 ILE 36 HG23 ILE 36 13.528 39.902 -0.071 297 HD11 ILE 36 HD11 ILE 36 12.063 41.662 -0.571 298 HD12 ILE 36 HD12 ILE 36 12.549 43.444 -0.590 299 HD13 ILE 36 HD13 ILE 36 13.343 42.285 0.528 300 HA PRO 37 HA PRO 37 16.213 36.697 -4.348 301 HB2 PRO 37 HB2 PRO 37 16.861 35.934 -1.412 302 HB3 PRO 37 HB3 PRO 37 17.607 35.201 -2.873 303 HG2 PRO 37 HG2 PRO 37 18.915 37.086 -1.607 304 HG3 PRO 37 HG3 PRO 37 18.858 37.238 -3.356 305 HD2 PRO 37 HD2 PRO 37 17.236 38.691 -1.394 306 HD3 PRO 37 HD3 PRO 37 17.862 39.324 -3.097 307 HA PRO 38 HA PRO 38 11.870 35.390 -3.627 308 HB2 PRO 38 HB2 PRO 38 12.997 32.779 -5.007 309 HB3 PRO 38 HB3 PRO 38 11.461 33.572 -5.256 310 HG2 PRO 38 HG2 PRO 38 13.237 34.199 -7.040 311 HG3 PRO 38 HG3 PRO 38 12.405 35.554 -6.205 312 HD2 PRO 38 HD2 PRO 38 15.056 34.356 -5.343 313 HD3 PRO 38 HD3 PRO 38 14.800 36.070 -5.711 314 H ASP 39 H ASP 39 14.700 33.309 -2.529 315 HA ASP 39 HA ASP 39 13.076 31.722 -0.812 316 HB2 ASP 39 HB2 ASP 39 14.899 30.986 -2.159 317 HB3 ASP 39 HB3 ASP 39 16.036 31.981 -1.263 318 H GLN 40 H GLN 40 14.478 34.919 -0.416 319 HA GLN 40 HA GLN 40 14.628 34.689 2.469 320 HB2 GLN 40 HB2 GLN 40 15.089 37.008 0.408 321 HB3 GLN 40 HB3 GLN 40 15.137 37.265 2.124 322 HG2 GLN 40 HG2 GLN 40 17.117 35.307 0.828 323 HG3 GLN 40 HG3 GLN 40 17.441 37.022 1.045 324 HE21 GLN 40 HE21 GLN 40 17.068 37.765 3.403 325 HE22 GLN 40 HE22 GLN 40 17.282 36.674 4.744 326 H GLN 41 H GLN 41 12.102 35.159 0.107 327 HA GLN 41 HA GLN 41 10.852 37.350 1.639 328 HB2 GLN 41 HB2 GLN 41 10.189 35.851 -0.935 329 HB3 GLN 41 HB3 GLN 41 9.115 37.101 -0.265 330 HG2 GLN 41 HG2 GLN 41 11.003 38.866 -0.582 331 HG3 GLN 41 HG3 GLN 41 12.039 37.543 -1.141 332 HE21 GLN 41 HE21 GLN 41 12.267 38.072 -3.419 333 HE22 GLN 41 HE22 GLN 41 10.902 38.492 -4.407 334 H ARG 42 H ARG 42 9.175 36.695 3.257 335 HA ARG 42 HA ARG 42 7.637 34.269 2.596 336 HB2 ARG 42 HB2 ARG 42 8.167 35.704 5.333 337 HB3 ARG 42 HB3 ARG 42 7.012 34.371 5.056 338 HG2 ARG 42 HG2 ARG 42 8.730 33.290 6.088 339 HG3 ARG 42 HG3 ARG 42 8.596 32.806 4.317 340 HD2 ARG 42 HD2 ARG 42 10.746 34.235 3.992 341 HD3 ARG 42 HD3 ARG 42 10.688 34.665 5.740 342 HE ARG 42 HE ARG 42 11.476 32.024 4.468 343 HH11 ARG 42 HH11 ARG 42 10.798 