NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
557419 | 2lyq | 17896 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 10.388 6.492 -6.411 2 HA MET 1 HA MET 1 12.460 5.308 -8.092 3 HB2 MET 1 HB2 MET 1 12.568 8.105 -6.938 4 HB3 MET 1 HB3 MET 1 13.972 7.251 -7.579 5 HG2 MET 1 HG2 MET 1 11.446 7.902 -9.119 6 HG3 MET 1 HG3 MET 1 12.988 8.744 -9.288 7 HE1 MET 1 HE1 MET 1 15.344 6.521 -10.959 8 HE2 MET 1 HE2 MET 1 15.189 6.114 -9.245 9 HE3 MET 1 HE3 MET 1 15.075 7.790 -9.773 10 H ILE 2 H ILE 2 12.064 7.112 -5.052 11 HA ILE 2 HA ILE 2 13.507 4.923 -3.654 12 HB ILE 2 HB ILE 2 13.165 7.827 -2.841 13 HG12 ILE 2 HG12 ILE 2 15.664 6.387 -3.804 14 HG13 ILE 2 HG13 ILE 2 14.676 7.419 -4.836 15 HG21 ILE 2 HG21 ILE 2 15.174 6.948 -1.321 16 HG22 ILE 2 HG22 ILE 2 14.345 5.408 -1.518 17 HG23 ILE 2 HG23 ILE 2 13.498 6.790 -0.816 18 HD11 ILE 2 HD11 ILE 2 15.007 9.178 -2.871 19 HD12 ILE 2 HD12 ILE 2 16.263 8.926 -4.090 20 HD13 ILE 2 HD13 ILE 2 16.401 8.156 -2.518 21 H ILE 3 H ILE 3 11.995 3.611 -2.842 22 HA ILE 3 HA ILE 3 10.015 2.838 -2.165 23 HB ILE 3 HB ILE 3 9.365 3.584 0.145 24 HG12 ILE 3 HG12 ILE 3 11.851 5.335 -0.103 25 HG13 ILE 3 HG13 ILE 3 10.209 5.968 -0.024 26 HG21 ILE 3 HG21 ILE 3 11.206 2.461 1.144 27 HG22 ILE 3 HG22 ILE 3 12.329 3.072 -0.049 28 HG23 ILE 3 HG23 ILE 3 11.170 1.818 -0.498 29 HD11 ILE 3 HD11 ILE 3 11.077 6.061 2.183 30 HD12 ILE 3 HD12 ILE 3 11.673 4.400 2.081 31 HD13 ILE 3 HD13 ILE 3 9.938 4.711 2.134 32 H ASN 4 H ASN 4 9.623 6.297 -1.524 33 HA ASN 4 HA ASN 4 7.931 7.770 -2.019 34 HB2 ASN 4 HB2 ASN 4 7.914 6.064 -4.509 35 HB3 ASN 4 HB3 ASN 4 7.151 7.639 -4.335 36 HD21 ASN 4 HD21 ASN 4 9.109 9.106 -2.910 37 HD22 ASN 4 HD22 ASN 4 10.511 9.158 -3.849 38 H ASN 5 H ASN 5 6.718 4.590 -3.081 39 HA ASN 5 HA ASN 5 4.146 5.310 -1.829 40 HB2 ASN 5 HB2 ASN 5 4.273 6.022 -4.238 41 HB3 ASN 5 HB3 ASN 5 4.321 4.313 -4.655 42 HD21 ASN 5 HD21 ASN 5 2.214 6.923 -3.951 43 HD22 ASN 5 HD22 ASN 5 0.801 6.011 -3.755 44 H LEU 6 H LEU 6 2.543 3.603 -1.940 45 HA LEU 6 HA LEU 6 3.388 1.188 -0.760 46 HB2 LEU 6 HB2 LEU 6 1.086 2.439 -0.718 47 HB3 LEU 6 HB3 LEU 6 0.756 1.574 -2.199 48 HG LEU 6 HG LEU 6 -0.165 0.326 -0.348 49 HD11 LEU 6 HD11 LEU 6 1.146 -0.874 -2.247 50 HD12 LEU 6 HD12 LEU 6 0.623 -1.758 -0.825 51 HD13 LEU 6 HD13 LEU 6 2.308 -1.248 -0.957 52 HD21 LEU 6 HD21 LEU 6 2.167 1.226 1.045 53 HD22 LEU 6 HD22 LEU 6 2.175 -0.543 1.072 54 HD23 LEU 6 HD23 LEU 6 0.781 0.352 1.673 55 H LYS 7 H LYS 7 2.358 2.040 -4.052 56 HA LYS 7 HA LYS 7 2.403 -0.591 -5.139 57 HB2 LYS 7 HB2 LYS 7 3.297 1.269 -7.160 58 HB3 LYS 7 HB3 LYS 7 1.775 0.427 -7.033 59 HG2 LYS 7 HG2 LYS 7 2.442 3.049 -5.679 60 HG3 LYS 7 HG3 LYS 7 1.532 2.845 -7.153 61 HD2 LYS 7 HD2 LYS 7 -0.211 1.537 -5.949 62 HD3 LYS 7 HD3 LYS 7 0.644 1.765 -4.426 63 HE2 LYS 7 HE2 LYS 7 0.473 4.361 -5.271 64 HE3 LYS 7 HE3 LYS 7 -0.943 3.711 -6.024 65 HZ1 LYS 7 HZ1 LYS 7 -1.776 4.249 -4.022 66 HZ2 LYS 7 HZ2 LYS 7 -0.354 4.016 -3.194 67 HZ3 LYS 7 HZ3 LYS 7 -1.318 2.667 -3.567 68 H LEU 8 H LEU 8 4.791 1.933 -4.901 69 HA LEU 8 HA LEU 8 6.789 0.774 -6.422 70 HB2 LEU 8 HB2 LEU 8 6.754 2.803 -4.234 71 HB3 LEU 8 HB3 LEU 8 8.312 2.245 -4.822 72 HG LEU 8 HG LEU 8 7.150 4.357 -5.881 73 HD11 LEU 8 HD11 LEU 8 8.236 3.836 -8.059 74 HD12 LEU 8 HD12 LEU 8 8.480 2.182 -7.507 75 HD13 LEU 8 HD13 LEU 8 9.256 3.526 -6.659 76 HD21 LEU 8 HD21 LEU 8 5.905 2.138 -7.576 77 HD22 LEU 8 HD22 LEU 8 5.806 3.863 -7.851 78 HD23 LEU 8 HD23 LEU 8 4.989 3.183 -6.475 79 H ILE 9 H ILE 9 6.114 0.534 -2.954 80 HA ILE 9 HA ILE 9 8.283 -1.275 -2.383 81 HB ILE 9 HB ILE 9 5.645 -1.067 -0.888 82 HG12 ILE 9 HG12 ILE 9 6.703 1.202 -0.983 83 HG13 ILE 9 HG13 ILE 9 6.866 0.510 0.617 84 HG21 ILE 9 HG21 ILE 9 6.920 -1.972 0.991 85 HG22 ILE 9 HG22 ILE 9 8.395 -1.900 0.036 86 HG23 ILE 9 HG23 ILE 9 7.157 -3.048 -0.396 87 HD11 ILE 9 HD11 ILE 9 8.994 0.787 -1.484 88 HD12 ILE 9 HD12 ILE 9 9.153 -0.421 -0.204 89 HD13 ILE 9 HD13 ILE 9 9.014 1.284 0.206 90 H ARG 10 H ARG 10 4.891 -1.567 -3.220 91 HA ARG 10 HA ARG 10 4.590 -4.306 -2.794 92 HB2 ARG 10 HB2 ARG 10 2.848 -2.306 -3.441 93 HB3 ARG 10 HB3 ARG 10 3.007 -3.126 -4.976 94 HG2 ARG 10 HG2 ARG 10 1.270 -4.310 -3.968 95 HG3 ARG 10 HG3 ARG 10 2.678 -5.314 -3.655 96 HD2 ARG 10 HD2 ARG 10 1.111 -3.635 -1.757 97 HD3 ARG 10 HD3 ARG 10 1.828 -5.227 -1.557 98 HE ARG 10 HE ARG 10 3.438 -2.735 -1.648 99 HH11 ARG 10 HH11 ARG 10 2.559 -5.730 -0.169 100 HH12 ARG 10 HH12 ARG 10 3.796 -5.839 0.969 101 HH21 ARG 10 HH21 ARG 10 5.232 -2.748 -0.135 102 HH22 ARG 10 HH22 ARG 10 5.440 -3.992 0.986 103 H GLU 11 H GLU 11 5.370 -2.661 -5.835 104 HA GLU 11 HA GLU 11 5.256 -4.913 -7.457 105 HB2 GLU 11 HB2 GLU 11 6.680 -3.716 -9.019 106 HB3 GLU 11 HB3 GLU 11 5.479 -2.614 -8.332 107 HG2 GLU 11 HG2 GLU 11 7.125 -1.814 -6.715 108 HG3 GLU 11 HG3 GLU 11 8.363 -2.873 -7.389 109 H LYS 12 H LYS 12 7.795 -3.776 -5.366 110 HA LYS 12 HA LYS 12 9.901 -5.343 -6.293 111 HB2 LYS 12 HB2 LYS 12 9.406 -4.571 -3.402 112 HB3 LYS 12 HB3 LYS 12 10.950 -4.971 -4.139 113 HG2 LYS 12 HG2 LYS 12 9.189 -2.646 -4.851 114 HG3 LYS 12 HG3 LYS 12 10.721 -2.533 -3.997 115 HD2 LYS 12 HD2 LYS 12 11.886 -3.488 -5.960 116 HD3 LYS 12 HD3 LYS 12 10.383 -3.527 -6.875 117 HE2 LYS 12 HE2 LYS 12 11.977 -1.170 -5.939 118 HE3 LYS 12 HE3 LYS 12 11.411 -1.631 -7.551 119 HZ1 LYS 12 HZ1 LYS 12 9.400 -0.664 -7.255 120 HZ2 LYS 12 HZ2 LYS 12 10.160 0.210 -6.072 121 HZ3 LYS 12 HZ3 LYS 12 9.212 -1.111 -5.652 122 H LYS 13 H LYS 13 7.325 -6.066 -3.994 123 HA LYS 13 HA LYS 13 8.305 -8.823 -3.830 124 HB2 LYS 13 HB2 LYS 13 6.807 -9.169 -1.952 125 HB3 LYS 13 HB3 LYS 13 7.846 -7.767 -1.679 126 HG2 LYS 13 HG2 LYS 13 6.030 -6.241 -2.273 127 HG3 LYS 13 HG3 LYS 13 4.983 -7.582 -2.698 128 HD2 LYS 13 HD2 LYS 13 4.288 -7.148 -0.540 129 HD3 LYS 13 HD3 LYS 13 5.428 -8.431 -0.277 130 HE2 LYS 13 HE2 LYS 13 6.502 -5.595 -0.182 131 HE3 LYS 13 HE3 LYS 13 5.574 -6.214 1.149 132 HZ1 LYS 13 HZ1 LYS 13 8.237 -6.751 0.654 133 HZ2 LYS 13 HZ2 LYS 13 7.443 -8.212 0.417 134 HZ3 LYS 13 HZ3 LYS 13 7.262 -7.367 1.874 135 H LYS 14 H LYS 14 6.710 -7.324 -5.958 136 HA LYS 14 HA LYS 14 5.352 -7.938 -7.704 137 HB2 LYS 14 HB2 LYS 14 5.630 -10.773 -6.709 138 HB3 LYS 14 HB3 LYS 14 5.419 -10.205 -8.354 139 HG2 LYS 14 HG2 LYS 14 7.849 -9.548 -6.667 140 HG3 LYS 14 HG3 LYS 14 7.803 -10.889 -7.785 141 HD2 LYS 14 HD2 LYS 14 7.138 -8.071 -8.751 142 HD3 LYS 14 HD3 LYS 14 8.784 -8.617 -8.609 143 HE2 LYS 14 HE2 LYS 14 6.640 -9.869 -10.348 144 HE3 LYS 14 HE3 LYS 14 8.131 -9.100 -10.867 145 HZ1 LYS 14 HZ1 LYS 14 8.574 -11.375 -10.943 146 HZ2 LYS 14 HZ2 LYS 14 7.795 -11.710 -9.507 147 HZ3 LYS 14 HZ3 LYS 14 9.296 -10.932 -9.498 148 H ILE 15 H ILE 15 4.172 -8.032 -4.696 149 HA ILE 15 HA ILE 15 1.720 -9.487 -5.188 150 HB ILE 15 HB ILE 15 2.747 -7.764 -2.949 151 HG12 ILE 15 HG12 ILE 15 1.453 -10.179 -2.099 152 HG13 ILE 15 HG13 ILE 15 2.453 -10.616 -3.452 153 HG21 ILE 15 HG21 ILE 15 0.654 -6.922 -2.748 154 HG22 ILE 15 HG22 ILE 15 0.392 -8.451 -1.898 155 HG23 ILE 15 HG23 ILE 15 -0.094 -8.280 -3.581 156 HD11 ILE 15 HD11 ILE 15 3.370 -9.072 -1.014 157 HD12 ILE 15 HD12 ILE 15 4.386 -9.550 -2.388 158 HD13 ILE 15 HD13 ILE 15 3.658 -10.779 -1.345 159 H SER 16 H SER 16 -0.087 -8.761 -6.176 160 HA SER 16 HA SER 16 -0.077 -6.054 -7.257 161 HB2 SER 16 HB2 SER 16 -2.328 -7.916 -7.781 162 HB3 SER 16 HB3 SER 16 -1.437 -6.866 -8.878 163 HG SER 16 HG SER 16 -0.741 -9.363 -7.749 164 H GLN 17 H GLN 17 -2.198 -4.909 -7.320 165 HA GLN 17 HA GLN 17 -3.026 -4.255 -4.724 166 HB2 GLN 17 HB2 GLN 17 -4.377 -3.731 -7.380 167 HB3 GLN 17 HB3 GLN 17 -4.954 -3.084 -5.850 168 HG2 GLN 17 HG2 GLN 17 -2.796 -1.961 -5.486 169 HG3 GLN 17 HG3 GLN 17 -2.183 -2.622 -6.996 170 HE21 GLN 17 HE21 GLN 17 -3.653 0.137 -5.700 171 HE22 GLN 17 HE22 GLN 17 -4.261 0.774 -7.145 172 H SER 18 H SER 18 -4.434 -6.381 -7.148 173 HA SER 18 HA SER 18 -6.837 -6.938 -5.842 174 HB2 SER 18 HB2 SER 18 -5.245 -8.833 -7.589 175 HB3 SER 18 HB3 SER 18 -6.956 -8.935 -7.221 176 HG SER 18 HG SER 18 -5.638 -7.396 -9.028 177 H GLU 19 H GLU 19 -3.652 -8.350 -5.282 178 HA GLU 19 HA GLU 19 -4.559 -10.378 -3.526 179 HB2 GLU 19 HB2 GLU 19 -1.906 -8.953 -3.797 180 HB3 GLU 19 HB3 GLU 19 -2.180 -10.204 -2.600 181 HG2 GLU 19 HG2 GLU 19 -1.243 -11.353 -4.386 182 HG3 GLU 19 HG3 GLU 19 -2.948 -11.657 -4.653 183 H LEU 20 H LEU 20 -2.994 -7.345 -2.864 184 HA LEU 20 HA LEU 20 -3.381 -7.415 -0.081 185 HB2 LEU 20 HB2 LEU 20 -2.585 -5.041 -0.170 186 HB3 LEU 20 HB3 LEU 20 -1.611 -6.284 -0.957 187 HG LEU 20 HG LEU 20 -2.979 -5.650 -3.128 188 HD11 LEU 20 HD11 LEU 20 -3.008 -2.892 -2.555 189 HD12 LEU 20 HD12 LEU 20 -3.908 -3.716 -1.263 190 HD13 LEU 20 HD13 LEU 20 -4.331 -3.983 -2.952 191 HD21 LEU 20 HD21 LEU 20 -0.500 -5.331 -2.832 192 HD22 LEU 20 HD22 LEU 20 -0.853 -3.776 -2.063 193 HD23 LEU 20 HD23 LEU 20 -1.258 -4.043 -3.745 194 H ALA 21 H ALA 21 -5.082 -5.703 -2.628 195 HA ALA 21 HA ALA 21 -6.309 -3.817 -1.116 196 HB1 ALA 21 HB1 ALA 21 -6.218 -3.518 -3.409 197 HB2 ALA 21 HB2 ALA 21 -7.921 -3.532 -2.993 198 HB3 ALA 21 HB3 ALA 21 -7.172 -4.959 -3.753 199 H ALA 22 H ALA 22 -7.400 -7.075 -1.446 200 HA ALA 22 HA ALA 22 -10.091 -6.671 -0.625 201 HB1 ALA 22 HB1 ALA 22 -9.492 -8.802 -1.601 202 HB2 ALA 22 HB2 ALA 22 -10.019 -9.084 0.060 203 HB3 ALA 22 HB3 ALA 22 -8.302 -9.092 -0.328 204 H LEU 23 H LEU 23 -7.154 -7.071 1.206 205 HA LEU 23 HA LEU 23 -8.325 -7.670 3.699 206 HB2 LEU 23 HB2 LEU 23 -5.581 -6.563 3.107 207 HB3 LEU 23 HB3 LEU 23 -6.111 -7.186 4.655 208 HG LEU 23 HG LEU 23 -5.250 -9.182 3.881 209 HD11 LEU 23 HD11 LEU 23 -6.834 -10.586 2.680 210 HD12 LEU 23 HD12 LEU 23 -7.817 -9.208 2.258 211 HD13 LEU 23 HD13 LEU 23 -7.647 -9.692 3.951 212 HD21 LEU 23 HD21 LEU 23 -5.839 -8.475 0.992 213 HD22 LEU 23 HD22 LEU 23 -4.703 -9.654 1.628 214 HD23 LEU 23 HD23 LEU 23 -4.372 -7.938 1.814 215 H LEU 24 H LEU 24 -7.728 -4.559 2.305 216 HA LEU 24 HA LEU 24 -7.417 -3.117 4.695 217 HB2 LEU 24 HB2 LEU 24 -8.577 -1.285 2.919 218 HB3 LEU 24 HB3 LEU 24 -6.871 -1.501 3.247 219 HG LEU 24 HG LEU 24 -8.455 -3.058 1.193 220 HD11 LEU 24 HD11 LEU 24 -6.456 -1.440 -0.005 221 HD12 LEU 24 HD12 LEU 24 -7.398 -0.397 1.061 222 HD13 LEU 24 HD13 LEU 24 -8.199 -1.341 -0.200 223 HD21 LEU 24 HD21 LEU 24 -5.550 -2.943 0.827 224 HD22 LEU 24 HD22 LEU 24 -6.663 -4.297 0.873 225 HD23 LEU 24 HD23 LEU 24 -5.998 -3.684 2.375 226 H GLU 25 H GLU 25 -10.264 -4.383 3.394 227 HA GLU 25 HA GLU 25 -12.438 -4.317 4.108 228 HB2 GLU 25 HB2 GLU 25 -11.348 -2.704 6.454 229 HB3 GLU 25 HB3 GLU 25 -12.960 -3.354 6.314 230 HG2 GLU 25 HG2 GLU 25 -12.128 -5.635 6.154 231 HG3 GLU 25 HG3 GLU 25 -10.468 -5.059 6.173 232 H VAL 26 H VAL 26 -11.366 -2.499 2.279 233 HA VAL 26 HA VAL 26 -13.492 -0.474 2.331 234 HB VAL 26 HB VAL 26 -11.996 1.070 1.093 235 HG11 VAL 26 HG11 VAL 26 -10.470 1.676 2.990 236 HG12 VAL 26 HG12 VAL 26 -11.031 0.236 3.841 237 HG13 VAL 26 HG13 VAL 26 -12.165 1.529 3.430 238 HG21 VAL 26 HG21 VAL 26 -10.161 0.188 0.145 239 HG22 VAL 26 HG22 VAL 26 -10.189 -1.253 1.152 240 HG23 VAL 26 HG23 VAL 26 -9.411 0.220 1.729 241 H SER 27 H SER 27 -14.178 -0.013 0.011 242 HA SER 27 HA SER 27 -14.442 -2.434 -1.342 243 HB2 SER 27 HB2 SER 27 -14.829 -0.761 -3.401 244 HB3 SER 27 HB3 SER 27 -15.993 -0.979 -2.116 245 HG SER 27 HG SER 27 -14.018 0.881 -1.521 246 H ARG 28 H ARG 28 -13.163 -3.574 -2.595 247 HA ARG 28 HA ARG 28 -10.451 -3.006 -2.662 248 HB2 ARG 28 HB2 ARG 28 -11.406 -5.292 -2.705 249 HB3 ARG 28 HB3 ARG 28 -11.889 -5.043 -4.393 250 HG2 ARG 28 HG2 ARG 28 -9.315 -4.542 -4.791 251 HG3 ARG 28 HG3 ARG 28 -9.207 -5.118 -3.141 252 HD2 ARG 28 HD2 ARG 28 -8.849 -6.922 -4.938 253 HD3 ARG 28 HD3 ARG 28 -9.877 -7.282 -3.572 254 HE ARG 28 HE ARG 28 -11.670 -7.422 -4.988 255 HH11 ARG 28 HH11 ARG 28 -9.088 -5.657 -6.578 256 HH12 ARG 28 HH12 ARG 28 -9.892 -5.615 -8.085 257 HH21 ARG 28 HH21 ARG 28 -12.704 -7.329 -6.987 258 HH22 ARG 28 HH22 ARG 28 -11.959 -6.556 -8.333 259 H GLN 29 H GLN 29 -12.821 -2.773 -5.251 260 HA GLN 29 HA GLN 29 -10.983 -2.032 -7.254 261 HB2 GLN 29 HB2 GLN 29 -12.996 -1.031 -8.384 262 HB3 GLN 29 HB3 GLN 29 -13.153 -2.732 -7.944 263 HG2 GLN 29 HG2 GLN 29 -14.460 -2.152 -5.972 264 HG3 GLN 29 HG3 GLN 29 -14.188 -0.449 -6.215 265 HE21 GLN 29 HE21 GLN 29 -16.335 -2.985 -6.906 266 HE22 GLN 29 HE22 GLN 29 -17.214 -2.236 -8.136 267 H THR 30 H THR 30 -12.806 -0.144 -4.888 268 HA THR 30 HA THR 30 -12.371 2.378 -5.935 269 HB THR 30 HB THR 30 -12.549 1.768 -2.984 270 HG1 THR 30 HG1 THR 30 -14.550 1.260 -3.255 271 HG21 THR 30 HG21 THR 30 -13.492 4.041 -4.743 272 HG22 THR 30 HG22 THR 30 -12.207 4.106 -3.533 273 HG23 THR 30 HG23 THR 30 -13.877 3.870 -3.029 274 H ILE 31 H ILE 31 -10.438 0.562 -3.542 275 HA ILE 31 HA ILE 31 -8.451 2.586 -3.294 276 HB ILE 31 HB ILE 31 -8.750 0.732 -1.650 277 HG12 ILE 31 HG12 ILE 31 -6.302 0.290 -1.328 278 HG13 ILE 31 HG13 ILE 31 -5.986 0.972 -2.918 279 HG21 ILE 31 HG21 ILE 31 -7.448 -1.417 -2.349 280 HG22 ILE 31 HG22 ILE 31 -7.826 -0.929 -3.992 281 HG23 ILE 31 HG23 ILE 31 -9.120 -1.218 -2.834 282 HD11 ILE 31 HD11 ILE 31 -6.771 3.149 -2.228 283 HD12 ILE 31 HD12 ILE 31 -5.673 2.572 -0.984 284 HD13 ILE 31 HD13 ILE 31 -7.415 2.504 -0.720 285 H ASN 32 H ASN 32 -8.875 -0.163 -5.390 286 HA ASN 32 HA ASN 32 -6.383 -0.001 -6.712 287 HB2 ASN 32 HB2 ASN 32 -7.166 -1.896 -7.599 288 HB3 ASN 32 HB3 ASN 32 -8.764 -1.587 -6.954 289 HD21 ASN 32 HD21 ASN 32 -10.099 0.054 -8.349 290 HD22 ASN 32 HD22 ASN 32 -9.945 -0.106 -10.016 291 H GLY 33 H GLY 33 -9.509 1.533 -7.327 292 HA2 GLY 33 HA2 GLY 33 -8.662 2.973 -9.670 293 HA3 GLY 33 HA3 GLY 33 -10.086 3.302 -8.688 294 H ILE 34 H ILE 34 -9.038 3.772 -6.230 295 HA ILE 34 HA ILE 34 -8.121 6.383 -6.573 296 HB ILE 34 HB ILE 34 -8.959 4.785 -4.249 297 HG12 ILE 34 HG12 ILE 34 -10.068 7.090 -3.801 298 HG13 ILE 34 HG13 ILE 34 -9.312 7.577 -5.307 299 HG21 ILE 34 HG21 ILE 34 -6.867 5.398 -3.299 300 HG22 ILE 34 HG22 ILE 34 -8.110 6.413 -2.617 301 HG23 ILE 34 HG23 ILE 34 -7.018 7.074 -3.830 302 HD11 ILE 34 HD11 ILE 34 -11.083 5.148 -5.172 303 HD12 ILE 34 HD12 ILE 34 -10.522 6.019 -6.603 304 HD13 ILE 34 HD13 ILE 34 -11.698 6.762 -5.524 305 H GLU 35 H GLU 35 -6.288 3.528 -5.543 306 HA GLU 35 HA GLU 35 -3.907 5.007 -5.119 307 HB2 GLU 35 HB2 GLU 35 -4.445 2.160 -5.899 308 HB3 GLU 35 HB3 GLU 35 -2.782 2.745 -5.860 309 HG2 GLU 35 HG2 GLU 35 -3.362 3.556 -3.456 310 HG3 GLU 35 HG3 GLU 35 -4.777 2.566 -3.593 311 H LYS 36 H LYS 36 -5.742 4.262 -7.867 312 HA LYS 36 HA LYS 36 -3.590 4.689 -9.704 313 HB2 LYS 36 HB2 LYS 36 -5.895 3.329 -9.970 314 HB3 LYS 36 HB3 LYS 36 -6.368 4.840 -10.719 315 HG2 LYS 36 HG2 LYS 36 -4.466 4.801 -12.194 316 HG3 LYS 36 HG3 LYS 36 -3.800 3.380 -11.420 317 HD2 LYS 36 HD2 LYS 36 -6.294 2.436 -12.069 318 HD3 LYS 36 HD3 LYS 36 -6.060 3.600 -13.359 319 HE2 LYS 36 HE2 LYS 36 -5.146 1.579 -14.224 320 HE3 LYS 36 HE3 LYS 36 -3.760 2.544 -13.735 321 HZ1 LYS 36 HZ1 LYS 36 -4.992 0.331 -12.159 322 HZ2 LYS 36 HZ2 LYS 36 -3.771 1.315 -11.580 323 HZ3 LYS 36 HZ3 LYS 36 -3.467 0.333 -12.884 324 H ASN 37 H ASN 37 -3.512 6.730 -8.092 325 HA ASN 37 HA ASN 37 -2.819 8.859 -8.764 326 HB2 ASN 37 HB2 ASN 37 -5.334 8.992 -10.424 327 HB3 ASN 37 HB3 ASN 37 -4.284 10.324 -10.125 328 HD21 ASN 37 HD21 ASN 37 -4.497 7.414 -11.999 329 HD22 ASN 37 HD22 ASN 37 -3.003 7.572 -12.795 330 H LYS 38 H LYS 38 -5.223 7.851 -6.756 331 HA LYS 38 HA LYS 38 -6.029 10.630 -6.087 332 HB2 LYS 38 HB2 LYS 38 -7.358 8.023 -5.768 333 HB3 LYS 38 HB3 LYS 38 -7.487 9.079 -4.382 334 HG2 LYS 38 HG2 LYS 38 -9.349 9.689 -5.724 335 HG3 LYS 38 HG3 LYS 38 -8.151 10.938 -6.059 336 HD2 LYS 38 HD2 LYS 38 -7.418 9.732 -8.051 337 HD3 LYS 38 HD3 LYS 38 -8.583 8.462 -7.758 338 HE2 LYS 38 HE2 LYS 38 -9.463 11.339 -7.981 339 HE3 LYS 38 HE3 LYS 38 -9.268 10.348 -9.417 340 HZ1 LYS 38 HZ1 LYS 38 -11.538 10.312 -8.519 341 HZ2 LYS 38 HZ2 LYS 38 -10.999 9.578 -7.106 342 HZ3 LYS 38 HZ3 LYS 38 -10.855 8.795 -8.608 343 H TYR 39 H TYR 39 -5.122 7.678 -4.325 344 HA TYR 39 HA TYR 39 -3.047 8.832 -2.933 345 HB2 TYR 39 HB2 TYR 39 -4.117 8.992 -0.638 346 HB3 TYR 39 HB3 TYR 39 -4.467 10.306 -1.740 347 HD1 TYR 39 HD1 TYR 39 -5.854 7.281 -0.098 348 HD2 TYR 39 HD2 TYR 39 -6.708 10.628 -2.666 349 HE1 TYR 39 HE1 TYR 39 -8.268 6.881 0.177 350 HE2 TYR 39 HE2 TYR 39 -9.119 10.218 -2.400 351 HH TYR 39 HH TYR 39 -10.486 7.601 -1.543 352 H ASN 40 H ASN 40 -2.356 7.543 -1.052 353 HA ASN 40 HA ASN 40 -2.735 4.704 -1.571 354 HB2 ASN 40 HB2 ASN 40 -1.093 6.138 0.529 355 HB3 ASN 40 HB3 ASN 40 -1.029 4.416 0.196 356 HD21 ASN 40 HD21 ASN 40 0.169 7.497 -0.784 357 HD22 ASN 40 HD22 ASN 40 1.056 6.962 -2.120 358 HA PRO 41 HA PRO 41 -5.522 3.909 1.859 359 HB2 PRO 41 HB2 PRO 41 -3.437 2.101 3.006 360 HB3 PRO 41 HB3 PRO 41 -5.153 1.799 2.647 361 HG2 PRO 41 HG2 PRO 41 -3.237 0.819 1.120 362 HG3 PRO 41 HG3 PRO 41 -4.793 1.367 0.466 363 HD2 PRO 41 HD2 PRO 41 -2.107 2.655 0.266 364 HD3 PRO 41 HD3 PRO 41 -3.486 2.731 -0.849 365 H SER 42 H SER 42 -5.782 4.750 3.966 366 HA SER 42 HA SER 42 -3.929 6.606 4.980 367 HB2 SER 42 HB2 SER 42 -6.021 5.128 6.591 368 HB3 SER 42 HB3 SER 42 -5.326 6.699 6.911 369 HG SER 42 HG SER 42 -6.251 6.800 4.439 370 H LEU 43 H LEU 43 -2.556 6.381 6.877 371 HA LEU 43 HA LEU 43 -0.970 4.109 6.641 372 HB2 LEU 43 HB2 LEU 43 -1.063 6.289 8.707 373 HB3 LEU 43 HB3 LEU 43 -0.004 4.913 8.937 374 HG LEU 43 HG LEU 43 1.083 6.884 7.757 375 HD11 LEU 43 HD11 LEU 43 1.031 4.410 6.016 376 HD12 LEU 43 HD12 LEU 43 1.825 4.479 7.596 377 HD13 LEU 43 HD13 LEU 43 2.353 5.544 6.294 378 HD21 LEU 43 HD21 LEU 43 0.590 7.222 5.399 379 HD22 LEU 43 HD22 LEU 43 -0.885 7.494 6.316 380 HD23 LEU 43 HD23 LEU 43 -0.646 5.986 5.411 381 H GLN 44 H GLN 44 -3.420 4.785 9.077 382 HA GLN 44 HA GLN 44 -3.041 2.323 10.519 383 HB2 GLN 44 HB2 GLN 44 -5.525 4.082 10.281 384 HB3 GLN 44 HB3 GLN 44 -5.370 2.708 11.359 385 HG2 GLN 44 HG2 GLN 44 -3.488 3.736 12.516 386 HG3 GLN 44 HG3 GLN 44 -3.515 5.101 11.404 387 HE21 GLN 44 HE21 GLN 44 -4.016 5.059 14.410 388 HE22 GLN 44 HE22 GLN 44 -5.546 5.756 14.579 389 H LEU 45 H LEU 45 -5.014 3.315 7.819 390 HA LEU 45 HA LEU 45 -6.367 0.859 7.352 391 HB2 LEU 45 HB2 LEU 45 -7.191 2.878 6.295 392 HB3 LEU 45 HB3 LEU 45 -5.637 3.122 5.488 393 HG LEU 45 HG LEU 45 -5.975 1.090 4.156 394 HD11 LEU 45 HD11 LEU 45 -8.215 0.685 6.052 395 HD12 LEU 45 HD12 LEU 45 -7.063 -0.435 5.271 396 HD13 LEU 45 HD13 LEU 45 -8.427 0.186 4.356 397 HD21 LEU 45 HD21 LEU 45 -8.589 2.598 4.049 398 HD22 LEU 45 HD22 LEU 45 -7.676 1.909 2.716 399 HD23 LEU 45 HD23 LEU 45 -7.092 3.362 3.521 400 H ALA 46 H ALA 46 -3.394 2.241 6.127 401 HA ALA 46 HA ALA 46 -2.670 0.169 4.382 402 HB1 ALA 46 HB1 ALA 46 -0.814 1.965 5.921 403 HB2 ALA 46 HB2 ALA 46 -1.690 2.435 4.460 404 HB3 ALA 46 HB3 ALA 46 -0.495 1.129 4.390 405 H LEU 47 H LEU 47 -2.280 0.570 7.836 406 HA LEU 47 HA LEU 47 -0.405 -1.455 8.245 407 HB2 LEU 47 HB2 LEU 47 -0.954 0.081 10.041 408 HB3 LEU 47 HB3 LEU 47 -2.605 -0.516 10.101 409 HG LEU 47 HG LEU 47 -1.835 -2.738 10.789 410 HD11 LEU 47 HD11 LEU 47 0.319 -2.843 9.624 411 HD12 LEU 47 HD12 LEU 47 0.529 -3.097 11.353 412 HD13 LEU 47 HD13 LEU 47 0.955 -1.550 10.661 413 HD21 LEU 47 HD21 LEU 47 -1.063 -2.187 13.002 414 HD22 LEU 47 HD22 LEU 47 -2.193 -0.933 12.512 415 HD23 LEU 47 HD23 LEU 47 -0.451 -0.630 12.478 416 H LYS 48 H LYS 48 -3.922 -1.567 8.066 417 HA LYS 48 HA LYS 48 -4.294 -4.273 8.748 418 HB2 LYS 48 HB2 LYS 48 -6.187 -2.726 8.574 419 HB3 LYS 48 HB3 LYS 48 -5.901 -2.511 6.857 420 HG2 LYS 48 HG2 LYS 48 -7.711 -4.087 7.126 421 HG3 LYS 48 HG3 LYS 48 -6.315 -4.964 6.509 422 HD2 LYS 48 HD2 LYS 48 -5.795 -5.616 8.911 423 HD3 LYS 48 HD3 LYS 48 -7.342 -4.913 9.366 424 HE2 LYS 48 HE2 LYS 48 -6.841 -7.236 7.498 425 HE3 LYS 48 HE3 LYS 48 -7.699 -7.269 9.031 426 HZ1 LYS 48 HZ1 LYS 48 -9.382 -5.711 7.977 427 HZ2 LYS 48 HZ2 LYS 48 -9.286 -7.252 7.307 428 HZ3 LYS 48 HZ3 LYS 48 -8.573 -5.990 6.482 429 H ILE 49 H ILE 49 -3.831 -2.718 5.629 430 HA ILE 49 HA ILE 49 -3.707 -5.220 4.228 431 HB ILE 49 HB ILE 49 -4.092 -4.029 2.438 432 HG12 ILE 49 HG12 ILE 49 -1.386 -2.790 3.003 433 HG13 ILE 49 HG13 ILE 49 -2.066 -3.662 1.588 434 HG21 ILE 49 HG21 ILE 49 -4.782 -1.696 2.639 435 HG22 ILE 49 HG22 ILE 49 -3.767 -1.473 4.053 436 HG23 ILE 49 HG23 ILE 49 -5.177 -2.520 4.138 437 HD11 ILE 49 HD11 ILE 49 -3.421 -1.637 1.077 438 HD12 ILE 49 HD12 ILE 49 -1.684 -1.408 0.933 439 HD13 ILE 49 HD13 ILE 49 -2.515 -0.779 2.339 440 H ALA 50 H ALA 50 -1.357 -2.931 5.442 441 HA ALA 50 HA ALA 50 1.030 -3.927 4.411 442 HB1 ALA 50 HB1 ALA 50 0.488 -2.746 7.123 443 HB2 ALA 50 HB2 ALA 50 0.906 -1.829 5.675 444 HB3 ALA 50 HB3 ALA 50 2.087 -2.888 6.423 445 H TYR 51 H TYR 51 -0.874 -4.971 7.178 446 HA TYR 51 HA TYR 51 0.970 -6.731 8.343 447 HB2 TYR 51 HB2 TYR 51 -1.059 -6.093 9.503 448 HB3 TYR 51 HB3 TYR 51 -2.065 -6.867 8.286 449 HD1 TYR 51 HD1 TYR 51 0.682 -7.600 10.756 450 HD2 TYR 51 HD2 TYR 51 -2.658 -9.117 8.520 451 HE1 TYR 51 HE1 TYR 51 0.848 -9.720 11.965 452 HE2 TYR 51 HE2 TYR 51 -2.494 -11.270 9.741 453 HH TYR 51 HH TYR 51 0.168 -12.186 11.396 454 H TYR 52 H TYR 52 -1.472 -7.323 5.860 455 HA TYR 52 HA TYR 52 -0.559 -10.066 5.444 456 HB2 TYR 52 HB2 TYR 52 -2.641 -8.376 4.057 457 HB3 TYR 52 HB3 TYR 52 -2.218 -10.013 3.566 458 HD1 TYR 52 HD1 TYR 52 -2.517 -11.928 5.148 459 HD2 TYR 52 HD2 TYR 52 -4.008 -7.983 6.029 460 HE1 TYR 52 HE1 TYR 52 -3.994 -12.873 6.869 461 HE2 TYR 52 HE2 TYR 52 -5.481 -8.934 7.753 462 HH TYR 52 HH TYR 52 -5.413 -11.128 9.239 463 H LEU 53 H LEU 53 0.264 -7.003 4.360 464 HA LEU 53 HA LEU 53 1.029 -7.787 1.755 465 HB2 LEU 53 HB2 LEU 53 0.927 -5.301 3.190 466 HB3 LEU 53 HB3 LEU 53 2.166 -5.275 1.962 467 HG LEU 53 HG LEU 53 -0.807 -5.762 1.697 468 HD11 LEU 53 HD11 LEU 53 1.158 -3.862 0.352 469 HD12 LEU 53 HD12 LEU 53 0.024 -3.437 1.606 470 HD13 LEU 53 HD13 LEU 53 -0.571 -3.932 0.025 471 HD21 LEU 53 HD21 LEU 53 0.216 -5.954 -0.864 472 HD22 LEU 53 HD22 LEU 53 -0.320 -7.306 0.102 473 HD23 LEU 53 HD23 LEU 53 1.381 -6.922 0.042 474 H ASN 54 H ASN 54 2.666 -8.624 4.353 475 HA ASN 54 HA ASN 54 4.937 -9.162 4.703 476 HB2 ASN 54 HB2 ASN 54 4.828 -8.998 1.703 477 HB3 ASN 54 HB3 ASN 54 6.278 -9.401 2.608 478 HD21 ASN 54 HD21 ASN 54 3.816 -10.878 0.963 479 HD22 ASN 54 HD22 ASN 54 3.681 -12.330 1.802 480 H THR 55 H THR 55 4.036 -6.467 4.741 481 HA THR 55 HA THR 55 6.529 -5.100 4.392 482 HB THR 55 HB THR 55 4.299 -4.986 2.554 483 HG1 THR 55 HG1 THR 55 6.908 -3.875 2.554 484 HG21 THR 55 HG21 THR 55 3.453 -2.974 3.394 485 HG22 THR 55 HG22 THR 55 4.654 -2.360 2.267 486 HG23 THR 55 HG23 THR 55 5.015 -2.437 3.974 487 HA PRO 56 HA PRO 56 4.324 -3.952 8.224 488 HB2 PRO 56 HB2 PRO 56 6.861 -2.433 8.575 489 HB3 PRO 56 HB3 PRO 56 5.982 -3.462 9.708 490 HG2 PRO 56 HG2 PRO 56 8.176 -4.343 8.488 491 HG3 PRO 56 HG3 PRO 56 6.814 -5.419 8.837 492 HD2 PRO 56 HD2 PRO 56 7.723 -4.363 6.232 493 HD3 PRO 56 HD3 PRO 56 6.789 -5.822 6.615 494 H LEU 57 H LEU 57 3.406 -1.998 8.991 495 HA LEU 57 HA LEU 57 2.781 -0.035 7.070 496 HB2 LEU 57 HB2 LEU 57 1.437 -0.477 9.114 497 HB3 LEU 57 HB3 LEU 57 2.719 0.198 10.115 498 HG LEU 57 HG LEU 57 0.709 1.703 9.519 499 HD11 LEU 57 HD11 LEU 57 2.003 3.610 9.676 500 HD12 LEU 57 HD12 LEU 57 3.315 2.951 8.703 501 HD13 LEU 57 HD13 LEU 57 3.067 2.383 10.356 502 HD21 LEU 57 HD21 LEU 57 0.559 2.648 7.410 503 HD22 LEU 57 HD22 LEU 57 0.922 0.975 7.019 504 HD23 LEU 57 HD23 LEU 57 2.197 2.201 6.932 505 H GLU 58 H GLU 58 5.194 -0.294 9.565 506 HA GLU 58 HA GLU 58 6.473 2.238 9.278 507 HB2 GLU 58 HB2 GLU 58 7.988 -0.253 9.952 508 HB3 GLU 58 HB3 GLU 58 8.147 1.350 10.647 509 HG2 GLU 58 HG2 GLU 58 7.019 0.255 12.385 510 HG3 GLU 58 HG3 GLU 58 5.645 0.875 11.466 511 H ASP 59 H ASP 59 6.467 -0.682 7.380 512 HA ASP 59 HA ASP 59 8.960 -0.356 6.046 513 HB2 ASP 59 HB2 ASP 59 7.499 -2.445 6.176 514 HB3 ASP 59 HB3 ASP 59 6.517 -1.696 4.932 515 H ILE 60 H ILE 60 5.699 0.777 5.501 516 HA ILE 60 HA ILE 60 6.597 2.188 3.071 517 HB ILE 60 HB ILE 60 4.253 2.674 2.644 518 HG12 ILE 60 HG12 ILE 60 3.636 0.999 5.114 519 HG13 ILE 60 HG13 ILE 60 3.526 2.760 5.075 520 HG21 ILE 60 HG21 ILE 60 5.386 -0.011 2.835 521 HG22 ILE 60 HG22 ILE 60 4.435 0.720 1.549 522 HG23 ILE 60 HG23 ILE 60 3.621 -0.034 2.925 523 HD11 ILE 60 HD11 ILE 60 1.792 0.726 3.814 524 HD12 ILE 60 HD12 ILE 60 2.058 2.216 2.905 525 HD13 ILE 60 HD13 ILE 60 1.371 2.288 4.532 526 H PHE 61 H PHE 61 5.572 2.694 6.365 527 HA PHE 61 HA PHE 61 5.559 5.576 5.991 528 HB2 PHE 61 HB2 PHE 61 3.979 4.450 7.560 529 HB3 PHE 61 HB3 PHE 61 5.350 4.039 8.592 530 HD1 PHE 61 HD1 PHE 61 3.869 7.005 6.816 531 HD2 PHE 61 HD2 PHE 61 5.993 5.561 10.263 532 HE1 PHE 61 HE1 PHE 61 3.829 9.266 7.784 533 HE2 PHE 61 HE2 PHE 61 5.945 7.852 11.233 534 HZ PHE 61 HZ PHE 61 4.876 9.687 10.005 535 H GLN 62 H GLN 62 7.727 5.169 5.107 536 HA GLN 62 HA GLN 62 9.930 4.837 6.983 537 HB2 GLN 62 HB2 GLN 62 9.811 5.502 4.039 538 HB3 GLN 62 HB3 GLN 62 11.308 5.228 4.932 539 HG2 GLN 62 HG2 GLN 62 9.095 3.160 4.886 540 HG3 GLN 62 HG3 GLN 62 10.369 3.184 3.672 541 HE21 GLN 62 HE21 GLN 62 9.587 2.008 6.777 542 HE22 GLN 62 HE22 GLN 62 11.156 1.588 7.234 543 H TRP 63 H TRP 63 11.437 6.509 7.424 544 HA TRP 63 HA TRP 63 10.316 9.113 7.727 545 HB2 TRP 63 HB2 TRP 63 13.061 7.965 8.196 546 HB3 TRP 63 HB3 TRP 63 12.730 9.685 8.396 547 HD1 TRP 63 HD1 TRP 63 10.130 6.999 9.325 548 HE1 TRP 63 HE1 TRP 63 9.738 7.081 11.853 549 HE3 TRP 63 HE3 TRP 63 13.775 10.329 10.679 550 HZ2 TRP 63 HZ2 TRP 63 10.819 8.374 14.155 551 HZ3 TRP 63 HZ3 TRP 63 14.066 10.960 13.053 552 HH2 TRP 63 HH2 TRP 63 12.591 9.986 14.793 553 H GLN 64 H GLN 64 10.176 8.359 5.056 554 HA GLN 64 HA GLN 64 11.760 10.487 3.812 555 HB2 GLN 64 HB2 GLN 64 10.993 7.986 2.303 556 HB3 GLN 64 HB3 GLN 64 12.145 9.228 1.849 557 HG2 GLN 64 HG2 GLN 64 12.591 7.446 4.290 558 HG3 GLN 64 HG3 GLN 64 13.145 7.024 2.687 559 HE21 GLN 64 HE21 GLN 64 14.043 9.486 1.682 560 HE22 GLN 64 HE22 GLN 64 15.328 10.039 2.629 561 HA PRO 65 HA PRO 65 7.069 10.760 3.633 562 HB2 PRO 65 HB2 PRO 65 6.865 13.353 4.201 563 HB3 PRO 65 HB3 PRO 65 7.192 12.163 5.475 564 HG2 PRO 65 HG2 PRO 65 9.036 14.114 4.230 565 HG3 PRO 65 HG3 PRO 65 9.027 13.452 5.864 566 HD2 PRO 65 HD2 PRO 65 10.674 12.576 3.733 567 HD3 PRO 65 HD3 PRO 65 10.475 11.785 5.305 568 H GLU 66 H GLU 66 8.509 10.488 1.339 569 HA GLU 66 HA GLU 66 7.375 12.561 -0.381 570 HB2 GLU 66 HB2 GLU 66 9.891 12.228 -1.524 571 HB3 GLU 66 HB3 GLU 66 9.335 13.606 -0.581 572 HG2 GLU 66 HG2 GLU 66 10.116 12.399 1.504 573 HG3 GLU 66 HG3 GLU 66 10.825 11.181 0.445 Start of MODEL 2 1 H1 MET 1 H1 MET 1 17.986 6.081 -3.540 2 HA MET 1 HA MET 1 16.039 5.125 -4.410 3 HB2 MET 1 HB2 MET 1 16.228 3.345 -1.974 4 HB3 MET 1 HB3 MET 1 14.958 3.239 -3.202 5 HG2 MET 1 HG2 MET 1 16.691 2.844 -4.938 6 HG3 MET 1 HG3 MET 1 17.933 2.881 -3.700 7 HE1 MET 1 HE1 MET 1 18.030 1.675 -1.786 8 HE2 MET 1 HE2 MET 1 17.835 -0.085 -1.748 9 HE3 MET 1 HE3 MET 1 16.562 0.960 -1.142 10 H ILE 2 H ILE 2 16.568 6.944 -1.813 11 HA ILE 2 HA ILE 2 15.313 8.206 -0.349 12 HB ILE 2 HB ILE 2 13.194 7.946 -2.523 13 HG12 ILE 2 HG12 ILE 2 15.361 10.061 -2.197 14 HG13 ILE 2 HG13 ILE 2 15.437 8.744 -3.362 15 HG21 ILE 2 HG21 ILE 2 12.034 9.609 -1.455 16 HG22 ILE 2 HG22 ILE 2 13.508 10.472 -1.007 17 HG23 ILE 2 HG23 ILE 2 12.947 9.137 -0.018 18 HD11 ILE 2 HD11 ILE 2 14.341 10.094 -4.787 19 HD12 ILE 2 HD12 ILE 2 13.961 11.241 -3.512 20 HD13 ILE 2 HD13 ILE 2 12.910 9.853 -3.796 21 H ILE 3 H ILE 3 12.152 7.463 -0.966 22 HA ILE 3 HA ILE 3 12.136 5.096 0.799 23 HB ILE 3 HB ILE 3 10.000 7.253 0.686 24 HG12 ILE 3 HG12 ILE 3 11.987 8.099 1.923 25 HG13 ILE 3 HG13 ILE 3 10.641 7.702 3.009 26 HG21 ILE 3 HG21 ILE 3 10.300 4.730 2.360 27 HG22 ILE 3 HG22 ILE 3 9.044 5.062 1.189 28 HG23 ILE 3 HG23 ILE 3 9.118 5.987 2.687 29 HD11 ILE 3 HD11 ILE 3 13.264 6.384 2.727 30 HD12 ILE 3 HD12 ILE 3 11.869 5.369 3.190 31 HD13 ILE 3 HD13 ILE 3 12.286 6.802 4.127 32 H ASN 4 H ASN 4 11.158 3.376 -0.115 33 HA ASN 4 HA ASN 4 10.014 3.647 -2.756 34 HB2 ASN 4 HB2 ASN 4 10.904 1.394 -1.065 35 HB3 ASN 4 HB3 ASN 4 9.444 1.075 -1.992 36 HD21 ASN 4 HD21 ASN 4 12.626 2.695 -2.630 37 HD22 ASN 4 HD22 ASN 4 12.810 1.972 -4.151 38 H ASN 5 H ASN 5 8.000 4.237 -3.089 39 HA ASN 5 HA ASN 5 6.088 4.541 -1.028 40 HB2 ASN 5 HB2 ASN 5 5.567 4.567 -4.012 41 HB3 ASN 5 HB3 ASN 5 4.554 5.287 -2.770 42 HD21 ASN 5 HD21 ASN 5 4.927 7.484 -2.426 43 HD22 ASN 5 HD22 ASN 5 6.374 8.277 -2.807 44 H LEU 6 H LEU 6 3.703 3.722 -1.600 45 HA LEU 6 HA LEU 6 3.622 1.039 -0.835 46 HB2 LEU 6 HB2 LEU 6 1.786 2.888 -0.713 47 HB3 LEU 6 HB3 LEU 6 1.348 2.363 -2.324 48 HG LEU 6 HG LEU 6 -0.052 1.193 -0.781 49 HD11 LEU 6 HD11 LEU 6 2.006 -0.910 -1.395 50 HD12 LEU 6 HD12 LEU 6 1.074 -0.147 -2.692 51 HD13 LEU 6 HD13 LEU 6 0.258 -1.022 -1.412 52 HD21 LEU 6 HD21 LEU 6 1.546 1.528 1.182 53 HD22 LEU 6 HD22 LEU 6 2.383 0.068 0.632 54 HD23 LEU 6 HD23 LEU 6 0.690 -0.005 1.121 55 H LYS 7 H LYS 7 3.102 2.500 -4.012 56 HA LYS 7 HA LYS 7 2.499 0.139 -5.489 57 HB2 LYS 7 HB2 LYS 7 4.251 2.122 -6.858 58 HB3 LYS 7 HB3 LYS 7 2.724 1.457 -7.353 59 HG2 LYS 7 HG2 LYS 7 3.100 3.629 -5.288 60 HG3 LYS 7 HG3 LYS 7 2.617 3.819 -6.951 61 HD2 LYS 7 HD2 LYS 7 0.581 2.591 -6.621 62 HD3 LYS 7 HD3 LYS 7 1.003 2.183 -4.949 63 HE2 LYS 7 HE2 LYS 7 1.114 4.587 -4.435 64 HE3 LYS 7 HE3 LYS 7 0.584 4.982 -6.056 65 HZ1 LYS 7 HZ1 LYS 7 -0.921 4.142 -3.799 66 HZ2 LYS 7 HZ2 LYS 7 -1.267 3.129 -5.114 67 HZ3 LYS 7 HZ3 LYS 7 -1.492 4.824 -5.251 68 H LEU 8 H LEU 8 5.364 1.917 -4.746 69 HA LEU 8 HA LEU 8 7.224 0.497 -6.165 70 HB2 LEU 8 HB2 LEU 8 7.292 2.380 -3.889 71 HB3 LEU 8 HB3 LEU 8 8.802 1.587 -4.316 72 HG LEU 8 HG LEU 8 8.511 3.763 -5.399 73 HD11 LEU 8 HD11 LEU 8 9.260 3.128 -7.533 74 HD12 LEU 8 HD12 LEU 8 8.317 1.650 -7.544 75 HD13 LEU 8 HD13 LEU 8 9.735 1.787 -6.496 76 HD21 LEU 8 HD21 LEU 8 6.824 4.177 -7.054 77 HD22 LEU 8 HD22 LEU 8 5.925 3.575 -5.672 78 HD23 LEU 8 HD23 LEU 8 6.273 2.529 -7.047 79 H ILE 9 H ILE 9 6.186 0.248 -2.783 80 HA ILE 9 HA ILE 9 8.008 -1.825 -2.045 81 HB ILE 9 HB ILE 9 5.357 -0.989 -0.822 82 HG12 ILE 9 HG12 ILE 9 7.154 0.733 -0.729 83 HG13 ILE 9 HG13 ILE 9 6.830 0.088 0.870 84 HG21 ILE 9 HG21 ILE 9 6.474 -2.191 1.211 85 HG22 ILE 9 HG22 ILE 9 7.384 -3.056 -0.008 86 HG23 ILE 9 HG23 ILE 9 5.610 -3.154 0.013 87 HD11 ILE 9 HD11 ILE 9 9.167 0.159 0.638 88 HD12 ILE 9 HD12 ILE 9 9.147 -0.586 -0.948 89 HD13 ILE 9 HD13 ILE 9 8.749 -1.545 0.488 90 H ARG 10 H ARG 10 4.715 -1.841 -3.230 91 HA ARG 10 HA ARG 10 4.119 -4.541 -2.868 92 HB2 ARG 10 HB2 ARG 10 2.642 -2.587 -3.720 93 HB3 ARG 10 HB3 ARG 10 3.256 -3.023 -5.316 94 HG2 ARG 10 HG2 ARG 10 2.561 -5.457 -4.655 95 HG3 ARG 10 HG3 ARG 10 1.612 -4.662 -3.425 96 HD2 ARG 10 HD2 ARG 10 0.119 -4.863 -5.317 97 HD3 ARG 10 HD3 ARG 10 0.621 -3.173 -5.220 98 HE ARG 10 HE ARG 10 2.176 -4.988 -6.893 99 HH11 ARG 10 HH11 ARG 10 -0.240 -2.440 -6.691 100 HH12 ARG 10 HH12 ARG 10 0.041 -1.890 -8.286 101 HH21 ARG 10 HH21 ARG 10 2.496 -4.223 -9.050 102 HH22 ARG 10 HH22 ARG 10 1.581 -2.892 -9.634 103 H GLU 11 H GLU 11 5.621 -2.898 -5.624 104 HA GLU 11 HA GLU 11 5.798 -5.127 -7.312 105 HB2 GLU 11 HB2 GLU 11 7.527 -3.782 -8.555 106 HB3 GLU 11 HB3 GLU 11 6.014 -2.936 -8.275 107 HG2 GLU 11 HG2 GLU 11 6.929 -1.788 -6.383 108 HG3 GLU 11 HG3 GLU 11 8.476 -2.652 -6.533 109 H LYS 12 H LYS 12 8.062 -3.935 -4.880 110 HA LYS 12 HA LYS 12 10.273 -5.489 -5.664 111 HB2 LYS 12 HB2 LYS 12 9.579 -4.746 -2.810 112 HB3 LYS 12 HB3 LYS 12 11.170 -5.127 -3.445 113 HG2 LYS 12 HG2 LYS 12 9.449 -2.778 -4.107 114 HG3 LYS 12 HG3 LYS 12 11.013 -2.736 -3.309 115 HD2 LYS 12 HD2 LYS 12 12.085 -3.671 -5.358 116 HD3 LYS 12 HD3 LYS 12 10.551 -3.590 -6.204 117 HE2 LYS 12 HE2 LYS 12 12.182 -1.297 -5.131 118 HE3 LYS 12 HE3 LYS 12 11.745 -1.688 -6.793 119 HZ1 LYS 12 HZ1 LYS 12 9.811 -0.644 -6.616 120 HZ2 LYS 12 HZ2 LYS 12 10.412 -0.001 -5.181 121 HZ3 LYS 12 HZ3 LYS 12 9.385 -1.362 -5.135 122 H LYS 13 H LYS 13 7.653 -6.219 -3.449 123 HA LYS 13 HA LYS 13 8.722 -8.898 -3.034 124 HB2 LYS 13 HB2 LYS 13 6.840 -9.144 -1.415 125 HB3 LYS 13 HB3 LYS 13 7.952 -7.831 -1.041 126 HG2 LYS 13 HG2 LYS 13 6.387 -6.194 -2.036 127 HG3 LYS 13 HG3 LYS 13 5.304 -7.499 -2.489 128 HD2 LYS 13 HD2 LYS 13 4.320 -6.986 -0.537 129 HD3 LYS 13 HD3 LYS 13 5.537 -8.061 0.145 130 HE2 LYS 13 HE2 LYS 13 6.499 -5.271 -0.187 131 HE3 LYS 13 HE3 LYS 13 5.110 -5.404 0.848 132 HZ1 LYS 13 HZ1 LYS 13 6.981 -5.615 2.151 133 HZ2 LYS 13 HZ2 LYS 13 7.759 -6.740 1.217 134 HZ3 LYS 13 HZ3 LYS 13 6.410 -7.175 2.149 135 H LYS 14 H LYS 14 7.266 -7.718 -5.496 136 HA LYS 14 HA LYS 14 6.005 -8.535 -7.209 137 HB2 LYS 14 HB2 LYS 14 6.463 -11.285 -6.104 138 HB3 LYS 14 HB3 LYS 14 6.363 -10.787 -7.777 139 HG2 LYS 14 HG2 LYS 14 8.644 -10.371 -5.836 140 HG3 LYS 14 HG3 LYS 14 8.684 -11.119 -7.431 141 HD2 LYS 14 HD2 LYS 14 7.888 -8.564 -8.132 142 HD3 LYS 14 HD3 LYS 14 8.737 -8.277 -6.638 143 HE2 LYS 14 HE2 LYS 14 10.401 -8.079 -8.197 144 HE3 LYS 14 HE3 LYS 14 10.651 -9.718 -7.584 145 HZ1 LYS 14 HZ1 LYS 14 9.971 -8.866 -10.221 146 HZ2 LYS 14 HZ2 LYS 14 8.827 -9.971 -9.651 147 HZ3 LYS 14 HZ3 LYS 14 10.456 -10.386 -9.685 148 H ILE 15 H ILE 15 4.377 -7.657 -5.216 149 HA ILE 15 HA ILE 15 2.187 -9.626 -5.323 150 HB ILE 15 HB ILE 15 2.954 -7.657 -3.177 151 HG12 ILE 15 HG12 ILE 15 1.461 -9.879 -2.228 152 HG13 ILE 15 HG13 ILE 15 2.513 -10.532 -3.458 153 HG21 ILE 15 HG21 ILE 15 0.482 -8.090 -2.364 154 HG22 ILE 15 HG22 ILE 15 0.161 -8.268 -4.071 155 HG23 ILE 15 HG23 ILE 15 0.808 -6.750 -3.462 156 HD11 ILE 15 HD11 ILE 15 4.448 -9.463 -2.353 157 HD12 ILE 15 HD12 ILE 15 3.590 -10.560 -1.268 158 HD13 ILE 15 HD13 ILE 15 3.359 -8.823 -1.108 159 H SER 16 H SER 16 0.179 -8.971 -6.032 160 HA SER 16 HA SER 16 0.263 -6.573 -7.721 161 HB2 SER 16 HB2 SER 16 -1.967 -8.508 -7.993 162 HB3 SER 16 HB3 SER 16 -1.020 -7.697 -9.213 163 HG SER 16 HG SER 16 -0.286 -9.886 -7.565 164 H GLN 17 H GLN 17 -2.087 -5.687 -8.082 165 HA GLN 17 HA GLN 17 -2.861 -4.430 -5.659 166 HB2 GLN 17 HB2 GLN 17 -4.306 -4.609 -8.318 167 HB3 GLN 17 HB3 GLN 17 -4.761 -3.555 -6.987 168 HG2 GLN 17 HG2 GLN 17 -2.040 -3.484 -8.349 169 HG3 GLN 17 HG3 GLN 17 -3.362 -2.391 -8.718 170 HE21 GLN 17 HE21 GLN 17 -3.897 -0.737 -7.167 171 HE22 GLN 17 HE22 GLN 17 -2.920 -0.413 -5.826 172 H SER 18 H SER 18 -4.102 -7.216 -7.387 173 HA SER 18 HA SER 18 -6.590 -7.472 -6.159 174 HB2 SER 18 HB2 SER 18 -5.907 -10.052 -6.575 175 HB3 SER 18 HB3 SER 18 -6.474 -8.990 -7.850 176 HG SER 18 HG SER 18 -3.773 -9.547 -7.048 177 H GLU 19 H GLU 19 -3.429 -8.673 -5.165 178 HA GLU 19 HA GLU 19 -4.264 -10.212 -2.998 179 HB2 GLU 19 HB2 GLU 19 -1.704 -8.733 -3.537 180 HB3 GLU 19 HB3 GLU 19 -1.882 -9.861 -2.212 181 HG2 GLU 19 HG2 GLU 19 -1.035 -11.290 -3.831 182 HG3 GLU 19 HG3 GLU 19 -2.740 -11.482 -4.170 183 H LEU 20 H LEU 20 -2.800 -7.028 -2.921 184 HA LEU 20 HA LEU 20 -3.272 -6.656 -0.162 185 HB2 LEU 20 HB2 LEU 20 -2.566 -4.277 -0.612 186 HB3 LEU 20 HB3 LEU 20 -1.435 -5.549 -1.049 187 HG LEU 20 HG LEU 20 -2.585 -5.397 -3.437 188 HD11 LEU 20 HD11 LEU 20 -4.109 -3.883 -3.674 189 HD12 LEU 20 HD12 LEU 20 -2.936 -2.610 -3.307 190 HD13 LEU 20 HD13 LEU 20 -3.918 -3.315 -2.019 191 HD21 LEU 20 HD21 LEU 20 -1.069 -3.342 -3.890 192 HD22 LEU 20 HD22 LEU 20 -0.365 -4.863 -3.354 193 HD23 LEU 20 HD23 LEU 20 -0.578 -3.510 -2.208 194 H ALA 21 H ALA 21 -4.983 -5.407 -2.962 195 HA ALA 21 HA ALA 21 -6.266 -3.344 -1.732 196 HB1 ALA 21 HB1 ALA 21 -7.832 -3.284 -3.596 197 HB2 ALA 21 HB2 ALA 21 -7.292 -4.903 -4.110 198 HB3 ALA 21 HB3 ALA 21 -6.183 -3.549 -4.124 199 H ALA 22 H ALA 22 -7.396 -6.650 -1.695 200 HA ALA 22 HA ALA 22 -10.028 -6.084 -0.783 201 HB1 ALA 22 HB1 ALA 22 -9.976 -8.261 -1.461 202 HB2 ALA 22 HB2 ALA 22 -9.657 -8.539 0.241 203 HB3 ALA 22 HB3 ALA 22 -8.323 -8.523 -0.908 204 H LEU 23 H LEU 23 -7.026 -6.505 0.891 205 HA LEU 23 HA LEU 23 -7.970 -7.113 3.421 206 HB2 LEU 23 HB2 LEU 23 -5.355 -6.110 2.407 207 HB3 LEU 23 HB3 LEU 23 -5.625 -6.204 4.139 208 HG LEU 23 HG LEU 23 -4.617 -8.260 3.186 209 HD11 LEU 23 HD11 LEU 23 -7.355 -8.984 4.198 210 HD12 LEU 23 HD12 LEU 23 -6.211 -8.151 5.246 211 HD13 LEU 23 HD13 LEU 23 -5.801 -9.717 4.561 212 HD21 LEU 23 HD21 LEU 23 -5.951 -9.779 1.846 213 HD22 LEU 23 HD22 LEU 23 -5.845 -8.239 1.008 214 HD23 LEU 23 HD23 LEU 23 -7.330 -8.696 1.871 215 H LEU 24 H LEU 24 -7.538 -3.935 2.097 216 HA LEU 24 HA LEU 24 -7.258 -2.587 4.552 217 HB2 LEU 24 HB2 LEU 24 -8.311 -0.627 2.983 218 HB3 LEU 24 HB3 LEU 24 -6.619 -1.067 3.035 219 HG LEU 24 HG LEU 24 -8.561 -2.438 1.116 220 HD11 LEU 24 HD11 LEU 24 -6.691 -0.408 0.152 221 HD12 LEU 24 HD12 LEU 24 -8.130 0.208 0.984 222 HD13 LEU 24 HD13 LEU 24 -8.293 -0.881 -0.419 223 HD21 LEU 24 HD21 LEU 24 -5.849 -2.159 0.225 224 HD22 LEU 24 HD22 LEU 24 -6.765 -3.611 0.558 225 HD23 LEU 24 HD23 LEU 24 -5.818 -2.866 1.843 226 H GLU 25 H GLU 25 -9.853 -4.280 3.889 227 HA GLU 25 HA GLU 25 -12.000 -4.330 4.687 228 HB2 GLU 25 HB2 GLU 25 -10.928 -2.239 6.586 229 HB3 GLU 25 HB3 GLU 25 -12.392 -3.179 6.794 230 HG2 GLU 25 HG2 GLU 25 -11.140 -5.271 6.786 231 HG3 GLU 25 HG3 GLU 25 -9.641 -4.398 6.517 232 H VAL 26 H VAL 26 -11.261 -2.386 2.592 233 HA VAL 26 HA VAL 26 -13.725 -0.791 2.708 234 HB VAL 26 HB VAL 26 -12.607 0.982 1.404 235 HG11 VAL 26 HG11 VAL 26 -11.149 1.910 3.162 236 HG12 VAL 26 HG12 VAL 26 -11.123 0.351 3.979 237 HG13 VAL 26 HG13 VAL 26 -12.631 1.263 3.857 238 HG21 VAL 26 HG21 VAL 26 -9.989 0.846 1.495 239 HG22 VAL 26 HG22 VAL 26 -10.840 -0.043 0.236 240 HG23 VAL 26 HG23 VAL 26 -10.250 -0.887 1.661 241 H SER 27 H SER 27 -14.518 -0.426 0.432 242 HA SER 27 HA SER 27 -14.488 -2.890 -0.882 243 HB2 SER 27 HB2 SER 27 -15.409 -0.149 -1.701 244 HB3 SER 27 HB3 SER 27 -15.464 -1.482 -2.831 245 HG SER 27 HG SER 27 -17.234 -0.902 -1.050 246 H ARG 28 H ARG 28 -13.221 -3.773 -2.316 247 HA ARG 28 HA ARG 28 -10.655 -2.850 -2.706 248 HB2 ARG 28 HB2 ARG 28 -11.462 -5.179 -2.879 249 HB3 ARG 28 HB3 ARG 28 -12.042 -4.840 -4.535 250 HG2 ARG 28 HG2 ARG 28 -9.604 -4.027 -4.981 251 HG3 ARG 28 HG3 ARG 28 -9.310 -4.681 -3.372 252 HD2 ARG 28 HD2 ARG 28 -8.671 -6.400 -4.971 253 HD3 ARG 28 HD3 ARG 28 -10.107 -6.906 -4.093 254 HE ARG 28 HE ARG 28 -10.903 -5.574 -6.473 255 HH11 ARG 28 HH11 ARG 28 -9.412 -8.483 -5.353 256 HH12 ARG 28 HH12 ARG 28 -9.894 -9.460 -6.652 257 HH21 ARG 28 HH21 ARG 28 -11.573 -6.795 -8.245 258 HH22 ARG 28 HH22 ARG 28 -11.187 -8.461 -8.370 259 H GLN 29 H GLN 29 -13.461 -2.727 -4.718 260 HA GLN 29 HA GLN 29 -12.379 -1.806 -7.133 261 HB2 GLN 29 HB2 GLN 29 -15.027 -0.793 -6.152 262 HB3 GLN 29 HB3 GLN 29 -14.532 -1.284 -7.773 263 HG2 GLN 29 HG2 GLN 29 -14.336 -3.661 -6.920 264 HG3 GLN 29 HG3 GLN 29 -14.962 -3.062 -5.398 265 HE21 GLN 29 HE21 GLN 29 -16.520 -1.105 -7.489 266 HE22 GLN 29 HE22 GLN 29 -17.936 -1.989 -7.739 267 H THR 30 H THR 30 -13.701 0.015 -4.370 268 HA THR 30 HA THR 30 -13.277 2.539 -5.484 269 HB THR 30 HB THR 30 -13.523 3.228 -2.998 270 HG1 THR 30 HG1 THR 30 -13.058 1.352 -1.941 271 HG21 THR 30 HG21 THR 30 -15.601 1.630 -4.517 272 HG22 THR 30 HG22 THR 30 -15.353 3.372 -4.573 273 HG23 THR 30 HG23 THR 30 -15.964 2.611 -3.106 274 H ILE 31 H ILE 31 -11.277 0.580 -3.299 275 HA ILE 31 HA ILE 31 -9.231 2.576 -3.172 276 HB ILE 31 HB ILE 31 -9.316 0.723 -1.504 277 HG12 ILE 31 HG12 ILE 31 -6.749 0.154 -1.755 278 HG13 ILE 31 HG13 ILE 31 -6.817 1.146 -3.161 279 HG21 ILE 31 HG21 ILE 31 -8.383 -1.506 -2.206 280 HG22 ILE 31 HG22 ILE 31 -8.435 -0.973 -3.865 281 HG23 ILE 31 HG23 ILE 31 -9.932 -1.081 -2.912 282 HD11 ILE 31 HD11 ILE 31 -7.417 3.101 -1.965 283 HD12 ILE 31 HD12 ILE 31 -6.148 2.331 -1.022 284 HD13 ILE 31 HD13 ILE 31 -7.826 2.190 -0.511 285 H ASN 32 H ASN 32 -9.828 -0.201 -5.274 286 HA ASN 32 HA ASN 32 -7.381 -0.013 -6.648 287 HB2 ASN 32 HB2 ASN 32 -9.025 -1.918 -6.862 288 HB3 ASN 32 HB3 ASN 32 -9.966 -0.900 -7.949 289 HD21 ASN 32 HD21 ASN 32 -6.491 -1.809 -7.538 290 HD22 ASN 32 HD22 ASN 32 -6.210 -2.032 -9.189 291 H GLY 33 H GLY 33 -10.452 1.599 -7.174 292 HA2 GLY 33 HA2 GLY 33 -9.594 3.080 -9.476 293 HA3 GLY 33 HA3 GLY 33 -11.005 3.422 -8.473 294 H ILE 34 H ILE 34 -10.009 3.887 -6.014 295 HA ILE 34 HA ILE 34 -8.896 6.414 -6.372 296 HB ILE 34 HB ILE 34 -9.883 4.967 -3.999 297 HG12 ILE 34 HG12 ILE 34 -11.098 7.179 -3.783 298 HG13 ILE 34 HG13 ILE 34 -10.130 7.710 -5.187 299 HG21 ILE 34 HG21 ILE 34 -8.045 7.362 -3.724 300 HG22 ILE 34 HG22 ILE 34 -7.758 5.729 -3.096 301 HG23 ILE 34 HG23 ILE 34 -9.076 6.693 -2.459 302 HD11 ILE 34 HD11 ILE 34 -11.819 5.223 -5.375 303 HD12 ILE 34 HD12 ILE 34 -11.210 6.268 -6.662 304 HD13 ILE 34 HD13 ILE 34 -12.522 6.813 -5.622 305 H GLU 35 H GLU 35 -7.343 3.484 -5.275 306 HA GLU 35 HA GLU 35 -4.848 4.741 -4.776 307 HB2 GLU 35 HB2 GLU 35 -5.733 2.172 -4.473 308 HB3 GLU 35 HB3 GLU 35 -4.776 2.004 -5.941 309 HG2 GLU 35 HG2 GLU 35 -3.185 3.572 -4.247 310 HG3 GLU 35 HG3 GLU 35 -3.940 2.415 -3.179 311 H LYS 36 H LYS 36 -6.734 4.178 -7.529 312 HA LYS 36 HA LYS 36 -4.542 4.253 -9.389 313 HB2 LYS 36 HB2 LYS 36 -7.259 3.476 -9.571 314 HB3 LYS 36 HB3 LYS 36 -7.033 4.760 -10.726 315 HG2 LYS 36 HG2 LYS 36 -5.116 3.723 -11.648 316 HG3 LYS 36 HG3 LYS 36 -5.140 2.439 -10.454 317 HD2 LYS 36 HD2 LYS 36 -7.541 1.906 -11.294 318 HD3 LYS 36 HD3 LYS 36 -7.182 2.945 -12.672 319 HE2 LYS 36 HE2 LYS 36 -5.772 0.390 -11.877 320 HE3 LYS 36 HE3 LYS 36 -6.718 0.683 -13.330 321 HZ1 LYS 36 HZ1 LYS 36 -4.955 2.533 -13.772 322 HZ2 LYS 36 HZ2 LYS 36 -4.571 0.927 -14.067 323 HZ3 LYS 36 HZ3 LYS 36 -4.007 1.632 -12.668 324 H ASN 37 H ASN 37 -4.229 6.290 -7.835 325 HA ASN 37 HA ASN 37 -3.197 8.150 -8.593 326 HB2 ASN 37 HB2 ASN 37 -4.254 7.970 -10.843 327 HB3 ASN 37 HB3 ASN 37 -5.602 8.903 -10.143 328 HD21 ASN 37 HD21 ASN 37 -1.995 9.147 -10.344 329 HD22 ASN 37 HD22 ASN 37 -1.985 10.822 -10.607 330 H LYS 38 H LYS 38 -5.853 7.672 -6.754 331 HA LYS 38 HA LYS 38 -6.417 10.526 -6.365 332 HB2 LYS 38 HB2 LYS 38 -8.025 8.067 -5.731 333 HB3 LYS 38 HB3 LYS 38 -8.461 9.675 -5.169 334 HG2 LYS 38 HG2 LYS 38 -9.198 10.327 -7.180 335 HG3 LYS 38 HG3 LYS 38 -7.766 9.764 -8.006 336 HD2 LYS 38 HD2 LYS 38 -8.667 7.445 -7.939 337 HD3 LYS 38 HD3 LYS 38 -10.196 8.071 -7.275 338 HE2 LYS 38 HE2 LYS 38 -8.871 8.773 -9.895 339 HE3 LYS 38 HE3 LYS 38 -10.324 7.786 -9.715 340 HZ1 LYS 38 HZ1 LYS 38 -11.459 9.706 -8.769 341 HZ2 LYS 38 HZ2 LYS 38 -10.891 10.084 -10.297 342 HZ3 LYS 38 HZ3 LYS 38 -10.103 10.664 -8.910 343 H TYR 39 H TYR 39 -6.024 7.596 -4.387 344 HA TYR 39 HA TYR 39 -4.400 9.134 -2.530 345 HB2 TYR 39 HB2 TYR 39 -6.961 7.799 -1.678 346 HB3 TYR 39 HB3 TYR 39 -5.636 8.056 -0.566 347 HD1 TYR 39 HD1 TYR 39 -4.659 10.403 -0.340 348 HD2 TYR 39 HD2 TYR 39 -8.451 9.612 -2.193 349 HE1 TYR 39 HE1 TYR 39 -5.289 12.738 -0.004 350 HE2 TYR 39 HE2 TYR 39 -9.101 11.969 -1.863 351 HH TYR 39 HH TYR 39 -6.972 14.232 -0.094 352 H ASN 40 H ASN 40 -3.071 7.909 -1.228 353 HA ASN 40 HA ASN 40 -2.642 5.141 -2.119 354 HB2 ASN 40 HB2 ASN 40 -0.930 7.221 -0.985 355 HB3 ASN 40 HB3 ASN 40 -0.870 5.750 -0.025 356 HD21 ASN 40 HD21 ASN 40 1.137 6.939 -1.970 357 HD22 ASN 40 HD22 ASN 40 1.498 5.678 -3.032 358 HA PRO 41 HA PRO 41 -4.679 3.399 1.346 359 HB2 PRO 41 HB2 PRO 41 -2.120 2.204 2.336 360 HB3 PRO 41 HB3 PRO 41 -3.685 1.422 2.018 361 HG2 PRO 41 HG2 PRO 41 -1.722 1.069 0.338 362 HG3 PRO 41 HG3 PRO 41 -3.348 1.373 -0.279 363 HD2 PRO 41 HD2 PRO 41 -1.040 3.283 -0.154 364 HD3 PRO 41 HD3 PRO 41 -2.273 3.073 -1.420 365 H SER 42 H SER 42 -5.250 4.280 3.286 366 HA SER 42 HA SER 42 -3.653 6.355 4.427 367 HB2 SER 42 HB2 SER 42 -6.145 5.125 5.601 368 HB3 SER 42 HB3 SER 42 -5.509 6.738 5.860 369 HG SER 42 HG SER 42 -5.781 7.025 3.532 370 H LEU 43 H LEU 43 -2.904 6.399 6.629 371 HA LEU 43 HA LEU 43 -1.365 4.150 7.264 372 HB2 LEU 43 HB2 LEU 43 -2.108 6.633 8.786 373 HB3 LEU 43 HB3 LEU 43 -1.241 5.349 9.593 374 HG LEU 43 HG LEU 43 0.071 7.309 8.354 375 HD11 LEU 43 HD11 LEU 43 1.551 4.968 7.683 376 HD12 LEU 43 HD12 LEU 43 0.733 4.701 9.217 377 HD13 LEU 43 HD13 LEU 43 1.781 6.099 9.001 378 HD21 LEU 43 HD21 LEU 43 -0.999 6.808 6.101 379 HD22 LEU 43 HD22 LEU 43 -0.159 5.246 6.111 380 HD23 LEU 43 HD23 LEU 43 0.760 6.732 6.108 381 H GLN 44 H GLN 44 -4.471 5.207 8.519 382 HA GLN 44 HA GLN 44 -4.757 3.358 10.597 383 HB2 GLN 44 HB2 GLN 44 -6.901 4.509 8.791 384 HB3 GLN 44 HB3 GLN 44 -7.171 3.736 10.352 385 HG2 GLN 44 HG2 GLN 44 -7.047 5.887 11.101 386 HG3 GLN 44 HG3 GLN 44 -5.325 5.530 11.123 387 HE21 GLN 44 HE21 GLN 44 -7.597 7.734 9.903 388 HE22 GLN 44 HE22 GLN 44 -6.629 8.431 8.697 389 H LEU 45 H LEU 45 -5.847 3.045 7.198 390 HA LEU 45 HA LEU 45 -6.498 0.250 7.644 391 HB2 LEU 45 HB2 LEU 45 -7.149 0.184 5.257 392 HB3 LEU 45 HB3 LEU 45 -7.959 1.454 6.149 393 HG LEU 45 HG LEU 45 -6.016 3.002 5.319 394 HD11 LEU 45 HD11 LEU 45 -5.660 1.756 2.825 395 HD12 LEU 45 HD12 LEU 45 -5.360 0.492 4.009 396 HD13 LEU 45 HD13 LEU 45 -4.454 2.005 4.080 397 HD21 LEU 45 HD21 LEU 45 -7.340 3.662 3.479 398 HD22 LEU 45 HD22 LEU 45 -8.508 2.867 4.524 399 HD23 LEU 45 HD23 LEU 45 -7.852 2.019 3.130 400 H ALA 46 H ALA 46 -3.806 2.056 6.496 401 HA ALA 46 HA ALA 46 -2.598 0.203 4.872 402 HB1 ALA 46 HB1 ALA 46 -1.679 2.455 5.025 403 HB2 ALA 46 HB2 ALA 46 -0.434 1.294 5.445 404 HB3 ALA 46 HB3 ALA 46 -1.257 2.187 6.719 405 H LEU 47 H LEU 47 -2.891 0.247 8.313 406 HA LEU 47 HA LEU 47 -0.785 -1.485 9.026 407 HB2 LEU 47 HB2 LEU 47 -3.544 -1.122 10.245 408 HB3 LEU 47 HB3 LEU 47 -2.259 -2.053 10.997 409 HG LEU 47 HG LEU 47 -1.959 0.880 10.253 410 HD11 LEU 47 HD11 LEU 47 -3.727 0.640 11.937 411 HD12 LEU 47 HD12 LEU 47 -2.276 1.341 12.641 412 HD13 LEU 47 HD13 LEU 47 -2.654 -0.351 12.937 413 HD21 LEU 47 HD21 LEU 47 0.134 -0.619 10.589 414 HD22 LEU 47 HD22 LEU 47 -0.405 -0.778 12.262 415 HD23 LEU 47 HD23 LEU 47 0.006 0.799 11.612 416 H LYS 48 H LYS 48 -4.106 -2.090 7.989 417 HA LYS 48 HA LYS 48 -3.902 -4.949 8.100 418 HB2 LYS 48 HB2 LYS 48 -5.884 -3.068 6.824 419 HB3 LYS 48 HB3 LYS 48 -5.973 -4.806 6.601 420 HG2 LYS 48 HG2 LYS 48 -7.208 -4.759 8.474 421 HG3 LYS 48 HG3 LYS 48 -5.663 -4.721 9.320 422 HD2 LYS 48 HD2 LYS 48 -5.780 -2.202 9.278 423 HD3 LYS 48 HD3 LYS 48 -7.401 -2.317 8.601 424 HE2 LYS 48 HE2 LYS 48 -6.513 -3.468 11.272 425 HE3 LYS 48 HE3 LYS 48 -7.502 -2.035 11.049 426 HZ1 LYS 48 HZ1 LYS 48 -9.189 -3.432 9.929 427 HZ2 LYS 48 HZ2 LYS 48 -8.903 -3.953 11.508 428 HZ3 LYS 48 HZ3 LYS 48 -8.236 -4.801 10.236 429 H ILE 49 H ILE 49 -3.618 -2.564 5.492 430 HA ILE 49 HA ILE 49 -3.283 -4.530 3.490 431 HB ILE 49 HB ILE 49 -3.915 -1.996 3.252 432 HG12 ILE 49 HG12 ILE 49 -2.168 -3.488 1.270 433 HG13 ILE 49 HG13 ILE 49 -3.921 -3.604 1.396 434 HG21 ILE 49 HG21 ILE 49 -1.506 -1.351 4.100 435 HG22 ILE 49 HG22 ILE 49 -2.189 -0.496 2.715 436 HG23 ILE 49 HG23 ILE 49 -1.020 -1.770 2.459 437 HD11 ILE 49 HD11 ILE 49 -3.752 -2.033 -0.304 438 HD12 ILE 49 HD12 ILE 49 -2.229 -1.396 0.300 439 HD13 ILE 49 HD13 ILE 49 -3.744 -0.945 1.079 440 H ALA 50 H ALA 50 -0.925 -2.622 5.345 441 HA ALA 50 HA ALA 50 1.367 -3.437 3.944 442 HB1 ALA 50 HB1 ALA 50 1.543 -2.870 6.873 443 HB2 ALA 50 HB2 ALA 50 1.053 -1.568 5.783 444 HB3 ALA 50 HB3 ALA 50 2.602 -2.365 5.568 445 H TYR 51 H TYR 51 -0.051 -4.739 6.917 446 HA TYR 51 HA TYR 51 1.883 -6.708 7.357 447 HB2 TYR 51 HB2 TYR 51 0.286 -6.168 9.089 448 HB3 TYR 51 HB3 TYR 51 -1.059 -6.750 8.111 449 HD1 TYR 51 HD1 TYR 51 2.052 -7.776 9.886 450 HD2 TYR 51 HD2 TYR 51 -1.539 -9.094 7.914 451 HE1 TYR 51 HE1 TYR 51 2.461 -10.053 10.670 452 HE2 TYR 51 HE2 TYR 51 -1.135 -11.386 8.715 453 HH TYR 51 HH TYR 51 0.888 -12.728 9.404 454 H TYR 52 H TYR 52 -1.205 -6.923 5.612 455 HA TYR 52 HA TYR 52 -0.889 -9.617 4.785 456 HB2 TYR 52 HB2 TYR 52 -3.042 -8.309 4.619 457 HB3 TYR 52 HB3 TYR 52 -2.332 -7.412 3.284 458 HD1 TYR 52 HD1 TYR 52 -3.410 -10.781 4.417 459 HD2 TYR 52 HD2 TYR 52 -2.069 -8.415 1.076 460 HE1 TYR 52 HE1 TYR 52 -4.015 -12.602 2.876 461 HE2 TYR 52 HE2 TYR 52 -2.678 -10.258 -0.458 462 HH TYR 52 HH TYR 52 -4.642 -12.420 -0.004 463 H LEU 53 H LEU 53 0.031 -6.495 3.427 464 HA LEU 53 HA LEU 53 1.149 -7.469 1.039 465 HB2 LEU 53 HB2 LEU 53 1.370 -4.913 2.542 466 HB3 LEU 53 HB3 LEU 53 2.547 -5.233 1.287 467 HG LEU 53 HG LEU 53 -0.457 -5.370 0.892 468 HD11 LEU 53 HD11 LEU 53 0.940 -3.078 1.200 469 HD12 LEU 53 HD12 LEU 53 -0.375 -3.220 0.045 470 HD13 LEU 53 HD13 LEU 53 1.294 -3.392 -0.496 471 HD21 LEU 53 HD21 LEU 53 0.258 -6.725 -0.781 472 HD22 LEU 53 HD22 LEU 53 1.923 -6.168 -0.696 473 HD23 LEU 53 HD23 LEU 53 0.737 -5.220 -1.575 474 H ASN 54 H ASN 54 2.127 -8.456 3.923 475 HA ASN 54 HA ASN 54 4.099 -9.349 4.662 476 HB2 ASN 54 HB2 ASN 54 4.576 -9.238 1.703 477 HB3 ASN 54 HB3 ASN 54 5.794 -9.836 2.798 478 HD21 ASN 54 HD21 ASN 54 4.111 -11.357 0.743 479 HD22 ASN 54 HD22 ASN 54 3.321 -12.565 1.627 480 H THR 55 H THR 55 3.758 -6.502 4.704 481 HA THR 55 HA THR 55 6.530 -5.750 4.823 482 HB THR 55 HB THR 55 4.841 -5.171 2.694 483 HG1 THR 55 HG1 THR 55 7.240 -3.718 3.158 484 HG21 THR 55 HG21 THR 55 4.891 -2.679 2.598 485 HG22 THR 55 HG22 THR 55 5.423 -2.640 4.279 486 HG23 THR 55 HG23 THR 55 3.844 -3.301 3.861 487 HA PRO 56 HA PRO 56 4.642 -4.077 8.550 488 HB2 PRO 56 HB2 PRO 56 7.180 -2.515 8.606 489 HB3 PRO 56 HB3 PRO 56 6.396 -3.459 9.887 490 HG2 PRO 56 HG2 PRO 56 8.521 -4.396 8.592 491 HG3 PRO 56 HG3 PRO 56 7.209 -5.469 9.117 492 HD2 PRO 56 HD2 PRO 56 7.907 -4.612 6.360 493 HD3 PRO 56 HD3 PRO 56 7.041 -6.045 6.923 494 H LEU 57 H LEU 57 3.600 -2.143 9.071 495 HA LEU 57 HA LEU 57 2.984 -0.308 7.039 496 HB2 LEU 57 HB2 LEU 57 1.583 -0.652 9.032 497 HB3 LEU 57 HB3 LEU 57 2.841 0.011 10.063 498 HG LEU 57 HG LEU 57 0.831 1.530 9.331 499 HD11 LEU 57 HD11 LEU 57 2.740 3.423 8.933 500 HD12 LEU 57 HD12 LEU 57 3.690 2.164 9.714 501 HD13 LEU 57 HD13 LEU 57 2.252 2.800 10.494 502 HD21 LEU 57 HD21 LEU 57 2.632 2.050 6.934 503 HD22 LEU 57 HD22 LEU 57 1.009 2.647 7.250 504 HD23 LEU 57 HD23 LEU 57 1.252 0.956 6.845 505 H GLU 58 H GLU 58 5.305 -0.331 9.644 506 HA GLU 58 HA GLU 58 6.468 2.220 9.226 507 HB2 GLU 58 HB2 GLU 58 7.666 -0.287 10.435 508 HB3 GLU 58 HB3 GLU 58 8.262 1.341 10.644 509 HG2 GLU 58 HG2 GLU 58 6.959 1.081 12.571 510 HG3 GLU 58 HG3 GLU 58 5.821 1.895 11.499 511 H ASP 59 H ASP 59 6.744 -0.857 7.589 512 HA ASP 59 HA ASP 59 9.319 -0.448 6.398 513 HB2 ASP 59 HB2 ASP 59 8.309 -2.674 6.537 514 HB3 ASP 59 HB3 ASP 59 7.012 -2.189 5.468 515 H ILE 60 H ILE 60 6.036 0.408 5.571 516 HA ILE 60 HA ILE 60 6.961 1.731 3.112 517 HB ILE 60 HB ILE 60 4.615 2.123 2.602 518 HG12 ILE 60 HG12 ILE 60 3.968 0.595 5.156 519 HG13 ILE 60 HG13 ILE 60 3.812 2.348 5.003 520 HG21 ILE 60 HG21 ILE 60 4.194 -0.643 3.259 521 HG22 ILE 60 HG22 ILE 60 5.876 -0.430 2.780 522 HG23 ILE 60 HG23 