33.548 7.648 344 HH12 ARG 42 HH12 ARG 42 11.391 32.116 8.448 345 HH21 ARG 42 HH21 ARG 42 12.127 30.304 5.714 346 HH22 ARG 42 HH22 ARG 42 11.618 30.384 7.365 347 H LEU 43 H LEU 43 5.739 35.008 1.611 348 HA LEU 43 HA LEU 43 4.800 37.693 2.289 349 HB2 LEU 43 HB2 LEU 43 5.338 37.217 -0.183 350 HB3 LEU 43 HB3 LEU 43 4.166 35.790 0.058 351 HG LEU 43 HG LEU 43 2.540 37.851 0.520 352 HD11 LEU 43 HD11 LEU 43 4.866 39.422 -0.815 353 HD12 LEU 43 HD12 LEU 43 4.480 39.600 0.795 354 HD13 LEU 43 HD13 LEU 43 3.247 40.102 -0.423 355 HD21 LEU 43 HD21 LEU 43 2.041 38.231 -1.805 356 HD22 LEU 43 HD22 LEU 43 2.468 36.526 -1.680 357 HD23 LEU 43 HD23 LEU 43 3.744 37.631 -2.265 358 H ILE 44 H ILE 44 2.785 37.758 3.551 359 HA ILE 44 HA ILE 44 1.582 35.229 4.304 360 HB ILE 44 HB ILE 44 2.301 37.540 5.936 361 HG12 ILE 44 HG12 ILE 44 3.304 34.884 6.822 362 HG13 ILE 44 HG13 ILE 44 4.063 35.324 5.357 363 HG21 ILE 44 HG21 ILE 44 1.619 36.257 7.898 364 HG22 ILE 44 HG22 ILE 44 0.789 35.062 6.819 365 HG23 ILE 44 HG23 ILE 44 0.194 36.729 7.010 366 HD11 ILE 44 HD11 ILE 44 5.422 36.231 6.917 367 HD12 ILE 44 HD12 ILE 44 4.023 36.933 7.873 368 HD13 ILE 44 HD13 ILE 44 4.413 37.641 6.319 369 H PHE 45 H PHE 45 -0.669 35.162 4.346 370 HA PHE 45 HA PHE 45 -2.178 37.583 4.745 371 HB2 PHE 45 HB2 PHE 45 -1.966 37.479 2.334 372 HB3 PHE 45 HB3 PHE 45 -2.695 35.816 2.355 373 HD1 PHE 45 HD1 PHE 45 -3.441 39.372 3.246 374 HD2 PHE 45 HD2 PHE 45 -4.960 35.503 2.181 375 HE1 PHE 45 HE1 PHE 45 -5.752 40.332 2.822 376 HE2 PHE 45 HE2 PHE 45 -7.315 36.495 1.964 377 HZ PHE 45 HZ PHE 45 -7.585 38.901 2.199 378 H ALA 46 H ALA 46 -4.143 37.044 5.510 379 HA ALA 46 HA ALA 46 -5.332 36.083 7.113 380 HB1 ALA 46 HB1 ALA 46 -6.754 34.095 6.220 381 HB2 ALA 46 HB2 ALA 46 -5.321 33.505 5.322 382 HB3 ALA 46 HB3 ALA 46 -6.097 34.916 4.756 383 H GLY 47 H GLY 47 -2.743 35.860 7.868 384 HA2 GLY 47 HA2 GLY 47 -1.772 35.020 9.620 385 HA3 GLY 47 HA3 GLY 47 -3.027 33.842 9.892 386 H LYS 48 H LYS 48 -1.566 33.518 6.785 387 HA LYS 48 HA LYS 48 0.477 31.652 7.906 388 HB2 LYS 48 HB2 LYS 48 -0.409 29.695 6.742 389 HB3 LYS 48 HB3 LYS 48 -1.730 30.365 7.856 390 HG2 LYS 48 HG2 LYS 48 -2.589 31.415 5.775 391 HG3 LYS 48 HG3 LYS 48 -1.343 30.602 