ILE 60 4.570 0.068 1.698 523 HD11 ILE 60 HD11 ILE 60 2.418 0.435 3.133 524 HD12 ILE 60 HD12 ILE 60 2.113 2.159 3.362 525 HD13 ILE 60 HD13 ILE 60 1.697 1.005 4.633 526 H PHE 61 H PHE 61 5.460 2.424 6.222 527 HA PHE 61 HA PHE 61 5.377 5.248 5.696 528 HB2 PHE 61 HB2 PHE 61 3.717 4.117 7.156 529 HB3 PHE 61 HB3 PHE 61 4.994 3.793 8.322 530 HD1 PHE 61 HD1 PHE 61 3.620 6.696 6.340 531 HD2 PHE 61 HD2 PHE 61 5.296 5.331 10.068 532 HE1 PHE 61 HE1 PHE 61 3.329 8.954 7.305 533 HE2 PHE 61 HE2 PHE 61 5.005 7.587 11.021 534 HZ PHE 61 HZ PHE 61 4.016 9.402 9.645 535 H GLN 62 H GLN 62 7.524 5.568 5.140 536 HA GLN 62 HA GLN 62 9.377 5.758 7.445 537 HB2 GLN 62 HB2 GLN 62 10.017 5.462 4.493 538 HB3 GLN 62 HB3 GLN 62 11.214 5.721 5.760 539 HG2 GLN 62 HG2 GLN 62 10.426 3.649 6.895 540 HG3 GLN 62 HG3 GLN 62 9.313 3.400 5.547 541 HE21 GLN 62 HE21 GLN 62 10.191 1.640 4.425 542 HE22 GLN 62 HE22 GLN 62 11.792 1.558 3.877 543 H TRP 63 H TRP 63 11.153 7.548 6.479 544 HA TRP 63 HA TRP 63 9.488 9.965 6.338 545 HB2 TRP 63 HB2 TRP 63 12.473 9.969 6.635 546 HB3 TRP 63 HB3 TRP 63 11.300 11.140 7.224 547 HD1 TRP 63 HD1 TRP 63 13.561 9.147 8.805 548 HE1 TRP 63 HE1 TRP 63 12.718 7.965 10.940 549 HE3 TRP 63 HE3 TRP 63 8.503 9.546 8.124 550 HZ2 TRP 63 HZ2 TRP 63 10.248 7.292 12.190 551 HZ3 TRP 63 HZ3 TRP 63 6.943 8.625 9.798 552 HH2 TRP 63 HH2 TRP 63 7.813 7.497 11.838 553 H GLN 64 H GLN 64 9.324 11.107 4.573 554 HA GLN 64 HA GLN 64 10.020 12.258 2.669 555 HB2 GLN 64 HB2 GLN 64 12.068 10.080 2.120 556 HB3 GLN 64 HB3 GLN 64 11.848 11.572 1.253 557 HG2 GLN 64 HG2 GLN 64 12.842 12.852 2.821 558 HG3 GLN 64 HG3 GLN 64 12.182 11.917 4.166 559 HE21 GLN 64 HE21 GLN 64 13.180 9.405 3.786 560 HE22 GLN 64 HE22 GLN 64 14.877 9.391 3.766 561 HA PRO 65 HA PRO 65 8.362 8.506 0.085 562 HB2 PRO 65 HB2 PRO 65 6.151 7.482 1.185 563 HB3 PRO 65 HB3 PRO 65 7.744 6.797 1.486 564 HG2 PRO 65 HG2 PRO 65 6.068 8.484 3.256 565 HG3 PRO 65 HG3 PRO 65 7.197 7.207 3.659 566 HD2 PRO 65 HD2 PRO 65 7.798 9.888 3.912 567 HD3 PRO 65 HD3 PRO 65 8.993 8.573 3.764 568 H GLU 66 H GLU 66 5.677 9.722 2.070 569 HA GLU 66 HA GLU 66 4.774 11.534 -0.031 570 HB2 GLU 66 HB2 GLU 66 3.185 9.121 0.899 571 HB3 GLU 66 HB3 GLU 66 2.495 10.480 0.023 572 HG2 GLU 66 HG2 GLU 66 3.934 10.108 -1.870 573 HG3 GLU 66 HG3 GLU 66 4.831 8.851 -1.016 Start of MODEL 3 1 H1 MET 1 H1 MET 1 17.675 2.422 -0.571 2 HA MET 1 HA MET 1 16.192 4.466 -1.899 3 HB2 MET 1 HB2 MET 1 14.111 2.615 -1.586 4 HB3 MET 1 HB3 MET 1 14.776 3.216 -3.100 5 HG2 MET 1 HG2 MET 1 16.387 1.370 -3.178 6 HG3 MET 1 HG3 MET 1 15.844 0.806 -1.611 7 HE1 MET 1 HE1 MET 1 12.580 0.934 -1.672 8 HE2 MET 1 HE2 MET 1 13.829 -0.132 -0.994 9 HE3 MET 1 HE3 MET 1 12.584 -0.823 -1.982 10 H ILE 2 H ILE 2 14.835 5.489 -0.493 11 HA ILE 2 HA ILE 2 14.929 4.629 2.314 12 HB ILE 2 HB ILE 2 13.961 6.846 2.782 13 HG12 ILE 2 HG12 ILE 2 14.113 7.322 -0.219 14 HG13 ILE 2 HG13 ILE 2 12.620 6.978 0.637 15 HG21 ILE 2 HG21 ILE 2 15.838 8.172 2.186 16 HG22 ILE 2 HG22 ILE 2 16.228 7.160 0.802 17 HG23 ILE 2 HG23 ILE 2 16.428 6.534 2.461 18 HD11 ILE 2 HD11 ILE 2 13.188 8.958 2.155 19 HD12 ILE 2 HD12 ILE 2 12.726 9.344 0.493 20 HD13 ILE 2 HD13 ILE 2 14.429 9.349 0.958 21 H ILE 3 H ILE 3 12.476 5.757 3.105 22 HA ILE 3 HA ILE 3 10.679 3.641 2.377 23 HB ILE 3 HB ILE 3 9.052 4.823 3.768 24 HG12 ILE 3 HG12 ILE 3 11.223 6.886 4.253 25 HG13 ILE 3 HG13 ILE 3 9.936 7.192 3.108 26 HG21 ILE 3 HG21 ILE 3 11.118 5.123 5.679 27 HG22 ILE 3 HG22 ILE 3 11.665 3.870 4.587 28 HG23 ILE 3 HG23 ILE 3 10.106 3.705 5.413 29 HD11 ILE 3 HD11 ILE 3 9.459 6.420 5.989 30 HD12 ILE 3 HD12 ILE 3 8.272 6.974 4.815 31 HD13 ILE 3 HD13 ILE 3 9.491 8.091 5.418 32 H ASN 4 H ASN 4 8.895 3.760 1.031 33 HA ASN 4 HA ASN 4 8.567 6.206 -0.547 34 HB2 ASN 4 HB2 ASN 4 10.283 4.476 -1.513 35 HB3 ASN 4 HB3 ASN 4 8.826 3.629 -2.044 36 HD21 ASN 4 HD21 ASN 4 11.026 5.990 -3.010 37 HD22 ASN 4 HD22 ASN 4 10.044 6.803 -4.128 38 H ASN 5 H ASN 5 6.841 5.810 -2.246 39 HA ASN 5 HA ASN 5 4.406 5.535 -0.974 40 HB2 ASN 5 HB2 ASN 5 4.864 6.644 -3.224 41 HB3 ASN 5 HB3 ASN 5 4.798 5.040 -3.924 42 HD21 ASN 5 HD21 ASN 5 2.878 7.719 -3.194 43 HD22 ASN 5 HD22 ASN 5 1.370 6.954 -3.244 44 H LEU 6 H LEU 6 2.647 4.026 -1.423 45 HA LEU 6 HA LEU 6 3.279 1.405 -0.656 46 HB2 LEU 6 HB2 LEU 6 1.029 2.808 -0.569 47 HB3 LEU 6 HB3 LEU 6 0.755 2.059 -2.130 48 HG LEU 6 HG LEU 6 -0.304 0.665 -0.504 49 HD11 LEU 6 HD11 LEU 6 1.156 -0.441 -2.296 50 HD12 LEU 6 HD12 LEU 6 0.634 -1.405 -0.934 51 HD13 LEU 6 HD13 LEU 6 2.290 -0.801 -0.984 52 HD21 LEU 6 HD21 LEU 6 0.663 -0.066 1.531 53 HD22 LEU 6 HD22 LEU 6 1.168 1.616 1.389 54 HD23 LEU 6 HD23 LEU 6 2.310 0.349 0.990 55 H LYS 7 H LYS 7 2.564 2.866 -3.808 56 HA LYS 7 HA LYS 7 2.418 0.523 -5.382 57 HB2 LYS 7 HB2 LYS 7 4.016 2.546 -6.784 58 HB3 LYS 7 HB3 LYS 7 2.452 1.881 -7.174 59 HG2 LYS 7 HG2 LYS 7 2.946 4.101 -5.196 60 HG3 LYS 7 HG3 LYS 7 2.459 4.326 -6.865 61 HD2 LYS 7 HD2 LYS 7 0.398 2.928 -6.394 62 HD3 LYS 7 HD3 LYS 7 0.898 2.948 -4.690 63 HE2 LYS 7 HE2 LYS 7 0.758 5.382 -4.614 64 HE3 LYS 7 HE3 LYS 7 0.385 5.457 -6.315 65 HZ1 LYS 7 HZ1 LYS 7 -1.231 4.020 -4.323 66 HZ2 LYS 7 HZ2 LYS 7 -1.685 4.266 -5.931 67 HZ3 LYS 7 HZ3 LYS 7 -1.635 5.574 -4.828 68 H LEU 8 H LEU 8 5.099 2.571 -4.539 69 HA LEU 8 HA LEU 8 7.057 1.219 -5.932 70 HB2 LEU 8 HB2 LEU 8 7.113 3.179 -3.676 71 HB3 LEU 8 HB3 LEU 8 8.615 2.404 -4.175 72 HG LEU 8 HG LEU 8 8.171 4.604 -5.336 73 HD11 LEU 8 HD11 LEU 8 8.109 3.022 -7.697 74 HD12 LEU 8 HD12 LEU 8 9.041 2.150 -6.480 75 HD13 LEU 8 HD13 LEU 8 9.467 3.801 -6.908 76 HD21 LEU 8 HD21 LEU 8 5.611 4.211 -5.541 77 HD22 LEU 8 HD22 LEU 8 6.011 3.123 -6.875 78 HD23 LEU 8 HD23 LEU 8 6.434 4.819 -6.946 79 H ILE 9 H ILE 9 6.051 0.885 -2.523 80 HA ILE 9 HA ILE 9 8.034 -1.130 -1.952 81 HB ILE 9 HB ILE 9 5.442 -0.618 -0.426 82 HG12 ILE 9 HG12 ILE 9 6.817 1.477 -0.614 83 HG13 ILE 9 HG13 ILE 9 6.848 0.839 1.017 84 HG21 ILE 9 HG21 ILE 9 6.849 -1.541 1.455 85 HG22 ILE 9 HG22 ILE 9 8.014 -2.034 0.240 86 HG23 ILE 9 HG23 ILE 9 6.403 -2.709 0.216 87 HD11 ILE 9 HD11 ILE 9 9.036 1.071 -0.934 88 HD12 ILE 9 HD12 ILE 9 9.000 -0.477 -0.092 89 HD13 ILE 9 HD13 ILE 9 9.093 1.013 0.822 90 H ARG 10 H ARG 10 4.621 -1.189 -2.814 91 HA ARG 10 HA ARG 10 4.141 -3.912 -2.388 92 HB2 ARG 10 HB2 ARG 10 2.468 -2.046 -2.838 93 HB3 ARG 10 HB3 ARG 10 2.853 -2.270 -4.548 94 HG2 ARG 10 HG2 ARG 10 2.380 -4.835 -3.827 95 HG3 ARG 10 HG3 ARG 10 1.309 -4.006 -2.692 96 HD2 ARG 10 HD2 ARG 10 1.207 -4.110 -5.671 97 HD3 ARG 10 HD3 ARG 10 -0.065 -4.315 -4.512 98 HE ARG 10 HE ARG 10 0.068 -1.861 -4.053 99 HH11 ARG 10 HH11 ARG 10 1.395 -3.145 -7.059 100 HH12 ARG 10 HH12 ARG 10 1.233 -1.681 -7.907 101 HH21 ARG 10 HH21 ARG 10 -0.149 0.147 -5.266 102 HH22 ARG 10 HH22 ARG 10 0.356 0.167 -6.902 103 H GLU 11 H GLU 11 5.075 -2.248 -5.376 104 HA GLU 11 HA GLU 11 4.901 -4.446 -7.080 105 HB2 GLU 11 HB2 GLU 11 6.232 -3.159 -8.645 106 HB3 GLU 11 HB3 GLU 11 5.111 -2.074 -7.801 107 HG2 GLU 11 HG2 GLU 11 6.883 -1.419 -6.231 108 HG3 GLU 11 HG3 GLU 11 8.023 -2.460 -7.069 109 H LYS 12 H LYS 12 7.510 -3.379 -5.027 110 HA LYS 12 HA LYS 12 9.592 -4.898 -6.124 111 HB2 LYS 12 HB2 LYS 12 9.235 -4.122 -3.225 112 HB3 LYS 12 HB3 LYS 12 10.753 -4.544 -4.002 113 HG2 LYS 12 HG2 LYS 12 8.968 -2.312 -4.850 114 HG3 LYS 12 HG3 LYS 12 10.430 -2.044 -3.876 115 HD2 LYS 12 HD2 LYS 12 11.760 -3.013 -5.717 116 HD3 LYS 12 HD3 LYS 12 10.325 -3.241 -6.694 117 HE2 LYS 12 HE2 LYS 12 11.864 -0.794 -6.163 118 HE3 LYS 12 HE3 LYS 12 10.863 -1.279 -7.531 119 HZ1 LYS 12 HZ1 LYS 12 9.221 -0.683 -5.192 120 HZ2 LYS 12 HZ2 LYS 12 9.133 -0.198 -6.811 121 HZ3 LYS 12 HZ3 LYS 12 10.155 0.613 -5.778 122 H LYS 13 H LYS 13 7.290 -5.728 -3.611 123 HA LYS 13 HA LYS 13 8.445 -8.388 -3.443 124 HB2 LYS 13 HB2 LYS 13 6.801 -8.785 -1.620 125 HB3 LYS 13 HB3 LYS 13 7.880 -7.408 -1.322 126 HG2 LYS 13 HG2 LYS 13 6.123 -5.870 -1.948 127 HG3 LYS 13 HG3 LYS 13 5.046 -7.186 -2.405 128 HD2 LYS 13 HD2 LYS 13 4.305 -6.926 -0.344 129 HD3 LYS 13 HD3 LYS 13 5.645 -7.968 0.126 130 HE2 LYS 13 HE2 LYS 13 6.464 -5.093 -0.009 131 HE3 LYS 13 HE3 LYS 13 5.124 -5.335 1.027 132 HZ1 LYS 13 HZ1 LYS 13 7.754 -6.697 1.281 133 HZ2 LYS 13 HZ2 LYS 13 6.423 -7.102 2.251 134 HZ3 LYS 13 HZ3 LYS 13 7.019 -5.567 2.297 135 H LYS 14 H LYS 14 6.607 -7.048 -5.600 136 HA LYS 14 HA LYS 14 5.370 -7.818 -7.315 137 HB2 LYS 14 HB2 LYS 14 5.812 -10.650 -6.469 138 HB3 LYS 14 HB3 LYS 14 5.777 -9.968 -8.088 139 HG2 LYS 14 HG2 LYS 14 8.014 -9.681 -6.028 140 HG3 LYS 14 HG3 LYS 14 8.040 -10.526 -7.560 141 HD2 LYS 14 HD2 LYS 14 7.523 -8.173 -8.651 142 HD3 LYS 14 HD3 LYS 14 8.008 -7.577 -7.073 143 HE2 LYS 14 HE2 LYS 14 9.739 -9.400 -8.752 144 HE3 LYS 14 HE3 LYS 14 9.898 -7.656 -8.690 145 HZ1 LYS 14 HZ1 LYS 14 10.070 -8.001 -6.138 146 HZ2 LYS 14 HZ2 LYS 14 11.404 -8.462 -7.077 147 HZ3 LYS 14 HZ3 LYS 14 10.309 -9.615 -6.527 148 H ILE 15 H ILE 15 4.105 -7.825 -4.417 149 HA ILE 15 HA ILE 15 1.812 -9.567 -4.954 150 HB ILE 15 HB ILE 15 2.608 -7.840 -2.612 151 HG12 ILE 15 HG12 ILE 15 1.594 -10.394 -1.888 152 HG13 ILE 15 HG13 ILE 15 2.610 -10.664 -3.283 153 HG21 ILE 15 HG21 ILE 15 -0.073 -9.205 -2.959 154 HG22 ILE 15 HG22 ILE 15 0.145 -7.451 -3.065 155 HG23 ILE 15 HG23 ILE 15 0.457 -8.296 -1.558 156 HD11 ILE 15 HD11 ILE 15 4.458 -9.436 -2.175 157 HD12 ILE 15 HD12 ILE 15 3.929 -10.813 -1.212 158 HD13 ILE 15 HD13 ILE 15 3.421 -9.176 -0.768 159 H SER 16 H SER 16 0.017 -8.922 -5.969 160 HA SER 16 HA SER 16 -0.040 -6.200 -6.958 161 HB2 SER 16 HB2 SER 16 -2.239 -8.165 -7.444 162 HB3 SER 16 HB3 SER 16 -1.576 -6.933 -8.501 163 HG SER 16 HG SER 16 -0.578 -9.444 -7.748 164 H GLN 17 H GLN 17 -1.883 -4.870 -6.842 165 HA GLN 17 HA GLN 17 -2.952 -4.420 -4.288 166 HB2 GLN 17 HB2 GLN 17 -4.184 -3.634 -6.954 167 HB3 GLN 17 HB3 GLN 17 -4.444 -2.866 -5.395 168 HG2 GLN 17 HG2 GLN 17 -2.810 -1.456 -6.183 169 HG3 GLN 17 HG3 GLN 17 -1.776 -2.633 -5.432 170 HE21 GLN 17 HE21 GLN 17 -1.927 -0.926 -8.209 171 HE22 GLN 17 HE22 GLN 17 -1.220 -2.031 -9.286 172 H SER 18 H SER 18 -3.994 -6.267 -7.055 173 HA SER 18 HA SER 18 -6.588 -6.938 -6.283 174 HB2 SER 18 HB2 SER 18 -5.608 -9.147 -7.657 175 HB3 SER 18 HB3 SER 18 -6.399 -7.737 -8.349 176 HG SER 18 HG SER 18 -4.043 -8.492 -8.897 177 H GLU 19 H GLU 19 -3.472 -8.315 -5.334 178 HA GLU 19 HA GLU 19 -4.553 -10.593 -4.011 179 HB2 GLU 19 HB2 GLU 19 -1.871 -9.177 -3.871 180 HB3 GLU 19 HB3 GLU 19 -2.295 -10.392 -2.700 181 HG2 GLU 19 HG2 GLU 19 -1.172 -11.541 -4.322 182 HG3 GLU 19 HG3 GLU 19 -2.846 -11.916 -4.703 183 H LEU 20 H LEU 20 -3.440 -7.516 -2.887 184 HA LEU 20 HA LEU 20 -4.207 -8.041 -0.155 185 HB2 LEU 20 HB2 LEU 20 -3.379 -5.720 0.225 186 HB3 LEU 20 HB3 LEU 20 -2.198 -6.866 -0.393 187 HG LEU 20 HG LEU 20 -2.973 -5.944 -2.776 188 HD11 LEU 20 HD11 LEU 20 -4.241 -4.100 -0.880 189 HD12 LEU 20 HD12 LEU 20 -4.533 -4.412 -2.596 190 HD13 LEU 20 HD13 LEU 20 -3.257 -3.309 -2.123 191 HD21 LEU 20 HD21 LEU 20 -0.742 -5.577 -2.317 192 HD22 LEU 20 HD22 LEU 20 -1.064 -4.760 -0.786 193 HD23 LEU 20 HD23 LEU 20 -1.334 -3.924 -2.312 194 H ALA 21 H ALA 21 -5.474 -5.992 -2.661 195 HA ALA 21 HA ALA 21 -6.696 -4.112 -1.240 196 HB1 ALA 21 HB1 ALA 21 -8.204 -3.679 -3.116 197 HB2 ALA 21 HB2 ALA 21 -7.782 -5.260 -3.804 198 HB3 ALA 21 HB3 ALA 21 -6.559 -4.019 -3.604 199 H ALA 22 H ALA 22 -8.102 -7.280 -1.496 200 HA ALA 22 HA ALA 22 -10.682 -6.568 -0.615 201 HB1 ALA 22 HB1 ALA 22 -10.047 -8.803 -1.621 202 HB2 ALA 22 HB2 ALA 22 -11.047 -8.897 -0.177 203 HB3 ALA 22 HB3 ALA 22 -9.333 -9.223 -0.070 204 H LEU 23 H LEU 23 -7.778 -7.258 1.177 205 HA LEU 23 HA LEU 23 -8.913 -7.807 3.671 206 HB2 LEU 23 HB2 LEU 23 -6.156 -7.075 2.813 207 HB3 LEU 23 HB3 LEU 23 -6.528 -7.053 4.518 208 HG LEU 23 HG LEU 23 -5.658 -9.251 3.789 209 HD11 LEU 23 HD11 LEU 23 -7.413 -8.924 5.660 210 HD12 LEU 23 HD12 LEU 23 -7.105 -10.542 5.057 211 HD13 LEU 23 HD13 LEU 23 -8.537 -9.676 4.525 212 HD21 LEU 23 HD21 LEU 23 -6.699 -9.143 1.468 213 HD22 LEU 23 HD22 LEU 23 -8.250 -9.531 2.222 214 HD23 LEU 23 HD23 LEU 23 -6.929 -10.674 2.315 215 H LEU 24 H LEU 24 -8.015 -4.678 2.451 216 HA LEU 24 HA LEU 24 -7.565 -3.437 4.883 217 HB2 LEU 24 HB2 LEU 24 -8.436 -1.354 3.223 218 HB3 LEU 24 HB3 LEU 24 -6.782 -1.859 3.520 219 HG LEU 24 HG LEU 24 -8.528 -3.189 1.417 220 HD11 LEU 24 HD11 LEU 24 -6.634 -1.695 0.083 221 HD12 LEU 24 HD12 LEU 24 -7.277 -0.581 1.307 222 HD13 LEU 24 HD13 LEU 24 -8.365 -1.415 0.184 223 HD21 LEU 24 HD21 LEU 24 -6.127 -4.076 2.483 224 HD22 LEU 24 HD22 LEU 24 -5.600 -3.093 1.097 225 HD23 LEU 24 HD23 LEU 24 -6.756 -4.388 0.867 226 H GLU 25 H GLU 25 -10.650 -4.043 3.486 227 HA GLU 25 HA GLU 25 -12.753 -3.808 4.338 228 HB2 GLU 25 HB2 GLU 25 -11.543 -2.188 6.649 229 HB3 GLU 25 HB3 GLU 25 -13.188 -2.657 6.464 230 HG2 GLU 25 HG2 GLU 25 -12.735 -4.997 6.526 231 HG3 GLU 25 HG3 GLU 25 -10.967 -4.713 6.568 232 H VAL 26 H VAL 26 -11.626 -2.243 2.358 233 HA VAL 26 HA VAL 26 -13.485 0.033 2.438 234 HB VAL 26 HB VAL 26 -11.921 1.365 1.061 235 HG11 VAL 26 HG11 VAL 26 -11.952 1.614 3.570 236 HG12 VAL 26 HG12 VAL 26 -10.454 2.097 2.783 237 HG13 VAL 26 HG13 VAL 26 -10.541 0.540 3.619 238 HG21 VAL 26 HG21 VAL 26 -10.030 -0.947 1.604 239 HG22 VAL 26 HG22 VAL 26 -9.490 0.639 1.052 240 HG23 VAL 26 HG23 VAL 26 -10.565 -0.329 0.040 241 H SER 27 H SER 27 -14.174 0.552 0.116 242 HA SER 27 HA SER 27 -14.802 -1.865 -1.159 243 HB2 SER 27 HB2 SER 27 -14.977 -0.157 -3.242 244 HB3 SER 27 HB3 SER 27 -16.190 -0.243 -1.977 245 HG SER 27 HG SER 27 -14.077 1.547 -2.409 246 H ARG 28 H ARG 28 -13.611 -3.197 -2.349 247 HA ARG 28 HA ARG 28 -10.887 -2.752 -2.601 248 HB2 ARG 28 HB2 ARG 28 -11.990 -4.961 -2.388 249 HB3 ARG 28 HB3 ARG 28 -12.371 -4.912 -4.157 250 HG2 ARG 28 HG2 ARG 28 -9.821 -4.498 -4.396 251 HG3 ARG 28 HG3 ARG 28 -9.796 -4.890 -2.675 252 HD2 ARG 28 HD2 ARG 28 -10.257 -6.701 -4.976 253 HD3 ARG 28 HD3 ARG 28 -9.352 -6.974 -3.518 254 HE ARG 28 HE ARG 28 -12.058 -6.733 -2.749 255 HH11 ARG 28 HH11 ARG 28 -9.962 -8.900 -4.539 256 HH12 ARG 28 HH12 ARG 28 -10.940 -10.264 -4.280 257 HH21 ARG 28 HH21 ARG 28 -13.380 -8.565 -2.420 258 HH22 ARG 28 HH22 ARG 28 -12.904 -10.075 -3.056 259 H GLN 29 H GLN 29 -13.471 -2.502 -4.905 260 HA GLN 29 HA GLN 29 -11.991 -2.222 -7.262 261 HB2 GLN 29 HB2 GLN 29 -14.522 -0.650 -6.741 262 HB3 GLN 29 HB3 GLN 29 -13.936 -1.345 -8.241 263 HG2 GLN 29 HG2 GLN 29 -14.193 -3.653 -7.153 264 HG3 GLN 29 HG3 GLN 29 -14.898 -2.800 -5.826 265 HE21 GLN 29 HE21 GLN 29 -16.733 -4.473 -6.916 266 HE22 GLN 29 HE22 GLN 29 -17.844 -3.624 -7.865 267 H THR 30 H THR 30 -13.209 0.201 -4.971 268 HA THR 30 HA THR 30 -12.272 2.451 -6.314 269 HB THR 30 HB THR 30 -12.524 3.488 -3.981 270 HG1 THR 30 HG1 THR 30 -12.197 1.679 -2.735 271 HG21 THR 30 HG21 THR 30 -14.848 3.574 -4.243 272 HG22 THR 30 HG22 THR 30 -14.953 1.903 -4.811 273 HG23 THR 30 HG23 THR 30 -14.293 3.137 -5.855 274 H ILE 31 H ILE 31 -10.818 0.562 -3.677 275 HA ILE 31 HA ILE 31 -8.544 2.241 -3.580 276 HB ILE 31 HB ILE 31 -9.213 0.726 -1.697 277 HG12 ILE 31 HG12 ILE 31 -6.871 0.066 -1.137 278 HG13 ILE 31 HG13 ILE 31 -6.374 0.391 -2.781 279 HG21 ILE 31 HG21 ILE 31 -8.679 -1.618 -1.789 280 HG22 ILE 31 HG22 ILE 31 -7.952 -1.459 -3.387 281 HG23 ILE 31 HG23 ILE 31 -9.692 -1.207 -3.160 282 HD11 ILE 31 HD11 ILE 31 -6.657 2.686 -2.562 283 HD12 ILE 31 HD12 ILE 31 -6.063 2.241 -0.963 284 HD13 ILE 31 HD13 ILE 31 -7.790 2.532 -1.225 285 H ASN 32 H ASN 32 -9.231 -0.744 -5.323 286 HA ASN 32 HA ASN 32 -6.643 -1.012 -6.442 287 HB2 ASN 32 HB2 ASN 32 -9.356 -1.954 -7.386 288 HB3 ASN 32 HB3 ASN 32 -7.908 -2.201 -8.352 289 HD21 ASN 32 HD21 ASN 32 -9.397 -4.405 -7.207 290 HD22 ASN 32 HD22 ASN 32 -8.389 -5.148 -6.072 291 H GLY 33 H GLY 33 -9.494 0.791 -7.502 292 HA2 GLY 33 HA2 GLY 33 -8.233 1.811 -9.874 293 HA3 GLY 33 HA3 GLY 33 -9.731 2.409 -9.177 294 H ILE 34 H ILE 34 -8.923 3.109 -6.651 295 HA ILE 34 HA ILE 34 -7.766 5.558 -7.189 296 HB ILE 34 HB ILE 34 -8.865 4.316 -4.725 297 HG12 ILE 34 HG12 ILE 34 -10.080 6.557 -4.773 298 HG13 ILE 34 HG13 ILE 34 -9.133 6.921 -6.221 299 HG21 ILE 34 HG21 ILE 34 -7.140 6.778 -4.554 300 HG22 ILE 34 HG22 ILE 34 -6.805 5.160 -3.856 301 HG23 ILE 34 HG23 ILE 34 -8.173 6.070 -3.303 302 HD11 ILE 34 HD11 ILE 34 -11.147 4.692 -5.915 303 HD12 ILE 34 HD12 ILE 34 -10.116 4.912 -7.339 304 HD13 ILE 34 HD13 ILE 34 -11.292 6.147 -6.909 305 H GLU 35 H GLU 35 -6.354 2.724 -5.615 306 HA GLU 35 HA GLU 35 -3.927 4.043 -5.003 307 HB2 GLU 35 HB2 GLU 35 -4.910 1.390 -4.747 308 HB3 GLU 35 HB3 GLU 35 -3.394 1.276 -5.628 309 HG2 GLU 35 HG2 GLU 35 -3.458 3.115 -3.296 310 HG3 GLU 35 HG3 GLU 35 -3.497 1.421 -2.904 311 H LYS 36 H LYS 36 -5.308 2.816 -7.835 312 HA LYS 36 HA LYS 36 -2.913 2.877 -9.402 313 HB2 LYS 36 HB2 LYS 36 -5.029 1.395 -9.775 314 HB3 LYS 36 HB3 LYS 36 -5.640 2.809 -10.631 315 HG2 LYS 36 HG2 LYS 36 -3.728 2.826 -12.114 316 HG3 LYS 36 HG3 LYS 36 -2.959 1.536 -11.182 317 HD2 LYS 36 HD2 LYS 36 -4.828 0.013 -11.776 318 HD3 LYS 36 HD3 LYS 36 -5.554 1.292 -12.746 319 HE2 LYS 36 HE2 LYS 36 -2.820 0.063 -13.193 320 HE3 LYS 36 HE3 LYS 36 -4.239 -0.226 -14.192 321 HZ1 LYS 36 HZ1 LYS 36 -4.226 2.384 -14.372 322 HZ2 LYS 36 HZ2 LYS 36 -3.248 1.432 -15.348 323 HZ3 LYS 36 HZ3 LYS 36 -2.593 2.200 -13.984 324 H ASN 37 H ASN 37 -2.962 5.262 -8.244 325 HA ASN 37 HA ASN 37 -2.124 7.230 -9.316 326 HB2 ASN 37 HB2 ASN 37 -2.990 6.416 -11.556 327 HB3 ASN 37 HB3 ASN 37 -4.518 7.208 -11.063 328 HD21 ASN 37 HD21 ASN 37 -1.015 8.118 -10.996 329 HD22 ASN 37 HD22 ASN 37 -1.259 9.662 -11.638 330 H LYS 38 H LYS 38 -4.694 6.644 -7.423 331 HA LYS 38 HA LYS 38 -5.354 9.523 -7.346 332 HB2 LYS 38 HB2 LYS 38 -7.044 7.145 -6.677 333 HB3 LYS 38 HB3 LYS 38 -7.421 8.745 -6.092 334 HG2 LYS 38 HG2 LYS 38 -8.245 9.415 -8.075 335 HG3 LYS 38 HG3 LYS 38 -6.780 8.929 -8.910 336 HD2 LYS 38 HD2 LYS 38 -7.615 6.568 -8.923 337 HD3 LYS 38 HD3 LYS 38 -9.178 7.147 -8.299 338 HE2 LYS 38 HE2 LYS 38 -7.806 7.956 -10.865 339 HE3 LYS 38 HE3 LYS 38 -9.233 6.940 -10.760 340 HZ1 LYS 38 HZ1 LYS 38 -10.050 9.129 -9.378 341 HZ2 LYS 38 HZ2 LYS 38 -10.301 8.928 -11.023 342 HZ3 LYS 38 HZ3 LYS 38 -9.014 9.838 -10.506 343 H TYR 39 H TYR 39 -4.870 6.705 -5.222 344 HA TYR 39 HA TYR 39 -3.701 8.564 -3.273 345 HB2 TYR 39 HB2 TYR 39 -6.034 6.759 -2.654 346 HB3 TYR 39 HB3 TYR 39 -4.934 7.308 -1.425 347 HD1 TYR 39 HD1 TYR 39 -4.363 9.884 -1.453 348 HD2 TYR 39 HD2 TYR 39 -7.915 8.158 -3.163 349 HE1 TYR 39 HE1 TYR 39 -5.488 12.055 -1.308 350 HE2 TYR 39 HE2 TYR 39 -9.044 10.312 -3.027 351 HH TYR 39 HH TYR 39 -7.279 13.192 -1.867 352 H ASN 40 H ASN 40 -2.882 7.451 -1.388 353 HA ASN 40 HA ASN 40 -1.666 4.843 -1.952 354 HB2 ASN 40 HB2 ASN 40 0.150 6.444 -1.927 355 HB3 ASN 40 HB3 ASN 40 -0.496 7.271 -0.518 356 HD21 ASN 40 HD21 ASN 40 -0.804 5.474 1.451 357 HD22 ASN 40 HD22 ASN 40 0.574 4.509 1.658 358 HA PRO 41 HA PRO 41 -4.601 3.934 1.178 359 HB2 PRO 41 HB2 PRO 41 -2.647 1.972 2.290 360 HB3 PRO 41 HB3 PRO 41 -4.330 1.743 1.778 361 HG2 PRO 41 HG2 PRO 41 -2.398 0.854 0.250 362 HG3 PRO 41 HG3 PRO 41 -3.788 1.677 -0.488 363 HD2 PRO 41 HD2 PRO 41 -1.033 2.778 0.006 364 HD3 PRO 41 HD3 PRO 41 -2.111 2.974 -1.402 365 H SER 42 H SER 42 -5.070 4.795 3.201 366 HA SER 42 HA SER 42 -3.244 6.484 4.501 367 HB2 SER 42 HB2 SER 42 -5.642 5.308 5.917 368 HB3 SER 42 HB3 SER 42 -4.952 6.903 6.024 369 HG SER 42 HG SER 42 -6.957 6.406 4.643 370 H LEU 43 H LEU 43 -2.132 6.214 6.473 371 HA LEU 43 HA LEU 43 -0.978 3.708 6.692 372 HB2 LEU 43 HB2 LEU 43 -0.878 5.976 8.665 373 HB3 LEU 43 HB3 LEU 43 0.151 4.550 8.752 374 HG LEU 43 HG LEU 43 0.083 6.637 6.552 375 HD11 LEU 43 HD11 LEU 43 2.362 5.612 8.225 376 HD12 LEU 43 HD12 LEU 43 1.494 7.122 8.537 377 HD13 LEU 43 HD13 LEU 43 2.422 6.910 7.048 378 HD21 LEU 43 HD21 LEU 43 1.861 5.211 5.480 379 HD22 LEU 43 HD22 LEU 43 0.237 4.573 5.351 380 HD23 LEU 43 HD23 LEU 43 1.375 3.874 6.521 381 H GLN 44 H GLN 44 -3.624 5.033 8.532 382 HA GLN 44 HA GLN 44 -3.714 3.032 10.536 383 HB2 GLN 44 HB2 GLN 44 -5.984 4.579 9.236 384 HB3 GLN 44 HB3 GLN 44 -6.164 3.520 10.640 385 HG2 GLN 44 HG2 GLN 44 -4.569 4.888 11.896 386 HG3 GLN 44 HG3 GLN 44 -4.334 5.942 10.515 387 HE21 GLN 44 HE21 GLN 44 -6.034 5.734 13.368 388 HE22 GLN 44 HE22 GLN 44 -7.345 6.718 12.989 389 H LEU 45 H LEU 45 -5.200 3.105 7.315 390 HA LEU 45 HA LEU 45 -6.061 0.349 7.621 391 HB2 LEU 45 HB2 LEU 45 -6.862 0.555 5.241 392 HB3 LEU 45 HB3 LEU 45 -7.647 1.600 6.393 393 HG LEU 45 HG LEU 45 -5.597 3.255 5.598 394 HD11 LEU 45 HD11 LEU 45 -5.769 2.945 2.994 395 HD12 LEU 45 HD12 LEU 45 -6.072 1.264 3.424 396 HD13 LEU 45 HD13 LEU 45 -4.580 2.045 3.936 397 HD21 LEU 45 HD21 LEU 45 -7.263 4.307 4.090 398 HD22 LEU 45 HD22 LEU 45 -7.996 3.853 5.629 399 HD23 LEU 45 HD23 LEU 45 -8.257 2.868 4.181 400 H ALA 46 H ALA 46 -3.390 2.092 6.260 401 HA ALA 46 HA ALA 46 -2.486 0.324 4.397 402 HB1 ALA 46 HB1 ALA 46 -0.608 1.777 6.250 403 HB2 ALA 46 HB2 ALA 46 -1.451 2.583 4.915 404 HB3 ALA 46 HB3 ALA 46 -0.327 1.280 4.598 405 H LEU 47 H LEU 47 -2.354 0.206 7.857 406 HA LEU 47 HA LEU 47 -0.379 -1.766 8.219 407 HB2 LEU 47 HB2 LEU 47 -1.230 -0.418 10.072 408 HB3 LEU 47 HB3 LEU 47 -2.823 -1.153 9.910 409 HG LEU 47 HG LEU 47 -1.885 -3.367 10.464 410 HD11 LEU 47 HD11 LEU 47 0.303 -3.423 9.728 411 HD12 LEU 47 HD12 LEU 47 0.522 -3.254 11.457 412 HD13 LEU 47 HD13 LEU 47 0.694 -1.841 10.403 413 HD21 LEU 47 HD21 LEU 47 -1.101 -1.187 12.437 414 HD22 LEU 47 HD22 LEU 47 -1.318 -2.891 12.831 415 HD23 LEU 47 HD23 LEU 47 -2.692 -1.930 12.294 416 H LYS 48 H LYS 48 -3.857 -2.047 7.652 417 HA LYS 48 HA LYS 48 -4.122 -4.829 8.018 418 HB2 LYS 48 HB2 LYS 48 -5.529 -2.990 6.071 419 HB3 LYS 48 HB3 LYS 48 -6.014 -4.620 6.462 420 HG2 LYS 48 HG2 LYS 48 -6.385 -4.037 8.792 421 HG3 LYS 48 HG3 LYS 48 -5.808 -2.376 8.485 422 HD2 LYS 48 HD2 LYS 48 -7.574 -2.079 6.818 423 HD3 LYS 48 HD3 LYS 48 -8.196 -3.691 7.160 424 HE2 LYS 48 HE2 LYS 48 -8.694 -3.046 9.451 425 HE3 LYS 48 HE3 LYS 48 -7.994 -1.451 9.191 426 HZ1 LYS 48 HZ1 LYS 48 -9.784 -1.732 7.122 427 HZ2 LYS 48 HZ2 LYS 48 -10.015 -0.857 8.570 428 HZ3 LYS 48 HZ3 LYS 48 -10.555 -2.448 8.483 429 H ILE 49 H ILE 49 -3.507 -2.852 5.201 430 HA ILE 49 HA ILE 49 -3.121 -5.042 3.399 431 HB ILE 49 HB ILE 49 -3.927 -3.018 2.461 432 HG12 ILE 49 HG12 ILE 49 -1.030 -3.388 1.614 433 HG13 ILE 49 HG13 ILE 49 -2.417 -4.274 0.969 434 HG21 ILE 49 HG21 ILE 49 -2.806 -0.919 2.500 435 HG22 ILE 49 HG22 ILE 49 -1.394 -1.606 3.316 436 HG23 ILE 49 HG23 ILE 49 -2.961 -1.517 4.147 437 HD11 ILE 49 HD11 ILE 49 -1.921 -2.530 -0.593 438 HD12 ILE 49 HD12 ILE 49 -1.810 -1.332 0.696 439 HD13 ILE 49 HD13 ILE 49 -3.378 -2.046 0.279 440 H ALA 50 H ALA 50 -0.927 -2.893 5.165 441 HA ALA 50 HA ALA 50 1.470 -3.765 4.019 442 HB1 ALA 50 HB1 ALA 50 2.586 -2.695 5.763 443 HB2 ALA 50 HB2 ALA 50 1.317 -3.038 6.942 444 HB3 ALA 50 HB3 ALA 50 1.062 -1.833 5.688 445 H TYR 51 H TYR 51 -0.201 -5.013 6.893 446 HA TYR 51 HA TYR 51 1.667 -7.066 7.468 447 HB2 TYR 51 HB2 TYR 51 -0.003 -6.461 9.123 448 HB3 TYR 51 HB3 TYR 51 -1.305 -6.926 8.034 449 HD1 TYR 51 HD1 TYR 51 1.758 -8.339 9.713 450 HD2 TYR 51 HD2 TYR 51 -2.148 -9.145 8.060 451 HE1 TYR 51 HE1 TYR 51 1.881 -10.667 10.490 452 HE2 TYR 51 HE2 TYR 51 -2.010 -11.448 8.834 453 HH TYR 51 HH TYR 51 -0.405 -13.075 9.494 454 H TYR 52 H TYR 52 -1.297 -7.094 5.583 455 HA TYR 52 HA TYR 52 -1.150 -9.782 4.656 456 HB2 TYR 52 HB2 TYR 52 -3.196 -8.467 4.444 457 HB3 TYR 52 HB3 TYR 52 -2.389 -7.309 3.399 458 HD1 TYR 52 HD1 TYR 52 -1.499 -8.057 1.153 459 HD2 TYR 52 HD2 TYR 52 -4.044 -10.539 3.568 460 HE1 TYR 52 HE1 TYR 52 -1.994 -9.441 -0.809 461 HE2 TYR 52 HE2 TYR 52 -4.547 -11.930 1.617 462 HH TYR 52 HH TYR 52 -4.245 -11.003 -1.318 463 H LEU 53 H LEU 53 -0.059 -6.684 3.389 464 HA LEU 53 HA LEU 53 1.101 -7.689 1.035 465 HB2 LEU 53 HB2 LEU 53 0.252 -5.364 1.293 466 HB3 LEU 53 HB3 LEU 53 1.561 -5.052 2.424 467 HG LEU 53 HG LEU 53 3.227 -5.422 0.660 468 HD11 LEU 53 HD11 LEU 53 2.386 -5.762 -1.695 469 HD12 LEU 53 HD12 LEU 53 0.803 -6.097 -0.995 470 HD13 LEU 53 HD13 LEU 53 2.169 -7.146 -0.631 471 HD21 LEU 53 HD21 LEU 53 0.978 -3.630 -0.288 472 HD22 LEU 53 HD22 LEU 53 2.667 -3.519 -0.771 473 HD23 LEU 53 HD23 LEU 53 2.207 -3.166 0.888 474 H ASN 54 H ASN 54 2.070 -8.584 3.909 475 HA ASN 54 HA ASN 54 4.071 -9.398 4.708 476 HB2 ASN 54 HB2 ASN 54 4.594 -9.195 1.766 477 HB3 ASN 54 HB3 ASN 54 5.831 -9.761 2.842 478 HD21 ASN 54 HD21 ASN 54 3.282 -10.855 0.930 479 HD22 ASN 54 HD22 ASN 54 2.955 -12.319 1.722 480 H THR 55 H THR 55 3.694 -6.528 4.883 481 HA THR 55 HA THR 55 6.487 -5.803 5.012 482 HB THR 55 HB THR 55 4.821 -5.109 2.888 483 HG1 THR 55 HG1 THR 55 7.307 -3.799 3.450 484 HG21 THR 55 HG21 THR 55 5.454 -2.655 4.571 485 HG22 THR 55 HG22 THR 55 3.869 -3.279 4.114 486 HG23 THR 55 HG23 THR 55 4.960 -2.639 2.888 487 HA PRO 56 HA PRO 56 4.965 -3.960 8.819 488 HB2 PRO 56 HB2 PRO 56 7.557 -2.496 8.679 489 HB3 PRO 56 HB3 PRO 56 6.860 -3.440 9.999 490 HG2 PRO 56 HG2 PRO 56 8.829 -4.445 8.506 491 HG3 PRO 56 HG3 PRO 56 7.498 -5.451 9.127 492 HD2 PRO 56 HD2 PRO 56 8.002 -4.576 6.326 493 HD3 PRO 56 HD3 PRO 56 7.162 -6.004 6.959 494 H LEU 57 H LEU 57 4.176 -1.931 9.562 495 HA LEU 57 HA LEU 57 3.287 -0.125 7.579 496 HB2 LEU 57 HB2 LEU 57 2.428 -0.506 10.056 497 HB3 LEU 57 HB3 LEU 57 3.633 0.690 10.466 498 HG LEU 57 HG LEU 57 1.457 1.768 10.116 499 HD11 LEU 57 HD11 LEU 57 2.213 3.568 8.852 500 HD12 LEU 57 HD12 LEU 57 3.098 2.559 7.725 501 HD13 LEU 57 HD13 LEU 57 3.717 2.808 9.362 502 HD21 LEU 57 HD21 LEU 57 0.168 1.512 8.242 503 HD22 LEU 57 HD22 LEU 57 0.911 -0.083 8.264 504 HD23 LEU 57 HD23 LEU 57 1.538 1.164 7.183 505 H GLU 58 H GLU 58 5.956 0.037 9.894 506 HA GLU 58 HA GLU 58 6.953 2.524 8.923 507 HB2 GLU 58 HB2 GLU 58 8.265 0.370 10.586 508 HB3 GLU 58 HB3 GLU 58 9.020 1.907 10.184 509 HG2 GLU 58 HG2 GLU 58 7.125 3.135 11.149 510 HG3 GLU 58 HG3 GLU 58 6.368 1.598 11.574 511 H ASP 59 H ASP 59 7.115 -0.678 7.776 512 HA ASP 59 HA ASP 59 9.519 -0.437 6.294 513 HB2 ASP 59 HB2 ASP 59 8.360 -2.602 6.802 514 HB3 ASP 59 HB3 ASP 59 7.147 -2.183 5.587 515 H ILE 60 H ILE 60 6.206 0.465 5.731 516 HA ILE 60 HA ILE 60 6.912 1.492 3.069 517 HB ILE 60 HB ILE 60 4.512 2.054 2.845 518 HG12 ILE 60 HG12 ILE 60 4.156 0.423 5.398 519 HG13 ILE 60 HG13 ILE 60 3.976 2.176 5.342 520 HG21 ILE 60 HG21 ILE 60 5.570 -0.690 3.232 521 HG22 ILE 60 HG22 ILE 60 4.887 0.086 1.782 522 HG23 ILE 60 HG23 ILE 60 3.816 -0.528 3.034 523 HD11 ILE 60 HD11 ILE 60 2.353 1.442 3.299 524 HD12 ILE 60 HD12 ILE 60 1.810 1.667 4.962 525 HD13 ILE 60 HD13 ILE 60 2.182 0.050 4.349 526 H PHE 61 H PHE 61 5.408 2.692 6.071 527 HA PHE 61 HA PHE 61 6.581 5.305 5.398 528 HB2 PHE 61 HB2 PHE 61 3.797 4.773 6.400 529 HB3 PHE 61 HB3 PHE 61 4.576 6.353 6.488 530 HD1 PHE 61 HD1 PHE 61 3.272 3.755 4.167 531 HD2 PHE 61 HD2 PHE 61 4.989 7.686 4.493 532 HE1 PHE 61 HE1 PHE 61 2.683 4.223 1.816 533 HE2 PHE 61 HE2 PHE 61 4.390 8.131 2.120 534 HZ PHE 61 HZ PHE 61 3.240 6.403 0.795 535 H GLN 62 H GLN 62 7.817 6.073 6.866 536 HA GLN 62 HA GLN 62 7.191 5.789 9.669 537 HB2 GLN 62 HB2 GLN 62 9.881 5.659 9.954 538 HB3 GLN 62 HB3 GLN 62 8.890 4.219 9.932 539 HG2 GLN 62 HG2 GLN 62 9.284 4.062 7.436 540 HG3 GLN 62 HG3 GLN 62 10.396 5.426 7.635 541 HE21 GLN 62 HE21 GLN 62 10.312 2.069 7.580 542 HE22 GLN 62 HE22 GLN 62 11.746 1.748 8.428 543 H TRP 63 H TRP 63 8.606 7.439 10.874 544 HA TRP 63 HA TRP 63 8.202 9.907 9.530 545 HB2 TRP 63 HB2 TRP 63 9.649 9.357 12.134 546 HB3 TRP 63 HB3 TRP 63 9.155 10.930 11.523 547 HD1 TRP 63 HD1 TRP 63 6.281 9.759 10.317 548 HE1 TRP 63 HE1 TRP 63 4.374 9.412 12.008 549 HE3 TRP 63 HE3 TRP 63 8.949 9.543 14.665 550 HZ2 TRP 63 HZ2 TRP 63 4.010 9.063 14.807 551 HZ3 TRP 63 HZ3 TRP 63 7.788 9.193 16.831 552 HH2 TRP 63 HH2 TRP 63 5.328 8.953 16.903 553 H GLN 64 H GLN 64 9.627 8.781 7.788 554 HA GLN 64 HA GLN 64 12.413 9.747 7.982 555 HB2 GLN 64 HB2 GLN 64 11.167 7.466 6.711 556 HB3 GLN 64 HB3 GLN 64 11.900 8.479 5.487 557 HG2 GLN 64 HG2 GLN 64 13.770 7.475 5.946 558 HG3 GLN 64 HG3 GLN 64 13.870 8.377 7.464 559 HE21 GLN 64 HE21 GLN 64 12.588 7.218 9.345 560 HE22 GLN 64 HE22 GLN 64 12.661 5.520 9.347 561 HA PRO 65 HA PRO 65 10.635 13.219 5.630 562 HB2 PRO 65 HB2 PRO 65 13.534 13.870 5.347 563 HB3 PRO 65 HB3 PRO 65 12.177 14.898 5.834 564 HG2 PRO 65 HG2 PRO 65 13.860 14.037 7.659 565 HG3 PRO 65 HG3 PRO 65 12.122 14.043 8.022 566 HD2 PRO 65 HD2 PRO 65 13.857 11.694 7.328 567 HD3 PRO 65 HD3 PRO 65 12.503 11.824 8.475 568 H GLU 66 H GLU 66 10.379 13.467 3.399 569 HA GLU 66 HA GLU 66 12.039 11.767 1.644 570 HB2 GLU 66 HB2 GLU 66 9.141 12.600 1.288 571 HB3 GLU 66 HB3 GLU 66 10.085 11.643 0.153 572 HG2 GLU 66 HG2 GLU 66 10.447 9.916 1.872 573 HG3 GLU 66 HG3 GLU 66 9.490 10.842 3.012 Start of MODEL 4 1 H1 MET 1 H1 MET 1 11.276 1.486 -7.837 2 HA MET 1 HA MET 1 13.286 3.135 -6.781 3 HB2 MET 1 HB2 MET 1 10.483 4.089 -6.263 4 HB3 MET 1 HB3 MET 1 11.883 4.618 -5.344 5 HG2 MET 1 HG2 MET 1 12.958 5.447 -7.398 6 HG3 MET 1 HG3 MET 1 11.550 4.962 -8.347 7 HE1 MET 1 HE1 MET 1 9.118 5.498 -6.771 8 HE2 MET 1 HE2 MET 1 9.283 6.149 -8.407 9 HE3 MET 1 HE3 MET 1 8.688 7.161 -7.106 10 H ILE 2 H ILE 2 13.841 2.466 -4.724 11 HA ILE 2 HA ILE 2 12.798 0.012 -3.792 12 HB ILE 2 HB ILE 2 14.480 2.111 -2.391 13 HG12 ILE 2 HG12 ILE 2 15.269 -0.556 -3.628 14 HG13 ILE 2 HG13 ILE 2 15.430 0.991 -4.456 15 HG21 ILE 2 HG21 ILE 2 15.107 0.225 -0.865 16 HG22 ILE 2 HG22 ILE 2 13.834 -0.755 -1.601 17 HG23 ILE 2 HG23 ILE 2 13.419 0.694 -0.696 18 HD11 ILE 2 HD11 ILE 2 17.545 0.653 -3.500 19 HD12 ILE 2 HD12 ILE 2 16.868 0.026 -2.000 20 HD13 ILE 2 HD13 ILE 2 16.758 1.750 -2.357 21 H ILE 3 H ILE 3 12.386 3.346 -2.634 22 HA ILE 3 HA ILE 3 9.740 2.609 -1.625 23 HB ILE 3 HB ILE 3 10.022 4.017 0.367 24 HG12 ILE 3 HG12 ILE 3 12.958 4.085 -0.369 25 HG13 ILE 3 HG13 ILE 3 11.863 5.442 -0.634 26 HG21 ILE 3 HG21 ILE 3 10.721 2.221 1.528 27 HG22 ILE 3 HG22 ILE 3 12.331 2.292 0.847 28 HG23 ILE 3 HG23 ILE 3 11.050 1.433 -0.012 29 HD11 ILE 3 HD11 ILE 3 12.480 4.145 2.031 30 HD12 ILE 3 HD12 ILE 3 11.368 5.493 1.805 31 HD13 ILE 3 HD13 ILE 3 13.089 5.704 1.491 32 H ASN 4 H ASN 4 8.330 4.468 -1.391 33 HA ASN 4 HA ASN 4 8.761 7.064 -2.037 34 HB2 ASN 4 HB2 ASN 4 9.620 6.631 -4.227 35 HB3 ASN 4 HB3 ASN 4 8.375 5.435 -4.554 36 HD21 ASN 4 HD21 ASN 4 9.136 8.822 -4.642 37 HD22 ASN 4 HD22 ASN 4 7.662 9.356 -5.266 38 H ASN 5 H ASN 5 6.678 4.397 -3.051 39 HA ASN 5 HA ASN 5 4.387 5.626 -1.732 40 HB2 ASN 5 HB2 ASN 5 4.511 6.369 -4.201 41 HB3 ASN 5 HB3 ASN 5 4.118 4.699 -4.599 42 HD21 ASN 5 HD21 ASN 5 2.364 6.809 -5.274 43 HD22 ASN 5 HD22 ASN 5 0.964 6.689 -4.321 44 H LEU 6 H LEU 6 2.457 4.030 -2.063 45 HA LEU 6 HA LEU 6 3.119 1.621 -0.793 46 HB2 LEU 6 HB2 LEU 6 0.803 2.857 -1.031 47 HB3 LEU 6 HB3 LEU 6 0.614 1.897 -2.480 48 HG LEU 6 HG LEU 6 -0.432 0.795 -0.557 49 HD11 LEU 6 HD11 LEU 6 0.915 -0.476 -2.442 50 HD12 LEU 6 HD12 LEU 6 0.236 -1.321 -1.063 51 HD13 LEU 6 HD13 LEU 6 1.947 -0.929 -1.080 52 HD21 LEU 6 HD21 LEU 6 2.269 0.288 0.665 53 HD22 LEU 6 HD22 LEU 6 0.674 0.242 1.412 54 HD23 LEU 6 HD23 LEU 6 1.418 1.792 1.039 55 H LYS 7 H LYS 7 2.518 2.398 -4.163 56 HA LYS 7 HA LYS 7 2.480 -0.158 -5.327 57 HB2 LYS 7 HB2 LYS 7 4.029 1.676 -6.982 58 HB3 LYS 7 HB3 LYS 7 2.478 0.947 -7.269 59 HG2 LYS 7 HG2 LYS 7 2.913 3.406 -5.563 60 HG3 LYS 7 HG3 LYS 7 2.465 3.419 -7.253 61 HD2 LYS 7 HD2 LYS 7 0.394 2.060 -6.679 62 HD3 LYS 7 HD3 LYS 7 0.801 2.274 -4.968 63 HE2 LYS 7 HE2 LYS 7 0.649 4.642 -5.137 64 HE3 LYS 7 HE3 LYS 7 0.415 4.578 -6.884 65 HZ1 LYS 7 HZ1 LYS 7 -1.696 3.652 -6.645 66 HZ2 LYS 7 HZ2 LYS 7 -1.663 4.765 -5.372 67 HZ3 LYS 7 HZ3 LYS 7 -1.387 3.139 -5.051 68 H LEU 8 H LEU 8 5.149 2.020 -4.646 69 HA LEU 8 HA LEU 8 7.122 0.601 -5.919 70 HB2 LEU 8 HB2 LEU 8 7.126 2.654 -3.758 71 HB3 LEU 8 HB3 LEU 8 8.657 1.900 -4.198 72 HG LEU 8 HG LEU 8 8.477 3.867 -5.550 73 HD11 LEU 8 HD11 LEU 8 8.881 3.022 -7.605 74 HD12 LEU 8 HD12 LEU 8 7.484 1.968 -7.594 75 HD13 LEU 8 HD13 LEU 8 8.940 1.514 -6.703 76 HD21 LEU 8 HD21 LEU 8 6.536 4.489 -6.830 77 HD22 LEU 8 HD22 LEU 8 5.944 4.131 -5.218 78 HD23 LEU 8 HD23 LEU 8 5.738 2.964 -6.529 79 H ILE 9 H ILE 9 6.062 0.414 -2.556 80 HA ILE 9 HA ILE 9 7.942 -1.636 -1.817 81 HB ILE 9 HB ILE 9 5.251 -0.987 -0.546 82 HG12 ILE 9 HG12 ILE 9 6.718 1.026 -0.597 83 HG13 ILE 9 HG13 ILE 9 6.605 0.380 1.033 84 HG21 ILE 9 HG21 ILE 9 7.261 -3.003 -0.015 85 HG22 ILE 9 HG22 ILE 9 5.736 -2.720 0.816 86 HG23 ILE 9 HG23 ILE 9 7.184 -1.866 1.324 87 HD11 ILE 9 HD11 ILE 9 8.919 0.161 -0.879 88 HD12 ILE 9 HD12 ILE 9 8.743 -0.968 0.469 89 HD13 ILE 9 HD13 ILE 9 8.895 0.758 0.772 90 H ARG 10 H ARG 10 4.644 -1.512 -2.973 91 HA ARG 10 HA ARG 10 3.913 -4.180 -2.743 92 HB2 ARG 10 HB2 ARG 10 2.464 -2.208 -3.391 93 HB3 ARG 10 HB3 ARG 10 3.174 -2.341 -5.000 94 HG2 ARG 10 HG2 ARG 10 2.321 -4.959 -4.301 95 HG3 ARG 10 HG3 ARG 10 1.039 -3.866 -3.824 96 HD2 ARG 10 HD2 ARG 10 0.375 -3.967 -5.953 97 HD3 ARG 10 HD3 ARG 10 1.673 -2.847 -6.321 98 HE ARG 10 HE ARG 10 1.839 -5.803 -6.491 99 HH11 ARG 10 HH11 ARG 10 2.887 -2.586 -7.565 100 HH12 ARG 10 HH12 ARG 10 3.829 -3.190 -8.819 101 HH21 ARG 10 HH21 ARG 10 3.160 -6.572 -8.221 102 HH22 ARG 10 HH22 ARG 10 4.010 -5.500 -9.203 103 H GLU 11 H GLU 11 5.494 -2.521 -5.491 104 HA GLU 11 HA GLU 11 5.483 -4.730 -7.210 105 HB2 GLU 11 HB2 GLU 11 7.311 -3.549 -8.462 106 HB3 GLU 11 HB3 GLU 11 5.896 -2.568 -8.173 107 HG2 GLU 11 HG2 GLU 11 6.905 -1.409 -6.382 108 HG3 GLU 11 HG3 GLU 11 8.274 -2.519 -6.317 109 H LYS 12 H LYS 12 7.778 -3.848 -4.720 110 HA LYS 12 HA LYS 12 9.876 -5.539 -5.534 111 HB2 LYS 12 HB2 LYS 12 9.155 -4.848 -2.680 112 HB3 LYS 12 HB3 LYS 12 10.734 -5.345 -3.277 113 HG2 LYS 12 HG2 LYS 12 9.245 -2.794 -3.888 114 HG3 LYS 12 HG3 LYS 12 10.775 -2.953 -3.049 115 HD2 LYS 12 HD2 LYS 12 11.809 -3.897 -5.089 116 HD3 LYS 12 HD3 LYS 12 10.325 -3.628 -5.990 117 HE2 LYS 12 HE2 LYS 12 12.121 -1.551 -4.751 118 HE3 LYS 12 HE3 LYS 12 11.737 -1.867 -6.451 119 HZ1 LYS 12 HZ1 LYS 12 9.378 -1.213 -4.792 120 HZ2 LYS 12 HZ2 LYS 12 9.816 -0.860 -6.386 121 HZ3 LYS 12 HZ3 LYS 12 10.490 0.038 -5.169 122 H LYS 13 H LYS 13 7.134 -6.159 -3.425 123 HA LYS 13 HA LYS 13 8.015 -8.895 -3.031 124 HB2 LYS 13 HB2 LYS 13 6.022 -9.054 -1.492 125 HB3 LYS 13 HB3 LYS 13 7.256 -7.887 -1.056 126 HG2 LYS 13 HG2 LYS 13 5.955 -6.050 -1.967 127 HG3 LYS 13 HG3 LYS 13 4.716 -7.155 -2.557 128 HD2 LYS 13 HD2 LYS 13 3.723 -6.669 -0.562 129 HD3 LYS 13 HD3 LYS 13 4.827 -7.890 0.059 130 HE2 LYS 13 HE2 LYS 13 6.001 -5.150 -0.107 131 HE3 LYS 13 HE3 LYS 13 4.656 -5.326 0.993 132 HZ1 LYS 13 HZ1 LYS 13 6.697 -5.749 2.081 133 HZ2 LYS 13 HZ2 LYS 13 7.154 -6.913 0.963 134 HZ3 LYS 13 HZ3 LYS 13 5.859 -7.224 2.016 135 H LYS 14 H LYS 14 6.569 -7.560 -5.484 136 HA LYS 14 HA LYS 14 5.387 -8.293 -7.259 137 HB2 LYS 14 HB2 LYS 14 5.728 -11.144 -6.424 138 HB3 LYS 14 HB3 LYS 14 5.887 -10.414 -8.011 139 HG2 LYS 14 HG2 LYS 14 7.867 -10.198 -5.708 140 HG3 LYS 14 HG3 LYS 14 8.102 -11.018 -7.243 141 HD2 LYS 14 HD2 LYS 14 7.686 -8.601 -8.305 142 HD3 LYS 14 HD3 LYS 14 8.018 -8.077 -6.674 143 HE2 LYS 14 HE2 LYS 14 9.870 -9.775 -8.339 144 HE3 LYS 14 HE3 LYS 14 10.066 -8.061 -7.994 145 HZ1 LYS 14 HZ1 LYS 14 10.054 -8.710 -5.542 146 HZ2 LYS 14 HZ2 LYS 14 11.383 -9.239 -6.454 147 HZ3 LYS 14 HZ3 LYS 14 10.139 -10.316 -6.071 148 H ILE 15 H ILE 15 3.969 -8.351 -4.433 149 HA ILE 15 HA ILE 15 1.679 -10.036 -5.007 150 HB ILE 15 HB ILE 15 2.358 -8.060 -2.823 151 HG12 ILE 15 HG12 ILE 15 1.175 -10.430 -1.865 152 HG13 ILE 15 HG13 ILE 15 2.253 -10.949 -3.142 153 HG21 ILE 15 HG21 ILE 15 -0.314 -8.796 -3.765 154 HG22 ILE 15 HG22 ILE 15 0.202 -7.395 -2.823 155 HG23 ILE 15 HG23 ILE 15 -0.061 -8.951 -2.027 156 HD11 ILE 15 HD11 ILE 15 3.092 -9.037 -0.937 157 HD12 ILE 15 HD12 ILE 15 4.138 -9.896 -2.078 158 HD13 ILE 15 HD13 ILE 15 3.272 -10.785 -0.823 159 H SER 16 H SER 16 -0.170 -9.445 -6.072 160 HA SER 16 HA SER 16 -0.044 -6.982 -7.557 161 HB2 SER 16 HB2 SER 16 -2.573 -8.471 -7.729 162 HB3 SER 16 HB3 SER 16 -1.480 -7.940 -8.981 163 HG SER 16 HG SER 16 -1.173 -10.144 -7.228 164 H GLN 17 H GLN 17 -2.142 -5.751 -7.804 165 HA GLN 17 HA GLN 17 -2.716 -4.383 -5.398 166 HB2 GLN 17 HB2 GLN 17 -4.915 -3.938 -7.114 167 HB3 GLN 17 HB3 GLN 17 -3.518 -2.899 -6.887 168 HG2 GLN 17 HG2 GLN 17 -3.596 -3.274 -9.196 169 HG3 GLN 17 HG3 GLN 17 -2.343 -4.375 -8.709 170 HE21 GLN 17 HE21 GLN 17 -4.676 -4.333 -10.894 171 HE22 GLN 17 HE22 GLN 17 -5.290 -5.905 -10.791 172 H SER 18 H SER 18 -4.398 -6.852 -7.173 173 HA SER 18 HA SER 18 -6.786 -6.805 -5.814 174 HB2 SER 18 HB2 SER 18 -5.473 -9.232 -7.033 175 HB3 SER 18 HB3 SER 18 -7.182 -9.046 -6.669 176 HG SER 18 HG SER 18 -5.621 -7.399 -8.438 177 H GLU 19 H GLU 19 -3.881 -8.699 -5.015 178 HA GLU 19 HA GLU 19 -4.977 -10.156 -2.919 179 HB2 GLU 19 HB2 GLU 19 -2.158 -9.103 -3.303 180 HB3 GLU 19 HB3 GLU 19 -2.633 -10.208 -2.038 181 HG2 GLU 19 HG2 GLU 19 -1.886 -11.666 -3.651 182 HG3 GLU 19 HG3 GLU 19 -3.604 -11.638 -4.064 183 H LEU 20 H LEU 20 -3.102 -7.206 -2.756 184 HA LEU 20 HA LEU 20 -3.502 -6.799 0.003 185 HB2 LEU 20 HB2 LEU 20 -2.663 -4.472 -0.492 186 HB3 LEU 20 HB3 LEU 20 -1.605 -5.802 -0.922 187 HG LEU 20 HG LEU 20 -2.883 -5.594 -3.284 188 HD11 LEU 20 HD11 LEU 20 -3.867 -3.648 -3.732 189 HD12 LEU 20 HD12 LEU 20 -2.776 -2.710 -2.716 190 HD13 LEU 20 HD13 LEU 20 -4.129 -3.595 -1.995 191 HD21 LEU 20 HD21 LEU 20 -1.112 -3.867 -3.909 192 HD22 LEU 20 HD22 LEU 20 -0.518 -5.372 -3.224 193 HD23 LEU 20 HD23 LEU 20 -0.606 -3.899 -2.230 194 H ALA 21 H ALA 21 -5.132 -5.434 -2.798 195 HA ALA 21 HA ALA 21 -6.413 -3.374 -1.499 196 HB1 ALA 21 HB1 ALA 21 -7.101 -4.769 -4.075 197 HB2 ALA 21 HB2 ALA 21 -6.223 -3.260 -3.827 198 HB3 ALA 21 HB3 ALA 21 -7.943 -3.312 -3.522 199 H ALA 22 H ALA 22 -7.604 -6.649 -1.815 200 HA ALA 22 HA ALA 22 -10.317 -6.117 -1.129 201 HB1 ALA 22 HB1 ALA 22 -10.619 -8.360 -1.222 202 HB2 ALA 22 HB2 ALA 22 -9.253 -8.702 -0.201 203 HB3 ALA 22 HB3 ALA 22 -9.000 -8.390 -1.913 204 H LEU 23 H LEU 23 -7.556 -6.787 0.817 205 HA LEU 23 HA LEU 23 -8.821 -7.491 3.167 206 HB2 LEU 23 HB2 LEU 23 -6.077 -6.276 2.941 207 HB3 LEU 23 HB3 LEU 23 -6.677 -7.334 4.216 208 HG LEU 23 HG LEU 23 -6.360 -8.091 1.281 209 HD11 LEU 23 HD11 LEU 23 -4.238 -8.049 2.334 210 HD12 LEU 23 HD12 LEU 23 -4.744 -9.729 2.179 211 HD13 LEU 23 HD13 LEU 23 -4.854 -8.918 3.740 212 HD21 LEU 23 HD21 LEU 23 -8.283 -9.259 2.103 213 HD22 LEU 23 HD22 LEU 23 -7.496 -9.638 3.642 214 HD23 LEU 23 HD23 LEU 23 -6.943 -10.391 2.145 215 H LEU 24 H LEU 24 -7.975 -4.288 2.132 216 HA LEU 24 HA LEU 24 -7.885 -3.050 4.661 217 HB2 LEU 24 HB2 LEU 24 -8.559 -0.945 3.074 218 HB3 LEU 24 HB3 LEU 24 -6.938 -1.563 3.265 219 HG LEU 24 HG LEU 24 -8.774 -2.743 1.144 220 HD11 LEU 24 HD11 LEU 24 -8.380 -1.156 -0.314 221 HD12 LEU 24 HD12 LEU 24 -6.770 -0.787 0.343 222 HD13 LEU 24 HD13 LEU 24 -8.201 -0.083 1.092 223 HD21 LEU 24 HD21 LEU 24 -6.023 -2.564 0.449 224 HD22 LEU 24 HD22 LEU 24 -7.021 -3.969 0.748 225 HD23 LEU 24 HD23 LEU 24 -6.095 -3.237 2.077 226 H GLU 25 H GLU 25 -10.578 -4.440 3.579 227 HA GLU 25 HA GLU 25 -12.781 -4.279 4.149 228 HB2 GLU 25 HB2 GLU 25 -11.776 -2.256 6.182 229 HB3 GLU 25 HB3 GLU 25 -13.347 -3.017 6.157 230 HG2 GLU 25 HG2 GLU 25 -12.432 -5.218 6.469 231 HG3 GLU 25 HG3 GLU 25 -10.777 -4.630 6.318 232 H VAL 26 H VAL 26 -11.705 -2.542 2.068 233 HA VAL 26 HA VAL 26 -13.981 -0.706 1.916 234 HB VAL 26 HB VAL 26 -12.565 0.954 0.699 235 HG11 VAL 26 HG11 VAL 26 -11.681 2.002 2.628 236 HG12 VAL 26 HG12 VAL 26 -11.379 0.468 3.437 237 HG13 VAL 26 HG13 VAL 26 -13.032 1.046 3.228 238 HG21 VAL 26 HG21 VAL 26 -10.738 -0.651 0.059 239 HG22 VAL 26 HG22 VAL 26 -10.257 -0.706 1.761 240 HG23 VAL 26 HG23 VAL 26 -10.127 0.800 0.860 241 H SER 27 H SER 27 -14.532 -0.275 -0.461 242 HA SER 27 HA SER 27 -14.541 -2.744 -1.746 243 HB2 SER 27 HB2 SER 27 -14.976 -1.072 -3.829 244 HB3 SER 27 HB3 SER 27 -16.194 -1.529 -2.676 245 HG SER 27 HG SER 27 -16.160 0.436 -1.858 246 H ARG 28 H ARG 28 -13.191 -3.744 -2.951 247 HA ARG 28 HA ARG 28 -10.538 -3.028 -2.967 248 HB2 ARG 28 HB2 ARG 28 -11.481 -5.319 -3.062 249 HB3 ARG 28 HB3 ARG 28 -11.801 -5.083 -4.796 250 HG2 ARG 28 HG2 ARG 28 -9.294 -4.622 -5.066 251 HG3 ARG 28 HG3 ARG 28 -9.202 -4.943 -3.344 252 HD2 ARG 28 HD2 ARG 28 -8.598 -6.976 -4.673 253 HD3 ARG 28 HD3 ARG 28 -9.903 -7.227 -3.556 254 HE ARG 28 HE ARG 28 -11.391 -7.463 -5.341 255 HH11 ARG 28 HH11 ARG 28 -8.291 -6.343 -6.470 256 HH12 ARG 28 HH12 ARG 28 -8.581 -6.748 -8.100 257 HH21 ARG 28 HH21 ARG 28 -11.788 -7.969 -7.515 258 HH22 ARG 28 HH22 ARG 28 -10.580 -7.679 -8.703 259 H GLN 29 H GLN 29 -12.922 -2.774 -5.519 260 HA GLN 29 HA GLN 29 -11.166 -1.825 -7.541 261 HB2 GLN 29 HB2 GLN 29 -13.280 -0.798 -8.513 262 HB3 GLN 29 HB3 GLN 29 -13.325 -2.538 -8.267 263 HG2 GLN 29 HG2 GLN 29 -14.559 -2.269 -6.194 264 HG3 GLN 29 HG3 GLN 29 -14.417 -0.522 -6.260 265 HE21 GLN 29 HE21 GLN 29 -16.680 -0.067 -6.494 266 HE22 GLN 29 HE22 GLN 29 -17.581 -0.576 -7.834 267 H THR 30 H THR 30 -13.042 -0.213 -5.009 268 HA THR 30 HA THR 30 -12.692 2.390 -5.899 269 HB THR 30 HB THR 30 -12.964 1.555 -3.002 270 HG1 THR 30 HG1 THR 30 -14.883 0.989 -3.421 271 HG21 THR 30 HG21 THR 30 -13.577 3.694 -2.636 272 HG22 THR 30 HG22 THR 30 -14.485 3.801 -4.134 273 HG23 THR 30 HG23 THR 30 -12.738 4.058 -4.129 274 H ILE 31 H ILE 31 -10.747 0.490 -3.560 275 HA ILE 31 HA ILE 31 -8.864 2.589 -3.194 276 HB ILE 31 HB ILE 31 -9.066 0.679 -1.603 277 HG12 ILE 31 HG12 ILE 31 -6.550 0.337 -1.358 278 HG13 ILE 31 HG13 ILE 31 -6.344 1.157 -2.884 279 HG21 ILE 31 HG21 ILE 31 -9.358 -1.225 -2.943 280 HG22 ILE 31 HG22 ILE 31 -7.736 -1.389 -2.273 281 HG23 ILE 31 HG23 ILE 31 -7.929 -0.897 -3.940 282 HD11 ILE 31 HD11 ILE 31 -6.795 3.207 -2.012 283 HD12 ILE 31 HD12 ILE 31 -6.327 2.429 -0.510 284 HD13 ILE 31 HD13 ILE 31 -8.032 2.605 -0.906 285 H ASN 32 H ASN 32 -9.134 -0.094 -5.412 286 HA ASN 32 HA ASN 32 -6.614 0.191 -6.589 287 HB2 ASN 32 HB2 ASN 32 -8.418 -1.656 -6.948 288 HB3 ASN 32 HB3 ASN 32 -9.002 -0.600 -8.233 289 HD21 ASN 32 HD21 ASN 32 -5.983 0.325 -8.488 290 HD22 ASN 32 HD22 ASN 32 -5.333 -0.910 -9.433 291 H GLY 33 H GLY 33 -9.715 1.719 -7.294 292 HA2 GLY 33 HA2 GLY 33 -8.717 3.288 -9.476 293 HA3 GLY 33 HA3 GLY 33 -10.227 3.574 -8.616 294 H ILE 34 H ILE 34 -9.422 3.996 -6.054 295 HA ILE 34 HA ILE 34 -8.469 6.603 -6.276 296 HB ILE 34 HB ILE 34 -9.551 5.011 -4.044 297 HG12 ILE 34 HG12 ILE 34 -10.951 7.111 -3.870 298 HG13 ILE 34 HG13 ILE 34 -9.933 7.781 -5.149 299 HG21 ILE 34 HG21 ILE 34 -7.518 5.967 -2.989 300 HG22 ILE 34 HG22 ILE 34 -9.016 6.674 -2.394 301 HG23 ILE 34 HG23 ILE 34 -8.039 7.573 -3.534 302 HD11 ILE 34 HD11 ILE 34 -11.297 5.155 -5.656 303 HD12 ILE 34 HD12 ILE 34 -10.778 6.417 -6.784 304 HD13 ILE 34 HD13 ILE 34 -12.202 6.668 -5.790 305 H GLU 35 H GLU 35 -6.712 3.761 -5.079 306 HA GLU 35 HA GLU 35 -4.427 5.295 -4.305 307 HB2 GLU 35 HB2 GLU 35 -5.047 2.454 -4.623 308 HB3 GLU 35 HB3 GLU 35 -3.477 2.799 -5.295 309 HG2 GLU 35 HG2 GLU 35 -4.008 4.091 -2.682 310 HG3 GLU 35 HG3 GLU 35 -3.957 2.348 -2.619 311 H LYS 36 H LYS 36 -5.838 4.489 -7.265 312 HA LYS 36 HA LYS 36 -3.503 4.984 -8.871 313 HB2 LYS 36 HB2 LYS 36 -5.474 3.499 -9.549 314 HB3 LYS 36 HB3 LYS 36 -6.356 4.998 -9.851 315 HG2 LYS 36 HG2 LYS 36 -4.663 5.729 -11.443 316 HG3 LYS 36 HG3 LYS 36 -3.693 4.310 -11.095 317 HD2 LYS 36 HD2 LYS 36 -5.534 2.838 -11.887 318 HD3 LYS 36 HD3 LYS 36 -6.481 4.268 -12.307 319 HE2 LYS 36 HE2 LYS 36 -3.804 3.458 -13.488 320 HE3 LYS 36 HE3 LYS 36 -5.362 3.463 -14.301 321 HZ1 LYS 36 HZ1 LYS 36 -3.545 5.592 -13.935 322 HZ2 LYS 36 HZ2 LYS 36 -5.026 6.040 -13.277 323 HZ3 LYS 36 HZ3 LYS 36 -4.914 5.553 -14.885 324 H ASN 37 H ASN 37 -3.674 7.013 -7.125 325 HA ASN 37 HA ASN 37 -2.905 9.196 -7.624 326 HB2 ASN 37 HB2 ASN 37 -3.719 8.841 -10.063 327 HB3 ASN 37 HB3 ASN 37 -5.170 9.681 -9.456 328 HD21 ASN 37 HD21 ASN 37 -5.025 11.874 -9.946 329 HD22 ASN 37 HD22 ASN 37 -3.599 12.788 -9.907 330 H LYS 38 H LYS 38 -5.597 8.164 -6.075 331 HA LYS 38 HA LYS 38 -6.469 10.951 -5.528 332 HB2 LYS 38 HB2 LYS 38 -7.928 8.350 -5.512 333 HB3 LYS 38 HB3 LYS 38 -8.543 9.737 -4.615 334 HG2 LYS 38 HG2 LYS 38 -9.216 10.808 -6.490 335 HG3 LYS 38 HG3 LYS 38 -7.689 10.524 -7.308 336 HD2 LYS 38 HD2 LYS 38 -8.413 8.210 -7.809 337 HD3 LYS 38 HD3 LYS 38 -10.018 8.563 -7.149 338 HE2 LYS 38 HE2 LYS 38 -8.644 10.011 -9.424 339 HE3 LYS 38 HE3 LYS 38 -9.954 8.859 -9.625 340 HZ1 LYS 38 HZ1 LYS 38 -10.069 11.521 -8.281 341 HZ2 LYS 38 HZ2 LYS 38 -11.343 10.391 -8.217 342 HZ3 LYS 38 HZ3 LYS 38 -10.793 11.057 -9.686 343 H TYR 39 H TYR 39 -6.216 7.843 -3.818 344 HA TYR 39 HA TYR 39 -5.000 9.257 -1.552 345 HB2 TYR 39 HB2 TYR 39 -7.398 7.409 -1.253 346 HB3 TYR 39 HB3 TYR 39 -6.330 7.858 0.027 347 HD1 TYR 39 HD1 TYR 39 -8.891 9.162 -2.320 348 HD2 TYR 39 HD2 TYR 39 -6.352 10.040 1.041 349 HE1 TYR 39 HE1 TYR 39 -10.211 11.195 -1.850 350 HE2 TYR 39 HE2 TYR 39 -7.655 12.053 1.508 351 HH TYR 39 HH TYR 39 -10.348 12.612 0.860 352 H ASN 40 H ASN 40 -3.590 8.040 -0.431 353 HA ASN 40 HA ASN 40 -3.085 5.310 -1.381 354 HB2 ASN 40 HB2 ASN 40 -0.900 5.461 -0.597 355 HB3 ASN 40 HB3 ASN 40 -1.190 7.148 -0.988 356 HD21 ASN 40 HD21 ASN 40 -2.941 7.675 1.343 357 HD22 ASN 40 HD22 ASN 40 -1.933 7.656 2.697 358 HA PRO 41 HA PRO 41 -5.117 3.597 2.026 359 HB2 PRO 41 HB2 PRO 41 -2.631 2.219 2.934 360 HB3 PRO 41 HB3 PRO 41 -4.258 1.572 2.621 361 HG2 PRO 41 HG2 PRO 41 -2.272 1.216 0.861 362 HG3 PRO 41 HG3 PRO 41 -3.940 1.464 0.320 363 HD2 PRO 41 HD2 PRO 41 -1.640 3.337 0.085 364 HD3 PRO 41 HD3 PRO 41 -3.140 3.229 -0.815 365 H SER 42 H SER 42 -5.634 4.393 4.045 366 HA SER 42 HA SER 42 -3.969 6.282 5.381 367 HB2 SER 42 HB2 SER 42 -6.350 4.867 6.594 368 HB3 SER 42 HB3 SER 42 -5.766 6.491 6.884 369 HG SER 42 HG SER 42 -6.287 6.963 4.679 370 H LEU 43 H LEU 43 -3.307 5.954 7.696 371 HA LEU 43 HA LEU 43 -1.592 3.742 7.836 372 HB2 LEU 43 HB2 LEU 43 -2.451 5.792 9.841 373 HB3 LEU 43 HB3 LEU 43 -1.600 4.357 10.389 374 HG LEU 43 HG LEU 43 -0.249 6.517 9.666 375 HD11 LEU 43 HD11 LEU 43 0.742 4.455 10.479 376 HD12 LEU 43 HD12 LEU 43 1.645 5.081 9.104 377 HD13 LEU 43 HD13 LEU 43 0.559 3.714 8.888 378 HD21 LEU 43 HD21 LEU 43 -1.335 6.376 7.271 379 HD22 LEU 43 HD22 LEU 43 -0.194 5.045 7.000 380 HD23 LEU 43 HD23 LEU 43 0.398 6.623 7.411 381 H GLN 44 H GLN 44 -4.791 4.208 9.211 382 HA GLN 44 HA GLN 44 -4.871 1.918 10.824 383 HB2 GLN 44 HB2 GLN 44 -7.096 3.233 9.252 384 HB3 GLN 44 HB3 GLN 44 -7.348 1.996 10.475 385 HG2 GLN 44 HG2 GLN 44 -6.243 3.435 12.158 386 HG3 GLN 44 HG3 GLN 44 -6.025 4.682 10.929 387 HE21 GLN 44 HE21 GLN 44 -7.543 6.303 11.399 388 HE22 GLN 44 HE22 GLN 44 -9.182 5.993 11.718 389 H LEU 45 H LEU 45 -5.719 2.314 7.403 390 HA LEU 45 HA LEU 45 -6.096 -0.551 7.114 391 HB2 LEU 45 HB2 LEU 45 -6.068 0.310 4.536 392 HB3 LEU 45 HB3 LEU 45 -7.516 0.212 5.526 393 HG LEU 45 HG LEU 45 -5.839 2.738 5.579 394 HD11 LEU 45 HD11 LEU 45 -6.138 2.363 3.241 395 HD12 LEU 45 HD12 LEU 45 -7.365 3.565 3.727 396 HD13 LEU 45 HD13 LEU 45 -7.814 1.899 3.470 397 HD21 LEU 45 HD21 LEU 45 -8.041 3.731 6.023 398 HD22 LEU 45 HD22 LEU 45 -7.760 2.423 7.182 399 HD23 LEU 45 HD23 LEU 45 -8.811 2.173 5.782 400 H ALA 46 H ALA 46 -3.690 1.870 6.250 401 HA ALA 46 HA ALA 46 -2.138 0.328 4.563 402 HB1 ALA 46 HB1 ALA 46 -1.110 2.366 6.531 403 HB2 ALA 46 HB2 ALA 46 -1.772 2.776 4.948 404 HB3 ALA 46 HB3 ALA 46 -0.288 1.824 5.081 405 H LEU 47 H LEU 47 -2.147 0.567 8.071 406 HA LEU 47 HA LEU 47 0.063 -1.140 8.524 407 HB2 LEU 47 HB2 LEU 47 -0.895 0.311 10.273 408 HB3 LEU 47 HB3 LEU 47 -2.385 -0.617 10.252 409 HG LEU 47 HG LEU 47 -1.134 -2.650 10.938 410 HD11 LEU 47 HD11 LEU 47 1.030 -2.553 10.220 411 HD12 LEU 47 HD12 LEU 47 1.302 -1.951 11.849 412 HD13 LEU 47 HD13 LEU 47 1.176 -0.823 10.503 413 HD21 LEU 47 HD21 LEU 47 -0.232 -1.549 13.217 414 HD22 LEU 47 HD22 LEU 47 -1.948 -1.650 12.866 415 HD23 LEU 47 HD23 LEU 47 -1.097 -0.142 12.599 416 H LYS 48 H LYS 48 -3.415 -1.672 8.178 417 HA LYS 48 HA LYS 48 -3.405 -4.503 8.560 418 HB2 LYS 48 HB2 LYS 48 -5.313 -2.703 7.036 419 HB3 LYS 48 HB3 LYS 48 -5.579 -4.404 7.384 420 HG2 LYS 48 HG2 LYS 48 -5.524 -3.993 9.792 421 HG3 LYS 48 HG3 LYS 48 -5.075 -2.333 9.546 422 HD2 LYS 48 HD2 LYS 48 -7.400 -2.163 9.926 423 HD3 LYS 48 HD3 LYS 48 -7.273 -2.079 8.190 424 HE2 LYS 48 HE2 LYS 48 -9.048 -3.641 9.162 425 HE3 LYS 48 HE3 LYS 48 -8.041 -4.316 7.894 426 HZ1 LYS 48 HZ1 LYS 48 -8.456 -5.371 10.330 427 HZ2 LYS 48 HZ2 LYS 48 -6.944 -4.683 10.568 428 HZ3 LYS 48 HZ3 LYS 48 -7.195 -5.824 9.327 429 H ILE 49 H ILE 49 -3.271 -2.443 5.660 430 HA ILE 49 HA ILE 49 -3.164 -4.643 3.879 431 HB ILE 49 HB ILE 49 -3.784 -2.112 3.417 432 HG12 ILE 49 HG12 ILE 49 -2.365 -3.971 1.489 433 HG13 ILE 49 HG13 ILE 49 -4.097 -3.884 1.793 434 HG21 ILE 49 HG21 ILE 49 -0.955 -2.144 2.338 435 HG22 ILE 49 HG22 ILE 49 -1.316 -1.419 3.901 436 HG23 ILE 49 HG23 ILE 49 -2.069 -0.792 2.443 437 HD11 ILE 49 HD11 ILE 49 -3.819 -1.358 1.058 438 HD12 ILE 49 HD12 ILE 49 -3.915 -2.631 -0.161 439 HD13 ILE 49 HD13 ILE 49 -2.349 -1.960 0.297 440 H ALA 50 H ALA 50 -0.683 -2.563 5.324 441 HA ALA 50 HA ALA 50 1.519 -3.608 3.927 442 HB1 ALA 50 HB1 ALA 50 1.660 -2.550 6.742 443 HB2 ALA 50 HB2 ALA 50 1.442 -1.482 5.344 444 HB3 ALA 50 HB3 ALA 50 2.882 -2.469 5.480 445 H TYR 51 H TYR 51 0.010 -4.458 7.010 446 HA TYR 51 HA TYR 51 1.825 -6.418 7.831 447 HB2 TYR 51 HB2 TYR 51 0.194 -5.624 9.383 448 HB3 TYR 51 HB3 TYR 51 -1.147 -6.109 8.365 449 HD1 TYR 51 HD1 TYR 51 1.689 -7.371 10.436 450 HD2 TYR 51 HD2 TYR 51 -1.945 -8.372 8.354 451 HE1 TYR 51 HE1 TYR 51 1.709 -9.599 11.485 452 HE2 TYR 51 HE2 TYR 51 -1.934 -10.595 9.397 453 HH TYR 51 HH TYR 51 0.463 -11.459 11.860 454 H TYR 52 H TYR 52 -1.155 -6.739 5.939 455 HA TYR 52 HA TYR 52 -0.685 -9.511 5.406 456 HB2 TYR 52 HB2 TYR 52 -2.620 -7.530 4.216 457 HB3 TYR 52 HB3 TYR 52 -2.458 -9.170 3.596 458 HD1 TYR 52 HD1 TYR 52 -2.435 -11.090 5.426 459 HD2 TYR 52 HD2 TYR 52 -4.121 -7.185 6.030 460 HE1 TYR 52 HE1 TYR 52 -3.778 -11.966 7.274 461 HE2 TYR 52 HE2 TYR 52 -5.474 -8.060 7.880 462 HH TYR 52 HH TYR 52 -5.113 -11.423 8.986 463 H LEU 53 H LEU 53 0.177 -6.524 3.881 464 HA LEU 53 HA LEU 53 1.103 -7.706 1.461 465 HB2 LEU 53 HB2 LEU 53 1.367 -5.034 2.721 466 HB3 LEU 53 HB3 LEU 53 2.489 -5.427 1.446 467 HG LEU 53 HG LEU 53 -0.526 -5.646 1.194 468 HD11 LEU 53 HD11 LEU 53 -0.554 -3.576 0.180 469 HD12 LEU 53 HD12 LEU 53 1.119 -3.685 -0.353 470 HD13 LEU 53 HD13 LEU 53 0.757 -3.287 1.326 471 HD21 LEU 53 HD21 LEU 53 1.711 -6.668 -0.354 472 HD22 LEU 53 HD22 LEU 53 0.794 -5.512 -1.315 473 HD23 LEU 53 HD23 LEU 53 0.003 -6.930 -0.602 474 