4.797 392 HD2 LYS 48 HD2 LYS 48 -2.219 28.456 5.361 393 HD3 LYS 48 HD3 LYS 48 -3.311 29.076 6.675 394 HE2 LYS 48 HE2 LYS 48 -4.375 28.361 4.577 395 HE3 LYS 48 HE3 LYS 48 -4.799 30.044 5.026 396 HZ1 LYS 48 HZ1 LYS 48 -3.472 30.784 3.412 397 HZ2 LYS 48 HZ2 LYS 48 -4.210 29.471 2.586 398 HZ3 LYS 48 HZ3 LYS 48 -2.594 29.387 3.095 399 H GLN 49 H GLN 49 2.037 31.034 6.307 400 HA GLN 49 HA GLN 49 2.683 32.956 4.332 401 HB2 GLN 49 HB2 GLN 49 3.847 30.123 4.732 402 HB3 GLN 49 HB3 GLN 49 4.441 31.303 3.614 403 HG2 GLN 49 HG2 GLN 49 5.904 31.196 5.573 404 HG3 GLN 49 HG3 GLN 49 5.075 32.775 5.444 405 HE21 GLN 49 HE21 GLN 49 4.124 29.680 6.958 406 HE22 GLN 49 HE22 GLN 49 3.706 30.441 8.439 407 H LEU 50 H LEU 50 1.919 33.180 2.397 408 HA LEU 50 HA LEU 50 0.450 31.304 0.902 409 HB2 LEU 50 HB2 LEU 50 1.919 33.764 -0.189 410 HB3 LEU 50 HB3 LEU 50 0.576 32.894 -0.802 411 HG LEU 50 HG LEU 50 0.572 34.487 1.868 412 HD11 LEU 50 HD11 LEU 50 -0.945 35.983 0.596 413 HD12 LEU 50 HD12 LEU 50 -0.658 34.905 -0.850 414 HD13 LEU 50 HD13 LEU 50 0.569 36.037 -0.159 415 HD21 LEU 50 HD21 LEU 50 -1.725 34.171 1.848 416 HD22 LEU 50 HD22 LEU 50 -0.953 32.566 2.136 417 HD23 LEU 50 HD23 LEU 50 -1.687 32.907 0.578 418 H GLU 51 H GLU 51 0.892 30.231 -0.962 419 HA GLU 51 HA GLU 51 3.660 29.259 -0.936 420 HB2 GLU 51 HB2 GLU 51 0.986 28.127 -1.823 421 HB3 GLU 51 HB3 GLU 51 2.557 27.174 -2.076 422 HG2 GLU 51 HG2 GLU 51 2.904 27.410 0.329 423 HG3 GLU 51 HG3 GLU 51 1.279 27.924 0.611 424 H ASP 52 H ASP 52 4.811 29.135 -3.058 425 HA ASP 52 HA ASP 52 4.373 31.123 -4.938 426 HB2 ASP 52 HB2 ASP 52 5.912 28.456 -5.110 427 HB3 ASP 52 HB3 ASP 52 6.081 29.802 -6.217 428 H GLY 53 H GLY 53 3.469 27.774 -5.473 429 HA2 GLY 53 HA2 GLY 53 2.642 28.190 -8.079 430 HA3 GLY 53 HA3 GLY 53 2.313 26.759 -6.984 431 H ARG 54 H ARG 54 0.873 28.991 -5.273 432 HA ARG 54 HA ARG 54 -1.802 28.520 -6.527 433 HB2 ARG 54 HB2 ARG 54 -0.911 29.862 -4.119 434 HB3 ARG 54 HB3 ARG 54 -2.570 29.319 -4.468 435 HG2 ARG 54 HG2 ARG 54 -0.082 27.759 -3.682 436 HG3 ARG 54 HG3 ARG 54 -1.524 27.933 -2.675 437 HD2 ARG 54 HD2 ARG 54 -2.635 26.338 -4.165 438 HD3 ARG 54 HD3 ARG 54 -1.212 26.385 -5.306 439 HE ARG 54 HE ARG 54 0.018 25.745 -2.982 440 HH11 ARG 54 HH11 ARG 54 -2.419 23.900 -4.508 441 HH12 ARG 54 HH12 ARG 54 -2.427 22.782 -3.214 442 HH21 ARG 54 HH21 ARG 54 -0.128 24.289 -1.451 443 HH22 ARG 54 HH22 ARG 54 -1.277 22.949 -1.520 444 H THR 55 H THR 55 -3.276 30.206 -6.503 445 HA THR 55 HA THR 55 -2.106 32.511 -7.923 446 HB THR 55 HB THR 55 -4.310 33.016 -8.903 447 HG1 THR 55 HG1 THR 55 -5.093 30.519 -7.821 448 HG21 THR 55 HG21 THR 55 -3.548 30.058 -9.289 449 HG22 THR 55 HG22 THR 55 -2.573 31.460 -9.863 450 HG23 THR 55 HG23 THR 55 -4.208 31.160 -10.548 451 H LEU 56 H LEU 56 -3.150 34.718 -7.620 452 HA LEU 56 HA LEU 56 -4.051 35.429 -5.043 453 HB2 LEU 56 HB2 LEU 56 -3.916 36.514 -7.861 454 HB3 LEU 56 HB3 LEU 56 -4.746 37.597 -6.680 455 HG LEU 56 HG LEU 56 -2.752 38.517 -6.628 456 HD11 LEU 56 HD11 LEU 56 -1.306 37.913 -4.938 457 HD12 LEU 56 HD12 LEU 56 -1.835 36.234 -4.848 458 HD13 LEU 56 HD13 LEU 56 -2.906 37.627 -4.287 459 HD21 LEU 56 HD21 LEU 56 -1.383 35.837 -7.344 460 HD22 LEU 56 HD22 LEU 56 -0.517 37.342 -6.957 461 HD23 LEU 56 HD23 LEU 56 -1.668 37.318 -8.331 462 H SER 57 H SER 57 -5.833 34.386 -7.965 463 HA SER 57 HA SER 57 -8.280 34.637 -6.804 464 HB2 SER 57 HB2 SER 57 -7.812 32.317 -8.771 465 HB3 SER 57 HB3 SER 57 -9.288 33.224 -8.401 466 HG SER 57 HG SER 57 -7.108 34.412 -9.497 467 H ASP 58 H ASP 58 -6.089 31.874 -6.311 468 HA ASP 58 HA ASP 58 -7.837 30.355 -5.037 469 HB2 ASP 58 HB2 ASP 58 -4.784 30.325 -4.628 470 HB3 ASP 58 HB3 ASP 58 -5.905 29.056 -4.051 471 H TYR 59 H TYR 59 -5.816 32.961 -3.700 472 HA TYR 59 HA TYR 59 -6.848 32.418 -1.023 473 HB2 TYR 59 HB2 TYR 59 -4.804 34.452 -2.086 474 HB3 TYR 59 HB3 TYR 59 -5.216 34.183 -0.411 475 HD1 TYR 59 HD1 TYR 59 -2.835 33.324 -2.789 476 HD2 TYR 59 HD2 TYR 59 -5.044 31.390 0.347 477 HE1 TYR 59 HE1 TYR 59 -0.942 31.786 -2.318 478 HE2 TYR 59 HE2 TYR 59 -3.471 29.704 0.490 479 HH TYR 59 HH TYR 59 -1.515 28.727 -0.286 480 H ASN 60 H ASN 60 -7.859 34.080 -3.659 481 HA ASN 60 HA ASN 60 -9.571 35.598 -4.110 482 HB2 ASN 60 HB2 ASN 60 -10.679 33.993 -2.588 483 HB3 ASN 60 HB3 ASN 60 -10.719 35.191 -1.250 484 HD21 ASN 60 HD21 ASN 60 -11.997 34.323 -4.297 485 HD22 ASN 60 HD22 ASN 60 -13.335 35.509 -4.297 486 H ILE 61 H ILE 61 -7.658 36.974 -4.177 487 