H ASN 54 H ASN 54 2.183 -8.598 4.275 475 HA ASN 54 HA ASN 54 4.204 -9.459 4.986 476 HB2 ASN 54 HB2 ASN 54 4.544 -9.290 2.029 477 HB3 ASN 54 HB3 ASN 54 5.890 -9.802 2.980 478 HD21 ASN 54 HD21 ASN 54 4.184 -11.354 1.035 479 HD22 ASN 54 HD22 ASN 54 3.548 -12.666 1.883 480 H THR 55 H THR 55 3.777 -6.555 4.987 481 HA THR 55 HA THR 55 6.556 -5.791 5.057 482 HB THR 55 HB THR 55 4.770 -5.246 2.962 483 HG1 THR 55 HG1 THR 55 7.412 -4.318 3.508 484 HG21 THR 55 HG21 THR 55 5.378 -2.789 4.613 485 HG22 THR 55 HG22 THR 55 3.899 -3.278 3.805 486 HG23 THR 55 HG23 THR 55 5.244 -2.667 2.862 487 HA PRO 56 HA PRO 56 4.826 -3.772 8.708 488 HB2 PRO 56 HB2 PRO 56 7.100 -2.438 9.410 489 HB3 PRO 56 HB3 PRO 56 6.807 -4.137 9.825 490 HG2 PRO 56 HG2 PRO 56 8.396 -3.007 7.562 491 HG3 PRO 56 HG3 PRO 56 8.784 -4.360 8.648 492 HD2 PRO 56 HD2 PRO 56 7.906 -4.922 6.246 493 HD3 PRO 56 HD3 PRO 56 7.281 -5.831 7.624 494 H LEU 57 H LEU 57 4.260 -1.607 9.227 495 HA LEU 57 HA LEU 57 3.661 0.128 7.125 496 HB2 LEU 57 HB2 LEU 57 2.899 0.075 9.697 497 HB3 LEU 57 HB3 LEU 57 4.213 1.220 9.863 498 HG LEU 57 HG LEU 57 2.119 2.414 9.528 499 HD11 LEU 57 HD11 LEU 57 2.836 3.922 7.852 500 HD12 LEU 57 HD12 LEU 57 3.638 2.661 6.947 501 HD13 LEU 57 HD13 LEU 57 4.310 3.201 8.496 502 HD21 LEU 57 HD21 LEU 57 0.531 1.519 8.206 503 HD22 LEU 57 HD22 LEU 57 1.650 0.356 7.501 504 HD23 LEU 57 HD23 LEU 57 1.487 1.967 6.814 505 H GLU 58 H GLU 58 6.433 -0.084 9.224 506 HA GLU 58 HA GLU 58 7.784 2.269 8.547 507 HB2 GLU 58 HB2 GLU 58 8.991 -0.418 9.211 508 HB3 GLU 58 HB3 GLU 58 9.795 1.146 9.350 509 HG2 GLU 58 HG2 GLU 58 9.075 0.832 11.542 510 HG3 GLU 58 HG3 GLU 58 7.738 1.764 10.882 511 H ASP 59 H ASP 59 7.317 -0.672 6.679 512 HA ASP 59 HA ASP 59 9.528 -0.270 4.910 513 HB2 ASP 59 HB2 ASP 59 7.035 -1.893 4.758 514 HB3 ASP 59 HB3 ASP 59 7.918 -1.613 3.282 515 H ILE 60 H ILE 60 6.232 0.907 5.001 516 HA ILE 60 HA ILE 60 6.603 2.196 2.403 517 HB ILE 60 HB ILE 60 4.197 2.676 2.481 518 HG12 ILE 60 HG12 ILE 60 4.188 1.124 5.097 519 HG13 ILE 60 HG13 ILE 60 4.017 2.874 5.003 520 HG21 ILE 60 HG21 ILE 60 4.458 0.624 1.446 521 HG22 ILE 60 HG22 ILE 60 3.526 0.096 2.841 522 HG23 ILE 60 HG23 ILE 60 5.277 -0.105 2.830 523 HD11 ILE 60 HD11 ILE 60 1.833 2.657 4.607 524 HD12 ILE 60 HD12 ILE 60 2.007 0.907 4.728 525 HD13 ILE 60 HD13 ILE 60 2.168 1.713 3.161 526 H PHE 61 H PHE 61 6.321 3.029 5.762 527 HA PHE 61 HA PHE 61 6.329 5.894 5.069 528 HB2 PHE 61 HB2 PHE 61 5.513 4.368 7.464 529 HB3 PHE 61 HB3 PHE 61 6.383 5.854 7.792 530 HD1 PHE 61 HD1 PHE 61 3.692 4.681 5.406 531 HD2 PHE 61 HD2 PHE 61 5.098 7.788 8.032 532 HE1 PHE 61 HE1 PHE 61 1.670 6.010 4.928 533 HE2 PHE 61 HE2 PHE 61 3.062 9.108 7.544 534 HZ PHE 61 HZ PHE 61 1.348 8.219 5.993 535 H GLN 62 H GLN 62 8.441 5.835 4.205 536 HA GLN 62 HA GLN 62 10.367 6.449 6.240 537 HB2 GLN 62 HB2 GLN 62 12.098 5.013 4.744 538 HB3 GLN 62 HB3 GLN 62 11.300 4.356 6.169 539 HG2 GLN 62 HG2 GLN 62 9.547 3.371 4.722 540 HG3 GLN 62 HG3 GLN 62 10.345 4.040 3.305 541 HE21 GLN 62 HE21 GLN 62 10.265 1.349 5.363 542 HE22 GLN 62 HE22 GLN 62 11.692 0.584 4.816 543 H TRP 63 H TRP 63 12.322 7.417 5.290 544 HA TRP 63 HA TRP 63 11.567 8.959 2.902 545 HB2 TRP 63 HB2 TRP 63 13.398 9.550 5.236 546 HB3 TRP 63 HB3 TRP 63 13.384 10.504 3.751 547 HD1 TRP 63 HD1 TRP 63 10.494 9.086 5.931 548 HE1 TRP 63 HE1 TRP 63 8.844 10.983 6.381 549 HE3 TRP 63 HE3 TRP 63 12.911 12.915 3.586 550 HZ2 TRP 63 HZ2 TRP 63 8.580 13.781 5.847 551 HZ3 TRP 63 HZ3 TRP 63 11.937 15.194 3.585 552 HH2 TRP 63 HH2 TRP 63 9.773 15.622 4.716 553 H GLN 64 H GLN 64 12.821 8.862 1.130 554 HA GLN 64 HA GLN 64 15.106 7.014 1.182 555 HB2 GLN 64 HB2 GLN 64 12.967 7.095 -0.514 556 HB3 GLN 64 HB3 GLN 64 14.147 8.050 -1.407 557 HG2 GLN 64 HG2 GLN 64 15.809 6.232 -1.143 558 HG3 GLN 64 HG3 GLN 64 14.606 5.223 -0.361 559 HE21 GLN 64 HE21 GLN 64 14.661 7.306 -3.307 560 HE22 GLN 64 HE22 GLN 64 13.974 6.169 -4.335 561 HA PRO 65 HA PRO 65 17.436 10.942 1.088 562 HB2 PRO 65 HB2 PRO 65 19.688 8.999 0.953 563 HB3 PRO 65 HB3 PRO 65 19.462 10.381 2.024 564 HG2 PRO 65 HG2 PRO 65 19.152 7.963 2.982 565 HG3 PRO 65 HG3 PRO 65 18.004 9.229 3.442 566 HD2 PRO 65 HD2 PRO 65 17.621 7.027 1.434 567 HD3 PRO 65 HD3 PRO 65 16.492 7.670 2.661 568 H GLU 66 H GLU 66 18.291 11.998 -0.674 569 HA GLU 66 HA GLU 66 18.567 10.431 -3.153 570 HB2 GLU 66 HB2 GLU 66 17.652 13.277 -2.731 571 HB3 GLU 66 HB3 GLU 66 17.989 12.584 -4.311 572 HG2 GLU 66 HG2 GLU 66 16.332 10.813 -3.921 573 HG3 GLU 66 HG3 GLU 66 15.986 11.464 -2.328 Start of MODEL 5 1 H1 MET 1 H1 MET 1 10.794 9.865 3.700 2 HA MET 1 HA MET 1 8.717 11.572 3.013 3 HB2 MET 1 HB2 MET 1 11.427 12.832 2.548 4 HB3 MET 1 HB3 MET 1 9.938 13.385 1.791 5 HG2 MET 1 HG2 MET 1 10.437 13.226 4.781 6 HG3 MET 1 HG3 MET 1 10.469 14.702 3.826 7 HE1 MET 1 HE1 MET 1 8.718 15.776 2.697 8 HE2 MET 1 HE2 MET 1 6.978 15.481 2.823 9 HE3 MET 1 HE3 MET 1 7.975 14.491 1.767 10 H ILE 2 H ILE 2 11.842 10.394 1.874 11 HA ILE 2 HA ILE 2 11.199 10.256 -0.866 12 HB ILE 2 HB ILE 2 13.205 8.684 0.773 13 HG12 ILE 2 HG12 ILE 2 13.569 11.158 0.650 14 HG13 ILE 2 HG13 ILE 2 14.821 10.269 -0.195 15 HG21 ILE 2 HG21 ILE 2 14.251 8.502 -1.639 16 HG22 ILE 2 HG22 ILE 2 12.578 8.620 -2.161 17 HG23 ILE 2 HG23 ILE 2 13.080 7.316 -1.082 18 HD11 ILE 2 HD11 ILE 2 14.278 11.941 -1.718 19 HD12 ILE 2 HD12 ILE 2 12.560 11.873 -1.372 20 HD13 ILE 2 HD13 ILE 2 13.321 10.602 -2.317 21 H ILE 3 H ILE 3 10.963 7.827 1.704 22 HA ILE 3 HA ILE 3 9.393 6.153 -0.139 23 HB ILE 3 HB ILE 3 11.703 5.371 0.670 24 HG12 ILE 3 HG12 ILE 3 10.925 3.038 0.996 25 HG13 ILE 3 HG13 ILE 3 9.250 3.608 1.121 26 HG21 ILE 3 HG21 ILE 3 11.046 6.083 3.099 27 HG22 ILE 3 HG22 ILE 3 12.029 4.655 2.836 28 HG23 ILE 3 HG23 ILE 3 10.301 4.486 3.160 29 HD11 ILE 3 HD11 ILE 3 10.921 4.399 -1.250 30 HD12 ILE 3 HD12 ILE 3 9.172 4.171 -1.150 31 HD13 ILE 3 HD13 ILE 3 10.241 2.778 -1.178 32 H ASN 4 H ASN 4 7.404 5.595 0.472 33 HA ASN 4 HA ASN 4 6.409 5.358 3.096 34 HB2 ASN 4 HB2 ASN 4 4.923 7.367 3.110 35 HB3 ASN 4 HB3 ASN 4 6.618 7.764 3.308 36 HD21 ASN 4 HD21 ASN 4 7.567 9.130 1.724 37 HD22 ASN 4 HD22 ASN 4 6.749 9.692 0.358 38 H ASN 5 H ASN 5 5.802 6.154 -0.256 39 HA ASN 5 HA ASN 5 3.150 5.140 -0.327 40 HB2 ASN 5 HB2 ASN 5 3.646 5.090 -2.863 41 HB3 ASN 5 HB3 ASN 5 3.673 6.654 -2.064 42 HD21 ASN 5 HD21 ASN 5 5.130 5.988 -4.529 43 HD22 ASN 5 HD22 ASN 5 6.772 6.182 -4.194 44 H LEU 6 H LEU 6 2.867 3.097 0.259 45 HA LEU 6 HA LEU 6 4.874 1.185 0.184 46 HB2 LEU 6 HB2 LEU 6 3.222 -0.514 0.846 47 HB3 LEU 6 HB3 LEU 6 3.145 0.963 1.791 48 HG LEU 6 HG LEU 6 1.236 1.734 0.333 49 HD11 LEU 6 HD11 LEU 6 0.961 0.579 -1.618 50 HD12 LEU 6 HD12 LEU 6 0.207 -0.648 -0.629 51 HD13 LEU 6 HD13 LEU 6 1.904 -0.806 -1.053 52 HD21 LEU 6 HD21 LEU 6 1.000 -0.870 1.801 53 HD22 LEU 6 HD22 LEU 6 -0.388 0.143 1.387 54 HD23 LEU 6 HD23 LEU 6 0.863 0.735 2.513 55 H LYS 7 H LYS 7 2.569 1.906 -2.246 56 HA LYS 7 HA LYS 7 2.584 -0.438 -3.723 57 HB2 LYS 7 HB2 LYS 7 2.818 1.365 -5.775 58 HB3 LYS 7 HB3 LYS 7 1.318 0.937 -4.970 59 HG2 LYS 7 HG2 LYS 7 2.581 3.051 -3.387 60 HG3 LYS 7 HG3 LYS 7 2.655 3.452 -5.067 61 HD2 LYS 7 HD2 LYS 7 0.314 3.126 -5.433 62 HD3 LYS 7 HD3 LYS 7 0.081 2.556 -3.781 63 HE2 LYS 7 HE2 LYS 7 0.797 4.726 -2.913 64 HE3 LYS 7 HE3 LYS 7 1.061 5.330 -4.535 65 HZ1 LYS 7 HZ1 LYS 7 -1.583 4.286 -3.588 66 HZ2 LYS 7 HZ2 LYS 7 -1.262 5.139 -5.021 67 HZ3 LYS 7 HZ3 LYS 7 -1.128 5.920 -3.553 68 H LEU 8 H LEU 8 5.086 1.952 -3.372 69 HA LEU 8 HA LEU 8 6.918 0.947 -5.296 70 HB2 LEU 8 HB2 LEU 8 7.139 2.667 -2.846 71 HB3 LEU 8 HB3 LEU 8 8.606 2.073 -3.618 72 HG LEU 8 HG LEU 8 7.807 4.353 -4.408 73 HD11 LEU 8 HD11 LEU 8 8.729 2.085 -5.963 74 HD12 LEU 8 HD12 LEU 8 9.137 3.799 -6.105 75 HD13 LEU 8 HD13 LEU 8 7.736 3.163 -6.940 76 HD21 LEU 8 HD21 LEU 8 5.921 4.477 -5.897 77 HD22 LEU 8 HD22 LEU 8 5.332 3.688 -4.443 78 HD23 LEU 8 HD23 LEU 8 5.694 2.746 -5.896 79 H ILE 9 H ILE 9 6.198 0.187 -1.931 80 HA ILE 9 HA ILE 9 8.266 -1.788 -1.627 81 HB ILE 9 HB ILE 9 5.632 -1.503 -0.099 82 HG12 ILE 9 HG12 ILE 9 6.936 0.638 0.052 83 HG13 ILE 9 HG13 ILE 9 6.988 -0.251 1.564 84 HG21 ILE 9 HG21 ILE 9 7.932 -3.306 0.094 85 HG22 ILE 9 HG22 ILE 9 6.334 -3.398 0.840 86 HG23 ILE 9 HG23 ILE 9 7.591 -2.437 1.587 87 HD11 ILE 9 HD11 ILE 9 9.201 0.084 1.420 88 HD12 ILE 9 HD12 ILE 9 9.174 0.327 -0.318 89 HD13 ILE 9 HD13 ILE 9 9.179 -1.308 0.346 90 H ARG 10 H ARG 10 4.885 -1.671 -2.488 91 HA ARG 10 HA ARG 10 4.207 -4.369 -2.572 92 HB2 ARG 10 HB2 ARG 10 2.648 -2.396 -2.829 93 HB3 ARG 10 HB3 ARG 10 3.213 -2.279 -4.492 94 HG2 ARG 10 HG2 ARG 10 2.505 -4.998 -4.185 95 HG3 ARG 10 HG3 ARG 10 1.278 -4.082 -3.325 96 HD2 ARG 10 HD2 ARG 10 0.363 -4.002 -5.428 97 HD3 ARG 10 HD3 ARG 10 1.326 -2.542 -5.516 98 HE ARG 10 HE ARG 10 2.104 -5.207 -6.529 99 HH11 ARG 10 HH11 ARG 10 2.125 -1.679 -6.816 100 HH12 ARG 10 HH12 ARG 10 3.081 -1.667 -8.220 101 HH21 ARG 10 HH21 ARG 10 3.378 -5.126 -8.486 102 HH22 ARG 10 HH22 ARG 10 3.790 -3.615 -9.182 103 H GLU 11 H GLU 11 5.450 -2.319 -5.197 104 HA GLU 11 HA GLU 11 5.310 -4.261 -7.192 105 HB2 GLU 11 HB2 GLU 11 6.993 -2.858 -8.424 106 HB3 GLU 11 HB3 GLU 11 5.622 -1.954 -7.822 107 HG2 GLU 11 HG2 GLU 11 6.875 -1.209 -5.898 108 HG3 GLU 11 HG3 GLU 11 8.302 -2.129 -6.416 109 H LYS 12 H LYS 12 7.836 -3.617 -4.868 110 HA LYS 12 HA LYS 12 9.848 -5.213 -6.015 111 HB2 LYS 12 HB2 LYS 12 9.435 -4.744 -3.054 112 HB3 LYS 12 HB3 LYS 12 10.941 -5.145 -3.873 113 HG2 LYS 12 HG2 LYS 12 9.310 -2.645 -4.224 114 HG3 LYS 12 HG3 LYS 12 10.883 -2.732 -3.458 115 HD2 LYS 12 HD2 LYS 12 11.872 -3.533 -5.587 116 HD3 LYS 12 HD3 LYS 12 10.322 -3.335 -6.398 117 HE2 LYS 12 HE2 LYS 12 12.135 -1.213 -5.263 118 HE3 LYS 12 HE3 LYS 12 11.491 -1.429 -6.895 119 HZ1 LYS 12 HZ1 LYS 12 9.368 -1.041 -4.905 120 HZ2 LYS 12 HZ2 LYS 12 9.648 -0.371 -6.433 121 HZ3 LYS 12 HZ3 LYS 12 10.439 0.245 -5.097 122 H LYS 13 H LYS 13 7.357 -6.060 -3.658 123 HA LYS 13 HA LYS 13 8.278 -8.811 -3.594 124 HB2 LYS 13 HB2 LYS 13 6.318 -9.144 -2.016 125 HB3 LYS 13 HB3 LYS 13 7.592 -8.061 -1.474 126 HG2 LYS 13 HG2 LYS 13 6.318 -6.111 -2.127 127 HG3 LYS 13 HG3 LYS 13 5.041 -7.098 -2.829 128 HD2 LYS 13 HD2 LYS 13 4.043 -6.975 -0.838 129 HD3 LYS 13 HD3 LYS 13 5.254 -8.105 -0.237 130 HE2 LYS 13 HE2 LYS 13 6.127 -5.250 -0.285 131 HE3 LYS 13 HE3 LYS 13 4.817 -5.587 0.794 132 HZ1 LYS 13 HZ1 LYS 13 6.873 -5.827 1.868 133 HZ2 LYS 13 HZ2 LYS 13 7.457 -6.968 0.786 134 HZ3 LYS 13 HZ3 LYS 13 6.177 -7.357 1.846 135 H LYS 14 H LYS 14 6.751 -7.276 -5.833 136 HA LYS 14 HA LYS 14 5.460 -7.840 -7.612 137 HB2 LYS 14 HB2 LYS 14 5.900 -10.731 -7.003 138 HB3 LYS 14 HB3 LYS 14 5.917 -9.909 -8.558 139 HG2 LYS 14 HG2 LYS 14 8.069 -9.781 -6.397 140 HG3 LYS 14 HG3 LYS 14 8.189 -10.515 -7.983 141 HD2 LYS 14 HD2 LYS 14 7.652 -8.086 -8.903 142 HD3 LYS 14 HD3 LYS 14 8.097 -7.597 -7.282 143 HE2 LYS 14 HE2 LYS 14 9.875 -9.231 -9.094 144 HE3 LYS 14 HE3 LYS 14 10.038 -7.506 -8.799 145 HZ1 LYS 14 HZ1 LYS 14 10.599 -9.765 -7.013 146 HZ2 LYS 14 HZ2 LYS 14 10.076 -8.321 -6.290 147 HZ3 LYS 14 HZ3 LYS 14 11.458 -8.335 -7.258 148 H ILE 15 H ILE 15 4.009 -7.674 -5.033 149 HA ILE 15 HA ILE 15 1.856 -9.622 -5.447 150 HB ILE 15 HB ILE 15 2.520 -7.739 -3.202 151 HG12 ILE 15 HG12 ILE 15 1.393 -10.173 -2.333 152 HG13 ILE 15 HG13 ILE 15 2.395 -10.618 -3.692 153 HG21 ILE 15 HG21 ILE 15 -0.227 -8.582 -4.024 154 HG22 ILE 15 HG22 ILE 15 0.312 -7.083 -3.271 155 HG23 ILE 15 HG23 ILE 15 0.172 -8.547 -2.310 156 HD11 ILE 15 HD11 ILE 15 3.773 -10.699 -1.732 157 HD12 ILE 15 HD12 ILE 15 3.230 -9.097 -1.207 158 HD13 ILE 15 HD13 ILE 15 4.249 -9.267 -2.644 159 H SER 16 H SER 16 0.084 -9.231 -6.536 160 HA SER 16 HA SER 16 -0.198 -6.699 -7.855 161 HB2 SER 16 HB2 SER 16 -2.358 -8.152 -8.666 162 HB3 SER 16 HB3 SER 16 -0.778 -8.211 -9.416 163 HG SER 16 HG SER 16 -1.756 -9.863 -7.295 164 H GLN 17 H GLN 17 -2.491 -5.829 -8.140 165 HA GLN 17 HA GLN 17 -3.321 -4.691 -5.711 166 HB2 GLN 17 HB2 GLN 17 -4.811 -4.960 -8.334 167 HB3 GLN 17 HB3 GLN 17 -5.328 -3.944 -6.995 168 HG2 GLN 17 HG2 GLN 17 -3.268 -2.627 -7.169 169 HG3 GLN 17 HG3 GLN 17 -2.684 -3.675 -8.457 170 HE21 GLN 17 HE21 GLN 17 -4.376 -0.799 -7.909 171 HE22 GLN 17 HE22 GLN 17 -5.129 -0.676 -9.415 172 H SER 18 H SER 18 -4.596 -7.390 -7.582 173 HA SER 18 HA SER 18 -7.022 -7.800 -6.359 174 HB2 SER 18 HB2 SER 18 -5.162 -10.002 -7.256 175 HB3 SER 18 HB3 SER 18 -6.912 -10.064 -7.142 176 HG SER 18 HG SER 18 -5.399 -9.235 -9.166 177 H GLU 19 H GLU 19 -3.854 -9.035 -5.373 178 HA GLU 19 HA GLU 19 -4.712 -10.611 -3.219 179 HB2 GLU 19 HB2 GLU 19 -2.079 -9.327 -3.952 180 HB3 GLU 19 HB3 GLU 19 -2.268 -10.263 -2.486 181 HG2 GLU 19 HG2 GLU 19 -1.415 -11.602 -4.272 182 HG3 GLU 19 HG3 GLU 19 -3.021 -12.205 -3.818 183 H LEU 20 H LEU 20 -2.988 -7.585 -3.087 184 HA LEU 20 HA LEU 20 -3.285 -7.217 -0.331 185 HB2 LEU 20 HB2 LEU 20 -2.444 -4.904 -0.784 186 HB3 LEU 20 HB3 LEU 20 -1.457 -6.230 -1.387 187 HG LEU 20 HG LEU 20 -2.821 -5.906 -3.628 188 HD11 LEU 20 HD11 LEU 20 -3.003 -3.102 -3.391 189 HD12 LEU 20 HD12 LEU 20 -3.873 -3.788 -2.012 190 HD13 LEU 20 HD13 LEU 20 -4.275 -4.286 -3.659 191 HD21 LEU 20 HD21 LEU 20 -0.616 -5.407 -3.955 192 HD22 LEU 20 HD22 LEU 20 -0.520 -4.380 -2.519 193 HD23 LEU 20 HD23 LEU 20 -1.241 -3.755 -3.999 194 H ALA 21 H ALA 21 -5.112 -5.773 -2.948 195 HA ALA 21 HA ALA 21 -6.178 -3.705 -1.493 196 HB1 ALA 21 HB1 ALA 21 -7.939 -3.566 -3.332 197 HB2 ALA 21 HB2 ALA 21 -7.123 -4.971 -4.050 198 HB3 ALA 21 HB3 ALA 21 -6.254 -3.478 -3.811 199 H ALA 22 H ALA 22 -7.431 -6.937 -1.586 200 HA ALA 22 HA ALA 22 -10.071 -6.316 -0.733 201 HB1 ALA 22 HB1 ALA 22 -9.067 -8.587 -1.652 202 HB2 ALA 22 HB2 ALA 22 -10.448 -8.576 -0.567 203 HB3 ALA 22 HB3 ALA 22 -8.850 -8.920 0.063 204 H LEU 23 H LEU 23 -7.164 -6.965 1.077 205 HA LEU 23 HA LEU 23 -8.330 -7.552 3.521 206 HB2 LEU 23 HB2 LEU 23 -5.564 -6.719 2.752 207 HB3 LEU 23 HB3 LEU 23 -5.989 -6.827 4.447 208 HG LEU 23 HG LEU 23 -5.069 -8.985 3.622 209 HD11 LEU 23 HD11 LEU 23 -6.536 -10.336 4.746 210 HD12 LEU 23 HD12 LEU 23 -7.962 -9.509 4.146 211 HD13 LEU 23 HD13 LEU 23 -6.962 -8.755 5.393 212 HD21 LEU 23 HD21 LEU 23 -7.573 -9.197 1.921 213 HD22 LEU 23 HD22 LEU 23 -6.204 -10.299 1.979 214 HD23 LEU 23 HD23 LEU 23 -6.012 -8.704 1.254 215 H LEU 24 H LEU 24 -7.695 -4.430 2.268 216 HA LEU 24 HA LEU 24 -7.450 -3.054 4.705 217 HB2 LEU 24 HB2 LEU 24 -8.479 -1.143 2.997 218 HB3 LEU 24 HB3 LEU 24 -6.775 -1.512 3.213 219 HG LEU 24 HG LEU 24 -8.514 -3.029 1.230 220 HD11 LEU 24 HD11 LEU 24 -8.362 -1.459 -0.312 221 HD12 LEU 24 HD12 LEU 24 -6.704 -1.047 0.100 222 HD13 LEU 24 HD13 LEU 24 -8.043 -0.317 0.994 223 HD21 LEU 24 HD21 LEU 24 -5.843 -3.368 2.155 224 HD22 LEU 24 HD22 LEU 24 -5.730 -2.673 0.527 225 HD23 LEU 24 HD23 LEU 24 -6.644 -4.141 0.788 226 H GLU 25 H GLU 25 -10.071 -4.722 4.018 227 HA GLU 25 HA GLU 25 -12.263 -4.686 4.637 228 HB2 GLU 25 HB2 GLU 25 -11.174 -2.711 6.670 229 HB3 GLU 25 HB3 GLU 25 -12.812 -3.341 6.698 230 HG2 GLU 25 HG2 GLU 25 -11.997 -5.619 6.851 231 HG3 GLU 25 HG3 GLU 25 -10.318 -5.065 6.774 232 H VAL 26 H VAL 26 -11.479 -3.019 2.489 233 HA VAL 26 HA VAL 26 -13.841 -1.288 2.436 234 HB VAL 26 HB VAL 26 -12.607 0.363 1.089 235 HG11 VAL 26 HG11 VAL 26 -11.164 -0.132 3.704 236 HG12 VAL 26 HG12 VAL 26 -12.759 0.600 3.589 237 HG13 VAL 26 HG13 VAL 26 -11.357 1.408 2.877 238 HG21 VAL 26 HG21 VAL 26 -10.086 -1.104 1.891 239 HG22 VAL 26 HG22 VAL 26 -10.222 0.237 0.768 240 HG23 VAL 26 HG23 VAL 26 -10.838 -1.352 0.320 241 H SER 27 H SER 27 -14.508 -0.976 0.064 242 HA SER 27 HA SER 27 -14.492 -3.485 -1.154 243 HB2 SER 27 HB2 SER 27 -15.117 -1.812 -3.224 244 HB3 SER 27 HB3 SER 27 -16.262 -2.354 -2.007 245 HG SER 27 HG SER 27 -14.851 0.024 -2.329 246 H ARG 28 H ARG 28 -13.088 -4.430 -2.467 247 HA ARG 28 HA ARG 28 -10.487 -3.488 -2.667 248 HB2 ARG 28 HB2 ARG 28 -11.214 -5.896 -2.713 249 HB3 ARG 28 HB3 ARG 28 -11.647 -5.688 -4.416 250 HG2 ARG 28 HG2 ARG 28 -9.222 -4.940 -4.825 251 HG3 ARG 28 HG3 ARG 28 -9.034 -5.263 -3.103 252 HD2 ARG 28 HD2 ARG 28 -8.190 -7.167 -4.437 253 HD3 ARG 28 HD3 ARG 28 -9.496 -7.609 -3.356 254 HE ARG 28 HE ARG 28 -10.609 -6.980 -5.870 255 HH11 ARG 28 HH11 ARG 28 -8.380 -9.340 -4.459 256 HH12 ARG 28 HH12 ARG 28 -8.948 -10.612 -5.438 257 HH21 ARG 28 HH21 ARG 28 -11.335 -8.745 -7.166 258 HH22 ARG 28 HH22 ARG 28 -10.627 -10.284 -6.990 259 H GLN 29 H GLN 29 -13.022 -3.536 -5.064 260 HA GLN 29 HA GLN 29 -11.494 -2.625 -7.237 261 HB2 GLN 29 HB2 GLN 29 -13.728 -1.811 -8.132 262 HB3 GLN 29 HB3 GLN 29 -13.641 -3.520 -7.725 263 HG2 GLN 29 HG2 GLN 29 -14.746 -3.155 -5.612 264 HG3 GLN 29 HG3 GLN 29 -14.726 -1.409 -5.814 265 HE21 GLN 29 HE21 GLN 29 -16.564 -0.534 -6.821 266 HE22 GLN 29 HE22 GLN 29 -17.703 -1.445 -7.683 267 H THR 30 H THR 30 -13.269 -0.819 -4.739 268 HA THR 30 HA THR 30 -13.025 1.686 -5.930 269 HB THR 30 HB THR 30 -13.187 2.280 -3.283 270 HG1 THR 30 HG1 THR 30 -13.002 0.188 -2.592 271 HG21 THR 30 HG21 THR 30 -15.659 2.119 -3.619 272 HG22 THR 30 HG22 THR 30 -15.370 1.242 -5.119 273 HG23 THR 30 HG23 THR 30 -14.839 2.906 -4.964 274 H ILE 31 H ILE 31 -10.902 0.109 -3.513 275 HA ILE 31 HA ILE 31 -9.192 2.323 -3.312 276 HB ILE 31 HB ILE 31 -9.195 0.383 -1.719 277 HG12 ILE 31 HG12 ILE 31 -6.710 0.359 -1.411 278 HG13 ILE 31 HG13 ILE 31 -6.526 1.154 -2.967 279 HG21 ILE 31 HG21 ILE 31 -7.936 -1.006 -4.093 280 HG22 ILE 31 HG22 ILE 31 -9.223 -1.550 -3.011 281 HG23 ILE 31 HG23 ILE 31 -7.560 -1.472 -2.434 282 HD11 ILE 31 HD11 ILE 31 -7.361 3.161 -2.203 283 HD12 ILE 31 HD12 ILE 31 -6.638 2.556 -0.720 284 HD13 ILE 31 HD13 ILE 31 -8.376 2.409 -0.959 285 H ASN 32 H ASN 32 -9.431 -0.258 -5.593 286 HA ASN 32 HA ASN 32 -6.966 0.154 -6.965 287 HB2 ASN 32 HB2 ASN 32 -8.729 -1.781 -7.184 288 HB3 ASN 32 HB3 ASN 32 -9.462 -0.720 -8.373 289 HD21 ASN 32 HD21 ASN 32 -7.677 -3.332 -8.501 290 HD22 ASN 32 HD22 ASN 32 -6.553 -2.920 -9.701 291 H GLY 33 H GLY 33 -10.244 1.380 -7.432 292 HA2 GLY 33 HA2 GLY 33 -9.589 3.142 -9.583 293 HA3 GLY 33 HA3 GLY 33 -11.068 3.145 -8.646 294 H ILE 34 H ILE 34 -9.984 3.504 -6.103 295 HA ILE 34 HA ILE 34 -9.874 6.243 -6.168 296 HB ILE 34 HB ILE 34 -9.932 4.264 -4.006 297 HG12 ILE 34 HG12 ILE 34 -11.665 6.045 -3.213 298 HG13 ILE 34 HG13 ILE 34 -11.325 6.844 -4.737 299 HG21 ILE 34 HG21 ILE 34 -8.055 5.532 -3.206 300 HG22 ILE 34 HG22 ILE 34 -9.516 5.866 -2.265 301 HG23 ILE 34 HG23 ILE 34 -8.939 7.057 -3.411 302 HD11 ILE 34 HD11 ILE 34 -13.243 5.462 -5.060 303 HD12 ILE 34 HD12 ILE 34 -12.411 4.055 -4.411 304 HD13 ILE 34 HD13 ILE 34 -11.907 4.754 -5.954 305 H GLU 35 H GLU 35 -7.107 4.098 -5.610 306 HA GLU 35 HA GLU 35 -5.336 6.301 -5.202 307 HB2 GLU 35 HB2 GLU 35 -4.825 3.489 -6.190 308 HB3 GLU 35 HB3 GLU 35 -3.531 4.685 -6.083 309 HG2 GLU 35 HG2 GLU 35 -4.114 4.998 -3.653 310 HG3 GLU 35 HG3 GLU 35 -5.279 3.698 -3.806 311 H LYS 36 H LYS 36 -6.900 4.935 -7.898 312 HA LYS 36 HA LYS 36 -5.297 6.209 -9.897 313 HB2 LYS 36 HB2 LYS 36 -6.519 4.121 -10.368 314 HB3 LYS 36 HB3 LYS 36 -8.055 4.963 -10.192 315 HG2 LYS 36 HG2 LYS 36 -7.009 6.606 -12.057 316 HG3 LYS 36 HG3 LYS 36 -5.954 5.278 -12.315 317 HD2 LYS 36 HD2 LYS 36 -7.560 4.509 -13.712 318 HD3 LYS 36 HD3 LYS 36 -8.336 3.922 -12.252 319 HE2 LYS 36 HE2 LYS 36 -8.936 6.442 -13.810 320 HE3 LYS 36 HE3 LYS 36 -10.031 5.147 -13.334 321 HZ1 LYS 36 HZ1 LYS 36 -9.982 5.882 -11.073 322 HZ2 LYS 36 HZ2 LYS 36 -10.224 7.240 -12.004 323 HZ3 LYS 36 HZ3 LYS 36 -8.709 6.958 -11.328 324 H ASN 37 H ASN 37 -5.827 8.172 -8.194 325 HA ASN 37 HA ASN 37 -6.143 10.442 -8.821 326 HB2 ASN 37 HB2 ASN 37 -8.660 9.551 -10.201 327 HB3 ASN 37 HB3 ASN 37 -8.145 11.184 -10.022 328 HD21 ASN 37 HD21 ASN 37 -5.175 10.464 -10.363 329 HD22 ASN 37 HD22 ASN 37 -5.001 10.220 -12.014 330 H LYS 38 H LYS 38 -7.664 8.515 -6.693 331 HA LYS 38 HA LYS 38 -9.441 10.722 -5.864 332 HB2 LYS 38 HB2 LYS 38 -9.600 7.861 -4.998 333 HB3 LYS 38 HB3 LYS 38 -10.778 9.127 -4.707 334 HG2 LYS 38 HG2 LYS 38 -10.042 7.945 -7.420 335 HG3 LYS 38 HG3 LYS 38 -11.570 7.744 -6.582 336 HD2 LYS 38 HD2 LYS 38 -11.483 10.453 -6.658 337 HD3 LYS 38 HD3 LYS 38 -10.493 10.097 -8.033 338 HE2 LYS 38 HE2 LYS 38 -12.713 10.209 -8.908 339 HE3 LYS 38 HE3 LYS 38 -12.253 8.516 -8.920 340 HZ1 LYS 38 HZ1 LYS 38 -14.470 9.612 -7.692 341 HZ2 LYS 38 HZ2 LYS 38 -13.449 9.232 -6.417 342 HZ3 LYS 38 HZ3 LYS 38 -13.908 8.027 -7.491 343 H TYR 39 H TYR 39 -7.427 8.187 -4.354 344 HA TYR 39 HA TYR 39 -6.229 10.016 -2.534 345 HB2 TYR 39 HB2 TYR 39 -7.976 10.275 -1.126 346 HB3 TYR 39 HB3 TYR 39 -8.877 8.985 -1.867 347 HD1 TYR 39 HD1 TYR 39 -8.008 6.509 -1.231 348 HD2 TYR 39 HD2 TYR 39 -7.259 10.047 1.087 349 HE1 TYR 39 HE1 TYR 39 -7.689 5.117 0.759 350 HE2 TYR 39 HE2 TYR 39 -6.917 8.633 3.105 351 HH TYR 39 HH TYR 39 -6.896 6.568 3.931 352 H ASN 40 H ASN 40 -4.737 9.050 -1.147 353 HA ASN 40 HA ASN 40 -3.936 6.324 -1.908 354 HB2 ASN 40 HB2 ASN 40 -2.507 8.545 -0.426 355 HB3 ASN 40 HB3 ASN 40 -1.865 6.919 -0.568 356 HD21 ASN 40 HD21 ASN 40 -2.476 9.877 -2.347 357 HD22 ASN 40 HD22 ASN 40 -1.699 9.384 -3.771 358 HA PRO 41 HA PRO 41 -5.553 4.602 1.822 359 HB2 PRO 41 HB2 PRO 41 -2.880 3.350 2.234 360 HB3 PRO 41 HB3 PRO 41 -4.490 2.613 2.294 361 HG2 PRO 41 HG2 PRO 41 -2.942 2.250 0.204 362 HG3 PRO 41 HG3 PRO 41 -4.699 2.503 0.017 363 HD2 PRO 41 HD2 PRO 41 -2.461 4.386 -0.626 364 HD3 PRO 41 HD3 PRO 41 -4.066 4.241 -1.365 365 H SER 42 H SER 42 -5.692 5.361 3.859 366 HA SER 42 HA SER 42 -3.960 7.366 4.858 367 HB2 SER 42 HB2 SER 42 -5.917 5.779 6.545 368 HB3 SER 42 HB3 SER 42 -5.408 7.448 6.713 369 HG SER 42 HG SER 42 -7.534 6.978 5.710 370 H LEU 43 H LEU 43 -2.651 7.184 6.842 371 HA LEU 43 HA LEU 43 -0.893 5.030 6.706 372 HB2 LEU 43 HB2 LEU 43 -0.537 7.360 7.793 373 HB3 LEU 43 HB3 LEU 43 -1.243 6.654 9.239 374 HG LEU 43 HG LEU 43 1.317 6.621 9.051 375 HD11 LEU 43 HD11 LEU 43 0.502 3.807 9.416 376 HD12 LEU 43 HD12 LEU 43 -0.366 4.989 10.406 377 HD13 LEU 43 HD13 LEU 43 1.384 4.888 10.478 378 HD21 LEU 43 HD21 LEU 43 0.864 4.180 7.303 379 HD22 LEU 43 HD22 LEU 43 2.362 4.995 7.700 380 HD23 LEU 43 HD23 LEU 43 1.246 5.769 6.600 381 H GLN 44 H GLN 44 -3.666 5.621 8.778 382 HA GLN 44 HA GLN 44 -3.468 3.318 10.437 383 HB2 GLN 44 HB2 GLN 44 -5.857 4.920 9.490 384 HB3 GLN 44 HB3 GLN 44 -5.950 3.658 10.717 385 HG2 GLN 44 HG2 GLN 44 -4.371 4.905 12.133 386 HG3 GLN 44 HG3 GLN 44 -4.198 6.139 10.896 387 HE21 GLN 44 HE21 GLN 44 -5.922 5.413 13.702 388 HE22 GLN 44 HE22 GLN 44 -7.227 6.467 13.455 389 H LEU 45 H LEU 45 -5.067 3.965 7.371 390 HA LEU 45 HA LEU 45 -6.180 1.413 6.890 391 HB2 LEU 45 HB2 LEU 45 -6.976 3.333 5.674 392 HB3 LEU 45 HB3 LEU 45 -5.379 3.651 5.022 393 HG LEU 45 HG LEU 45 -5.438 1.546 3.748 394 HD11 LEU 45 HD11 LEU 45 -7.800 0.511 3.694 395 HD12 LEU 45 HD12 LEU 45 -7.908 1.118 5.363 396 HD13 LEU 45 HD13 LEU 45 -6.594 0.006 4.873 397 HD21 LEU 45 HD21 LEU 45 -6.991 3.808 3.234 398 HD22 LEU 45 HD22 LEU 45 -8.113 2.475 3.000 399 HD23 LEU 45 HD23 LEU 45 -6.615 2.534 2.081 400 H ALA 46 H ALA 46 -3.160 2.907 5.934 401 HA ALA 46 HA ALA 46 -2.220 1.057 4.171 402 HB1 ALA 46 HB1 ALA 46 -0.056 1.953 4.499 403 HB2 ALA 46 HB2 ALA 46 -0.467 2.474 6.147 404 HB3 ALA 46 HB3 ALA 46 -1.229 3.252 4.750 405 H LEU 47 H LEU 47 -2.240 0.861 7.644 406 HA LEU 47 HA LEU 47 -0.378 -1.222 7.963 407 HB2 LEU 47 HB2 LEU 47 -1.121 0.065 9.865 408 HB3 LEU 47 HB3 LEU 47 -2.780 -0.533 9.681 409 HG LEU 47 HG LEU 47 -1.948 -2.844 10.133 410 HD11 LEU 47 HD11 LEU 47 0.727 -1.447 10.415 411 HD12 LEU 47 HD12 LEU 47 0.298 -2.764 9.299 412 HD13 LEU 47 HD13 LEU 47 0.371 -3.059 11.015 413 HD21 LEU 47 HD21 LEU 47 -1.403 -2.521 12.508 414 HD22 LEU 47 HD22 LEU 47 -2.696 -1.428 12.026 415 HD23 LEU 47 HD23 LEU 47 -1.046 -0.822 12.226 416 H LYS 48 H LYS 48 -3.883 -1.312 7.436 417 HA LYS 48 HA LYS 48 -4.207 -4.107 7.701 418 HB2 LYS 48 HB2 LYS 48 -5.753 -2.095 6.055 419 HB3 LYS 48 HB3 LYS 48 -6.235 -3.779 6.290 420 HG2 LYS 48 HG2 LYS 48 -6.339 -3.464 8.700 421 HG3 LYS 48 HG3 LYS 48 -5.820 -1.785 8.543 422 HD2 LYS 48 HD2 LYS 48 -7.829 -1.303 7.157 423 HD3 LYS 48 HD3 LYS 48 -8.378 -2.962 7.378 424 HE2 LYS 48 HE2 LYS 48 -7.820 -1.096 9.703 425 HE3 LYS 48 HE3 LYS 48 -9.402 -1.288 8.951 426 HZ1 LYS 48 HZ1 LYS 48 -8.716 -2.783 10.956 427 HZ2 LYS 48 HZ2 LYS 48 -7.959 -3.711 9.763 428 HZ3 LYS 48 HZ3 LYS 48 -9.611 -3.406 9.645 429 H ILE 49 H ILE 49 -3.580 -2.094 4.864 430 HA ILE 49 HA ILE 49 -3.391 -4.367 3.126 431 HB ILE 49 HB ILE 49 -4.031 -2.301 2.102 432 HG12 ILE 49 HG12 ILE 49 -1.167 -2.844 1.248 433 HG13 ILE 49 HG13 ILE 49 -2.538 -3.883 0.837 434 HG21 ILE 49 HG21 ILE 49 -2.551 -0.351 2.010 435 HG22 ILE 49 HG22 ILE 49 -1.390 -1.161 3.055 436 HG23 ILE 49 HG23 ILE 49 -3.007 -0.748 3.660 437 HD11 ILE 49 HD11 ILE 49 -3.641 -1.928 -0.257 438 HD12 ILE 49 HD12 ILE 49 -2.093 -2.329 -0.990 439 HD13 ILE 49 HD13 ILE 49 -2.214 -0.956 0.098 440 H ALA 50 H ALA 50 -1.052 -2.306 4.794 441 HA ALA 50 HA ALA 50 1.252 -3.421 3.671 442 HB1 ALA 50 HB1 ALA 50 2.468 -2.421 5.519 443 HB2 ALA 50 HB2 ALA 50 0.991 -2.267 6.465 444 HB3 ALA 50 HB3 ALA 50 1.205 -1.319 4.996 445 H TYR 51 H TYR 51 -0.597 -4.366 6.540 446 HA TYR 51 HA TYR 51 1.170 -6.373 7.466 447 HB2 TYR 51 HB2 TYR 51 -0.409 -6.195 9.089 448 HB3 TYR 51 HB3 TYR 51 -1.612 -5.576 7.982 449 HD1 TYR 51 HD1 TYR 51 0.132 -8.772 8.888 450 HD2 TYR 51 HD2 TYR 51 -3.426 -6.922 7.338 451 HE1 TYR 51 HE1 TYR 51 -0.986 -10.960 8.833 452 HE2 TYR 51 HE2 TYR 51 -4.548 -9.109 7.288 453 HH TYR 51 HH TYR 51 -2.984 -11.913 7.351 454 H TYR 52 H TYR 52 -1.688 -6.699 5.400 455 HA TYR 52 HA TYR 52 -1.126 -9.419 4.807 456 HB2 TYR 52 HB2 TYR 52 -3.384 -8.531 4.561 457 HB3 TYR 52 HB3 TYR 52 -2.859 -7.506 3.221 458 HD1 TYR 52 HD1 TYR 52 -3.147 -11.061 4.338 459 HD2 TYR 52 HD2 TYR 52 -2.525 -8.400 1.031 460 HE1 TYR 52 HE1 TYR 52 -3.327 -12.954 2.796 461 HE2 TYR 52 HE2 TYR 52 -2.705 -10.300 -0.529 462 HH TYR 52 HH TYR 52 -4.038 -12.855 -0.122 463 H LEU 53 H LEU 53 -0.474 -6.369 3.177 464 HA LEU 53 HA LEU 53 0.619 -7.430 0.842 465 HB2 LEU 53 HB2 LEU 53 -0.097 -5.085 1.041 466 HB3 LEU 53 HB3 LEU 53 1.217 -4.787 2.176 467 HG LEU 53 HG LEU 53 2.880 -5.197 0.442 468 HD11 LEU 53 HD11 LEU 53 2.068 -5.582 -1.929 469 HD12 LEU 53 HD12 LEU 53 0.474 -5.910 -1.263 470 HD13 LEU 53 HD13 LEU 53 1.828 -6.959 -0.862 471 HD21 LEU 53 HD21 LEU 53 2.470 -3.302 -0.948 472 HD22 LEU 53 HD22 LEU 53 1.705 -2.942 0.594 473 HD23 LEU 53 HD23 LEU 53 0.720 -3.453 -0.767 474 H ASN 54 H ASN 54 1.697 -8.299 3.675 475 HA ASN 54 HA ASN 54 3.633 -9.279 4.373 476 HB2 ASN 54 HB2 ASN 54 4.262 -8.988 1.447 477 HB3 ASN 54 HB3 ASN 54 5.252 -9.851 2.581 478 HD21 ASN 54 HD21 ASN 54 2.970 -10.448 0.292 479 HD22 ASN 54 HD22 ASN 54 2.208 -11.798 0.962 480 H THR 55 H THR 55 3.476 -6.390 4.593 481 HA THR 55 HA THR 55 6.294 -5.930 4.722 482 HB THR 55 HB THR 55 4.694 -5.041 2.608 483 HG1 THR 55 HG1 THR 55 7.343 -4.134 3.074 484 HG21 THR 55 HG21 THR 55 5.845 -2.719 4.205 485 HG22 THR 55 HG22 THR 55 4.140 -3.018 3.878 486 HG23 THR 55 HG23 THR 55 5.214 -2.608 2.564 487 HA PRO 56 HA PRO 56 4.774 -4.333 8.622 488 HB2 PRO 56 HB2 PRO 56 7.556 -3.316 8.766 489 HB3 PRO 56 HB3 PRO 56 6.622 -4.280 9.929 490 HG2 PRO 56 HG2 PRO 56 8.514 -5.412 8.453 491 HG3 PRO 56 HG3 PRO 56 7.002 -6.264 8.827 492 HD2 PRO 56 HD2 PRO 56 7.864 -5.071 6.232 493 HD3 PRO 56 HD3 PRO 56 6.816 -6.461 6.581 494 H LEU 57 H LEU 57 4.264 -2.337 9.533 495 HA LEU 57 HA LEU 57 3.847 -0.173 7.794 496 HB2 LEU 57 HB2 LEU 57 2.808 -0.720 10.173 497 HB3 LEU 57 HB3 LEU 57 4.160 0.237 10.764 498 HG LEU 57 HG LEU 57 2.192 1.663 10.486 499 HD11 LEU 57 HD11 LEU 57 4.611 2.423 9.798 500 HD12 LEU 57 HD12 LEU 57 3.232 3.444 9.459 501 HD13 LEU 57 HD13 LEU 57 3.924 2.468 8.172 502 HD21 LEU 57 HD21 LEU 57 1.257 0.173 8.575 503 HD22 LEU 57 HD22 LEU 57 2.275 1.133 7.507 504 HD23 LEU 57 HD23 LEU 57 1.017 1.913 8.436 505 H GLU 58 H GLU 58 6.386 -0.902 10.156 506 HA GLU 58 HA GLU 58 7.970 1.427 9.881 507 HB2 GLU 58 HB2 GLU 58 8.806 -1.444 10.420 508 HB3 GLU 58 HB3 GLU 58 9.783 -0.008 10.658 509 HG2 GLU 58 HG2 GLU 58 8.958 -0.412 12.790 510 HG3 GLU 58 HG3 GLU 58 7.876 0.831 12.221 511 H ASP 59 H ASP 59 7.360 -1.342 7.861 512 HA ASP 59 HA ASP 59 9.729 -1.047 6.259 513 HB2 ASP 59 HB2 ASP 59 8.598 -3.229 6.599 514 HB3 ASP 59 HB3 ASP 59 7.271 -2.672 5.585 515 H ILE 60 H ILE 60 6.404 0.074 6.012 516 HA ILE 60 HA ILE 60 7.004 1.161 3.363 517 HB ILE 60 HB ILE 60 4.769 2.095 3.360 518 HG12 ILE 60 HG12 ILE 60 4.405 0.942 6.134 519 HG13 ILE 60 HG13 ILE 60 4.733 2.656 5.869 520 HG21 ILE 60 HG21 ILE 60 5.006 -0.295 2.791 521 HG22 ILE 60 HG22 ILE 60 3.467 -0.001 3.608 522 HG23 ILE 60 HG23 ILE 60 4.811 -0.709 4.496 523 HD11 ILE 60 HD11 ILE 60 2.305 1.052 5.124 524 HD12 ILE 60 HD12 ILE 60 2.728 2.475 4.173 525 HD13 ILE 60 HD13 ILE 60 2.400 2.644 5.897 526 H PHE 61 H PHE 61 7.019 2.136 6.648 527 HA PHE 61 HA PHE 61 7.721 4.906 5.917 528 HB2 PHE 61 HB2 PHE 61 6.798 3.608 8.460 529 HB3 PHE 61 HB3 PHE 61 7.846 5.009 8.569 530 HD1 PHE 61 HD1 PHE 61 5.445 4.520 5.749 531 HD2 PHE 61 HD2 PHE 61 6.171 6.516 9.500 532 HE1 PHE 61 HE1 PHE 61 3.540 6.010 5.333 533 HE2 PHE 61 HE2 PHE 61 4.252 8.008 9.061 534 HZ PHE 61 HZ PHE 61 2.933 7.763 6.981 535 H GLN 62 H GLN 62 9.307 2.474 5.439 536 HA GLN 62 HA GLN 62 11.546 2.384 7.185 537 HB2 GLN 62 HB2 GLN 62 12.621 1.101 5.403 538 HB3 GLN 62 HB3 GLN 62 10.946 0.580 5.565 539 HG2 GLN 62 HG2 GLN 62 10.301 2.083 3.671 540 HG3 GLN 62 HG3 GLN 62 11.980 2.547 3.494 541 HE21 GLN 62 HE21 GLN 62 10.159 -0.517 3.762 542 HE22 GLN 62 HE22 GLN 62 10.988 -1.322 2.532 543 H TRP 63 H TRP 63 13.764 2.657 5.780 544 HA TRP 63 HA TRP 63 13.780 5.302 4.512 545 HB2 TRP 63 HB2 TRP 63 14.729 5.058 7.036 546 HB3 TRP 63 HB3 TRP 63 16.181 4.630 6.143 547 HD1 TRP 63 HD1 TRP 63 14.611 7.495 7.556 548 HE1 TRP 63 HE1 TRP 63 15.292 9.681 6.398 549 HE3 TRP 63 HE3 TRP 63 16.659 5.625 3.254 550 HZ2 TRP 63 HZ2 TRP 63 16.541 10.532 3.968 551 HZ3 TRP 63 HZ3 TRP 63 17.578 7.143 1.552 552 HH2 TRP 63 HH2 TRP 63 17.525 9.596 1.897 553 H GLN 64 H GLN 64 13.563 3.545 2.830 554 HA GLN 64 HA GLN 64 14.475 1.886 1.437 555 HB2 GLN 64 HB2 GLN 64 16.316 4.202 0.834 556 HB3 GLN 64 HB3 GLN 64 15.698 2.975 -0.267 557 HG2 GLN 64 HG2 GLN 64 14.134 4.531 -0.782 558 HG3 GLN 64 HG3 GLN 64 13.341 3.994 0.687 559 HE21 GLN 64 HE21 GLN 64 15.661 6.440 -0.528 560 HE22 GLN 64 HE22 GLN 64 15.326 7.588 0.677 561 HA PRO 65 HA PRO 65 18.211 0.939 4.155 562 HB2 PRO 65 HB2 PRO 65 17.480 -1.591 4.778 563 HB3 PRO 65 HB3 PRO 65 16.940 -0.184 5.709 564 HG2 PRO 65 HG2 PRO 65 15.460 -1.729 3.631 565 HG3 PRO 65 HG3 PRO 65 14.905 -1.064 5.178 566 HD2 PRO 65 HD2 PRO 65 14.415 0.165 2.812 567 HD3 PRO 65 HD3 PRO 65 14.592 1.067 4.337 568 H GLU 66 H GLU 66 16.533 -0.506 1.503 569 HA GLU 66 HA GLU 66 17.233 -1.500 -0.426 570 HB2 GLU 66 HB2 GLU 66 20.057 -1.141 0.691 571 HB3 GLU 66 HB3 GLU 66 19.643 -1.696 -0.904 572 HG2 GLU 66 HG2 GLU 66 18.534 0.337 -1.486 573 HG3 GLU 66 HG3 GLU 66 18.660 0.952 0.161 Start of MODEL 6 1 H1 MET 1 H1 MET 1 10.694 12.040 -3.741 2 HA MET 1 HA MET 1 8.776 10.575 -2.890 3 HB2 MET 1 HB2 MET 1 9.915 8.897 -5.124 4 HB3 MET 1 HB3 MET 1 8.810 8.297 -3.893 5 HG2 MET 1 HG2 MET 1 7.138 10.007 -4.578 6 HG3 MET 1 HG3 MET 1 8.212 10.537 -5.867 7 HE1 MET 1 HE1 MET 1 9.080 9.289 -7.627 8 HE2 MET 1 HE2 MET 1 8.325 7.900 -8.432 9 HE3 MET 1 HE3 MET 1 9.433 7.654 -7.092 10 H ILE 2 H ILE 2 10.217 10.932 -1.138 11 HA ILE 2 HA ILE 2 12.699 9.583 -0.828 12 HB ILE 2 HB ILE 2 10.750 10.688 1.230 13 HG12 ILE 2 HG12 ILE 2 11.824 12.355 -0.332 14 HG13 ILE 2 HG13 ILE 2 12.339 12.566 1.337 15 HG21 ILE 2 HG21 ILE 2 13.257 10.636 2.394 16 HG22 ILE 2 HG22 ILE 2 13.211 9.100 1.547 17 HG23 ILE 2 HG23 ILE 2 11.956 9.497 2.723 18 HD11 ILE 2 HD11 ILE 2 14.449 12.303 0.726 19 HD12 ILE 2 HD12 ILE 2 13.957 12.081 -0.947 20 HD13 ILE 2 HD13 ILE 2 14.128 10.683 0.133 21 H ILE 3 H ILE 3 9.390 8.849 0.072 22 HA ILE 3 HA ILE 3 10.186 6.144 0.921 23 HB ILE 3 HB ILE 3 7.601 7.662 1.405 24 HG12 ILE 3 HG12 ILE 3 9.528 8.690 2.595 25 HG13 ILE 3 HG13 ILE 3 8.442 7.888 3.719 26 HG21 ILE 3 HG21 ILE 3 7.307 5.878 3.153 27 HG22 ILE 3 HG22 ILE 3 8.648 5.003 2.427 28 HG23 ILE 3 HG23 ILE 3 7.172 5.284 1.501 29 HD11 ILE 3 HD11 ILE 3 10.675 7.292 4.329 30 HD12 ILE 3 HD12 ILE 3 11.081 6.802 2.690 31 HD13 ILE 3 HD13 ILE 3 9.928 5.857 3.631 32 H ASN 4 H ASN 4 9.645 4.442 -0.285 33 HA ASN 4 HA ASN 4 8.451 4.848 -2.835 34 HB2 ASN 4 HB2 ASN 4 10.278 3.121 -2.174 35 HB3 ASN 4 HB3 ASN 4 8.921 2.129 -1.639 36 HD21 ASN 4 HD21 ASN 4 8.764 4.306 -4.506 37 HD22 ASN 4 HD22 ASN 4 8.655 3.043 -5.611 38 H ASN 5 H ASN 5 6.411 4.579 -3.436 39 HA ASN 5 HA ASN 5 4.401 4.713 -1.602 40 HB2 ASN 5 HB2 ASN 5 4.032 3.760 -4.443 41 HB3 ASN 5 HB3 ASN 5 2.785 4.412 -3.390 42 HD21 ASN 5 HD21 ASN 5 3.510 6.696 -2.391 43 HD22 ASN 5 HD22 ASN 5 4.173 7.767 -3.526 44 H LEU 6 H LEU 6 2.532 3.344 -1.255 45 HA LEU 6 HA LEU 6 3.161 0.751 -0.262 46 HB2 LEU 6 HB2 LEU 6 1.202 2.264 0.398 47 HB3 LEU 6 HB3 LEU 6 0.428 1.777 -1.092 48 HG LEU 6 HG LEU 6 -0.439 0.429 0.709 49 HD11 LEU 6 HD11 LEU 6 0.197 -0.685 -1.570 50 HD12 LEU 6 HD12 LEU 6 -0.231 -1.687 -0.189 51 HD13 LEU 6 HD13 LEU 6 1.455 -1.483 -0.615 52 HD21 LEU 6 HD21 LEU 6 1.493 0.715 2.237 53 HD22 LEU 6 HD22 LEU 6 2.414 -0.452 1.281 54 HD23 LEU 6 HD23 LEU 6 0.946 -0.950 2.132 55 H LYS 7 H LYS 7 1.458 1.839 -3.130 56 HA LYS 7 HA LYS 7 1.090 -0.672 -4.364 57 HB2 LYS 7 HB2 LYS 7 0.951 0.747 -6.492 58 HB3 LYS 7 HB3 LYS 7 -0.227 1.081 -5.235 59 HG2 LYS 7 HG2 LYS 7 1.433 2.911 -4.387 60 HG3 LYS 7 HG3 LYS 7 2.249 2.655 -5.924 61 HD2 LYS 7 HD2 LYS 7 0.366 3.329 -7.170 62 HD3 LYS 7 HD3 LYS 7 -0.681 3.270 -5.745 63 HE2 LYS 7 HE2 LYS 7 1.026 4.998 -4.757 64 HE3 LYS 7 HE3 LYS 7 1.421 5.335 -6.433 65 HZ1 LYS 7 HZ1 LYS 7 -0.376 6.806 -5.806 66 HZ2 LYS 7 HZ2 LYS 7 -1.079 5.555 -4.974 67 HZ3 LYS 7 HZ3 LYS 7 -1.216 5.581 -6.642 68 H LEU 8 H LEU 8 3.706 1.693 -4.591 69 HA LEU 8 HA LEU 8 5.261 0.311 -6.530 70 HB2 LEU 8 HB2 LEU 8 5.858 2.429 -4.486 71 HB3 LEU 8 HB3 LEU 8 7.173 1.565 -5.254 72 HG LEU 8 HG LEU 8 6.520 3.695 -6.376 73 HD11 LEU 8 HD11 LEU 8 7.092 1.110 -7.526 74 HD12 LEU 8 HD12 LEU 8 7.614 2.707 -8.054 75 HD13 LEU 8 HD13 LEU 8 6.092 2.044 -8.635 76 HD21 LEU 8 HD21 LEU 8 4.543 3.313 -8.036 77 HD22 LEU 8 HD22 LEU 8 4.151 3.813 -6.408 78 HD23 LEU 8 HD23 LEU 8 3.978 2.113 -6.921 79 H ILE 9 H ILE 9 5.287 0.279 -2.986 80 HA ILE 9 HA ILE 9 7.433 -1.537 -2.719 81 HB ILE 9 HB ILE 9 5.114 -0.924 -0.866 82 HG12 ILE 9 HG12 ILE 9 6.667 0.977 -1.282 83 HG13 ILE 9 HG13 ILE 9 6.848 0.367 0.359 84 HG21 ILE 9 HG21 ILE 9 7.594 -2.600 -0.406 85 HG22 ILE 9 HG22 ILE 9 5.907 -3.095 -0.229 86 HG23 ILE 9 HG23 ILE 9 6.607 -1.920 0.883 87 HD11 ILE 9 HD11 ILE 9 8.696 0.089 -1.967 88 HD12 ILE 9 HD12 ILE 9 8.685 -1.179 -0.743 89 HD13 ILE 9 HD13 ILE 9 9.064 0.473 -0.282 90 H ARG 10 H ARG 10 3.982 -1.951 -2.908 91 HA ARG 10 HA ARG 10 3.794 -4.669 -2.397 92 HB2 ARG 10 HB2 ARG 10 1.778 -3.503 -2.516 93 HB3 ARG 10 HB3 ARG 10 2.159 -2.720 -4.007 94 HG2 ARG 10 HG2 ARG 10 2.206 -5.549 -4.552 95 HG3 ARG 10 HG3 ARG 10 0.786 -5.245 -3.613 96 HD2 ARG 10 HD2 ARG 10 0.629 -5.005 -6.164 97 HD3 ARG 10 HD3 ARG 10 -0.153 -3.784 -5.177 98 HE ARG 10 HE ARG 10 2.341 -2.698 -5.637 99 HH11 ARG 10 HH11 ARG 10 -0.043 -4.139 -7.723 100 HH12 ARG 10 HH12 ARG 10 0.339 -3.142 -9.040 101 HH21 ARG 10 HH21 ARG 10 2.837 -1.374 -7.355 102 HH22 ARG 10 HH22 ARG 10 2.022 -1.543 -8.842 103 H GLU 11 H GLU 11 4.382 -3.046 -5.520 104 HA GLU 11 HA GLU 11 4.507 -5.535 -6.888 105 HB2 GLU 11 HB2 GLU 11 5.514 -4.188 -8.771 106 HB3 GLU 11 HB3 GLU 11 3.866 -3.781 -8.307 107 HG2 GLU 11 HG2 GLU 11 4.755 -1.879 -6.956 108 HG3 GLU 11 HG3 GLU 11 6.385 -2.308 -7.443 109 H LYS 12 H LYS 12 6.914 -3.729 -5.168 110 HA LYS 12 HA LYS 12 9.215 -4.807 -6.456 111 HB2 LYS 12 HB2 LYS 12 8.956 -4.100 -3.484 112 HB3 LYS 12 HB3 LYS 12 10.441 -4.315 -4.406 113 HG2 LYS 12 HG2 LYS 12 8.387 -2.191 -4.979 114 HG3 LYS 12 HG3 LYS 12 9.870 -1.949 -4.073 115 HD2 LYS 12 HD2 LYS 12 11.230 -2.463 -5.995 116 HD3 LYS 12 HD3 LYS 12 9.846 -3.010 -6.918 117 HE2 LYS 12 HE2 LYS 12 10.534 -0.798 -7.545 118 HE3 LYS 12 HE3 LYS 12 8.879 -0.757 -6.929 119 HZ1 LYS 12 HZ1 LYS 12 11.214 -0.215 -5.158 120 HZ2 LYS 12 HZ2 LYS 12 9.627 0.341 -4.929 121 HZ3 LYS 12 HZ3 LYS 12 10.593 0.977 -6.139 122 H LYS 13 H LYS 13 7.194 -5.976 -3.867 123 HA LYS 13 HA LYS 13 8.709 -8.459 -3.732 124 HB2 LYS 13 HB2 LYS 13 7.130 -9.082 -1.937 125 HB3 LYS 13 HB3 LYS 13 8.009 -7.587 -1.603 126 HG2 LYS 13 HG2 LYS 13 6.042 -6.271 -2.339 127 HG3 LYS 13 HG3 LYS 13 5.156 -7.736 -2.697 128 HD2 LYS 13 HD2 LYS 13 4.385 -7.489 -0.595 129 HD3 LYS 13 HD3 LYS 13 5.895 -8.243 -0.107 130 HE2 LYS 13 HE2 LYS 13 6.303 -5.349 -0.500 131 HE3 LYS 13 HE3 LYS 13 4.969 -5.665 0.562 132 HZ1 LYS 13 HZ1 LYS 13 7.727 -6.699 0.886 133 HZ2 LYS 13 HZ2 LYS 13 6.455 -7.113 1.940 134 HZ3 LYS 13 HZ3 LYS 13 6.953 -5.507 1.762 135 H LYS 14 H LYS 14 6.720 -7.338 -5.886 136 HA LYS 14 HA LYS 14 5.507 -8.233 -7.553 137 HB2 LYS 14 HB2 LYS 14 6.159 -11.030 -6.700 138 HB3 LYS 14 HB3 LYS 14 6.065 -10.352 -8.318 139 HG2 LYS 14 HG2 LYS 14 8.297 -9.924 -6.282 140 HG3 LYS 14 HG3 LYS 14 8.373 -10.767 -7.819 141 HD2 LYS 14 HD2 LYS 14 7.646 -8.415 -8.866 142 HD3 LYS 14 HD3 LYS 14 8.143 -7.823 -7.307 143 HE2 LYS 14 HE2 LYS 14 9.909 -7.867 -9.174 144 HE3 LYS 14 HE3 LYS 14 10.384 -8.400 -7.575 145 HZ1 LYS 14 HZ1 LYS 14 10.960 -9.827 -9.597 146 HZ2 LYS 14 HZ2 LYS 14 9.353 -10.331 -9.575 147 HZ3 LYS 14 HZ3 LYS 14 10.370 -10.615 -8.235 148 H ILE 15 H ILE 15 4.313 -7.963 -4.819 149 HA ILE 15 HA ILE 15 2.222 -9.979 -4.848 150 HB ILE 15 HB ILE 15 2.949 -7.734 -2.977 151 HG12 ILE 15 HG12 ILE 15 2.524 -9.562 -1.309 152 HG13 ILE 15 HG13 ILE 15 2.100 -10.623 -2.644 153 HG21 ILE 15 HG21 ILE 15 0.784 -8.089 -1.785 154 HG22 ILE 15 HG22 ILE 15 0.243 -9.003 -3.176 155 HG23 ILE 15 HG23 ILE 15 0.580 -7.277 -3.346 156 HD11 ILE 15 HD11 ILE 15 4.605 -9.605 -3.383 157 HD12 ILE 15 HD12 ILE 15 4.267 -11.198 -2.728 158 HD13 ILE 15 HD13 ILE 15 4.747 -9.893 -1.653 159 H SER 16 H SER 16 0.174 -9.707 -5.663 160 HA SER 16 HA SER 16 -0.113 -7.501 -7.503 161 HB2 SER 16 HB2 SER 16 -2.260 -9.531 -7.033 162 HB3 SER 16 HB3 SER 16 -1.771 -8.737 -8.507 163 HG SER 16 HG SER 16 -0.626 -10.833 -7.089 164 H GLN 17 H GLN 17 -2.152 -6.251 -7.627 165 HA GLN 17 HA GLN 17 -2.798 -4.959 -5.200 166 HB2 GLN 17 HB2 GLN 17 -4.306 -5.079 -7.835 167 HB3 GLN 17 HB3 GLN 17 -4.757 -4.038 -6.491 168 HG2 GLN 17 HG2 GLN 17 -2.622 -2.904 -6.572 169 HG3 GLN 17 HG3 GLN 17 -2.050 -3.973 -7.858 170 HE21 GLN 17 HE21 GLN 17 -1.888 -1.530 -8.789 171 HE22 GLN 17 HE22 GLN 17 -3.236 -1.060 -9.702 172 H SER 18 H SER 18 -4.287 -7.586 -6.985 173 HA SER 18 HA SER 18 -6.657 -7.889 -5.609 174 HB2 SER 18 HB2 SER 18 -4.904 -10.120 -6.658 175 HB3 SER 18 HB3 SER 18 -6.629 -10.189 -6.371 176 HG SER 18 HG SER 18 -5.951 -9.732 -8.584 177 H GLU 19 H GLU 19 -3.417 -9.064 -4.754 178 HA GLU 19 HA GLU 19 -4.153 -10.628 -2.533 179 HB2 GLU 19 HB2 GLU 19 -1.665 -9.263 -3.415 180 HB3 GLU 19 HB3 GLU 19 -1.698 -10.028 -1.826 181 HG2 GLU 19 HG2 GLU 19 -0.894 -11.737 -3.178 182 HG3 GLU 19 HG3 GLU 19 -2.611 -12.110 -3.165 183 H LEU 20 H LEU 20 -2.895 -7.306 -2.642 184 HA LEU 20 HA LEU 20 -3.379 -7.034 0.185 185 HB2 LEU 20 HB2 LEU 20 -2.575 -4.675 -0.098 186 HB3 LEU 20 HB3 LEU 20 -1.425 -5.926 -0.506 187 HG LEU 20 HG LEU 20 -2.117 -5.606 -2.976 188 HD11 LEU 20 HD11 LEU 20 -3.958 -4.388 -3.308 189 HD12 LEU 20 HD12 LEU 20 -2.978 -2.981 -2.944 190 HD13 LEU 20 HD13 LEU 20 -3.959 -3.705 -1.681 191 HD21 LEU 20 HD21 LEU 20 -1.011 -3.187 -1.542 192 HD22 LEU 20 HD22 LEU 20 -0.782 -3.573 -3.238 193 HD23 LEU 20 HD23 LEU 20 -0.061 -4.596 -1.998 194 H ALA 21 H ALA 21 -4.864 -5.719 -2.679 195 HA ALA 21 HA ALA 21 -6.287 -3.714 -1.390 196 HB1 ALA 21 HB1 ALA 21 -5.825 -3.573 -3.739 197 HB2 ALA 21 HB2 ALA 21 -7.547 -3.452 -3.485 198 HB3 ALA 21 HB3 ALA 21 -6.840 -4.970 -4.073 199 H ALA 22 H ALA 22 -7.359 -6.983 -1.989 200 HA ALA 22 HA ALA 22 -10.113 -6.493 -1.637 201 HB1 ALA 22 HB1 ALA 22 -8.819 -9.107 -0.879 202 HB2 ALA 22 HB2 ALA 22 -9.028 -8.623 -2.564 203 HB3 ALA 22 HB3 ALA 22 -10.430 -8.822 -1.524 204 H LEU 23 H LEU 23 -7.647 -7.238 0.706 205 HA LEU 23 HA LEU 23 -9.342 -7.935 2.809 206 HB2 LEU 23 HB2 LEU 23 -6.434 -7.305 2.647 207 HB3 LEU 23 HB3 LEU 23 -7.189 -7.431 4.223 208 HG LEU 23 HG LEU 23 -6.218 -9.615 3.242 209 HD11 LEU 23 HD11 LEU 23 -9.136 -9.722 4.005 210 HD12 LEU 23 HD12 LEU 23 -7.840 -9.414 5.153 211 HD13 LEU 23 HD13 LEU 23 -7.882 -10.935 4.268 212 HD21 LEU 23 HD21 LEU 23 -7.116 -9.370 0.953 213 HD22 LEU 23 HD22 LEU 23 -8.773 -9.439 1.570 214 HD23 LEU 23 HD23 LEU 23 -7.726 -10.832 1.721 215 H LEU 24 H LEU 24 -8.311 -4.764 1.963 216 HA LEU 24 HA LEU 24 -8.433 -3.621 4.525 217 HB2 LEU 24 HB2 LEU 24 -8.996 -1.471 2.905 218 HB3 LEU 24 HB3 LEU 24 -7.391 -2.045 3.346 219 HG LEU 24 HG LEU 24 -8.889 -3.145 0.943 220 HD11 LEU 24 HD11 LEU 24 -6.725 -1.367 0.325 221 HD12 LEU 24 HD12 LEU 24 -7.990 -0.503 1.206 222 HD13 LEU 24 HD13 LEU 24 -8.376 -1.395 -0.279 223 HD21 LEU 24 HD21 LEU 24 -6.029 -3.071 0.744 224 HD22 LEU 24 HD22 LEU 24 -7.115 -4.442 0.772 225 HD23 LEU 24 HD23 LEU 24 -6.449 -3.826 2.281 226 H GLU 25 H GLU 25 -11.028 -4.956 3.274 227 HA GLU 25 HA GLU 25 -13.289 -4.764 3.719 228 HB2 GLU 25 HB2 GLU 25 -12.220 -2.934 5.897 229 HB3 GLU 25 HB3 GLU 25 -13.862 -3.518 5.767 230 HG2 GLU 25 HG2 GLU 25 -13.232 -5.793 6.001 231 HG3 GLU 25 HG3 GLU 25 -11.521 -5.425 5.845 232 H VAL 26 H VAL 26 -11.902 -2.817 1.920 233 HA VAL 26 HA VAL 26 -14.171 -0.954 1.669 234 HB VAL 26 HB VAL 26 -12.674 0.741 0.721 235 HG11 VAL 26 HG11 VAL 26 -11.611 -0.140 3.418 236 HG12 VAL 26 HG12 VAL 26 -13.082 0.808 3.173 237 HG13 VAL 26 HG13 VAL 26 -11.514 1.463 2.702 238 HG21 VAL 26 HG21 VAL 26 -10.893 -0.619 -0.216 239 HG22 VAL 26 HG22 VAL 26 -10.478 -1.260 1.375 240 HG23 VAL 26 HG23 VAL 26 -10.171 0.432 0.986 241 H SER 27 H SER 27 -14.475 -0.415 -0.693 242 HA SER 27 HA SER 27 -14.395 -2.815 -2.134 243 HB2 SER 27 HB2 SER 27 -14.626 -0.998 -4.142 244 HB3 SER 27 HB3 SER 27 -15.957 -1.531 -3.142 245 HG SER 27 HG SER 27 -14.288 0.755 -2.839 246 H ARG 28 H ARG 28 -12.895 -3.746 -3.315 247 HA ARG 28 HA ARG 28 -10.211 -3.074 -3.033 248 HB2 ARG 28 HB2 ARG 28 -11.218 -5.311 -3.626 249 HB3 ARG 28 HB3 ARG 28 -11.307 -4.759 -5.318 250 HG2 ARG 28 HG2 ARG 28 -8.793 -4.288 -5.135 251 HG3 ARG 28 HG3 ARG 28 -8.929 -5.024 -3.530 252 HD2 ARG 28 HD2 ARG 28 -8.152 -6.729 -5.001 253 HD3 ARG 28 HD3 ARG 28 -9.820 -7.104 -4.581 254 HE ARG 28 HE ARG 28 -9.625 -5.556 -6.999 255 HH11 ARG 28 HH11 ARG 28 -9.455 -8.780 -5.657 256 HH12 ARG 28 HH12 ARG 28 -9.606 -9.565 -7.161 257 HH21 ARG 28 HH21 ARG 28 -9.800 -6.610 -9.026 258 HH22 ARG 28 HH22 ARG 28 -9.808 -8.315 -9.102 259 H GLN 29 H GLN 29 -12.435 -2.587 -5.680 260 HA GLN 29 HA GLN 29 -10.727 -1.497 -7.592 261 HB2 GLN 29 HB2 GLN 29 -12.814 -0.199 -8.334 262 HB3 GLN 29 HB3 GLN 29 -12.922 -1.950 -8.341 263 HG2 GLN 29 HG2 GLN 29 -14.101 -1.943 -6.198 264 HG3 GLN 29 HG3 GLN 29 -13.870 -0.200 -6.036 265 HE21 GLN 29 HE21 GLN 29 -16.212 0.188 -6.008 266 HE22 GLN 29 HE22 GLN 29 -17.138 0.000 -7.407 267 H THR 30 H THR 30 -12.467 0.117 -4.946 268 HA THR 30 HA THR 30 -11.808 2.717 -5.691 269 HB THR 30 HB THR 30 -12.199 2.968 -3.027 270 HG1 THR 30 HG1 THR 30 -12.292 0.580 -2.890 271 HG21 THR 30 HG21 THR 30 -14.255 2.462 -5.202 272 HG22 THR 30 HG22 THR 30 -13.560 4.013 -4.727 273 HG23 THR 30 HG23 THR 30 -14.614 3.148 -3.615 274 H ILE 31 H ILE 31 -10.115 0.578 -3.358 275 HA ILE 31 HA ILE 31 -8.214 2.574 -2.695 276 HB ILE 31 HB ILE 31 -8.576 0.518 -1.340 277 HG12 ILE 31 HG12 ILE 31 -6.130 0.099 -0.906 278 HG13 ILE 31 HG13 ILE 31 -5.743 1.001 -2.351 279 HG21 ILE 31 HG21 ILE 31 -7.278 -1.534 -2.124 280 HG22 ILE 31 HG22 ILE 31 -7.276 -0.847 -3.732 281 HG23 ILE 31 HG23 ILE 31 -8.798 -1.214 -2.924 282 HD11 ILE 31 HD11 ILE 31 -6.052 2.097 0.187 283 HD12 ILE 31 HD12 ILE 31 -7.572 2.493 -0.603 284 HD13 ILE 31 HD13 ILE 31 -6.046 2.991 -1.323 285 H ASN 32 H ASN 32 -8.299 0.067 -5.117 286 HA ASN 32 HA ASN 32 -5.716 0.546 -6.193 287 HB2 ASN 32 HB2 ASN 32 -6.298 -1.297 -7.317 288 HB3 ASN 32 HB3 ASN 32 -7.967 -1.153 -6.794 289 HD21 ASN 32 HD21 ASN 32 -9.383 0.265 -8.164 290 HD22 ASN 32 HD22 ASN 32 -9.013 0.430 -9.795 291 H GLY 33 H GLY 33 -8.943 1.806 -6.958 292 HA2 GLY 33 HA2 GLY 33 -8.124 3.474 -9.088 293 HA3 GLY 33 HA3 GLY 33 -9.602 3.625 -8.142 294 H ILE 34 H ILE 34 -8.621 4.012 -5.609 295 HA ILE 34 HA ILE 34 -7.961 6.725 -5.730 296 HB ILE 34 HB ILE 34 -8.565 4.804 -3.576 297 HG12 ILE 34 HG12 ILE 34 -9.962 6.804 -2.869 298 HG13 ILE 34 HG13 ILE 34 -9.276 7.643 -4.277 299 HG21 ILE 34 HG21 ILE 34 -6.933 7.275 -2.996 300 HG22 ILE 34 HG22 ILE 34 -6.572 5.580 -2.594 301 HG23 ILE 34 HG23 ILE 34 -7.903 6.391 -1.811 302 HD11 ILE 34 HD11 ILE 34 -11.321 6.798 -5.067 303 HD12 ILE 34 HD12 ILE 34 -11.113 5.246 -4.264 304 HD13 ILE 34 HD13 ILE 34 -10.141 5.670 -5.683 305 H GLU 35 H GLU 35 -5.963 3.928 -4.974 306 HA GLU 35 HA GLU 35 -3.569 5.410 -4.597 307 HB2 GLU 35 HB2 GLU 35 -4.257 2.581 -5.249 308 HB3 GLU 35 HB3 GLU 35 -2.644 3.127 -5.691 309 HG2 GLU 35 HG2 GLU 35 -3.683 3.791 -2.971 310 HG3 GLU 35 HG3 GLU 35 -3.096 2.164 -3.239 311 H LYS 36 H LYS 36 -5.625 4.923 -7.211 312 HA LYS 36 HA LYS 36 -3.602 5.506 -9.200 313 HB2 LYS 36 HB2 LYS 36 -5.875 3.960 -9.379 314 HB3 LYS 36 HB3 LYS 36 -6.373 5.459 -10.144 315 HG2 LYS 36 HG2 LYS 36 -4.503 5.423 -11.643 316 HG3 LYS 36 HG3 LYS 36 -3.783 4.046 -10.824 317 HD2 LYS 36 HD2 LYS 36 -4.898 3.186 -12.806 318 HD3 LYS 36 HD3 LYS 36 -5.859 2.692 -11.422 319 HE2 LYS 36 HE2 LYS 36 -7.376 4.642 -11.810 320 HE3 LYS 36 HE3 LYS 36 -6.427 5.083 -13.225 321 HZ1 LYS 36 HZ1 LYS 36 -7.390 3.439 -14.435 322 HZ2 LYS 36 HZ2 LYS 36 -8.546 3.531 -13.237 323 HZ3 LYS 36 HZ3 LYS 36 -7.393 2.327 -13.147 324 H ASN 37 H ASN 37 -3.609 7.456 -7.503 325 HA ASN 37 HA ASN 37 -3.098 9.598 -8.146 326 HB2 ASN 37 HB2 ASN 37 -4.341 9.284 -10.342 327 HB3 ASN 37 HB3 ASN 37 -5.723 9.989 -9.448 328 HD21 ASN 37 HD21 ASN 37 -5.738 12.035 -10.584 329 HD22 ASN 37 HD22 ASN 37 -4.461 13.140 -10.472 330 H LYS 38 H LYS 38 -5.311 8.430 -6.049 331 HA LYS 38 HA LYS 38 -6.179 11.159 -5.218 332 HB2 LYS 38 HB2 LYS 38 -7.444 8.470 -4.845 333 HB3 LYS 38 HB3 LYS 38 -7.713 9.731 -3.656 334 HG2 LYS 38 HG2 LYS 38 -9.360 10.483 -4.996 335 HG3 LYS 38 HG3 LYS 38 -8.101 11.126 -6.025 336 HD2 LYS 38 HD2 LYS 38 -8.051 9.000 -7.290 337 HD3 LYS 38 HD3 LYS 38 -9.381 8.373 -6.317 338 HE2 LYS 38 HE2 LYS 38 -9.474 10.858 -8.067 339 HE3 LYS 38 HE3 LYS 38 -10.185 9.302 -8.447 340 HZ1 LYS 38 HZ1 LYS 38 -11.164 9.920 -5.924 341 HZ2 LYS 38 HZ2 LYS 38 -11.984 9.966 -7.386 342 HZ3 LYS 38 HZ3 LYS 38 -11.250 11.366 -6.802 343 H TYR 39 H TYR 39 -5.233 8.074 -3.727 344 HA TYR 39 HA TYR 39 -3.078 9.181 -2.430 345 HB2 TYR 39 HB2 TYR 39 -3.840 9.163 -0.045 346 HB3 TYR 39 HB3 TYR 39 -4.540 10.449 -0.991 347 HD1 TYR 39 HD1 TYR 39 -6.943 10.352 -1.677 348 HD2 TYR 39 HD2 TYR 39 -5.198 7.317 0.812 349 HE1 TYR 39 HE1 TYR 39 -9.200 9.569 -1.034 350 HE2 TYR 39 HE2 TYR 39 -7.429 6.533 1.445 351 HH TYR 39 HH TYR 39 -9.643 7.284 1.542 352 H ASN 40 H ASN 40 -2.019 7.711 -0.956 353 HA ASN 40 HA ASN 40 -2.463 4.924 -1.661 354 HB2 ASN 40 HB2 ASN 40 -0.580 4.567 0.005 355 HB3 ASN 40 HB3 ASN 40 -0.152 5.518 -1.404 356 HD21 ASN 40 HD21 ASN 40 -2.135 6.903 1.234 357 HD22 ASN 40 HD22 ASN 40 -0.918 7.944 1.795 358 HA PRO 41 HA PRO 41 -4.938 3.672 1.753 359 HB2 PRO 41 HB2 PRO 41 -2.610 2.027 2.663 360 HB3 PRO 41 HB3 PRO 41 -4.324 1.593 2.562 361 HG2 PRO 41 HG2 PRO 41 -2.627 0.795 0.725 362 HG3 PRO 41 HG3 PRO 41 -4.286 1.260 0.316 363 HD2 PRO 41 HD2 PRO 41 -1.760 2.699 -0.354 364 HD3 PRO 41 HD3 PRO 41 -3.370 2.855 -1.072 365 H SER 42 H SER 42 -5.278 4.766 3.650 366 HA SER 42 HA SER 42 -3.460 6.524 4.827 367 HB2 SER 42 HB2 SER 42 -5.745 5.143 6.233 368 HB3 SER 42 HB3 SER 42 -5.129 6.749 6.530 369 HG SER 42 HG SER 42 -6.014 7.437 4.643 370 H LEU 43 H LEU 43 -2.204 6.235 6.828 371 HA LEU 43 HA LEU 43 -0.986 3.735 6.886 372 HB2 LEU 43 HB2 LEU 43 -0.884 5.902 8.991 373 HB3 LEU 43 HB3 LEU 43 0.071 4.431 9.070 374 HG LEU 43 HG LEU 43 0.158 6.440 6.787 375 HD11 LEU 43 HD11 LEU 43 2.152 7.244 7.630 376 HD12 LEU 43 HD12 LEU 43 2.435 5.798 8.593 377 HD13 LEU 43 HD13 LEU 43 1.230 6.979 9.116 378 HD21 LEU 43 HD21 LEU 43 2.348 4.922 6.441 379 HD22 LEU 43 HD22 LEU 43 0.805 4.507 5.707 380 HD23 LEU 43 HD23 LEU 43 1.323 3.704 7.192 381 H GLN 44 H GLN 44 -3.575 4.988 8.855 382 HA GLN 44 HA GLN 44 -3.797 2.826 10.670 383 HB2 GLN 44 HB2 GLN 44 -5.953 4.555 9.412 384 HB3 GLN 44 HB3 GLN 44 -6.224 3.451 10.751 385 HG2 GLN 44 HG2 GLN 44 -4.607 4.657 12.144 386 HG3 GLN 44 HG3 GLN 44 -4.230 5.729 10.800 387 HE21 GLN 44 HE21 GLN 44 -6.152 5.484 13.544 388 HE22 GLN 44 HE22 GLN 44 -7.316 6.651 13.144 389 H LEU 45 H LEU 45 -5.088 3.355 7.439 390 HA LEU 45 HA LEU 45 -6.331 0.815 7.078 391 HB2 LEU 45 HB2 LEU 45 -6.947 2.669 5.635 392 HB3 LEU 45 HB3 LEU 45 -5.291 2.858 5.086 393 HG LEU 45 HG LEU 45 -5.361 0.628 4.023 394 HD11 LEU 45 HD11 LEU 45 -7.806 0.434 5.618 395 HD12 LEU 45 HD12 LEU 45 -6.694 -0.800 4.995 396 HD13 LEU 45 HD13 LEU 45 -7.943 -0.112 3.936 397 HD21 LEU 45 HD21 LEU 45 -7.924 1.924 3.156 398 HD22 LEU 45 HD22 LEU 45 -6.618 1.281 2.174 399 HD23 LEU 45 HD23 LEU 45 -6.438 2.842 2.978 400 H ALA 46 H ALA 46 -3.216 2.167 6.216 401 HA ALA 46 HA ALA 46 -2.270 -0.068 4.887 402 HB1 ALA 46 HB1 ALA 46 -0.453 1.890 6.244 403 HB2 ALA 46 HB2 ALA 46 -1.373 2.277 4.774 404 HB3 ALA 46 HB3 ALA 46 -0.181 0.966 4.758 405 H LEU 47 H LEU 47 -2.281 0.729 8.264 406 HA LEU 47 HA LEU 47 -0.321 -1.087 9.162 407 HB2 LEU 47 HB2 LEU 47 -2.855 -0.032 10.429 408 HB3 LEU 47 HB3 LEU 47 -1.835 -1.188 11.265 409 HG LEU 47 HG LEU 47 -0.713 1.415 10.162 410 HD11 LEU 47 HD11 LEU 47 -2.610 1.692 11.911 411 HD12 LEU 47 HD12 LEU 47 -1.049 2.429 12.268 412 HD13 LEU 47 HD13 LEU 47 -1.493 0.907 13.030 413 HD21 LEU 47 HD21 LEU 47 1.089 0.933 11.704 414 HD22 LEU 47 HD22 LEU 47 0.821 -0.545 10.769 415 HD23 LEU 47 HD23 LEU 47 0.183 -0.395 12.407 416 H LYS 48 H LYS 48 -3.778 -1.452 8.526 417 HA LYS 48 HA LYS 48 -3.792 -4.238 9.159 418 HB2 LYS 48 HB2 LYS 48 -5.848 -2.832 9.271 419 HB3 LYS 48 HB3 LYS 48 -5.831 -2.720 7.512 420 HG2 LYS 48 HG2 LYS 48 -6.043 -5.145 7.296 421 HG3 LYS 48 HG3 LYS 48 -5.906 -5.340 9.044 422 HD2 LYS 48 HD2 LYS 48 -7.987 -4.034 9.335 423 HD3 LYS 48 HD3 LYS 48 -8.142 -3.901 7.581 424 HE2 LYS 48 HE2 LYS 48 -8.317 -6.327 7.358 425 HE3 LYS 48 HE3 LYS 48 -8.001 -6.542 9.074 426 HZ1 LYS 48 HZ1 LYS 48 -10.331 -4.870 8.275 427 HZ2 LYS 48 HZ2 LYS 48 -10.037 -5.824 9.645 428 HZ3 LYS 48 HZ3 LYS 48 -10.375 -6.576 8.203 429 H ILE 49 H ILE 49 -3.576 -2.404 6.129 430 HA ILE 49 HA ILE 49 -3.593 -4.713 4.487 431 HB ILE 49 HB ILE 49 -3.964 -2.169 3.826 432 HG12 ILE 49 HG12 ILE 49 -2.598 -4.212 2.041 433 HG13 ILE 49 HG13 ILE 49 -4.331 -4.080 2.321 434 HG21 ILE 49 HG21 ILE 49 -2.133 -1.004 3.000 435 HG22 ILE 49 HG22 ILE 49 -1.204 -2.458 2.720 436 HG23 ILE 49 HG23 ILE 49 -1.339 -1.824 4.351 437 HD11 ILE 49 HD11 ILE 49 -4.047 -1.626 1.467 438 HD12 ILE 49 HD12 ILE 49 -4.046 -2.947 0.302 439 HD13 ILE 49 HD13 ILE 49 -2.521 -2.218 0.801 440 H ALA 50 H ALA 50 -0.997 -2.928 6.035 441 HA ALA 50 HA ALA 50 1.207 -3.733 4.675 442 HB1 ALA 50 HB1 ALA 50 0.748 -3.137 7.572 443 HB2 ALA 50 HB2 ALA 50 1.731 -2.293 6.381 444 HB3 ALA 50 HB3 ALA 50 2.306 -3.798 7.080 445 H TYR 51 H TYR 51 -0.398 -5.601 7.216 446 HA TYR 51 HA TYR 51 1.385 -7.801 7.205 447 HB2 TYR 51 HB2 TYR 51 -1.493 -7.484 8.032 448 HB3 TYR 51 HB3 TYR 51 -0.766 -9.079 7.971 449 HD1 TYR 51 HD1 TYR 51 1.074 -9.713 9.442 450 HD2 TYR 51 HD2 TYR 51 -0.695 -5.794 9.666 451 HE1 TYR 51 HE1 TYR 51 2.165 -9.345 11.609 452 HE2 TYR 51 HE2 TYR 51 0.409 -5.434 11.846 453 HH TYR 51 HH TYR 51 2.889 -6.946 12.856 454 H TYR 52 H TYR 52 -1.605 -7.238 5.410 455 HA TYR 52 HA TYR 52 -1.474 -9.673 3.926 456 HB2 TYR 52 HB2 TYR 52 -2.911 -7.072 3.311 457 HB3 TYR 52 HB3 TYR 52 -3.130 -8.585 2.443 458 HD1 TYR 52 HD1 TYR 52 -3.720 -10.715 3.830 459 HD2 TYR 52 HD2 TYR 52 -4.217 -6.694 5.285 460 HE1 TYR 52 HE1 TYR 52 -5.280 -11.519 5.543 461 HE2 TYR 52 HE2 TYR 52 -5.801 -7.512 6.996 462 HH TYR 52 HH TYR 52 -6.138 -10.847 7.681 463 H LEU 53 H LEU 53 -0.240 -6.458 3.535 464 HA LEU 53 HA LEU 53 0.681 -6.960 0.898 465 HB2 LEU 53 HB2 LEU 53 0.095 -4.665 2.097 466 HB3 LEU 53 HB3 LEU 53 1.801 -4.693 2.503 467 HG LEU 53 HG LEU 53 0.592 -3.865 0.054 468 HD11 LEU 53 HD11 LEU 53 3.472 -4.230 0.855 469 HD12 LEU 53 HD12 LEU 53 2.488 -2.778 1.036 470 HD13 LEU 53 HD13 LEU 53 2.948 -3.330 -0.563 471 HD21 LEU 53 HD21 LEU 53 0.666 -6.147 -0.844 472 HD22 LEU 53 HD22 LEU 53 2.331 -6.378 -0.335 473 HD23 LEU 53 HD23 LEU 53 1.959 -5.244 -1.580 474 H ASN 54 H ASN 54 1.756 -8.013 3.853 475 HA ASN 54 HA ASN 54 3.731 -8.998 4.546 476 HB2 ASN 54 HB2 ASN 54 3.965 -9.114 1.565 477 HB3 ASN 54 HB3 ASN 54 5.214 -9.757 2.596 478 HD21 ASN 54 HD21 ASN 54 2.432 -10.726 0.963 479 HD22 ASN 54 HD22 ASN 54 1.980 -12.016 1.954 480 H THR 55 H THR 55 3.705 -6.149 4.511 481 HA THR 55 HA THR 55 6.554 -5.710 4.192 482 HB THR 55 HB THR 55 4.707 -4.992 2.330 483 HG1 THR 55 HG1 THR 55 6.991 -3.421 2.344 484 HG21 THR 55 HG21 THR 55 5.499 -2.472 3.828 485 HG22 THR 55 HG22 THR 55 3.879 -3.150 3.711 486 HG23 THR 55 HG23 THR 55 4.659 -2.509 2.275 487 HA PRO 56 HA PRO 56 5.999 -3.833 8.185 488 HB2 PRO 56 HB2 PRO 56 8.342 -2.171 7.429 489 HB3 PRO 56 HB3 PRO 56 8.096 -3.195 8.858 490 HG2 PRO 56 HG2 PRO 56 9.696 -3.992 6.939 491 HG3 PRO 56 HG3 PRO 56 8.595 -5.157 7.705 492 HD2 PRO 56 HD2 PRO 56 8.348 -3.837 5.019 493 HD3 PRO 56 HD3 PRO 56 7.960 -5.503 5.527 494 H LEU 57 H LEU 57 4.900 -2.092 8.914 495 HA LEU 57 HA LEU 57 3.979 0.037 7.208 496 HB2 LEU 57 HB2 LEU 57 2.945 -0.974 9.431 497 HB3 LEU 57 HB3 LEU 57 3.979 0.201 10.220 498 HG LEU 57 HG LEU 57 1.631 1.029 9.763 499 HD11 LEU 57 HD11 LEU 57 3.636 2.697 8.289 500 HD12 LEU 57 HD12 LEU 57 3.592 2.513 10.062 501 HD13 LEU 57 HD13 LEU 57 2.220 3.184 9.213 502 HD21 LEU 57 HD21 LEU 57 0.724 1.083 7.721 503 HD22 LEU 57 HD22 LEU 57 1.934 -0.104 7.261 504 HD23 LEU 57 HD23 LEU 57 2.208 1.610 6.933 505 H GLU 58 H GLU 58 6.507 -0.344 9.592 506 HA GLU 58 HA GLU 58 7.246 2.323 9.841 507 HB2 GLU 58 HB2 GLU 58 8.891 -0.178 10.171 508 HB3 GLU 58 HB3 GLU 58 9.456 1.440 10.594 509 HG2 GLU 58 HG2 GLU 58 7.608 1.769 12.105 510 HG3 GLU 58 HG3 GLU 58 6.904 0.219 11.657 511 H ASP 59 H ASP 59 7.892 0.157 7.208 512 HA ASP 59 HA ASP 59 10.139 1.609 6.149 513 HB2 ASP 59 HB2 ASP 59 9.575 -0.709 5.413 514 HB3 ASP 59 HB3 ASP 59 8.114 -0.061 4.667 515 H ILE 60 H ILE 60 6.678 1.851 5.923 516 HA ILE 60 HA ILE 60 6.929 4.170 4.167 517 HB ILE 60 HB ILE 60 4.489 3.967 3.813 518 HG12 ILE 60 HG12 ILE 60 4.777 1.339 5.324 519 HG13 ILE 60 HG13 ILE 60 4.002 2.777 6.005 520 HG21 ILE 60 HG21 ILE 60 6.326 2.793 2.442 521 HG22 ILE 60 HG22 ILE 60 4.688 2.169 2.260 522 HG23 ILE 60 HG23 ILE 60 5.846 1.318 3.280 523 HD11 ILE 60 HD11 ILE 60 3.009 1.950 3.331 524 HD12 ILE 60 HD12 ILE 60 2.125 2.498 4.756 525 HD13 ILE 60 HD13 ILE 60 2.681 0.829 4.641 526 H PHE 61 H PHE 61 6.141 3.317 7.383 527 HA PHE 61 HA PHE 61 4.595 5.487 8.227 528 HB2 PHE 61 HB2 PHE 61 5.215 3.466 9.654 529 HB3 PHE 61 HB3 PHE 61 6.804 4.187 9.798 530 HD1 PHE 61 HD1 PHE 61 3.197 4.962 10.441 531 HD2 PHE 61 HD2 PHE 61 7.299 5.772 11.454 532 HE1 PHE 61 HE1 PHE 61 2.458 6.362 12.334 533 HE2 PHE 61 HE2 PHE 61 6.557 7.171 13.344 534 HZ PHE 61 HZ PHE 61 4.134 7.470 13.794 535 H GLN 62 H GLN 62 8.078 5.115 8.010 536 HA GLN 62 HA GLN 62 8.972 7.465 9.181 537 HB2 GLN 62 HB2 GLN 62 10.992 7.163 7.640 538 HB3 GLN 62 HB3 GLN 62 10.595 5.810 8.686 539 HG2 GLN 62 HG2 GLN 62 9.509 4.624 6.898 540 HG3 GLN 62 HG3 GLN 62 9.564 6.023 5.838 541 HE21 GLN 62 HE21 GLN 62 10.656 3.924 4.670 542 HE22 GLN 62 HE22 GLN 62 12.354 3.912 4.743 543 H TRP 63 H TRP 63 6.941 8.643 8.124 544 HA TRP 63 HA TRP 63 7.391 9.765 5.513 545 HB2 TRP 63 HB2 TRP 63 5.246 9.729 7.307 546 HB3 TRP 63 HB3 TRP 63 5.676 11.423 7.231 547 HD1 TRP 63 HD1 TRP 63 5.470 12.648 4.861 548 HE1 TRP 63 HE1 TRP 63 4.183 12.010 2.707 549 HE3 TRP 63 HE3 TRP 63 4.479 7.752 5.846 550 HZ2 TRP 63 HZ2 TRP 63 2.905 9.718 1.569 551 HZ3 TRP 63 HZ3 TRP 63 3.226 6.362 4.222 552 HH2 TRP 63 HH2 TRP 63 2.436 7.342 2.088 553 H GLN 64 H GLN 64 9.681 10.035 6.364 554 HA GLN 64 HA GLN 64 10.804 11.669 8.068 555 HB2 GLN 64 HB2 GLN 64 11.517 12.063 5.169 556 HB3 GLN 64 HB3 GLN 64 12.575 12.146 6.578 557 HG2 GLN 64 HG2 GLN 64 11.802 9.646 6.943 558 HG3 GLN 64 HG3 GLN 64 11.398 9.718 5.237 559 HE21 GLN 64 HE21 GLN 64 13.510 11.391 4.296 560 HE22 GLN 64 HE22 GLN 64 14.970 10.556 4.512 561 HA PRO 65 HA PRO 65 8.579 15.641 7.529 562 HB2 PRO 65 HB2 PRO 65 10.512 16.365 9.684 563 HB3 PRO 65 HB3 PRO 65 8.765 16.623 9.599 564 HG2 PRO 65 HG2 PRO 65 9.732 14.744 11.179 565 HG3 PRO 65 HG3 PRO 65 8.251 14.464 10.247 566 HD2 PRO 65 HD2 PRO 65 11.000 13.396 9.729 567 HD3 PRO 65 HD3 PRO 65 9.411 12.632 9.489 568 H GLU 66 H GLU 66 9.268 17.456 6.357 569 HA GLU 66 HA GLU 66 12.150 17.585 5.753 570 HB2 GLU 66 HB2 GLU 66 9.815 17.960 3.916 571 HB3 GLU 66 HB3 GLU 66 11.424 18.510 3.496 572 HG2 GLU 66 HG2 GLU 66 12.299 16.235 3.843 573 HG3 GLU 66 HG3 GLU 66 10.693 15.654 4.248 Start of MODEL 7 1 H1 MET 1 H1 MET 1 15.008 -0.654 -5.173 2 HA MET 1 HA MET 1 13.156 -2.277 -3.588 3 HB2 MET 1 HB2 MET 1 16.009 -1.411 -3.081 4 HB3 MET 1 HB3 MET 1 15.040 -2.369 -1.962 5 HG2 MET 1 HG2 MET 1 14.756 -4.127 -3.673 6 HG3 MET 1 HG3 MET 1 15.678 -3.165 -4.815 7 HE1 MET 1 HE1 MET 1 15.433 -4.865 -1.578 8 HE2 MET 1 HE2 MET 1 16.574 -3.756 -0.796 9 HE3 MET 1 HE3 MET 1 17.034 -5.420 -1.124 10 H ILE 2 H ILE 2 13.566 0.914 -4.163 11 HA ILE 2 HA ILE 2 13.446 2.006 -1.531 12 HB ILE 2 HB ILE 2 12.821 4.091 -2.637 13 HG12 ILE 2 HG12 ILE 2 12.699 2.444 -5.207 14 HG13 ILE 2 HG13 ILE 2 11.296 3.103 -4.368 15 HG21 ILE 2 HG21 ILE 2 14.810 4.350 -4.025 16 HG22 ILE 2 HG22 ILE 2 14.929 2.612 -4.223 17 HG23 ILE 2 HG23 ILE 2 15.208 3.339 -2.636 18 HD11 ILE 2 HD11 ILE 2 11.692 4.774 -5.933 19 HD12 ILE 2 HD12 ILE 2 13.433 4.503 -5.887 20 HD13 ILE 2 HD13 ILE 2 12.643 5.373 -4.567 21 H ILE 3 H ILE 3 11.676 2.609 -0.320 22 HA ILE 3 HA ILE 3 9.388 1.075 -0.836 23 HB ILE 3 HB ILE 3 8.406 2.109 1.178 24 HG12 ILE 3 HG12 ILE 3 10.997 3.695 1.358 25 HG13 ILE 3 HG13 ILE 3 9.448 4.399 0.864 26 HG21 ILE 3 HG21 ILE 3 11.065 1.619 2.273 27 HG22 ILE 3 HG22 ILE 3 10.696 0.441 1.024 28 HG23 ILE 3 HG23 ILE 3 9.615 0.642 2.398 29 HD11 ILE 3 HD11 ILE 3 10.325 3.333 3.483 30 HD12 ILE 3 HD12 ILE 3 8.607 3.311 3.083 31 HD13 ILE 3 HD13 ILE 3 9.473 4.851 3.115 32 H ASN 4 H ASN 4 10.143 4.431 -1.015 33 HA ASN 4 HA ASN 4 9.074 6.275 -1.870 34 HB2 ASN 4 HB2 ASN 4 10.053 5.324 -3.845 35 HB3 ASN 4 HB3 ASN 4 8.670 4.259 -4.067 36 HD21 ASN 4 HD21 ASN 4 9.738 7.634 -4.308 37 HD22 ASN 4 HD22 ASN 4 8.363 8.173 -5.135 38 H ASN 5 H ASN 5 6.868 3.601 -2.718 39 HA ASN 5 HA ASN 5 4.636 5.096 -1.554 40 HB2 ASN 5 HB2 ASN 5 5.012 5.798 -3.985 41 HB3 ASN 5 HB3 ASN 5 4.450 4.193 -4.407 42 HD21 ASN 5 HD21 ASN 5 3.337 7.299 -4.031 43 HD22 ASN 5 HD22 ASN 5 1.725 6.971 -3.630 44 H LEU 6 H LEU 6 2.600 3.828 -1.700 45 HA LEU 6 HA LEU 6 2.917 1.159 -0.797 46 HB2 LEU 6 HB2 LEU 6 0.917 2.848 -0.468 47 HB3 LEU 6 HB3 LEU 6 0.373 2.207 -2.006 48 HG LEU 6 HG LEU 6 -0.699 0.984 -0.188 49 HD11 LEU 6 HD11 LEU 6 -0.427 -1.141 -1.001 50 HD12 LEU 6 HD12 LEU 6 1.307 -1.002 -1.173 51 HD13 LEU 6 HD13 LEU 6 0.239 -0.200 -2.327 52 HD21 LEU 6 HD21 LEU 6 1.462 1.409 1.328 53 HD22 LEU 6 HD22 LEU 6 1.890 -0.210 0.736 54 HD23 LEU 6 HD23 LEU 6 0.369 0.052 1.596 55 H LYS 7 H LYS 7 2.061 2.595 -3.921 56 HA LYS 7 HA LYS 7 1.461 0.207 -5.336 57 HB2 LYS 7 HB2 LYS 7 3.018 1.980 -7.039 58 HB3 LYS 7 HB3 LYS 7 1.343 1.535 -7.154 59 HG2 LYS 7 HG2 LYS 7 2.443 3.735 -5.388 60 HG3 LYS 7 HG3 LYS 7 1.738 3.940 -6.972 61 HD2 LYS 7 HD2 LYS 7 -0.416 2.935 -6.131 62 HD3 LYS 7 HD3 LYS 7 0.313 2.860 -4.528 63 HE2 LYS 7 HE2 LYS 7 0.649 5.346 -4.549 64 HE3 LYS 7 HE3 LYS 7 -0.054 5.409 -6.128 65 HZ1 LYS 7 HZ1 LYS 7 -1.508 5.814 -4.066 66 HZ2 LYS 7 HZ2 LYS 7 -1.596 4.113 -4.003 67 HZ3 LYS 7 HZ3 LYS 7 -2.112 5.002 -5.413 68 H LEU 8 H LEU 8 4.447 1.995 -4.903 69 HA LEU 8 HA LEU 8 6.118 0.428 -6.437 70 HB2 LEU 8 HB2 LEU 8 6.575 2.319 -4.160 71 HB3 LEU 8 HB3 LEU 8 7.915 1.388 -4.782 72 HG LEU 8 HG LEU 8 7.560 3.686 -5.790 73 HD11 LEU 8 HD11 LEU 8 8.162 2.938 -8.073 74 HD12 LEU 8 HD12 LEU 8 7.565 1.329 -7.700 75 HD13 LEU 8 HD13 LEU 8 8.985 1.968 -6.853 76 HD21 LEU 8 HD21 LEU 8 5.919 3.840 -7.638 77 HD22 LEU 8 HD22 LEU 8 5.107 3.639 -6.102 78 HD23 LEU 8 HD23 LEU 8 5.248 2.277 -7.224 79 H ILE 9 H ILE 9 5.335 0.281 -3.011 80 HA ILE 9 HA ILE 9 7.208 -1.666 -2.276 81 HB ILE 9 HB ILE 9 4.468 -1.051 -1.135 82 HG12 ILE 9 HG12 ILE 9 6.145 0.813 -0.970 83 HG13 ILE 9 HG13 ILE 9 5.774 0.133 0.607 84 HG21 ILE 9 HG21 ILE 9 4.712 -2.989 0.010 85 HG22 ILE 9 HG22 ILE 9 5.982 -2.118 0.887 86 HG23 ILE 9 HG23 ILE 9 6.419 -3.141 -0.456 87 HD11 ILE 9 HD11 ILE 9 7.774 -1.432 0.226 88 HD12 ILE 9 HD12 ILE 9 8.104 0.265 0.579 89 HD13 ILE 9 HD13 ILE 9 8.183 -0.336 -1.091 90 H ARG 10 H ARG 10 3.931 -1.958 -3.458 91 HA ARG 10 HA ARG 10 3.568 -4.694 -3.080 92 HB2 ARG 10 HB2 ARG 10 1.825 -3.039 -3.651 93 HB3 ARG 10 HB3 ARG 10 2.490 -2.947 -5.281 94 HG2 ARG 10 HG2 ARG 10 2.085 -5.351 -5.570 95 HG3 ARG 10 HG3 ARG 10 1.334 -5.432 -3.972 96 HD2 ARG 10 HD2 ARG 10 -0.409 -5.179 -5.615 97 HD3 ARG 10 HD3 ARG 10 -0.276 -3.667 -4.706 98 HE ARG 10 HE ARG 10 1.188 -3.961 -7.265 99 HH11 ARG 10 HH11 ARG 10 -1.311 -2.381 -5.382 100 HH12 ARG 10 HH12 ARG 10 -1.579 -1.165 -6.561 101 HH21 ARG 10 HH21 ARG 10 0.810 -2.340 -8.794 102 HH22 ARG 10 HH22 ARG 10 -0.369 -1.151 -8.519 103 H GLU 11 H GLU 11 4.834 -2.973 -5.947 104 HA GLU 11 HA GLU 11 5.116 -5.356 -7.483 105 HB2 GLU 11 HB2 GLU 11 6.886 -3.631 -8.707 106 HB3 GLU 11 HB3 GLU 11 5.181 -3.761 -9.056 107 HG2 GLU 11 HG2 GLU 11 4.654 -1.977 -7.517 108 HG3 GLU 11 HG3 GLU 11 6.320 -1.897 -6.963 109 H LYS 12 H LYS 12 7.386 -3.571 -5.474 110 HA LYS 12 HA LYS 12 9.739 -4.845 -6.327 111 HB2 LYS 12 HB2 LYS 12 9.121 -3.822 -3.526 112 HB3 LYS 12 HB3 LYS 12 10.716 -4.111 -4.213 113 HG2 LYS 12 HG2 LYS 12 8.748 -2.159 -5.381 114 HG3 LYS 12 HG3 LYS 12 10.063 -1.709 -4.299 115 HD2 LYS 12 HD2 LYS 12 11.555 -1.866 -5.893 116 HD3 LYS 12 HD3 LYS 12 10.943 -3.330 -6.639 117 HE2 LYS 12 HE2 LYS 12 9.881 -0.502 -6.981 118 HE3 LYS 12 HE3 LYS 12 10.687 -1.503 -8.184 119 HZ1 LYS 12 HZ1 LYS 12 8.168 -2.495 -6.973 120 HZ2 LYS 12 HZ2 LYS 12 8.884 -2.824 -8.469 121 HZ3 LYS 12 HZ3 LYS 12 8.121 -1.353 -8.228 122 H LYS 13 H LYS 13 7.425 -5.748 -3.847 123 HA LYS 13 HA LYS 13 8.919 -8.180 -3.281 124 HB2 LYS 13 HB2 LYS 13 7.221 -8.634 -1.579 125 HB3 LYS 13 HB3 LYS 13 7.941 -7.028 -1.400 126 HG2 LYS 13 HG2 LYS 13 5.988 -6.026 -2.521 127 HG3 LYS 13 HG3 LYS 13 5.269 -7.593 -2.753 128 HD2 LYS 13 HD2 LYS 13 4.225 -7.159 -0.804 129 HD3 LYS 13 HD3 LYS 13 5.722 -7.710 -0.055 130 HE2 LYS 13 HE2 LYS 13 5.208 -4.816 -0.805 131 HE3 LYS 13 HE3 LYS 13 4.794 -5.461 0.750 132 HZ1 LYS 13 HZ1 LYS 13 7.459 -4.858 -0.277 133 HZ2 LYS 13 HZ2 LYS 13 7.325 -6.281 0.640 134 HZ3 LYS 13 HZ3 LYS 13 6.820 -4.816 1.281 135 H LYS 14 H LYS 14 6.988 -7.291 -5.695 136 HA LYS 14 HA LYS 14 5.820 -8.402 -7.295 137 HB2 LYS 14 HB2 LYS 14 7.310 -10.789 -6.222 138 HB3 LYS 14 HB3 LYS 14 6.579 -10.645 -7.806 139 HG2 LYS 14 HG2 LYS 14 8.776 -8.802 -6.792 140 HG3 LYS 14 HG3 LYS 14 9.100 -10.182 -7.811 141 HD2 LYS 14 HD2 LYS 14 7.259 -7.875 -8.577 142 HD3 LYS 14 HD3 LYS 14 8.930 -7.996 -9.064 143 HE2 LYS 14 HE2 LYS 14 6.575 -9.479 -10.106 144 HE3 LYS 14 HE3 LYS 14 8.065 -9.023 -10.910 145 HZ1 LYS 14 HZ1 LYS 14 7.738 -11.283 -9.005 146 HZ2 LYS 14 HZ2 LYS 14 9.205 -10.859 -9.720 147 HZ3 LYS 14 HZ3 LYS 14 7.908 -11.421 -10.642 148 H ILE 15 H ILE 15 4.278 -8.001 -5.115 149 HA ILE 15 HA ILE 15 2.627 -10.452 -5.031 150 HB ILE 15 HB ILE 15 3.039 -8.248 -2.999 151 HG12 ILE 15 HG12 ILE 15 2.316 -10.600 -1.742 152 HG13 ILE 15 HG13 ILE 15 3.169 -11.204 -3.148 153 HG21 ILE 15 HG21 ILE 15 0.696 -7.986 -3.338 154 HG22 ILE 15 HG22 ILE 15 0.881 -9.047 -1.936 155 HG23 ILE 15 HG23 ILE 15 0.505 -9.730 -3.521 156 HD11 ILE 15 HD11 ILE 15 5.055 -9.637 -2.565 157 HD12 ILE 15 HD12 ILE 15 4.771 -10.912 -1.383 158 HD13 ILE 15 HD13 ILE 15 4.191 -9.276 -1.051 159 H SER 16 H SER 16 0.707 -10.360 -6.082 160 HA SER 16 HA SER 16 0.249 -7.988 -7.615 161 HB2 SER 16 HB2 SER 16 -1.386 -9.181 -8.808 162 HB3 SER 16 HB3 SER 16 -0.227 -10.409 -8.357 163 HG SER 16 HG SER 16 -1.722 -10.727 -6.440 164 H GLN 17 H GLN 17 -1.702 -6.737 -7.522 165 HA GLN 17 HA GLN 17 -2.339 -5.895 -4.932 166 HB2 GLN 17 HB2 GLN 17 -4.634 -5.182 -6.316 167 HB3 GLN 17 HB3 GLN 17 -3.191 -4.200 -6.212 168 HG2 GLN 17 HG2 GLN 17 -3.782 -4.396 -8.514 169 HG3 GLN 17 HG3 GLN 17 -2.334 -5.364 -8.314 170 HE21 GLN 17 HE21 GLN 17 -2.843 -6.925 -10.003 171 HE22 GLN 17 HE22 GLN 17 -4.184 -7.952 -9.921 172 H SER 18 H SER 18 -3.594 -8.456 -6.885 173 HA SER 18 HA SER 18 -6.068 -8.984 -5.849 174 HB2 SER 18 HB2 SER 18 -4.244 -11.289 -6.290 175 HB3 SER 18 HB3 SER 18 -5.865 -10.973 -6.867 176 HG SER 18 HG SER 18 -3.375 -10.168 -7.816 177 H GLU 19 H GLU 19 -2.866 -9.916 -4.518 178 HA GLU 19 HA GLU 19 -3.835 -11.549 -2.438 179 HB2 GLU 19 HB2 GLU 19 -1.293 -9.976 -2.814 180 HB3 GLU 19 HB3 GLU 19 -1.549 -10.906 -1.361 181 HG2 GLU 19 HG2 GLU 19 -0.417 -12.399 -2.729 182 HG3 GLU 19 HG3 GLU 19 -2.083 -12.884 -2.990 183 H LEU 20 H LEU 20 -2.733 -8.185 -2.271 184 HA LEU 20 HA LEU 20 -3.901 -7.965 0.355 185 HB2 LEU 20 HB2 LEU 20 -2.817 -5.799 0.591 186 HB3 LEU 20 HB3 LEU 20 -1.696 -7.046 0.118 187 HG LEU 20 HG LEU 20 -1.249 -4.984 -1.115 188 HD11 LEU 20 HD11 LEU 20 -0.925 -5.895 -3.212 189 HD12 LEU 20 HD12 LEU 20 -2.434 -6.792 -3.175 190 HD13 LEU 20 HD13 LEU 20 -1.065 -7.342 -2.217 191 HD21 LEU 20 HD21 LEU 20 -3.761 -5.153 -2.733 192 HD22 LEU 20 HD22 LEU 20 -2.779 -3.768 -2.296 193 HD23 LEU 20 HD23 LEU 20 -3.884 -4.437 -1.118 194 H ALA 21 H ALA 21 -4.873 -6.867 -2.770 195 HA ALA 21 HA ALA 21 -6.161 -4.554 -2.296 196 HB1 ALA 21 HB1 ALA 21 -6.884 -4.807 -4.384 197 HB2 ALA 21 HB2 ALA 21 -8.006 -6.072 -3.883 198 HB3 ALA 21 HB3 ALA 21 -6.406 -6.500 -4.375 199 H ALA 22 H ALA 22 -7.881 -7.604 -1.943 200 HA ALA 22 HA ALA 22 -10.198 -6.448 -0.956 201 HB1 ALA 22 HB1 ALA 22 -10.544 -8.645 -1.689 202 HB2 ALA 22 HB2 ALA 22 -10.576 -8.849 0.056 203 HB3 ALA 22 HB3 ALA 22 -9.120 -9.240 -0.838 204 H LEU 23 H LEU 23 -7.259 -7.292 0.656 205 HA LEU 23 HA LEU 23 -8.144 -7.766 3.226 206 HB2 LEU 23 HB2 LEU 23 -5.486 -6.932 2.141 207 HB3 LEU 23 HB3 LEU 23 -5.735 -6.912 3.873 208 HG LEU 23 HG LEU 23 -4.824 -9.107 3.019 209 HD11 LEU 23 HD11 LEU 23 -5.865 -10.230 4.665 210 HD12 LEU 23 HD12 LEU 23 -7.478 -9.800 4.111 211 HD13 LEU 23 HD13 LEU 23 -6.539 -8.651 5.057 212 HD21 LEU 23 HD21 LEU 23 -7.626 -9.490 1.865 213 HD22 LEU 23 HD22 LEU 23 -6.267 -10.603 1.830 214 HD23 LEU 23 HD23 LEU 23 -6.203 -9.119 0.888 215 H LEU 24 H LEU 24 -7.428 -4.648 1.795 216 HA LEU 24 HA LEU 24 -7.239 -3.277 4.262 217 HB2 LEU 24 HB2 LEU 24 -8.052 -1.283 2.622 218 HB3 LEU 24 HB3 LEU 24 -6.394 -1.806 2.757 219 HG LEU 24 HG LEU 24 -8.259 -3.183 0.786 220 HD11 LEU 24 HD11 LEU 24 -6.694 -1.322 -0.553 221 HD12 LEU 24 HD12 LEU 24 -7.549 -0.411 0.691 222 HD13 LEU 24 HD13 LEU 24 -8.441 -1.402 -0.473 223 HD21 LEU 24 HD21 LEU 24 -5.818 -3.993 1.369 224 HD22 LEU 24 HD22 LEU 24 -5.337 -2.542 0.487 225 HD23 LEU 24 HD23 LEU 24 -6.264 -3.771 -0.327 226 H GLU 25 H GLU 25 -9.863 -4.828 3.293 227 HA GLU 25 HA GLU 25 -12.075 -4.790 3.832 228 HB2 GLU 25 HB2 GLU 25 -11.023 -3.044 6.079 229 HB3 GLU 25 HB3 GLU 25 -12.622 -3.766 6.018 230 HG2 GLU 25 HG2 GLU 25 -11.631 -6.035 5.915 231 HG3 GLU 25 HG3 GLU 25 -10.028 -5.322 5.925 232 H VAL 26 H VAL 26 -11.086 -2.683 2.029 233 HA VAL 26 HA VAL 26 -13.389 -0.852 2.267 234 HB VAL 26 HB VAL 26 -12.061 0.874 1.080 235 HG11 VAL 26 HG11 VAL 26 -12.092 0.646 3.650 236 HG12 VAL 26 HG12 VAL 26 -10.820 1.629 2.921 237 HG13 VAL 26 HG13 VAL 26 -10.457 0.000 3.467 238 HG21 VAL 26 HG21 VAL 26 -9.540 0.506 0.990 239 HG22 VAL 26 HG22 VAL 26 -10.461 -0.483 -0.141 240 HG23 VAL 26 HG23 VAL 26 -9.851 -1.189 1.350 241 H SER 27 H SER 27 -14.086 -0.102 -0.034 242 HA SER 27 HA SER 27 -14.394 -2.396 -1.631 243 HB2 SER 27 HB2 SER 27 -14.658 -0.192 -3.365 244 HB3 SER 27 HB3 SER 27 -15.935 -1.011 -2.495 245 HG SER 27 HG SER 27 -14.384 1.229 -1.822 246 H ARG 28 H ARG 28 -13.047 -3.299 -3.091 247 HA ARG 28 HA ARG 28 -10.357 -2.545 -3.157 248 HB2 ARG 28 HB2 ARG 28 -11.095 -4.803 -3.706 249 HB3 ARG 28 HB3 ARG 28 -11.806 -4.241 -5.237 250 HG2 ARG 28 HG2 ARG 28 -9.375 -3.299 -5.676 251 HG3 ARG 28 HG3 ARG 28 -8.965 -4.248 -4.308 252 HD2 ARG 28 HD2 ARG 28 -9.711 -6.337 -5.304 253 HD3 ARG 28 HD3 ARG 28 -10.335 -5.521 -6.701 254 HE ARG 28 HE ARG 28 -7.644 -6.320 -6.294 255 HH11 ARG 28 HH11 ARG 28 -9.537 -3.683 -7.549 256 HH12 ARG 28 HH12 ARG 28 -8.420 -3.259 -8.793 257 HH21 ARG 28 HH21 ARG 28 -6.160 -5.797 -8.026 258 HH22 ARG 28 HH22 ARG 28 -6.519 -4.486 -9.068 259 H GLN 29 H GLN 29 -13.000 -1.993 -5.357 260 HA GLN 29 HA GLN 29 -11.672 -0.772 -7.484 261 HB2 GLN 29 HB2 GLN 29 -14.392 0.200 -6.609 262 HB3 GLN 29 HB3 GLN 29 -13.767 -0.033 -8.230 263 HG2 GLN 29 HG2 GLN 29 -13.663 -2.518 -7.751 264 HG3 GLN 29 HG3 GLN 29 -14.437 -2.125 -6.224 265 HE21 GLN 29 HE21 GLN 29 -15.789 0.090 -8.227 266 HE22 GLN 29 HE22 GLN 29 -17.159 -0.773 -8.732 267 H THR 30 H THR 30 -13.062 0.592 -4.526 268 HA THR 30 HA THR 30 -12.487 3.257 -5.182 269 HB THR 30 HB THR 30 -12.740 3.613 -2.662 270 HG1 THR 30 HG1 THR 30 -12.337 1.103 -2.387 271 HG21 THR 30 HG21 THR 30 -14.938 2.250 -4.233 272 HG22 THR 30 HG22 THR 30 -14.520 3.961 -4.326 273 HG23 THR 30 HG23 THR 30 -15.159 3.316 -2.832 274 H ILE 31 H ILE 31 -10.623 0.882 -3.285 275 HA ILE 31 HA ILE 31 -8.548 2.819 -2.856 276 HB ILE 31 HB ILE 31 -8.806 0.742 -1.412 277 HG12 ILE 31 HG12 ILE 31 -6.264 0.478 -1.240 278 HG13 ILE 31 HG13 ILE 31 -6.147 1.374 -2.737 279 HG21 ILE 31 HG21 ILE 31 -7.687 -0.562 -3.939 280 HG22 ILE 31 HG22 ILE 31 -9.098 -1.020 -3.000 281 HG23 ILE 31 HG23 ILE 31 -7.505 -1.275 -2.349 282 HD11 ILE 31 HD11 ILE 31 -6.135 2.505 -0.256 283 HD12 ILE 31 HD12 ILE 31 -7.820 2.718 -0.724 284 HD13 ILE 31 HD13 ILE 31 -6.530 3.345 -1.747 285 H ASN 32 H ASN 32 -9.154 0.310 -5.201 286 HA ASN 32 HA ASN 32 -6.715 0.562 -6.572 287 HB2 ASN 32 HB2 ASN 32 -8.573 -1.216 -6.875 288 HB3 ASN 32 HB3 ASN 32 -9.282 -0.080 -8.026 289 HD21 ASN 32 HD21 ASN 32 -6.526 0.947 -8.818 290 HD22 ASN 32 HD22 ASN 32 -5.886 -0.298 -9.765 291 H GLY 33 H GLY 33 -9.769 2.274 -6.829 292 HA2 GLY 33 HA2 GLY 33 -8.950 3.959 -8.995 293 HA3 GLY 33 HA3 GLY 33 -10.340 4.201 -7.932 294 H ILE 34 H ILE 34 -9.292 4.455 -5.451 295 HA ILE 34 HA ILE 34 -8.302 7.035 -5.626 296 HB ILE 34 HB ILE 34 -9.070 5.296 -3.342 297 HG12 ILE 34 HG12 ILE 34 -10.235 7.600 -2.851 298 HG13 ILE 34 HG13 ILE 34 -9.668 8.024 -4.457 299 HG21 ILE 34 HG21 ILE 34 -7.023 6.052 -2.398 300 HG22 ILE 34 HG22 ILE 34 -8.323 6.985 -1.718 301 HG23 ILE 34 HG23 ILE 34 -7.282 7.717 -2.929 302 HD11 ILE 34 HD11 ILE 34 -10.825 6.199 -5.469 303 HD12 ILE 34 HD12 ILE 34 -11.952 7.126 -4.489 304 HD13 ILE 34 HD13 ILE 34 -11.358 5.578 -3.892 305 H GLU 35 H GLU 35 -6.542 4.079 -4.743 306 HA GLU 35 HA GLU 35 -4.143 5.529 -4.264 307 HB2 GLU 35 HB2 GLU 35 -4.804 2.648 -4.655 308 HB3 GLU 35 HB3 GLU 35 -3.156 3.134 -4.998 309 HG2 GLU 35 HG2 GLU 35 -3.578 4.472 -2.659 310 HG3 GLU 35 HG3 GLU 35 -4.562 3.075 -2.373 311 H LYS 36 H LYS 36 -5.953 4.846 -6.955 312 HA LYS 36 HA LYS 36 -3.771 5.203 -8.841 313 HB2 LYS 36 HB2 LYS 36 -5.431 3.463 -9.304 314 HB3 LYS 36 HB3 LYS 36 -6.727 4.657 -9.337 315 HG2 LYS 36 HG2 LYS 36 -5.653 5.741 -11.311 316 HG3 LYS 36 HG3 LYS 36 -4.335 4.585 -11.209 317 HD2 LYS 36 HD2 LYS 36 -5.852 2.731 -11.592 318 HD3 LYS 36 HD3 LYS 36 -7.237 3.818 -11.642 319 HE2 LYS 36 HE2 LYS 36 -4.867 4.114 -13.511 320 HE3 LYS 36 HE3 LYS 36 -6.265 3.122 -13.893 321 HZ1 LYS 36 HZ1 LYS 36 -6.838 5.846 -12.971 322 HZ2 LYS 36 HZ2 LYS 36 -7.622 4.865 -14.083 323 HZ3 LYS 36 HZ3 LYS 36 -6.219 5.662 -14.554 324 H ASN 37 H ASN 37 -3.851 7.317 -7.304 325 HA ASN 37 HA ASN 37 -3.362 9.489 -8.036 326 HB2 ASN 37 HB2 ASN 37 -4.432 9.004 -10.302 327 HB3 ASN 37 HB3 ASN 37 -5.914 9.620 -9.537 328 HD21 ASN 37 HD21 ASN 37 -5.925 11.603 -10.913 329 HD22 ASN 37 HD22 ASN 37 -4.776 12.819 -10.632 330 H LYS 38 H LYS 38 -5.608 8.412 -5.930 331 HA LYS 38 HA LYS 38 -6.544 11.195 -5.426 332 HB2 LYS 38 HB2 LYS 38 -7.713 8.573 -4.810 333 HB3 LYS 38 HB3 LYS 38 -7.771 9.731 -3.497 334 HG2 LYS 38 HG2 LYS 38 -9.760 10.079 -4.764 335 HG3 LYS 38 HG3 LYS 38 -8.704 11.442 -5.112 336 HD2 LYS 38 HD2 LYS 38 -7.969 10.343 -7.204 337 HD3 LYS 38 HD3 LYS 38 -8.952 8.952 -6.830 338 HE2 LYS 38 HE2 LYS 38 -10.015 10.474 -8.420 339 HE3 LYS 38 HE3 LYS 38 -11.008 10.237 -6.993 340 HZ1 LYS 38 HZ1 LYS 38 -10.755 12.374 -6.380 341 HZ2 LYS 38 HZ2 LYS 38 -10.395 12.640 -7.994 342 HZ3 LYS 38 HZ3 LYS 38 -9.142 12.501 -6.854 343 H TYR 39 H TYR 39 -5.410 8.378 -3.535 344 HA TYR 39 HA TYR 39 -3.256 9.764 -2.457 345 HB2 TYR 39 HB2 TYR 39 -3.971 9.958 -0.072 346 HB3 TYR 39 HB3 TYR 39 -4.797 11.072 -1.147 347 HD1 TYR 39 HD1 TYR 39 -7.184 10.771 -1.689 348 HD2 TYR 39 HD2 TYR 39 -5.155 8.083 0.961 349 HE1 TYR 39 HE1 TYR 39 -9.365 9.879 -0.909 350 HE2 TYR 39 HE2 TYR 39 -7.316 7.206 1.747 351 HH TYR 39 HH TYR 39 -9.798 8.306 1.817 352 H ASN 40 H ASN 40 -2.133 8.547 -0.771 353 HA ASN 40 HA ASN 40 -2.251 5.706 -1.285 354 HB2 ASN 40 HB2 ASN 40 -0.418 7.549 0.191 355 HB3 ASN 40 HB3 ASN 40 -0.465 5.882 0.733 356 HD21 ASN 40 HD21 ASN 40 -0.674 4.393 -1.654 357 HD22 ASN 40 HD22 ASN 40 0.667 4.783 -2.605 358 HA PRO 41 HA PRO 41 -4.929 4.588 2.019 359 HB2 PRO 41 HB2 PRO 41 -2.853 2.654 2.945 360 HB3 PRO 41 HB3 PRO 41 -4.576 2.406 2.564 361 HG2 PRO 41 HG2 PRO 41 -2.746 1.580 0.885 362 HG3 PRO 41 HG3 PRO 41 -4.223 2.357 0.299 363 HD2 PRO 41 HD2 PRO 41 -1.470 3.540 0.478 364 HD3 PRO 41 HD3 PRO 41 -2.751 3.758 -0.746 365 H SER 42 H SER 42 -5.277 5.380 4.084 366 HA SER 42 HA SER 42 -3.373 6.957 5.457 367 HB2 SER 42 HB2 SER 42 -5.721 5.651 6.817 368 HB3 SER 42 HB3 SER 42 -5.052 7.248 7.024 369 HG SER 42 HG SER 42 -5.971 7.909 5.121 370 H LEU 43 H LEU 43 -2.342 6.414 7.551 371 HA LEU 43 HA LEU 43 -1.104 3.901 7.427 372 HB2 LEU 43 HB2 LEU 43 -1.168 6.073 9.486 373 HB3 LEU 43 HB3 LEU 43 -0.573 4.489 9.960 374 HG LEU 43 HG LEU 43 1.058 4.500 8.120 375 HD11 LEU 43 HD11 LEU 43 0.062 7.287 7.487 376 HD12 LEU 43 HD12 LEU 43 -0.218 5.838 6.502 377 HD13 LEU 43 HD13 LEU 43 1.406 6.436 6.737 378 HD21 LEU 43 HD21 LEU 43 1.402 7.192 9.392 379 HD22 LEU 43 HD22 LEU 43 2.582 5.911 9.150 380 HD23 LEU 43 HD23 LEU 43 1.383 5.769 10.434 381 H GLN 44 H GLN 44 -3.841 4.991 9.285 382 HA GLN 44 HA GLN 44 -4.308 2.662 10.848 383 HB2 GLN 44 HB2 GLN 44 -6.605 4.192 9.645 384 HB3 GLN 44 HB3 GLN 44 -6.444 3.526 11.257 385 HG2 GLN 44 HG2 GLN 44 -6.105 5.758 11.745 386 HG3 GLN 44 HG3 GLN 44 -4.442 5.301 11.427 387 HE21 GLN 44 HE21 GLN 44 -6.901 7.469 10.477 388 HE22 GLN 44 HE22 GLN 44 -6.186 8.017 9.046 389 H LEU 45 H LEU 45 -5.366 3.623 7.651 390 HA LEU 45 HA LEU 45 -6.691 1.206 6.918 391 HB2 LEU 45 HB2 LEU 45 -7.260 3.226 5.755 392 HB3 LEU 45 HB3 LEU 45 -5.584 3.500 5.306 393 HG LEU 45 HG LEU 45 -5.610 1.507 3.846 394 HD11 LEU 45 HD11 LEU 45 -8.141 0.693 3.517 395 HD12 LEU 45 HD12 LEU 45 -8.112 0.956 5.274 396 HD13 LEU 45 HD13 LEU 45 -6.916 -0.096 4.496 397 HD21 LEU 45 HD21 LEU 45 -8.109 3.134 3.330 398 HD22 LEU 45 HD22 LEU 45 -7.080 2.357 2.135 399 HD23 LEU 45 HD23 LEU 45 -6.505 3.775 3.025 400 H ALA 46 H ALA 46 -3.494 2.499 6.304 401 HA ALA 46 HA ALA 46 -2.675 0.591 4.505 402 HB1 ALA 46 HB1 ALA 46 -1.590 2.724 4.746 403 HB2 ALA 46 HB2 ALA 46 -0.426 1.395 4.831 404 HB3 ALA 46 HB3 ALA 46 -0.930 2.226 6.308 405 H LEU 47 H LEU 47 -2.291 0.590 8.015 406 HA LEU 47 HA LEU 47 -0.445 -1.530 8.090 407 HB2 LEU 47 HB2 LEU 47 -1.206 -1.934 10.443 408 HB3 LEU 47 HB3 LEU 47 -0.785 -0.259 10.091 409 HG LEU 47 HG LEU 47 -3.386 -0.094 9.496 410 HD11 LEU 47 HD11 LEU 47 -4.144 -1.598 11.747 411 HD12 LEU 47 HD12 LEU 47 -3.156 -2.686 10.798 412 HD13 LEU 47 HD13 LEU 47 -4.563 -1.911 10.076 413 HD21 LEU 47 HD21 LEU 47 -3.637 0.346 12.111 414 HD22 LEU 47 HD22 LEU 47 -2.642 1.409 11.119 415 HD23 LEU 47 HD23 LEU 47 -1.901 0.137 12.085 416 H LYS 48 H LYS 48 -3.951 -1.620 7.986 417 HA LYS 48 HA LYS 48 -4.275 -4.378 8.443 418 HB2 LYS 48 HB2 LYS 48 -6.017 -2.370 8.090 419 HB3 LYS 48 HB3 LYS 48 -6.045 -2.978 6.447 420 HG2 LYS 48 HG2 LYS 48 -6.682 -4.497 8.981 421 HG3 LYS 48 HG3 LYS 48 -7.809 -4.050 7.704 422 HD2 LYS 48 HD2 LYS 48 -6.376 -5.484 6.119 423 HD3 LYS 48 HD3 LYS 48 -5.562 -6.095 7.552 424 HE2 LYS 48 HE2 LYS 48 -8.440 -6.473 6.741 425 HE3 LYS 48 HE3 LYS 48 -7.258 -7.685 7.205 426 HZ1 LYS 48 HZ1 LYS 48 -7.494 -6.010 9.423 427 HZ2 LYS 48 HZ2 LYS 48 -8.112 -7.568 9.244 428 HZ3 LYS 48 HZ3 LYS 48 -9.079 -6.268 8.845 429 H ILE 49 H ILE 49 -3.911 -2.526 5.456 430 HA ILE 49 HA ILE 49 -3.738 -4.855 3.751 431 HB ILE 49 HB ILE 49 -4.604 -2.856 2.769 432 HG12 ILE 49 HG12 ILE 49 -1.903 -3.763 1.688 433 HG13 ILE 49 HG13 ILE 49 -3.536 -4.057 1.072 434 HG21 ILE 49 HG21 ILE 49 -3.310 -0.784 2.542 435 HG22 ILE 49 HG22 ILE 49 -1.960 -1.525 3.386 436 HG23 ILE 49 HG23 ILE 49 -3.492 -1.241 4.225 437 HD11 ILE 49 HD11 ILE 49 -2.709 -2.486 -0.423 438 HD12 ILE 49 HD12 ILE 49 -1.817 -1.613 0.808 439 HD13 ILE 49 HD13 ILE 49 -3.568 -1.449 0.699 440 H ALA 50 H ALA 50 -1.366 -2.580 5.042 441 HA ALA 50 HA ALA 50 0.790 -3.333 3.522 442 HB1 ALA 50 HB1 ALA 50 2.182 -2.127 5.027 443 HB2 ALA 50 HB2 ALA 50 1.042 -2.326 6.349 444 HB3 ALA 50 HB3 ALA 50 0.635 -1.296 4.980 445 H TYR 51 H TYR 51 0.172 -4.500 6.838 446 HA TYR 51 HA TYR 51 2.452 -6.158 6.893 447 HB2 TYR 51 HB2 TYR 51 -0.124 -6.275 8.474 448 HB3 TYR 51 HB3 TYR 51 1.198 -7.411 8.714 449 HD1 TYR 51 HD1 TYR 51 3.425 -6.649 9.528 450 HD2 TYR 51 HD2 TYR 51 0.100 -3.947 9.177 451 HE1 TYR 51 HE1 TYR 51 4.599 -5.009 10.961 452 HE2 TYR 51 HE2 TYR 51 1.253 -2.319 10.590 453 HH TYR 51 HH TYR 51 4.533 -2.400 11.360 454 H TYR 52 H TYR 52 -0.867 -6.798 5.976 455 HA TYR 52 HA TYR 52 -0.456 -9.528 5.291 456 HB2 TYR 52 HB2 TYR 52 -2.556 -7.491 4.542 457 HB3 TYR 52 HB3 TYR 52 -2.539 -9.090 3.816 458 HD1 TYR 52 HD1 TYR 52 -2.785 -7.294 7.079 459 HD2 TYR 52 HD2 TYR 52 -3.138 -11.064 5.049 460 HE1 TYR 52 HE1 TYR 52 -3.815 -8.264 9.084 461 HE2 TYR 52 HE2 TYR 52 -4.165 -12.043 7.050 462 HH TYR 52 HH TYR 52 -4.599 -11.754 9.232 463 H LEU 53 H LEU 53 -0.089 -6.481 3.608 464 HA LEU 53 HA LEU 53 0.639 -7.598 1.088 465 HB2 LEU 53 HB2 LEU 53 -0.228 -5.298 1.272 466 HB3 LEU 53 HB3 LEU 53 1.160 -4.857 2.265 467 HG LEU 53 HG LEU 53 2.681 -5.198 0.382 468 HD11 LEU 53 HD11 LEU 53 1.208 -5.578 -1.883 469 HD12 LEU 53 HD12 LEU 53 0.309 -6.576 -0.741 470 HD13 LEU 53 HD13 LEU 53 2.018 -6.875 -1.015 471 HD21 LEU 53 HD21 LEU 53 1.792 -3.483 -1.178 472 HD22 LEU 53 HD22 LEU 53 1.587 -3.018 0.509 473 HD23 LEU 53 HD23 LEU 53 0.212 -3.629 -0.418 474 H ASN 54 H ASN 54 2.117 -8.247 3.831 475 HA ASN 54 HA ASN 54 4.222 -8.970 4.387 476 HB2 ASN 54 HB2 ASN 54 4.551 -8.769 1.409 477 HB3 ASN 54 HB3 ASN 54 5.853 -9.237 2.458 478 HD21 ASN 54 HD21 ASN 54 4.323 -10.904 0.417 479 HD22 ASN 54 HD22 ASN 54 3.740 -12.239 1.276 480 H THR 55 H THR 55 3.578 -6.130 4.400 481 HA THR 55 HA THR 55 6.312 -5.178 4.486 482 HB THR 55 HB THR 55 4.452 -4.622 2.421 483 HG1 THR 55 HG1 THR 55 7.006 -3.412 2.806 484 HG21 THR 55 HG21 THR 55 4.691 -2.105 2.368 485 HG22 THR 55 HG22 THR 55 5.280 -2.180 4.030 486 HG23 THR 55 HG23 THR 55 3.651 -2.721 3.630 487 HA PRO 56 HA PRO 56 4.299 -3.924 8.301 488 HB2 PRO 56 HB2 PRO 56 6.957 -2.670 8.745 489 HB3 PRO 56 HB3 PRO 56 6.014 -3.716 9.813 490 HG2 PRO 56 HG2 PRO 56 8.104 -4.696 8.539 491 HG3 PRO 56 HG3 PRO 56 6.635 -5.666 8.713 492 HD2 PRO 56 HD2 PRO 56 7.666 -4.296 6.268 493 HD3 PRO 56 HD3 PRO 56 6.740 -5.798 6.438 494 H LEU 57 H LEU 57 3.569 -1.950 9.247 495 HA LEU 57 HA LEU 57 3.080 0.230 7.515 496 HB2 LEU 57 HB2 LEU 57 1.971 -0.423 9.835 497 HB3 LEU 57 HB3 LEU 57 3.264 0.565 10.506 498 HG LEU 57 HG LEU 57 1.204 1.884 10.170 499 HD11 LEU 57 HD11 LEU 57 2.907 3.034 8.057 500 HD12 LEU 57 HD12 LEU 57 3.730 2.699 9.583 501 HD13 LEU 57 HD13 LEU 57 2.315 3.727 9.556 502 HD21 LEU 57 HD21 LEU 57 0.825 0.395 7.883 503 HD22 LEU 57 HD22 LEU 57 1.451 1.914 7.222 504 HD23 LEU 57 HD23 LEU 57 0.021 1.911 8.248 505 H GLU 58 H GLU 58 5.552 -0.432 9.950 506 HA GLU 58 HA GLU 58 6.903 2.060 9.829 507 HB2 GLU 58 HB2 GLU 58 8.003 -0.684 10.430 508 HB3 GLU 58 HB3 GLU 58 8.724 0.847 10.876 509 HG2 GLU 58 HG2 GLU 58 7.597 0.367 12.890 510 HG3 GLU 58 HG3 GLU 58 6.393 1.303 12.045 511 H ASP 59 H ASP 59 6.821 -0.760 7.787 512 HA ASP 59 HA ASP 59 9.302 -0.296 6.442 513 HB2 ASP 59 HB2 ASP 59 8.310 -2.486 6.502 514 HB3 ASP 59 HB3 ASP 59 6.901 -1.933 5.604 515 H ILE 60 H ILE 60 6.013 0.707 5.903 516 HA ILE 60 HA ILE 60 6.805 2.086 3.442 517 HB ILE 60 HB ILE 60 4.453 2.698 3.204 518 HG12 ILE 60 HG12 ILE 60 3.975 1.072 5.731 519 HG13 ILE 60 HG13 ILE 60 3.921 2.838 5.691 520 HG21 ILE 60 HG21 ILE 60 5.548 0.214 2.844 521 HG22 ILE 60 HG22 ILE 60 3.897 0.635 2.368 522 HG23 ILE 60 HG23 ILE 60 4.196 -0.162 3.908 523 HD11 ILE 60 HD11 ILE 60 1.855 1.020 5.058 524 HD12 ILE 60 HD12 ILE 60 2.304 1.802 3.548 525 HD13 ILE 60 HD13 ILE 60 1.812 2.776 4.924 526 H PHE 61 H PHE 61 6.196 2.719 6.756 527 HA PHE 61 HA PHE 61 6.046 5.618 6.431 528 HB2 PHE 61 HB2 PHE 61 4.673 4.360 8.092 529 HB3 PHE 61 HB3 PHE 61 6.159 3.935 8.937 530 HD1 PHE 61 HD1 PHE 61 4.177 6.894 7.738 531 HD2 PHE 61 HD2 PHE 61 7.056 5.397 10.571 532 HE1 PHE 61 HE1 PHE 61 4.073 9.022 9.005 533 HE2 PHE 61 HE2 PHE 61 6.940 7.506 11.811 534 HZ PHE 61 HZ PHE 61 5.446 9.337 11.034 535 H GLN 62 H GLN 62 8.393 5.143 5.345 536 HA GLN 62 HA GLN 62 10.416 5.563 7.488 537 HB2 GLN 62 HB2 GLN 62 11.135 4.718 4.680 538 HB3 GLN 62 HB3 GLN 62 12.070 4.596 6.156 539 HG2 GLN 62 HG2 GLN 62 10.341 2.975 7.068 540 HG3 GLN 62 HG3 GLN 62 9.621 2.986 5.452 541 HE21 GLN 62 HE21 GLN 62 10.233 1.120 4.391 542 HE22 GLN 62 HE22 GLN 62 11.794 0.461 4.385 543 H TRP 63 H TRP 63 8.654 7.548 6.368 544 HA TRP 63 HA TRP 63 8.721 9.716 5.694 545 HB2 TRP 63 HB2 TRP 63 11.736 9.709 5.629 546 HB3 TRP 63 HB3 TRP 63 10.633 10.992 6.081 547 HD1 TRP 63 HD1 TRP 63 12.858 8.587 7.612 548 HE1 TRP 63 HE1 TRP 63 12.277 8.224 10.118 549 HE3 TRP 63 HE3 TRP 63 8.240 10.729 7.761 550 HZ2 TRP 63 HZ2 TRP 63 10.133 8.769 11.921 551 HZ3 TRP 63 HZ3 TRP 63 6.942 10.787 9.877 552 HH2 TRP 63 HH2 TRP 63 7.881 9.818 11.945 553 H GLN 64 H GLN 64 11.532 8.202 4.212 554 HA GLN 64 HA GLN 64 12.352 8.542 2.021 555 HB2 GLN 64 HB2 GLN 64 10.459 6.477 2.403 556 HB3 GLN 64 HB3 GLN 64 10.136 7.140 0.804 557 HG2 GLN 64 HG2 GLN 64 12.989 6.924 1.048 558 HG3 GLN 64 HG3 GLN 64 12.309 5.430 1.643 559 HE21 GLN 64 HE21 GLN 64 11.749 7.692 -1.090 560 HE22 GLN 64 HE22 GLN 64 11.521 6.472 -2.242 561 HA PRO 65 HA PRO 65 9.211 11.896 0.824 562 HB2 PRO 65 HB2 PRO 65 11.588 13.653 1.054 563 HB3 PRO 65 HB3 PRO 65 9.941 13.895 1.634 564 HG2 PRO 65 HG2 PRO 65 11.868 13.377 3.360 565 HG3 PRO 65 HG3 PRO 65 10.263 12.663 3.570 566 HD2 PRO 65 HD2 PRO 65 12.740 11.357 2.492 567 HD3 PRO 65 HD3 PRO 65 11.539 10.724 3.618 568 H GLU 66 H GLU 66 9.080 12.481 -1.320 569 HA GLU 66 HA GLU 66 11.141 11.579 -3.164 570 HB2 GLU 66 HB2 GLU 66 8.412 12.772 -3.495 571 HB3 GLU 66 HB3 GLU 66 9.417 12.413 -4.882 572 HG2 GLU 66 HG2 GLU 66 9.508 10.044 -4.179 573 HG3 GLU 66 HG3 GLU 66 8.519 10.410 -2.779 Start of MODEL 8 1 H1 MET 1 H1 MET 1 16.007 6.463 -4.088 2 HA MET 1 HA MET 1 13.880 5.173 -5.690 3 HB2 MET 1 HB2 MET 1 16.870 4.639 -5.670 4 HB3 MET 1 HB3 MET 1 15.676 3.733 -6.593 5 HG2 MET 1 HG2 MET 1 14.994 5.787 -7.786 6 HG3 MET 1 HG3 MET 1 16.166 6.713 -6.853 7 HE1 MET 1 HE1 MET 1 16.922 3.644 -10.150 8 HE2 MET 1 HE2 MET 1 15.382 4.184 -9.469 9 HE3 MET 1 HE3 MET 1 16.387 3.071 -8.568 10 H ILE 2 H ILE 2 14.354 5.286 -2.682 11 HA ILE 2 HA ILE 2 14.432 2.380 -2.160 12 HB ILE 2 HB ILE 2 14.800 4.668 -0.217 13 HG12 ILE 2 HG12 ILE 2 16.710 4.498 -1.800 14 HG13 ILE 2 HG13 ILE 2 17.184 3.965 -0.192 15 HG21 ILE 2 HG21 ILE 2 14.794 1.659 0.051 16 HG22 ILE 2 HG22 ILE 2 14.058 2.872 1.098 17 HG23 ILE 2 HG23 ILE 2 15.795 2.632 1.122 18 HD11 ILE 2 HD11 ILE 2 18.051 2.365 -1.686 19 HD12 ILE 2 HD12 ILE 2 16.539 2.232 -2.572 20 HD13 ILE 2 HD13 ILE 2 16.666 1.583 -0.930 21 H ILE 3 H ILE 3 12.577 1.447 -1.650 22 HA ILE 3 HA ILE 3 10.384 1.115 -1.427 23 HB ILE 3 HB ILE 3 9.309 1.996 0.603 24 HG12 ILE 3 HG12 ILE 3 11.892 3.554 1.042 25 HG13 ILE 3 HG13 ILE 3 10.370 4.307 0.553 26 HG21 ILE 3 HG21 ILE 3 10.722 0.847 2.137 27 HG22 ILE 3 HG22 ILE 3 12.170 1.250 1.228 28 HG23 ILE 3 HG23 ILE 3 11.031 0.080 0.582 29 HD11 ILE 3 HD11 ILE 3 10.608 2.591 3.016 30 HD12 ILE 3 HD12 ILE 3 9.303 3.691 2.579 31 HD13 ILE 3 HD13 ILE 3 10.879 4.333 3.040 32 H ASN 4 H ASN 4 10.848 4.594 -1.285 33 HA ASN 4 HA ASN 4 9.829 6.310 -2.314 34 HB2 ASN 4 HB2 ASN 4 9.338 4.206 -4.424 35 HB3 ASN 4 HB3 ASN 4 9.184 5.943 -4.665 36 HD21 ASN 4 HD21 ASN 4 11.310 7.155 -3.718 37 HD22 ASN 4 HD22 ASN 4 12.773 6.483 -4.230 38 H ASN 5 H ASN 5 7.620 3.611 -3.153 39 HA ASN 5 HA ASN 5 5.442 5.028 -1.804 40 HB2 ASN 5 HB2 ASN 5 5.602 5.878 -4.248 41 HB3 ASN 5 HB3 ASN 5 5.018 4.288 -4.686 42 HD21 ASN 5 HD21 ASN 5 4.076 7.337 -3.220 43 HD22 ASN 5 HD22 ASN 5 2.442 6.941 -3.056 44 H LEU 6 H LEU 6 3.328 3.820 -2.117 45 HA LEU 6 HA LEU 6 3.596 1.239 -1.040 46 HB2 LEU 6 HB2 LEU 6 1.576 2.974 -1.043 47 HB3 LEU 6 HB3 LEU 6 1.102 2.094 -2.487 48 HG LEU 6 HG LEU 6 -0.039 1.063 -0.650 49 HD11 LEU 6 HD11 LEU 6 1.107 -0.491 -2.335 50 HD12 LEU 6 HD12 LEU 6 0.648 -1.178 -0.779 51 HD13 LEU 6 HD13 LEU 6 2.322 -0.756 -1.075 52 HD21 LEU 6 HD21 LEU 6 2.643 0.722 0.743 53 HD22 LEU 6 HD22 LEU 6 1.055 0.305 1.373 54 HD23 LEU 6 HD23 LEU 6 1.485 1.992 1.131 55 H LYS 7 H LYS 7 2.915 2.415 -4.316 56 HA LYS 7 HA LYS 7 2.393 -0.057 -5.598 57 HB2 LYS 7 HB2 LYS 7 4.096 1.511 -7.341 58 HB3 LYS 7 HB3 LYS 7 2.398 1.189 -7.479 59 HG2 LYS 7 HG2 LYS 7 3.376 3.390 -5.619 60 HG3 LYS 7 HG3 LYS 7 3.248 3.624 -7.332 61 HD2 LYS 7 HD2 LYS 7 0.833 2.861 -7.231 62 HD3 LYS 7 HD3 LYS 7 1.009 2.898 -5.464 63 HE2 LYS 7 HE2 LYS 7 1.463 5.220 -5.426 64 HE3 LYS 7 HE3 LYS 7 1.693 5.303 -7.165 65 HZ1 LYS 7 HZ1 LYS 7 -0.631 5.727 -5.742 66 HZ2 LYS 7 HZ2 LYS 7 -0.906 4.272 -6.468 67 HZ3 LYS 7 HZ3 LYS 7 -0.560 5.661 -7.408 68 H LEU 8 H LEU 8 5.398 1.698 -5.067 69 HA LEU 8 HA LEU 8 7.144 -0.111 -6.274 70 HB2 LEU 8 HB2 LEU 8 7.470 2.043 -4.230 71 HB3 LEU 8 HB3 LEU 8 8.840 1.029 -4.651 72 HG LEU 8 HG LEU 8 8.930 2.991 -6.031 73 HD11 LEU 8 HD11 LEU 8 9.193 0.596 -7.105 74 HD12 LEU 8 HD12 LEU 8 9.172 2.034 -8.121 75 HD13 LEU 8 HD13 LEU 8 7.726 1.050 -7.983 76 HD21 LEU 8 HD21 LEU 8 7.111 3.790 -7.402 77 HD22 LEU 8 HD22 LEU 8 6.461 3.574 -5.787 78 HD23 LEU 8 HD23 LEU 8 6.122 2.388 -7.049 79 H ILE 9 H ILE 9 6.063 0.158 -2.919 80 HA ILE 9 HA ILE 9 7.786 -1.849 -1.924 81 HB ILE 9 HB ILE 9 5.037 -0.998 -0.935 82 HG12 ILE 9 HG12 ILE 9 6.767 0.799 -0.899 83 HG13 ILE 9 HG13 ILE 9 6.363 0.282 0.735 84 HG21 ILE 9 HG21 ILE 9 5.183 -2.729 0.512 85 HG22 ILE 9 HG22 ILE 9 6.668 -2.031 1.153 86 HG23 ILE 9 HG23 ILE 9 6.752 -3.212 -0.136 87 HD11 ILE 9 HD11 ILE 9 8.861 0.047 -0.751 88 HD12 ILE 9 HD12 ILE 9 8.428 -1.438 0.100 89 HD13 ILE 9 HD13 ILE 9 8.591 0.062 1.002 90 H ARG 10 H ARG 10 4.559 -1.911 -3.289 91 HA ARG 10 HA ARG 10 4.061 -4.701 -3.001 92 HB2 ARG 10 HB2 ARG 10 2.305 -3.031 -3.603 93 HB3 ARG 10 HB3 ARG 10 3.080 -2.832 -5.171 94 HG2 ARG 10 HG2 ARG 10 2.830 -5.283 -5.572 95 HG3 ARG 10 HG3 ARG 10 1.918 -5.407 -4.079 96 HD2 ARG 10 HD2 ARG 10 0.333 -5.194 -5.933 97 HD3 ARG 10 HD3 ARG 10 0.287 -3.739 -4.964 98 HE ARG 10 HE ARG 10 1.085 -2.552 -6.777 99 HH11 ARG 10 HH11 ARG 10 1.850 -5.955 -7.185 100 HH12 ARG 10 HH12 ARG 10 2.451 -5.750 -8.776 101 HH21 ARG 10 HH21 ARG 10 1.872 -2.314 -8.893 102 HH22 ARG 10 HH22 ARG 10 2.463 -3.655 -9.762 103 H GLU 11 H GLU 11 5.455 -2.698 -5.549 104 HA GLU 11 HA GLU 11 5.887 -4.813 -7.354 105 HB2 GLU 11 HB2 GLU 11 6.487 -3.188 -8.803 106 HB3 GLU 11 HB3 GLU 11 5.881 -2.112 -7.583 107 HG2 GLU 11 HG2 GLU 11 7.904 -1.155 -7.815 108 HG3 GLU 11 HG3 GLU 11 8.417 -2.327 -6.639 109 H LYS 12 H LYS 12 7.904 -3.403 -4.860 110 HA LYS 12 HA LYS 12 10.281 -4.689 -5.644 111 HB2 LYS 12 HB2 LYS 12 9.403 -3.647 -2.949 112 HB3 LYS 12 HB3 LYS 12 10.996 -4.329 -3.229 113 HG2 LYS 12 HG2 LYS 12 9.931 -2.163 -5.035 114 HG3 LYS 12 HG3 LYS 12 10.712 -1.760 -3.515 115 HD2 LYS 12 HD2 LYS 12 12.706 -1.942 -4.551 116 HD3 LYS 12 HD3 LYS 12 12.440 -3.669 -4.687 117 HE2 LYS 12 HE2 LYS 12 12.946 -2.526 -6.884 118 HE3 LYS 12 HE3 LYS 12 11.440 -3.420 -6.893 119 HZ1 LYS 12 HZ1 LYS 12 10.624 -0.905 -6.111 120 HZ2 LYS 12 HZ2 LYS 12 10.644 -1.563 -7.683 121 HZ3 LYS 12 HZ3 LYS 12 11.918 -0.618 -7.166 122 H LYS 13 H LYS 13 7.719 -5.719 -3.470 123 HA LYS 13 HA LYS 13 9.016 -8.335 -3.212 124 HB2 LYS 13 HB2 LYS 13 7.270 -8.907 -1.638 125 HB3 LYS 13 HB3 LYS 13 8.031 -7.379 -1.184 126 HG2 LYS 13 HG2 LYS 13 6.158 -6.144 -2.221 127 HG3 LYS 13 HG3 LYS 13 5.396 -7.644 -2.695 128 HD2 LYS 13 HD2 LYS 13 4.302 -7.318 -0.732 129 HD3 LYS 13 HD3 LYS 13 5.687 -8.194 -0.084 130 HE2 LYS 13 HE2 LYS 13 6.339 -5.344 -0.277 131 HE3 LYS 13 HE3 LYS 13 4.859 -5.541 0.589 132 HZ1 LYS 13 HZ1 LYS 13 6.714 -5.647 2.049 133 HZ2 LYS 13 HZ2 LYS 13 7.435 -6.857 1.197 134 HZ3 LYS 13 HZ3 LYS 13 6.028 -7.169 2.110 135 H LYS 14 H LYS 14 7.079 -6.817 -5.362 136 HA LYS 14 HA LYS 14 5.782 -7.459 -7.089 137 HB2 LYS 14 HB2 LYS 14 6.932 -10.205 -7.028 138 HB3 LYS 14 HB3 LYS 14 6.684 -9.126 -8.398 139 HG2 LYS 14 HG2 LYS 14 8.561 -7.781 -6.700 140 HG3 LYS 14 HG3 LYS 14 9.041 -9.463 -6.731 141 HD2 LYS 14 HD2 LYS 14 10.145 -8.329 -8.458 142 HD3 LYS 14 HD3 LYS 14 8.976 -9.399 -9.248 143 HE2 LYS 14 HE2 LYS 14 8.462 -7.449 -10.400 144 HE3 LYS 14 HE3 LYS 14 7.484 -7.098 -8.983 145 HZ1 LYS 14 HZ1 LYS 14 10.314 -6.233 -9.372 146 HZ2 LYS 14 HZ2 LYS 14 9.344 -5.954 -8.020 147 HZ3 LYS 14 HZ3 LYS 14 8.932 -5.219 -9.428 148 H ILE 15 H ILE 15 4.090 -7.391 -5.302 149 HA ILE 15 HA ILE 15 2.582 -9.927 -5.392 150 HB ILE 15 HB ILE 15 2.787 -7.880 -3.209 151 HG12 ILE 15 HG12 ILE 15 2.286 -10.014 -1.871 152 HG13 ILE 15 HG13 ILE 15 2.415 -10.880 -3.390 153 HG21 ILE 15 HG21 ILE 15 0.232 -9.292 -3.944 154 HG22 ILE 15 HG22 ILE 15 0.472 -7.562 -3.653 155 HG23 ILE 15 HG23 ILE 15 0.562 -8.707 -2.318 156 HD11 ILE 15 HD11 ILE 15 4.726 -9.519 -3.543 157 HD12 ILE 15 HD12 ILE 15 4.588 -11.038 -2.669 158 HD13 ILE 15 HD13 ILE 15 4.537 -9.525 -1.785 159 H SER 16 H SER 16 0.448 -9.866 -6.108 160 HA SER 16 HA SER 16 -0.107 -7.880 -8.031 161 HB2 SER 16 HB2 SER 16 -2.496 -9.187 -7.659 162 HB3 SER 16 HB3 SER 16 -1.201 -9.747 -8.708 163 HG SER 16 HG SER 16 -2.111 -10.606 -6.259 164 H GLN 17 H GLN 17 -1.850 -6.346 -8.057 165 HA GLN 17 HA GLN 17 -1.930 -4.818 -5.692 166 HB2 GLN 17 HB2 GLN 17 -3.837 -3.519 -6.931 167 HB3 GLN 17 HB3 GLN 17 -2.203 -3.462 -7.571 168 HG2 GLN 17 HG2 GLN 17 -3.701 -3.861 -9.404 169 HG3 GLN 17 HG3 GLN 17 -2.853 -5.367 -9.149 170 HE21 GLN 17 HE21 GLN 17 -4.290 -7.094 -9.275 171 HE22 GLN 17 HE22 GLN 17 -5.893 -7.064 -8.704 172 H SER 18 H SER 18 -4.281 -7.074 -6.984 173 HA SER 18 HA SER 18 -6.410 -6.423 -5.337 174 HB2 SER 18 HB2 SER 18 -5.615 -9.140 -6.381 175 HB3 SER 18 HB3 SER 18 -7.192 -8.710 -5.739 176 HG SER 18 HG SER 18 -7.546 -8.199 -7.755 177 H GLU 19 H GLU 19 -3.683 -8.585 -4.797 178 HA GLU 19 HA GLU 19 -4.419 -9.894 -2.526 179 HB2 GLU 19 HB2 GLU 19 -1.822 -9.090 -3.736 180 HB3 GLU 19 HB3 GLU 19 -1.798 -9.632 -2.071 181 HG2 GLU 19 HG2 GLU 19 -1.467 -11.441 -3.740 182 HG3 GLU 19 HG3 GLU 19 -2.832 -11.720 -2.650 183 H LEU 20 H LEU 20 -2.676 -6.814 -2.587 184 HA LEU 20 HA LEU 20 -2.772 -6.625 0.275 185 HB2 LEU 20 HB2 LEU 20 -2.029 -4.251 -0.088 186 HB3 LEU 20 HB3 LEU 20 -0.972 -5.494 -0.759 187 HG LEU 20 HG LEU 20 -2.345 -5.119 -2.981 188 HD11 LEU 20 HD11 LEU 20 -3.914 -3.595 -2.935 189 HD12 LEU 20 HD12 LEU 20 -2.739 -2.346 -2.530 190 HD13 LEU 20 HD13 LEU 20 -3.591 -3.201 -1.250 191 HD21 LEU 20 HD21 LEU 20 -0.004 -4.485 -2.839 192 HD22 LEU 20 HD22 LEU 20 -0.416 -3.053 -1.879 193 HD23 LEU 20 HD23 LEU 20 -0.925 -3.145 -3.549 194 H ALA 21 H ALA 21 -4.606 -5.241 -2.315 195 HA ALA 21 HA ALA 21 -6.047 -3.393 -0.778 196 HB1 ALA 21 HB1 ALA 21 -7.515 -3.260 -2.870 197 HB2 ALA 21 HB2 ALA 21 -6.375 -4.404 -3.584 198 HB3 ALA 21 HB3 ALA 21 -5.822 -2.847 -2.990 199 H ALA 22 H ALA 22 -6.909 -6.661 -1.722 200 HA ALA 22 HA ALA 22 -9.663 -6.471 -1.349 201 HB1 ALA 22 HB1 ALA 22 -9.747 -8.847 -1.351 202 HB2 ALA 22 HB2 ALA 22 -8.068 -8.985 -0.854 203 HB3 ALA 22 HB3 ALA 22 -8.461 -8.381 -2.461 204 H LEU 23 H LEU 23 -7.239 -7.191 1.058 205 HA LEU 23 HA LEU 23 -9.050 -8.241 2.948 206 HB2 LEU 23 HB2 LEU 23 -6.202 -7.346 3.358 207 HB3 LEU 23 HB3 LEU 23 -7.162 -8.211 4.533 208 HG LEU 23 HG LEU 23 -6.112 -10.020 3.500 209 HD11 LEU 23 HD11 LEU 23 -7.634 -11.184 2.122 210 HD12 LEU 23 HD12 LEU 23 -8.448 -9.730 1.604 211 HD13 LEU 23 HD13 LEU 23 -8.585 -10.282 3.288 212 HD21 LEU 23 HD21 LEU 23 -6.443 -9.239 0.664 213 HD22 LEU 23 HD22 LEU 23 -5.066 -9.941 1.491 214 HD23 LEU 23 HD23 LEU 23 -5.342 -8.211 1.581 215 H LEU 24 H LEU 24 -8.114 -4.951 2.558 216 HA LEU 24 HA LEU 24 -8.321 -4.131 5.215 217 HB2 LEU 24 HB2 LEU 24 -8.959 -1.835 3.905 218 HB3 LEU 24 HB3 LEU 24 -7.325 -2.418 4.168 219 HG LEU 24 HG LEU 24 -8.869 -3.410 1.765 220 HD11 LEU 24 HD11 LEU 24 -8.854 -0.807 2.011 221 HD12 LEU 24 HD12 LEU 24 -8.498 -1.626 0.494 222 HD13 LEU 24 HD13 LEU 24 -7.161 -1.016 1.514 223 HD21 LEU 24 HD21 LEU 24 -6.185 -2.822 1.199 224 HD22 LEU 24 HD22 LEU 24 -6.872 -4.411 1.440 225 HD23 LEU 24 HD23 LEU 24 -6.132 -3.563 2.795 226 H GLU 25 H GLU 25 -10.870 -5.404 3.775 227 HA GLU 25 HA GLU 25 -13.099 -5.423 4.210 228 HB2 GLU 25 HB2 GLU 25 -12.343 -3.755 6.640 229 HB3 GLU 25 HB3 GLU 25 -13.859 -4.572 6.346 230 HG2 GLU 25 HG2 GLU 25 -12.811 -6.751 6.266 231 HG3 GLU 25 HG3 GLU 25 -11.211 -6.042 6.443 232 H VAL 26 H VAL 26 -12.173 -3.462 2.433 233 HA VAL 26 HA VAL 26 -14.526 -1.702 2.486 234 HB VAL 26 HB VAL 26 -13.233 0.034 1.260 235 HG11 VAL 26 HG11 VAL 26 -11.735 -0.455 3.811 236 HG12 VAL 26 HG12 VAL 26 -13.450 -0.005 3.844 237 HG13 VAL 26 HG13 VAL 26 -12.258 1.064 3.100 238 HG21 VAL 26 HG21 VAL 26 -11.434 -1.431 0.362 239 HG22 VAL 26 HG22 VAL 26 -10.816 -1.653 2.002 240 HG23 VAL 26 HG23 VAL 26 -10.766 -0.063 1.240 241 H SER 27 H SER 27 -15.188 -1.248 0.135 242 HA SER 27 HA SER 27 -14.844 -3.639 -1.356 243 HB2 SER 27 HB2 SER 27 -15.686 -0.923 -2.462 244 HB3 SER 27 HB3 SER 27 -16.009 -2.500 -3.141 245 HG SER 27 HG SER 27 -17.172 -2.982 -1.280 246 H ARG 28 H ARG 28 -13.216 -4.208 -2.575 247 HA ARG 28 HA ARG 28 -10.781 -2.872 -2.415 248 HB2 ARG 28 HB2 ARG 28 -11.157 -5.350 -2.824 249 HB3 ARG 28 HB3 ARG 28 -11.419 -4.952 -4.537 250 HG2 ARG 28 HG2 ARG 28 -9.137 -3.813 -4.487 251 HG3 ARG 28 HG3 ARG 28 -9.065 -4.384 -2.825 252 HD2 ARG 28 HD2 ARG 28 -7.852 -5.982 -4.185 253 HD3 ARG 28 HD3 ARG 28 -9.284 -6.702 -3.528 254 HE ARG 28 HE ARG 28 -10.192 -6.905 -5.640 255 HH11 ARG 28 HH11 ARG 28 -7.512 -4.670 -5.715 256 HH12 ARG 28 HH12 ARG 28 -7.224 -4.802 -7.390 257 HH21 ARG 28 HH21 ARG 28 -9.869 -7.045 -7.950 258 HH22 ARG 28 HH22 ARG 28 -8.624 -6.143 -8.677 259 H GLN 29 H GLN 29 -13.143 -3.014 -4.981 260 HA GLN 29 HA GLN 29 -11.812 -1.740 -7.042 261 HB2 GLN 29 HB2 GLN 29 -14.108 -0.827 -7.669 262 HB3 GLN 29 HB3 GLN 29 -14.022 -2.575 -7.443 263 HG2 GLN 29 HG2 GLN 29 -14.952 -2.395 -5.206 264 HG3 GLN 29 HG3 GLN 29 -14.946 -0.634 -5.281 265 HE21 GLN 29 HE21 GLN 29 -17.122 -0.038 -5.453 266 HE22 GLN 29 HE22 GLN 29 -18.206 -0.736 -6.539 267 H THR 30 H THR 30 -13.451 -0.314 -4.232 268 HA THR 30 HA THR 30 -13.040 2.352 -5.017 269 HB THR 30 HB THR 30 -13.165 2.374 -2.240 270 HG1 THR 30 HG1 THR 30 -13.532 0.080 -2.299 271 HG21 THR 30 HG21 THR 30 -14.422 3.735 -3.910 272 HG22 THR 30 HG22 THR 30 -15.437 3.103 -2.626 273 HG23 THR 30 HG23 THR 30 -15.451 2.357 -4.230 274 H ILE 31 H ILE 31 -11.163 0.225 -2.824 275 HA ILE 31 HA ILE 31 -9.294 2.287 -2.308 276 HB ILE 31 HB ILE 31 -9.690 -0.068 -1.102 277 HG12 ILE 31 HG12 ILE 31 -8.361 1.728 -0.178 278 HG13 ILE 31 HG13 ILE 31 -7.456 0.239 -0.034 279 HG21 ILE 31 HG21 ILE 31 -7.354 -0.627 -2.953 280 HG22 ILE 31 HG22 ILE 31 -8.901 -1.472 -2.921 281 HG23 ILE 31 HG23 ILE 31 -7.809 -1.566 -1.538 282 HD11 ILE 31 HD11 ILE 31 -6.421 0.925 -2.361 283 HD12 ILE 31 HD12 ILE 31 -5.821 1.623 -0.865 284 HD13 ILE 31 HD13 ILE 31 -6.930 2.541 -1.879 285 H ASN 32 H ASN 32 -9.431 -0.299 -4.694 286 HA ASN 32 HA ASN 32 -6.952 0.275 -5.954 287 HB2 ASN 32 HB2 ASN 32 -9.456 -1.138 -6.762 288 HB3 ASN 32 HB3 ASN 32 -8.381 -0.602 -8.038 289 HD21 ASN 32 HD21 ASN 32 -6.724 -2.000 -8.524 290 HD22 ASN 32 HD22 ASN 32 -6.139 -3.249 -7.539 291 H GLY 33 H GLY 33 -10.264 1.440 -6.453 292 HA2 GLY 33 HA2 GLY 33 -9.719 3.172 -8.615 293 HA3 GLY 33 HA3 GLY 33 -11.105 3.251 -7.550 294 H ILE 34 H ILE 34 -9.923 3.666 -5.108 295 HA ILE 34 HA ILE 34 -9.492 6.387 -5.257 296 HB ILE 34 HB ILE 34 -9.619 4.420 -3.044 297 HG12 ILE 34 HG12 ILE 34 -11.011 6.471 -2.162 298 HG13 ILE 34 HG13 ILE 34 -10.798 7.068 -3.813 299 HG21 ILE 34 HG21 ILE 34 -8.847 5.894 -1.361 300 HG22 ILE 34 HG22 ILE 34 -8.384 7.118 -2.551 301 HG23 ILE 34 HG23 ILE 34 -7.523 5.568 -2.475 302 HD11 ILE 34 HD11 ILE 34 -11.767 4.975 -4.691 303 HD12 ILE 34 HD12 ILE 34 -12.899 5.878 -3.699 304 HD13 ILE 34 HD13 ILE 34 -12.096 4.445 -3.041 305 H GLU 35 H GLU 35 -7.185 3.762 -4.760 306 HA GLU 35 HA GLU 35 -4.948 5.556 -4.684 307 HB2 GLU 35 HB2 GLU 35 -5.279 2.724 -4.547 308 HB3 GLU 35 HB3 GLU 35 -4.227 3.072 -5.922 309 HG2 GLU 35 HG2 GLU 35 -3.713 4.554 -3.380 310 HG3 GLU 35 HG3 GLU 35 -3.203 2.880 -3.419 311 H LYS 36 H LYS 36 -6.867 4.011 -7.120 312 HA LYS 36 HA LYS 36 -5.283 4.937 -9.318 313 HB2 LYS 36 HB2 LYS 36 -6.699 2.830 -9.378 314 HB3 LYS 36 HB3 LYS 36 -8.113 3.900 -9.500 315 HG2 LYS 36 HG2 LYS 36 -7.221 4.847 -11.575 316 HG3 LYS 36 HG3 LYS 36 -5.752 3.903 -11.399 317 HD2 LYS 36 HD2 LYS 36 -7.023 1.805 -11.628 318 HD3 LYS 36 HD3 LYS 36 -8.521 2.712 -11.688 319 HE2 LYS 36 HE2 LYS 36 -7.800 2.117 -13.966 320 HE3 LYS 36 HE3 LYS 36 -7.780 3.861 -13.739 321 HZ1 LYS 36 HZ1 LYS 36 -5.233 2.640 -13.066 322 HZ2 LYS 36 HZ2 LYS 36 -5.611 3.953 -14.034 323 HZ3 LYS 36 HZ3 LYS 36 -5.691 2.426 -14.678 324 H ASN 37 H ASN 37 -5.626 7.126 -7.902 325 HA ASN 37 HA ASN 37 -5.845 9.294 -8.866 326 HB2 ASN 37 HB2 ASN 37 -7.171 8.355 -10.799 327 HB3 ASN 37 HB3 ASN 37 -8.598 8.619 -9.751 328 HD21 ASN 37 HD21 ASN 37 -9.504 10.365 -11.057 329 HD22 ASN 37 HD22 ASN 37 -8.720 11.853 -11.196 330 H LYS 38 H LYS 38 -6.841 8.103 -6.198 331 HA LYS 38 HA LYS 38 -8.233 10.619 -5.539 332 HB2 LYS 38 HB2 LYS 38 -8.780 7.887 -4.399 333 HB3 LYS 38 HB3 LYS 38 -8.931 9.296 -3.394 334 HG2 LYS 38 HG2 LYS 38 -11.095 9.073 -4.301 335 HG3 LYS 38 HG3 LYS 38 -10.354 10.371 -5.213 336 HD2 LYS 38 HD2 LYS 38 -9.622 8.145 -6.728 337 HD3 LYS 38 HD3 LYS 38 -11.188 7.681 -6.107 338 HE2 LYS 38 HE2 LYS 38 -11.253 8.910 -8.303 339 HE3 LYS 38 HE3 LYS 38 -12.278 9.592 -7.043 340 HZ1 LYS 38 HZ1 LYS 38 -9.493 10.637 -7.468 341 HZ2 LYS 38 HZ2 LYS 38 -10.817 11.391 -6.730 342 HZ3 LYS 38 HZ3 LYS 38 -10.785 11.145 -8.388 343 H TYR 39 H TYR 39 -6.213 8.088 -4.065 344 HA TYR 39 HA TYR 39 -4.095 9.818 -3.607 345 HB2 TYR 39 HB2 TYR 39 -4.270 10.634 -1.469 346 HB3 TYR 39 HB3 TYR 39 -5.962 10.693 -1.908 347 HD1 TYR 39 HD1 TYR 39 -6.670 7.751 -1.698 348 HD2 TYR 39 HD2 TYR 39 -4.305 10.282 0.842 349 HE1 TYR 39 HE1 TYR 39 -7.170 6.283 0.226 350 HE2 TYR 39 HE2 TYR 39 -4.785 8.833 2.754 351 HH TYR 39 HH TYR 39 -5.931 7.095 3.481 352 H ASN 40 H ASN 40 -2.473 8.850 -2.069 353 HA ASN 40 HA ASN 40 -2.377 5.982 -2.402 354 HB2 ASN 40 HB2 ASN 40 -0.366 7.621 -2.497 355 HB3 ASN 40 HB3 ASN 40 -0.462 7.615 -0.737 356 HD21 ASN 40 HD21 ASN 40 -0.526 5.153 -3.396 357 HD22 ASN 40 HD22 ASN 40 0.522 4.086 -2.591 358 HA PRO 41 HA PRO 41 -4.602 5.017 1.216 359 HB2 PRO 41 HB2 PRO 41 -2.553 2.970 1.969 360 HB3 PRO 41 HB3 PRO 41 -4.282 2.820 1.692 361 HG2 PRO 41 HG2 PRO 41 -2.627 1.918 -0.102 362 HG3 PRO 41 HG3 PRO 41 -4.118 2.774 -0.572 363 HD2 PRO 41 HD2 PRO 41 -1.295 3.839 -0.525 364 HD3 PRO 41 HD3 PRO 41 -2.545 4.061 -1.767 365 H SER 42 H SER 42 -4.702 5.806 3.266 366 HA SER 42 HA SER 42 -2.551 7.288 4.411 367 HB2 SER 42 HB2 SER 42 -4.939 6.299 5.978 368 HB3 SER 42 HB3 SER 42 -4.031 7.791 6.140 369 HG SER 42 HG SER 42 -5.667 8.481 5.006 370 H LEU 43 H LEU 43 -1.662 6.773 6.625 371 HA LEU 43 HA LEU 43 -0.562 4.196 6.596 372 HB2 LEU 43 HB2 LEU 43 -0.490 6.438 8.583 373 HB3 LEU 43 HB3 LEU 43 0.045 4.834 9.081 374 HG LEU 43 HG LEU 43 1.720 4.724 7.377 375 HD11 LEU 43 HD11 LEU 43 0.622 5.570 5.451 376 HD12 LEU 43 HD12 LEU 43 1.998 6.615 5.740 377 HD13 LEU 43 HD13 LEU 43 0.385 7.164 6.185 378 HD21 LEU 