HA ILE 61 HA ILE 61 -7.544 39.123 -2.176 488 HB ILE 61 HB ILE 61 -5.724 38.290 -4.422 489 HG12 ILE 61 HG12 ILE 61 -5.696 36.487 -2.999 490 HG13 ILE 61 HG13 ILE 61 -4.301 37.381 -2.820 491 HG21 ILE 61 HG21 ILE 61 -5.570 40.735 -3.825 492 HG22 ILE 61 HG22 ILE 61 -4.206 39.806 -3.013 493 HG23 ILE 61 HG23 ILE 61 -5.594 40.415 -2.069 494 HD11 ILE 61 HD11 ILE 61 -5.121 38.287 -0.562 495 HD12 ILE 61 HD12 ILE 61 -5.169 36.512 -0.617 496 HD13 ILE 61 HD13 ILE 61 -6.655 37.346 -0.783 497 H GLN 62 H GLN 62 -8.884 40.497 -2.485 498 HA GLN 62 HA GLN 62 -10.043 41.519 -4.887 499 HB2 GLN 62 HB2 GLN 62 -10.210 42.378 -1.917 500 HB3 GLN 62 HB3 GLN 62 -11.227 42.980 -3.193 501 HG2 GLN 62 HG2 GLN 62 -11.036 40.177 -2.099 502 HG3 GLN 62 HG3 GLN 62 -12.439 41.248 -2.207 503 HE21 GLN 62 HE21 GLN 62 -11.476 38.391 -3.397 504 HE22 GLN 62 HE22 GLN 62 -11.963 38.444 -5.033 505 H LYS 63 H LYS 63 -10.359 43.877 -5.251 506 HA LYS 63 HA LYS 63 -7.866 44.538 -6.215 507 HB2 LYS 63 HB2 LYS 63 -9.832 45.080 -7.504 508 HB3 LYS 63 HB3 LYS 63 -10.476 46.069 -6.179 509 HG2 LYS 63 HG2 LYS 63 -8.795 47.754 -6.537 510 HG3 LYS 63 HG3 LYS 63 -8.266 46.932 -8.029 511 HD2 LYS 63 HD2 LYS 63 -10.622 47.342 -8.891 512 HD3 LYS 63 HD3 LYS 63 -11.129 47.870 -7.280 513 HE2 LYS 63 HE2 LYS 63 -9.070 49.502 -9.070 514 HE3 LYS 63 HE3 LYS 63 -10.787 49.813 -9.066 515 HZ1 LYS 63 HZ1 LYS 63 -8.718 50.204 -7.060 516 HZ2 LYS 63 HZ2 LYS 63 -10.338 50.039 -6.487 517 HZ3 LYS 63 HZ3 LYS 63 -9.969 51.249 -7.624 518 H GLU 64 H GLU 64 -6.236 45.329 -5.085 519 HA GLU 64 HA GLU 64 -4.980 46.886 -4.128 520 HB2 GLU 64 HB2 GLU 64 -7.581 48.555 -3.936 521 HB3 GLU 64 HB3 GLU 64 -6.073 49.067 -3.139 522 HG2 GLU 64 HG2 GLU 64 -4.881 49.296 -5.103 523 HG3 GLU 64 HG3 GLU 64 -6.022 48.296 -6.025 524 H SER 65 H SER 65 -6.190 44.515 -2.911 525 HA SER 65 HA SER 65 -6.100 45.053 -0.081 526 HB2 SER 65 HB2 SER 65 -7.279 43.200 -1.549 527 HB3 SER 65 HB3 SER 65 -5.810 42.405 -1.842 528 HG SER 65 HG SER 65 -7.375 42.006 0.152 529 H THR 66 H THR 66 -4.555 44.200 1.530 530 HA THR 66 HA THR 66 -1.823 44.651 0.477 531 HB THR 66 HB THR 66 -2.809 44.624 3.308 532 HG1 THR 66 HG1 THR 66 -3.710 46.376 1.990 533 HG21 THR 66 HG21 THR 66 -0.595 46.089 