43 HD21 LEU 43 1.590 7.182 9.039 379 HD22 LEU 43 HD22 LEU 43 2.707 7.255 7.672 380 HD23 LEU 43 HD23 LEU 43 2.875 5.981 8.858 381 H GLN 44 H GLN 44 -3.323 5.465 8.391 382 HA GLN 44 HA GLN 44 -3.790 3.139 9.955 383 HB2 GLN 44 HB2 GLN 44 -5.756 5.148 8.802 384 HB3 GLN 44 HB3 GLN 44 -6.208 3.866 9.912 385 HG2 GLN 44 HG2 GLN 44 -4.675 4.741 11.607 386 HG3 GLN 44 HG3 GLN 44 -4.133 6.003 10.521 387 HE21 GLN 44 HE21 GLN 44 -6.264 5.452 13.026 388 HE22 GLN 44 HE22 GLN 44 -7.375 6.682 12.700 389 H LEU 45 H LEU 45 -4.848 4.068 6.725 390 HA LEU 45 HA LEU 45 -6.192 1.629 6.117 391 HB2 LEU 45 HB2 LEU 45 -6.712 3.599 4.816 392 HB3 LEU 45 HB3 LEU 45 -5.025 3.772 4.330 393 HG LEU 45 HG LEU 45 -5.131 1.686 3.046 394 HD11 LEU 45 HD11 LEU 45 -7.613 1.301 4.586 395 HD12 LEU 45 HD12 LEU 45 -6.439 0.182 3.880 396 HD13 LEU 45 HD13 LEU 45 -7.681 0.885 2.848 397 HD21 LEU 45 HD21 LEU 45 -6.182 3.984 2.201 398 HD22 LEU 45 HD22 LEU 45 -7.687 3.081 2.284 399 HD23 LEU 45 HD23 LEU 45 -6.393 2.518 1.252 400 H ALA 46 H ALA 46 -2.951 2.839 5.523 401 HA ALA 46 HA ALA 46 -2.057 0.613 4.093 402 HB1 ALA 46 HB1 ALA 46 0.114 1.496 4.258 403 HB2 ALA 46 HB2 ALA 46 -0.286 2.371 5.753 404 HB3 ALA 46 HB3 ALA 46 -0.988 2.876 4.214 405 H LEU 47 H LEU 47 -2.377 1.160 7.526 406 HA LEU 47 HA LEU 47 -0.642 -0.877 8.466 407 HB2 LEU 47 HB2 LEU 47 -3.188 0.316 9.568 408 HB3 LEU 47 HB3 LEU 47 -2.381 -0.995 10.397 409 HG LEU 47 HG LEU 47 -0.871 1.526 9.624 410 HD11 LEU 47 HD11 LEU 47 -1.661 2.658 11.416 411 HD12 LEU 47 HD12 LEU 47 -1.722 1.230 12.442 412 HD13 LEU 47 HD13 LEU 47 -3.044 1.574 11.336 413 HD21 LEU 47 HD21 LEU 47 -0.390 -0.269 11.991 414 HD22 LEU 47 HD22 LEU 47 0.760 0.720 11.111 415 HD23 LEU 47 HD23 LEU 47 0.168 -0.799 10.420 416 H LYS 48 H LYS 48 -4.025 -0.936 7.464 417 HA LYS 48 HA LYS 48 -4.469 -3.714 7.942 418 HB2 LYS 48 HB2 LYS 48 -5.804 -1.758 6.063 419 HB3 LYS 48 HB3 LYS 48 -6.362 -3.406 6.354 420 HG2 LYS 48 HG2 LYS 48 -6.636 -2.935 8.749 421 HG3 LYS 48 HG3 LYS 48 -6.024 -1.300 8.519 422 HD2 LYS 48 HD2 LYS 48 -7.889 -0.804 6.989 423 HD3 LYS 48 HD3 LYS 48 -8.551 -2.411 7.228 424 HE2 LYS 48 HE2 LYS 48 -8.131 -0.309 9.377 425 HE3 LYS 48 HE3 LYS 48 -9.676 -0.780 8.684 426 HZ1 LYS 48 HZ1 LYS 48 -8.182 -2.060 10.757 427 HZ2 LYS 48 HZ2 LYS 48 -8.567 -3.168 9.526 428 HZ3 LYS 48 HZ3 LYS 48 -9.775 -2.257 10.284 429 H ILE 49 H ILE 49 -3.542 -1.817 5.127 430 HA ILE 49 HA ILE 49 -3.348 -3.953 3.282 431 HB ILE 49 HB ILE 49 -2.101 -1.206 3.340 432 HG12 ILE 49 HG12 ILE 49 -4.275 -2.319 1.575 433 HG13 ILE 49 HG13 ILE 49 -4.671 -1.494 3.071 434 HG21 ILE 49 HG21 ILE 49 -2.171 -2.128 0.684 435 HG22 ILE 49 HG22 ILE 49 -1.447 -3.439 1.607 436 HG23 ILE 49 HG23 ILE 49 -0.753 -1.822 1.673 437 HD11 ILE 49 HD11 ILE 49 -3.191 -0.351 0.683 438 HD12 ILE 49 HD12 ILE 49 -3.359 0.489 2.227 439 HD13 ILE 49 HD13 ILE 49 -4.789 0.106 1.266 440 H ALA 50 H ALA 50 -0.975 -2.350 5.318 441 HA ALA 50 HA ALA 50 1.354 -3.203 4.322 442 HB1 ALA 50 HB1 ALA 50 0.456 -2.330 6.951 443 HB2 ALA 50 HB2 ALA 50 1.921 -1.932 6.060 444 HB3 ALA 50 HB3 ALA 50 1.855 -3.396 7.036 445 H TYR 51 H TYR 51 -0.324 -5.008 6.874 446 HA TYR 51 HA TYR 51 1.513 -7.154 6.827 447 HB2 TYR 51 HB2 TYR 51 -1.291 -6.933 7.917 448 HB3 TYR 51 HB3 TYR 51 -0.354 -8.421 8.035 449 HD1 TYR 51 HD1 TYR 51 -0.406 -4.830 8.994 450 HD2 TYR 51 HD2 TYR 51 1.579 -8.618 9.468 451 HE1 TYR 51 HE1 TYR 51 0.911 -3.908 10.853 452 HE2 TYR 51 HE2 TYR 51 2.900 -7.693 11.325 453 HH TYR 51 HH TYR 51 2.145 -5.140 13.012 454 H TYR 52 H TYR 52 -1.581 -6.752 5.206 455 HA TYR 52 HA TYR 52 -1.411 -9.285 3.926 456 HB2 TYR 52 HB2 TYR 52 -3.166 -6.893 3.430 457 HB3 TYR 52 HB3 TYR 52 -3.214 -8.313 2.385 458 HD1 TYR 52 HD1 TYR 52 -3.368 -10.651 3.540 459 HD2 TYR 52 HD2 TYR 52 -4.433 -6.942 5.471 460 HE1 TYR 52 HE1 TYR 52 -4.690 -11.891 5.209 461 HE2 TYR 52 HE2 TYR 52 -5.745 -8.194 7.135 462 HH TYR 52 HH TYR 52 -5.551 -10.757 8.041 463 H LEU 53 H LEU 53 -0.193 -6.140 3.192 464 HA LEU 53 HA LEU 53 0.646 -6.890 0.549 465 HB2 LEU 53 HB2 LEU 53 0.381 -4.449 1.769 466 HB3 LEU 53 HB3 LEU 53 2.109 -4.708 1.928 467 HG LEU 53 HG LEU 53 0.510 -4.029 -0.433 468 HD11 LEU 53 HD11 LEU 53 2.314 -2.648 0.434 469 HD12 LEU 53 HD12 LEU 53 2.661 -3.163 -1.221 470 HD13 LEU 53 HD13 LEU 53 3.472 -3.942 0.132 471 HD21 LEU 53 HD21 LEU 53 2.487 -6.354 -0.635 472 HD22 LEU 53 HD22 LEU 53 2.140 -5.287 -1.977 473 HD23 LEU 53 HD23 LEU 53 0.856 -6.252 -1.316 474 H ASN 54 H ASN 54 1.484 -8.099 3.442 475 HA ASN 54 HA ASN 54 3.311 -9.172 4.289 476 HB2 ASN 54 HB2 ASN 54 4.045 -9.064 1.394 477 HB3 ASN 54 HB3 ASN 54 5.151 -9.715 2.579 478 HD21 ASN 54 HD21 ASN 54 3.397 -11.059 0.364 479 HD22 ASN 54 HD22 ASN 54 2.610 -12.304 1.184 480 H THR 55 H THR 55 3.186 -6.302 4.404 481 HA THR 55 HA THR 55 5.970 -5.837 4.901 482 HB THR 55 HB THR 55 4.700 -5.007 2.525 483 HG1 THR 55 HG1 THR 55 7.253 -4.260 3.583 484 HG21 THR 55 HG21 THR 55 5.386 -2.712 4.372 485 HG22 THR 55 HG22 THR 55 3.895 -2.989 3.474 486 HG23 THR 55 HG23 THR 55 5.358 -2.536 2.619 487 HA PRO 56 HA PRO 56 3.573 -4.117 8.337 488 HB2 PRO 56 HB2 PRO 56 6.340 -3.423 9.199 489 HB3 PRO 56 HB3 PRO 56 5.026 -4.189 10.114 490 HG2 PRO 56 HG2 PRO 56 7.041 -5.634 9.206 491 HG3 PRO 56 HG3 PRO 56 5.388 -6.272 9.162 492 HD2 PRO 56 HD2 PRO 56 7.064 -5.299 6.894 493 HD3 PRO 56 HD3 PRO 56 5.793 -6.537 6.933 494 H LEU 57 H LEU 57 3.111 -2.000 9.123 495 HA LEU 57 HA LEU 57 3.346 0.160 7.317 496 HB2 LEU 57 HB2 LEU 57 1.755 -0.210 9.327 497 HB3 LEU 57 HB3 LEU 57 3.021 0.518 10.304 498 HG LEU 57 HG LEU 57 1.428 2.233 9.646 499 HD11 LEU 57 HD11 LEU 57 4.040 2.604 9.513 500 HD12 LEU 57 HD12 LEU 57 2.908 3.833 8.988 501 HD13 LEU 57 HD13 LEU 57 3.692 2.810 7.793 502 HD21 LEU 57 HD21 LEU 57 2.070 1.969 6.740 503 HD22 LEU 57 HD22 LEU 57 0.616 2.547 7.544 504 HD23 LEU 57 HD23 LEU 57 0.912 0.815 7.422 505 H GLU 58 H GLU 58 5.179 -0.716 10.223 506 HA GLU 58 HA GLU 58 7.003 1.454 10.137 507 HB2 GLU 58 HB2 GLU 58 8.455 -0.707 11.165 508 HB3 GLU 58 HB3 GLU 58 7.543 0.474 12.087 509 HG2 GLU 58 HG2 GLU 58 6.228 -2.019 10.955 510 HG3 GLU 58 HG3 GLU 58 7.020 -2.001 12.508 511 H ASP 59 H ASP 59 6.669 -1.437 8.266 512 HA ASP 59 HA ASP 59 9.345 -1.552 7.302 513 HB2 ASP 59 HB2 ASP 59 7.751 -3.496 7.304 514 HB3 ASP 59 HB3 ASP 59 6.904 -2.732 5.959 515 H ILE 60 H ILE 60 6.445 0.074 6.269 516 HA ILE 60 HA ILE 60 7.847 1.129 3.908 517 HB ILE 60 HB ILE 60 5.738 2.146 3.273 518 HG12 ILE 60 HG12 ILE 60 4.552 0.852 5.753 519 HG13 ILE 60 HG13 ILE 60 4.876 2.585 5.635 520 HG21 ILE 60 HG21 ILE 60 6.279 -0.369 2.894 521 HG22 ILE 60 HG22 ILE 60 4.601 0.165 2.669 522 HG23 ILE 60 HG23 ILE 60 5.075 -0.640 4.156 523 HD11 ILE 60 HD11 ILE 60 2.831 2.800 4.723 524 HD12 ILE 60 HD12 ILE 60 2.652 1.054 4.587 525 HD13 ILE 60 HD13 ILE 60 3.444 1.956 3.299 526 H PHE 61 H PHE 61 6.812 2.033 7.091 527 HA PHE 61 HA PHE 61 7.300 4.847 6.586 528 HB2 PHE 61 HB2 PHE 61 5.507 3.893 8.167 529 HB3 PHE 61 HB3 PHE 61 6.819 3.622 9.297 530 HD1 PHE 61 HD1 PHE 61 4.941 6.196 7.415 531 HD2 PHE 61 HD2 PHE 61 7.961 5.494 10.399 532 HE1 PHE 61 HE1 PHE 61 4.869 8.587 8.066 533 HE2 PHE 61 HE2 PHE 61 7.879 7.875 11.032 534 HZ PHE 61 HZ PHE 61 6.337 9.428 9.872 535 H GLN 62 H GLN 62 9.454 4.707 5.951 536 HA GLN 62 HA GLN 62 11.310 4.854 8.218 537 HB2 GLN 62 HB2 GLN 62 12.845 3.895 5.998 538 HB3 GLN 62 HB3 GLN 62 12.540 3.095 7.522 539 HG2 GLN 62 HG2 GLN 62 10.479 2.089 6.637 540 HG3 GLN 62 HG3 GLN 62 10.707 2.933 5.108 541 HE21 GLN 62 HE21 GLN 62 10.947 -0.072 6.167 542 HE22 GLN 62 HE22 GLN 62 12.341 -0.605 5.365 543 H TRP 63 H TRP 63 12.916 6.465 7.892 544 HA TRP 63 HA TRP 63 11.995 8.521 6.177 545 HB2 TRP 63 HB2 TRP 63 13.798 8.407 8.407 546 HB3 TRP 63 HB3 TRP 63 14.580 9.277 7.111 547 HD1 TRP 63 HD1 TRP 63 12.016 9.741 9.726 548 HE1 TRP 63 HE1 TRP 63 10.731 11.928 9.338 549 HE3 TRP 63 HE3 TRP 63 13.594 10.852 5.000 550 HZ2 TRP 63 HZ2 TRP 63 10.419 13.908 7.286 551 HZ3 TRP 63 HZ3 TRP 63 12.798 12.882 3.856 552 HH2 TRP 63 HH2 TRP 63 11.206 14.422 4.993 553 H GLN 64 H GLN 64 12.300 6.682 4.486 554 HA GLN 64 HA GLN 64 14.807 7.116 3.012 555 HB2 GLN 64 HB2 GLN 64 12.555 5.434 1.940 556 HB3 GLN 64 HB3 GLN 64 14.279 5.299 1.666 557 HG2 GLN 64 HG2 GLN 64 13.461 4.940 4.507 558 HG3 GLN 64 HG3 GLN 64 12.919 3.686 3.401 559 HE21 GLN 64 HE21 GLN 64 14.483 2.316 4.686 560 HE22 GLN 64 HE22 GLN 64 16.124 2.335 4.256 561 HA PRO 65 HA PRO 65 11.320 8.930 0.080 562 HB2 PRO 65 HB2 PRO 65 9.493 9.946 2.192 563 HB3 PRO 65 HB3 PRO 65 9.105 9.213 0.628 564 HG2 PRO 65 HG2 PRO 65 8.707 7.850 2.826 565 HG3 PRO 65 HG3 PRO 65 9.412 7.044 1.411 566 HD2 PRO 65 HD2 PRO 65 10.806 8.052 3.862 567 HD3 PRO 65 HD3 PRO 65 11.027 6.502 2.999 568 H GLU 66 H GLU 66 11.700 11.036 -0.529 569 HA GLU 66 HA GLU 66 13.447 12.610 1.046 570 HB2 GLU 66 HB2 GLU 66 11.950 13.326 -1.489 571 HB3 GLU 66 HB3 GLU 66 13.265 14.252 -0.785 572 HG2 GLU 66 HG2 GLU 66 14.784 12.325 -0.984 573 HG3 GLU 66 HG3 GLU 66 13.489 11.359 -1.661 Start of MODEL 9 1 H1 MET 1 H1 MET 1 8.131 11.500 3.764 2 HA MET 1 HA MET 1 10.745 11.713 4.444 3 HB2 MET 1 HB2 MET 1 9.635 9.036 5.315 4 HB3 MET 1 HB3 MET 1 11.348 9.345 5.076 5 HG2 MET 1 HG2 MET 1 9.554 10.856 6.996 6 HG3 MET 1 HG3 MET 1 10.723 9.624 7.454 7 HE1 MET 1 HE1 MET 1 13.493 10.374 5.634 8 HE2 MET 1 HE2 MET 1 12.987 9.584 7.137 9 HE3 MET 1 HE3 MET 1 14.069 10.962 7.177 10 H ILE 2 H ILE 2 12.101 9.947 3.222 11 HA ILE 2 HA ILE 2 11.341 10.126 0.514 12 HB ILE 2 HB ILE 2 13.674 10.086 1.295 13 HG12 ILE 2 HG12 ILE 2 13.083 7.779 -0.593 14 HG13 ILE 2 HG13 ILE 2 13.060 9.476 -1.070 15 HG21 ILE 2 HG21 ILE 2 13.569 7.112 1.554 16 HG22 ILE 2 HG22 ILE 2 13.147 8.105 2.964 17 HG23 ILE 2 HG23 ILE 2 14.729 8.252 2.207 18 HD11 ILE 2 HD11 ILE 2 15.224 8.620 -1.635 19 HD12 ILE 2 HD12 ILE 2 15.417 7.889 -0.044 20 HD13 ILE 2 HD13 ILE 2 15.439 9.643 -0.208 21 H ILE 3 H ILE 3 10.909 7.613 2.903 22 HA ILE 3 HA ILE 3 10.001 5.716 0.851 23 HB ILE 3 HB ILE 3 10.224 5.322 3.835 24 HG12 ILE 3 HG12 ILE 3 12.410 5.950 2.809 25 HG13 ILE 3 HG13 ILE 3 12.423 4.296 3.393 26 HG21 ILE 3 HG21 ILE 3 10.512 2.873 2.914 27 HG22 ILE 3 HG22 ILE 3 9.812 3.517 1.446 28 HG23 ILE 3 HG23 ILE 3 8.894 3.569 2.947 29 HD11 ILE 3 HD11 ILE 3 13.439 4.324 1.269 30 HD12 ILE 3 HD12 ILE 3 12.102 5.198 0.521 31 HD13 ILE 3 HD13 ILE 3 11.882 3.526 1.079 32 H ASN 4 H ASN 4 7.895 5.654 0.354 33 HA ASN 4 HA ASN 4 5.857 5.481 2.258 34 HB2 ASN 4 HB2 ASN 4 6.447 8.064 2.164 35 HB3 ASN 4 HB3 ASN 4 5.516 8.006 0.674 36 HD21 ASN 4 HD21 ASN 4 5.059 8.819 3.782 37 HD22 ASN 4 HD22 ASN 4 3.468 8.310 4.020 38 H ASN 5 H ASN 5 3.665 5.780 1.041 39 HA ASN 5 HA ASN 5 2.276 5.154 -0.612 40 HB2 ASN 5 HB2 ASN 5 4.673 5.724 -2.373 41 HB3 ASN 5 HB3 ASN 5 3.137 5.174 -2.999 42 HD21 ASN 5 HD21 ASN 5 4.791 7.965 -1.770 43 HD22 ASN 5 HD22 ASN 5 3.477 9.025 -1.827 44 H LEU 6 H LEU 6 1.474 3.225 -0.913 45 HA LEU 6 HA LEU 6 2.936 0.892 -0.322 46 HB2 LEU 6 HB2 LEU 6 0.199 1.426 -1.415 47 HB3 LEU 6 HB3 LEU 6 0.815 -0.213 -1.427 48 HG LEU 6 HG LEU 6 -0.520 0.505 0.649 49 HD11 LEU 6 HD11 LEU 6 1.370 -0.600 2.140 50 HD12 LEU 6 HD12 LEU 6 2.138 -0.847 0.568 51 HD13 LEU 6 HD13 LEU 6 0.531 -1.504 0.879 52 HD21 LEU 6 HD21 LEU 6 2.128 1.731 1.499 53 HD22 LEU 6 HD22 LEU 6 0.573 1.815 2.313 54 HD23 LEU 6 HD23 LEU 6 0.832 2.719 0.831 55 H LYS 7 H LYS 7 1.869 2.209 -3.380 56 HA LYS 7 HA LYS 7 2.454 0.126 -5.051 57 HB2 LYS 7 HB2 LYS 7 3.019 1.996 -6.765 58 HB3 LYS 7 HB3 LYS 7 1.390 1.881 -6.111 59 HG2 LYS 7 HG2 LYS 7 2.796 3.555 -4.271 60 HG3 LYS 7 HG3 LYS 7 3.314 4.044 -5.873 61 HD2 LYS 7 HD2 LYS 7 1.016 4.299 -6.616 62 HD3 LYS 7 HD3 LYS 7 0.449 3.740 -5.032 63 HE2 LYS 7 HE2 LYS 7 1.424 5.666 -3.939 64 HE3 LYS 7 HE3 LYS 7 2.118 6.247 -5.469 65 HZ1 LYS 7 HZ1 LYS 7 -0.104 6.509 -6.302 66 HZ2 LYS 7 HZ2 LYS 7 0.046 7.369 -4.858 67 HZ3 LYS 7 HZ3 LYS 7 -0.787 5.862 -4.898 68 H LEU 8 H LEU 8 4.716 2.550 -3.839 69 HA LEU 8 HA LEU 8 6.925 1.743 -5.427 70 HB2 LEU 8 HB2 LEU 8 6.683 3.271 -2.833 71 HB3 LEU 8 HB3 LEU 8 8.255 2.799 -3.437 72 HG LEU 8 HG LEU 8 7.462 5.113 -4.127 73 HD11 LEU 8 HD11 LEU 8 8.289 3.075 -6.200 74 HD12 LEU 8 HD12 LEU 8 9.294 4.210 -5.292 75 HD13 LEU 8 HD13 LEU 8 8.192 4.805 -6.521 76 HD21 LEU 8 HD21 LEU 8 5.689 3.545 -6.050 77 HD22 LEU 8 HD22 LEU 8 5.886 5.292 -5.953 78 HD23 LEU 8 HD23 LEU 8 5.099 4.438 -4.638 79 H ILE 9 H ILE 9 5.906 0.843 -2.167 80 HA ILE 9 HA ILE 9 8.025 -1.040 -1.737 81 HB ILE 9 HB ILE 9 5.344 -0.866 -0.348 82 HG12 ILE 9 HG12 ILE 9 6.582 1.290 -0.175 83 HG13 ILE 9 HG13 ILE 9 6.573 0.424 1.350 84 HG21 ILE 9 HG21 ILE 9 7.617 -2.675 -0.084 85 HG22 ILE 9 HG22 ILE 9 6.066 -2.727 0.730 86 HG23 ILE 9 HG23 ILE 9 7.374 -1.766 1.399 87 HD11 ILE 9 HD11 ILE 9 8.873 0.769 -0.557 88 HD12 ILE 9 HD12 ILE 9 8.840 -0.599 0.561 89 HD13 ILE 9 HD13 ILE 9 8.806 1.042 1.187 90 H ARG 10 H ARG 10 4.676 -1.268 -2.724 91 HA ARG 10 HA ARG 10 4.364 -3.955 -2.416 92 HB2 ARG 10 HB2 ARG 10 2.647 -2.073 -3.063 93 HB3 ARG 10 HB3 ARG 10 2.940 -2.687 -4.704 94 HG2 ARG 10 HG2 ARG 10 2.585 -4.900 -2.873 95 HG3 ARG 10 HG3 ARG 10 1.232 -3.775 -2.729 96 HD2 ARG 10 HD2 ARG 10 2.287 -4.867 -5.331 97 HD3 ARG 10 HD3 ARG 10 0.900 -5.524 -4.469 98 HE ARG 10 HE ARG 10 0.402 -2.810 -4.828 99 HH11 ARG 10 HH11 ARG 10 1.041 -5.637 -6.742 100 HH12 ARG 10 HH12 ARG 10 0.137 -5.119 -8.103 101 HH21 ARG 10 HH21 ARG 10 -0.832 -2.096 -6.621 102 HH22 ARG 10 HH22 ARG 10 -0.950 -3.057 -8.025 103 H GLU 11 H GLU 11 5.453 -2.294 -5.360 104 HA GLU 11 HA GLU 11 5.444 -4.533 -7.029 105 HB2 GLU 11 HB2 GLU 11 7.206 -3.330 -8.351 106 HB3 GLU 11 HB3 GLU 11 5.780 -2.329 -8.048 107 HG2 GLU 11 HG2 GLU 11 7.006 -1.247 -6.202 108 HG3 GLU 11 HG3 GLU 11 8.375 -2.319 -6.545 109 H LYS 12 H LYS 12 7.772 -3.460 -4.711 110 HA LYS 12 HA LYS 12 9.965 -4.953 -5.610 111 HB2 LYS 12 HB2 LYS 12 9.421 -4.162 -2.734 112 HB3 LYS 12 HB3 LYS 12 10.986 -4.469 -3.490 113 HG2 LYS 12 HG2 LYS 12 9.084 -2.225 -4.225 114 HG3 LYS 12 HG3 LYS 12 10.625 -2.072 -3.395 115 HD2 LYS 12 HD2 LYS 12 11.855 -2.802 -5.318 116 HD3 LYS 12 HD3 LYS 12 10.390 -3.273 -6.179 117 HE2 LYS 12 HE2 LYS 12 9.639 -0.917 -6.095 118 HE3 LYS 12 HE3 LYS 12 11.131 -0.475 -5.380 119 HZ1 LYS 12 HZ1 LYS 12 10.536 -0.951 -8.054 120 HZ2 LYS 12 HZ2 LYS 12 11.744 -2.041 -7.640 121 HZ3 LYS 12 HZ3 LYS 12 12.040 -0.380 -7.432 122 H LYS 13 H LYS 13 7.372 -5.847 -3.502 123 HA LYS 13 HA LYS 13 8.545 -8.523 -3.186 124 HB2 LYS 13 HB2 LYS 13 6.521 -8.853 -1.646 125 HB3 LYS 13 HB3 LYS 13 7.794 -7.750 -1.124 126 HG2 LYS 13 HG2 LYS 13 6.533 -5.804 -1.791 127 HG3 LYS 13 HG3 LYS 13 5.313 -6.790 -2.573 128 HD2 LYS 13 HD2 LYS 13 4.174 -6.834 -0.647 129 HD3 LYS 13 HD3 LYS 13 5.458 -7.789 0.076 130 HE2 LYS 13 HE2 LYS 13 5.480 -4.768 -0.075 131 HE3 LYS 13 HE3 LYS 13 4.885 -5.686 1.283 132 HZ1 LYS 13 HZ1 LYS 13 7.270 -6.831 1.043 133 HZ2 LYS 13 HZ2 LYS 13 7.009 -5.441 1.947 134 HZ3 LYS 13 HZ3 LYS 13 7.652 -5.303 0.410 135 H LYS 14 H LYS 14 7.004 -7.091 -5.514 136 HA LYS 14 HA LYS 14 5.642 -7.707 -7.242 137 HB2 LYS 14 HB2 LYS 14 6.602 -10.452 -6.523 138 HB3 LYS 14 HB3 LYS 14 6.088 -9.911 -8.114 139 HG2 LYS 14 HG2 LYS 14 8.554 -8.979 -6.586 140 HG3 LYS 14 HG3 LYS 14 8.552 -9.953 -8.042 141 HD2 LYS 14 HD2 LYS 14 7.134 -7.319 -8.370 142 HD3 LYS 14 HD3 LYS 14 8.813 -7.242 -7.936 143 HE2 LYS 14 HE2 LYS 14 8.693 -7.261 -10.307 144 HE3 LYS 14 HE3 LYS 14 9.408 -8.783 -9.794 145 HZ1 LYS 14 HZ1 LYS 14 6.485 -8.603 -10.174 146 HZ2 LYS 14 HZ2 LYS 14 7.477 -9.951 -10.340 147 HZ3 LYS 14 HZ3 LYS 14 7.473 -8.739 -11.521 148 H ILE 15 H ILE 15 4.183 -7.553 -4.800 149 HA ILE 15 HA ILE 15 2.282 -9.756 -5.043 150 HB ILE 15 HB ILE 15 2.619 -7.563 -3.007 151 HG12 ILE 15 HG12 ILE 15 1.773 -10.001 -1.885 152 HG13 ILE 15 HG13 ILE 15 2.831 -10.488 -3.188 153 HG21 ILE 15 HG21 ILE 15 0.088 -8.970 -3.736 154 HG22 ILE 15 HG22 ILE 15 0.312 -7.249 -3.396 155 HG23 ILE 15 HG23 ILE 15 0.369 -8.431 -2.085 156 HD11 ILE 15 HD11 ILE 15 4.305 -10.210 -1.420 157 HD12 ILE 15 HD12 ILE 15 3.453 -8.795 -0.788 158 HD13 ILE 15 HD13 ILE 15 4.437 -8.689 -2.275 159 H SER 16 H SER 16 0.381 -9.705 -5.972 160 HA SER 16 HA SER 16 0.015 -7.568 -7.871 161 HB2 SER 16 HB2 SER 16 -1.890 -9.831 -7.768 162 HB3 SER 16 HB3 SER 16 -1.065 -9.108 -9.142 163 HG SER 16 HG SER 16 -0.051 -10.787 -7.114 164 H GLN 17 H GLN 17 -2.299 -6.939 -8.359 165 HA GLN 17 HA GLN 17 -3.432 -5.525 -6.207 166 HB2 GLN 17 HB2 GLN 17 -4.693 -6.404 -8.828 167 HB3 GLN 17 HB3 GLN 17 -5.403 -5.253 -7.704 168 HG2 GLN 17 HG2 GLN 17 -2.642 -4.850 -8.865 169 HG3 GLN 17 HG3 GLN 17 -4.088 -4.261 -9.674 170 HE21 GLN 17 HE21 GLN 17 -4.746 -2.192 -9.052 171 HE22 GLN 17 HE22 GLN 17 -4.289 -1.426 -7.617 172 H SER 18 H SER 18 -4.140 -8.688 -7.551 173 HA SER 18 HA SER 18 -6.582 -9.154 -6.323 174 HB2 SER 18 HB2 SER 18 -5.680 -11.653 -6.555 175 HB3 SER 18 HB3 SER 18 -6.244 -10.709 -7.922 176 HG SER 18 HG SER 18 -3.561 -11.137 -6.995 177 H GLU 19 H GLU 19 -3.327 -9.861 -5.113 178 HA GLU 19 HA GLU 19 -4.112 -11.391 -2.894 179 HB2 GLU 19 HB2 GLU 19 -1.682 -9.710 -3.419 180 HB3 GLU 19 HB3 GLU 19 -1.827 -10.713 -1.992 181 HG2 GLU 19 HG2 GLU 19 -0.673 -12.077 -3.473 182 HG3 GLU 19 HG3 GLU 19 -2.326 -12.649 -3.709 183 H LEU 20 H LEU 20 -2.954 -8.105 -2.896 184 HA LEU 20 HA LEU 20 -3.581 -7.623 -0.186 185 HB2 LEU 20 HB2 LEU 20 -3.042 -5.238 -0.760 186 HB3 LEU 20 HB3 LEU 20 -1.782 -6.425 -1.048 187 HG LEU 20 HG LEU 20 -2.779 -6.531 -3.508 188 HD11 LEU 20 HD11 LEU 20 -4.420 -4.480 -2.319 189 HD12 LEU 20 HD12 LEU 20 -4.507 -5.254 -3.902 190 HD13 LEU 20 HD13 LEU 20 -3.493 -3.843 -3.683 191 HD21 LEU 20 HD21 LEU 20 -1.445 -3.937 -2.764 192 HD22 LEU 20 HD22 LEU 20 -1.276 -4.902 -4.227 193 HD23 LEU 20 HD23 LEU 20 -0.566 -5.475 -2.710 194 H ALA 21 H ALA 21 -5.263 -6.721 -3.080 195 HA ALA 21 HA ALA 21 -6.655 -4.589 -2.506 196 HB1 ALA 21 HB1 ALA 21 -7.360 -5.149 -4.515 197 HB2 ALA 21 HB2 ALA 21 -8.650 -6.051 -3.674 198 HB3 ALA 21 HB3 ALA 21 -7.188 -6.875 -4.166 199 H ALA 22 H ALA 22 -8.271 -7.658 -1.806 200 HA ALA 22 HA ALA 22 -10.454 -6.459 -0.555 201 HB1 ALA 22 HB1 ALA 22 -9.435 -9.272 -0.159 202 HB2 ALA 22 HB2 ALA 22 -10.540 -8.742 -1.432 203 HB3 ALA 22 HB3 ALA 22 -11.049 -8.694 0.259 204 H LEU 23 H LEU 23 -7.415 -7.391 0.694 205 HA LEU 23 HA LEU 23 -8.048 -7.885 3.342 206 HB2 LEU 23 HB2 LEU 23 -5.401 -6.851 2.344 207 HB3 LEU 23 HB3 LEU 23 -5.694 -7.793 3.809 208 HG LEU 23 HG LEU 23 -6.107 -8.725 0.946 209 HD11 LEU 23 HD11 LEU 23 -4.349 -9.968 3.025 210 HD12 LEU 23 HD12 LEU 23 -3.768 -8.702 1.934 211 HD13 LEU 23 HD13 LEU 23 -4.365 -10.226 1.287 212 HD21 LEU 23 HD21 LEU 23 -7.902 -9.693 2.171 213 HD22 LEU 23 HD22 LEU 23 -6.894 -10.002 3.587 214 HD23 LEU 23 HD23 LEU 23 -6.664 -10.937 2.108 215 H LEU 24 H LEU 24 -7.331 -4.778 1.900 216 HA LEU 24 HA LEU 24 -6.736 -3.479 4.346 217 HB2 LEU 24 HB2 LEU 24 -7.483 -1.371 2.887 218 HB3 LEU 24 HB3 LEU 24 -5.918 -2.126 2.714 219 HG LEU 24 HG LEU 24 -8.235 -3.152 1.024 220 HD11 LEU 24 HD11 LEU 24 -8.424 -1.384 -0.167 221 HD12 LEU 24 HD12 LEU 24 -6.675 -1.290 -0.392 222 HD13 LEU 24 HD13 LEU 24 -7.434 -0.481 0.993 223 HD21 LEU 24 HD21 LEU 24 -5.317 -2.770 0.379 224 HD22 LEU 24 HD22 LEU 24 -6.484 -3.753 -0.479 225 HD23 LEU 24 HD23 LEU 24 -5.899 -4.265 1.115 226 H GLU 25 H GLU 25 -9.670 -4.630 3.380 227 HA GLU 25 HA GLU 25 -11.804 -4.328 4.036 228 HB2 GLU 25 HB2 GLU 25 -10.424 -3.210 6.478 229 HB3 GLU 25 HB3 GLU 25 -12.160 -3.504 6.382 230 HG2 GLU 25 HG2 GLU 25 -11.738 -5.860 5.803 231 HG3 GLU 25 HG3 GLU 25 -10.008 -5.596 5.975 232 H VAL 26 H VAL 26 -11.074 -2.499 2.258 233 HA VAL 26 HA VAL 26 -13.064 -0.465 2.837 234 HB VAL 26 HB VAL 26 -11.794 1.201 1.456 235 HG11 VAL 26 HG11 VAL 26 -10.217 1.881 3.193 236 HG12 VAL 26 HG12 VAL 26 -10.300 0.281 3.936 237 HG13 VAL 26 HG13 VAL 26 -11.721 1.328 3.918 238 HG21 VAL 26 HG21 VAL 26 -9.386 0.846 1.089 239 HG22 VAL 26 HG22 VAL 26 -10.316 -0.438 0.312 240 HG23 VAL 26 HG23 VAL 26 -9.497 -0.742 1.845 241 H SER 27 H SER 27 -14.051 0.242 0.658 242 HA SER 27 HA SER 27 -14.568 -2.071 -0.807 243 HB2 SER 27 HB2 SER 27 -15.110 -0.081 -2.611 244 HB3 SER 27 HB3 SER 27 -16.192 -0.556 -1.316 245 HG SER 27 HG SER 27 -14.383 1.559 -1.548 246 H ARG 28 H ARG 28 -13.409 -3.121 -2.305 247 HA ARG 28 HA ARG 28 -10.733 -2.436 -2.856 248 HB2 ARG 28 HB2 ARG 28 -11.610 -4.744 -2.986 249 HB3 ARG 28 HB3 ARG 28 -12.521 -4.301 -4.447 250 HG2 ARG 28 HG2 ARG 28 -10.232 -3.556 -5.405 251 HG3 ARG 28 HG3 ARG 28 -9.569 -4.288 -3.999 252 HD2 ARG 28 HD2 ARG 28 -10.580 -6.483 -4.520 253 HD3 ARG 28 HD3 ARG 28 -11.284 -5.831 -5.978 254 HE ARG 28 HE ARG 28 -8.604 -6.700 -5.611 255 HH11 ARG 28 HH11 ARG 28 -10.587 -4.301 -7.214 256 HH12 ARG 28 HH12 ARG 28 -9.538 -4.085 -8.536 257 HH21 ARG 28 HH21 ARG 28 -7.168 -6.414 -7.443 258 HH22 ARG 28 HH22 ARG 28 -7.595 -5.308 -8.676 259 H GLN 29 H GLN 29 -13.652 -2.215 -4.681 260 HA GLN 29 HA GLN 29 -12.673 -1.444 -7.162 261 HB2 GLN 29 HB2 GLN 29 -15.270 -0.486 -5.946 262 HB3 GLN 29 HB3 GLN 29 -14.891 -0.740 -7.650 263 HG2 GLN 29 HG2 GLN 29 -14.444 -3.179 -7.092 264 HG3 GLN 29 HG3 GLN 29 -15.029 -2.804 -5.503 265 HE21 GLN 29 HE21 GLN 29 -17.041 -3.839 -5.392 266 HE22 GLN 29 HE22 GLN 29 -18.317 -3.540 -6.460 267 H THR 30 H THR 30 -13.678 0.463 -4.409 268 HA THR 30 HA THR 30 -13.108 2.969 -5.613 269 HB THR 30 HB THR 30 -13.325 3.797 -3.272 270 HG1 THR 30 HG1 THR 30 -12.603 1.934 -2.145 271 HG21 THR 30 HG21 THR 30 -15.222 3.295 -4.945 272 HG22 THR 30 HG22 THR 30 -15.666 3.494 -3.252 273 HG23 THR 30 HG23 THR 30 -15.538 1.876 -3.972 274 H ILE 31 H ILE 31 -11.292 0.774 -3.449 275 HA ILE 31 HA ILE 31 -9.173 2.631 -3.160 276 HB ILE 31 HB ILE 31 -9.710 0.397 -1.786 277 HG12 ILE 31 HG12 ILE 31 -8.108 2.126 -1.086 278 HG13 ILE 31 HG13 ILE 31 -7.406 0.568 -0.857 279 HG21 ILE 31 HG21 ILE 31 -8.012 -1.346 -2.276 280 HG22 ILE 31 HG22 ILE 31 -7.580 -0.531 -3.756 281 HG23 ILE 31 HG23 ILE 31 -9.193 -1.203 -3.556 282 HD11 ILE 31 HD11 ILE 31 -6.495 0.957 -3.365 283 HD12 ILE 31 HD12 ILE 31 -5.638 1.520 -1.942 284 HD13 ILE 31 HD13 ILE 31 -6.636 2.632 -2.858 285 H ASN 32 H ASN 32 -9.638 -0.055 -5.421 286 HA ASN 32 HA ASN 32 -7.136 0.428 -6.675 287 HB2 ASN 32 HB2 ASN 32 -7.909 -0.928 -8.575 288 HB3 ASN 32 HB3 ASN 32 -8.238 -1.732 -7.053 289 HD21 ASN 32 HD21 ASN 32 -10.026 0.697 -9.121 290 HD22 ASN 32 HD22 ASN 32 -11.472 -0.159 -9.051 291 H GLY 33 H GLY 33 -10.344 1.729 -7.148 292 HA2 GLY 33 HA2 GLY 33 -9.742 3.288 -9.447 293 HA3 GLY 33 HA3 GLY 33 -11.063 3.558 -8.319 294 H ILE 34 H ILE 34 -9.843 4.085 -5.950 295 HA ILE 34 HA ILE 34 -9.038 6.718 -6.379 296 HB ILE 34 HB ILE 34 -9.512 5.076 -3.974 297 HG12 ILE 34 HG12 ILE 34 -10.691 7.324 -3.388 298 HG13 ILE 34 HG13 ILE 34 -10.218 7.810 -5.012 299 HG21 ILE 34 HG21 ILE 34 -8.119 7.697 -3.512 300 HG22 ILE 34 HG22 ILE 34 -7.179 6.191 -3.614 301 HG23 ILE 34 HG23 ILE 34 -8.432 6.361 -2.427 302 HD11 ILE 34 HD11 ILE 34 -12.514 6.886 -4.926 303 HD12 ILE 34 HD12 ILE 34 -11.847 5.330 -4.429 304 HD13 ILE 34 HD13 ILE 34 -11.449 6.013 -6.017 305 H GLU 35 H GLU 35 -7.066 3.924 -5.474 306 HA GLU 35 HA GLU 35 -4.661 5.415 -5.305 307 HB2 GLU 35 HB2 GLU 35 -5.377 2.633 -5.170 308 HB3 GLU 35 HB3 GLU 35 -4.070 2.813 -6.337 309 HG2 GLU 35 HG2 GLU 35 -3.937 4.196 -3.665 310 HG3 GLU 35 HG3 GLU 35 -3.414 2.531 -3.821 311 H LYS 36 H LYS 36 -6.719 4.700 -7.825 312 HA LYS 36 HA LYS 36 -4.722 5.021 -9.902 313 HB2 LYS 36 HB2 LYS 36 -6.753 3.391 -9.984 314 HB3 LYS 36 HB3 LYS 36 -7.665 4.829 -10.460 315 HG2 LYS 36 HG2 LYS 36 -6.154 5.221 -12.313 316 HG3 LYS 36 HG3 LYS 36 -5.120 3.887 -11.806 317 HD2 LYS 36 HD2 LYS 36 -6.992 2.293 -12.185 318 HD3 LYS 36 HD3 LYS 36 -8.026 3.624 -12.667 319 HE2 LYS 36 HE2 LYS 36 -7.124 2.537 -14.651 320 HE3 LYS 36 HE3 LYS 36 -6.478 4.171 -14.526 321 HZ1 LYS 36 HZ1 LYS 36 -4.807 2.391 -15.028 322 HZ2 LYS 36 HZ2 LYS 36 -5.028 1.792 -13.465 323 HZ3 LYS 36 HZ3 LYS 36 -4.437 3.360 -13.713 324 H ASN 37 H ASN 37 -4.677 7.225 -8.426 325 HA ASN 37 HA ASN 37 -4.292 9.379 -9.323 326 HB2 ASN 37 HB2 ASN 37 -5.588 8.797 -11.423 327 HB3 ASN 37 HB3 ASN 37 -7.020 9.344 -10.511 328 HD21 ASN 37 HD21 ASN 37 -7.116 11.092 -12.278 329 HD22 ASN 37 HD22 ASN 37 -6.149 12.465 -12.082 330 H LYS 38 H LYS 38 -6.190 8.274 -6.957 331 HA LYS 38 HA LYS 38 -7.066 11.023 -6.289 332 HB2 LYS 38 HB2 LYS 38 -8.373 8.395 -5.708 333 HB3 LYS 38 HB3 LYS 38 -8.686 9.804 -4.701 334 HG2 LYS 38 HG2 LYS 38 -10.054 10.732 -6.238 335 HG3 LYS 38 HG3 LYS 38 -8.816 10.638 -7.476 336 HD2 LYS 38 HD2 LYS 38 -9.479 8.136 -7.646 337 HD3 LYS 38 HD3 LYS 38 -10.994 8.621 -6.849 338 HE2 LYS 38 HE2 LYS 38 -9.837 9.523 -9.504 339 HE3 LYS 38 HE3 LYS 38 -11.382 8.752 -9.198 340 HZ1 LYS 38 HZ1 LYS 38 -10.609 11.559 -8.769 341 HZ2 LYS 38 HZ2 LYS 38 -11.792 10.881 -7.752 342 HZ3 LYS 38 HZ3 LYS 38 -12.007 10.889 -9.421 343 H TYR 39 H TYR 39 -6.013 8.024 -4.612 344 HA TYR 39 HA TYR 39 -3.921 9.429 -3.409 345 HB2 TYR 39 HB2 TYR 39 -4.570 9.425 -1.036 346 HB3 TYR 39 HB3 TYR 39 -5.565 10.516 -1.974 347 HD1 TYR 39 HD1 TYR 39 -5.461 7.102 -0.474 348 HD2 TYR 39 HD2 TYR 39 -7.953 10.249 -2.002 349 HE1 TYR 39 HE1 TYR 39 -7.446 5.960 0.424 350 HE2 TYR 39 HE2 TYR 39 -9.945 9.086 -1.108 351 HH TYR 39 HH TYR 39 -9.978 7.068 1.150 352 H ASN 40 H ASN 40 -2.704 8.256 -1.838 353 HA ASN 40 HA ASN 40 -2.748 5.365 -2.307 354 HB2 ASN 40 HB2 ASN 40 -0.550 6.394 -2.410 355 HB3 ASN 40 HB3 ASN 40 -0.797 7.181 -0.855 356 HD21 ASN 40 HD21 ASN 40 -1.199 5.514 1.059 357 HD22 ASN 40 HD22 ASN 40 -0.283 4.109 0.999 358 HA PRO 41 HA PRO 41 -5.019 4.536 1.379 359 HB2 PRO 41 HB2 PRO 41 -2.941 2.510 2.043 360 HB3 PRO 41 HB3 PRO 41 -4.707 2.350 1.994 361 HG2 PRO 41 HG2 PRO 41 -3.258 1.375 0.030 362 HG3 PRO 41 HG3 PRO 41 -4.796 2.211 -0.270 363 HD2 PRO 41 HD2 PRO 41 -2.024 3.180 -0.804 364 HD3 PRO 41 HD3 PRO 41 -3.541 3.536 -1.658 365 H SER 42 H SER 42 -5.073 5.178 3.521 366 HA SER 42 HA SER 42 -2.985 6.758 4.616 367 HB2 SER 42 HB2 SER 42 -5.212 5.546 6.245 368 HB3 SER 42 HB3 SER 42 -4.462 7.117 6.398 369 HG SER 42 HG SER 42 -5.362 7.426 4.147 370 H LEU 43 H LEU 43 -1.953 6.243 6.749 371 HA LEU 43 HA LEU 43 -0.618 3.760 6.627 372 HB2 LEU 43 HB2 LEU 43 -0.805 5.905 8.725 373 HB3 LEU 43 HB3 LEU 43 -0.064 4.364 9.117 374 HG LEU 43 HG LEU 43 1.576 4.589 7.337 375 HD11 LEU 43 HD11 LEU 43 -0.120 6.922 6.487 376 HD12 LEU 43 HD12 LEU 43 0.506 5.561 5.538 377 HD13 LEU 43 HD13 LEU 43 1.593 6.827 6.076 378 HD21 LEU 43 HD21 LEU 43 2.805 6.526 8.116 379 HD22 LEU 43 HD22 LEU 43 1.982 5.819 9.503 380 HD23 LEU 43 HD23 LEU 43 1.341 7.274 8.739 381 H GLN 44 H GLN 44 -3.364 4.798 8.559 382 HA GLN 44 HA GLN 44 -3.644 2.404 10.086 383 HB2 GLN 44 HB2 GLN 44 -5.938 4.184 9.216 384 HB3 GLN 44 HB3 GLN 44 -5.802 3.206 10.669 385 HG2 GLN 44 HG2 GLN 44 -5.317 5.331 11.494 386 HG3 GLN 44 HG3 GLN 44 -3.711 4.697 11.202 387 HE21 GLN 44 HE21 GLN 44 -3.868 7.439 11.203 388 HE22 GLN 44 HE22 GLN 44 -3.791 8.039 9.621 389 H LEU 45 H LEU 45 -5.065 3.533 7.092 390 HA LEU 45 HA LEU 45 -6.564 1.201 6.441 391 HB2 LEU 45 HB2 LEU 45 -7.056 3.305 5.355 392 HB3 LEU 45 HB3 LEU 45 -5.419 3.403 4.713 393 HG LEU 45 HG LEU 45 -5.812 1.409 3.317 394 HD11 LEU 45 HD11 LEU 45 -8.190 0.591 3.200 395 HD12 LEU 45 HD12 LEU 45 -8.426 1.361 4.784 396 HD13 LEU 45 HD13 LEU 45 -7.203 0.085 4.569 397 HD21 LEU 45 HD21 LEU 45 -7.287 2.401 1.736 398 HD22 LEU 45 HD22 LEU 45 -6.605 3.780 2.596 399 HD23 LEU 45 HD23 LEU 45 -8.224 3.209 2.984 400 H ALA 46 H ALA 46 -3.369 2.354 5.515 401 HA ALA 46 HA ALA 46 -2.727 0.169 3.880 402 HB1 ALA 46 HB1 ALA 46 -1.644 2.369 3.767 403 HB2 ALA 46 HB2 ALA 46 -0.497 1.016 3.867 404 HB3 ALA 46 HB3 ALA 46 -0.820 2.016 5.294 405 H LEU 47 H LEU 47 -2.499 0.701 7.311 406 HA LEU 47 HA LEU 47 -0.517 -1.149 7.879 407 HB2 LEU 47 HB2 LEU 47 -1.424 0.420 9.576 408 HB3 LEU 47 HB3 LEU 47 -2.937 -0.474 9.578 409 HG LEU 47 HG LEU 47 -1.804 -2.489 10.394 410 HD11 LEU 47 HD11 LEU 47 0.735 -1.717 11.197 411 HD12 LEU 47 HD12 LEU 47 0.590 -0.923 9.642 412 HD13 LEU 47 HD13 LEU 47 0.376 -2.669 9.758 413 HD21 LEU 47 HD21 LEU 47 -1.779 -1.760 12.576 414 HD22 LEU 47 HD22 LEU 47 -2.322 -0.235 11.881 415 HD23 LEU 47 HD23 LEU 47 -0.624 -0.475 12.238 416 H LYS 48 H LYS 48 -3.994 -1.611 7.458 417 HA LYS 48 HA LYS 48 -4.027 -4.394 8.051 418 HB2 LYS 48 HB2 LYS 48 -5.798 -2.752 6.232 419 HB3 LYS 48 HB3 LYS 48 -6.084 -4.442 6.635 420 HG2 LYS 48 HG2 LYS 48 -6.206 -3.846 9.045 421 HG3 LYS 48 HG3 LYS 48 -5.962 -2.150 8.625 422 HD2 LYS 48 HD2 LYS 48 -7.985 -2.183 7.236 423 HD3 LYS 48 HD3 LYS 48 -8.260 -3.870 7.648 424 HE2 LYS 48 HE2 LYS 48 -8.458 -3.235 10.054 425 HE3 LYS 48 HE3 LYS 48 -8.230 -1.544 9.607 426 HZ1 LYS 48 HZ1 LYS 48 -10.216 -1.747 8.171 427 HZ2 LYS 48 HZ2 LYS 48 -10.551 -2.007 9.806 428 HZ3 LYS 48 HZ3 LYS 48 -10.429 -3.339 8.756 429 H ILE 49 H ILE 49 -3.596 -2.586 5.001 430 HA ILE 49 HA ILE 49 -3.299 -4.976 3.462 431 HB ILE 49 HB ILE 49 -3.885 -2.540 2.619 432 HG12 ILE 49 HG12 ILE 49 -2.130 -4.524 1.148 433 HG13 ILE 49 HG13 ILE 49 -3.887 -4.447 1.095 434 HG21 ILE 49 HG21 ILE 49 -1.972 -1.351 1.639 435 HG22 ILE 49 HG22 ILE 49 -0.865 -2.565 2.240 436 HG23 ILE 49 HG23 ILE 49 -1.723 -1.522 3.361 437 HD11 ILE 49 HD11 ILE 49 -1.867 -2.750 -0.289 438 HD12 ILE 49 HD12 ILE 49 -3.336 -1.936 0.239 439 HD13 ILE 49 HD13 ILE 49 -3.441 -3.295 -0.856 440 H ALA 50 H ALA 50 -1.034 -2.682 4.877 441 HA ALA 50 HA ALA 50 1.329 -3.731 3.849 442 HB1 ALA 50 HB1 ALA 50 0.831 -1.563 5.317 443 HB2 ALA 50 HB2 ALA 50 2.412 -2.284 5.263 444 HB3 ALA 50 HB3 ALA 50 1.345 -2.628 6.623 445 H TYR 51 H TYR 51 -0.370 -4.515 6.854 446 HA TYR 51 HA TYR 51 1.531 -6.273 7.898 447 HB2 TYR 51 HB2 TYR 51 -0.388 -5.424 9.192 448 HB3 TYR 51 HB3 TYR 51 -1.485 -6.355 8.191 449 HD1 TYR 51 HD1 TYR 51 1.359 -6.655 10.590 450 HD2 TYR 51 HD2 TYR 51 -1.891 -8.683 8.619 451 HE1 TYR 51 HE1 TYR 51 1.689 -8.598 12.052 452 HE2 TYR 51 HE2 TYR 51 -1.556 -10.628 10.085 453 HH TYR 51 HH TYR 51 -0.115 -10.606 12.848 454 H TYR 52 H TYR 52 -1.303 -6.965 5.862 455 HA TYR 52 HA TYR 52 -0.603 -9.733 5.487 456 HB2 TYR 52 HB2 TYR 52 -2.566 -7.945 4.038 457 HB3 TYR 52 HB3 TYR 52 -2.303 -9.639 3.646 458 HD1 TYR 52 HD1 TYR 52 -2.344 -11.314 5.711 459 HD2 TYR 52 HD2 TYR 52 -4.222 -7.445 5.671 460 HE1 TYR 52 HE1 TYR 52 -3.802 -12.015 7.528 461 HE2 TYR 52 HE2 TYR 52 -5.692 -8.144 7.510 462 HH TYR 52 HH TYR 52 -6.583 -10.407 8.353 463 H LEU 53 H LEU 53 -0.083 -6.751 3.742 464 HA LEU 53 HA LEU 53 0.870 -7.860 1.358 465 HB2 LEU 53 HB2 LEU 53 0.079 -5.501 1.628 466 HB3 LEU 53 HB3 LEU 53 1.558 -5.161 2.535 467 HG LEU 53 HG LEU 53 2.890 -5.712 0.512 468 HD11 LEU 53 HD11 LEU 53 1.294 -5.838 -1.625 469 HD12 LEU 53 HD12 LEU 53 0.189 -6.541 -0.457 470 HD13 LEU 53 HD13 LEU 53 1.762 -7.282 -0.738 471 HD21 LEU 53 HD21 LEU 53 2.368 -3.743 -0.709 472 HD22 LEU 53 HD22 LEU 53 1.857 -3.404 0.942 473 HD23 LEU 53 HD23 LEU 53 0.661 -3.834 -0.280 474 H ASN 54 H ASN 54 2.185 -8.584 4.147 475 HA ASN 54 HA ASN 54 4.250 -9.375 4.799 476 HB2 ASN 54 HB2 ASN 54 4.694 -9.093 1.849 477 HB3 ASN 54 HB3 ASN 54 5.963 -9.610 2.895 478 HD21 ASN 54 HD21 ASN 54 3.799 -10.937 0.845 479 HD22 ASN 54 HD22 ASN 54 3.408 -12.378 1.645 480 H THR 55 H THR 55 3.674 -6.490 4.878 481 HA THR 55 HA THR 55 6.386 -5.662 5.258 482 HB THR 55 HB THR 55 4.841 -5.010 2.950 483 HG1 THR 55 HG1 THR 55 7.496 -4.101 3.367 484 HG21 THR 55 HG21 THR 55 5.413 -2.707 4.725 485 HG22 THR 55 HG22 THR 55 4.317 -2.884 3.363 486 HG23 THR 55 HG23 THR 55 6.017 -2.524 3.093 487 HA PRO 56 HA PRO 56 3.749 -3.890 8.513 488 HB2 PRO 56 HB2 PRO 56 5.698 -2.992 10.116 489 HB3 PRO 56 HB3 PRO 56 5.326 -4.720 9.979 490 HG2 PRO 56 HG2 PRO 56 7.519 -3.185 8.672 491 HG3 PRO 56 HG3 PRO 56 7.554 -4.775 9.454 492 HD2 PRO 56 HD2 PRO 56 7.411 -4.543 6.740 493 HD3 PRO 56 HD3 PRO 56 6.671 -5.886 7.625 494 H LEU 57 H LEU 57 3.535 -1.717 9.487 495 HA LEU 57 HA LEU 57 3.389 0.331 7.585 496 HB2 LEU 57 HB2 LEU 57 2.345 0.050 10.040 497 HB3 LEU 57 HB3 LEU 57 3.758 0.984 10.483 498 HG LEU 57 HG LEU 57 1.962 2.537 10.104 499 HD11 LEU 57 HD11 LEU 57 4.321 2.963 9.075 500 HD12 LEU 57 HD12 LEU 57 2.985 4.023 8.698 501 HD13 LEU 57 HD13 LEU 57 3.474 2.797 7.531 502 HD21 LEU 57 HD21 LEU 57 1.051 2.576 7.609 503 HD22 LEU 57 HD22 LEU 57 0.339 1.527 8.817 504 HD23 LEU 57 HD23 LEU 57 1.465 0.867 7.642 505 H GLU 58 H GLU 58 5.839 -0.407 10.032 506 HA GLU 58 HA GLU 58 7.471 1.847 9.654 507 HB2 GLU 58 HB2 GLU 58 9.018 -0.596 10.186 508 HB3 GLU 58 HB3 GLU 58 8.842 0.868 11.139 509 HG2 GLU 58 HG2 GLU 58 6.837 -1.425 11.071 510 HG3 GLU 58 HG3 GLU 58 8.011 -1.122 12.319 511 H ASP 59 H ASP 59 7.002 -1.000 7.696 512 HA ASP 59 HA ASP 59 9.463 -0.645 6.217 513 HB2 ASP 59 HB2 ASP 59 8.423 -2.887 6.617 514 HB3 ASP 59 HB3 ASP 59 7.159 -2.435 5.480 515 H ILE 60 H ILE 60 6.093 0.210 5.794 516 HA ILE 60 HA ILE 60 6.604 1.142 3.084 517 HB ILE 60 HB ILE 60 4.298 1.960 3.089 518 HG12 ILE 60 HG12 ILE 60 4.150 0.847 5.891 519 HG13 ILE 60 HG13 ILE 60 4.238 2.577 5.540 520 HG21 ILE 60 HG21 ILE 60 4.917 -0.509 2.694 521 HG22 ILE 60 HG22 ILE 60 3.229 -0.155 3.081 522 HG23 ILE 60 HG23 ILE 60 4.296 -0.785 4.326 523 HD11 ILE 60 HD11 ILE 60 2.190 1.939 3.929 524 HD12 ILE 60 HD12 ILE 60 1.945 2.353 5.627 525 HD13 ILE 60 HD13 ILE 60 1.996 0.661 5.122 526 H PHE 61 H PHE 61 6.606 2.428 6.259 527 HA PHE 61 HA PHE 61 7.319 5.050 5.104 528 HB2 PHE 61 HB2 PHE 61 5.141 5.039 6.418 529 HB3 PHE 61 HB3 PHE 61 6.092 4.618 7.840 530 HD1 PHE 61 HD1 PHE 61 6.497 7.045 4.975 531 HD2 PHE 61 HD2 PHE 61 6.491 6.444 9.238 532 HE1 PHE 61 HE1 PHE 61 7.051 9.425 5.312 533 HE2 PHE 61 HE2 PHE 61 7.041 8.827 9.567 534 HZ PHE 61 HZ PHE 61 7.323 10.327 7.608 535 H GLN 62 H GLN 62 9.406 4.014 4.979 536 HA GLN 62 HA GLN 62 10.795 3.502 7.500 537 HB2 GLN 62 HB2 GLN 62 11.648 3.215 4.618 538 HB3 GLN 62 HB3 GLN 62 12.699 2.850 5.989 539 HG2 GLN 62 HG2 GLN 62 11.183 1.139 6.738 540 HG3 GLN 62 HG3 GLN 62 10.007 1.577 5.491 541 HE21 GLN 62 HE21 GLN 62 10.091 0.027 3.878 542 HE22 GLN 62 HE22 GLN 62 11.514 -0.691 3.286 543 H TRP 63 H TRP 63 12.630 4.619 8.134 544 HA TRP 63 HA TRP 63 12.617 7.415 7.678 545 HB2 TRP 63 HB2 TRP 63 14.567 5.571 9.053 546 HB3 TRP 63 HB3 TRP 63 14.793 7.312 8.975 547 HD1 TRP 63 HD1 TRP 63 12.518 4.652 10.513 548 HE1 TRP 63 HE1 TRP 63 11.095 5.752 12.355 549 HE3 TRP 63 HE3 TRP 63 13.747 9.551 9.767 550 HZ2 TRP 63 HZ2 TRP 63 10.564 8.374 13.392 551 HZ3 TRP 63 HZ3 TRP 63 12.772 11.321 11.193 552 HH2 TRP 63 HH2 TRP 63 11.179 10.733 13.009 553 H GLN 64 H GLN 64 14.544 4.749 6.391 554 HA GLN 64 HA GLN 64 16.496 4.824 5.123 555 HB2 GLN 64 HB2 GLN 64 14.041 5.238 3.756 556 HB3 GLN 64 HB3 GLN 64 15.298 6.035 2.834 557 HG2 GLN 64 HG2 GLN 64 15.389 3.837 1.990 558 HG3 GLN 64 HG3 GLN 64 16.656 3.842 3.197 559 HE21 GLN 64 HE21 GLN 64 13.674 2.305 2.301 560 HE22 GLN 64 HE22 GLN 64 13.526 1.371 3.709 561 HA PRO 65 HA PRO 65 17.452 9.398 5.490 562 HB2 PRO 65 HB2 PRO 65 19.216 9.275 7.509 563 HB3 PRO 65 HB3 PRO 65 17.469 9.398 7.788 564 HG2 PRO 65 HG2 PRO 65 19.239 7.092 8.202 565 HG3 PRO 65 HG3 PRO 65 17.667 7.448 8.923 566 HD2 PRO 65 HD2 PRO 65 18.240 5.699 6.719 567 HD3 PRO 65 HD3 PRO 65 16.657 6.034 7.460 568 H GLU 66 H GLU 66 18.287 7.407 3.689 569 HA GLU 66 HA GLU 66 19.909 6.965 2.174 570 HB2 GLU 66 HB2 GLU 66 21.405 9.176 3.620 571 HB3 GLU 66 HB3 GLU 66 21.939 8.405 2.143 572 HG2 GLU 66 HG2 GLU 66 19.929 9.050 0.955 573 HG3 GLU 66 HG3 GLU 66 19.234 9.720 2.417 Start of MODEL 10 1 H1 MET 1 H1 MET 1 15.561 -0.837 -1.973 2 HA MET 1 HA MET 1 14.185 -1.170 -4.346 3 HB2 MET 1 HB2 MET 1 12.430 -1.516 -1.906 4 HB3 MET 1 HB3 MET 1 11.810 -1.148 -3.511 5 HG2 MET 1 HG2 MET 1 12.886 -3.214 -4.388 6 HG3 MET 1 HG3 MET 1 13.440 -3.594 -2.766 7 HE1 MET 1 HE1 MET 1 12.229 -3.712 -0.864 8 HE2 MET 1 HE2 MET 1 10.856 -4.826 -0.762 9 HE3 MET 1 HE3 MET 1 10.596 -3.094 -0.745 10 H ILE 2 H ILE 2 12.326 0.618 -4.448 11 HA ILE 2 HA ILE 2 13.342 3.009 -3.058 12 HB ILE 2 HB ILE 2 11.756 2.879 -5.642 13 HG12 ILE 2 HG12 ILE 2 14.057 1.979 -5.930 14 HG13 ILE 2 HG13 ILE 2 13.882 3.539 -6.738 15 HG21 ILE 2 HG21 ILE 2 11.366 4.949 -4.468 16 HG22 ILE 2 HG22 ILE 2 12.480 5.292 -5.784 17 HG23 ILE 2 HG23 ILE 2 13.078 5.165 -4.136 18 HD11 ILE 2 HD11 ILE 2 14.898 4.626 -4.684 19 HD12 ILE 2 HD12 ILE 2 15.978 3.539 -5.545 20 HD13 ILE 2 HD13 ILE 2 15.216 3.006 -4.061 21 H ILE 3 H ILE 3 12.032 3.934 -1.665 22 HA ILE 3 HA ILE 3 9.754 2.635 -0.709 23 HB ILE 3 HB ILE 3 10.751 5.463 -0.330 24 HG12 ILE 3 HG12 ILE 3 10.934 3.093 1.539 25 HG13 ILE 3 HG13 ILE 3 12.208 3.444 0.375 26 HG21 ILE 3 HG21 ILE 3 9.363 5.469 1.722 27 HG22 ILE 3 HG22 ILE 3 8.712 3.896 1.294 28 HG23 ILE 3 HG23 ILE 3 8.348 5.301 0.293 29 HD11 ILE 3 HD11 ILE 3 11.350 5.775 1.975 30 HD12 ILE 3 HD12 ILE 3 12.963 5.209 1.553 31 HD13 ILE 3 HD13 ILE 3 12.111 4.469 2.896 32 H ASN 4 H ASN 4 10.085 5.557 -2.677 33 HA ASN 4 HA ASN 4 8.513 6.882 -3.716 34 HB2 ASN 4 HB2 ASN 4 8.008 4.098 -4.737 35 HB3 ASN 4 HB3 ASN 4 7.169 5.509 -5.391 36 HD21 ASN 4 HD21 ASN 4 9.657 7.246 -4.976 37 HD22 ASN 4 HD22 ASN 4 10.696 6.745 -6.213 38 H ASN 5 H ASN 5 6.322 4.189 -3.686 39 HA ASN 5 HA ASN 5 4.614 5.409 -1.676 40 HB2 ASN 5 HB2 ASN 5 3.918 5.239 -4.589 41 HB3 ASN 5 HB3 ASN 5 2.650 5.085 -3.387 42 HD21 ASN 5 HD21 ASN 5 4.677 7.348 -5.040 43 HD22 ASN 5 HD22 ASN 5 4.195 8.720 -4.175 44 H LEU 6 H LEU 6 2.637 3.986 -1.334 45 HA LEU 6 HA LEU 6 3.517 1.408 -0.636 46 HB2 LEU 6 HB2 LEU 6 1.590 2.673 0.400 47 HB3 LEU 6 HB3 LEU 6 0.635 2.301 -1.024 48 HG LEU 6 HG LEU 6 0.372 0.810 1.063 49 HD11 LEU 6 HD11 LEU 6 0.942 -0.545 -1.588 50 HD12 LEU 6 HD12 LEU 6 -0.568 0.250 -1.140 51 HD13 LEU 6 HD13 LEU 6 -0.021 -1.171 -0.252 52 HD21 LEU 6 HD21 LEU 6 2.726 -0.713 -0.026 53 HD22 LEU 6 HD22 LEU 6 1.961 -0.784 1.561 54 HD23 LEU 6 HD23 LEU 6 2.993 0.578 1.162 55 H LYS 7 H LYS 7 1.509 2.537 -3.240 56 HA LYS 7 HA LYS 7 0.982 0.182 -4.644 57 HB2 LYS 7 HB2 LYS 7 1.118 1.817 -6.700 58 HB3 LYS 7 HB3 LYS 7 -0.161 1.996 -5.508 59 HG2 LYS 7 HG2 LYS 7 1.572 3.685 -4.305 60 HG3 LYS 7 HG3 LYS 7 2.316 3.668 -5.886 61 HD2 LYS 7 HD2 LYS 7 0.675 4.854 -6.850 62 HD3 LYS 7 HD3 LYS 7 -0.587 4.062 -5.911 63 HE2 LYS 7 HE2 LYS 7 1.300 6.165 -4.779 64 HE3 LYS 7 HE3 LYS 7 -0.334 6.466 -5.330 65 HZ1 LYS 7 HZ1 LYS 7 -0.365 4.253 -3.518 66 HZ2 LYS 7 HZ2 LYS 7 -1.130 5.754 -3.391 67 HZ3 LYS 7 HZ3 LYS 7 0.460 5.506 -2.823 68 H LEU 8 H LEU 8 3.778 2.345 -4.860 69 HA LEU 8 HA LEU 8 5.147 0.886 -6.874 70 HB2 LEU 8 HB2 LEU 8 5.982 2.921 -4.844 71 HB3 LEU 8 HB3 LEU 8 7.224 2.039 -5.696 72 HG LEU 8 HG LEU 8 6.676 4.163 -6.828 73 HD11 LEU 8 HD11 LEU 8 6.584 3.325 -9.028 74 HD12 LEU 8 HD12 LEU 8 5.707 1.888 -8.548 75 HD13 LEU 8 HD13 LEU 8 7.401 2.080 -8.097 76 HD21 LEU 8 HD21 LEU 8 3.937 2.915 -7.285 77 HD22 LEU 8 HD22 LEU 8 4.523 4.427 -7.969 78 HD23 LEU 8 HD23 LEU 8 4.282 4.313 -6.237 79 H ILE 9 H ILE 9 5.139 0.718 -3.377 80 HA ILE 9 HA ILE 9 7.208 -1.185 -3.181 81 HB ILE 9 HB ILE 9 4.929 -0.553 -1.275 82 HG12 ILE 9 HG12 ILE 9 6.543 1.309 -1.662 83 HG13 ILE 9 HG13 ILE 9 6.733 0.656 -0.042 84 HG21 ILE 9 HG21 ILE 9 6.933 -1.622 0.252 85 HG22 ILE 9 HG22 ILE 9 7.063 -2.627 -1.174 86 HG23 ILE 9 HG23 ILE 9 5.528 -2.524 -0.296 87 HD11 ILE 9 HD11 ILE 9 8.524 -0.912 -1.328 88 HD12 ILE 9 HD12 ILE 9 8.917 0.674 -0.658 89 HD13 ILE 9 HD13 ILE 9 8.554 0.521 -2.368 90 H ARG 10 H ARG 10 3.695 -1.565 -3.487 91 HA ARG 10 HA ARG 10 3.559 -4.322 -2.995 92 HB2 ARG 10 HB2 ARG 10 1.824 -2.562 -4.723 93 HB3 ARG 10 HB3 ARG 10 1.538 -4.305 -4.529 94 HG2 ARG 10 HG2 ARG 10 1.384 -4.018 -2.153 95 HG3 ARG 10 HG3 ARG 10 1.652 -2.266 -2.277 96 HD2 ARG 10 HD2 ARG 10 -0.629 -3.808 -3.588 97 HD3 ARG 10 HD3 ARG 10 -0.758 -3.018 -2.049 98 HE ARG 10 HE ARG 10 -0.398 -0.859 -3.189 99 HH11 ARG 10 HH11 ARG 10 -0.982 -3.596 -5.324 100 HH12 ARG 10 HH12 ARG 10 -1.899 -2.691 -6.434 101 HH21 ARG 10 HH21 ARG 10 -1.639 0.309 -4.644 102 HH22 ARG 10 HH22 ARG 10 -2.314 -0.446 -6.059 103 H GLU 11 H GLU 11 4.063 -2.695 -6.079 104 HA GLU 11 HA GLU 11 3.947 -4.999 -7.657 105 HB2 GLU 11 HB2 GLU 11 5.310 -3.638 -9.324 106 HB3 GLU 11 HB3 GLU 11 3.770 -2.949 -8.824 107 HG2 GLU 11 HG2 GLU 11 4.949 -1.522 -7.180 108 HG3 GLU 11 HG3 GLU 11 6.490 -2.233 -7.692 109 H LYS 12 H LYS 12 6.683 -3.514 -6.035 110 HA LYS 12 HA LYS 12 8.734 -4.932 -7.280 111 HB2 LYS 12 HB2 LYS 12 8.739 -4.092 -4.373 112 HB3 LYS 12 HB3 LYS 12 10.135 -4.338 -5.416 113 HG2 LYS 12 HG2 LYS 12 8.006 -2.242 -5.708 114 HG3 LYS 12 HG3 LYS 12 9.682 -1.956 -5.263 115 HD2 LYS 12 HD2 LYS 12 10.407 -2.866 -7.452 116 HD3 LYS 12 HD3 LYS 12 8.728 -3.036 -7.958 117 HE2 LYS 12 HE2 LYS 12 10.243 -0.512 -7.342 118 HE3 LYS 12 HE3 LYS 12 9.493 -1.037 -8.858 119 HZ1 LYS 12 HZ1 LYS 12 8.342 0.628 -7.160 120 HZ2 LYS 12 HZ2 LYS 12 7.578 -0.791 -6.630 121 HZ3 LYS 12 HZ3 LYS 12 7.497 -0.330 -8.255 122 H LYS 13 H LYS 13 6.845 -5.741 -4.420 123 HA LYS 13 HA LYS 13 8.189 -8.331 -4.234 124 HB2 LYS 13 HB2 LYS 13 6.588 -8.586 -2.205 125 HB3 LYS 13 HB3 LYS 13 7.950 -7.485 -2.081 126 HG2 LYS 13 HG2 LYS 13 6.565 -5.560 -2.405 127 HG3 LYS 13 HG3 LYS 13 5.227 -6.538 -2.975 128 HD2 LYS 13 HD2 LYS 13 4.437 -6.743 -0.917 129 HD3 LYS 13 HD3 LYS 13 5.910 -7.539 -0.376 130 HE2 LYS 13 HE2 LYS 13 5.966 -4.548 -0.646 131 HE3 LYS 13 HE3 LYS 13 5.010 -5.255 0.629 132 HZ1 LYS 13 HZ1 LYS 13 7.902 -5.896 0.213 133 HZ2 LYS 13 HZ2 LYS 13 6.940 -6.415 1.486 134 HZ3 LYS 13 HZ3 LYS 13 7.298 -4.813 1.372 135 H LYS 14 H LYS 14 6.097 -7.297 -6.249 136 HA LYS 14 HA LYS 14 4.527 -8.232 -7.610 137 HB2 LYS 14 HB2 LYS 14 5.434 -10.883 -6.542 138 HB3 LYS 14 HB3 LYS 14 4.868 -10.489 -8.162 139 HG2 LYS 14 HG2 LYS 14 7.461 -9.510 -6.900 140 HG3 LYS 14 HG3 LYS 14 7.354 -10.776 -8.094 141 HD2 LYS 14 HD2 LYS 14 6.028 -8.253 -8.983 142 HD3 LYS 14 HD3 LYS 14 7.721 -8.089 -8.632 143 HE2 LYS 14 HE2 LYS 14 7.083 -8.831 -11.024 144 HE3 LYS 14 HE3 LYS 14 8.407 -9.667 -10.218 145 HZ1 LYS 14 HZ1 LYS 14 7.071 -11.555 -9.847 146 HZ2 LYS 14 HZ2 LYS 14 6.527 -11.024 -11.340 147 HZ3 LYS 14 HZ3 LYS 14 5.633 -10.675 -9.985 148 H ILE 15 H ILE 15 3.604 -7.607 -4.891 149 HA ILE 15 HA ILE 15 1.654 -9.722 -4.472 150 HB ILE 15 HB ILE 15 2.542 -7.432 -2.792 151 HG12 ILE 15 HG12 ILE 15 1.678 -9.674 -1.310 152 HG13 ILE 15 HG13 ILE 15 2.437 -10.353 -2.729 153 HG21 ILE 15 HG21 ILE 15 -0.266 -8.455 -2.909 154 HG22 ILE 15 HG22 ILE 15 0.327 -6.819 -2.665 155 HG23 ILE 15 HG23 ILE 15 0.440 -8.007 -1.355 156 HD11 ILE 15 HD11 ILE 15 4.331 -8.600 -2.209 157 HD12 ILE 15 HD12 ILE 15 4.244 -10.110 -1.307 158 HD13 ILE 15 HD13 ILE 15 3.619 -8.632 -0.579 159 H SER 16 H SER 16 -0.259 -9.822 -5.182 160 HA SER 16 HA SER 16 -1.228 -8.002 -7.090 161 HB2 SER 16 HB2 SER 16 -3.158 -9.856 -5.851 162 HB3 SER 16 HB3 SER 16 -2.696 -9.647 -7.529 163 HG SER 16 HG SER 16 -1.916 -11.491 -5.780 164 H GLN 17 H GLN 17 -3.411 -7.010 -6.924 165 HA GLN 17 HA GLN 17 -3.593 -5.221 -4.740 166 HB2 GLN 17 HB2 GLN 17 -5.730 -6.137 -6.683 167 HB3 GLN 17 HB3 GLN 17 -5.884 -4.767 -5.597 168 HG2 GLN 17 HG2 GLN 17 -3.959 -3.672 -6.719 169 HG3 GLN 17 HG3 GLN 17 -3.820 -5.048 -7.795 170 HE21 GLN 17 HE21 GLN 17 -4.249 -3.075 -9.380 171 HE22 GLN 17 HE22 GLN 17 -5.875 -2.822 -9.793 172 H SER 18 H SER 18 -5.323 -8.190 -5.567 173 HA SER 18 HA SER 18 -7.159 -8.191 -3.498 174 HB2 SER 18 HB2 SER 18 -5.949 -10.579 -4.878 175 HB3 SER 18 HB3 SER 18 -7.391 -10.600 -3.895 176 HG SER 18 HG SER 18 -7.312 -10.141 -6.417 177 H GLU 19 H GLU 19 -3.849 -9.505 -3.476 178 HA GLU 19 HA GLU 19 -3.929 -11.046 -1.219 179 HB2 GLU 19 HB2 GLU 19 -1.684 -9.052 -1.523 180 HB3 GLU 19 HB3 GLU 19 -1.596 -10.696 -0.963 181 HG2 GLU 19 HG2 GLU 19 -2.059 -9.825 -3.852 182 HG3 GLU 19 HG3 GLU 19 -0.630 -10.505 -3.167 183 H LEU 20 H LEU 20 -2.941 -7.686 -1.167 184 HA LEU 20 HA LEU 20 -3.763 -7.462 1.604 185 HB2 LEU 20 HB2 LEU 20 -2.705 -5.277 1.708 186 HB3 LEU 20 HB3 LEU 20 -1.596 -6.534 1.224 187 HG LEU 20 HG LEU 20 -1.066 -4.712 -0.194 188 HD11 LEU 20 HD11 LEU 20 -1.485 -6.897 -1.401 189 HD12 LEU 20 HD12 LEU 20 -1.406 -5.443 -2.364 190 HD13 LEU 20 HD13 LEU 20 -2.965 -6.165 -2.032 191 HD21 LEU 20 HD21 LEU 20 -3.770 -3.895 0.207 192 HD22 LEU 20 HD22 LEU 20 -3.522 -4.041 -1.539 193 HD23 LEU 20 HD23 LEU 20 -2.472 -3.021 -0.581 194 H ALA 21 H ALA 21 -4.592 -5.733 -1.363 195 HA ALA 21 HA ALA 21 -6.156 -3.860 -0.072 196 HB1 ALA 21 HB1 ALA 21 -5.361 -3.210 -2.120 197 HB2 ALA 21 HB2 ALA 21 -7.103 -3.273 -2.287 198 HB3 ALA 21 HB3 ALA 21 -6.113 -4.547 -3.009 199 H ALA 22 H ALA 22 -7.200 -6.969 -1.121 200 HA ALA 22 HA ALA 22 -9.980 -6.431 -1.293 201 HB1 ALA 22 HB1 ALA 22 -9.056 -8.533 -2.116 202 HB2 ALA 22 HB2 ALA 22 -10.301 -8.841 -0.914 203 HB3 ALA 22 HB3 ALA 22 -8.606 -9.003 -0.476 204 H LEU 23 H LEU 23 -7.977 -7.196 1.425 205 HA LEU 23 HA LEU 23 -9.995 -7.874 3.215 206 HB2 LEU 23 HB2 LEU 23 -7.242 -6.865 3.901 207 HB3 LEU 23 HB3 LEU 23 -8.302 -7.833 4.929 208 HG LEU 23 HG LEU 23 -7.160 -8.691 2.247 209 HD11 LEU 23 HD11 LEU 23 -6.064 -10.459 3.649 210 HD12 LEU 23 HD12 LEU 23 -6.525 -9.517 5.059 211 HD13 LEU 23 HD13 LEU 23 -5.448 -8.821 3.843 212 HD21 LEU 23 HD21 LEU 23 -9.254 -9.747 2.343 213 HD22 LEU 23 HD22 LEU 23 -9.204 -9.956 4.094 214 HD23 LEU 23 HD23 LEU 23 -8.183 -10.949 3.056 215 H LEU 24 H LEU 24 -8.728 -4.713 2.544 216 HA LEU 24 HA LEU 24 -9.490 -3.476 4.974 217 HB2 LEU 24 HB2 LEU 24 -9.505 -1.370 3.207 218 HB3 LEU 24 HB3 LEU 24 -8.087 -1.982 4.040 219 HG LEU 24 HG LEU 24 -8.998 -3.120 1.379 220 HD11 LEU 24 HD11 LEU 24 -6.680 -1.439 1.172 221 HD12 LEU 24 HD12 LEU 24 -8.087 -0.507 1.695 222 HD13 LEU 24 HD13 LEU 24 -8.153 -1.497 0.218 223 HD21 LEU 24 HD21 LEU 24 -6.976 -3.866 3.259 224 HD22 LEU 24 HD22 LEU 24 -6.168 -3.142 1.858 225 HD23 LEU 24 HD23 LEU 24 -7.280 -4.482 1.637 226 H GLU 25 H GLU 25 -11.576 -4.805 2.902 227 HA GLU 25 HA GLU 25 -13.749 -4.523 2.351 228 HB2 GLU 25 HB2 GLU 25 -13.711 -3.289 5.094 229 HB3 GLU 25 HB3 GLU 25 -15.197 -3.526 4.172 230 HG2 GLU 25 HG2 GLU 25 -14.701 -5.937 3.982 231 HG3 GLU 25 HG3 GLU 25 -13.217 -5.711 4.905 232 H VAL 26 H VAL 26 -11.961 -2.498 1.409 233 HA VAL 26 HA VAL 26 -14.019 -0.491 0.745 234 HB VAL 26 HB VAL 26 -12.221 1.042 0.089 235 HG11 VAL 26 HG11 VAL 26 -13.024 1.117 2.456 236 HG12 VAL 26 HG12 VAL 26 -11.365 1.674 2.247 237 HG13 VAL 26 HG13 VAL 26 -11.671 0.069 2.907 238 HG21 VAL 26 HG21 VAL 26 -10.372 -1.149 1.097 239 HG22 VAL 26 HG22 VAL 26 -9.848 0.491 0.729 240 HG23 VAL 26 HG23 VAL 26 -10.478 -0.532 -0.555 241 H SER 27 H SER 27 -13.941 0.011 -1.671 242 HA SER 27 HA SER 27 -13.737 -2.421 -3.039 243 HB2 SER 27 HB2 SER 27 -13.487 -0.438 -4.993 244 HB3 SER 27 HB3 SER 27 -14.969 -1.181 -4.437 245 HG SER 27 HG SER 27 -13.725 1.208 -3.767 246 H ARG 28 H ARG 28 -12.065 -3.437 -3.886 247 HA ARG 28 HA ARG 28 -9.433 -2.689 -3.272 248 HB2 ARG 28 HB2 ARG 28 -10.328 -4.972 -3.726 249 HB3 ARG 28 HB3 ARG 28 -10.204 -4.636 -5.479 250 HG2 ARG 28 HG2 ARG 28 -7.704 -3.950 -4.681 251 HG3 ARG 28 HG3 ARG 28 -8.171 -4.968 -3.341 252 HD2 ARG 28 HD2 ARG 28 -7.122 -6.449 -4.908 253 HD3 ARG 28 HD3 ARG 28 -8.841 -6.781 -4.931 254 HE ARG 28 HE ARG 28 -7.999 -4.838 -6.935 255 HH11 ARG 28 HH11 ARG 28 -8.372 -8.293 -6.262 256 HH12 ARG 28 HH12 ARG 28 -8.631 -8.677 -7.887 257 HH21 ARG 28 HH21 ARG 28 -8.322 -5.410 -9.089 258 HH22 ARG 28 HH22 ARG 28 -8.594 -7.046 -9.524 259 H GLN 29 H GLN 29 -11.314 -2.453 -6.186 260 HA GLN 29 HA GLN 29 -9.284 -1.603 -7.940 261 HB2 GLN 29 HB2 GLN 29 -12.189 -0.767 -8.089 262 HB3 GLN 29 HB3 GLN 29 -11.022 -0.931 -9.396 263 HG2 GLN 29 HG2 GLN 29 -10.826 -3.384 -8.772 264 HG3 GLN 29 HG3 GLN 29 -12.129 -3.076 -7.666 265 HE21 GLN 29 HE21 GLN 29 -12.946 -4.877 -9.500 266 HE22 GLN 29 HE22 GLN 29 -13.960 -4.187 -10.667 267 H THR 30 H THR 30 -11.628 0.180 -6.002 268 HA THR 30 HA THR 30 -10.804 2.740 -6.857 269 HB THR 30 HB THR 30 -12.168 3.521 -4.905 270 HG1 THR 30 HG1 THR 30 -11.842 1.716 -3.543 271 HG21 THR 30 HG21 THR 30 -13.098 3.052 -7.178 272 HG22 THR 30 HG22 THR 30 -14.271 2.792 -5.893 273 HG23 THR 30 HG23 THR 30 -13.481 1.416 -6.658 274 H ILE 31 H ILE 31 -9.819 0.707 -4.139 275 HA ILE 31 HA ILE 31 -8.300 2.778 -2.875 276 HB ILE 31 HB ILE 31 -8.986 0.338 -2.030 277 HG12 ILE 31 HG12 ILE 31 -8.075 2.047 -0.563 278 HG13 ILE 31 HG13 ILE 31 -7.269 0.530 -0.248 279 HG21 ILE 31 HG21 ILE 31 -6.184 -0.078 -3.146 280 HG22 ILE 31 HG22 ILE 31 -7.631 -1.059 -3.433 281 HG23 ILE 31 HG23 ILE 31 -6.874 -1.043 -1.858 282 HD11 ILE 31 HD11 ILE 31 -6.147 2.977 -1.554 283 HD12 ILE 31 HD12 ILE 31 -5.517 1.414 -2.069 284 HD13 ILE 31 HD13 ILE 31 -5.403 1.887 -0.390 285 H ASN 32 H ASN 32 -7.581 0.318 -5.237 286 HA ASN 32 HA ASN 32 -4.883 1.116 -5.734 287 HB2 ASN 32 HB2 ASN 32 -6.883 -0.485 -7.317 288 HB3 ASN 32 HB3 ASN 32 -5.328 -0.029 -7.993 289 HD21 ASN 32 HD21 ASN 32 -6.875 -2.118 -5.670 290 HD22 ASN 32 HD22 ASN 32 -5.462 -2.928 -5.177 291 H GLY 33 H GLY 33 -8.037 1.961 -7.021 292 HA2 GLY 33 HA2 GLY 33 -7.210 3.622 -9.096 293 HA3 GLY 33 HA3 GLY 33 -8.749 3.764 -8.235 294 H ILE 34 H ILE 34 -7.788 4.256 -5.669 295 HA ILE 34 HA ILE 34 -7.119 7.002 -5.904 296 HB ILE 34 HB ILE 34 -8.089 5.280 -3.812 297 HG12 ILE 34 HG12 ILE 34 -8.617 7.593 -2.842 298 HG13 ILE 34 HG13 ILE 34 -7.781 8.240 -4.265 299 HG21 ILE 34 HG21 ILE 34 -5.795 5.288 -2.930 300 HG22 ILE 34 HG22 ILE 34 -6.929 6.141 -1.914 301 HG23 ILE 34 HG23 ILE 34 -5.802 7.062 -2.940 302 HD11 ILE 34 HD11 ILE 34 -10.362 6.734 -4.116 303 HD12 ILE 34 HD12 ILE 34 -9.376 6.578 -5.567 304 HD13 ILE 34 HD13 ILE 34 -9.953 8.162 -5.071 305 H GLU 35 H GLU 35 -5.334 4.114 -5.047 306 HA GLU 35 HA GLU 35 -2.837 5.404 -4.636 307 HB2 GLU 35 HB2 GLU 35 -3.723 2.652 -5.329 308 HB3 GLU 35 HB3 GLU 35 -2.037 2.989 -5.597 309 HG2 GLU 35 HG2 GLU 35 -2.598 4.076 -3.046 310 HG3 GLU 35 HG3 GLU 35 -3.477 2.577 -3.085 311 H LYS 36 H LYS 36 -4.780 4.848 -7.345 312 HA LYS 36 HA LYS 36 -2.707 5.221 -9.274 313 HB2 LYS 36 HB2 LYS 36 -5.232 4.206 -9.443 314 HB3 LYS 36 HB3 LYS 36 -5.429 5.774 -10.223 315 HG2 LYS 36 HG2 LYS 36 -3.575 5.351 -11.694 316 HG3 LYS 36 HG3 LYS 36 -3.211 3.827 -10.895 317 HD2 LYS 36 HD2 LYS 36 -5.881 4.421 -12.234 318 HD3 LYS 36 HD3 LYS 36 -4.549 3.628 -13.067 319 HE2 LYS 36 HE2 LYS 36 -4.571 1.779 -11.450 320 HE3 LYS 36 HE3 LYS 36 -5.825 2.570 -10.507 321 HZ1 LYS 36 HZ1 LYS 36 -6.151 0.882 -12.698 322 HZ2 LYS 36 HZ2 LYS 36 -6.718 2.409 -13.175 323 HZ3 LYS 36 HZ3 LYS 36 -7.306 1.665 -11.771 324 H ASN 37 H ASN 37 -2.349 7.156 -7.563 325 HA ASN 37 HA ASN 37 -1.411 9.172 -8.254 326 HB2 ASN 37 HB2 ASN 37 -2.670 9.147 -10.405 327 HB3 ASN 37 HB3 ASN 37 -4.013 9.873 -9.466 328 HD21 ASN 37 HD21 ASN 37 -0.537 10.477 -10.227 329 HD22 ASN 37 HD22 ASN 37 -0.690 12.162 -10.194 330 H LYS 38 H LYS 38 -3.908 8.440 -6.213 331 HA LYS 38 HA LYS 38 -4.318 11.251 -5.421 332 HB2 LYS 38 HB2 LYS 38 -5.898 8.761 -4.834 333 HB3 LYS 38 HB3 LYS 38 -6.094 10.228 -3.895 334 HG2 LYS 38 HG2 LYS 38 -7.381 11.119 -5.475 335 HG3 LYS 38 HG3 LYS 38 -6.057 11.085 -6.615 336 HD2 LYS 38 HD2 LYS 38 -6.674 8.650 -7.084 337 HD3 LYS 38 HD3 LYS 38 -8.168 8.945 -6.183 338 HE2 LYS 38 HE2 LYS 38 -7.216 10.438 -8.641 339 HE3 LYS 38 HE3 LYS 38 -8.562 9.314 -8.567 340 HZ1 LYS 38 HZ1 LYS 38 -9.809 11.056 -8.084 341 HZ2 LYS 38 HZ2 LYS 38 -8.491 12.073 -7.869 342 HZ3 LYS 38 HZ3 LYS 38 -9.086 11.139 -6.573 343 H TYR 39 H TYR 39 -3.541 8.157 -3.912 344 HA TYR 39 HA TYR 39 -1.422 9.169 -2.470 345 HB2 TYR 39 HB2 TYR 39 -2.488 9.103 -0.100 346 HB3 TYR 39 HB3 TYR 39 -2.741 10.518 -1.082 347 HD1 TYR 39 HD1 TYR 39 -4.332 7.306 -0.058 348 HD2 TYR 39 HD2 TYR 39 -4.937 11.226 -1.695 349 HE1 TYR 39 HE1 TYR 39 -6.763 7.030 0.184 350 HE2 TYR 39 HE2 TYR 39 -7.378 10.945 -1.460 351 HH TYR 39 HH TYR 39 -8.912 8.140 -1.083 352 H ASN 40 H ASN 40 -1.635 7.589 -0.090 353 HA ASN 40 HA ASN 40 -1.558 4.904 -1.314 354 HB2 ASN 40 HB2 ASN 40 -0.107 5.871 1.172 355 HB3 ASN 40 HB3 ASN 40 0.031 4.302 0.420 356 HD21 ASN 40 HD21 ASN 40 1.259 7.532 0.318 357 HD22 ASN 40 HD22 ASN 40 2.226 7.338 -1.067 358 HA PRO 41 HA PRO 41 -4.665 3.405 1.410 359 HB2 PRO 41 HB2 PRO 41 -2.693 1.639 2.750 360 HB3 PRO 41 HB3 PRO 41 -4.244 1.238 1.983 361 HG2 PRO 41 HG2 PRO 41 -1.704 0.931 0.837 362 HG3 PRO 41 HG3 PRO 41 -3.252 0.803 0.004 363 HD2 PRO 41 HD2 PRO 41 -1.329 2.792 -0.513 364 HD3 PRO 41 HD3 PRO 41 -3.027 2.827 -0.999 365 H SER 42 H SER 42 -5.462 4.031 3.435 366 HA SER 42 HA SER 42 -4.052 5.953 4.865 367 HB2 SER 42 HB2 SER 42 -6.349 4.364 6.043 368 HB3 SER 42 HB3 SER 42 -5.901 6.034 6.309 369 HG SER 42 HG SER 42 -7.644 5.838 4.875 370 H LEU 43 H LEU 43 -2.908 5.856 6.791 371 HA LEU 43 HA LEU 43 -1.424 3.547 7.132 372 HB2 LEU 43 HB2 LEU 43 -1.631 6.081 8.683 373 HB3 LEU 43 HB3 LEU 43 -0.821 4.718 9.439 374 HG LEU 43 HG LEU 43 0.633 4.457 7.459 375 HD11 LEU 43 HD11 LEU 43 -0.921 5.430 5.763 376 HD12 LEU 43 HD12 LEU 43 0.691 6.112 5.705 377 HD13 LEU 43 HD13 LEU 43 -0.607 7.028 6.452 378 HD21 LEU 43 HD21 LEU 43 2.060 6.281 7.864 379 HD22 LEU 43 HD22 LEU 43 1.262 5.964 9.398 380 HD23 LEU 43 HD23 LEU 43 0.742 7.334 8.402 381 H GLN 44 H GLN 44 -4.189 4.653 8.940 382 HA GLN 44 HA GLN 44 -4.094 2.738 10.987 383 HB2 GLN 44 HB2 GLN 44 -6.716 2.922 10.888 384 HB3 GLN 44 HB3 GLN 44 -5.755 4.300 11.409 385 HG2 GLN 44 HG2 GLN 44 -6.571 3.962 8.501 386 HG3 GLN 44 HG3 GLN 44 -7.624 4.722 9.673 387 HE21 GLN 44 HE21 GLN 44 -6.842 6.741 10.730 388 HE22 GLN 44 HE22 GLN 44 -5.641 7.658 9.968 389 H LEU 45 H LEU 45 -5.569 2.442 7.762 390 HA LEU 45 HA LEU 45 -6.109 -0.377 8.262 391 HB2 LEU 45 HB2 LEU 45 -7.000 -0.458 5.955 392 HB3 LEU 45 HB3 LEU 45 -7.772 0.770 6.933 393 HG LEU 45 HG LEU 45 -5.946 2.381 5.918 394 HD11 LEU 45 HD11 LEU 45 -4.602 1.513 4.358 395 HD12 LEU 45 HD12 LEU 45 -5.997 1.068 3.383 396 HD13 LEU 45 HD13 LEU 45 -5.354 -0.069 4.559 397 HD21 LEU 45 HD21 LEU 45 -8.462 2.385 5.482 398 HD22 LEU 45 HD22 LEU 45 -8.141 1.354 4.091 399 HD23 LEU 45 HD23 LEU 45 -7.479 2.985 4.157 400 H ALA 46 H ALA 46 -3.741 1.587 6.615 401 HA ALA 46 HA ALA 46 -2.574 -0.357 5.034 402 HB1 ALA 46 HB1 ALA 46 -1.997 2.138 5.015 403 HB2 ALA 46 HB2 ALA 46 -0.654 1.013 4.862 404 HB3 ALA 46 HB3 ALA 46 -0.971 1.772 6.410 405 H LEU 47 H LEU 47 -2.345 0.151 8.462 406 HA LEU 47 HA LEU 47 0.018 -1.310 8.964 407 HB2 LEU 47 HB2 LEU 47 -2.483 -0.941 10.628 408 HB3 LEU 47 HB3 LEU 47 -1.056 -1.765 11.227 409 HG LEU 47 HG LEU 47 -0.924 1.060 10.109 410 HD11 LEU 47 HD11 LEU 47 -1.243 1.947 12.211 411 HD12 LEU 47 HD12 LEU 47 -0.916 0.431 13.043 412 HD13 LEU 47 HD13 LEU 47 -2.453 0.671 12.204 413 HD21 LEU 47 HD21 LEU 47 1.234 1.092 10.922 414 HD22 LEU 47 HD22 LEU 47 1.148 -0.620 10.514 415 HD23 LEU 47 HD23 LEU 47 0.913 -0.089 12.174 416 H LYS 48 H LYS 48 -3.354 -2.301 8.658 417 HA LYS 48 HA LYS 48 -2.816 -5.092 8.984 418 HB2 LYS 48 HB2 LYS 48 -5.179 -3.630 7.803 419 HB3 LYS 48 HB3 LYS 48 -5.086 -5.387 7.906 420 HG2 LYS 48 HG2 LYS 48 -4.730 -5.238 10.344 421 HG3 LYS 48 HG3 LYS 48 -4.857 -3.484 10.265 422 HD2 LYS 48 HD2 LYS 48 -7.146 -3.682 9.372 423 HD3 LYS 48 HD3 LYS 48 -7.060 -5.439 9.488 424 HE2 LYS 48 HE2 LYS 48 -6.918 -3.455 11.795 425 HE3 LYS 48 HE3 LYS 48 -8.201 -4.607 11.440 426 HZ1 LYS 48 HZ1 LYS 48 -5.458 -5.159 12.402 427 HZ2 LYS 48 HZ2 LYS 48 -6.376 -6.396 11.699 428 HZ3 LYS 48 HZ3 LYS 48 -6.899 -5.573 13.095 429 H ILE 49 H ILE 49 -3.086 -2.938 6.210 430 HA ILE 49 HA ILE 49 -2.775 -4.932 4.227 431 HB ILE 49 HB ILE 49 -2.121 -1.995 4.216 432 HG12 ILE 49 HG12 ILE 49 -4.267 -3.530 2.735 433 HG13 ILE 49 HG13 ILE 49 -4.596 -2.760 4.269 434 HG21 ILE 49 HG21 ILE 49 -0.865 -2.299 2.407 435 HG22 ILE 49 HG22 ILE 49 -2.322 -2.771 1.554 436 HG23 ILE 49 HG23 ILE 49 -1.289 -4.001 2.273 437 HD11 ILE 49 HD11 ILE 49 -3.930 -1.502 1.629 438 HD12 ILE 49 HD12 ILE 49 -3.626 -0.617 3.123 439 HD13 ILE 49 HD13 ILE 49 -5.261 -1.147 2.725 440 H ALA 50 H ALA 50 -0.461 -2.922 5.966 441 HA ALA 50 HA ALA 50 1.876 -3.714 4.683 442 HB1 ALA 50 HB1 ALA 50 2.767 -3.372 7.201 443 HB2 ALA 50 HB2 ALA 50 1.193 -2.589 7.346 444 HB3 ALA 50 HB3 ALA 50 2.344 -2.045 6.123 445 H TYR 51 H TYR 51 0.128 -5.224 7.354 446 HA TYR 51 HA TYR 51 1.955 -7.314 7.876 447 HB2 TYR 51 HB2 TYR 51 0.191 -6.853 9.458 448 HB3 TYR 51 HB3 TYR 51 -1.051 -7.189 8.260 449 HD1 TYR 51 HD1 TYR 51 1.710 -8.741 10.247 450 HD2 TYR 51 HD2 TYR 51 -1.756 -9.423 7.779 451 HE1 TYR 51 HE1 TYR 51 1.744 -11.131 10.845 452 HE2 TYR 51 HE2 TYR 51 -1.711 -11.810 8.382 453 HH TYR 51 HH TYR 51 0.440 -13.429 9.247 454 H TYR 52 H TYR 52 -0.951 -7.230 5.843 455 HA TYR 52 HA TYR 52 -0.601 -9.868 4.777 456 HB2 TYR 52 HB2 TYR 52 -2.224 -7.536 3.724 457 HB3 TYR 52 HB3 TYR 52 -2.292 -9.168 3.086 458 HD1 TYR 52 HD1 TYR 52 -2.802 -11.100 4.806 459 HD2 TYR 52 HD2 TYR 52 -3.643 -6.949 5.523 460 HE1 TYR 52 HE1 TYR 52 -4.413 -11.731 6.560 461 HE2 TYR 52 HE2 TYR 52 -5.242 -7.569 7.281 462 HH TYR 52 HH TYR 52 -5.436 -10.748 8.541 463 H LEU 53 H LEU 53 0.342 -6.673 3.799 464 HA LEU 53 HA LEU 53 1.098 -7.414 1.191 465 HB2 LEU 53 HB2 LEU 53 0.250 -5.208 1.615 466 HB3 LEU 53 HB3 LEU 53 1.562 -4.869 2.737 467 HG LEU 53 HG LEU 53 3.194 -4.957 0.964 468 HD11 LEU 53 HD11 LEU 53 2.105 -6.764 -0.398 469 HD12 LEU 53 HD12 LEU 53 2.571 -5.413 -1.363 470 HD13 LEU 53 HD13 LEU 53 0.865 -5.614 -0.889 471 HD21 LEU 53 HD21 LEU 53 0.801 -3.356 0.024 472 HD22 LEU 53 HD22 LEU 53 2.503 -3.045 -0.345 473 HD23 LEU 53 HD23 LEU 53 1.910 -2.877 1.308 474 H ASN 54 H ASN 54 2.724 -8.010 4.007 475 HA ASN 54 HA ASN 54 4.904 -8.693 4.416 476 HB2 ASN 54 HB2 ASN 54 5.014 -8.726 1.406 477 HB3 ASN 54 HB3 ASN 54 6.352 -9.158 2.439 478 HD21 ASN 54 HD21 ASN 54 4.371 -10.826 0.609 479 HD22 ASN 54 HD22 ASN 54 3.903 -12.094 1.622 480 H THR 55 H THR 55 4.331 -5.997 4.576 481 HA THR 55 HA THR 55 6.946 -5.005 4.483 482 HB THR 55 HB THR 55 5.286 -4.566 2.263 483 HG1 THR 55 HG1 THR 55 7.788 -3.324 2.890 484 HG21 THR 55 HG21 THR 55 5.543 -2.034 2.061 485 HG22 THR 55 HG22 THR 55 5.854 -2.012 3.793 486 HG23 THR 55 HG23 THR 55 4.312 -2.601 3.171 487 HA PRO 56 HA PRO 56 4.735 -3.427 8.063 488 HB2 PRO 56 HB2 PRO 56 7.264 -1.894 8.407 489 HB3 PRO 56 HB3 PRO 56 6.376 -2.898 9.567 490 HG2 PRO 56 HG2 PRO 56 8.588 -3.777 8.433 491 HG3 PRO 56 HG3 PRO 56 7.236 -4.872 8.748 492 HD2 PRO 56 HD2 PRO 56 8.177 -3.808 6.123 493 HD3 PRO 56 HD3 PRO 56 7.329 -5.303 6.513 494 H LEU 57 H LEU 57 3.705 -1.491 8.635 495 HA LEU 57 HA LEU 57 3.286 0.445 6.625 496 HB2 LEU 57 HB2 LEU 57 1.729 -0.075 8.542 497 HB3 LEU 57 HB3 LEU 57 2.843 0.780 9.608 498 HG LEU 57 HG LEU 57 0.800 2.074 8.665 499 HD11 LEU 57 HD11 LEU 57 1.943 3.827 9.415 500 HD12 LEU 57 HD12 LEU 57 2.918 3.861 7.961 501 HD13 LEU 57 HD13 LEU 57 3.443 2.908 9.343 502 HD21 LEU 57 HD21 LEU 57 0.861 2.850 6.440 503 HD22 LEU 57 HD22 LEU 57 1.466 1.209 6.255 504 HD23 LEU 57 HD23 LEU 57 2.584 2.577 6.293 505 H GLU 58 H GLU 58 5.325 0.276 9.471 506 HA GLU 58 HA GLU 58 6.535 2.852 9.209 507 HB2 GLU 58 HB2 GLU 58 7.463 0.312 10.566 508 HB3 GLU 58 HB3 GLU 58 8.319 1.843 10.658 509 HG2 GLU 58 HG2 GLU 58 6.357 2.940 11.638 510 HG3 GLU 58 HG3 GLU 58 5.425 1.460 11.485 511 H ASP 59 H ASP 59 6.951 -0.194 7.598 512 HA ASP 59 HA ASP 59 9.595 0.248 6.592 513 HB2 ASP 59 HB2 ASP 59 8.649 -1.994 6.677 514 HB3 ASP 59 HB3 ASP 59 7.381 -1.566 5.542 515 H ILE 60 H ILE 60 6.362 1.073 5.551 516 HA ILE 60 HA ILE 60 7.431 2.373 3.141 517 HB ILE 60 HB ILE 60 5.121 2.781 2.511 518 HG12 ILE 60 HG12 ILE 60 4.356 1.271 5.030 519 HG13 ILE 60 HG13 ILE 60 4.210 3.029 4.884 520 HG21 ILE 60 HG21 ILE 60 4.548 0.062 3.032 521 HG22 ILE 60 HG22 ILE 60 6.300 0.162 2.953 522 HG23 ILE 60 HG23 ILE 60 5.322 0.722 1.596 523 HD11 ILE 60 HD11 ILE 60 2.903 2.280 2.641 524 HD12 ILE 60 HD12 ILE 60 2.092 2.475 4.195 525 HD13 ILE 60 HD13 ILE 60 2.585 0.870 3.649 526 H PHE 61 H PHE 61 6.213 3.122 6.309 527 HA PHE 61 HA PHE 61 5.706 5.881 5.810 528 HB2 PHE 61 HB2 PHE 61 4.802 4.538 7.786 529 HB3 PHE 61 HB3 PHE 61 6.408 4.697 8.494 530 HD1 PHE 61 HD1 PHE 61 3.835 6.887 6.832 531 HD2 PHE 61 HD2 PHE 61 6.781 6.473 9.928 532 HE1 PHE 61 HE1 PHE 61 3.270 9.146 7.670 533 HE2 PHE 61 HE2 PHE 61 6.214 8.749 10.763 534 HZ PHE 61 HZ PHE 61 4.455 10.077 9.630 535 H GLN 62 H GLN 62 7.938 5.619 4.561 536 HA GLN 62 HA GLN 62 10.004 6.891 6.261 537 HB2 GLN 62 HB2 GLN 62 10.297 5.446 3.633 538 HB3 GLN 62 HB3 GLN 62 11.632 6.185 4.541 539 HG2 GLN 62 HG2 GLN 62 9.869 3.875 5.439 540 HG3 GLN 62 HG3 GLN 62 11.555 3.766 4.974 541 HE21 GLN 62 HE21 GLN 62 9.769 3.687 7.687 542 HE22 GLN 62 HE22 GLN 62 10.822 4.455 8.768 543 H TRP 63 H TRP 63 10.688 8.898 5.671 544 HA TRP 63 HA TRP 63 8.788 10.333 4.239 545 HB2 TRP 63 HB2 TRP 63 10.757 11.065 6.032 546 HB3 TRP 63 HB3 TRP 63 11.264 11.867 4.554 547 HD1 TRP 63 HD1 TRP 63 9.920 13.909 3.774 548 HE1 TRP 63 HE1 TRP 63 7.783 15.091 4.590 549 HE3 TRP 63 HE3 TRP 63 8.339 10.532 7.244 550 HZ2 TRP 63 HZ2 TRP 63 5.672 14.647 6.483 551 HZ3 TRP 63 HZ3 TRP 63 6.272 10.922 8.534 552 HH2 TRP 63 HH2 TRP 63 4.929 12.983 8.157 553 H GLN 64 H GLN 64 8.895 8.971 2.367 554 HA GLN 64 HA GLN 64 10.551 10.280 0.292 555 HB2 GLN 64 HB2 GLN 64 9.529 7.475 0.506 556 HB3 GLN 64 HB3 GLN 64 9.385 8.226 -1.086 557 HG2 GLN 64 HG2 GLN 64 11.986 8.872 -0.135 558 HG3 GLN 64 HG3 GLN 64 11.743 7.184 0.241 559 HE21 GLN 64 HE21 GLN 64 12.917 9.120 -2.166 560 HE22 GLN 64 HE22 GLN 64 12.619 8.118 -3.495 561 HA PRO 65 HA PRO 65 5.865 10.865 -0.876 562 HB2 PRO 65 HB2 PRO 65 4.639 10.034 1.701 563 HB3 PRO 65 HB3 PRO 65 4.061 9.779 0.041 564 HG2 PRO 65 HG2 PRO 65 5.029 7.751 1.402 565 HG3 PRO 65 HG3 PRO 65 5.444 7.946 -0.312 566 HD2 PRO 65 HD2 PRO 65 7.087 8.615 2.095 567 HD3 PRO 65 HD3 PRO 65 7.576 7.791 0.583 568 H GLU 66 H GLU 66 5.111 12.976 -0.411 569 HA GLU 66 HA GLU 66 6.593 14.487 1.505 570 HB2 GLU 66 HB2 GLU 66 4.137 15.569 0.157 571 HB3 GLU 66 HB3 GLU 66 5.656 16.371 0.550 572 HG2 GLU 66 HG2 GLU 66 6.071 16.059 -1.689 573 HG3 GLU 66 HG3 GLU 66 6.635 14.516 -1.125 Start of MODEL 11 1 H1 MET 1 H1 MET 1 17.916 8.819 -0.505 2 HA MET 1 HA MET 1 16.785 7.427 0.921 3 HB2 MET 1 HB2 MET 1 16.866 9.896 2.647 4 HB3 MET 1 HB3 MET 1 16.287 8.338 3.214 5 HG2 MET 1 HG2 MET 1 19.053 8.868 2.092 6 HG3 MET 1 HG3 MET 1 18.677 8.652 3.798 7 HE1 MET 1 HE1 MET 1 16.484 5.993 3.742 8 HE2 MET 1 HE2 MET 1 17.616 6.849 4.803 9 HE3 MET 1 HE3 MET 1 17.875 5.163 4.415 10 H ILE 2 H ILE 2 15.336 9.395 -0.916 11 HA ILE 2 HA ILE 2 12.828 9.962 0.254 12 HB ILE 2 HB ILE 2 12.030 9.708 -2.232 13 HG12 ILE 2 HG12 ILE 2 14.389 8.503 -2.669 14 HG13 ILE 2 HG13 ILE 2 13.637 9.506 -3.895 15 HG21 ILE 2 HG21 ILE 2 13.018 11.980 -2.731 16 HG22 ILE 2 HG22 ILE 2 13.954 11.838 -1.243 17 HG23 ILE 2 HG23 ILE 2 12.213 11.858 -1.176 18 HD11 ILE 2 HD11 ILE 2 16.157 9.876 -3.275 19 HD12 ILE 2 HD12 ILE 2 15.523 10.824 -1.933 20 HD13 ILE 2 HD13 ILE 2 15.131 11.256 -3.596 21 H ILE 3 H ILE 3 11.147 8.709 0.715 22 HA ILE 3 HA ILE 3 11.592 5.866 0.684 23 HB ILE 3 HB ILE 3 9.049 7.251 1.579 24 HG12 ILE 3 HG12 ILE 3 11.038 8.350 2.650 25 HG13 ILE 3 HG13 ILE 3 10.094 7.423 3.811 26 HG21 ILE 3 HG21 ILE 3 9.323 5.267 3.278 27 HG22 ILE 3 HG22 ILE 3 10.319 4.568 2.020 28 HG23 ILE 3 HG23 ILE 3 8.630 4.999 1.684 29 HD11 ILE 3 HD11 ILE 3 12.628 6.468 2.435 30 HD12 ILE 3 HD12 ILE 3 11.674 5.527 3.582 31 HD13 ILE 3 HD13 ILE 3 12.504 7.001 4.094 32 H ASN 4 H ASN 4 10.857 4.424 -0.657 33 HA ASN 4 HA ASN 4 9.628 5.130 -3.101 34 HB2 ASN 4 HB2 ASN 4 10.169 2.479 -1.775 35 HB3 ASN 4 HB3 ASN 4 9.441 2.606 -3.371 36 HD21 ASN 4 HD21 ASN 4 11.988 1.349 -3.028 37 HD22 ASN 4 HD22 ASN 4 13.171 2.301 -3.754 38 H ASN 5 H ASN 5 7.581 4.807 -3.826 39 HA ASN 5 HA ASN 5 5.479 5.111 -1.965 40 HB2 ASN 5 HB2 ASN 5 5.506 5.942 -4.380 41 HB3 ASN 5 HB3 ASN 5 5.095 4.290 -4.832 42 HD21 ASN 5 HD21 ASN 5 3.799 7.276 -3.659 43 HD22 ASN 5 HD22 ASN 5 2.224 6.727 -3.387 44 H LEU 6 H LEU 6 3.467 3.784 -2.122 45 HA LEU 6 HA LEU 6 3.807 1.197 -1.080 46 HB2 LEU 6 HB2 LEU 6 1.764 2.898 -1.037 47 HB3 LEU 6 HB3 LEU 6 1.306 2.081 -2.508 48 HG LEU 6 HG LEU 6 0.188 1.055 -0.601 49 HD11 LEU 6 HD11 LEU 6 2.292 -0.942 -1.391 50 HD12 LEU 6 HD12 LEU 6 1.108 -0.366 -2.571 51 HD13 LEU 6 HD13 LEU 6 0.577 -1.183 -1.120 52 HD21 LEU 6 HD21 LEU 6 2.761 -0.003 0.496 53 HD22 LEU 6 HD22 LEU 6 1.236 0.316 1.314 54 HD23 LEU 6 HD23 LEU 6 2.312 1.651 0.912 55 H LYS 7 H LYS 7 3.060 2.423 -4.309 56 HA LYS 7 HA LYS 7 2.617 -0.075 -5.611 57 HB2 LYS 7 HB2 LYS 7 4.159 1.717 -7.310 58 HB3 LYS 7 HB3 LYS 7 2.519 1.169 -7.507 59 HG2 LYS 7 HG2 LYS 7 3.367 3.472 -5.729 60 HG3 LYS 7 HG3 LYS 7 2.789 3.636 -7.359 61 HD2 LYS 7 HD2 LYS 7 0.646 2.504 -6.681 62 HD3 LYS 7 HD3 LYS 7 1.202 2.545 -5.005 63 HE2 LYS 7 HE2 LYS 7 1.480 5.060 -5.225 64 HE3 LYS 7 HE3 LYS 7 0.782 4.933 -6.811 65 HZ1 LYS 7 HZ1 LYS 7 -1.043 5.406 -5.582 66 HZ2 LYS 7 HZ2 LYS 7 -0.592 4.532 -4.219 67 HZ3 LYS 7 HZ3 LYS 7 -1.162 3.734 -5.605 68 H LEU 8 H LEU 8 5.462 1.880 -5.082 69 HA LEU 8 HA LEU 8 7.262 0.305 -6.467 70 HB2 LEU 8 HB2 LEU 8 7.586 2.444 -4.383 71 HB3 LEU 8 HB3 LEU 8 8.975 1.504 -4.925 72 HG LEU 8 HG LEU 8 8.511 3.682 -6.176 73 HD11 LEU 8 HD11 LEU 8 10.050 2.441 -7.323 74 HD12 LEU 8 HD12 LEU 8 8.738 2.324 -8.487 75 HD13 LEU 8 HD13 LEU 8 9.042 1.000 -7.378 76 HD21 LEU 8 HD21 LEU 8 6.006 3.308 -6.404 77 HD22 LEU 8 HD22 LEU 8 6.364 2.014 -7.557 78 HD23 LEU 8 HD23 LEU 8 6.822 3.676 -7.900 79 H ILE 9 H ILE 9 6.366 0.310 -3.037 80 HA ILE 9 HA ILE 9 8.246 -1.689 -2.233 81 HB ILE 9 HB ILE 9 5.525 -1.138 -0.989 82 HG12 ILE 9 HG12 ILE 9 6.807 0.995 -1.012 83 HG13 ILE 9 HG13 ILE 9 6.787 0.318 0.583 84 HG21 ILE 9 HG21 ILE 9 7.870 -2.806 -0.250 85 HG22 ILE 9 HG22 ILE 9 6.178 -2.972 0.221 86 HG23 ILE 9 HG23 ILE 9 7.209 -1.818 1.044 87 HD11 ILE 9 HD11 ILE 9 8.991 -0.737 0.242 88 HD12 ILE 9 HD12 ILE 9 9.044 1.017 0.116 89 HD13 ILE 9 HD13 ILE 9 9.107 0.047 -1.346 90 H ARG 10 H ARG 10 4.974 -1.788 -3.423 91 HA ARG 10 HA ARG 10 4.260 -4.427 -3.012 92 HB2 ARG 10 HB2 ARG 10 2.821 -2.573 -3.881 93 HB3 ARG 10 HB3 ARG 10 3.638 -2.747 -5.429 94 HG2 ARG 10 HG2 ARG 10 2.927 -5.155 -5.449 95 HG3 ARG 10 HG3 ARG 10 1.934 -4.822 -4.038 96 HD2 ARG 10 HD2 ARG 10 0.534 -4.557 -6.002 97 HD3 ARG 10 HD3 ARG 10 0.818 -2.959 -5.301 98 HE ARG 10 HE ARG 10 2.583 -3.938 -7.454 99 HH11 ARG 10 HH11 ARG 10 0.156 -1.629 -6.341 100 HH12 ARG 10 HH12 ARG 10 0.364 -0.618 -7.688 101 HH21 ARG 10 HH21 ARG 10 2.849 -2.505 -9.222 102 HH22 ARG 10 HH22 ARG 10 1.904 -1.098 -9.306 103 H GLU 11 H GLU 11 5.956 -3.038 -5.877 104 HA GLU 11 HA GLU 11 5.850 -5.386 -7.414 105 HB2 GLU 11 HB2 GLU 11 8.279 -4.064 -8.093 106 HB3 GLU 11 HB3 GLU 11 6.781 -4.054 -8.988 107 HG2 GLU 11 HG2 GLU 11 6.010 -2.133 -7.636 108 HG3 GLU 11 HG3 GLU 11 7.501 -2.162 -6.732 109 H LYS 12 H LYS 12 8.224 -4.287 -5.158 110 HA LYS 12 HA LYS 12 10.307 -5.931 -5.944 111 HB2 LYS 12 HB2 LYS 12 9.897 -5.025 -3.076 112 HB3 LYS 12 HB3 LYS 12 11.412 -5.291 -3.935 113 HG2 LYS 12 HG2 LYS 12 9.380 -3.143 -4.566 114 HG3 LYS 12 HG3 LYS 12 10.959 -2.903 -3.840 115 HD2 LYS 12 HD2 LYS 12 12.087 -3.526 -5.826 116 HD3 LYS 12 HD3 LYS 12 10.612 -4.116 -6.614 117 HE2 LYS 12 HE2 LYS 12 9.652 -1.872 -6.442 118 HE3 LYS 12 HE3 LYS 12 11.167 -1.286 -5.756 119 HZ1 LYS 12 HZ1 LYS 12 11.870 -0.986 -7.866 120 HZ2 LYS 12 HZ2 LYS 12 10.397 -1.592 -8.395 121 HZ3 LYS 12 HZ3 LYS 12 11.698 -2.659 -8.187 122 H LYS 13 H LYS 13 7.786 -6.463 -3.614 123 HA LYS 13 HA LYS 13 8.802 -9.095 -2.907 124 HB2 LYS 13 HB2 LYS 13 6.801 -9.113 -1.361 125 HB3 LYS 13 HB3 LYS 13 7.994 -7.827 -1.095 126 HG2 LYS 13 HG2 LYS 13 6.599 -6.220 -2.273 127 HG3 LYS 13 HG3 LYS 13 5.439 -7.465 -2.694 128 HD2 LYS 13 HD2 LYS 13 4.389 -6.758 -0.846 129 HD3 LYS 13 HD3 LYS 13 5.516 -7.837 -0.017 130 HE2 LYS 13 HE2 LYS 13 6.569 -5.101 -0.520 131 HE3 LYS 13 HE3 LYS 13 5.190 -5.161 0.536 132 HZ1 LYS 13 HZ1 LYS 13 7.061 -5.377 1.877 133 HZ2 LYS 13 HZ2 LYS 13 7.827 -6.459 0.896 134 HZ3 LYS 13 HZ3 LYS 13 6.523 -6.963 1.851 135 H LYS 14 H LYS 14 7.227 -8.002 -5.459 136 HA LYS 14 HA LYS 14 5.939 -8.898 -7.111 137 HB2 LYS 14 HB2 LYS 14 6.422 -11.631 -5.961 138 HB3 LYS 14 HB3 LYS 14 6.309 -11.149 -7.646 139 HG2 LYS 14 HG2 LYS 14 8.615 -10.664 -5.718 140 HG3 LYS 14 HG3 LYS 14 8.595 -11.629 -7.186 141 HD2 LYS 14 HD2 LYS 14 7.917 -9.189 -8.283 142 HD3 LYS 14 HD3 LYS 14 8.790 -8.693 -6.861 143 HE2 LYS 14 HE2 LYS 14 9.830 -10.246 -9.187 144 HE3 LYS 14 HE3 LYS 14 10.523 -8.828 -8.404 145 HZ1 LYS 14 HZ1 LYS 14 11.741 -10.842 -7.916 146 HZ2 LYS 14 HZ2 LYS 14 10.408 -11.588 -7.246 147 HZ3 LYS 14 HZ3 LYS 14 11.098 -10.242 -6.491 148 H ILE 15 H ILE 15 4.395 -7.990 -5.014 149 HA ILE 15 HA ILE 15 2.282 -10.041 -4.815 150 HB ILE 15 HB ILE 15 3.179 -7.907 -2.911 151 HG12 ILE 15 HG12 ILE 15 1.976 -10.071 -1.607 152 HG13 ILE 15 HG13 ILE 15 2.777 -10.809 -2.976 153 HG21 ILE 15 HG21 ILE 15 0.365 -8.803 -3.335 154 HG22 ILE 15 HG22 ILE 15 0.955 -7.150 -3.110 155 HG23 ILE 15 HG23 ILE 15 0.897 -8.274 -1.746 156 HD11 ILE 15 HD11 ILE 15 4.017 -9.064 -0.838 157 HD12 ILE 15 HD12 ILE 15 4.843 -9.477 -2.339 158 HD13 ILE 15 HD13 ILE 15 4.389 -10.751 -1.223 159 H SER 16 H SER 16 0.333 -9.720 -5.660 160 HA SER 16 HA SER 16 0.051 -7.661 -7.619 161 HB2 SER 16 HB2 SER 16 -2.180 -9.378 -6.564 162 HB3 SER 16 HB3 SER 16 -1.985 -8.746 -8.166 163 HG SER 16 HG SER 16 -0.713 -10.831 -6.843 164 H GLN 17 H GLN 17 -1.465 -5.983 -7.681 165 HA GLN 17 HA GLN 17 -1.850 -4.594 -5.244 166 HB2 GLN 17 HB2 GLN 17 -3.591 -3.281 -6.612 167 HB3 GLN 17 HB3 GLN 17 -1.933 -3.224 -7.193 168 HG2 GLN 17 HG2 GLN 17 -2.401 -4.510 -9.057 169 HG3 GLN 17 HG3 GLN 17 -3.657 -5.429 -8.251 170 HE21 GLN 17 HE21 GLN 17 -3.061 -2.699 -10.268 171 HE22 GLN 17 HE22 GLN 17 -4.669 -2.156 -10.324 172 H SER 18 H SER 18 -3.664 -6.959 -7.032 173 HA SER 18 HA SER 18 -6.147 -6.780 -5.751 174 HB2 SER 18 HB2 SER 18 -5.883 -9.414 -6.338 175 HB3 SER 18 HB3 SER 18 -6.326 -8.168 -7.496 176 HG SER 18 HG SER 18 -4.532 -9.565 -8.078 177 H GLU 19 H GLU 19 -3.163 -8.516 -4.914 178 HA GLU 19 HA GLU 19 -4.167 -9.975 -2.740 179 HB2 GLU 19 HB2 GLU 19 -1.487 -9.069 -3.622 180 HB3 GLU 19 HB3 GLU 19 -1.615 -9.512 -1.923 181 HG2 GLU 19 HG2 GLU 19 -1.051 -11.505 -2.871 182 HG3 GLU 19 HG3 GLU 19 -2.807 -11.661 -2.951 183 H LEU 20 H LEU 20 -2.403 -6.947 -2.694 184 HA LEU 20 HA LEU 20 -2.905 -6.471 0.060 185 HB2 LEU 20 HB2 LEU 20 -2.125 -4.123 -0.466 186 HB3 LEU 20 HB3 LEU 20 -0.992 -5.430 -0.815 187 HG LEU 20 HG LEU 20 -2.218 -5.304 -3.220 188 HD11 LEU 20 HD11 LEU 20 -3.509 -3.248 -1.979 189 HD12 LEU 20 HD12 LEU 20 -3.293 -3.429 -3.710 190 HD13 LEU 20 HD13 LEU 20 -2.198 -2.401 -2.804 191 HD21 LEU 20 HD21 LEU 20 0.018 -3.541 -2.164 192 HD22 LEU 20 HD22 LEU 20 -0.473 -3.572 -3.859 193 HD23 LEU 20 HD23 LEU 20 0.133 -5.039 -3.098 194 H ALA 21 H ALA 21 -4.486 -5.329 -2.863 195 HA ALA 21 HA ALA 21 -5.853 -3.237 -1.760 196 HB1 ALA 21 HB1 ALA 21 -5.550 -3.679 -4.192 197 HB2 ALA 21 HB2 ALA 21 -7.098 -3.070 -3.738 198 HB3 ALA 21 HB3 ALA 21 -6.898 -4.817 -4.100 199 H ALA 22 H ALA 22 -6.961 -6.582 -1.865 200 HA ALA 22 HA ALA 22 -9.669 -6.017 -1.158 201 HB1 ALA 22 HB1 ALA 22 -8.449 -8.268 -2.064 202 HB2 ALA 22 HB2 ALA 22 -10.019 -8.284 -1.248 203 HB3 ALA 22 HB3 ALA 22 -8.567 -8.640 -0.353 204 H LEU 23 H LEU 23 -6.897 -6.808 0.794 205 HA LEU 23 HA LEU 23 -8.211 -7.527 3.122 206 HB2 LEU 23 HB2 LEU 23 -5.378 -6.704 2.601 207 HB3 LEU 23 HB3 LEU 23 -5.934 -6.951 4.246 208 HG LEU 23 HG LEU 23 -5.042 -9.056 3.466 209 HD11 LEU 23 HD11 LEU 23 -6.707 -10.432 4.115 210 HD12 LEU 23 HD12 LEU 23 -7.939 -9.617 3.172 211 HD13 LEU 23 HD13 LEU 23 -7.365 -8.905 4.693 212 HD21 LEU 23 HD21 LEU 23 -5.540 -10.060 1.425 213 HD22 LEU 23 HD22 LEU 23 -5.550 -8.355 1.000 214 HD23 LEU 23 HD23 LEU 23 -7.075 -9.219 1.257 215 H LEU 24 H LEU 24 -7.426 -4.302 2.192 216 HA LEU 24 HA LEU 24 -7.236 -3.219 4.745 217 HB2 LEU 24 HB2 LEU 24 -7.994 -1.015 3.384 218 HB3 LEU 24 HB3 LEU 24 -6.368 -1.656 3.378 219 HG LEU 24 HG LEU 24 -8.343 -2.703 1.296 220 HD11 LEU 24 HD11 LEU 24 -8.441 -0.946 0.148 221 HD12 LEU 24 HD12 LEU 24 -6.732 -0.575 0.354 222 HD13 LEU 24 HD13 LEU 24 -7.919 -0.030 1.571 223 HD21 LEU 24 HD21 LEU 24 -5.397 -2.073 1.070 224 HD22 LEU 24 HD22 LEU 24 -6.408 -3.092 0.078 225 HD23 LEU 24 HD23 LEU 24 -5.943 -3.647 1.677 226 H GLU 25 H GLU 25 -9.885 -4.656 3.935 227 HA GLU 25 HA GLU 25 -12.029 -4.662 4.725 228 HB2 GLU 25 HB2 GLU 25 -10.859 -2.679 6.705 229 HB3 GLU 25 HB3 GLU 25 -12.469 -3.371 6.805 230 HG2 GLU 25 HG2 GLU 25 -11.544 -5.623 6.837 231 HG3 GLU 25 HG3 GLU 25 -9.917 -4.991 6.710 232 H VAL 26 H VAL 26 -11.232 -2.707 2.637 233 HA VAL 26 HA VAL 26 -13.739 -1.171 2.725 234 HB VAL 26 HB VAL 26 -12.600 0.697 1.527 235 HG11 VAL 26 HG11 VAL 26 -12.774 0.476 4.148 236 HG12 VAL 26 HG12 VAL 26 -11.776 1.737 3.439 237 HG13 VAL 26 HG13 VAL 26 -11.022 0.266 4.047 238 HG21 VAL 26 HG21 VAL 26 -10.042 -0.751 2.283 239 HG22 VAL 26 HG22 VAL 26 -10.169 0.777 1.421 240 HG23 VAL 26 HG23 VAL 26 -10.695 -0.712 0.642 241 H SER 27 H SER 27 -14.540 -0.765 0.495 242 HA SER 27 HA SER 27 -14.286 -3.108 -1.023 243 HB2 SER 27 HB2 SER 27 -15.262 -1.382 -2.883 244 HB3 SER 27 HB3 SER 27 -16.251 -2.108 -1.644 245 HG SER 27 HG SER 27 -16.611 -0.014 -1.473 246 H ARG 28 H ARG 28 -12.869 -3.727 -2.517 247 HA ARG 28 HA ARG 28 -10.419 -2.424 -2.779 248 HB2 ARG 28 HB2 ARG 28 -10.723 -4.855 -3.196 249 HB3 ARG 28 HB3 ARG 28 -11.613 -4.461 -4.684 250 HG2 ARG 28 HG2 ARG 28 -9.496 -3.088 -5.346 251 HG3 ARG 28 HG3 ARG 28 -8.843 -3.841 -3.936 252 HD2 ARG 28 HD2 ARG 28 -8.780 -6.002 -4.791 253 HD3 ARG 28 HD3 ARG 28 -10.042 -5.670 -5.982 254 HE ARG 28 HE ARG 28 -7.695 -4.083 -6.423 255 HH11 ARG 28 HH11 ARG 28 -9.106 -7.257 -6.895 256 HH12 ARG 28 HH12 ARG 28 -8.199 -7.613 -8.285 257 HH21 ARG 28 HH21 ARG 28 -6.459 -4.549 -8.316 258 HH22 ARG 28 HH22 ARG 28 -6.673 -6.047 -9.098 259 H GLN 29 H GLN 29 -13.176 -2.608 -4.921 260 HA GLN 29 HA GLN 29 -12.142 -1.231 -7.104 261 HB2 GLN 29 HB2 GLN 29 -14.557 -0.511 -7.502 262 HB3 GLN 29 HB3 GLN 29 -14.288 -2.241 -7.346 263 HG2 GLN 29 HG2 GLN 29 -14.993 -2.203 -5.008 264 HG3 GLN 29 HG3 GLN 29 -15.214 -0.454 -5.056 265 HE21 GLN 29 HE21 GLN 29 -16.713 0.135 -7.141 266 HE22 GLN 29 HE22 GLN 29 -18.124 -0.792 -7.266 267 H THR 30 H THR 30 -13.667 -0.021 -4.170 268 HA THR 30 HA THR 30 -13.590 2.710 -4.837 269 HB THR 30 HB THR 30 -13.390 1.609 -2.029 270 HG1 THR 30 HG1 THR 30 -15.287 0.739 -2.262 271 HG21 THR 30 HG21 THR 30 -13.422 3.980 -2.108 272 HG22 THR 30 HG22 THR 30 -15.071 3.502 -1.730 273 HG23 THR 30 HG23 THR 30 -14.657 4.012 -3.364 274 H ILE 31 H ILE 31 -11.376 0.637 -2.898 275 HA ILE 31 HA ILE 31 -9.590 2.780 -2.489 276 HB ILE 31 HB ILE 31 -9.796 0.452 -1.219 277 HG12 ILE 31 HG12 ILE 31 -8.394 2.600 -0.879 278 HG13 ILE 31 HG13 ILE 31 -7.918 1.246 0.028 279 HG21 ILE 31 HG21 ILE 31 -9.022 -0.972 -3.046 280 HG22 ILE 31 HG22 ILE 31 -7.844 -1.008 -1.764 281 HG23 ILE 31 HG23 ILE 31 -7.534 -0.051 -3.203 282 HD11 ILE 31 HD11 ILE 31 -6.641 2.209 -2.558 283 HD12 ILE 31 HD12 ILE 31 -6.219 0.658 -1.820 284 HD13 ILE 31 HD13 ILE 31 -5.926 2.164 -0.967 285 H ASN 32 H ASN 32 -9.604 0.170 -4.871 286 HA ASN 32 HA ASN 32 -7.148 0.968 -6.010 287 HB2 ASN 32 HB2 ASN 32 -9.375 -0.783 -7.031 288 HB3 ASN 32 HB3 ASN 32 -8.153 -0.205 -8.139 289 HD21 ASN 32 HD21 ASN 32 -5.912 -0.182 -6.184 290 HD22 ASN 32 HD22 ASN 32 -5.557 -1.808 -5.886 291 H GLY 33 H GLY 33 -10.453 1.973 -6.640 292 HA2 GLY 33 HA2 GLY 33 -9.849 3.695 -8.817 293 HA3 GLY 33 HA3 GLY 33 -11.216 3.867 -7.715 294 H ILE 34 H ILE 34 -10.006 4.157 -5.291 295 HA ILE 34 HA ILE 34 -9.187 6.822 -5.379 296 HB ILE 34 HB ILE 34 -9.668 4.849 -3.239 297 HG12 ILE 34 HG12 ILE 34 -10.725 7.160 -2.375 298 HG13 ILE 34 HG13 ILE 34 -10.396 7.642 -4.018 299 HG21 ILE 34 HG21 ILE 34 -8.672 6.184 -1.499 300 HG22 ILE 34 HG22 ILE 34 -7.924 7.274 -2.654 301 HG23 ILE 34 HG23 ILE 34 -7.422 5.589 -2.566 302 HD11 ILE 34 HD11 ILE 34 -11.631 5.753 -4.909 303 HD12 ILE 34 HD12 ILE 34 -12.641 6.791 -3.907 304 HD13 ILE 34 HD13 ILE 34 -12.051 5.256 -3.261 305 H GLU 35 H GLU 35 -7.336 3.879 -4.910 306 HA GLU 35 HA GLU 35 -4.826 5.153 -4.584 307 HB2 GLU 35 HB2 GLU 35 -5.675 2.534 -4.594 308 HB3 GLU 35 HB3 GLU 35 -4.850 2.637 -6.144 309 HG2 GLU 35 HG2 GLU 35 -3.156 3.962 -4.285 310 HG3 GLU 35 HG3 GLU 35 -3.737 2.511 -3.478 311 H LYS 36 H LYS 36 -6.869 4.362 -7.273 312 HA LYS 36 HA LYS 36 -5.000 5.096 -9.313 313 HB2 LYS 36 HB2 LYS 36 -6.861 3.406 -9.589 314 HB3 LYS 36 HB3 LYS 36 -7.980 4.778 -9.660 315 HG2 LYS 36 HG2 LYS 36 -6.714 5.689 -11.582 316 HG3 LYS 36 HG3 LYS 36 -5.593 4.341 -11.449 317 HD2 LYS 36 HD2 LYS 36 -7.447 2.755 -11.864 318 HD3 LYS 36 HD3 LYS 36 -8.556 4.106 -12.056 319 HE2 LYS 36 HE2 LYS 36 -6.192 3.415 -13.809 320 HE3 LYS 36 HE3 LYS 36 -7.883 3.493 -14.250 321 HZ1 LYS 36 HZ1 LYS 36 -6.069 5.745 -13.639 322 HZ2 LYS 36 HZ2 LYS 36 -7.750 5.941 -13.509 323 HZ3 LYS 36 HZ3 LYS 36 -7.062 5.499 -14.984 324 H ASN 37 H ASN 37 -4.994 7.221 -7.670 325 HA ASN 37 HA ASN 37 -4.717 9.506 -8.355 326 HB2 ASN 37 HB2 ASN 37 -7.333 9.186 -9.803 327 HB3 ASN 37 HB3 ASN 37 -6.521 10.664 -9.577 328 HD21 ASN 37 HD21 ASN 37 -6.788 8.578 -12.026 329 HD22 ASN 37 HD22 ASN 37 -5.254 8.694 -12.734 330 H LYS 38 H LYS 38 -6.658 8.134 -6.175 331 HA LYS 38 HA LYS 38 -7.686 10.818 -5.446 332 HB2 LYS 38 HB2 LYS 38 -9.206 8.749 -5.647 333 HB3 LYS 38 HB3 LYS 38 -8.533 8.330 -4.067 334 HG2 LYS 38 HG2 LYS 38 -10.449 9.627 -3.546 335 HG3 LYS 38 HG3 LYS 38 -9.077 10.738 -3.397 336 HD2 LYS 38 HD2 LYS 38 -9.482 11.525 -5.709 337 HD3 LYS 38 HD3 LYS 38 -10.851 10.442 -5.819 338 HE2 LYS 38 HE2 LYS 38 -11.698 12.675 -5.181 339 HE3 LYS 38 HE3 LYS 38 -11.946 11.488 -3.897 340 HZ1 LYS 38 HZ1 LYS 38 -10.497 12.594 -2.512 341 HZ2 LYS 38 HZ2 LYS 38 -10.779 13.873 -3.561 342 HZ3 LYS 38 HZ3 LYS 38 -9.420 12.934 -3.776 343 H TYR 39 H TYR 39 -6.465 7.895 -3.821 344 HA TYR 39 HA TYR 39 -4.521 9.514 -2.437 345 HB2 TYR 39 HB2 TYR 39 -6.244 7.790 -0.648 346 HB3 TYR 39 HB3 TYR 39 -5.187 9.097 -0.212 347 HD1 TYR 39 HD1 TYR 39 -5.808 11.508 -1.084 348 HD2 TYR 39 HD2 TYR 39 -8.569 8.213 -0.915 349 HE1 TYR 39 HE1 TYR 39 -7.713 13.085 -1.178 350 HE2 TYR 39 HE2 TYR 39 -10.450 9.773 -1.008 351 HH TYR 39 HH TYR 39 -10.588 12.479 -0.257 352 H ASN 40 H ASN 40 -2.955 8.102 -1.313 353 HA ASN 40 HA ASN 40 -2.763 5.411 -2.431 354 HB2 ASN 40 HB2 ASN 40 -0.857 7.217 -1.275 355 HB3 ASN 40 HB3 ASN 40 -1.007 5.885 -0.155 356 HD21 ASN 40 HD21 ASN 40 1.435 5.957 -1.314 357 HD22 ASN 40 HD22 ASN 40 1.591 4.814 -2.552 358 HA PRO 41 HA PRO 41 -4.901 3.380 0.857 359 HB2 PRO 41 HB2 PRO 41 -2.394 2.323 2.094 360 HB3 PRO 41 HB3 PRO 41 -3.877 1.460 1.638 361 HG2 PRO 41 HG2 PRO 41 -1.744 1.205 0.151 362 HG3 PRO 41 HG3 PRO 41 -3.325 1.401 -0.611 363 HD2 PRO 41 HD2 PRO 41 -1.138 3.427 -0.342 364 HD3 PRO 41 HD3 PRO 41 -2.282 3.173 -1.685 365 H SER 42 H SER 42 -5.699 4.295 2.747 366 HA SER 42 HA SER 42 -4.312 6.445 3.946 367 HB2 SER 42 HB2 SER 42 -6.722 5.062 5.166 368 HB3 SER 42 HB3 SER 42 -6.196 6.735 5.283 369 HG SER 42 HG SER 42 -7.894 5.759 3.565 370 H LEU 43 H LEU 43 -3.353 6.587 5.968 371 HA LEU 43 HA LEU 43 -1.760 4.436 6.655 372 HB2 LEU 43 HB2 LEU 43 -1.614 7.035 7.245 373 HB3 LEU 43 HB3 LEU 43 -2.371 6.507 8.735 374 HG LEU 43 HG LEU 43 -0.045 6.437 9.168 375 HD11 LEU 43 HD11 LEU 43 -1.318 4.309 9.797 376 HD12 LEU 43 HD12 LEU 43 0.426 4.193 9.663 377 HD13 LEU 43 HD13 LEU 43 -0.573 3.569 8.366 378 HD21 LEU 43 HD21 LEU 43 0.199 5.154 6.431 379 HD22 LEU 43 HD22 LEU 43 1.498 5.115 7.624 380 HD23 LEU 43 HD23 LEU 43 0.916 6.657 7.024 381 H GLN 44 H GLN 44 -4.743 5.558 8.179 382 HA GLN 44 HA GLN 44 -4.721 3.847 10.400 383 HB2 GLN 44 HB2 GLN 44 -7.114 4.961 8.896 384 HB3 GLN 44 HB3 GLN 44 -7.183 4.180 10.457 385 HG2 GLN 44 HG2 GLN 44 -5.736 5.817 11.470 386 HG3 GLN 44 HG3 GLN 44 -5.437 6.599 9.925 387 HE21 GLN 44 HE21 GLN 44 -8.681 5.720 9.891 388 HE22 GLN 44 HE22 GLN 44 -9.343 7.152 10.487 389 H LEU 45 H LEU 45 -6.024 3.322 7.142 390 HA LEU 45 HA LEU 45 -6.798 0.599 7.815 391 HB2 LEU 45 HB2 LEU 45 -7.500 0.389 5.452 392 HB3 LEU 45 HB3 LEU 45 -8.266 1.732 6.281 393 HG LEU 45 HG LEU 45 -6.215 3.117 5.310 394 HD11 LEU 45 HD11 LEU 45 -6.167 1.845 2.831 395 HD12 LEU 45 HD12 LEU 45 -5.948 0.527 3.979 396 HD13 LEU 45 HD13 LEU 45 -4.852 1.899 3.992 397 HD21 LEU 45 HD21 LEU 45 -8.501 3.645 4.702 398 HD22 LEU 45 HD22 LEU 45 -8.629 2.186 3.727 399 HD23 LEU 45 HD23 LEU 45 -7.593 3.515 3.204 400 H ALA 46 H ALA 46 -4.053 2.209 6.617 401 HA ALA 46 HA ALA 46 -2.950 0.416 4.914 402 HB1 ALA 46 HB1 ALA 46 -1.887 2.527 5.195 403 HB2 ALA 46 HB2 ALA 46 -0.715 1.280 5.588 404 HB3 ALA 46 HB3 ALA 46 -1.509 2.175 6.888 405 H LEU 47 H LEU 47 -3.054 0.209 8.407 406 HA LEU 47 HA LEU 47 -1.026 -1.694 8.769 407 HB2 LEU 47 HB2 LEU 47 -3.436 -0.946 10.404 408 HB3 LEU 47 HB3 LEU 47 -2.492 -2.355 10.850 409 HG LEU 47 HG LEU 47 -1.744 -0.365 12.057 410 HD11 LEU 47 HD11 LEU 47 0.478 -0.833 10.129 411 HD12 LEU 47 HD12 LEU 47 -0.127 -2.212 11.043 412 HD13 LEU 47 HD13 LEU 47 0.496 -0.793 11.884 413 HD21 LEU 47 HD21 LEU 47 -0.905 0.796 9.372 414 HD22 LEU 47 HD22 LEU 47 -0.816 1.559 10.952 415 HD23 LEU 47 HD23 LEU 47 -2.378 1.273 10.207 416 H LYS 48 H LYS 48 -4.510 -2.177 8.127 417 HA LYS 48 HA LYS 48 -4.457 -5.021 8.284 418 HB2 LYS 48 HB2 LYS 48 -6.285 -3.150 6.761 419 HB3 LYS 48 HB3 LYS 48 -6.509 -4.887 6.770 420 HG2 LYS 48 HG2 LYS 48 -6.470 -3.146 9.267 421 HG3 LYS 48 HG3 LYS 48 -7.926 -3.722 8.452 422 HD2 LYS 48 HD2 LYS 48 -6.782 -6.094 8.731 423 HD3 LYS 48 HD3 LYS 48 -5.893 -5.306 10.020 424 HE2 LYS 48 HE2 LYS 48 -8.734 -6.099 9.905 425 HE3 LYS 48 HE3 LYS 48 -7.680 -5.932 11.293 426 HZ1 LYS 48 HZ1 LYS 48 -9.199 -4.265 11.561 427 HZ2 LYS 48 HZ2 LYS 48 -9.303 -3.856 9.939 428 HZ3 LYS 48 HZ3 LYS 48 -7.940 -3.397 10.894 429 H ILE 49 H ILE 49 -4.086 -2.826 5.559 430 HA ILE 49 HA ILE 49 -3.722 -4.931 3.676 431 HB ILE 49 HB ILE 49 -4.552 -2.863 2.871 432 HG12 ILE 49 HG12 ILE 49 -2.503 -4.221 1.625 433 HG13 ILE 49 HG13 ILE 49 -3.450 -2.940 0.884 434 HG21 ILE 49 HG21 ILE 49 -2.054 -1.577 3.952 435 HG22 ILE 49 HG22 ILE 49 -3.736 -1.342 4.448 436 HG23 ILE 49 HG23 ILE 49 -3.211 -0.784 2.873 437 HD11 ILE 49 HD11 ILE 49 -0.982 -2.616 0.650 438 HD12 ILE 49 HD12 ILE 49 -0.854 -2.458 2.396 439 HD13 ILE 49 HD13 ILE 49 -1.767 -1.270 1.459 440 H ALA 50 H ALA 50 -1.477 -2.899 5.516 441 HA ALA 50 HA ALA 50 0.848 -3.642 4.174 442 HB1 ALA 50 HB1 ALA 50 1.934 -3.132 6.508 443 HB2 ALA 50 HB2 ALA 50 0.316 -2.556 6.912 444 HB3 ALA 50 HB3 ALA 50 1.194 -1.847 5.568 445 H TYR 51 H TYR 51 -0.789 -5.292 6.854 446 HA TYR 51 HA TYR 51 1.251 -7.230 7.337 447 HB2 TYR 51 HB2 TYR 51 -1.758 -7.596 7.571 448 HB3 TYR 51 HB3 TYR 51 -0.557 -8.706 8.190 449 HD1 TYR 51 HD1 TYR 51 1.393 -7.392 9.650 450 HD2 TYR 51 HD2 TYR 51 -2.706 -6.166 9.151 451 HE1 TYR 51 HE1 TYR 51 1.518 -6.089 11.728 452 HE2 TYR 51 HE2 TYR 51 -2.574 -4.873 11.225 453 HH TYR 51 HH TYR 51 -1.125 -3.982 12.741 454 H TYR 52 H TYR 52 -1.553 -7.229 5.210 455 HA TYR 52 HA TYR 52 -0.955 -9.739 4.036 456 HB2 TYR 52 HB2 TYR 52 -3.199 -8.365 4.027 457 HB3 TYR 52 HB3 TYR 52 -2.538 -7.662 2.555 458 HD1 TYR 52 HD1 TYR 52 -3.421 -10.876 4.185 459 HD2 TYR 52 HD2 TYR 52 -2.412 -8.915 0.494 460 HE1 TYR 52 HE1 TYR 52 -4.002 -12.909 2.950 461 HE2 TYR 52 HE2 TYR 52 -3.000 -10.965 -0.748 462 HH TYR 52 HH TYR 52 -4.443 -13.734 0.904 463 H LEU 53 H LEU 53 -0.278 -6.386 3.152 464 HA LEU 53 HA LEU 53 0.856 -6.950 0.674 465 HB2 LEU 53 HB2 LEU 53 0.267 -4.616 1.950 466 HB3 LEU 53 HB3 LEU 53 2.008 -4.636 2.146 467 HG LEU 53 HG LEU 53 0.423 -3.992 -0.202 468 HD11 LEU 53 HD11 LEU 53 3.360 -3.825 0.428 469 HD12 LEU 53 HD12 LEU 53 2.157 -2.547 0.587 470 HD13 LEU 53 HD13 LEU 53 2.615 -3.149 -1.015 471 HD21 LEU 53 HD21 LEU 53 0.795 -6.153 -1.167 472 HD22 LEU 53 HD22 LEU 53 2.440 -6.263 -0.536 473 HD23 LEU 53 HD23 LEU 53 2.056 -5.139 -1.820 474 H ASN 54 H ASN 54 1.884 -8.159 3.467 475 HA ASN 54 HA ASN 54 3.851 -9.087 4.192 476 HB2 ASN 54 HB2 ASN 54 4.314 -8.898 1.242 477 HB3 ASN 54 HB3 ASN 54 5.454 -9.652 2.337 478 HD21 ASN 54 HD21 ASN 54 3.052 -10.543 0.259 479 HD22 ASN 54 HD22 ASN 54 2.415 -11.884 1.063 480 H THR 55 H THR 55 3.691 -6.240 4.359 481 HA THR 55 HA THR 55 6.510 -5.725 4.455 482 HB THR 55 HB THR 55 4.960 -4.887 2.367 483 HG1 THR 55 HG1 THR 55 7.369 -3.458 2.896 484 HG21 THR 55 HG21 THR 55 5.195 -2.334 2.472 485 HG22 THR 55 HG22 THR 55 5.441 -2.520 4.209 486 HG23 THR 55 HG23 THR 55 3.937 -3.050 3.466 487 HA PRO 56 HA PRO 56 5.106 -4.121 8.378 488 HB2 PRO 56 HB2 PRO 56 7.592 -2.493 8.228 489 HB3 PRO 56 HB3 PRO 56 7.014 -3.557 9.516 490 HG2 PRO 56 HG2 PRO 56 8.966 -4.305 7.901 491 HG3 PRO 56 HG3 PRO 56 7.767 -5.479 8.468 492 HD2 PRO 56 HD2 PRO 56 8.086 -4.301 5.764 493 HD3 PRO 56 HD3 PRO 56 7.409 -5.859 6.272 494 H LEU 57 H LEU 57 4.102 -2.209 9.131 495 HA LEU 57 HA LEU 57 3.373 -0.177 7.296 496 HB2 LEU 57 HB2 LEU 57 2.306 -0.861 9.596 497 HB3 LEU 57 HB3 LEU 57 3.480 0.243 10.283 498 HG LEU 57 HG LEU 57 1.291 1.363 9.862 499 HD11 LEU 57 HD11 LEU 57 2.208 3.332 9.193 500 HD12 LEU 57 HD12 LEU 57 3.123 2.610 7.876 501 HD13 LEU 57 HD13 LEU 57 3.688 2.450 9.543 502 HD21 LEU 57 HD21 LEU 57 0.846 -0.061 7.725 503 HD22 LEU 57 HD22 LEU 57 1.856 1.126 6.890 504 HD23 LEU 57 HD23 LEU 57 0.395 1.639 7.702 505 H GLU 58 H GLU 58 5.841 -0.549 9.724 506 HA GLU 58 HA GLU 58 7.085 1.987 9.642 507 HB2 GLU 58 HB2 GLU 58 8.174 -0.777 10.198 508 HB3 GLU 58 HB3 GLU 58 9.050 0.718 10.473 509 HG2 GLU 58 HG2 GLU 58 7.381 1.482 12.053 510 HG3 GLU 58 HG3 GLU 58 6.365 0.073 11.733 511 H ASP 59 H ASP 59 7.045 -0.722 7.444 512 HA ASP 59 HA ASP 59 9.523 -0.242 6.107 513 HB2 ASP 59 HB2 ASP 59 8.025 -2.352 6.065 514 HB3 ASP 59 HB3 ASP 59 7.080 -1.483 4.864 515 H ILE 60 H ILE 60 6.240 0.904 5.778 516 HA ILE 60 HA ILE 60 7.019 2.606 3.507 517 HB ILE 60 HB ILE 60 4.641 3.029 3.177 518 HG12 ILE 60 HG12 ILE 60 4.172 1.040 5.428 519 HG13 ILE 60 HG13 ILE 60 3.966 2.783 5.622 520 HG21 ILE 60 HG21 ILE 60 5.018 0.064 3.560 521 HG22 ILE 60 HG22 ILE 60 5.840 0.946 2.270 522 HG23 ILE 60 HG23 ILE 60 4.065 0.899 2.338 523 HD11 ILE 60 HD11 ILE 60 2.562 2.096 3.275 524 HD12 ILE 60 HD12 ILE 60 1.855 2.535 4.833 525 HD13 ILE 60 HD13 ILE 60 2.193 0.834 4.407 526 H PHE 61 H PHE 61 6.166 2.740 6.873 527 HA PHE 61 HA PHE 61 5.783 5.630 6.797 528 HB2 PHE 61 HB2 PHE 61 4.483 4.203 8.348 529 HB3 PHE 61 HB3 PHE 61 5.971 3.795 9.202 530 HD1 PHE 61 HD1 PHE 61 7.256 5.566 10.425 531 HD2 PHE 61 HD2 PHE 61 3.453 6.388 8.574 532 HE1 PHE 61 HE1 PHE 61 7.073 7.668 11.707 533 HE2 PHE 61 HE2 PHE 61 3.287 8.478 9.859 534 HZ PHE 61 HZ PHE 61 5.093 9.129 11.430 535 H GLN 62 H GLN 62 7.513 6.855 6.572 536 HA GLN 62 HA GLN 62 9.716 6.637 8.405 537 HB2 GLN 62 HB2 GLN 62 10.191 6.256 5.411 538 HB3 GLN 62 HB3 GLN 62 11.452 6.596 6.598 539 HG2 GLN 62 HG2 GLN 62 10.901 4.512 7.799 540 HG3 GLN 62 HG3 GLN 62 9.636 4.172 6.629 541 HE21 GLN 62 HE21 GLN 62 10.436 2.434 5.425 542 HE22 GLN 62 HE22 GLN 62 11.954 2.418 4.687 543 H TRP 63 H TRP 63 11.150 8.252 6.101 544 HA TRP 63 HA TRP 63 10.792 10.784 7.119 545 HB2 TRP 63 HB2 TRP 63 11.697 9.929 4.363 546 HB3 TRP 63 HB3 TRP 63 11.647 11.604 4.870 547 HD1 TRP 63 HD1 TRP 63 13.836 8.621 5.027 548 HE1 TRP 63 HE1 TRP 63 15.806 9.077 6.604 549 HE3 TRP 63 HE3 TRP 63 12.183 12.876 7.282 550 HZ2 TRP 63 HZ2 TRP 63 16.587 11.010 8.577 551 HZ3 TRP 63 HZ3 TRP 63 13.559 14.007 9.007 552 HH2 TRP 63 HH2 TRP 63 15.748 13.085 9.650 553 H GLN 64 H GLN 64 8.938 9.252 4.539 554 HA GLN 64 HA GLN 64 6.965 11.384 4.798 555 HB2 GLN 64 HB2 GLN 64 7.103 11.096 1.998 556 HB3 GLN 64 HB3 GLN 64 7.562 12.470 2.966 557 HG2 GLN 64 HG2 GLN 64 9.555 12.172 1.965 558 HG3 GLN 64 HG3 GLN 64 9.883 11.023 3.226 559 HE21 GLN 64 HE21 GLN 64 7.585 9.315 1.678 560 HE22 GLN 64 HE22 GLN 64 8.512 8.609 0.455 561 HA PRO 65 HA PRO 65 4.765 7.346 4.525 562 HB2 PRO 65 HB2 PRO 65 2.775 9.165 5.803 563 HB3 PRO 65 HB3 PRO 65 3.204 7.495 6.224 564 HG2 PRO 65 HG2 PRO 65 4.071 9.447 7.744 565 HG3 PRO 65 HG3 PRO 65 5.177 8.136 7.313 566 HD2 PRO 65 HD2 PRO 65 5.051 10.905 6.193 567 HD3 PRO 65 HD3 PRO 65 6.475 9.918 6.599 568 H GLU 66 H GLU 66 3.725 10.657 3.923 569 HA GLU 66 HA GLU 66 2.500 11.693 2.316 570 HB2 GLU 66 HB2 GLU 66 3.339 9.304 0.666 571 HB3 GLU 66 HB3 GLU 66 2.665 10.790 0.017 572 HG2 GLU 66 HG2 GLU 66 4.592 12.053 1.124 573 HG3 GLU 66 HG3 GLU 66 5.210 10.490 1.583 Start of MODEL 12 1 H1 MET 1 H1 MET 1 11.275 7.580 3.502 2 HA MET 1 HA MET 1 10.250 9.778 1.841 3 HB2 MET 1 HB2 MET 1 13.131 9.379 2.641 4 HB3 MET 1 HB3 MET 1 12.594 10.513 1.401 5 HG2 MET 1 HG2 MET 1 11.803 10.560 4.333 6 HG3 MET 1 HG3 MET 1 12.885 11.701 3.552 7 HE1 MET 1 HE1 MET 1 12.391 13.130 1.749 8 HE2 MET 1 HE2 MET 1 10.811 13.769 1.261 9 HE3 MET 1 HE3 MET 1 11.360 12.220 0.632 10 H ILE 2 H ILE 2 12.865 7.317 1.845 11 HA ILE 2 HA ILE 2 12.590 6.878 -0.986 12 HB ILE 2 HB ILE 2 14.222 5.140 -0.709 13 HG12 ILE 2 HG12 ILE 2 13.990 5.534 2.307 14 HG13 ILE 2 HG13 ILE 2 13.295 4.163 1.434 15 HG21 ILE 2 HG21 ILE 2 15.136 7.156 1.317 16 HG22 ILE 2 HG22 ILE 2 14.683 7.720 -0.295 17 HG23 ILE 2 HG23 ILE 2 15.990 6.539 -0.104 18 HD11 ILE 2 HD11 ILE 2 15.875 4.380 2.459 19 HD12 ILE 2 HD12 ILE 2 16.096 4.575 0.733 20 HD13 ILE 2 HD13 ILE 2 15.314 3.128 1.343 21 H ILE 3 H ILE 3 11.201 5.643 1.875 22 HA ILE 3 HA ILE 3 10.179 3.191 0.797 23 HB ILE 3 HB ILE 3 8.805 3.188 2.825 24 HG12 ILE 3 HG12 ILE 3 9.891 6.031 3.138 25 HG13 ILE 3 HG13 ILE 3 8.217 5.511 3.029 26 HG21 ILE 3 HG21 ILE 3 11.633 4.146 3.462 27 HG22 ILE 3 HG22 ILE 3 11.274 2.519 2.887 28 HG23 ILE 3 HG23 ILE 3 10.628 3.077 4.428 29 HD11 ILE 3 HD11 ILE 3 8.612 4.157 5.127 30 HD12 ILE 3 HD12 ILE 3 8.560 5.918 5.292 31 HD13 ILE 3 HD13 ILE 3 10.118 5.056 5.278 32 H ASN 4 H ASN 4 9.297 6.505 0.693 33 HA ASN 4 HA ASN 4 7.415 7.648 -0.002 34 HB2 ASN 4 HB2 ASN 4 8.572 7.212 -2.078 35 HB3 ASN 4 HB3 ASN 4 7.802 5.646 -2.236 36 HD21 ASN 4 HD21 ASN 4 7.275 9.115 -2.576 37 HD22 ASN 4 HD22 ASN 4 5.725 9.000 -3.240 38 H ASN 5 H ASN 5 6.363 4.580 -1.382 39 HA ASN 5 HA ASN 5 4.207 4.379 0.555 40 HB2 ASN 5 HB2 ASN 5 3.502 5.903 -1.475 41 HB3 ASN 5 HB3 ASN 5 3.413 4.394 -2.342 42 HD21 ASN 5 HD21 ASN 5 1.314 6.375 -1.016 43 HD22 ASN 5 HD22 ASN 5 0.234 5.281 -0.284 44 H LEU 6 H LEU 6 3.151 2.350 0.473 45 HA LEU 6 HA LEU 6 4.927 0.294 0.019 46 HB2 LEU 6 HB2 LEU 6 3.144 -1.277 0.640 47 HB3 LEU 6 HB3 LEU 6 3.212 0.106 1.689 48 HG LEU 6 HG LEU 6 1.445 1.144 -0.016 49 HD11 LEU 6 HD11 LEU 6 0.746 -0.308 -1.576 50 HD12 LEU 6 HD12 LEU 6 0.047 -1.279 -0.287 51 HD13 LEU 6 HD13 LEU 6 1.661 -1.636 -0.869 52 HD21 LEU 6 HD21 LEU 6 0.993 0.870 2.277 53 HD22 LEU 6 HD22 LEU 6 1.064 -0.890 2.125 54 HD23 LEU 6 HD23 LEU 6 -0.309 -0.005 1.415 55 H LYS 7 H LYS 7 2.466 1.556 -2.111 56 HA LYS 7 HA LYS 7 2.215 -0.634 -3.838 57 HB2 LYS 7 HB2 LYS 7 2.007 1.201 -5.700 58 HB3 LYS 7 HB3 LYS 7 0.743 1.046 -4.491 59 HG2 LYS 7 HG2 LYS 7 2.894 2.863 -3.613 60 HG3 LYS 7 HG3 LYS 7 2.176 3.367 -5.134 61 HD2 LYS 7 HD2 LYS 7 -0.085 2.788 -3.900 62 HD3 LYS 7 HD3 LYS 7 0.848 3.120 -2.460 63 HE2 LYS 7 HE2 LYS 7 0.129 5.283 -2.939 64 HE3 LYS 7 HE3 LYS 7 1.596 5.291 -3.897 65 HZ1 LYS 7 HZ1 LYS 7 0.399 5.092 -5.851 66 HZ2 LYS 7 HZ2 LYS 7 -0.666 5.958 -4.877 67 HZ3 LYS 7 HZ3 LYS 7 -0.922 4.316 -5.075 68 H LEU 8 H LEU 8 4.731 1.793 -3.596 69 HA LEU 8 HA LEU 8 6.375 0.868 -5.759 70 HB2 LEU 8 HB2 LEU 8 7.046 2.354 -3.192 71 HB3 LEU 8 HB3 LEU 8 8.208 1.974 -4.441 72 HG LEU 8 HG LEU 8 7.555 4.189 -4.878 73 HD11 LEU 8 HD11 LEU 8 6.665 4.104 -7.047 74 HD12 LEU 8 HD12 LEU 8 5.667 2.702 -6.684 75 HD13 LEU 8 HD13 LEU 8 7.421 2.515 -6.867 76 HD21 LEU 8 HD21 LEU 8 4.621 3.522 -4.979 77 HD22 LEU 8 HD22 LEU 8 5.409 5.073 -4.737 78 HD23 LEU 8 HD23 LEU 8 5.419 3.923 -3.427 79 H ILE 9 H ILE 9 6.008 0.087 -2.348 80 HA ILE 9 HA ILE 9 8.193 -1.715 -2.188 81 HB ILE 9 HB ILE 9 5.681 -1.488 -0.441 82 HG12 ILE 9 HG12 ILE 9 7.169 0.523 -0.430 83 HG13 ILE 9 HG13 ILE 9 7.282 -0.347 1.086 84 HG21 ILE 9 HG21 ILE 9 6.318 -3.471 0.344 85 HG22 ILE 9 HG22 ILE 9 7.707 -2.624 1.040 86 HG23 ILE 9 HG23 ILE 9 7.868 -3.445 -0.498 87 HD11 ILE 9 HD11 ILE 9 9.285 -1.603 -0.245 88 HD12 ILE 9 HD12 ILE 9 9.535 -0.104 0.657 89 HD13 ILE 9 HD13 ILE 9 9.294 -0.059 -1.076 90 H ARG 10 H ARG 10 4.833 -2.092 -2.896 91 HA ARG 10 HA ARG 10 4.389 -4.806 -2.779 92 HB2 ARG 10 HB2 ARG 10 2.721 -2.997 -3.312 93 HB3 ARG 10 HB3 ARG 10 3.343 -2.992 -4.952 94 HG2 ARG 10 HG2 ARG 10 2.868 -5.600 -4.862 95 HG3 ARG 10 HG3 ARG 10 1.862 -5.151 -3.515 96 HD2 ARG 10 HD2 ARG 10 0.497 -5.136 -5.458 97 HD3 ARG 10 HD3 ARG 10 0.695 -3.470 -4.910 98 HE ARG 10 HE ARG 10 2.591 -4.460 -6.917 99 HH11 ARG 10 HH11 ARG 10 -0.270 -2.615 -6.223 100 HH12 ARG 10 HH12 ARG 10 -0.217 -1.713 -7.671 101 HH21 ARG 10 HH21 ARG 10 2.661 -3.288 -8.881 102 HH22 ARG 10 HH22 ARG 10 1.466 -2.120 -9.222 103 H GLU 11 H GLU 11 5.544 -2.952 -5.575 104 HA GLU 11 HA GLU 11 5.584 -5.121 -7.358 105 HB2 GLU 11 HB2 GLU 11 7.323 -3.561 -8.593 106 HB3 GLU 11 HB3 GLU 11 5.620 -3.134 -8.506 107 HG2 GLU 11 HG2 GLU 11 5.999 -1.612 -6.681 108 HG3 GLU 11 HG3 GLU 11 7.686 -2.175 -6.529 109 H LYS 12 H LYS 12 7.989 -3.871 -5.179 110 HA LYS 12 HA LYS 12 10.199 -5.197 -6.210 111 HB2 LYS 12 HB2 LYS 12 9.744 -4.670 -3.251 112 HB3 LYS 12 HB3 LYS 12 11.275 -4.824 -4.094 113 HG2 LYS 12 HG2 LYS 12 9.246 -2.604 -4.416 114 HG3 LYS 12 HG3 LYS 12 10.875 -2.457 -3.795 115 HD2 LYS 12 HD2 LYS 12 11.757 -3.208 -6.042 116 HD3 LYS 12 HD3 LYS 12 10.114 -3.159 -6.654 117 HE2 LYS 12 HE2 LYS 12 11.615 -0.824 -5.480 118 HE3 LYS 12 HE3 LYS 12 11.260 -1.177 -7.195 119 HZ1 LYS 12 HZ1 LYS 12 9.123 -0.557 -6.999 120 HZ2 LYS 12 HZ2 LYS 12 9.753 0.403 -5.795 121 HZ3 LYS 12 HZ3 LYS 12 8.930 -1.015 -5.371 122 H LYS 13 H LYS 13 7.734 -6.223 -3.988 123 HA LYS 13 HA LYS 13 8.917 -8.913 -3.766 124 HB2 LYS 13 HB2 LYS 13 7.106 -9.308 -2.123 125 HB3 LYS 13 HB3 LYS 13 8.286 -8.099 -1.640 126 HG2 LYS 13 HG2 LYS 13 6.789 -6.283 -2.355 127 HG3 LYS 13 HG3 LYS 13 5.595 -7.425 -2.924 128 HD2 LYS 13 HD2 LYS 13 4.693 -7.137 -0.877 129 HD3 LYS 13 HD3 LYS 13 5.891 -8.316 -0.349 130 HE2 LYS 13 HE2 LYS 13 6.851 -5.471 -0.415 131 HE3 LYS 13 HE3 LYS 13 5.569 -5.842 0.709 132 HZ1 LYS 13 HZ1 LYS 13 6.955 -7.637 1.660 133 HZ2 LYS 13 HZ2 LYS 13 7.586 -6.096 1.738 134 HZ3 LYS 13 HZ3 LYS 13 8.224 -7.206 0.615 135 H LYS 14 H LYS 14 7.318 -7.599 -6.079 136 HA LYS 14 HA LYS 14 5.883 -8.324 -7.715 137 HB2 LYS 14 HB2 LYS 14 6.791 -11.030 -6.732 138 HB3 LYS 14 HB3 LYS 14 6.106 -10.675 -8.312 139 HG2 LYS 14 HG2 LYS 14 8.705 -9.583 -7.189 140 HG3 LYS 14 HG3 LYS 14 8.568 -10.808 -8.449 141 HD2 LYS 14 HD2 LYS 14 7.611 -7.908 -8.703 142 HD3 LYS 14 HD3 LYS 14 9.074 -8.582 -9.343 143 HE2 LYS 14 HE2 LYS 14 7.872 -10.195 -10.734 144 HE3 LYS 14 HE3 LYS 14 6.333 -9.635 -10.131 145 HZ1 LYS 14 HZ1 LYS 14 7.971 -7.493 -11.162 146 HZ2 LYS 14 HZ2 LYS 14 6.353 -7.914 -11.523 147 HZ3 LYS 14 HZ3 LYS 14 7.628 -8.718 -12.269 148 H ILE 15 H ILE 15 4.411 -7.605 -5.589 149 HA ILE 15 HA ILE 15 2.298 -9.663 -5.554 150 HB ILE 15 HB ILE 15 3.110 -7.629 -3.488 151 HG12 ILE 15 HG12 ILE 15 1.773 -9.859 -2.423 152 HG13 ILE 15 HG13 ILE 15 2.724 -10.513 -3.736 153 HG21 ILE 15 HG21 ILE 15 0.834 -6.924 -4.013 154 HG22 ILE 15 HG22 ILE 15 0.840 -7.745 -2.457 155 HG23 ILE 15 HG23 ILE 15 0.288 -8.587 -3.906 156 HD11 ILE 15 HD11 ILE 15 4.119 -10.550 -1.781 157 HD12 ILE 15 HD12 ILE 15 3.694 -8.890 -1.381 158 HD13 ILE 15 HD13 ILE 15 4.723 -9.237 -2.784 159 H SER 16 H SER 16 0.181 -9.063 -6.066 160 HA SER 16 HA SER 16 0.028 -6.731 -7.842 161 HB2 SER 16 HB2 SER 16 -2.332 -8.419 -7.815 162 HB3 SER 16 HB3 SER 16 -1.291 -8.011 -9.149 163 HG SER 16 HG SER 16 -1.097 -10.080 -7.247 164 H GLN 17 H GLN 17 -2.303 -5.731 -7.850 165 HA GLN 17 HA GLN 17 -2.672 -4.635 -5.273 166 HB2 GLN 17 HB2 GLN 17 -4.373 -4.370 -7.766 167 HB3 GLN 17 HB3 GLN 17 -4.711 -3.544 -6.249 168 HG2 GLN 17 HG2 GLN 17 -2.087 -3.300 -7.751 169 HG3 GLN 17 HG3 GLN 17 -3.385 -2.123 -7.830 170 HE21 GLN 17 HE21 GLN 17 -3.862 -0.864 -5.826 171 HE22 GLN 17 HE22 GLN 17 -2.733 -0.769 -4.583 172 H SER 18 H SER 18 -4.286 -7.213 -7.005 173 HA SER 18 HA SER 18 -6.610 -7.370 -5.491 174 HB2 SER 18 HB2 SER 18 -5.071 -9.580 -6.866 175 HB3 SER 18 HB3 SER 18 -6.655 -9.824 -6.152 176 HG SER 18 HG SER 18 -6.064 -8.942 -8.528 177 H GLU 19 H GLU 19 -3.440 -8.786 -4.806 178 HA GLU 19 HA GLU 19 -4.183 -10.364 -2.634 179 HB2 GLU 19 HB2 GLU 19 -1.629 -8.946 -3.365 180 HB3 GLU 19 HB3 GLU 19 -1.710 -10.026 -2.002 181 HG2 GLU 19 HG2 GLU 19 -0.972 -11.385 -3.679 182 HG3 GLU 19 HG3 GLU 19 -2.715 -11.720 -3.737 183 H LEU 20 H LEU 20 -2.811 -7.124 -2.686 184 HA LEU 20 HA LEU 20 -3.205 -6.792 0.139 185 HB2 LEU 20 HB2 LEU 20 -2.264 -4.491 -0.313 186 HB3 LEU 20 HB3 LEU 20 -1.214 -5.865 -0.660 187 HG LEU 20 HG LEU 20 -2.153 -5.649 -3.113 188 HD11 LEU 20 HD11 LEU 20 -3.525 -3.514 -1.811 189 HD12 LEU 20 HD12 LEU 20 -3.624 -4.083 -3.474 190 HD13 LEU 20 HD13 LEU 20 -2.453 -2.849 -3.047 191 HD21 LEU 20 HD21 LEU 20 -0.100 -4.069 -1.667 192 HD22 LEU 20 HD22 LEU 20 -0.555 -3.461 -3.266 193 HD23 LEU 20 HD23 LEU 20 0.019 -5.113 -3.090 194 H ALA 21 H ALA 21 -4.715 -5.439 -2.725 195 HA ALA 21 HA ALA 21 -5.925 -3.282 -1.537 196 HB1 ALA 21 HB1 ALA 21 -5.760 -3.506 -3.913 197 HB2 ALA 21 HB2 ALA 21 -7.424 -3.209 -3.473 198 HB3 ALA 21 HB3 ALA 21 -6.901 -4.845 -3.931 199 H ALA 22 H ALA 22 -7.217 -6.531 -1.611 200 HA ALA 22 HA ALA 22 -9.845 -5.816 -0.744 201 HB1 ALA 22 HB1 ALA 22 -10.121 -8.192 -0.154 202 HB2 ALA 22 HB2 ALA 22 -8.391 -8.456 -0.428 203 HB3 ALA 22 HB3 ALA 22 -9.434 -7.988 -1.757 204 H LEU 23 H LEU 23 -6.953 -6.562 1.044 205 HA LEU 23 HA LEU 23 -8.148 -7.127 3.475 206 HB2 LEU 23 HB2 LEU 23 -5.347 -6.456 2.713 207 HB3 LEU 23 HB3 LEU 23 -5.737 -6.533 4.418 208 HG LEU 23 HG LEU 23 -4.945 -8.696 3.432 209 HD11 LEU 23 HD11 LEU 23 -6.628 -8.369 5.455 210 HD12 LEU 23 HD12 LEU 23 -6.289 -9.970 4.820 211 HD13 LEU 23 HD13 LEU 23 -7.766 -9.157 4.365 212 HD21 LEU 23 HD21 LEU 23 -6.501 -9.995 2.069 213 HD22 LEU 23 HD22 LEU 23 -6.115 -8.517 1.208 214 HD23 LEU 23 HD23 LEU 23 -7.662 -8.681 2.029 215 H LEU 24 H LEU 24 -7.447 -3.963 2.292 216 HA LEU 24 HA LEU 24 -7.103 -2.673 4.749 217 HB2 LEU 24 HB2 LEU 24 -8.138 -0.652 3.162 218 HB3 LEU 24 HB3 LEU 24 -6.459 -1.123 3.285 219 HG LEU 24 HG LEU 24 -8.336 -2.490 1.300 220 HD11 LEU 24 HD11 LEU 24 -7.778 0.191 1.163 221 HD12 LEU 24 HD12 LEU 24 -8.137 -0.897 -0.186 222 HD13 LEU 24 HD13 LEU 24 -6.454 -0.564 0.260 223 HD21 LEU 24 HD21 LEU 24 -5.583 -2.900 2.103 224 HD22 LEU 24 HD22 LEU 24 -5.635 -2.242 0.460 225 HD23 LEU 24 HD23 LEU 24 -6.527 -3.686 0.836 226 H GLU 25 H GLU 25 -9.757 -4.238 4.077 227 HA GLU 25 HA GLU 25 -11.890 -4.266 4.813 228 HB2 GLU 25 HB2 GLU 25 -10.774 -2.288 6.816 229 HB3 GLU 25 HB3 GLU 25 -12.381 -3.014 6.904 230 HG2 GLU 25 HG2 GLU 25 -11.383 -5.277 6.917 231 HG3 GLU 25 HG3 GLU 25 -9.787 -4.569 6.789 232 H VAL 26 H VAL 26 -11.098 -2.397 2.749 233 HA VAL 26 HA VAL 26 -13.509 -0.707 2.791 234 HB VAL 26 HB VAL 26 -12.333 0.877 1.280 235 HG11 VAL 26 HG11 VAL 26 -11.035 2.009 2.996 236 HG12 VAL 26 HG12 VAL 26 -10.887 0.508 3.912 237 HG13 VAL 26 HG13 VAL 26 -12.455 1.285 3.758 238 HG21 VAL 26 HG21 VAL 26 -9.886 0.755 1.055 239 HG22 VAL 26 HG22 VAL 26 -10.598 -0.749 0.481 240 HG23 VAL 26 HG23 VAL 26 -9.840 -0.689 2.062 241 H SER 27 H SER 27 -14.363 -0.448 0.557 242 HA SER 27 HA SER 27 -14.345 -2.943 -0.742 243 HB2 SER 27 HB2 SER 27 -15.338 -1.316 -2.650 244 HB3 SER 27 HB3 SER 27 -16.289 -1.898 -1.313 245 HG SER 27 HG SER 27 -14.886 0.566 -1.582 246 H ARG 28 H ARG 28 -13.041 -3.715 -2.279 247 HA ARG 28 HA ARG 28 -10.578 -2.492 -2.791 248 HB2 ARG 28 HB2 ARG 28 -11.176 -4.936 -2.878 249 HB3 ARG 28 HB3 ARG 28 -11.768 -4.665 -4.537 250 HG2 ARG 28 HG2 ARG 28 -9.356 -3.515 -4.826 251 HG3 ARG 28 HG3 ARG 28 -9.059 -4.422 -3.349 252 HD2 ARG 28 HD2 ARG 28 -8.399 -6.028 -4.783 253 HD3 ARG 28 HD3 ARG 28 -10.107 -6.426 -4.789 254 HE ARG 28 HE ARG 28 -9.884 -4.557 -6.797 255 HH11 ARG 28 HH11 ARG 28 -8.397 -7.572 -6.051 256 HH12 ARG 28 HH12 ARG 28 -7.785 -7.882 -7.613 257 HH21 ARG 28 HH21 ARG 28 -9.167 -4.902 -8.891 258 HH22 ARG 28 HH22 ARG 28 -8.300 -6.313 -9.313 259 H GLN 29 H GLN 29 -13.519 -2.769 -4.654 260 HA GLN 29 HA GLN 29 -12.724 -1.722 -7.112 261 HB2 GLN 29 HB2 GLN 29 -15.264 -0.535 -6.574 262 HB3 GLN 29 HB3 GLN 29 -14.921 -1.972 -7.528 263 HG2 GLN 29 HG2 GLN 29 -15.250 -3.420 -5.668 264 HG3 GLN 29 HG3 GLN 29 -15.154 -2.077 -4.517 265 HE21 GLN 29 HE21 GLN 29 -17.364 -3.647 -4.248 266 HE22 GLN 29 HE22 GLN 29 -18.737 -2.892 -4.889 267 H THR 30 H THR 30 -13.748 -0.025 -4.177 268 HA THR 30 HA THR 30 -13.535 2.578 -5.208 269 HB THR 30 HB THR 30 -13.136 2.893 -2.530 270 HG1 THR 30 HG1 THR 30 -13.065 0.580 -2.222 271 HG21 THR 30 HG21 THR 30 -15.628 2.401 -4.168 272 HG22 THR 30 HG22 THR 30 -14.978 3.915 -3.535 273 HG23 THR 30 HG23 THR 30 -15.714 2.742 -2.449 274 H ILE 31 H ILE 31 -11.209 0.588 -3.350 275 HA ILE 31 HA ILE 31 -9.205 2.591 -3.446 276 HB ILE 31 HB ILE 31 -9.392 0.353 -2.003 277 HG12 ILE 31 HG12 ILE 31 -7.732 2.130 -1.602 278 HG13 ILE 31 HG13 ILE 31 -6.971 0.557 -1.503 279 HG21 ILE 31 HG21 ILE 31 -7.528 -1.177 -2.860 280 HG22 ILE 31 HG22 ILE 31 -7.842 -0.528 -4.462 281 HG23 ILE 31 HG23 ILE 31 -9.112 -1.370 -3.573 282 HD11 ILE 31 HD11 ILE 31 -6.470 0.909 -4.077 283 HD12 ILE 31 HD12 ILE 31 -5.450 1.676 -2.867 284 HD13 ILE 