3.398 534 HG22 THR 66 HG22 THR 66 -0.310 45.660 1.791 535 HG23 THR 66 HG23 THR 66 -0.387 44.320 3.073 536 H LEU 67 H LEU 67 -0.603 42.627 0.188 537 HA LEU 67 HA LEU 67 -0.853 40.692 2.339 538 HB2 LEU 67 HB2 LEU 67 0.945 40.220 -0.022 539 HB3 LEU 67 HB3 LEU 67 0.020 39.108 1.044 540 HG LEU 67 HG LEU 67 -1.303 41.029 -1.125 541 HD11 LEU 67 HD11 LEU 67 0.401 39.878 -2.449 542 HD12 LEU 67 HD12 LEU 67 -1.191 39.240 -2.738 543 HD13 LEU 67 HD13 LEU 67 -0.070 38.309 -1.726 544 HD21 LEU 67 HD21 LEU 67 -2.772 39.764 0.394 545 HD22 LEU 67 HD22 LEU 67 -1.890 38.190 -0.065 546 HD23 LEU 67 HD23 LEU 67 -2.939 39.151 -1.135 547 H HIS 68 H HIS 68 0.908 40.071 3.583 548 HA HIS 68 HA HIS 68 2.611 42.313 4.175 549 HB2 HIS 68 HB2 HIS 68 1.851 39.839 5.729 550 HB3 HIS 68 HB3 HIS 68 3.015 41.049 6.314 551 HD1 HIS 68 HD1 HIS 68 0.210 40.267 7.434 552 HD2 HIS 68 HD2 HIS 68 0.803 43.429 4.847 553 HE1 HIS 68 HE1 HIS 68 -1.897 41.706 7.554 554 H LEU 69 H LEU 69 4.839 42.127 4.003 555 HA LEU 69 HA LEU 69 6.006 39.602 3.200 556 HB2 LEU 69 HB2 LEU 69 5.943 41.381 1.331 557 HB3 LEU 69 HB3 LEU 69 6.914 42.352 2.403 558 HG LEU 69 HG LEU 69 8.605 40.522 2.434 559 HD11 LEU 69 HD11 LEU 69 8.675 38.895 0.589 560 HD12 LEU 69 HD12 LEU 69 7.193 39.605 -0.071 561 HD13 LEU 69 HD13 LEU 69 7.032 38.709 1.484 562 HD21 LEU 69 HD21 LEU 69 9.441 40.945 0.022 563 HD22 LEU 69 HD22 LEU 69 9.132 42.423 1.019 564 HD23 LEU 69 HD23 LEU 69 8.110 42.116 -0.289 565 H VAL 70 H VAL 70 7.525 38.841 4.352 566 HA VAL 70 HA VAL 70 8.849 40.535 6.308 567 HB VAL 70 HB VAL 70 7.622 37.769 6.872 568 HG11 VAL 70 HG11 VAL 70 9.926 38.027 8.026 569 HG12 VAL 70 HG12 VAL 70 8.480 37.916 9.149 570 HG13 VAL 70 HG13 VAL 70 9.314 39.491 8.757 571 HG21 VAL 70 HG21 VAL 70 7.051 40.546 7.995 572 HG22 VAL 70 HG22 VAL 70 6.462 38.946 8.755 573 HG23 VAL 70 HG23 VAL 70 5.949 39.548 7.090 574 H LEU 71 H LEU 71 10.917 39.608 6.715 575 HA LEU 71 HA LEU 71 11.744 38.103 4.341 576 HB2 LEU 71 HB2 LEU 71 13.404 40.086 5.972 577 HB3 LEU 71 HB3 LEU 71 14.145 39.157 4.701 578 HG LEU 71 HG LEU 71 11.720 41.078 4.389 579 HD11 LEU 71 HD11 LEU 71 13.265 42.548 3.125 580 HD12 LEU 71 HD12 LEU 71 14.671 41.526 3.720 581 HD13 LEU 71 HD13 LEU 71 13.642 42.455 