31 HD13 ILE 31 -6.708 2.596 -3.688 285 H ASN 32 H ASN 32 -10.040 -0.114 -5.548 286 HA ASN 32 HA ASN 32 -7.860 0.104 -7.324 287 HB2 ASN 32 HB2 ASN 32 -10.701 -0.867 -7.667 288 HB3 ASN 32 HB3 ASN 32 -9.598 -0.833 -9.022 289 HD21 ASN 32 HD21 ASN 32 -7.542 -1.473 -6.540 290 HD22 ASN 32 HD22 ASN 32 -7.615 -3.164 -6.538 291 H GLY 33 H GLY 33 -11.051 1.636 -7.256 292 HA2 GLY 33 HA2 GLY 33 -10.614 3.199 -9.612 293 HA3 GLY 33 HA3 GLY 33 -11.920 3.408 -8.455 294 H ILE 34 H ILE 34 -10.608 3.921 -6.128 295 HA ILE 34 HA ILE 34 -10.133 6.585 -6.519 296 HB ILE 34 HB ILE 34 -10.220 4.867 -4.097 297 HG12 ILE 34 HG12 ILE 34 -11.764 6.806 -3.442 298 HG13 ILE 34 HG13 ILE 34 -11.475 7.437 -5.054 299 HG21 ILE 34 HG21 ILE 34 -8.129 6.359 -3.837 300 HG22 ILE 34 HG22 ILE 34 -9.344 6.233 -2.603 301 HG23 ILE 34 HG23 ILE 34 -9.313 7.662 -3.617 302 HD11 ILE 34 HD11 ILE 34 -12.705 4.744 -4.407 303 HD12 ILE 34 HD12 ILE 34 -12.293 5.297 -6.033 304 HD13 ILE 34 HD13 ILE 34 -13.525 6.134 -5.098 305 H GLU 35 H GLU 35 -7.743 4.075 -5.849 306 HA GLU 35 HA GLU 35 -5.556 5.888 -5.700 307 HB2 GLU 35 HB2 GLU 35 -5.899 2.998 -6.071 308 HB3 GLU 35 HB3 GLU 35 -4.502 3.654 -6.946 309 HG2 GLU 35 HG2 GLU 35 -4.951 4.539 -4.147 310 HG3 GLU 35 HG3 GLU 35 -4.373 2.913 -4.342 311 H LYS 36 H LYS 36 -7.443 4.506 -8.211 312 HA LYS 36 HA LYS 36 -5.838 5.503 -10.371 313 HB2 LYS 36 HB2 LYS 36 -7.449 3.431 -10.387 314 HB3 LYS 36 HB3 LYS 36 -8.690 4.624 -10.770 315 HG2 LYS 36 HG2 LYS 36 -7.401 5.392 -12.701 316 HG3 LYS 36 HG3 LYS 36 -6.079 4.306 -12.280 317 HD2 LYS 36 HD2 LYS 36 -7.584 2.376 -12.545 318 HD3 LYS 36 HD3 LYS 36 -8.886 3.436 -13.086 319 HE2 LYS 36 HE2 LYS 36 -6.159 3.203 -14.441 320 HE3 LYS 36 HE3 LYS 36 -7.638 2.418 -14.987 321 HZ1 LYS 36 HZ1 LYS 36 -7.411 4.352 -16.211 322 HZ2 LYS 36 HZ2 LYS 36 -7.051 5.335 -14.899 323 HZ3 LYS 36 HZ3 LYS 36 -8.616 4.722 -15.099 324 H ASN 37 H ASN 37 -6.144 7.597 -8.839 325 HA ASN 37 HA ASN 37 -6.243 9.795 -9.711 326 HB2 ASN 37 HB2 ASN 37 -8.917 9.087 -10.914 327 HB3 ASN 37 HB3 ASN 37 -8.158 10.625 -10.960 328 HD21 ASN 37 HD21 ASN 37 -8.545 8.262 -13.082 329 HD22 ASN 37 HD22 ASN 37 -7.068 8.291 -13.903 330 H LYS 38 H LYS 38 -7.638 8.486 -7.163 331 HA LYS 38 HA LYS 38 -9.017 11.042 -6.551 332 HB2 LYS 38 HB2 LYS 38 -9.806 8.300 -5.934 333 HB3 LYS 38 HB3 LYS 38 -9.777 9.324 -4.509 334 HG2 LYS 38 HG2 LYS 38 -11.908 9.706 -5.264 335 HG3 LYS 38 HG3 LYS 38 -11.050 11.043 -6.034 336 HD2 LYS 38 HD2 LYS 38 -10.810 9.658 -8.099 337 HD3 LYS 38 HD3 LYS 38 -11.715 8.373 -7.334 338 HE2 LYS 38 HE2 LYS 38 -12.890 10.175 -8.897 339 HE3 LYS 38 HE3 LYS 38 -13.739 9.436 -7.541 340 HZ1 LYS 38 HZ1 LYS 38 -14.088 11.713 -7.307 341 HZ2 LYS 38 HZ2 LYS 38 -12.543 12.161 -7.735 342 HZ3 LYS 38 HZ3 LYS 38 -12.811 11.493 -6.226 343 H TYR 39 H TYR 39 -7.341 8.375 -4.924 344 HA TYR 39 HA TYR 39 -5.205 9.923 -4.014 345 HB2 TYR 39 HB2 TYR 39 -5.704 9.808 -1.528 346 HB3 TYR 39 HB3 TYR 39 -6.559 11.048 -2.411 347 HD1 TYR 39 HD1 TYR 39 -6.859 7.783 -0.686 348 HD2 TYR 39 HD2 TYR 39 -8.987 10.860 -2.825 349 HE1 TYR 39 HE1 TYR 39 -8.969 6.841 0.079 350 HE2 TYR 39 HE2 TYR 39 -11.126 9.902 -2.055 351 HH TYR 39 HH TYR 39 -11.572 8.239 0.330 352 H ASN 40 H ASN 40 -3.815 8.788 -2.453 353 HA ASN 40 HA ASN 40 -3.685 5.982 -3.146 354 HB2 ASN 40 HB2 ASN 40 -1.872 7.455 -1.236 355 HB3 ASN 40 HB3 ASN 40 -1.542 5.966 -2.100 356 HD21 ASN 40 HD21 ASN 40 -1.987 9.469 -2.586 357 HD22 ASN 40 HD22 ASN 40 -1.201 9.528 -4.091 358 HA PRO 41 HA PRO 41 -5.469 4.238 0.445 359 HB2 PRO 41 HB2 PRO 41 -3.074 2.709 1.161 360 HB3 PRO 41 HB3 PRO 41 -4.668 2.132 0.666 361 HG2 PRO 41 HG2 PRO 41 -2.317 2.351 -0.945 362 HG3 PRO 41 HG3 PRO 41 -3.900 1.743 -1.400 363 HD2 PRO 41 HD2 PRO 41 -2.840 4.049 -2.451 364 HD3 PRO 41 HD3 PRO 41 -4.576 3.707 -2.355 365 H SER 42 H SER 42 -5.608 4.811 2.633 366 HA SER 42 HA SER 42 -3.678 6.632 3.741 367 HB2 SER 42 HB2 SER 42 -5.925 5.337 5.294 368 HB3 SER 42 HB3 SER 42 -5.188 6.914 5.495 369 HG SER 42 HG SER 42 -6.383 7.701 3.971 370 H LEU 43 H LEU 43 -2.291 6.233 5.562 371 HA LEU 43 HA LEU 43 -1.263 3.634 5.574 372 HB2 LEU 43 HB2 LEU 43 -0.708 5.915 7.482 373 HB3 LEU 43 HB3 LEU 43 0.103 4.346 7.511 374 HG LEU 43 HG LEU 43 0.000 6.121 5.053 375 HD11 LEU 43 HD11 LEU 43 2.003 7.052 5.598 376 HD12 LEU 43 HD12 LEU 43 2.544 5.647 6.512 377 HD13 LEU 43 HD13 LEU 43 1.382 6.782 7.221 378 HD21 LEU 43 HD21 LEU 43 2.143 4.382 4.855 379 HD22 LEU 43 HD22 LEU 43 0.589 4.186 4.056 380 HD23 LEU 43 HD23 LEU 43 0.900 3.362 5.584 381 H GLN 44 H GLN 44 -3.560 5.194 7.682 382 HA GLN 44 HA GLN 44 -3.631 3.406 9.809 383 HB2 GLN 44 HB2 GLN 44 -6.011 4.706 8.480 384 HB3 GLN 44 HB3 GLN 44 -5.915 4.145 10.147 385 HG2 GLN 44 HG2 GLN 44 -5.375 6.337 10.549 386 HG3 GLN 44 HG3 GLN 44 -3.752 5.824 10.100 387 HE21 GLN 44 HE21 GLN 44 -5.792 8.302 9.543 388 HE22 GLN 44 HE22 GLN 44 -5.392 8.666 7.941 389 H LEU 45 H LEU 45 -5.354 3.227 6.691 390 HA LEU 45 HA LEU 45 -6.339 0.556 7.297 391 HB2 LEU 45 HB2 LEU 45 -7.209 0.520 4.968 392 HB3 LEU 45 HB3 LEU 45 -7.758 1.898 5.889 393 HG LEU 45 HG LEU 45 -5.676 3.109 4.866 394 HD11 LEU 45 HD11 LEU 45 -4.647 2.136 3.025 395 HD12 LEU 45 HD12 LEU 45 -6.162 1.527 2.405 396 HD13 LEU 45 HD13 LEU 45 -5.303 0.619 3.628 397 HD21 LEU 45 HD21 LEU 45 -7.838 3.938 4.361 398 HD22 LEU 45 HD22 LEU 45 -8.288 2.489 3.474 399 HD23 LEU 45 HD23 LEU 45 -7.154 3.603 2.763 400 H ALA 46 H ALA 46 -3.675 2.012 5.672 401 HA ALA 46 HA ALA 46 -2.724 -0.264 4.350 402 HB1 ALA 46 HB1 ALA 46 -0.700 0.829 3.974 403 HB2 ALA 46 HB2 ALA 46 -0.746 1.711 5.466 404 HB3 ALA 46 HB3 ALA 46 -1.835 2.160 4.120 405 H LEU 47 H LEU 47 -2.620 0.644 7.684 406 HA LEU 47 HA LEU 47 -0.510 -0.984 8.582 407 HB2 LEU 47 HB2 LEU 47 -1.808 0.577 10.022 408 HB3 LEU 47 HB3 LEU 47 -3.186 -0.505 9.954 409 HG LEU 47 HG LEU 47 -0.513 -1.596 10.873 410 HD11 LEU 47 HD11 LEU 47 -2.359 0.183 12.439 411 HD12 LEU 47 HD12 LEU 47 -0.596 0.172 12.364 412 HD13 LEU 47 HD13 LEU 47 -1.445 -1.109 13.221 413 HD21 LEU 47 HD21 LEU 47 -2.182 -2.883 12.351 414 HD22 LEU 47 HD22 LEU 47 -2.179 -3.308 10.649 415 HD23 LEU 47 HD23 LEU 47 -3.443 -2.260 11.315 416 H LYS 48 H LYS 48 -3.897 -1.682 7.957 417 HA LYS 48 HA LYS 48 -3.788 -4.490 8.469 418 HB2 LYS 48 HB2 LYS 48 -5.676 -2.829 6.776 419 HB3 LYS 48 HB3 LYS 48 -5.881 -4.528 7.112 420 HG2 LYS 48 HG2 LYS 48 -5.971 -4.168 9.509 421 HG3 LYS 48 HG3 LYS 48 -5.649 -2.455 9.332 422 HD2 LYS 48 HD2 LYS 48 -7.758 -2.193 8.041 423 HD3 LYS 48 HD3 LYS 48 -8.094 -3.906 8.242 424 HE2 LYS 48 HE2 LYS 48 -7.588 -2.143 10.635 425 HE3 LYS 48 HE3 LYS 48 -9.194 -2.256 9.929 426 HZ1 LYS 48 HZ1 LYS 48 -9.133 -4.654 10.237 427 HZ2 LYS 48 HZ2 LYS 48 -8.880 -3.832 11.692 428 HZ3 LYS 48 HZ3 LYS 48 -7.561 -4.547 10.909 429 H ILE 49 H ILE 49 -3.372 -2.463 5.610 430 HA ILE 49 HA ILE 49 -3.239 -4.626 3.839 431 HB ILE 49 HB ILE 49 -3.505 -2.022 3.343 432 HG12 ILE 49 HG12 ILE 49 -2.112 -3.959 1.501 433 HG13 ILE 49 HG13 ILE 49 -3.862 -3.831 1.737 434 HG21 ILE 49 HG21 ILE 49 -1.631 -0.908 2.589 435 HG22 ILE 49 HG22 ILE 49 -0.707 -2.367 2.340 436 HG23 ILE 49 HG23 ILE 49 -0.900 -1.731 3.964 437 HD11 ILE 49 HD11 ILE 49 -3.683 -2.468 -0.112 438 HD12 ILE 49 HD12 ILE 49 -2.010 -2.059 0.223 439 HD13 ILE 49 HD13 ILE 49 -3.311 -1.248 1.097 440 H ALA 50 H ALA 50 -0.730 -2.817 5.535 441 HA ALA 50 HA ALA 50 1.557 -3.867 4.377 442 HB1 ALA 50 HB1 ALA 50 2.410 -2.403 5.850 443 HB2 ALA 50 HB2 ALA 50 2.152 -3.609 7.110 444 HB3 ALA 50 HB3 ALA 50 0.921 -2.407 6.800 445 H TYR 51 H TYR 51 -0.487 -5.157 6.877 446 HA TYR 51 HA TYR 51 1.132 -7.292 7.755 447 HB2 TYR 51 HB2 TYR 51 -1.669 -6.525 8.094 448 HB3 TYR 51 HB3 TYR 51 -1.482 -8.257 7.823 449 HD1 TYR 51 HD1 TYR 51 0.921 -5.924 9.443 450 HD2 TYR 51 HD2 TYR 51 -1.788 -9.225 9.984 451 HE1 TYR 51 HE1 TYR 51 1.740 -6.217 11.723 452 HE2 TYR 51 HE2 TYR 51 -0.972 -9.520 12.275 453 HH TYR 51 HH TYR 51 1.723 -8.544 13.406 454 H TYR 52 H TYR 52 -1.273 -7.145 5.191 455 HA TYR 52 HA TYR 52 -0.500 -9.821 4.322 456 HB2 TYR 52 HB2 TYR 52 -2.697 -7.995 3.349 457 HB3 TYR 52 HB3 TYR 52 -2.431 -9.626 2.741 458 HD1 TYR 52 HD1 TYR 52 -2.580 -11.597 4.285 459 HD2 TYR 52 HD2 TYR 52 -3.715 -7.623 5.540 460 HE1 TYR 52 HE1 TYR 52 -3.762 -12.537 6.219 461 HE2 TYR 52 HE2 TYR 52 -4.890 -8.552 7.445 462 HH TYR 52 HH TYR 52 -4.428 -11.467 8.675 463 H LEU 53 H LEU 53 0.324 -6.652 3.654 464 HA LEU 53 HA LEU 53 1.025 -7.041 0.890 465 HB2 LEU 53 HB2 LEU 53 0.549 -4.751 2.158 466 HB3 LEU 53 HB3 LEU 53 2.258 -4.856 2.569 467 HG LEU 53 HG LEU 53 1.148 -3.728 0.283 468 HD11 LEU 53 HD11 LEU 53 3.348 -3.195 1.283 469 HD12 LEU 53 HD12 LEU 53 3.429 -3.456 -0.465 470 HD13 LEU 53 HD13 LEU 53 3.967 -4.714 0.628 471 HD21 LEU 53 HD21 LEU 53 2.473 -6.374 -0.530 472 HD22 LEU 53 HD22 LEU 53 2.038 -5.032 -1.558 473 HD23 LEU 53 HD23 LEU 53 0.770 -5.959 -0.791 474 H ASN 54 H ASN 54 2.254 -8.414 3.560 475 HA ASN 54 HA ASN 54 4.227 -9.449 4.085 476 HB2 ASN 54 HB2 ASN 54 4.582 -9.029 1.150 477 HB3 ASN 54 HB3 ASN 54 5.791 -9.829 2.150 478 HD21 ASN 54 HD21 ASN 54 4.297 -11.203 -0.005 479 HD22 ASN 54 HD22 ASN 54 3.319 -12.365 0.742 480 H THR 55 H THR 55 3.995 -6.583 4.365 481 HA THR 55 HA THR 55 6.765 -6.026 4.662 482 HB THR 55 HB THR 55 5.209 -5.097 2.445 483 HG1 THR 55 HG1 THR 55 7.921 -4.583 3.073 484 HG21 THR 55 HG21 THR 55 6.474 -2.889 4.143 485 HG22 THR 55 HG22 THR 55 4.794 -3.037 3.634 486 HG23 THR 55 HG23 THR 55 6.035 -2.700 2.453 487 HA PRO 56 HA PRO 56 4.638 -4.474 8.294 488 HB2 PRO 56 HB2 PRO 56 7.156 -2.949 8.754 489 HB3 PRO 56 HB3 PRO 56 6.328 -4.070 9.843 490 HG2 PRO 56 HG2 PRO 56 8.535 -4.823 8.601 491 HG3 PRO 56 HG3 PRO 56 7.160 -5.953 8.738 492 HD2 PRO 56 HD2 PRO 56 8.021 -4.317 6.359 493 HD3 PRO 56 HD3 PRO 56 7.475 -6.025 6.445 494 H LEU 57 H LEU 57 3.497 -2.617 8.868 495 HA LEU 57 HA LEU 57 3.223 -0.407 7.063 496 HB2 LEU 57 HB2 LEU 57 1.461 -1.088 8.739 497 HB3 LEU 57 HB3 LEU 57 2.562 -0.534 9.991 498 HG LEU 57 HG LEU 57 2.639 1.700 9.039 499 HD11 LEU 57 HD11 LEU 57 1.028 0.431 6.883 500 HD12 LEU 57 HD12 LEU 57 2.217 1.744 6.820 501 HD13 LEU 57 HD13 LEU 57 0.585 2.074 7.355 502 HD21 LEU 57 HD21 LEU 57 1.036 2.058 10.476 503 HD22 LEU 57 HD22 LEU 57 0.364 0.446 10.259 504 HD23 LEU 57 HD23 LEU 57 -0.165 1.784 9.208 505 H GLU 58 H GLU 58 4.935 -0.864 10.081 506 HA GLU 58 HA GLU 58 5.777 1.769 10.342 507 HB2 GLU 58 HB2 GLU 58 7.860 0.503 11.530 508 HB3 GLU 58 HB3 GLU 58 6.303 0.797 12.284 509 HG2 GLU 58 HG2 GLU 58 6.840 -1.765 10.707 510 HG3 GLU 58 HG3 GLU 58 7.190 -1.620 12.414 511 H ASP 59 H ASP 59 6.780 -0.689 8.232 512 HA ASP 59 HA ASP 59 9.416 0.357 7.600 513 HB2 ASP 59 HB2 ASP 59 8.697 -2.056 7.187 514 HB3 ASP 59 HB3 ASP 59 7.763 -1.433 5.828 515 H ILE 60 H ILE 60 6.188 0.807 6.443 516 HA ILE 60 HA ILE 60 7.196 2.654 4.399 517 HB ILE 60 HB ILE 60 4.908 2.645 3.504 518 HG12 ILE 60 HG12 ILE 60 4.377 0.458 5.549 519 HG13 ILE 60 HG13 ILE 60 3.754 2.116 5.695 520 HG21 ILE 60 HG21 ILE 60 4.939 0.219 2.751 521 HG22 ILE 60 HG22 ILE 60 6.164 -0.078 3.961 522 HG23 ILE 60 HG23 ILE 60 6.515 1.004 2.610 523 HD11 ILE 60 HD11 ILE 60 1.964 0.984 4.691 524 HD12 ILE 60 HD12 ILE 60 3.026 -0.046 3.739 525 HD13 ILE 60 HD13 ILE 60 2.812 1.641 3.288 526 H PHE 61 H PHE 61 5.524 2.534 7.399 527 HA PHE 61 HA PHE 61 4.805 5.376 7.287 528 HB2 PHE 61 HB2 PHE 61 3.368 3.568 8.424 529 HB3 PHE 61 HB3 PHE 61 4.607 3.509 9.666 530 HD1 PHE 61 HD1 PHE 61 5.238 5.863 10.805 531 HD2 PHE 61 HD2 PHE 61 1.649 5.095 8.589 532 HE1 PHE 61 HE1 PHE 61 4.168 7.802 11.895 533 HE2 PHE 61 HE2 PHE 61 0.562 7.034 9.676 534 HZ PHE 61 HZ PHE 61 1.826 8.402 11.344 535 H GLN 62 H GLN 62 7.043 6.081 7.004 536 HA GLN 62 HA GLN 62 8.453 6.181 9.618 537 HB2 GLN 62 HB2 GLN 62 9.852 6.049 6.945 538 HB3 GLN 62 HB3 GLN 62 10.581 6.094 8.527 539 HG2 GLN 62 HG2 GLN 62 9.490 3.922 9.124 540 HG3 GLN 62 HG3 GLN 62 8.857 3.823 7.487 541 HE21 GLN 62 HE21 GLN 62 10.086 2.249 6.439 542 HE22 GLN 62 HE22 GLN 62 11.769 2.156 6.451 543 H TRP 63 H TRP 63 9.118 8.149 10.207 544 HA TRP 63 HA TRP 63 8.511 10.527 8.679 545 HB2 TRP 63 HB2 TRP 63 10.634 10.370 10.821 546 HB3 TRP 63 HB3 TRP 63 9.569 11.717 10.426 547 HD1 TRP 63 HD1 TRP 63 6.767 10.354 10.587 548 HE1 TRP 63 HE1 TRP 63 5.877 9.451 12.847 549 HE3 TRP 63 HE3 TRP 63 11.138 9.853 13.170 550 HZ2 TRP 63 HZ2 TRP 63 6.856 8.642 15.347 551 HZ3 TRP 63 HZ3 TRP 63 11.125 9.008 15.498 552 HH2 TRP 63 HH2 TRP 63 8.997 8.399 16.592 553 H GLN 64 H GLN 64 11.033 8.238 9.090 554 HA GLN 64 HA GLN 64 12.967 7.795 8.066 555 HB2 GLN 64 HB2 GLN 64 11.349 9.053 5.977 556 HB3 GLN 64 HB3 GLN 64 13.063 9.243 5.676 557 HG2 GLN 64 HG2 GLN 64 12.885 6.560 6.467 558 HG3 GLN 64 HG3 GLN 64 11.401 6.857 5.573 559 HE21 GLN 64 HE21 GLN 64 14.901 7.700 5.175 560 HE22 GLN 64 HE22 GLN 64 14.911 7.374 3.518 561 HA PRO 65 HA PRO 65 14.603 11.911 9.704 562 HB2 PRO 65 HB2 PRO 65 16.121 9.878 11.273 563 HB3 PRO 65 HB3 PRO 65 15.418 11.410 11.805 564 HG2 PRO 65 HG2 PRO 65 14.245 9.134 12.458 565 HG3 PRO 65 HG3 PRO 65 13.235 10.514 11.930 566 HD2 PRO 65 HD2 PRO 65 14.060 8.069 10.420 567 HD3 PRO 65 HD3 PRO 65 12.487 8.885 10.456 568 H GLU 66 H GLU 66 16.040 8.763 9.081 569 HA GLU 66 HA GLU 66 18.552 9.840 8.125 570 HB2 GLU 66 HB2 GLU 66 17.522 7.013 8.205 571 HB3 GLU 66 HB3 GLU 66 19.196 7.504 7.931 572 HG2 GLU 66 HG2 GLU 66 19.534 7.534 10.154 573 HG3 GLU 66 HG3 GLU 66 18.318 8.788 10.332 Start of MODEL 13 1 H1 MET 1 H1 MET 1 9.425 10.388 -7.006 2 HA MET 1 HA MET 1 7.872 8.619 -6.065 3 HB2 MET 1 HB2 MET 1 10.223 6.911 -6.915 4 HB3 MET 1 HB3 MET 1 8.916 6.379 -5.852 5 HG2 MET 1 HG2 MET 1 7.272 6.870 -7.624 6 HG3 MET 1 HG3 MET 1 8.578 7.355 -8.711 7 HE1 MET 1 HE1 MET 1 10.291 6.000 -9.654 8 HE2 MET 1 HE2 MET 1 10.516 4.246 -9.537 9 HE3 MET 1 HE3 MET 1 10.937 5.290 -8.191 10 H ILE 2 H ILE 2 11.396 8.516 -5.771 11 HA ILE 2 HA ILE 2 12.820 8.773 -3.984 12 HB ILE 2 HB ILE 2 10.504 10.239 -2.692 13 HG12 ILE 2 HG12 ILE 2 11.077 11.225 -4.905 14 HG13 ILE 2 HG13 ILE 2 11.561 12.304 -3.615 15 HG21 ILE 2 HG21 ILE 2 12.452 11.434 -1.557 16 HG22 ILE 2 HG22 ILE 2 13.470 10.106 -2.115 17 HG23 ILE 2 HG23 ILE 2 12.116 9.791 -1.024 18 HD11 ILE 2 HD11 ILE 2 13.881 11.216 -3.743 19 HD12 ILE 2 HD12 ILE 2 13.398 12.243 -5.080 20 HD13 ILE 2 HD13 ILE 2 13.344 10.488 -5.254 21 H ILE 3 H ILE 3 9.562 8.283 -2.716 22 HA ILE 3 HA ILE 3 10.517 5.976 -1.146 23 HB ILE 3 HB ILE 3 8.168 7.801 -0.668 24 HG12 ILE 3 HG12 ILE 3 10.660 7.270 1.035 25 HG13 ILE 3 HG13 ILE 3 10.409 8.656 0.026 26 HG21 ILE 3 HG21 ILE 3 7.479 5.556 -0.109 27 HG22 ILE 3 HG22 ILE 3 7.814 6.381 1.383 28 HG23 ILE 3 HG23 ILE 3 8.996 5.237 0.720 29 HD11 ILE 3 HD11 ILE 3 8.517 9.401 1.295 30 HD12 ILE 3 HD12 ILE 3 9.806 8.991 2.435 31 HD13 ILE 3 HD13 ILE 3 8.478 7.872 2.183 32 H ASN 4 H ASN 4 9.633 4.112 -1.458 33 HA ASN 4 HA ASN 4 7.960 3.707 -3.802 34 HB2 ASN 4 HB2 ASN 4 9.233 1.827 -1.793 35 HB3 ASN 4 HB3 ASN 4 8.032 1.272 -2.956 36 HD21 ASN 4 HD21 ASN 4 11.304 2.627 -2.633 37 HD22 ASN 4 HD22 ASN 4 11.791 2.237 -4.201 38 H ASN 5 H ASN 5 5.853 4.294 -3.534 39 HA ASN 5 HA ASN 5 4.555 4.433 -1.047 40 HB2 ASN 5 HB2 ASN 5 3.913 5.286 -3.599 41 HB3 ASN 5 HB3 ASN 5 2.771 3.976 -3.326 42 HD21 ASN 5 HD21 ASN 5 0.834 4.856 -2.572 43 HD22 ASN 5 HD22 ASN 5 0.739 6.087 -1.432 44 H LEU 6 H LEU 6 2.206 3.184 -1.025 45 HA LEU 6 HA LEU 6 2.881 0.604 -0.121 46 HB2 LEU 6 HB2 LEU 6 0.847 1.926 0.549 47 HB3 LEU 6 HB3 LEU 6 0.140 1.572 -1.010 48 HG LEU 6 HG LEU 6 -0.664 0.090 0.786 49 HD11 LEU 6 HD11 LEU 6 -0.294 -0.631 -1.741 50 HD12 LEU 6 HD12 LEU 6 -0.745 -1.822 -0.529 51 HD13 LEU 6 HD13 LEU 6 0.922 -1.693 -1.023 52 HD21 LEU 6 HD21 LEU 6 2.165 -1.054 0.840 53 HD22 LEU 6 HD22 LEU 6 0.779 -1.595 1.784 54 HD23 LEU 6 HD23 LEU 6 1.470 -0.009 2.084 55 H LYS 7 H LYS 7 1.346 1.695 -3.069 56 HA LYS 7 HA LYS 7 1.063 -0.803 -4.341 57 HB2 LYS 7 HB2 LYS 7 0.922 0.603 -6.441 58 HB3 LYS 7 HB3 LYS 7 -0.166 1.110 -5.155 59 HG2 LYS 7 HG2 LYS 7 1.779 2.709 -4.423 60 HG3 LYS 7 HG3 LYS 7 2.412 2.358 -6.028 61 HD2 LYS 7 HD2 LYS 7 0.530 3.305 -7.114 62 HD3 LYS 7 HD3 LYS 7 -0.400 3.349 -5.617 63 HE2 LYS 7 HE2 LYS 7 1.510 4.850 -4.713 64 HE3 LYS 7 HE3 LYS 7 1.919 5.130 -6.400 65 HZ1 LYS 7 HZ1 LYS 7 -0.377 5.847 -4.803 66 HZ2 LYS 7 HZ2 LYS 7 -0.727 5.589 -6.425 67 HZ3 LYS 7 HZ3 LYS 7 0.399 6.782 -6.013 68 H LEU 8 H LEU 8 3.727 1.543 -4.357 69 HA LEU 8 HA LEU 8 5.375 0.160 -6.215 70 HB2 LEU 8 HB2 LEU 8 5.943 2.191 -4.080 71 HB3 LEU 8 HB3 LEU 8 7.260 1.373 -4.910 72 HG LEU 8 HG LEU 8 6.935 3.371 -6.102 73 HD11 LEU 8 HD11 LEU 8 6.885 1.064 -7.420 74 HD12 LEU 8 HD12 LEU 8 6.690 2.605 -8.231 75 HD13 LEU 8 HD13 LEU 8 5.272 1.634 -7.875 76 HD21 LEU 8 HD21 LEU 8 4.274 3.288 -5.198 77 HD22 LEU 8 HD22 LEU 8 4.147 3.123 -6.956 78 HD23 LEU 8 HD23 LEU 8 4.990 4.489 -6.257 79 H ILE 9 H ILE 9 5.136 0.052 -2.680 80 HA ILE 9 HA ILE 9 7.284 -1.748 -2.315 81 HB ILE 9 HB ILE 9 4.808 -1.272 -0.605 82 HG12 ILE 9 HG12 ILE 9 6.328 0.683 -0.812 83 HG13 ILE 9 HG13 ILE 9 6.381 0.001 0.801 84 HG21 ILE 9 HG21 ILE 9 6.878 -3.321 -0.397 85 HG22 ILE 9 HG22 ILE 9 5.408 -3.107 0.549 86 HG23 ILE 9 HG23 ILE 9 6.871 -2.261 1.005 87 HD11 ILE 9 HD11 ILE 9 8.647 0.167 0.415 88 HD12 ILE 9 HD12 ILE 9 8.467 -0.045 -1.319 89 HD13 ILE 9 HD13 ILE 9 8.394 -1.441 -0.239 90 H ARG 10 H ARG 10 3.850 -2.219 -2.861 91 HA ARG 10 HA ARG 10 3.629 -4.960 -2.520 92 HB2 ARG 10 HB2 ARG 10 1.724 -3.529 -2.870 93 HB3 ARG 10 HB3 ARG 10 2.321 -3.114 -4.472 94 HG2 ARG 10 HG2 ARG 10 2.206 -5.708 -4.916 95 HG3 ARG 10 HG3 ARG 10 1.123 -5.716 -3.539 96 HD2 ARG 10 HD2 ARG 10 0.001 -5.451 -5.814 97 HD3 ARG 10 HD3 ARG 10 -0.446 -4.280 -4.585 98 HE ARG 10 HE ARG 10 0.461 -2.636 -5.932 99 HH11 ARG 10 HH11 ARG 10 1.844 -5.753 -6.866 100 HH12 ARG 10 HH12 ARG 10 2.716 -5.082 -8.170 101 HH21 ARG 10 HH21 ARG 10 1.698 -1.808 -7.638 102 HH22 ARG 10 HH22 ARG 10 2.671 -2.828 -8.613 103 H GLU 11 H GLU 11 4.499 -3.124 -5.481 104 HA GLU 11 HA GLU 11 4.846 -5.527 -6.971 105 HB2 GLU 11 HB2 GLU 11 5.826 -4.081 -8.759 106 HB3 GLU 11 HB3 GLU 11 4.241 -3.585 -8.207 107 HG2 GLU 11 HG2 GLU 11 5.240 -1.884 -6.768 108 HG3 GLU 11 HG3 GLU 11 6.852 -2.322 -7.324 109 H LYS 12 H LYS 12 6.991 -3.492 -5.150 110 HA LYS 12 HA LYS 12 9.395 -4.656 -6.133 111 HB2 LYS 12 HB2 LYS 12 8.882 -3.278 -3.459 112 HB3 LYS 12 HB3 LYS 12 10.456 -3.710 -4.107 113 HG2 LYS 12 HG2 LYS 12 8.563 -1.947 -5.675 114 HG3 LYS 12 HG3 LYS 12 9.738 -1.303 -4.521 115 HD2 LYS 12 HD2 LYS 12 11.572 -2.192 -5.787 116 HD3 LYS 12 HD3 LYS 12 10.506 -3.148 -6.807 117 HE2 LYS 12 HE2 LYS 12 11.166 -1.262 -8.034 118 HE3 LYS 12 HE3 LYS 12 9.460 -1.024 -7.614 119 HZ1 LYS 12 HZ1 LYS 12 10.145 0.603 -5.892 120 HZ2 LYS 12 HZ2 LYS 12 10.925 0.953 -7.327 121 HZ3 LYS 12 HZ3 LYS 12 11.775 0.197 -6.124 122 H LYS 13 H LYS 13 7.348 -5.528 -3.366 123 HA LYS 13 HA LYS 13 9.077 -7.819 -2.848 124 HB2 LYS 13 HB2 LYS 13 7.315 -8.486 -1.175 125 HB3 LYS 13 HB3 LYS 13 8.131 -6.960 -0.862 126 HG2 LYS 13 HG2 LYS 13 6.254 -5.682 -1.415 127 HG3 LYS 13 HG3 LYS 13 5.545 -6.919 -2.437 128 HD2 LYS 13 HD2 LYS 13 4.212 -7.293 -0.646 129 HD3 LYS 13 HD3 LYS 13 5.570 -8.174 0.037 130 HE2 LYS 13 HE2 LYS 13 5.111 -5.199 0.424 131 HE3 LYS 13 HE3 LYS 13 4.574 -6.464 1.519 132 HZ1 LYS 13 HZ1 LYS 13 6.683 -6.966 2.173 133 HZ2 LYS 13 HZ2 LYS 13 6.804 -5.325 1.936 134 HZ3 LYS 13 HZ3 LYS 13 7.450 -6.399 0.786 135 H LYS 14 H LYS 14 7.098 -7.179 -5.197 136 HA LYS 14 HA LYS 14 6.250 -8.408 -6.888 137 HB2 LYS 14 HB2 LYS 14 7.254 -10.919 -5.538 138 HB3 LYS 14 HB3 LYS 14 7.022 -10.598 -7.245 139 HG2 LYS 14 HG2 LYS 14 9.151 -9.318 -5.475 140 HG3 LYS 14 HG3 LYS 14 9.399 -10.507 -6.738 141 HD2 LYS 14 HD2 LYS 14 8.277 -8.691 -8.339 142 HD3 LYS 14 HD3 LYS 14 8.592 -7.660 -6.972 143 HE2 LYS 14 HE2 LYS 14 10.930 -7.973 -7.009 144 HE3 LYS 14 HE3 LYS 14 10.813 -9.321 -8.118 145 HZ1 LYS 14 HZ1 LYS 14 10.208 -7.929 -9.881 146 HZ2 LYS 14 HZ2 LYS 14 11.490 -7.168 -9.134 147 HZ3 LYS 14 HZ3 LYS 14 9.879 -6.612 -8.926 148 H ILE 15 H ILE 15 4.304 -7.673 -5.297 149 HA ILE 15 HA ILE 15 2.574 -10.059 -5.099 150 HB ILE 15 HB ILE 15 2.873 -7.744 -3.149 151 HG12 ILE 15 HG12 ILE 15 2.377 -9.744 -1.602 152 HG13 ILE 15 HG13 ILE 15 2.642 -10.759 -3.018 153 HG21 ILE 15 HG21 ILE 15 0.700 -8.341 -2.181 154 HG22 ILE 15 HG22 ILE 15 0.376 -9.379 -3.557 155 HG23 ILE 15 HG23 ILE 15 0.522 -7.636 -3.784 156 HD11 ILE 15 HD11 ILE 15 4.707 -8.715 -2.621 157 HD12 ILE 15 HD12 ILE 15 4.867 -10.435 -2.964 158 HD13 ILE 15 HD13 ILE 15 4.603 -9.890 -1.302 159 H SER 16 H SER 16 0.344 -9.688 -5.727 160 HA SER 16 HA SER 16 0.107 -7.494 -7.667 161 HB2 SER 16 HB2 SER 16 -2.158 -9.366 -7.515 162 HB3 SER 16 HB3 SER 16 -1.213 -8.821 -8.865 163 HG SER 16 HG SER 16 -0.372 -10.719 -6.925 164 H GLN 17 H GLN 17 -2.045 -6.406 -7.795 165 HA GLN 17 HA GLN 17 -2.486 -5.045 -5.387 166 HB2 GLN 17 HB2 GLN 17 -4.376 -5.196 -7.747 167 HB3 GLN 17 HB3 GLN 17 -4.288 -3.917 -6.553 168 HG2 GLN 17 HG2 GLN 17 -2.909 -2.903 -8.067 169 HG3 GLN 17 HG3 GLN 17 -1.676 -3.933 -7.381 170 HE21 GLN 17 HE21 GLN 17 -2.975 -3.063 -10.321 171 HE22 GLN 17 HE22 GLN 17 -2.553 -4.453 -11.200 172 H SER 18 H SER 18 -4.264 -7.681 -6.877 173 HA SER 18 HA SER 18 -6.542 -7.660 -5.296 174 HB2 SER 18 HB2 SER 18 -5.152 -10.071 -6.435 175 HB3 SER 18 HB3 SER 18 -6.852 -9.965 -5.970 176 HG SER 18 HG SER 18 -6.176 -9.613 -8.284 177 H GLU 19 H GLU 19 -3.434 -9.285 -4.618 178 HA GLU 19 HA GLU 19 -4.176 -10.820 -2.470 179 HB2 GLU 19 HB2 GLU 19 -1.639 -9.285 -2.966 180 HB3 GLU 19 HB3 GLU 19 -1.771 -10.405 -1.626 181 HG2 GLU 19 HG2 GLU 19 -0.922 -11.799 -3.204 182 HG3 GLU 19 HG3 GLU 19 -2.629 -12.059 -3.551 183 H LEU 20 H LEU 20 -2.749 -7.601 -2.084 184 HA LEU 20 HA LEU 20 -3.786 -7.514 0.608 185 HB2 LEU 20 HB2 LEU 20 -2.512 -5.497 1.005 186 HB3 LEU 20 HB3 LEU 20 -1.513 -6.739 0.269 187 HG LEU 20 HG LEU 20 -0.955 -4.633 -0.778 188 HD11 LEU 20 HD11 LEU 20 -2.765 -5.876 -2.841 189 HD12 LEU 20 HD12 LEU 20 -1.290 -6.681 -2.290 190 HD13 LEU 20 HD13 LEU 20 -1.208 -5.094 -3.015 191 HD21 LEU 20 HD21 LEU 20 -3.500 -3.956 -2.035 192 HD22 LEU 20 HD22 LEU 20 -2.406 -2.958 -1.107 193 HD23 LEU 20 HD23 LEU 20 -3.613 -3.884 -0.265 194 H ALA 21 H ALA 21 -4.523 -5.813 -2.369 195 HA ALA 21 HA ALA 21 -5.910 -3.658 -1.306 196 HB1 ALA 21 HB1 ALA 21 -5.191 -3.895 -3.631 197 HB2 ALA 21 HB2 ALA 21 -6.803 -3.270 -3.435 198 HB3 ALA 21 HB3 ALA 21 -6.548 -4.981 -3.921 199 H ALA 22 H ALA 22 -7.175 -6.845 -1.820 200 HA ALA 22 HA ALA 22 -9.911 -6.153 -1.355 201 HB1 ALA 22 HB1 ALA 22 -9.349 -8.274 -2.401 202 HB2 ALA 22 HB2 ALA 22 -10.254 -8.563 -0.924 203 HB3 ALA 22 HB3 ALA 22 -8.509 -8.805 -0.943 204 H LEU 23 H LEU 23 -7.251 -6.891 0.783 205 HA LEU 23 HA LEU 23 -8.680 -7.627 3.063 206 HB2 LEU 23 HB2 LEU 23 -5.851 -6.791 2.586 207 HB3 LEU 23 HB3 LEU 23 -6.431 -6.938 4.225 208 HG LEU 23 HG LEU 23 -5.377 -9.044 3.188 209 HD11 LEU 23 HD11 LEU 23 -8.167 -9.222 4.352 210 HD12 LEU 23 HD12 LEU 23 -6.653 -9.129 5.255 211 HD13 LEU 23 HD13 LEU 23 -7.002 -10.532 4.276 212 HD21 LEU 23 HD21 LEU 23 -6.776 -10.411 1.778 213 HD22 LEU 23 HD22 LEU 23 -6.614 -8.847 0.993 214 HD23 LEU 23 HD23 LEU 23 -8.108 -9.258 1.843 215 H LEU 24 H LEU 24 -7.868 -4.389 2.059 216 HA LEU 24 HA LEU 24 -7.849 -3.245 4.622 217 HB2 LEU 24 HB2 LEU 24 -8.591 -1.113 3.050 218 HB3 LEU 24 HB3 LEU 24 -6.954 -1.586 3.389 219 HG LEU 24 HG LEU 24 -8.528 -2.754 1.066 220 HD11 LEU 24 HD11 LEU 24 -8.271 -0.864 -0.032 221 HD12 LEU 24 HD12 LEU 24 -6.523 -0.990 0.169 222 HD13 LEU 24 HD13 LEU 24 -7.475 -0.083 1.337 223 HD21 LEU 24 HD21 LEU 24 -5.625 -2.565 0.833 224 HD22 LEU 24 HD22 LEU 24 -6.708 -3.931 0.659 225 HD23 LEU 24 HD23 LEU 24 -6.109 -3.522 2.250 226 H GLU 25 H GLU 25 -10.450 -4.675 3.569 227 HA GLU 25 HA GLU 25 -12.674 -4.558 4.071 228 HB2 GLU 25 HB2 GLU 25 -11.748 -2.640 6.242 229 HB3 GLU 25 HB3 GLU 25 -13.270 -3.496 6.184 230 HG2 GLU 25 HG2 GLU 25 -12.042 -5.692 6.189 231 HG3 GLU 25 HG3 GLU 25 -10.553 -4.772 6.271 232 H VAL 26 H VAL 26 -11.580 -2.673 2.150 233 HA VAL 26 HA VAL 26 -13.834 -0.793 2.065 234 HB VAL 26 HB VAL 26 -12.383 0.910 1.002 235 HG11 VAL 26 HG11 VAL 26 -11.341 0.119 3.740 236 HG12 VAL 26 HG12 VAL 26 -12.816 1.061 3.427 237 HG13 VAL 26 HG13 VAL 26 -11.241 1.708 2.980 238 HG21 VAL 26 HG21 VAL 26 -10.545 -0.319 0.100 239 HG22 VAL 26 HG22 VAL 26 -10.226 -1.115 1.638 240 HG23 VAL 26 HG23 VAL 26 -9.837 0.589 1.428 241 H SER 27 H SER 27 -14.265 -0.180 -0.292 242 HA SER 27 HA SER 27 -14.200 -2.484 -1.878 243 HB2 SER 27 HB2 SER 27 -14.429 -0.460 -3.694 244 HB3 SER 27 HB3 SER 27 -15.771 -1.142 -2.782 245 HG SER 27 HG SER 27 -14.189 1.170 -2.319 246 H ARG 28 H ARG 28 -12.684 -3.275 -3.127 247 HA ARG 28 HA ARG 28 -10.034 -2.415 -2.900 248 HB2 ARG 28 HB2 ARG 28 -10.897 -4.704 -3.512 249 HB3 ARG 28 HB3 ARG 28 -11.031 -4.121 -5.195 250 HG2 ARG 28 HG2 ARG 28 -8.574 -3.416 -4.940 251 HG3 ARG 28 HG3 ARG 28 -8.610 -4.317 -3.427 252 HD2 ARG 28 HD2 ARG 28 -8.835 -5.323 -6.207 253 HD3 ARG 28 HD3 ARG 28 -7.815 -5.915 -4.962 254 HE ARG 28 HE ARG 28 -10.376 -6.384 -3.972 255 HH11 ARG 28 HH11 ARG 28 -8.526 -7.287 -6.779 256 HH12 ARG 28 HH12 ARG 28 -9.345 -8.773 -7.022 257 HH21 ARG 28 HH21 ARG 28 -11.456 -8.344 -4.267 258 HH22 ARG 28 HH22 ARG 28 -11.032 -9.377 -5.572 259 H GLN 29 H GLN 29 -12.464 -2.004 -5.401 260 HA GLN 29 HA GLN 29 -10.977 -0.802 -7.401 261 HB2 GLN 29 HB2 GLN 29 -13.137 0.412 -7.981 262 HB3 GLN 29 HB3 GLN 29 -13.249 -1.342 -7.913 263 HG2 GLN 29 HG2 GLN 29 -14.281 -1.272 -5.740 264 HG3 GLN 29 HG3 GLN 29 -13.960 0.441 -5.551 265 HE21 GLN 29 HE21 GLN 29 -15.811 -1.869 -7.598 266 HE22 GLN 29 HE22 GLN 29 -17.031 -0.751 -7.957 267 H THR 30 H THR 30 -12.434 0.681 -4.493 268 HA THR 30 HA THR 30 -11.891 3.320 -5.186 269 HB THR 30 HB THR 30 -11.787 3.197 -2.397 270 HG1 THR 30 HG1 THR 30 -12.260 0.992 -2.403 271 HG21 THR 30 HG21 THR 30 -14.333 3.299 -4.025 272 HG22 THR 30 HG22 THR 30 -13.171 4.626 -4.016 273 HG23 THR 30 HG23 THR 30 -13.951 4.131 -2.523 274 H ILE 31 H ILE 31 -10.000 1.045 -3.117 275 HA ILE 31 HA ILE 31 -7.904 2.911 -2.803 276 HB ILE 31 HB ILE 31 -8.289 0.970 -1.265 277 HG12 ILE 31 HG12 ILE 31 -5.816 0.458 -1.016 278 HG13 ILE 31 HG13 ILE 31 -5.543 1.291 -2.539 279 HG21 ILE 31 HG21 ILE 31 -7.143 -0.620 -3.611 280 HG22 ILE 31 HG22 ILE 31 -8.698 -0.821 -2.815 281 HG23 ILE 31 HG23 ILE 31 -7.227 -1.211 -1.955 282 HD11 ILE 31 HD11 ILE 31 -5.676 3.313 -1.570 283 HD12 ILE 31 HD12 ILE 31 -5.599 2.471 -0.028 284 HD13 ILE 31 HD13 ILE 31 -7.162 2.912 -0.719 285 H ASN 32 H ASN 32 -8.499 0.302 -5.056 286 HA ASN 32 HA ASN 32 -5.987 0.395 -6.321 287 HB2 ASN 32 HB2 ASN 32 -8.025 -1.294 -6.641 288 HB3 ASN 32 HB3 ASN 32 -8.435 -0.177 -7.941 289 HD21 ASN 32 HD21 ASN 32 -7.700 -2.799 -8.575 290 HD22 ASN 32 HD22 ASN 32 -6.168 -2.780 -9.308 291 H GLY 33 H GLY 33 -8.982 2.185 -6.838 292 HA2 GLY 33 HA2 GLY 33 -7.995 3.780 -9.018 293 HA3 GLY 33 HA3 GLY 33 -9.414 4.093 -8.026 294 H ILE 34 H ILE 34 -8.398 4.254 -5.492 295 HA ILE 34 HA ILE 34 -7.430 6.820 -5.621 296 HB ILE 34 HB ILE 34 -8.332 5.100 -3.424 297 HG12 ILE 34 HG12 ILE 34 -9.331 7.442 -2.832 298 HG13 ILE 34 HG13 ILE 34 -8.637 7.946 -4.360 299 HG21 ILE 34 HG21 ILE 34 -6.665 7.468 -2.609 300 HG22 ILE 34 HG22 ILE 34 -6.034 5.807 -2.611 301 HG23 ILE 34 HG23 ILE 34 -7.435 6.211 -1.655 302 HD11 ILE 34 HD11 ILE 34 -10.671 5.744 -3.989 303 HD12 ILE 34 HD12 ILE 34 -9.857 6.108 -5.512 304 HD13 ILE 34 HD13 ILE 34 -10.921 7.304 -4.774 305 H GLU 35 H GLU 35 -5.626 3.912 -4.762 306 HA GLU 35 HA GLU 35 -3.259 5.466 -4.311 307 HB2 GLU 35 HB2 GLU 35 -3.869 2.613 -4.331 308 HB3 GLU 35 HB3 GLU 35 -2.353 2.934 -5.155 309 HG2 GLU 35 HG2 GLU 35 -3.000 4.171 -2.494 310 HG3 GLU 35 HG3 GLU 35 -2.193 2.597 -2.588 311 H LYS 36 H LYS 36 -5.049 4.558 -6.954 312 HA LYS 36 HA LYS 36 -2.936 4.942 -8.882 313 HB2 LYS 36 HB2 LYS 36 -4.804 3.404 -9.363 314 HB3 LYS 36 HB3 LYS 36 -5.906 4.793 -9.450 315 HG2 LYS 36 HG2 LYS 36 -4.122 5.725 -11.192 316 HG3 LYS 36 HG3 LYS 36 -3.607 4.063 -11.233 317 HD2 LYS 36 HD2 LYS 36 -5.176 3.845 -12.844 318 HD3 LYS 36 HD3 LYS 36 -6.305 3.690 -11.513 319 HE2 LYS 36 HE2 LYS 36 -5.683 6.169 -13.147 320 HE3 LYS 36 HE3 LYS 36 -7.236 5.378 -12.914 321 HZ1 LYS 36 HZ1 LYS 36 -7.297 6.098 -10.646 322 HZ2 LYS 36 HZ2 LYS 36 -6.928 7.424 -11.602 323 HZ3 LYS 36 HZ3 LYS 36 -5.707 6.708 -10.704 324 H ASN 37 H ASN 37 -2.857 7.045 -7.290 325 HA ASN 37 HA ASN 37 -2.258 9.176 -8.058 326 HB2 ASN 37 HB2 ASN 37 -3.570 8.683 -10.228 327 HB3 ASN 37 HB3 ASN 37 -4.856 9.631 -9.432 328 HD21 ASN 37 HD21 ASN 37 -3.331 11.665 -8.223 329 HD22 ASN 37 HD22 ASN 37 -2.479 12.530 -9.385 330 H LYS 38 H LYS 38 -4.567 8.191 -5.914 331 HA LYS 38 HA LYS 38 -5.446 10.978 -5.380 332 HB2 LYS 38 HB2 LYS 38 -6.783 8.467 -5.187 333 HB3 LYS 38 HB3 LYS 38 -6.759 9.193 -3.594 334 HG2 LYS 38 HG2 LYS 38 -8.671 10.154 -4.494 335 HG3 LYS 38 HG3 LYS 38 -7.457 11.372 -4.870 336 HD2 LYS 38 HD2 LYS 38 -7.149 10.234 -7.134 337 HD3 LYS 38 HD3 LYS 38 -8.511 9.224 -6.754 338 HE2 LYS 38 HE2 LYS 38 -8.853 11.467 -8.102 339 HE3 LYS 38 HE3 LYS 38 -10.067 10.937 -6.948 340 HZ1 LYS 38 HZ1 LYS 38 -9.521 12.586 -5.484 341 HZ2 LYS 38 HZ2 LYS 38 -9.056 13.354 -6.889 342 HZ3 LYS 38 HZ3 LYS 38 -7.891 12.652 -5.912 343 H TYR 39 H TYR 39 -4.498 8.139 -3.462 344 HA TYR 39 HA TYR 39 -2.460 9.511 -2.097 345 HB2 TYR 39 HB2 TYR 39 -3.555 9.521 0.190 346 HB3 TYR 39 HB3 TYR 39 -4.044 10.790 -0.918 347 HD1 TYR 39 HD1 TYR 39 -5.081 7.560 0.602 348 HD2 TYR 39 HD2 TYR 39 -6.309 10.910 -1.778 349 HE1 TYR 39 HE1 TYR 39 -7.423 6.834 0.802 350 HE2 TYR 39 HE2 TYR 39 -8.661 10.190 -1.585 351 HH TYR 39 HH TYR 39 -9.918 8.602 0.407 352 H ASN 40 H ASN 40 -1.546 8.233 -0.318 353 HA ASN 40 HA ASN 40 -1.560 5.430 -0.905 354 HB2 ASN 40 HB2 ASN 40 0.439 6.679 0.109 355 HB3 ASN 40 HB3 ASN 40 -0.487 6.778 1.593 356 HD21 ASN 40 HD21 ASN 40 -1.123 4.663 2.645 357 HD22 ASN 40 HD22 ASN 40 -0.127 3.319 2.374 358 HA PRO 41 HA PRO 41 -5.036 4.214 1.579 359 HB2 PRO 41 HB2 PRO 41 -3.381 2.150 2.886 360 HB3 PRO 41 HB3 PRO 41 -4.835 1.965 1.888 361 HG2 PRO 41 HG2 PRO 41 -2.100 1.651 1.105 362 HG3 PRO 41 HG3 PRO 41 -3.554 1.432 0.126 363 HD2 PRO 41 HD2 PRO 41 -1.736 3.410 -0.363 364 HD3 PRO 41 HD3 PRO 41 -3.463 3.514 -0.778 365 H SER 42 H SER 42 -5.792 4.781 3.644 366 HA SER 42 HA SER 42 -4.257 6.430 5.284 367 HB2 SER 42 HB2 SER 42 -6.603 4.800 6.344 368 HB3 SER 42 HB3 SER 42 -6.062 6.383 6.801 369 HG SER 42 HG SER 42 -6.689 7.186 4.801 370 H LEU 43 H LEU 43 -2.927 5.994 7.030 371 HA LEU 43 HA LEU 43 -1.602 3.614 6.808 372 HB2 LEU 43 HB2 LEU 43 -1.465 5.629 9.045 373 HB3 LEU 43 HB3 LEU 43 -0.371 4.255 8.892 374 HG LEU 43 HG LEU 43 -0.788 6.393 6.778 375 HD11 LEU 43 HD11 LEU 43 1.889 6.107 7.903 376 HD12 LEU 43 HD12 LEU 43 0.707 6.584 9.107 377 HD13 LEU 43 HD13 LEU 43 0.915 7.543 7.640 378 HD21 LEU 43 HD21 LEU 43 0.697 3.792 6.832 379 HD22 LEU 43 HD22 LEU 43 1.495 5.149 6.044 380 HD23 LEU 43 HD23 LEU 43 -0.068 4.620 5.466 381 H GLN 44 H GLN 44 -4.055 4.471 9.124 382 HA GLN 44 HA GLN 44 -3.771 2.218 10.827 383 HB2 GLN 44 HB2 GLN 44 -6.294 3.724 10.106 384 HB3 GLN 44 HB3 GLN 44 -6.150 2.609 11.458 385 HG2 GLN 44 HG2 GLN 44 -4.473 5.119 11.114 386 HG3 GLN 44 HG3 GLN 44 -5.872 4.980 12.157 387 HE21 GLN 44 HE21 GLN 44 -5.444 4.331 14.260 388 HE22 GLN 44 HE22 GLN 44 -4.032 3.548 14.775 389 H LEU 45 H LEU 45 -5.656 2.571 7.829 390 HA LEU 45 HA LEU 45 -6.301 -0.256 7.959 391 HB2 LEU 45 HB2 LEU 45 -7.362 0.097 5.680 392 HB3 LEU 45 HB3 LEU 45 -8.087 0.963 7.014 393 HG LEU 45 HG LEU 45 -6.314 2.855 6.237 394 HD11 LEU 45 HD11 LEU 45 -6.695 2.777 3.616 395 HD12 LEU 45 HD12 LEU 45 -6.701 1.041 3.889 396 HD13 LEU 45 HD13 LEU 45 -5.299 2.020 4.371 397 HD21 LEU 45 HD21 LEU 45 -8.498 3.654 6.309 398 HD22 LEU 45 HD22 LEU 45 -9.144 2.228 5.510 399 HD23 LEU 45 HD23 LEU 45 -8.367 3.488 4.571 400 H ALA 46 H ALA 46 -4.035 1.861 6.359 401 HA ALA 46 HA ALA 46 -3.125 0.197 4.340 402 HB1 ALA 46 HB1 ALA 46 -2.368 2.622 4.823 403 HB2 ALA 46 HB2 ALA 46 -1.175 1.485 4.229 404 HB3 ALA 46 HB3 ALA 46 -1.229 1.867 5.947 405 H LEU 47 H LEU 47 -2.364 0.298 7.748 406 HA LEU 47 HA LEU 47 -0.190 -1.457 7.718 407 HB2 LEU 47 HB2 LEU 47 -0.737 -0.082 9.688 408 HB3 LEU 47 HB3 LEU 47 -2.220 -1.009 9.908 409 HG LEU 47 HG LEU 47 -0.923 -3.059 10.280 410 HD11 LEU 47 HD11 LEU 47 1.075 -3.086 9.199 411 HD12 LEU 47 HD12 LEU 47 1.666 -2.408 10.703 412 HD13 LEU 47 HD13 LEU 47 1.300 -1.339 9.344 413 HD21 LEU 47 HD21 LEU 47 0.289 -2.334 12.386 414 HD22 LEU 47 HD22 LEU 47 -1.391 -1.821 12.278 415 HD23 LEU 47 HD23 LEU 47 -0.090 -0.666 11.962 416 H LYS 48 H LYS 48 -3.655 -2.108 8.014 417 HA LYS 48 HA LYS 48 -3.456 -4.898 8.406 418 HB2 LYS 48 HB2 LYS 48 -5.580 -3.620 8.638 419 HB3 LYS 48 HB3 LYS 48 -5.652 -3.433 6.887 420 HG2 LYS 48 HG2 LYS 48 -5.600 -5.941 6.642 421 HG3 LYS 48 HG3 LYS 48 -5.641 -6.072 8.398 422 HD2 LYS 48 HD2 LYS 48 -7.803 -4.925 8.457 423 HD3 LYS 48 HD3 LYS 48 -7.801 -4.783 6.694 424 HE2 LYS 48 HE2 LYS 48 -7.624 -7.300 6.551 425 HE3 LYS 48 HE3 LYS 48 -7.798 -7.364 8.299 426 HZ1 LYS 48 HZ1 LYS 48 -9.886 -7.727 7.360 427 HZ2 LYS 48 HZ2 LYS 48 -9.783 -6.420 6.311 428 HZ3 LYS 48 HZ3 LYS 48 -9.988 -6.156 7.989 429 H ILE 49 H ILE 49 -3.744 -2.931 5.477 430 HA ILE 49 HA ILE 49 -3.563 -5.177 3.723 431 HB ILE 49 HB ILE 49 -4.068 -3.744 2.104 432 HG12 ILE 49 HG12 ILE 49 -1.667 -2.055 2.989 433 HG13 ILE 49 HG13 ILE 49 -1.824 -3.111 1.572 434 HG21 ILE 49 HG21 ILE 49 -5.259 -2.680 4.087 435 HG22 ILE 49 HG22 ILE 49 -4.954 -1.579 2.748 436 HG23 ILE 49 HG23 ILE 49 -3.918 -1.544 4.154 437 HD11 ILE 49 HD11 ILE 49 -2.235 -1.111 0.533 438 HD12 ILE 49 HD12 ILE 49 -2.832 -0.367 2.003 439 HD13 ILE 49 HD13 ILE 49 -3.868 -1.435 1.057 440 H ALA 50 H ALA 50 -1.227 -2.861 4.934 441 HA ALA 50 HA ALA 50 1.019 -3.729 3.512 442 HB1 ALA 50 HB1 ALA 50 2.299 -2.441 5.022 443 HB2 ALA 50 HB2 ALA 50 1.168 -2.668 6.321 444 HB3 ALA 50 HB3 ALA 50 0.750 -1.614 4.960 445 H TYR 51 H TYR 51 -0.262 -4.710 6.673 446 HA TYR 51 HA TYR 51 1.772 -6.512 7.401 447 HB2 TYR 51 HB2 TYR 51 0.135 -5.778 8.991 448 HB3 TYR 51 HB3 TYR 51 -1.177 -6.469 8.067 449 HD1 TYR 51 HD1 TYR 51 1.811 -7.299 10.147 450 HD2 TYR 51 HD2 TYR 51 -1.690 -8.837 8.161 451 HE1 TYR 51 HE1 TYR 51 2.061 -9.444 11.336 452 HE2 TYR 51 HE2 TYR 51 -1.427 -10.965 9.348 453 HH TYR 51 HH TYR 51 1.333 -11.903 10.805 454 H TYR 52 H TYR 52 -1.318 -7.123 5.762 455 HA TYR 52 HA TYR 52 -0.656 -9.866 5.223 456 HB2 TYR 52 HB2 TYR 52 -2.910 -8.114 4.203 457 HB3 TYR 52 HB3 TYR 52 -2.690 -9.790 3.704 458 HD1 TYR 52 HD1 TYR 52 -2.348 -11.556 5.587 459 HD2 TYR 52 HD2 TYR 52 -4.094 -7.699 6.228 460 HE1 TYR 52 HE1 TYR 52 -3.343 -12.372 7.693 461 HE2 TYR 52 HE2 TYR 52 -5.102 -8.513 8.355 462 HH TYR 52 HH TYR 52 -5.710 -11.300 9.152 463 H LEU 53 H LEU 53 -0.304 -6.855 3.533 464 HA LEU 53 HA LEU 53 0.477 -7.856 1.009 465 HB2 LEU 53 HB2 LEU 53 -0.088 -5.487 1.351 466 HB3 LEU 53 HB3 LEU 53 1.265 -5.346 2.482 467 HG LEU 53 HG LEU 53 2.810 -5.941 0.577 468 HD11 LEU 53 HD11 LEU 53 2.037 -6.569 -1.399 469 HD12 LEU 53 HD12 LEU 53 1.005 -5.154 -1.526 470 HD13 LEU 53 HD13 LEU 53 0.407 -6.614 -0.736 471 HD21 LEU 53 HD21 LEU 53 1.048 -3.496 0.429 472 HD22 LEU 53 HD22 LEU 53 2.474 -3.678 -0.586 473 HD23 LEU 53 HD23 LEU 53 2.646 -3.622 1.162 474 H ASN 54 H ASN 54 1.976 -7.944 4.094 475 HA ASN 54 HA ASN 54 3.889 -8.979 4.779 476 HB2 ASN 54 HB2 ASN 54 4.588 -9.207 1.838 477 HB3 ASN 54 HB3 ASN 54 5.644 -9.630 3.126 478 HD21 ASN 54 HD21 ASN 54 3.883 -11.278 1.048 479 HD22 ASN 54 HD22 ASN 54 3.235 -12.492 2.025 480 H THR 55 H THR 55 3.554 -6.252 4.822 481 HA THR 55 HA THR 55 6.322 -5.472 4.777 482 HB THR 55 HB THR 55 4.656 -4.954 2.642 483 HG1 THR 55 HG1 THR 55 7.170 -3.821 3.355 484 HG21 THR 55 HG21 THR 55 3.610 -3.078 3.534 485 HG22 THR 55 HG22 THR 55 4.854 -2.397 2.506 486 HG23 THR 55 HG23 THR 55 5.091 -2.417 4.242 487 HA PRO 56 HA PRO 56 4.721 -3.479 8.463 488 HB2 PRO 56 HB2 PRO 56 7.460 -2.343 8.484 489 HB3 PRO 56 HB3 PRO 56 6.580 -3.171 9.782 490 HG2 PRO 56 HG2 PRO 56 8.493 -4.411 8.492 491 HG3 PRO 56 HG3 PRO 56 6.993 -5.278 8.913 492 HD2 PRO 56 HD2 PRO 56 7.886 -4.216 6.275 493 HD3 PRO 56 HD3 PRO 56 7.001 -5.718 6.650 494 H LEU 57 H LEU 57 4.205 -1.360 9.105 495 HA LEU 57 HA LEU 57 3.428 0.378 7.093 496 HB2 LEU 57 HB2 LEU 57 2.769 0.189 9.664 497 HB3 LEU 57 HB3 LEU 57 4.000 1.419 9.854 498 HG LEU 57 HG LEU 57 1.749 2.402 9.592 499 HD11 LEU 57 HD11 LEU 57 3.936 3.420 8.609 500 HD12 LEU 57 HD12 LEU 57 2.376 4.125 8.207 501 HD13 LEU 57 HD13 LEU 57 3.185 3.085 7.042 502 HD21 LEU 57 HD21 LEU 57 0.320 1.925 7.847 503 HD22 LEU 57 HD22 LEU 57 1.196 0.404 7.869 504 HD23 LEU 57 HD23 LEU 57 1.621 1.653 6.700 505 H GLU 58 H GLU 58 6.336 0.384 9.064 506 HA GLU 58 HA GLU 58 7.389 2.874 8.236 507 HB2 GLU 58 HB2 GLU 58 9.677 1.655 8.657 508 HB3 GLU 58 HB3 GLU 58 8.618 2.066 9.988 509 HG2 GLU 58 HG2 GLU 58 8.288 -0.603 8.649 510 HG3 GLU 58 HG3 GLU 58 9.581 -0.355 9.815 511 H ASP 59 H ASP 59 7.067 -0.096 6.446 512 HA ASP 59 HA ASP 59 9.217 0.329 4.662 513 HB2 ASP 59 HB2 ASP 59 6.703 -1.294 4.463 514 HB3 ASP 59 HB3 ASP 59 7.640 -1.006 3.013 515 H ILE 60 H ILE 60 5.960 1.503 4.767 516 HA ILE 60 HA ILE 60 6.380 2.988 2.267 517 HB ILE 60 HB ILE 60 4.001 3.581 2.436 518 HG12 ILE 60 HG12 ILE 60 3.969 1.693 4.817 519 HG13 ILE 60 HG13 ILE 60 3.818 3.439 4.947 520 HG21 ILE 60 HG21 ILE 60 4.778 1.495 1.257 521 HG22 ILE 60 HG22 ILE 60 3.119 1.419 1.863 522 HG23 ILE 60 HG23 ILE 60 4.406 0.597 2.738 523 HD11 ILE 60 HD11 ILE 60 1.883 3.026 3.133 524 HD12 ILE 60 HD12 ILE 60 1.580 2.866 4.872 525 HD13 ILE 60 HD13 ILE 60 1.904 1.436 3.891 526 H PHE 61 H PHE 61 5.955 3.439 5.712 527 HA PHE 61 HA PHE 61 5.984 6.317 5.501 528 HB2 PHE 61 HB2 PHE 61 5.233 4.588 7.506 529 HB3 PHE 61 HB3 PHE 61 6.754 5.174 8.136 530 HD1 PHE 61 HD1 PHE 61 3.811 6.600 6.265 531 HD2 PHE 61 HD2 PHE 61 6.634 7.096 9.485 532 HE1 PHE 61 HE1 PHE 61 2.746 8.734 6.883 533 HE2 PHE 61 HE2 PHE 61 5.558 9.227 10.085 534 HZ PHE 61 HZ PHE 61 3.611 10.050 8.791 535 H GLN 62 H GLN 62 7.938 5.588 3.982 536 HA GLN 62 HA GLN 62 10.476 5.191 5.205 537 HB2 GLN 62 HB2 GLN 62 9.710 6.160 2.464 538 HB3 GLN 62 HB3 GLN 62 11.359 5.809 2.957 539 HG2 GLN 62 HG2 GLN 62 9.085 3.825 3.080 540 HG3 GLN 62 HG3 GLN 62 10.270 3.981 1.772 541 HE21 GLN 62 HE21 GLN 62 9.809 2.628 4.973 542 HE22 GLN 62 HE22 GLN 62 11.397 2.054 5.142 543 H TRP 63 H TRP 63 12.210 6.587 4.879 544 HA TRP 63 HA TRP 63 11.782 9.344 5.710 545 HB2 TRP 63 HB2 TRP 63 14.467 9.138 5.145 546 HB3 TRP 63 HB3 TRP 63 13.785 8.753 6.710 547 HD1 TRP 63 HD1 TRP 63 15.954 7.259 4.209 548 HE1 TRP 63 HE1 TRP 63 16.077 4.711 4.440 549 HE3 TRP 63 HE3 TRP 63 11.950 6.436 7.313 550 HZ2 TRP 63 HZ2 TRP 63 14.676 2.593 5.750 551 HZ3 TRP 63 HZ3 TRP 63 11.378 4.131 8.024 552 HH2 TRP 63 HH2 TRP 63 12.740 2.211 7.245 553 H GLN 64 H GLN 64 12.179 11.071 4.269 554 HA GLN 64 HA GLN 64 11.977 10.236 1.455 555 HB2 GLN 64 HB2 GLN 64 11.548 13.080 2.270 556 HB3 GLN 64 HB3 GLN 64 10.810 12.125 0.990 557 HG2 GLN 64 HG2 GLN 64 9.072 11.599 2.276 558 HG3 GLN 64 HG3 GLN 64 10.083 10.872 3.499 559 HE21 GLN 64 HE21 GLN 64 8.399 11.845 5.013 560 HE22 GLN 64 HE22 GLN 64 8.589 13.472 5.463 561 HA PRO 65 HA PRO 65 16.265 11.846 1.251 562 HB2 PRO 65 HB2 PRO 65 17.146 10.017 -0.569 563 HB3 PRO 65 HB3 PRO 65 17.121 9.695 1.177 564 HG2 PRO 65 HG2 PRO 65 15.155 8.861 -0.909 565 HG3 PRO 65 HG3 PRO 65 15.847 7.922 0.422 566 HD2 PRO 65 HD2 PRO 65 13.388 8.950 0.646 567 HD3 PRO 65 HD3 PRO 65 14.511 8.871 2.036 568 H GLU 66 H GLU 66 14.071 13.037 0.112 569 HA GLU 66 HA GLU 66 13.720 12.967 -2.632 570 HB2 GLU 66 HB2 GLU 66 13.433 15.313 -0.733 571 HB3 GLU 66 HB3 GLU 66 12.806 15.253 -2.383 572 HG2 GLU 66 HG2 GLU 66 11.408 13.317 -1.813 573 HG3 GLU 66 HG3 GLU 66 12.105 13.294 -0.199 Start of MODEL 14 1 H1 MET 1 H1 MET 1 8.458 9.252 -2.955 2 HA MET 1 HA MET 1 10.181 11.202 -4.040 3 HB2 MET 1 HB2 MET 1 8.792 11.998 -1.464 4 HB3 MET 1 HB3 MET 1 10.250 12.757 -2.101 5 HG2 MET 1 HG2 MET 1 9.067 13.343 -4.167 6 HG3 MET 1 HG3 MET 1 7.592 12.599 -3.555 7 HE1 MET 1 HE1 MET 1 6.387 13.129 -1.665 8 HE2 MET 1 HE2 MET 1 6.197 14.748 -0.967 9 HE3 MET 1 HE3 MET 1 7.417 13.661 -0.344 10 H ILE 2 H ILE 2 10.242 11.065 -0.604 11 HA ILE 2 HA ILE 2 12.684 9.618 -0.593 12 HB ILE 2 HB ILE 2 10.700 10.182 1.647 13 HG12 ILE 2 HG12 ILE 2 13.384 11.437 1.007 14 HG13 ILE 2 HG13 ILE 2 11.828 12.105 0.479 15 HG21 ILE 2 HG21 ILE 2 12.212 8.219 2.161 16 HG22 ILE 2 HG22 ILE 2 12.624 9.642 3.125 17 HG23 ILE 2 HG23 ILE 2 13.587 9.235 1.730 18 HD11 ILE 2 HD11 ILE 2 11.535 11.562 3.232 19 HD12 ILE 2 HD12 ILE 2 11.666 13.148 2.469 20 HD13 ILE 2 HD13 ILE 2 13.112 12.321 3.050 21 H ILE 3 H ILE 3 9.338 8.844 0.005 22 HA ILE 3 HA ILE 3 9.917 6.029 -0.612 23 HB ILE 3 HB ILE 3 7.387 6.118 0.686 24 HG12 ILE 3 HG12 ILE 3 8.294 8.264 1.764 25 HG13 ILE 3 HG13 ILE 3 7.845 6.960 2.873 26 HG21 ILE 3 HG21 ILE 3 8.537 4.642 2.331 27 HG22 ILE 3 HG22 ILE 3 10.061 4.964 1.521 28 HG23 ILE 3 HG23 ILE 3 8.765 4.152 0.660 29 HD11 ILE 3 HD11 ILE 3 10.289 8.272 2.807 30 HD12 ILE 3 HD12 ILE 3 10.637 6.723 2.040 31 HD13 ILE 3 HD13 ILE 3 9.936 6.759 3.641 32 H ASN 4 H ASN 4 7.338 5.219 -1.077 33 HA ASN 4 HA ASN 4 6.147 7.110 -2.936 34 HB2 ASN 4 HB2 ASN 4 6.196 5.401 -4.785 35 HB3 ASN 4 HB3 ASN 4 7.742 6.156 -4.414 36 HD21 ASN 4 HD21 ASN 4 6.426 3.662 -2.226 37 HD22 ASN 4 HD22 ASN 4 7.554 2.489 -2.661 38 H ASN 5 H ASN 5 4.325 5.976 -4.100 39 HA ASN 5 HA ASN 5 2.231 5.423 -2.450 40 HB2 ASN 5 HB2 ASN 5 2.757 4.465 -5.251 41 HB3 ASN 5 HB3 ASN 5 1.218 4.255 -4.451 42 HD21 ASN 5 HD21 ASN 5 1.688 7.040 -3.065 43 HD22 ASN 5 HD22 ASN 5 1.315 8.124 -4.307 44 H LEU 6 H LEU 6 0.954 3.494 -2.195 45 HA LEU 6 HA LEU 6 2.391 1.389 -0.897 46 HB2 LEU 6 HB2 LEU 6 0.048 2.112 -0.302 47 HB3 LEU 6 HB3 LEU 6 -0.499 1.410 -1.816 48 HG LEU 6 HG LEU 6 -0.785 -0.035 0.234 49 HD11 LEU 6 HD11 LEU 6 -0.482 -0.724 -2.312 50 HD12 LEU 6 HD12 LEU 6 -0.698 -1.906 -1.044 51 HD13 LEU 6 HD13 LEU 6 0.920 -1.565 -1.656 52 HD21 LEU 6 HD21 LEU 6 1.587 0.554 1.124 53 HD22 LEU 6 HD22 LEU 6 2.186 -0.612 -0.058 54 HD23 LEU 6 HD23 LEU 6 1.091 -1.117 1.229 55 H LYS 7 H LYS 7 0.692 1.686 -3.950 56 HA LYS 7 HA LYS 7 1.030 -0.932 -4.908 57 HB2 LYS 7 HB2 LYS 7 0.825 0.163 -7.192 58 HB3 LYS 7 HB3 LYS 7 -0.508 0.464 -6.068 59 HG2 LYS 7 HG2 LYS 7 1.134 2.574 -5.483 60 HG3 LYS 7 HG3 LYS 7 1.529 2.282 -7.175 61 HD2 LYS 7 HD2 LYS 7 -0.797 2.519 -7.854 62 HD3 LYS 7 HD3 LYS 7 -1.274 2.540 -6.154 63 HE2 LYS 7 HE2 LYS 7 -1.242 4.810 -7.199 64 HE3 LYS 7 HE3 LYS 7 -0.246 4.677 -5.764 65 HZ1 LYS 7 HZ1 LYS 7 1.335 5.563 -7.087 66 HZ2 LYS 7 HZ2 LYS 7 0.533 5.219 -8.492 67 HZ3 LYS 7 HZ3 LYS 7 1.489 4.035 -7.849 68 H LEU 8 H LEU 8 3.214 1.757 -4.882 69 HA LEU 8 HA LEU 8 5.152 0.712 -6.670 70 HB2 LEU 8 HB2 LEU 8 5.249 2.834 -4.537 71 HB3 LEU 8 HB3 LEU 8 6.729 2.213 -5.245 72 HG LEU 8 HG LEU 8 5.714 4.280 -6.386 73 HD11 LEU 8 HD11 LEU 8 5.884 2.531 -8.620 74 HD12 LEU 8 HD12 LEU 8 7.081 2.022 -7.430 75 HD13 LEU 8 HD13 LEU 8 7.073 3.676 -8.031 76 HD21 LEU 8 HD21 LEU 8 3.810 4.103 -7.676 77 HD22 LEU 8 HD22 LEU 8 3.350 2.984 -6.402 78 HD23 LEU 8 HD23 LEU 8 3.979 2.372 -7.920 79 H ILE 9 H ILE 9 4.587 0.340 -3.251 80 HA ILE 9 HA ILE 9 6.956 -1.129 -2.653 81 HB ILE 9 HB ILE 9 4.245 -1.277 -1.279 82 HG12 ILE 9 HG12 ILE 9 5.021 1.066 -1.440 83 HG13 ILE 9 HG13 ILE 9 5.130 0.491 0.214 84 HG21 ILE 9 HG21 ILE 9 5.250 -2.609 0.236 85 HG22 ILE 9 HG22 ILE 9 6.594 -1.496 0.411 86 HG23 ILE 9 HG23 ILE 9 6.642 -2.723 -0.835 87 HD11 ILE 9 HD11 ILE 9 7.396 0.840 -1.756 88 HD12 ILE 9 HD12 ILE 9 7.554 -0.100 -0.264 89 HD13 ILE 9 HD13 ILE 9 7.169 1.615 -0.186 90 H ARG 10 H ARG 10 3.712 -1.964 -3.638 91 HA ARG 10 HA ARG 10 3.703 -4.708 -3.366 92 HB2 ARG 10 HB2 ARG 10 1.714 -3.504 -3.900 93 HB3 ARG 10 HB3 ARG 10 2.385 -2.971 -5.425 94 HG2 ARG 10 HG2 ARG 10 2.369 -5.900 -4.991 95 HG3 ARG 10 HG3 ARG 10 0.780 -5.209 -5.200 96 HD2 ARG 10 HD2 ARG 10 3.049 -5.337 -7.177 97 HD3 ARG 10 HD3 ARG 10 1.366 -5.661 -7.420 98 HE ARG 10 HE ARG 10 2.645 -3.158 -7.802 99 HH11 ARG 10 HH11 ARG 10 -0.233 -4.582 -6.574 100 HH12 ARG 10 HH12 ARG 10 -1.283 -3.293 -6.932 101 HH21 ARG 10 HH21 ARG 10 1.339 -1.403 -8.407 102 HH22 ARG 10 HH22 ARG 10 -0.325 -1.379 -8.044 103 H GLU 11 H GLU 11 4.770 -2.824 -6.222 104 HA GLU 11 HA GLU 11 5.223 -5.099 -7.831 105 HB2 GLU 11 HB2 GLU 11 6.931 -3.497 -9.033 106 HB3 GLU 11 HB3 GLU 11 5.211 -3.197 -9.162 107 HG2 GLU 11 HG2 GLU 11 5.345 -1.491 -7.394 108 HG3 GLU 11 HG3 GLU 11 7.036 -1.930 -7.117 109 H LYS 12 H LYS 12 7.289 -3.475 -5.539 110 HA LYS 12 HA LYS 12 9.711 -4.648 -6.272 111 HB2 LYS 12 HB2 LYS 12 8.888 -3.979 -3.443 112 HB3 LYS 12 HB3 LYS 12 10.514 -4.039 -4.102 113 HG2 LYS 12 HG2 LYS 12 8.330 -2.052 -4.769 114 HG3 LYS 12 HG3 LYS 12 9.881 -1.726 -4.017 115 HD2 LYS 12 HD2 LYS 12 11.037 -2.501 -6.078 116 HD3 LYS 12 HD3 LYS 12 9.493 -2.698 -6.887 117 HE2 LYS 12 HE2 LYS 12 10.692 -0.149 -5.822 118 HE3 LYS 12 HE3 LYS 12 10.431 -0.625 -7.509 119 HZ1 LYS 12 HZ1 LYS 12 7.980 -0.592 -5.850 120 HZ2 LYS 12 HZ2 LYS 12 8.273 -0.058 -7.453 121 HZ3 LYS 12 HZ3 LYS 12 8.753 0.868 -6.110 122 H LYS 13 H LYS 13 7.254 -5.750 -3.984 123 HA LYS 13 HA LYS 13 8.779 -8.157 -3.457 124 HB2 LYS 13 HB2 LYS 13 6.987 -8.659 -1.785 125 HB3 LYS 13 HB3 LYS 13 7.885 -7.165 -1.503 126 HG2 LYS 13 HG2 LYS 13 6.077 -5.822 -2.398 127 HG3 LYS 13 HG3 LYS 13 5.200 -7.236 -2.952 128 HD2 LYS 13 HD2 LYS 13 4.089 -7.016 -0.970 129 HD3 LYS 13 HD3 LYS 13 5.472 -7.857 -0.295 130 HE2 LYS 13 HE2 LYS 13 5.659 -4.854 -0.565 131 HE3 LYS 13 HE3 LYS 13 4.629 -5.520 0.666 132 HZ1 LYS 13 HZ1 LYS 13 6.539 -6.802 1.545 133 HZ2 LYS 13 HZ2 LYS 13 6.772 -5.133 1.500 134 HZ3 LYS 13 HZ3 LYS 13 7.499 -6.131 0.329 135 H LYS 14 H LYS 14 6.733 -7.374 -5.836 136 HA LYS 14 HA LYS 14 5.538 -8.574 -7.375 137 HB2 LYS 14 HB2 LYS 14 6.756 -11.099 -6.262 138 HB3 LYS 14 HB3 LYS 14 6.282 -10.748 -7.910 139 HG2 LYS 14 HG2 LYS 14 8.599 -9.432 -6.435 140 HG3 LYS 14 HG3 LYS 14 8.744 -10.652 -7.688 141 HD2 LYS 14 HD2 LYS 14 7.313 -8.021 -8.226 142 HD3 LYS 14 HD3 LYS 14 9.049 -8.194 -8.370 143 HE2 LYS 14 HE2 LYS 14 8.776 -10.046 -9.986 144 HE3 LYS 14 HE3 LYS 14 7.028 -9.912 -9.855 145 HZ1 LYS 14 HZ1 LYS 14 7.117 -7.705 -10.785 146 HZ2 LYS 14 HZ2 LYS 14 8.002 -8.741 -11.790 147 HZ3 LYS 14 HZ3 LYS 14 8.813 -7.726 -10.740 148 H ILE 15 H ILE 15 4.034 -7.917 -5.273 149 HA ILE 15 HA ILE 15 2.375 -10.310 -4.742 150 HB ILE 15 HB ILE 15 2.894 -7.793 -3.170 151 HG12 ILE 15 HG12 ILE 15 2.537 -9.488 -1.292 152 HG13 ILE 15 HG13 ILE 15 2.414 -10.727 -2.521 153 HG21 ILE 15 HG21 ILE 15 0.300 -9.195 -3.415 154 HG22 ILE 15 HG22 ILE 15 0.574 -7.452 -3.367 155 HG23 ILE 15 HG23 ILE 15 0.707 -8.423 -1.896 156 HD11 ILE 15 HD11 ILE 15 4.653 -10.881 -2.517 157 HD12 ILE 15 HD12 ILE 15 4.767 -9.546 -1.385 158 HD13 ILE 15 HD13 ILE 15 4.755 -9.224 -3.115 159 H SER 16 H SER 16 0.264 -10.367 -5.515 160 HA SER 16 HA SER 16 -0.271 -8.452 -7.587 161 HB2 SER 16 HB2 SER 16 -1.924 -9.910 -8.364 162 HB3 SER 16 HB3 SER 16 -0.760 -10.984 -7.642 163 HG SER 16 HG SER 16 -2.043 -11.119 -5.807 164 H GLN 17 H GLN 17 -2.503 -7.523 -7.831 165 HA GLN 17 HA GLN 17 -2.803 -5.597 -5.841 166 HB2 GLN 17 HB2 GLN 17 -3.633 -5.640 -8.339 167 HB3 GLN 17 HB3 GLN 17 -5.100 -6.302 -7.634 168 HG2 GLN 17 HG2 GLN 17 -5.519 -4.005 -7.678 169 HG3 GLN 17 HG3 GLN 17 -5.035 -4.301 -6.018 170 HE21 GLN 17 HE21 GLN 17 -4.251 -2.577 -8.902 171 HE22 GLN 17 HE22 GLN 17 -2.804 -1.891 -8.365 172 H SER 18 H SER 18 -4.633 -8.559 -6.418 173 HA SER 18 HA SER 18 -6.666 -8.127 -4.574 174 HB2 SER 18 HB2 SER 18 -5.420 -10.727 -5.483 175 HB3 SER 18 HB3 SER 18 -6.866 -10.622 -4.513 176 HG SER 18 HG SER 18 -6.976 -10.665 -6.963 177 H GLU 19 H GLU 19 -3.418 -9.439 -4.038 178 HA GLU 19 HA GLU 19 -3.800 -10.381 -1.417 179 HB2 GLU 19 HB2 GLU 19 -1.528 -9.393 -2.987 180 HB3 GLU 19 HB3 GLU 19 -1.238 -9.661 -1.267 181 HG2 GLU 19 HG2 GLU 19 -0.682 -11.745 -2.155 182 HG3 GLU 19 HG3 GLU 19 -2.368 -12.027 -1.816 183 H LEU 20 H LEU 20 -2.787 -7.220 -2.546 184 HA LEU 20 HA LEU 20 -2.816 -6.219 0.181 185 HB2 LEU 20 HB2 LEU 20 -2.291 -3.966 -0.951 186 HB3 LEU 20 HB3 LEU 20 -1.066 -5.208 -0.930 187 HG LEU 20 HG LEU 20 -2.150 -5.871 -3.313 188 HD11 LEU 20 HD11 LEU 20 -2.510 -3.130 -3.956 189 HD12 LEU 20 HD12 LEU 20 -3.576 -3.494 -2.611 190 HD13 LEU 20 HD13 LEU 20 -3.650 -4.453 -4.082 191 HD21 LEU 20 HD21 LEU 20 0.068 -5.293 -3.377 192 HD22 LEU 20 HD22 LEU 20 -0.174 -3.747 -2.562 193 HD23 LEU 20 HD23 LEU 20 -0.648 -3.914 -4.244 194 H ALA 21 H ALA 21 -4.531 -5.361 -2.766 195 HA ALA 21 HA ALA 21 -6.067 -3.393 -1.547 196 HB1 ALA 21 HB1 ALA 21 -6.617 -4.839 -4.148 197 HB2 ALA 21 HB2 ALA 21 -5.675 -3.371 -3.902 198 HB3 ALA 21 HB3 ALA 21 -7.396 -3.338 -3.616 199 H ALA 22 H ALA 22 -6.906 -6.772 -1.955 200 HA ALA 22 HA ALA 22 -9.655 -6.482 -1.320 201 HB1 ALA 22 HB1 ALA 22 -8.667 -8.531 -2.385 202 HB2 ALA 22 HB2 ALA 22 -9.711 -8.871 -1.007 203 HB3 ALA 22 HB3 ALA 22 -7.967 -8.936 -0.819 204 H LEU 23 H LEU 23 -6.847 -6.970 0.670 205 HA LEU 23 HA LEU 23 -8.128 -7.864 2.971 206 HB2 LEU 23 HB2 LEU 23 -5.393 -6.782 2.457 207 HB3 LEU 23 HB3 LEU 23 -5.912 -7.036 4.105 208 HG LEU 23 HG LEU 23 -4.760 -9.038 3.113 209 HD11 LEU 23 HD11 LEU 23 -6.802 -8.986 4.881 210 HD12 LEU 23 HD12 LEU 23 -5.987 -10.463 4.365 211 HD13 LEU 23 HD13 LEU 23 -7.504 -9.999 3.619 212 HD21 LEU 23 HD21 LEU 23 -7.306 -9.407 1.522 213 HD22 LEU 23 HD22 LEU 23 -5.814 -10.337 1.435 214 HD23 LEU 23 HD23 LEU 23 -5.853 -8.691 0.807 215 H LEU 24 H LEU 24 -7.690 -4.589 1.990 216 HA LEU 24 HA LEU 24 -7.891 -3.421 4.577 217 HB2 LEU 24 HB2 LEU 24 -8.836 -1.411 3.011 218 HB3 LEU 24 HB3 LEU 24 -7.135 -1.737 3.274 219 HG LEU 24 HG LEU 24 -8.685 -3.050 1.016 220 HD11 LEU 24 HD11 LEU 24 -8.321 -1.336 -0.374 221 HD12 LEU 24 HD12 LEU 24 -6.847 -0.827 0.460 222 HD13 LEU 24 HD13 LEU 24 -8.409 -0.356 1.103 223 HD21 LEU 24 HD21 LEU 24 -5.927 -2.582 0.449 224 HD22 LEU 24 HD22 LEU 24 -6.783 -4.083 0.663 225 HD23 LEU 24 HD23 LEU 24 -5.997 -3.318 2.045 226 H GLU 25 H GLU 25 -10.185 -5.052 2.835 227 HA GLU 25 HA GLU 25 -12.408 -5.375 3.074 228 HB2 GLU 25 HB2 GLU 25 -11.905 -4.065 5.764 229 HB3 GLU 25 HB3 GLU 25 -13.380 -4.904 5.315 230 HG2 GLU 25 HG2 GLU 25 -12.153 -6.961 4.863 231 HG3 GLU 25 HG3 GLU 25 -10.629 -6.182 5.241 232 H VAL 26 H VAL 26 -11.488 -2.991 1.790 233 HA VAL 26 HA VAL 26 -13.988 -1.440 1.892 234 HB VAL 26 HB VAL 26 -12.758 0.458 0.900 235 HG11 VAL 26 HG11 VAL 26 -12.974 0.337 3.386 236 HG12 VAL 26 HG12 VAL 26 -11.546 1.204 2.837 237 HG13 VAL 26 HG13 VAL 26 -11.385 -0.438 