4.867 582 HD21 LEU 71 HD21 LEU 71 13.468 39.866 2.100 583 HD22 LEU 71 HD22 LEU 71 11.950 40.902 1.982 584 HD23 LEU 71 HD23 LEU 71 11.876 39.235 2.603 585 H ARG 72 H ARG 72 13.365 36.283 4.586 586 HA ARG 72 HA ARG 72 13.626 35.086 7.095 587 HB2 ARG 72 HB2 ARG 72 13.926 33.630 5.288 588 HB3 ARG 72 HB3 ARG 72 15.299 34.619 4.612 589 HG2 ARG 72 HG2 ARG 72 16.742 33.763 6.543 590 HG3 ARG 72 HG3 ARG 72 15.297 32.987 7.212 591 HD2 ARG 72 HD2 ARG 72 16.759 31.389 6.257 592 HD3 ARG 72 HD3 ARG 72 15.209 31.372 5.410 593 HE ARG 72 HE ARG 72 17.207 33.163 4.223 594 HH11 ARG 72 HH11 ARG 72 15.896 29.888 3.737 595 HH12 ARG 72 HH12 ARG 72 15.733 30.233 2.012 596 HH21 ARG 72 HH21 ARG 72 17.267 33.197 2.107 597 HH22 ARG 72 HH22 ARG 72 16.770 31.694 1.221 598 H LEU 73 H LEU 73 14.804 35.083 8.855 599 HA LEU 73 HA LEU 73 16.834 37.188 8.877 600 HB2 LEU 73 HB2 LEU 73 15.542 35.537 11.226 601 HB3 LEU 73 HB3 LEU 73 16.854 36.685 11.330 602 HG LEU 73 HG LEU 73 15.338 38.438 10.491 603 HD11 LEU 73 HD11 LEU 73 12.933 38.295 10.737 604 HD12 LEU 73 HD12 LEU 73 13.139 36.469 10.866 605 HD13 LEU 73 HD13 LEU 73 13.489 37.314 9.356 606 HD21 LEU 73 HD21 LEU 73 14.487 38.820 12.704 607 HD22 LEU 73 HD22 LEU 73 16.033 37.905 12.879 608 HD23 LEU 73 HD23 LEU 73 14.497 37.021 13.092 609 H ARG 74 H ARG 74 19.041 36.721 8.850 610 HA ARG 74 HA ARG 74 19.985 33.991 8.962 611 HB2 ARG 74 HB2 ARG 74 21.151 36.592 8.093 612 HB3 ARG 74 HB3 ARG 74 21.836 34.985 7.911 613 HG2 ARG 74 HG2 ARG 74 19.962 34.301 6.311 614 HG3 ARG 74 HG3 ARG 74 19.361 35.973 6.459 615 HD2 ARG 74 HD2 ARG 74 21.410 36.870 5.385 616 HD3 ARG 74 HD3 ARG 74 22.123 35.325 5.425 617 HE ARG 74 HE ARG 74 20.455 34.436 3.887 618 HH11 ARG 74 HH11 ARG 74 21.416 37.862 3.543 619 HH12 ARG 74 HH12 ARG 74 21.238 37.688 1.871 620 HH21 ARG 74 HH21 ARG 74 20.490 34.374 1.756 621 HH22 ARG 74 HH22 ARG 74 21.096 35.800 0.977 622 H GLY 75 H GLY 75 21.246 33.305 10.285 623 HA2 GLY 75 HA2 GLY 75 23.110 33.748 12.136 624 HA3 GLY 75 HA3 GLY 75 21.965 35.027 12.606 625 H GLY 76 H GLY 76 21.494 34.119 14.731 626 HA2 GLY 76 HA2 GLY 76 19.730 31.751 14.574 627 HA3 GLY 76 HA3 GLY 76 20.824 32.205 15.892
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