3.446 238 HG21 VAL 26 HG21 VAL 26 -10.328 -1.292 1.351 239 HG22 VAL 26 HG22 VAL 26 -10.269 0.413 0.913 240 HG23 VAL 26 HG23 VAL 26 -10.947 -0.773 -0.215 241 H SER 27 H SER 27 -14.411 -0.611 -0.486 242 HA SER 27 HA SER 27 -14.424 -2.909 -2.122 243 HB2 SER 27 HB2 SER 27 -14.472 -0.186 -3.405 244 HB3 SER 27 HB3 SER 27 -15.407 -1.607 -3.737 245 HG SER 27 HG SER 27 -16.132 -1.118 -1.309 246 H ARG 28 H ARG 28 -12.896 -3.772 -3.345 247 HA ARG 28 HA ARG 28 -10.234 -3.006 -3.017 248 HB2 ARG 28 HB2 ARG 28 -10.984 -5.302 -3.435 249 HB3 ARG 28 HB3 ARG 28 -11.404 -4.879 -5.102 250 HG2 ARG 28 HG2 ARG 28 -8.908 -4.204 -5.364 251 HG3 ARG 28 HG3 ARG 28 -8.760 -4.860 -3.740 252 HD2 ARG 28 HD2 ARG 28 -8.127 -6.549 -5.462 253 HD3 ARG 28 HD3 ARG 28 -9.429 -7.069 -4.395 254 HE ARG 28 HE ARG 28 -10.505 -5.846 -6.721 255 HH11 ARG 28 HH11 ARG 28 -8.772 -8.742 -5.729 256 HH12 ARG 28 HH12 ARG 28 -9.448 -9.721 -6.936 257 HH21 ARG 28 HH21 ARG 28 -11.434 -7.200 -8.338 258 HH22 ARG 28 HH22 ARG 28 -10.967 -8.834 -8.438 259 H GLN 29 H GLN 29 -12.373 -2.474 -5.743 260 HA GLN 29 HA GLN 29 -10.481 -1.456 -7.539 261 HB2 GLN 29 HB2 GLN 29 -12.374 -0.229 -8.571 262 HB3 GLN 29 HB3 GLN 29 -12.680 -1.948 -8.350 263 HG2 GLN 29 HG2 GLN 29 -14.032 -1.553 -6.389 264 HG3 GLN 29 HG3 GLN 29 -13.585 0.142 -6.327 265 HE21 GLN 29 HE21 GLN 29 -13.927 0.810 -9.106 266 HE22 GLN 29 HE22 GLN 29 -15.560 0.647 -9.491 267 H THR 30 H THR 30 -12.313 0.165 -4.965 268 HA THR 30 HA THR 30 -11.688 2.757 -5.729 269 HB THR 30 HB THR 30 -12.157 3.140 -3.135 270 HG1 THR 30 HG1 THR 30 -12.123 0.705 -2.829 271 HG21 THR 30 HG21 THR 30 -14.584 3.125 -3.745 272 HG22 THR 30 HG22 THR 30 -14.167 2.327 -5.257 273 HG23 THR 30 HG23 THR 30 -13.579 3.952 -4.918 274 H ILE 31 H ILE 31 -9.958 0.650 -3.454 275 HA ILE 31 HA ILE 31 -8.168 2.675 -2.651 276 HB ILE 31 HB ILE 31 -8.464 0.481 -1.473 277 HG12 ILE 31 HG12 ILE 31 -6.004 0.156 -1.022 278 HG13 ILE 31 HG13 ILE 31 -5.666 1.307 -2.294 279 HG21 ILE 31 HG21 ILE 31 -8.444 -1.139 -3.200 280 HG22 ILE 31 HG22 ILE 31 -6.962 -1.372 -2.315 281 HG23 ILE 31 HG23 ILE 31 -6.904 -0.583 -3.873 282 HD11 ILE 31 HD11 ILE 31 -6.589 3.110 -1.145 283 HD12 ILE 31 HD12 ILE 31 -5.854 2.192 0.169 284 HD13 ILE 31 HD13 ILE 31 -7.594 2.079 -0.117 285 H ASN 32 H ASN 32 -8.147 0.362 -5.253 286 HA ASN 32 HA ASN 32 -5.554 0.904 -6.260 287 HB2 ASN 32 HB2 ASN 32 -6.855 -1.059 -6.973 288 HB3 ASN 32 HB3 ASN 32 -8.034 -0.003 -7.739 289 HD21 ASN 32 HD21 ASN 32 -4.483 -0.645 -7.813 290 HD22 ASN 32 HD22 ASN 32 -4.354 -0.338 -9.464 291 H GLY 33 H GLY 33 -8.731 2.309 -6.928 292 HA2 GLY 33 HA2 GLY 33 -7.798 4.187 -8.889 293 HA3 GLY 33 HA3 GLY 33 -9.334 4.262 -8.004 294 H ILE 34 H ILE 34 -8.542 4.363 -5.411 295 HA ILE 34 HA ILE 34 -7.897 7.036 -5.238 296 HB ILE 34 HB ILE 34 -8.530 4.935 -3.248 297 HG12 ILE 34 HG12 ILE 34 -10.078 6.932 -2.559 298 HG13 ILE 34 HG13 ILE 34 -9.448 7.694 -4.001 299 HG21 ILE 34 HG21 ILE 34 -7.502 7.593 -2.234 300 HG22 ILE 34 HG22 ILE 34 -6.494 6.135 -2.265 301 HG23 ILE 34 HG23 ILE 34 -7.983 6.158 -1.357 302 HD11 ILE 34 HD11 ILE 34 -10.219 5.849 -5.395 303 HD12 ILE 34 HD12 ILE 34 -11.540 6.583 -4.489 304 HD13 ILE 34 HD13 ILE 34 -10.878 5.042 -3.948 305 H GLU 35 H GLU 35 -5.810 4.253 -4.613 306 HA GLU 35 HA GLU 35 -3.605 5.891 -3.827 307 HB2 GLU 35 HB2 GLU 35 -4.004 3.053 -4.354 308 HB3 GLU 35 HB3 GLU 35 -2.557 3.628 -5.158 309 HG2 GLU 35 HG2 GLU 35 -2.777 4.734 -2.473 310 HG3 GLU 35 HG3 GLU 35 -2.798 2.988 -2.434 311 H LYS 36 H LYS 36 -5.220 5.268 -6.729 312 HA LYS 36 HA LYS 36 -3.066 6.194 -8.409 313 HB2 LYS 36 HB2 LYS 36 -4.602 4.372 -9.174 314 HB3 LYS 36 HB3 LYS 36 -5.895 5.578 -9.256 315 HG2 LYS 36 HG2 LYS 36 -4.341 6.937 -10.840 316 HG3 LYS 36 HG3 LYS 36 -3.307 5.556 -10.822 317 HD2 LYS 36 HD2 LYS 36 -4.693 5.317 -12.761 318 HD3 LYS 36 HD3 LYS 36 -5.205 4.109 -11.602 319 HE2 LYS 36 HE2 LYS 36 -6.941 5.751 -12.830 320 HE3 LYS 36 HE3 LYS 36 -7.230 5.129 -11.202 321 HZ1 LYS 36 HZ1 LYS 36 -6.178 7.803 -11.975 322 HZ2 LYS 36 HZ2 LYS 36 -6.073 7.281 -10.374 323 HZ3 LYS 36 HZ3 LYS 36 -7.559 7.441 -11.097 324 H ASN 37 H ASN 37 -3.499 8.144 -6.663 325 HA ASN 37 HA ASN 37 -3.260 10.438 -7.210 326 HB2 ASN 37 HB2 ASN 37 -4.283 9.987 -9.510 327 HB3 ASN 37 HB3 ASN 37 -5.820 10.374 -8.709 328 HD21 ASN 37 HD21 ASN 37 -2.516 11.750 -9.153 329 HD22 ASN 37 HD22 ASN 37 -3.021 13.363 -9.162 330 H LYS 38 H LYS 38 -5.402 8.808 -5.331 331 HA LYS 38 HA LYS 38 -6.709 11.327 -4.528 332 HB2 LYS 38 HB2 LYS 38 -7.456 8.489 -4.160 333 HB3 LYS 38 HB3 LYS 38 -7.775 9.546 -2.792 334 HG2 LYS 38 HG2 LYS 38 -9.748 9.675 -4.141 335 HG3 LYS 38 HG3 LYS 38 -8.856 11.163 -4.429 336 HD2 LYS 38 HD2 LYS 38 -7.905 10.272 -6.490 337 HD3 LYS 38 HD3 LYS 38 -8.635 8.709 -6.209 338 HE2 LYS 38 HE2 LYS 38 -9.826 10.133 -7.824 339 HE3 LYS 38 HE3 LYS 38 -10.861 9.584 -6.491 340 HZ1 LYS 38 HZ1 LYS 38 -9.523 12.257 -6.718 341 HZ2 LYS 38 HZ2 LYS 38 -10.560 11.773 -5.455 342 HZ3 LYS 38 HZ3 LYS 38 -11.132 11.917 -7.030 343 H TYR 39 H TYR 39 -5.104 8.519 -3.065 344 HA TYR 39 HA TYR 39 -3.180 10.027 -1.718 345 HB2 TYR 39 HB2 TYR 39 -3.919 9.575 0.653 346 HB3 TYR 39 HB3 TYR 39 -4.823 10.825 -0.171 347 HD1 TYR 39 HD1 TYR 39 -4.895 7.362 1.120 348 HD2 TYR 39 HD2 TYR 39 -7.181 10.444 -0.824 349 HE1 TYR 39 HE1 TYR 39 -6.967 6.127 1.584 350 HE2 TYR 39 HE2 TYR 39 -9.242 9.208 -0.364 351 HH TYR 39 HH TYR 39 -9.767 6.582 0.068 352 H ASN 40 H ASN 40 -1.879 8.708 -0.210 353 HA ASN 40 HA ASN 40 -1.714 5.939 -1.092 354 HB2 ASN 40 HB2 ASN 40 0.372 7.248 -0.710 355 HB3 ASN 40 HB3 ASN 40 -0.083 7.455 0.980 356 HD21 ASN 40 HD21 ASN 40 0.146 4.699 -1.360 357 HD22 ASN 40 HD22 ASN 40 0.936 3.675 -0.250 358 HA PRO 41 HA PRO 41 -4.562 4.474 1.897 359 HB2 PRO 41 HB2 PRO 41 -2.583 2.465 2.805 360 HB3 PRO 41 HB3 PRO 41 -4.203 2.231 2.140 361 HG2 PRO 41 HG2 PRO 41 -1.708 2.064 0.780 362 HG3 PRO 41 HG3 PRO 41 -3.312 1.808 0.109 363 HD2 PRO 41 HD2 PRO 41 -1.712 3.886 -0.670 364 HD3 PRO 41 HD3 PRO 41 -3.489 3.948 -0.702 365 H SER 42 H SER 42 -4.946 5.417 3.847 366 HA SER 42 HA SER 42 -3.014 6.832 5.217 367 HB2 SER 42 HB2 SER 42 -5.618 5.917 6.446 368 HB3 SER 42 HB3 SER 42 -4.708 7.388 6.753 369 HG SER 42 HG SER 42 -5.121 7.997 4.582 370 H LEU 43 H LEU 43 -1.954 6.469 7.168 371 HA LEU 43 HA LEU 43 -1.052 3.876 7.500 372 HB2 LEU 43 HB2 LEU 43 -0.827 6.191 9.423 373 HB3 LEU 43 HB3 LEU 43 0.113 4.699 9.551 374 HG LEU 43 HG LEU 43 0.146 6.643 7.212 375 HD11 LEU 43 HD11 LEU 43 1.457 6.967 9.554 376 HD12 LEU 43 HD12 LEU 43 2.040 7.521 7.981 377 HD13 LEU 43 HD13 LEU 43 2.616 5.991 8.641 378 HD21 LEU 43 HD21 LEU 43 0.715 4.779 6.044 379 HD22 LEU 43 HD22 LEU 43 1.068 3.830 7.482 380 HD23 LEU 43 HD23 LEU 43 2.271 4.944 6.839 381 H GLN 44 H GLN 44 -3.660 5.478 9.097 382 HA GLN 44 HA GLN 44 -4.127 3.685 11.218 383 HB2 GLN 44 HB2 GLN 44 -6.081 5.222 9.485 384 HB3 GLN 44 HB3 GLN 44 -6.547 4.350 10.932 385 HG2 GLN 44 HG2 GLN 44 -5.057 5.757 12.299 386 HG3 GLN 44 HG3 GLN 44 -4.494 6.593 10.859 387 HE21 GLN 44 HE21 GLN 44 -5.571 8.327 12.574 388 HE22 GLN 44 HE22 GLN 44 -7.160 8.758 12.183 389 H LEU 45 H LEU 45 -5.320 3.619 7.852 390 HA LEU 45 HA LEU 45 -6.343 0.916 8.215 391 HB2 LEU 45 HB2 LEU 45 -7.166 1.087 5.880 392 HB3 LEU 45 HB3 LEU 45 -7.752 2.378 6.901 393 HG LEU 45 HG LEU 45 -5.584 3.655 5.977 394 HD11 LEU 45 HD11 LEU 45 -5.893 1.303 4.186 395 HD12 LEU 45 HD12 LEU 45 -4.488 2.309 4.500 396 HD13 LEU 45 HD13 LEU 45 -5.738 2.864 3.390 397 HD21 LEU 45 HD21 LEU 45 -8.310 3.283 4.764 398 HD22 LEU 45 HD22 LEU 45 -7.130 4.268 3.911 399 HD23 LEU 45 HD23 LEU 45 -7.620 4.700 5.537 400 H ALA 46 H ALA 46 -3.587 2.485 6.809 401 HA ALA 46 HA ALA 46 -2.771 0.622 5.012 402 HB1 ALA 46 HB1 ALA 46 -1.651 2.890 5.536 403 HB2 ALA 46 HB2 ALA 46 -0.631 1.559 5.054 404 HB3 ALA 46 HB3 ALA 46 -0.752 1.985 6.759 405 H LEU 47 H LEU 47 -2.598 0.434 8.469 406 HA LEU 47 HA LEU 47 -0.627 -1.569 8.743 407 HB2 LEU 47 HB2 LEU 47 -3.014 -0.825 10.420 408 HB3 LEU 47 HB3 LEU 47 -1.978 -2.179 10.852 409 HG LEU 47 HG LEU 47 -0.834 0.585 10.326 410 HD11 LEU 47 HD11 LEU 47 -2.261 0.986 12.163 411 HD12 LEU 47 HD12 LEU 47 -0.710 0.612 12.897 412 HD13 LEU 47 HD13 LEU 47 -1.979 -0.618 12.850 413 HD21 LEU 47 HD21 LEU 47 0.643 -1.511 10.299 414 HD22 LEU 47 HD22 LEU 47 0.177 -1.744 11.980 415 HD23 LEU 47 HD23 LEU 47 1.062 -0.307 11.536 416 H LYS 48 H LYS 48 -4.107 -1.782 8.226 417 HA LYS 48 HA LYS 48 -4.307 -4.564 8.477 418 HB2 LYS 48 HB2 LYS 48 -6.161 -2.761 8.319 419 HB3 LYS 48 HB3 LYS 48 -6.051 -3.004 6.576 420 HG2 LYS 48 HG2 LYS 48 -6.550 -5.392 6.839 421 HG3 LYS 48 HG3 LYS 48 -6.536 -5.230 8.593 422 HD2 LYS 48 HD2 LYS 48 -8.376 -3.569 8.424 423 HD3 LYS 48 HD3 LYS 48 -8.524 -3.886 6.708 424 HE2 LYS 48 HE2 LYS 48 -8.891 -5.909 8.938 425 HE3 LYS 48 HE3 LYS 48 -10.159 -5.202 7.927 426 HZ1 LYS 48 HZ1 LYS 48 -8.677 -6.276 5.973 427 HZ2 LYS 48 HZ2 LYS 48 -9.805 -7.133 6.885 428 HZ3 LYS 48 HZ3 LYS 48 -8.209 -7.286 7.274 429 H ILE 49 H ILE 49 -3.846 -2.549 5.596 430 HA ILE 49 HA ILE 49 -3.572 -4.773 3.829 431 HB ILE 49 HB ILE 49 -4.313 -2.574 3.039 432 HG12 ILE 49 HG12 ILE 49 -1.666 -3.317 1.752 433 HG13 ILE 49 HG13 ILE 49 -3.165 -4.199 1.483 434 HG21 ILE 49 HG21 ILE 49 -1.474 -1.667 3.556 435 HG22 ILE 49 HG22 ILE 49 -2.919 -1.241 4.489 436 HG23 ILE 49 HG23 ILE 49 -2.778 -0.728 2.808 437 HD11 ILE 49 HD11 ILE 49 -2.302 -1.704 0.301 438 HD12 ILE 49 HD12 ILE 49 -3.855 -1.496 1.105 439 HD13 ILE 49 HD13 ILE 49 -3.669 -2.722 -0.148 440 H ALA 50 H ALA 50 -1.285 -2.654 5.488 441 HA ALA 50 HA ALA 50 1.068 -3.597 4.318 442 HB1 ALA 50 HB1 ALA 50 0.451 -2.274 6.939 443 HB2 ALA 50 HB2 ALA 50 1.330 -1.635 5.546 444 HB3 ALA 50 HB3 ALA 50 2.080 -2.826 6.594 445 H TYR 51 H TYR 51 -0.734 -4.754 7.116 446 HA TYR 51 HA TYR 51 1.139 -6.603 8.067 447 HB2 TYR 51 HB2 TYR 51 -0.834 -6.002 9.354 448 HB3 TYR 51 HB3 TYR 51 -1.884 -6.682 8.126 449 HD1 TYR 51 HD1 TYR 51 0.839 -7.586 10.548 450 HD2 TYR 51 HD2 TYR 51 -2.469 -8.969 8.152 451 HE1 TYR 51 HE1 TYR 51 0.948 -9.800 11.647 452 HE2 TYR 51 HE2 TYR 51 -2.342 -11.173 9.247 453 HH TYR 51 HH TYR 51 -0.736 -12.530 10.453 454 H TYR 52 H TYR 52 -1.528 -7.079 5.771 455 HA TYR 52 HA TYR 52 -0.782 -9.782 5.160 456 HB2 TYR 52 HB2 TYR 52 -2.661 -7.906 3.727 457 HB3 TYR 52 HB3 TYR 52 -2.469 -9.619 3.357 458 HD1 TYR 52 HD1 TYR 52 -2.718 -11.298 5.361 459 HD2 TYR 52 HD2 TYR 52 -4.220 -7.285 5.374 460 HE1 TYR 52 HE1 TYR 52 -4.278 -11.889 7.171 461 HE2 TYR 52 HE2 TYR 52 -5.782 -7.852 7.172 462 HH TYR 52 HH TYR 52 -5.512 -10.719 8.989 463 H LEU 53 H LEU 53 -0.243 -6.657 3.670 464 HA LEU 53 HA LEU 53 0.674 -7.609 1.212 465 HB2 LEU 53 HB2 LEU 53 -0.142 -5.320 1.530 466 HB3 LEU 53 HB3 LEU 53 1.249 -4.946 2.532 467 HG LEU 53 HG LEU 53 2.766 -5.297 0.637 468 HD11 LEU 53 HD11 LEU 53 0.341 -6.497 -0.569 469 HD12 LEU 53 HD12 LEU 53 2.043 -6.848 -0.839 470 HD13 LEU 53 HD13 LEU 53 1.305 -5.490 -1.650 471 HD21 LEU 53 HD21 LEU 53 2.005 -3.073 0.758 472 HD22 LEU 53 HD22 LEU 53 0.401 -3.490 0.149 473 HD23 LEU 53 HD23 LEU 53 1.812 -3.532 -0.922 474 H ASN 54 H ASN 54 2.209 -8.278 3.976 475 HA ASN 54 HA ASN 54 4.369 -9.012 4.439 476 HB2 ASN 54 HB2 ASN 54 4.609 -8.856 1.428 477 HB3 ASN 54 HB3 ASN 54 5.875 -9.384 2.501 478 HD21 ASN 54 HD21 ASN 54 3.140 -10.502 0.770 479 HD22 ASN 54 HD22 ASN 54 2.948 -11.981 1.558 480 H THR 55 H THR 55 3.749 -6.243 4.540 481 HA THR 55 HA THR 55 6.421 -5.216 4.406 482 HB THR 55 HB THR 55 4.501 -4.764 2.401 483 HG1 THR 55 HG1 THR 55 6.941 -3.330 2.595 484 HG21 THR 55 HG21 THR 55 3.597 -2.838 3.467 485 HG22 THR 55 HG22 THR 55 4.724 -2.203 2.277 486 HG23 THR 55 HG23 THR 55 5.184 -2.267 3.972 487 HA PRO 56 HA PRO 56 4.516 -3.863 8.282 488 HB2 PRO 56 HB2 PRO 56 7.131 -2.469 8.531 489 HB3 PRO 56 HB3 PRO 56 6.260 -3.501 9.683 490 HG2 PRO 56 HG2 PRO 56 8.358 -4.394 8.311 491 HG3 PRO 56 HG3 PRO 56 6.989 -5.435 8.768 492 HD2 PRO 56 HD2 PRO 56 7.760 -4.456 6.074 493 HD3 PRO 56 HD3 PRO 56 6.767 -5.844 6.554 494 H LEU 57 H LEU 57 3.827 -1.897 9.179 495 HA LEU 57 HA LEU 57 3.127 0.226 7.465 496 HB2 LEU 57 HB2 LEU 57 2.267 -0.452 9.828 497 HB3 LEU 57 HB3 LEU 57 3.557 0.552 10.458 498 HG LEU 57 HG LEU 57 1.529 1.878 10.329 499 HD11 LEU 57 HD11 LEU 57 3.029 2.850 7.927 500 HD12 LEU 57 HD12 LEU 57 3.833 2.809 9.499 501 HD13 LEU 57 HD13 LEU 57 2.365 3.750 9.285 502 HD21 LEU 57 HD21 LEU 57 1.358 1.649 7.350 503 HD22 LEU 57 HD22 LEU 57 0.099 1.943 8.550 504 HD23 LEU 57 HD23 LEU 57 0.721 0.314 8.322 505 H GLU 58 H GLU 58 5.797 -0.364 9.689 506 HA GLU 58 HA GLU 58 7.136 2.134 9.364 507 HB2 GLU 58 HB2 GLU 58 8.183 -0.587 10.190 508 HB3 GLU 58 HB3 GLU 58 9.100 0.909 10.237 509 HG2 GLU 58 HG2 GLU 58 7.492 1.923 11.772 510 HG3 GLU 58 HG3 GLU 58 6.486 0.481 11.709 511 H ASP 59 H ASP 59 6.951 -0.805 7.437 512 HA ASP 59 HA ASP 59 9.352 -0.394 5.956 513 HB2 ASP 59 HB2 ASP 59 8.293 -2.580 6.009 514 HB3 ASP 59 HB3 ASP 59 6.856 -1.946 5.185 515 H ILE 60 H ILE 60 6.057 0.661 5.638 516 HA ILE 60 HA ILE 60 6.669 2.063 3.129 517 HB ILE 60 HB ILE 60 4.308 2.660 3.070 518 HG12 ILE 60 HG12 ILE 60 4.024 1.070 5.643 519 HG13 ILE 60 HG13 ILE 60 3.947 2.841 5.569 520 HG21 ILE 60 HG21 ILE 60 5.205 0.325 2.358 521 HG22 ILE 60 HG22 ILE 60 3.458 0.523 2.601 522 HG23 ILE 60 HG23 ILE 60 4.429 -0.233 3.848 523 HD11 ILE 60 HD11 ILE 60 2.135 2.376 3.736 524 HD12 ILE 60 HD12 ILE 60 1.717 2.295 5.445 525 HD13 ILE 60 HD13 ILE 60 2.016 0.807 4.533 526 H PHE 61 H PHE 61 5.612 2.791 6.439 527 HA PHE 61 HA PHE 61 5.649 5.583 6.075 528 HB2 PHE 61 HB2 PHE 61 4.441 4.583 7.937 529 HB3 PHE 61 HB3 PHE 61 5.963 4.053 8.669 530 HD1 PHE 61 HD1 PHE 61 4.335 7.138 7.320 531 HD2 PHE 61 HD2 PHE 61 7.056 5.482 10.194 532 HE1 PHE 61 HE1 PHE 61 4.632 9.347 8.302 533 HE2 PHE 61 HE2 PHE 61 7.363 7.734 11.191 534 HZ PHE 61 HZ PHE 61 6.151 9.667 10.249 535 H GLN 62 H GLN 62 8.125 3.358 7.311 536 HA GLN 62 HA GLN 62 10.330 3.639 7.751 537 HB2 GLN 62 HB2 GLN 62 10.060 5.880 5.697 538 HB3 GLN 62 HB3 GLN 62 11.573 5.229 6.334 539 HG2 GLN 62 HG2 GLN 62 9.480 3.560 4.930 540 HG3 GLN 62 HG3 GLN 62 10.863 4.260 4.107 541 HE21 GLN 62 HE21 GLN 62 10.067 1.345 4.942 542 HE22 GLN 62 HE22 GLN 62 11.487 0.730 5.641 543 H TRP 63 H TRP 63 10.286 6.994 7.083 544 HA TRP 63 HA TRP 63 9.658 7.788 9.794 545 HB2 TRP 63 HB2 TRP 63 12.149 9.139 9.187 546 HB3 TRP 63 HB3 TRP 63 11.771 8.084 10.526 547 HD1 TRP 63 HD1 TRP 63 13.440 8.126 7.117 548 HE1 TRP 63 HE1 TRP 63 14.724 5.902 6.802 549 HE3 TRP 63 HE3 TRP 63 11.782 5.539 11.188 550 HZ2 TRP 63 HZ2 TRP 63 15.010 3.378 8.096 551 HZ3 TRP 63 HZ3 TRP 63 12.583 3.235 11.624 552 HH2 TRP 63 HH2 TRP 63 14.188 2.155 10.080 553 H GLN 64 H GLN 64 8.016 8.403 7.931 554 HA GLN 64 HA GLN 64 8.816 10.983 6.726 555 HB2 GLN 64 HB2 GLN 64 6.610 9.078 5.938 556 HB3 GLN 64 HB3 GLN 64 7.004 10.593 5.125 557 HG2 GLN 64 HG2 GLN 64 8.839 8.192 5.403 558 HG3 GLN 64 HG3 GLN 64 8.020 8.738 3.949 559 HE21 GLN 64 HE21 GLN 64 11.040 8.742 5.136 560 HE22 GLN 64 HE22 GLN 64 11.592 10.243 4.600 561 HA PRO 65 HA PRO 65 5.752 12.463 9.945 562 HB2 PRO 65 HB2 PRO 65 7.555 14.801 9.443 563 HB3 PRO 65 HB3 PRO 65 6.852 14.215 10.952 564 HG2 PRO 65 HG2 PRO 65 9.400 13.770 10.467 565 HG3 PRO 65 HG3 PRO 65 8.399 12.499 11.190 566 HD2 PRO 65 HD2 PRO 65 9.396 12.672 8.369 567 HD3 PRO 65 HD3 PRO 65 9.152 11.263 9.438 568 H GLU 66 H GLU 66 7.296 13.794 7.103 569 HA GLU 66 HA GLU 66 4.774 14.458 5.834 570 HB2 GLU 66 HB2 GLU 66 6.881 16.601 6.337 571 HB3 GLU 66 HB3 GLU 66 5.527 16.727 5.231 572 HG2 GLU 66 HG2 GLU 66 3.924 16.543 6.975 573 HG3 GLU 66 HG3 GLU 66 5.171 16.185 8.173 Start of MODEL 15 1 H1 MET 1 H1 MET 1 15.889 6.217 -7.579 2 HA MET 1 HA MET 1 13.766 6.837 -8.676 3 HB2 MET 1 HB2 MET 1 13.236 3.907 -8.154 4 HB3 MET 1 HB3 MET 1 11.956 5.050 -8.549 5 HG2 MET 1 HG2 MET 1 13.112 5.681 -10.614 6 HG3 MET 1 HG3 MET 1 14.395 4.527 -10.288 7 HE1 MET 1 HE1 MET 1 12.919 1.841 -9.268 8 HE2 MET 1 HE2 MET 1 14.314 2.222 -10.296 9 HE3 MET 1 HE3 MET 1 13.049 1.162 -10.895 10 H ILE 2 H ILE 2 11.522 5.610 -6.976 11 HA ILE 2 HA ILE 2 12.278 6.968 -4.468 12 HB ILE 2 HB ILE 2 10.104 8.056 -4.410 13 HG12 ILE 2 HG12 ILE 2 9.715 6.977 -7.225 14 HG13 ILE 2 HG13 ILE 2 8.899 6.311 -5.806 15 HG21 ILE 2 HG21 ILE 2 12.120 9.101 -5.566 16 HG22 ILE 2 HG22 ILE 2 10.551 9.727 -6.049 17 HG23 ILE 2 HG23 ILE 2 11.397 8.583 -7.094 18 HD11 ILE 2 HD11 ILE 2 7.423 7.901 -6.891 19 HD12 ILE 2 HD12 ILE 2 8.674 9.142 -6.856 20 HD13 ILE 2 HD13 ILE 2 7.954 8.585 -5.348 21 H ILE 3 H ILE 3 10.926 6.585 -2.671 22 HA ILE 3 HA ILE 3 9.674 3.899 -2.596 23 HB ILE 3 HB ILE 3 10.375 3.858 -0.173 24 HG12 ILE 3 HG12 ILE 3 12.037 6.263 -0.998 25 HG13 ILE 3 HG13 ILE 3 10.640 6.318 0.097 26 HG21 ILE 3 HG21 ILE 3 12.397 2.994 -0.552 27 HG22 ILE 3 HG22 ILE 3 12.875 4.183 -1.763 28 HG23 ILE 3 HG23 ILE 3 11.732 2.890 -2.180 29 HD11 ILE 3 HD11 ILE 3 12.157 5.992 1.743 30 HD12 ILE 3 HD12 ILE 3 13.393 5.519 0.588 31 HD13 ILE 3 HD13 ILE 3 12.258 4.314 1.170 32 H ASN 4 H ASN 4 8.904 4.533 0.228 33 HA ASN 4 HA ASN 4 7.257 5.445 1.453 34 HB2 ASN 4 HB2 ASN 4 8.372 7.599 0.650 35 HB3 ASN 4 HB3 ASN 4 7.057 7.692 -0.524 36 HD21 ASN 4 HD21 ASN 4 7.492 7.166 2.992 37 HD22 ASN 4 HD22 ASN 4 6.125 8.019 3.482 38 H ASN 5 H ASN 5 6.551 5.532 -2.009 39 HA ASN 5 HA ASN 5 3.725 5.464 -1.452 40 HB2 ASN 5 HB2 ASN 5 4.782 6.494 -3.563 41 HB3 ASN 5 HB3 ASN 5 4.844 4.841 -4.166 42 HD21 ASN 5 HD21 ASN 5 3.128 7.082 -5.128 43 HD22 ASN 5 HD22 ASN 5 1.537 6.563 -4.942 44 H LEU 6 H LEU 6 2.313 3.863 -1.678 45 HA LEU 6 HA LEU 6 3.095 1.320 -0.792 46 HB2 LEU 6 HB2 LEU 6 0.748 2.551 -0.779 47 HB3 LEU 6 HB3 LEU 6 0.501 1.676 -2.277 48 HG LEU 6 HG LEU 6 -0.387 0.343 -0.453 49 HD11 LEU 6 HD11 LEU 6 2.163 -1.088 -0.897 50 HD12 LEU 6 HD12 LEU 6 1.199 -0.682 -2.328 51 HD13 LEU 6 HD13 LEU 6 0.501 -1.655 -1.023 52 HD21 LEU 6 HD21 LEU 6 2.227 -0.125 0.822 53 HD22 LEU 6 HD22 LEU 6 0.637 0.034 1.561 54 HD23 LEU 6 HD23 LEU 6 1.556 1.480 1.104 55 H LYS 7 H LYS 7 2.312 2.530 -4.010 56 HA LYS 7 HA LYS 7 2.189 0.144 -5.490 57 HB2 LYS 7 HB2 LYS 7 3.766 2.133 -6.920 58 HB3 LYS 7 HB3 LYS 7 2.218 1.496 -7.320 59 HG2 LYS 7 HG2 LYS 7 2.725 3.717 -5.333 60 HG3 LYS 7 HG3 LYS 7 2.179 3.921 -6.985 61 HD2 LYS 7 HD2 LYS 7 0.131 2.472 -6.396 62 HD3 LYS 7 HD3 LYS 7 0.698 2.608 -4.707 63 HE2 LYS 7 HE2 LYS 7 0.474 5.007 -4.756 64 HE3 LYS 7 HE3 LYS 7 0.051 4.968 -6.460 65 HZ1 LYS 7 HZ1 LYS 7 -1.851 5.009 -4.620 66 HZ2 LYS 7 HZ2 LYS 7 -1.591 3.315 -4.677 67 HZ3 LYS 7 HZ3 LYS 7 -1.961 4.208 -6.089 68 H LEU 8 H LEU 8 4.882 2.144 -4.611 69 HA LEU 8 HA LEU 8 6.814 0.803 -6.036 70 HB2 LEU 8 HB2 LEU 8 6.903 2.754 -3.760 71 HB3 LEU 8 HB3 LEU 8 8.387 1.990 -4.300 72 HG LEU 8 HG LEU 8 8.010 4.144 -5.477 73 HD11 LEU 8 HD11 LEU 8 7.597 2.128 -7.623 74 HD12 LEU 8 HD12 LEU 8 8.984 1.907 -6.559 75 HD13 LEU 8 HD13 LEU 8 8.792 3.405 -7.465 76 HD21 LEU 8 HD21 LEU 8 5.348 3.710 -5.514 77 HD22 LEU 8 HD22 LEU 8 5.752 2.913 -7.032 78 HD23 LEU 8 HD23 LEU 8 6.135 4.600 -6.788 79 H ILE 9 H ILE 9 5.725 0.432 -2.724 80 HA ILE 9 HA ILE 9 7.711 -1.441 -1.924 81 HB ILE 9 HB ILE 9 4.893 -1.156 -0.832 82 HG12 ILE 9 HG12 ILE 9 6.103 1.025 -0.776 83 HG13 ILE 9 HG13 ILE 9 5.940 0.364 0.838 84 HG21 ILE 9 HG21 ILE 9 7.121 -2.878 -0.181 85 HG22 ILE 9 HG22 ILE 9 5.511 -2.850 0.535 86 HG23 ILE 9 HG23 ILE 9 6.786 -1.800 1.162 87 HD11 ILE 9 HD11 ILE 9 8.399 0.527 -0.863 88 HD12 ILE 9 HD12 ILE 9 8.292 -0.716 0.390 89 HD13 ILE 9 HD13 ILE 9 8.162 0.976 0.824 90 H ARG 10 H ARG 10 4.452 -1.845 -3.272 91 HA ARG 10 HA ARG 10 4.274 -4.636 -2.979 92 HB2 ARG 10 HB2 ARG 10 2.987 -2.731 -4.885 93 HB3 ARG 10 HB3 ARG 10 2.646 -4.470 -4.966 94 HG2 ARG 10 HG2 ARG 10 1.992 -4.336 -2.569 95 HG3 ARG 10 HG3 ARG 10 2.199 -2.576 -2.649 96 HD2 ARG 10 HD2 ARG 10 0.386 -4.184 -4.474 97 HD3 ARG 10 HD3 ARG 10 -0.199 -3.357 -3.048 98 HE ARG 10 HE ARG 10 0.954 -2.072 -5.468 99 HH11 ARG 10 HH11 ARG 10 -1.027 -1.943 -2.555 100 HH12 ARG 10 HH12 ARG 10 -1.590 -0.355 -2.864 101 HH21 ARG 10 HH21 ARG 10 0.146 0.124 -5.828 102 HH22 ARG 10 HH22 ARG 10 -0.916 0.811 -4.675 103 H GLU 11 H GLU 11 5.455 -2.757 -5.719 104 HA GLU 11 HA GLU 11 5.766 -4.903 -7.457 105 HB2 GLU 11 HB2 GLU 11 7.475 -3.423 -8.640 106 HB3 GLU 11 HB3 GLU 11 5.877 -2.725 -8.388 107 HG2 GLU 11 HG2 GLU 11 6.652 -1.494 -6.457 108 HG3 GLU 11 HG3 GLU 11 8.246 -2.257 -6.566 109 H LYS 12 H LYS 12 7.960 -3.705 -4.999 110 HA LYS 12 HA LYS 12 10.252 -5.115 -5.778 111 HB2 LYS 12 HB2 LYS 12 9.433 -4.495 -2.928 112 HB3 LYS 12 HB3 LYS 12 11.065 -4.765 -3.532 113 HG2 LYS 12 HG2 LYS 12 9.210 -2.505 -4.196 114 HG3 LYS 12 HG3 LYS 12 10.720 -2.383 -3.302 115 HD2 LYS 12 HD2 LYS 12 11.965 -3.152 -5.270 116 HD3 LYS 12 HD3 LYS 12 10.501 -3.204 -6.242 117 HE2 LYS 12 HE2 LYS 12 11.875 -0.804 -5.053 118 HE3 LYS 12 HE3 LYS 12 11.528 -1.197 -6.742 119 HZ1 LYS 12 HZ1 LYS 12 9.443 -0.402 -6.622 120 HZ2 LYS 12 HZ2 LYS 12 10.011 0.420 -5.286 121 HZ3 LYS 12 HZ3 LYS 12 9.120 -0.988 -5.065 122 H LYS 13 H LYS 13 7.663 -6.013 -3.555 123 HA LYS 13 HA LYS 13 8.821 -8.660 -3.232 124 HB2 LYS 13 HB2 LYS 13 7.092 -9.012 -1.524 125 HB3 LYS 13 HB3 LYS 13 8.091 -7.598 -1.216 126 HG2 LYS 13 HG2 LYS 13 6.339 -6.118 -2.115 127 HG3 LYS 13 HG3 LYS 13 5.330 -7.498 -2.517 128 HD2 LYS 13 HD2 LYS 13 4.427 -7.225 -0.467 129 HD3 LYS 13 HD3 LYS 13 5.909 -7.903 0.183 130 HE2 LYS 13 HE2 LYS 13 5.370 -4.959 -0.286 131 HE3 LYS 13 HE3 LYS 13 5.405 -5.724 1.240 132 HZ1 LYS 13 HZ1 LYS 13 7.688 -4.841 -0.271 133 HZ2 LYS 13 HZ2 LYS 13 7.860 -6.450 0.264 134 HZ3 LYS 13 HZ3 LYS 13 7.455 -5.272 1.339 135 H LYS 14 H LYS 14 6.912 -7.354 -5.470 136 HA LYS 14 HA LYS 14 5.754 -8.262 -7.210 137 HB2 LYS 14 HB2 LYS 14 6.305 -10.995 -6.099 138 HB3 LYS 14 HB3 LYS 14 6.079 -10.541 -7.773 139 HG2 LYS 14 HG2 LYS 14 8.493 -9.889 -6.014 140 HG3 LYS 14 HG3 LYS 14 8.440 -10.939 -7.411 141 HD2 LYS 14 HD2 LYS 14 7.526 -8.180 -8.070 142 HD3 LYS 14 HD3 LYS 14 9.120 -8.261 -7.415 143 HE2 LYS 14 HE2 LYS 14 9.311 -8.525 -9.791 144 HE3 LYS 14 HE3 LYS 14 9.768 -10.034 -9.020 145 HZ1 LYS 14 HZ1 LYS 14 7.527 -9.431 -10.716 146 HZ2 LYS 14 HZ2 LYS 14 7.082 -10.314 -9.376 147 HZ3 LYS 14 HZ3 LYS 14 8.234 -10.937 -10.430 148 H ILE 15 H ILE 15 4.496 -7.968 -4.388 149 HA ILE 15 HA ILE 15 2.259 -9.811 -4.725 150 HB ILE 15 HB ILE 15 3.036 -7.915 -2.498 151 HG12 ILE 15 HG12 ILE 15 2.653 -9.982 -1.159 152 HG13 ILE 15 HG13 ILE 15 2.173 -10.826 -2.619 153 HG21 ILE 15 HG21 ILE 15 0.706 -7.392 -2.728 154 HG22 ILE 15 HG22 ILE 15 0.832 -8.591 -1.437 155 HG23 ILE 15 HG23 ILE 15 0.306 -9.083 -3.034 156 HD11 ILE 15 HD11 ILE 15 4.319 -10.986 -3.415 157 HD12 ILE 15 HD12 ILE 15 4.685 -10.921 -1.691 158 HD13 ILE 15 HD13 ILE 15 4.822 -9.465 -2.684 159 H SER 16 H SER 16 0.492 -9.290 -5.805 160 HA SER 16 HA SER 16 0.158 -6.687 -6.976 161 HB2 SER 16 HB2 SER 16 -1.854 -8.942 -6.889 162 HB3 SER 16 HB3 SER 16 -1.760 -7.630 -8.036 163 HG SER 16 HG SER 16 -0.875 -9.756 -8.628 164 H GLN 17 H GLN 17 -1.326 -5.130 -6.388 165 HA GLN 17 HA GLN 17 -2.108 -4.875 -3.688 166 HB2 GLN 17 HB2 GLN 17 -3.963 -3.304 -4.830 167 HB3 GLN 17 HB3 GLN 17 -2.290 -2.791 -4.725 168 HG2 GLN 17 HG2 GLN 17 -3.231 -4.374 -7.121 169 HG3 GLN 17 HG3 GLN 17 -3.512 -2.652 -7.019 170 HE21 GLN 17 HE21 GLN 17 -1.642 -1.213 -6.981 171 HE22 GLN 17 HE22 GLN 17 -0.122 -1.776 -7.455 172 H SER 18 H SER 18 -3.804 -6.137 -6.489 173 HA SER 18 HA SER 18 -6.334 -6.536 -5.526 174 HB2 SER 18 HB2 SER 18 -6.085 -8.675 -7.085 175 HB3 SER 18 HB3 SER 18 -6.195 -7.060 -7.728 176 HG SER 18 HG SER 18 -4.278 -8.741 -8.103 177 H GLU 19 H GLU 19 -3.413 -8.289 -4.732 178 HA GLU 19 HA GLU 19 -4.581 -10.612 -3.658 179 HB2 GLU 19 HB2 GLU 19 -2.139 -10.295 -4.132 180 HB3 GLU 19 HB3 GLU 19 -2.050 -9.174 -2.792 181 HG2 GLU 19 HG2 GLU 19 -1.293 -11.259 -1.933 182 HG3 GLU 19 HG3 GLU 19 -2.923 -11.077 -1.309 183 H LEU 20 H LEU 20 -3.385 -7.703 -2.019 184 HA LEU 20 HA LEU 20 -4.854 -8.311 0.430 185 HB2 LEU 20 HB2 LEU 20 -3.353 -5.757 -0.080 186 HB3 LEU 20 HB3 LEU 20 -3.754 -6.516 1.447 187 HG LEU 20 HG LEU 20 -1.533 -7.143 1.280 188 HD11 LEU 20 HD11 LEU 20 -2.515 -9.358 -0.479 189 HD12 LEU 20 HD12 LEU 20 -3.141 -9.230 1.168 190 HD13 LEU 20 HD13 LEU 20 -1.415 -9.433 0.875 191 HD21 LEU 20 HD21 LEU 20 -1.788 -6.324 -1.413 192 HD22 LEU 20 HD22 LEU 20 -1.282 -8.018 -1.470 193 HD23 LEU 20 HD23 LEU 20 -0.344 -6.862 -0.564 194 H ALA 21 H ALA 21 -5.233 -6.306 -2.320 195 HA ALA 21 HA ALA 21 -6.378 -4.070 -1.590 196 HB1 ALA 21 HB1 ALA 21 -6.145 -4.830 -3.939 197 HB2 ALA 21 HB2 ALA 21 -7.622 -3.958 -3.633 198 HB3 ALA 21 HB3 ALA 21 -7.647 -5.730 -3.758 199 H ALA 22 H ALA 22 -8.304 -7.017 -1.792 200 HA ALA 22 HA ALA 22 -10.736 -5.876 -0.864 201 HB1 ALA 22 HB1 ALA 22 -11.115 -7.921 -1.852 202 HB2 ALA 22 HB2 ALA 22 -11.148 -8.395 -0.154 203 HB3 ALA 22 HB3 ALA 22 -9.694 -8.651 -1.109 204 H LEU 23 H LEU 23 -7.948 -7.083 0.816 205 HA LEU 23 HA LEU 23 -9.129 -7.680 3.275 206 HB2 LEU 23 HB2 LEU 23 -6.269 -7.272 2.454 207 HB3 LEU 23 HB3 LEU 23 -6.681 -7.376 4.144 208 HG LEU 23 HG LEU 23 -6.120 -9.603 3.230 209 HD11 LEU 23 HD11 LEU 23 -7.683 -10.685 4.478 210 HD12 LEU 23 HD12 LEU 23 -9.035 -9.815 3.764 211 HD13 LEU 23 HD13 LEU 23 -8.054 -9.047 5.005 212 HD21 LEU 23 HD21 LEU 23 -7.439 -10.668 1.568 213 HD22 LEU 23 HD22 LEU 23 -7.112 -9.070 0.906 214 HD23 LEU 23 HD23 LEU 23 -8.689 -9.439 1.625 215 H LEU 24 H LEU 24 -7.932 -4.593 2.151 216 HA LEU 24 HA LEU 24 -7.555 -3.486 4.719 217 HB2 LEU 24 HB2 LEU 24 -8.146 -1.265 3.175 218 HB3 LEU 24 HB3 LEU 24 -6.548 -1.955 3.398 219 HG LEU 24 HG LEU 24 -8.409 -2.978 1.232 220 HD11 LEU 24 HD11 LEU 24 -7.925 -1.376 -0.183 221 HD12 LEU 24 HD12 LEU 24 -6.294 -1.111 0.436 222 HD13 LEU 24 HD13 LEU 24 -7.664 -0.352 1.234 223 HD21 LEU 24 HD21 LEU 24 -6.137 -4.125 2.057 224 HD22 LEU 24 HD22 LEU 24 -5.422 -2.842 1.049 225 HD23 LEU 24 HD23 LEU 24 -6.584 -3.973 0.366 226 H GLU 25 H GLU 25 -10.393 -4.416 3.366 227 HA GLU 25 HA GLU 25 -12.582 -4.112 3.866 228 HB2 GLU 25 HB2 GLU 25 -11.397 -3.078 6.464 229 HB3 GLU 25 HB3 GLU 25 -13.095 -3.463 6.193 230 HG2 GLU 25 HG2 GLU 25 -12.542 -5.786 5.623 231 HG3 GLU 25 HG3 GLU 25 -10.828 -5.428 5.780 232 H VAL 26 H VAL 26 -11.445 -2.178 2.307 233 HA VAL 26 HA VAL 26 -13.324 0.036 2.774 234 HB VAL 26 HB VAL 26 -11.771 1.539 1.560 235 HG11 VAL 26 HG11 VAL 26 -10.110 1.886 3.268 236 HG12 VAL 26 HG12 VAL 26 -10.358 0.272 3.930 237 HG13 VAL 26 HG13 VAL 26 -11.639 1.487 4.045 238 HG21 VAL 26 HG21 VAL 26 -9.835 -0.796 1.721 239 HG22 VAL 26 HG22 VAL 26 -9.440 0.835 1.175 240 HG23 VAL 26 HG23 VAL 26 -10.570 -0.150 0.246 241 H SER 27 H SER 27 -14.034 0.877 0.506 242 HA SER 27 HA SER 27 -14.724 -1.353 -1.080 243 HB2 SER 27 HB2 SER 27 -14.398 1.375 -2.280 244 HB3 SER 27 HB3 SER 27 -15.652 0.184 -2.576 245 HG SER 27 HG SER 27 -16.284 0.599 -0.302 246 H ARG 28 H ARG 28 -13.473 -2.483 -2.492 247 HA ARG 28 HA ARG 28 -10.746 -1.850 -2.804 248 HB2 ARG 28 HB2 ARG 28 -11.706 -4.176 -2.873 249 HB3 ARG 28 HB3 ARG 28 -12.274 -3.837 -4.531 250 HG2 ARG 28 HG2 ARG 28 -9.734 -3.199 -4.956 251 HG3 ARG 28 HG3 ARG 28 -9.555 -3.882 -3.370 252 HD2 ARG 28 HD2 ARG 28 -9.057 -5.611 -5.033 253 HD3 ARG 28 HD3 ARG 28 -10.450 -6.045 -4.039 254 HE ARG 28 HE ARG 28 -11.371 -4.724 -6.339 255 HH11 ARG 28 HH11 ARG 28 -9.704 -7.627 -5.420 256 HH12 ARG 28 HH12 ARG 28 -10.228 -8.556 -6.759 257 HH21 ARG 28 HH21 ARG 28 -12.114 -5.952 -8.156 258 HH22 ARG 28 HH22 ARG 28 -11.645 -7.579 -8.335 259 H GLN 29 H GLN 29 -13.526 -1.568 -4.873 260 HA GLN 29 HA GLN 29 -12.284 -0.815 -7.251 261 HB2 GLN 29 HB2 GLN 29 -14.422 0.372 -7.793 262 HB3 GLN 29 HB3 GLN 29 -14.651 -1.278 -7.235 263 HG2 GLN 29 HG2 GLN 29 -15.227 -0.503 -4.997 264 HG3 GLN 29 HG3 GLN 29 -14.857 1.147 -5.406 265 HE21 GLN 29 HE21 GLN 29 -16.490 2.372 -6.435 266 HE22 GLN 29 HE22 GLN 29 -17.986 1.729 -6.886 267 H THR 30 H THR 30 -13.272 1.198 -4.507 268 HA THR 30 HA THR 30 -12.535 3.705 -5.592 269 HB THR 30 HB THR 30 -12.393 2.946 -2.664 270 HG1 THR 30 HG1 THR 30 -14.605 3.373 -4.388 271 HG21 THR 30 HG21 THR 30 -13.351 5.320 -2.523 272 HG22 THR 30 HG22 THR 30 -12.884 5.495 -4.212 273 HG23 THR 30 HG23 THR 30 -11.667 5.164 -2.966 274 H ILE 31 H ILE 31 -10.851 1.335 -3.590 275 HA ILE 31 HA ILE 31 -8.353 2.625 -3.465 276 HB ILE 31 HB ILE 31 -9.423 -0.099 -3.044 277 HG12 ILE 31 HG12 ILE 31 -9.461 1.783 -1.344 278 HG13 ILE 31 HG13 ILE 31 -8.765 0.274 -0.789 279 HG21 ILE 31 HG21 ILE 31 -7.152 -0.907 -2.410 280 HG22 ILE 31 HG22 ILE 31 -6.469 0.470 -3.305 281 HG23 ILE 31 HG23 ILE 31 -7.472 -0.734 -4.128 282 HD11 ILE 31 HD11 ILE 31 -7.391 2.304 -0.180 283 HD12 ILE 31 HD12 ILE 31 -7.079 2.552 -1.901 284 HD13 ILE 31 HD13 ILE 31 -6.511 1.090 -1.101 285 H ASN 32 H ASN 32 -9.669 0.211 -5.667 286 HA ASN 32 HA ASN 32 -7.334 -0.158 -7.195 287 HB2 ASN 32 HB2 ASN 32 -10.246 -0.390 -7.994 288 HB3 ASN 32 HB3 ASN 32 -8.867 -0.858 -8.984 289 HD21 ASN 32 HD21 ASN 32 -7.384 -1.735 -6.396 290 HD22 ASN 32 HD22 ASN 32 -8.066 -3.244 -6.085 291 H GLY 33 H GLY 33 -9.979 2.141 -7.483 292 HA2 GLY 33 HA2 GLY 33 -8.841 3.454 -9.764 293 HA3 GLY 33 HA3 GLY 33 -10.162 4.073 -8.761 294 H ILE 34 H ILE 34 -8.990 4.117 -6.269 295 HA ILE 34 HA ILE 34 -7.540 6.478 -6.529 296 HB ILE 34 HB ILE 34 -8.716 5.032 -4.252 297 HG12 ILE 34 HG12 ILE 34 -9.341 7.486 -3.789 298 HG13 ILE 34 HG13 ILE 34 -8.458 7.861 -5.269 299 HG21 ILE 34 HG21 ILE 34 -7.551 6.318 -2.584 300 HG22 ILE 34 HG22 ILE 34 -6.412 6.922 -3.817 301 HG23 ILE 34 HG23 ILE 34 -6.464 5.208 -3.407 302 HD11 ILE 34 HD11 ILE 34 -10.793 5.936 -5.166 303 HD12 ILE 34 HD12 ILE 34 -9.908 6.467 -6.599 304 HD13 ILE 34 HD13 ILE 34 -10.875 7.620 -5.701 305 H GLU 35 H GLU 35 -6.377 3.296 -5.558 306 HA GLU 35 HA GLU 35 -3.776 4.307 -5.089 307 HB2 GLU 35 HB2 GLU 35 -4.934 1.580 -5.474 308 HB3 GLU 35 HB3 GLU 35 -3.209 1.774 -5.752 309 HG2 GLU 35 HG2 GLU 35 -3.878 3.200 -3.329 310 HG3 GLU 35 HG3 GLU 35 -4.589 1.614 -3.240 311 H LYS 36 H LYS 36 -5.662 3.796 -7.794 312 HA LYS 36 HA LYS 36 -3.490 3.707 -9.686 313 HB2 LYS 36 HB2 LYS 36 -5.609 2.600 -10.267 314 HB3 LYS 36 HB3 LYS 36 -6.429 4.162 -10.250 315 HG2 LYS 36 HG2 LYS 36 -4.238 4.666 -11.918 316 HG3 LYS 36 HG3 LYS 36 -4.562 3.018 -12.228 317 HD2 LYS 36 HD2 LYS 36 -6.452 3.407 -13.364 318 HD3 LYS 36 HD3 LYS 36 -7.092 4.543 -12.192 319 HE2 LYS 36 HE2 LYS 36 -4.969 5.169 -14.284 320 HE3 LYS 36 HE3 LYS 36 -6.642 5.663 -14.343 321 HZ1 LYS 36 HZ1 LYS 36 -4.710 7.160 -13.256 322 HZ2 LYS 36 HZ2 LYS 36 -5.263 6.391 -11.868 323 HZ3 LYS 36 HZ3 LYS 36 -6.311 7.299 -12.844 324 H ASN 37 H ASN 37 -2.935 5.736 -8.124 325 HA ASN 37 HA ASN 37 -1.804 7.587 -8.896 326 HB2 ASN 37 HB2 ASN 37 -2.940 7.375 -11.156 327 HB3 ASN 37 HB3 ASN 37 -4.164 8.458 -10.426 328 HD21 ASN 37 HD21 ASN 37 -3.442 10.066 -12.154 329 HD22 ASN 37 HD22 ASN 37 -2.062 11.001 -11.863 330 H LYS 38 H LYS 38 -4.493 7.316 -7.007 331 HA LYS 38 HA LYS 38 -4.727 10.241 -6.602 332 HB2 LYS 38 HB2 LYS 38 -6.567 7.982 -5.857 333 HB3 LYS 38 HB3 LYS 38 -6.723 9.608 -5.206 334 HG2 LYS 38 HG2 LYS 38 -8.138 9.768 -7.056 335 HG3 LYS 38 HG3 LYS 38 -6.639 10.388 -7.723 336 HD2 LYS 38 HD2 LYS 38 -6.185 7.896 -8.412 337 HD3 LYS 38 HD3 LYS 38 -7.906 7.681 -8.133 338 HE2 LYS 38 HE2 LYS 38 -6.790 9.822 -9.971 339 HE3 LYS 38 HE3 LYS 38 -7.344 8.254 -10.524 340 HZ1 LYS 38 HZ1 LYS 38 -9.201 9.791 -8.830 341 HZ2 LYS 38 HZ2 LYS 38 -9.522 8.805 -10.170 342 HZ3 LYS 38 HZ3 LYS 38 -8.910 10.368 -10.362 343 H TYR 39 H TYR 39 -4.584 7.273 -4.689 344 HA TYR 39 HA TYR 39 -2.889 8.704 -2.752 345 HB2 TYR 39 HB2 TYR 39 -5.378 7.183 -1.937 346 HB3 TYR 39 HB3 TYR 39 -4.255 7.954 -0.859 347 HD1 TYR 39 HD1 TYR 39 -3.831 10.556 -1.280 348 HD2 TYR 39 HD2 TYR 39 -7.281 8.378 -2.659 349 HE1 TYR 39 HE1 TYR 39 -5.103 12.651 -1.437 350 HE2 TYR 39 HE2 TYR 39 -8.537 10.451 -2.821 351 HH TYR 39 HH TYR 39 -7.009 13.580 -2.322 352 H ASN 40 H ASN 40 -2.867 6.904 -0.835 353 HA ASN 40 HA ASN 40 -2.181 4.277 -1.930 354 HB2 ASN 40 HB2 ASN 40 -0.422 4.093 -0.183 355 HB3 ASN 40 HB3 ASN 40 -0.038 5.379 -1.332 356 HD21 ASN 40 HD21 ASN 40 -1.203 4.750 2.034 357 HD22 ASN 40 HD22 ASN 40 -0.899 6.316 2.550 358 HA PRO 41 HA PRO 41 -5.014 2.957 1.167 359 HB2 PRO 41 HB2 PRO 41 -2.952 1.401 2.630 360 HB3 PRO 41 HB3 PRO 41 -4.501 0.872 1.936 361 HG2 PRO 41 HG2 PRO 41 -2.224 0.189 0.755 362 HG3 PRO 41 HG3 PRO 41 -3.615 0.664 -0.232 363 HD2 PRO 41 HD2 PRO 41 -1.212 2.312 0.510 364 HD3 PRO 41 HD3 PRO 41 -2.037 2.214 -1.059 365 H SER 42 H SER 42 -5.649 4.026 3.063 366 HA SER 42 HA SER 42 -3.917 5.891 4.273 367 HB2 SER 42 HB2 SER 42 -6.331 4.755 5.683 368 HB3 SER 42 HB3 SER 42 -5.695 6.388 5.655 369 HG SER 42 HG SER 42 -7.607 5.917 4.308 370 H LEU 43 H LEU 43 -2.946 5.749 6.364 371 HA LEU 43 HA LEU 43 -1.611 3.342 6.616 372 HB2 LEU 43 HB2 LEU 43 -1.860 5.520 8.691 373 HB3 LEU 43 HB3 LEU 43 -0.710 4.187 8.769 374 HG LEU 43 HG LEU 43 -0.853 6.386 6.694 375 HD11 LEU 43 HD11 LEU 43 1.689 5.638 7.928 376 HD12 LEU 43 HD12 LEU 43 0.506 6.353 9.036 377 HD13 LEU 43 HD13 LEU 43 1.024 7.231 7.590 378 HD21 LEU 43 HD21 LEU 43 -0.395 4.504 5.336 379 HD22 LEU 43 HD22 LEU 43 0.601 3.725 6.568 380 HD23 LEU 43 HD23 LEU 43 1.191 5.146 5.701 381 H GLN 44 H GLN 44 -4.492 4.454 8.203 382 HA GLN 44 HA GLN 44 -4.729 2.528 10.235 383 HB2 GLN 44 HB2 GLN 44 -6.947 3.747 8.564 384 HB3 GLN 44 HB3 GLN 44 -7.087 3.052 10.170 385 HG2 GLN 44 HG2 GLN 44 -6.760 5.159 10.927 386 HG3 GLN 44 HG3 GLN 44 -5.057 4.887 10.552 387 HE21 GLN 44 HE21 GLN 44 -6.577 7.454 10.402 388 HE22 GLN 44 HE22 GLN 44 -6.444 7.952 8.792 389 H LEU 45 H LEU 45 -5.947 2.416 6.853 390 HA LEU 45 HA LEU 45 -6.730 -0.361 7.114 391 HB2 LEU 45 HB2 LEU 45 -6.471 -0.059 4.401 392 HB3 LEU 45 HB3 LEU 45 -7.936 0.249 5.294 393 HG LEU 45 HG LEU 45 -5.908 2.457 5.024 394 HD11 LEU 45 HD11 LEU 45 -6.047 1.969 2.784 395 HD12 LEU 45 HD12 LEU 45 -7.401 3.098 2.958 396 HD13 LEU 45 HD13 LEU 45 -7.692 1.363 2.892 397 HD21 LEU 45 HD21 LEU 45 -8.900 2.215 5.366 398 HD22 LEU 45 HD22 LEU 45 -8.142 3.722 4.877 399 HD23 LEU 45 HD23 LEU 45 -7.755 3.010 6.448 400 H ALA 46 H ALA 46 -3.944 1.407 6.063 401 HA ALA 46 HA ALA 46 -2.595 -0.574 4.751 402 HB1 ALA 46 HB1 ALA 46 -0.578 0.656 5.089 403 HB2 ALA 46 HB2 ALA 46 -1.193 1.359 6.570 404 HB3 ALA 46 HB3 ALA 46 -1.881 1.844 4.998 405 H LEU 47 H LEU 47 -3.172 -0.168 8.148 406 HA LEU 47 HA LEU 47 -1.176 -1.898 9.174 407 HB2 LEU 47 HB2 LEU 47 -3.982 -1.318 10.160 408 HB3 LEU 47 HB3 LEU 47 -2.798 -2.270 11.053 409 HG LEU 47 HG LEU 47 -2.314 0.596 10.154 410 HD11 LEU 47 HD11 LEU 47 -2.598 1.123 12.580 411 HD12 LEU 47 HD12 LEU 47 -3.206 -0.508 12.824 412 HD13 LEU 47 HD13 LEU 47 -4.095 0.620 11.793 413 HD21 LEU 47 HD21 LEU 47 -0.211 -0.530 10.494 414 HD22 LEU 47 HD22 LEU 47 -0.810 -1.365 11.931 415 HD23 LEU 47 HD23 LEU 47 -0.524 0.371 11.965 416 H LYS 48 H LYS 48 -4.396 -2.470 7.871 417 HA LYS 48 HA LYS 48 -4.262 -5.322 8.192 418 HB2 LYS 48 HB2 LYS 48 -6.023 -3.568 6.461 419 HB3 LYS 48 HB3 LYS 48 -6.105 -5.322 6.477 420 HG2 LYS 48 HG2 LYS 48 -6.582 -5.350 8.873 421 HG3 LYS 48 HG3 LYS 48 -6.432 -3.596 8.954 422 HD2 LYS 48 HD2 LYS 48 -8.414 -3.218 7.817 423 HD3 LYS 48 HD3 LYS 48 -8.426 -4.771 7.004 424 HE2 LYS 48 HE2 LYS 48 -8.681 -4.590 10.016 425 HE3 LYS 48 HE3 LYS 48 -10.080 -4.395 8.972 426 HZ1 LYS 48 HZ1 LYS 48 -10.134 -6.551 8.488 427 HZ2 LYS 48 HZ2 LYS 48 -9.139 -6.807 9.817 428 HZ3 LYS 48 HZ3 LYS 48 -8.452 -6.702 8.299 429 H ILE 49 H ILE 49 -3.599 -3.054 5.552 430 HA ILE 49 HA ILE 49 -3.055 -5.124 3.707 431 HB ILE 49 HB ILE 49 -3.598 -2.554 3.306 432 HG12 ILE 49 HG12 ILE 49 -1.840 -4.260 1.507 433 HG13 ILE 49 HG13 ILE 49 -3.602 -4.282 1.581 434 HG21 ILE 49 HG21 ILE 49 -1.170 -2.000 4.246 435 HG22 ILE 49 HG22 ILE 49 -1.762 -1.175 2.799 436 HG23 ILE 49 HG23 ILE 49 -0.670 -2.518 2.644 437 HD11 ILE 49 HD11 ILE 49 -3.003 -2.918 -0.307 438 HD12 ILE 49 HD12 ILE 49 -1.849 -1.993 0.647 439 HD13 ILE 49 HD13 ILE 49 -3.574 -1.824 0.948 440 H ALA 50 H ALA 50 -0.886 -3.206 5.731 441 HA ALA 50 HA ALA 50 1.525 -3.918 4.567 442 HB1 ALA 50 HB1 ALA 50 2.432 -3.527 6.983 443 HB2 ALA 50 HB2 ALA 50 0.775 -3.041 7.312 444 HB3 ALA 50 HB3 ALA 50 1.718 -2.219 6.040 445 H TYR 51 H TYR 51 -0.102 -5.506 7.265 446 HA TYR 51 HA TYR 51 1.869 -7.470 7.717 447 HB2 TYR 51 HB2 TYR 51 -1.073 -7.339 8.353 448 HB3 TYR 51 HB3 TYR 51 -0.135 -8.794 8.687 449 HD1 TYR 51 HD1 TYR 51 0.013 -5.063 9.216 450 HD2 TYR 51 HD2 TYR 51 1.083 -8.970 10.685 451 HE1 TYR 51 HE1 TYR 51 0.948 -4.041 11.255 452 HE2 TYR 51 HE2 TYR 51 2.026 -7.938 12.718 453 HH TYR 51 HH TYR 51 1.809 -4.414 13.299 454 H TYR 52 H TYR 52 -1.027 -7.515 5.688 455 HA TYR 52 HA TYR 52 -0.442 -10.096 4.601 456 HB2 TYR 52 HB2 TYR 52 -2.336 -7.898 3.716 457 HB3 TYR 52 HB3 TYR 52 -2.054 -9.375 2.795 458 HD1 TYR 52 HD1 TYR 52 -2.365 -11.639 3.917 459 HD2 TYR 52 HD2 TYR 52 -3.816 -7.969 5.614 460 HE1 TYR 52 HE1 TYR 52 -3.892 -12.907 5.370 461 HE2 TYR 52 HE2 TYR 52 -5.340 -9.234 7.074 462 HH TYR 52 HH TYR 52 -5.064 -12.646 7.441 463 H LEU 53 H LEU 53 0.534 -6.852 3.894 464 HA LEU 53 HA LEU 53 1.631 -7.456 1.320 465 HB2 LEU 53 HB2 LEU 53 1.722 -5.099 3.114 466 HB3 LEU 53 HB3 LEU 53 2.975 -5.242 1.904 467 HG LEU 53 HG LEU 53 0.013 -5.426 1.254 468 HD11 LEU 53 HD11 LEU 53 0.010 -3.143 0.829 469 HD12 LEU 53 HD12 LEU 53 1.733 -3.117 0.470 470 HD13 LEU 53 HD13 LEU 53 1.190 -3.161 2.143 471 HD21 LEU 53 HD21 LEU 53 2.447 -4.929 -0.486 472 HD22 LEU 53 HD22 LEU 53 0.806 -5.176 -1.034 473 HD23 LEU 53 HD23 LEU 53 1.720 -6.516 -0.340 474 H ASN 54 H ASN 54 2.618 -8.488 4.293 475 HA ASN 54 HA ASN 54 4.648 -9.415 4.967 476 HB2 ASN 54 HB2 ASN 54 4.896 -9.237 1.998 477 HB3 ASN 54 HB3 ASN 54 6.300 -9.668 2.867 478 HD21 ASN 54 HD21 ASN 54 2.966 -10.671 2.108 479 HD22 ASN 54 HD22 ASN 54 3.134 -12.278 2.612 480 H THR 55 H THR 55 4.270 -6.480 5.005 481 HA THR 55 HA THR 55 7.070 -5.738 5.017 482 HB THR 55 HB THR 55 5.115 -5.036 3.003 483 HG1 THR 55 HG1 THR 55 7.615 -5.775 3.197 484 HG21 THR 55 HG21 THR 55 6.946 -2.800 3.938 485 HG22 THR 55 HG22 THR 55 5.212 -2.854 4.259 486 HG23 THR 55 HG23 THR 55 5.763 -2.753 2.619 487 HA PRO 56 HA PRO 56 5.806 -3.393 8.630 488 HB2 PRO 56 HB2 PRO 56 8.037 -1.564 7.967 489 HB3 PRO 56 HB3 PRO 56 7.748 -2.538 9.421 490 HG2 PRO 56 HG2 PRO 56 9.638 -3.205 7.693 491 HG3 PRO 56 HG3 PRO 56 8.685 -4.440 8.527 492 HD2 PRO 56 HD2 PRO 56 8.466 -3.513 5.689 493 HD3 PRO 56 HD3 PRO 56 8.258 -5.137 6.405 494 H LEU 57 H LEU 57 4.707 -1.492 9.131 495 HA LEU 57 HA LEU 57 3.568 0.144 7.077 496 HB2 LEU 57 HB2 LEU 57 3.401 -0.021 9.973 497 HB3 LEU 57 HB3 LEU 57 3.525 1.646 9.470 498 HG LEU 57 HG LEU 57 1.180 0.781 9.628 499 HD11 LEU 57 HD11 LEU 57 0.833 1.495 7.005 500 HD12 LEU 57 HD12 LEU 57 2.410 2.178 7.352 501 HD13 LEU 57 HD13 LEU 57 1.019 2.598 8.357 502 HD21 LEU 57 HD21 LEU 57 1.068 -0.474 7.053 503 HD22 LEU 57 HD22 LEU 57 0.601 -1.145 8.596 504 HD23 LEU 57 HD23 LEU 57 2.253 -1.349 8.000 505 H GLU 58 H GLU 58 6.272 0.503 9.315 506 HA GLU 58 HA GLU 58 6.894 3.150 8.738 507 HB2 GLU 58 HB2 GLU 58 8.711 0.874 9.565 508 HB3 GLU 58 HB3 GLU 58 9.089 2.581 9.659 509 HG2 GLU 58 HG2 GLU 58 8.339 2.164 11.831 510 HG3 GLU 58 HG3 GLU 58 6.888 2.777 11.070 511 H ASP 59 H ASP 59 7.478 0.179 7.016 512 HA ASP 59 HA ASP 59 9.575 1.247 5.314 513 HB2 ASP 59 HB2 ASP 59 9.136 -1.258 5.904 514 HB3 ASP 59 HB3 ASP 59 7.928 -1.156 4.628 515 H ILE 60 H ILE 60 6.092 0.971 5.123 516 HA ILE 60 HA ILE 60 6.137 2.064 2.414 517 HB ILE 60 HB ILE 60 3.708 2.025 2.530 518 HG12 ILE 60 HG12 ILE 60 4.022 0.945 5.341 519 HG13 ILE 60 HG13 ILE 60 3.511 2.608 4.981 520 HG21 ILE 60 HG21 ILE 60 3.672 -0.561 3.530 521 HG22 ILE 60 HG22 ILE 60 5.356 -0.358 3.084 522 HG23 ILE 60 HG23 ILE 60 4.073 -0.115 1.874 523 HD11 ILE 60 HD11 ILE 60 1.396 1.807 4.906 524 HD12 ILE 60 HD12 ILE 60 1.981 0.143 4.965 525 HD13 ILE 60 HD13 ILE 60 1.851 0.966 3.416 526 H PHE 61 H PHE 61 5.470 3.007 5.716 527 HA PHE 61 HA PHE 61 4.689 5.666 5.203 528 HB2 PHE 61 HB2 PHE 61 4.328 4.512 7.373 529 HB3 PHE 61 HB3 PHE 61 6.063 4.569 7.660 530 HD1 PHE 61 HD1 PHE 61 3.193 6.817 6.799 531 HD2 PHE 61 HD2 PHE 61 6.968 6.405 8.793 532 HE1 PHE 61 HE1 PHE 61 2.959 9.109 7.708 533 HE2 PHE 61 HE2 PHE 61 6.737 8.699 9.700 534 HZ PHE 61 HZ PHE 61 4.715 10.053 9.150 535 H GLN 62 H GLN 62 7.845 4.185 5.810 536 HA GLN 62 HA GLN 62 9.519 6.079 6.328 537 HB2 GLN 62 HB2 GLN 62 11.285 4.937 5.232 538 HB3 GLN 62 HB3 GLN 62 10.127 3.676 5.527 539 HG2 GLN 62 HG2 GLN 62 9.270 4.059 3.146 540 HG3 GLN 62 HG3 GLN 62 10.634 5.152 2.956 541 HE21 GLN 62 HE21 GLN 62 9.742 1.887 2.765 542 HE22 GLN 62 HE22 GLN 62 11.283 1.193 2.658 543 H TRP 63 H TRP 63 10.021 8.016 5.801 544 HA TRP 63 HA TRP 63 9.192 9.236 3.283 545 HB2 TRP 63 HB2 TRP 63 10.952 10.432 5.423 546 HB3 TRP 63 HB3 TRP 63 10.014 11.301 4.213 547 HD1 TRP 63 HD1 TRP 63 7.430 9.202 4.842 548 HE1 TRP 63 HE1 TRP 63 5.973 9.778 6.882 549 HE3 TRP 63 HE3 TRP 63 10.645 12.274 7.342 550 HZ2 TRP 63 HZ2 TRP 63 6.163 11.382 9.282 551 HZ3 TRP 63 HZ3 TRP 63 9.988 13.306 9.486 552 HH2 TRP 63 HH2 TRP 63 7.743 12.860 10.456 553 H GLN 64 H GLN 64 10.795 10.206 1.840 554 HA GLN 64 HA GLN 64 13.171 8.504 1.754 555 HB2 GLN 64 HB2 GLN 64 13.044 9.952 -0.681 556 HB3 GLN 64 HB3 GLN 64 12.707 8.260 -0.390 557 HG2 GLN 64 HG2 GLN 64 10.323 9.178 0.394 558 HG3 GLN 64 HG3 GLN 64 10.779 10.540 -0.646 559 HE21 GLN 64 HE21 GLN 64 8.610 9.043 -1.421 560 HE22 GLN 64 HE22 GLN 64 9.000 8.070 -2.744 561 HA PRO 65 HA PRO 65 15.159 12.541 2.919 562 HB2 PRO 65 HB2 PRO 65 17.076 11.416 4.494 563 HB3 PRO 65 HB3 PRO 65 15.472 11.882 5.113 564 HG2 PRO 65 HG2 PRO 65 16.477 9.175 4.348 565 HG3 PRO 65 HG3 PRO 65 15.459 9.685 5.701 566 HD2 PRO 65 HD2 PRO 65 14.384 8.528 3.514 567 HD3 PRO 65 HD3 PRO 65 13.528 9.752 4.475 568 H GLU 66 H GLU 66 16.069 9.412 1.760 569 HA GLU 66 HA GLU 66 18.380 10.488 0.296 570 HB2 GLU 66 HB2 GLU 66 19.039 7.896 0.366 571 HB3 GLU 66 HB3 GLU 66 19.481 8.995 1.667 572 HG2 GLU 66 HG2 GLU 66 17.090 8.221 2.643 573 HG3 GLU 66 HG3 GLU 66 17.429 6.850 1.573 Start of MODEL 16 1 H1 MET 1 H1 MET 1 15.544 9.233 -3.692 2 HA MET 1 HA MET 1 13.768 7.030 -4.056 3 HB2 MET 1 HB2 MET 1 16.329 6.518 -2.533 4 HB3 MET 1 HB3 MET 1 14.906 5.487 -2.460 5 HG2 MET 1 HG2 MET 1 16.485 6.140 -4.964 6 HG3 MET 1 HG3 MET 1 16.530 4.619 -4.083 7 HE1 MET 1 HE1 MET 1 14.719 3.411 -3.368 8 HE2 MET 1 HE2 MET 1 13.763 2.652 -4.650 9 HE3 MET 1 HE3 MET 1 13.042 3.862 -3.607 10 H ILE 2 H ILE 2 13.167 9.472 -3.174 11 HA ILE 2 HA ILE 2 13.322 9.599 -0.291 12 HB ILE 2 HB ILE 2 11.747 11.257 -2.278 13 HG12 ILE 2 HG12 ILE 2 14.256 11.950 -0.703 14 HG13 ILE 2 HG13 ILE 2 14.284 11.397 -2.374 15 HG21 ILE 2 HG21 ILE 2 10.588 11.719 -0.330 16 HG22 ILE 2 HG22 ILE 2 11.917 12.846 -0.122 17 HG23 ILE 2 HG23 ILE 2 11.940 11.305 0.726 18 HD11 ILE 2 HD11 ILE 2 13.261 13.978 -1.252 19 HD12 ILE 2 HD12 ILE 2 12.567 13.364 -2.759 20 HD13 ILE 2 HD13 ILE 2 14.298 13.695 -2.643 21 H ILE 3 H ILE 3 12.359 7.803 0.467 22 HA ILE 3 HA ILE 3 10.749 6.362 1.142 23 HB ILE 3 HB ILE 3 8.816 8.606 0.483 24 HG12 ILE 3 HG12 ILE 3 10.395 7.984 3.005 25 HG13 ILE 3 HG13 ILE 3 10.570 9.399 1.974 26 HG21 ILE 3 HG21 ILE 3 7.681 7.367 2.565 27 HG22 ILE 3 HG22 ILE 3 8.547 5.994 1.954 28 HG23 ILE 3 HG23 ILE 3 7.400 6.843 0.922 29 HD11 ILE 3 HD11 ILE 3 8.439 8.764 3.934 30 HD12 ILE 3 HD12 ILE 3 7.936 9.600 2.472 31 HD13 ILE 3 HD13 ILE 3 9.140 10.339 3.521 32 H ASN 4 H ASN 4 8.926 5.029 0.418 33 HA ASN 4 HA ASN 4 8.621 5.067 -2.521 34 HB2 ASN 4 HB2 ASN 4 9.165 2.757 -0.690 35 HB3 ASN 4 HB3 ASN 4 8.254 2.499 -2.155 36 HD21 ASN 4 HD21 ASN 4 11.347 2.235 -1.088 37 HD22 ASN 4 HD22 ASN 4 12.195 2.583 -2.512 38 H ASN 5 H ASN 5 6.647 4.965 -3.301 39 HA ASN 5 HA ASN 5 4.426 5.324 -1.561 40 HB2 ASN 5 HB2 ASN 5 4.645 6.137 -3.996 41 HB3 ASN 5 HB3 ASN 5 4.248 4.495 -4.458 42 HD21 ASN 5 HD21 ASN 5 2.867 7.496 -3.582 43 HD22 ASN 5 HD22 ASN 5 1.285 6.947 -3.340 44 H LEU 6 H LEU 6 2.443 3.855 -1.874 45 HA LEU 6 HA LEU 6 3.027 1.297 -0.845 46 HB2 LEU 6 HB2 LEU 6 0.804 2.696 -0.801 47 HB3 LEU 6 HB3 LEU 6 0.469 1.909 -2.334 48 HG LEU 6 HG LEU 6 -0.566 0.635 -0.559 49 HD11 LEU 6 HD11 LEU 6 0.686 -0.549 -2.484 50 HD12 LEU 6 HD12 LEU 6 0.207 -1.495 -1.080 51 HD13 LEU 6 HD13 LEU 6 1.876 -0.972 -1.250 52 HD21 LEU 6 HD21 LEU 6 0.454 -0.013 1.410 53 HD22 LEU 6 HD22 LEU 6 1.302 1.500 1.144 54 HD23 LEU 6 HD23 LEU 6 2.074 -0.026 0.730 55 H LYS 7 H LYS 7 2.278 2.458 -4.103 56 HA LYS 7 HA LYS 7 2.180 -0.035 -5.443 57 HB2 LYS 7 HB2 LYS 7 3.657 1.899 -7.049 58 HB3 LYS 7 HB3 LYS 7 2.095 1.191 -7.328 59 HG2 LYS 7 HG2 LYS 7 2.577 3.563 -5.515 60 HG3 LYS 7 HG3 LYS 7 2.099 3.660 -7.198 61 HD2 LYS 7 HD2 LYS 7 0.048 2.292 -6.639 62 HD3 LYS 7 HD3 LYS 7 0.509 2.448 -4.928 63 HE2 LYS 7 HE2 LYS 7 0.427 4.871 -5.069 64 HE3 LYS 7 HE3 LYS 7 0.069 4.802 -6.779 65 HZ1 LYS 7 HZ1 LYS 7 -1.673 3.520 -4.750 66 HZ2 LYS 7 HZ2 LYS 7 -2.005 3.797 -6.384 67 HZ3 LYS 7 HZ3 LYS 7 -1.926 5.111 -5.348 68 H LEU 8 H LEU 8 4.799 2.187 -4.791 69 HA LEU 8 HA LEU 8 6.836 0.848 -6.104 70 HB2 LEU 8 HB2 LEU 8 6.790 2.895 -3.925 71 HB3 LEU 8 HB3 LEU 8 8.320 2.167 -4.399 72 HG LEU 8 HG LEU 8 7.684 4.316 -5.573 73 HD11 LEU 8 HD11 LEU 8 8.706 1.820 -6.774 74 HD12 LEU 8 HD12 LEU 8 9.386 3.448 -6.781 75 HD13 LEU 8 HD13 LEU 8 8.153 3.018 -7.936 76 HD21 LEU 8 HD21 LEU 8 5.249 3.735 -6.027 77 HD22 LEU 8 HD22 LEU 8 5.821 2.473 -7.130 78 HD23 LEU 8 HD23 LEU 8 6.146 4.162 -7.469 79 H ILE 9 H ILE 9 5.800 0.678 -2.725 80 HA ILE 9 HA ILE 9 7.834 -1.147 -1.893 81 HB ILE 9 HB ILE 9 5.014 -0.717 -0.821 82 HG12 ILE 9 HG12 ILE 9 6.406 1.337 -0.593 83 HG13 ILE 9 HG13 ILE 9 6.220 0.562 0.963 84 HG21 ILE 9 HG21 ILE 9 5.468 -2.661 0.298 85 HG22 ILE 9 HG22 ILE 9 6.542 -1.640 1.266 86 HG23 ILE 9 HG23 ILE 9 7.195 -2.569 -0.050 87 HD11 ILE 9 HD11 ILE 9 8.462 1.030 0.905 88 HD12 ILE 9 HD12 ILE 9 8.647 0.592 -0.792 89 HD13 ILE 9 HD13 ILE 9 8.425 -0.668 0.442 90 H ARG 10 H ARG 10 4.613 -1.458 -3.178 91 HA ARG 10 HA ARG 10 4.199 -4.177 -2.895 92 HB2 ARG 10 HB2 ARG 10 2.700 -2.127 -3.736 93 HB3 ARG 10 HB3 ARG 10 3.111 -2.804 -5.300 94 HG2 ARG 10 HG2 ARG 10 2.235 -4.722 -3.202 95 HG3 ARG 10 HG3 ARG 10 1.022 -3.609 -3.848 96 HD2 ARG 10 HD2 ARG 10 2.746 -5.530 -5.433 97 HD3 ARG 10 HD3 ARG 10 1.010 -5.629 -5.135 98 HE ARG 10 HE ARG 10 1.599 -3.151 -6.403 99 HH11 ARG 10 HH11 ARG 10 1.513 -6.581 -6.941 100 HH12 ARG 10 HH12 ARG 10 1.182 -6.461 -8.616 101 HH21 ARG 10 HH21 ARG 10 1.204 -2.945 -8.634 102 HH22 ARG 10 HH22 ARG 10 1.017 -4.349 -9.597 103 H GLU 11 H GLU 11 5.627 -2.435 -5.679 104 HA GLU 11 HA GLU 11 5.738 -4.560 -7.488 105 HB2 GLU 11 HB2 GLU 11 8.190 -3.018 -7.701 106 HB3 GLU 11 HB3 GLU 11 6.857 -3.094 -8.822 107 HG2 GLU 11 HG2 GLU 11 5.666 -1.383 -7.467 108 HG3 GLU 11 HG3 GLU 11 7.008 -1.369 -6.358 109 H LYS 12 H LYS 12 8.010 -3.613 -5.072 110 HA LYS 12 HA LYS 12 10.172 -5.087 -5.921 111 HB2 LYS 12 HB2 LYS 12 9.647 -4.492 -3.007 112 HB3 LYS 12 HB3 LYS 12 11.191 -4.588 -3.845 113 HG2 LYS 12 HG2 LYS 12 9.055 -2.510 -4.344 114 HG3 LYS 12 HG3 LYS 12 10.605 -2.236 -3.566 115 HD2 LYS 12 HD2 LYS 12 11.780 -2.786 -5.579 116 HD3 LYS 12 HD3 LYS 12 10.278 -3.199 -6.438 117 HE2 LYS 12 HE2 LYS 12 9.494 -0.860 -5.942 118 HE3 LYS 12 HE3 LYS 12 11.120 -0.531 -5.340 119 HZ1 LYS 12 HZ1 LYS 12 11.609 -0.028 -7.475 120 HZ2 LYS 12 HZ2 LYS 12 10.110 -0.667 -7.950 121 HZ3 LYS 12 HZ3 LYS 12 11.467 -1.700 -7.814 122 H LYS 13 H LYS 13 7.704 -5.977 -3.627 123 HA LYS 13 HA LYS 13 8.887 -8.570 -3.107 124 HB2 LYS 13 HB2 LYS 13 6.875 -8.880 -1.640 125 HB3 LYS 13 HB3 LYS 13 7.868 -7.479 -1.263 126 HG2 LYS 13 HG2 LYS 13 6.340 -5.977 -2.395 127 HG3 LYS 13 HG3 LYS 13 5.373 -7.318 -2.987 128 HD2 LYS 13 HD2 LYS 13 4.116 -6.889 -1.135 129 HD3 LYS 13 HD3 LYS 13 5.330 -7.854 -0.310 130 HE2 LYS 13 HE2 LYS 13 5.838 -4.897 -0.648 131 HE3 LYS 13 HE3 LYS 13 4.669 -5.442 0.524 132 HZ1 LYS 13 HZ1 LYS 13 6.416 -6.856 1.559 133 HZ2 LYS 13 HZ2 LYS 13 6.813 -5.233 1.510 134 HZ3 LYS 13 HZ3 LYS 13 7.528 -6.295 0.425 135 H LYS 14 H LYS 14 6.812 -7.311 -5.434 136 HA LYS 14 HA LYS 14 5.692 -8.253 -7.194 137 HB2 LYS 14 HB2 LYS 14 6.778 -10.953 -6.388 138 HB3 LYS 14 HB3 LYS 14 6.303 -10.407 -7.976 139 HG2 LYS 14 HG2 LYS 14 8.716 -9.439 -6.397 140 HG3 LYS 14 HG3 LYS 14 8.726 -10.425 -7.857 141 HD2 LYS 14 HD2 LYS 14 7.285 -7.842 -8.256 142 HD3 LYS 14 HD3 LYS 14 8.918 -7.681 -7.683 143 HE2 LYS 14 HE2 LYS 14 9.396 -7.783 -9.878 144 HE3 LYS 14 HE3 LYS 14 9.460 -9.511 -9.549 145 HZ1 LYS 14 HZ1 LYS 14 6.912 -8.205 -10.370 146 HZ2 LYS 14 HZ2 LYS 14 7.381 -9.821 -10.520 147 HZ3 LYS 14 HZ3 LYS 14 8.085 -8.667 -11.497 148 H ILE 15 H ILE 15 4.486 -8.110 -4.550 149 HA ILE 15 HA ILE 15 2.606 -10.328 -4.448 150 HB ILE 15 HB ILE 15 2.996 -7.803 -2.829 151 HG12 ILE 15 HG12 ILE 15 3.173 -9.320 -0.981 152 HG13 ILE 15 HG13 ILE 15 2.456 -10.633 -1.889 153 HG21 ILE 15 HG21 ILE 15 0.543 -9.506 -2.907 154 HG22 ILE 15 HG22 ILE 15 0.619 -7.753 -3.168 155 HG23 ILE 15 HG23 ILE 15 0.914 -8.432 -1.565 156 HD11 ILE 15 HD11 ILE 15 4.418 -10.832 -3.306 157 HD12 ILE 15 HD12 ILE 15 4.946 -10.833 -1.627 158 HD13 ILE 15 HD13 ILE 15 5.120 -9.380 -2.606 159 H SER 16 H SER 16 0.521 -10.332 -5.269 160 HA SER 16 HA SER 16 0.034 -8.350 -7.332 161 HB2 SER 16 HB2 SER 16 -1.566 -9.771 -8.193 162 HB3 SER 16 HB3 SER 16 -0.512 -10.918 -7.406 163 HG SER 16 HG SER 16 -1.986 -10.982 -5.641 164 H GLN 17 H GLN 17 -2.197 -7.375 -7.493 165 HA GLN 17 HA GLN 17 -2.736 -5.827 -5.180 166 HB2 GLN 17 HB2 GLN 17 -4.444 -6.310 -7.652 167 HB3 GLN 17 HB3 GLN 17 -4.817 -5.157 -6.403 168 HG2 GLN 17 HG2 GLN 17 -2.671 -3.978 -6.806 169 HG3 GLN 17 HG3 GLN 17 -2.301 -5.137 -8.093 170 HE21 GLN 17 HE21 GLN 17 -2.635 -4.053 -10.044 171 HE22 GLN 17 HE22 GLN 17 -3.987 -3.097 -10.390 172 H SER 18 H SER 18 -3.832 -8.866 -6.386 173 HA SER 18 HA SER 18 -6.290 -9.181 -5.177 174 HB2 SER 18 HB2 SER 18 -4.422 -11.497 -5.223 175 HB3 SER 18 HB3 SER 18 -6.094 -11.387 -5.736 176 HG SER 18 HG SER 18 -3.715 -10.681 -7.003 177 H GLU 19 H GLU 19 -3.034 -9.830 -3.920 178 HA GLU 19 HA GLU 19 -3.758 -11.002 -1.470 179 HB2 GLU 19 HB2 GLU 19 -1.380 -9.471 -2.420 180 HB3 GLU 19 HB3 GLU 19 -1.452 -10.065 -0.762 181 HG2 GLU 19 HG2 GLU 19 -0.346 -11.780 -1.827 182 HG3 GLU 19 HG3 GLU 19 -1.974 -12.392 -1.902 183 H LEU 20 H LEU 20 -2.761 -7.768 -2.188 184 HA LEU 20 HA LEU 20 -3.243 -6.815 0.455 185 HB2 LEU 20 HB2 LEU 20 -2.474 -4.607 -0.508 186 HB3 LEU 20 HB3 LEU 20 -1.359 -5.965 -0.585 187 HG LEU 20 HG LEU 20 -2.420 -6.369 -2.990 188 HD11 LEU 20 HD11 LEU 20 -3.685 -3.902 -2.175 189 HD12 LEU 20 HD12 LEU 20 -3.965 -4.951 -3.565 190 HD13 LEU 20 HD13 LEU 20 -2.742 -3.699 -3.659 191 HD21 LEU 20 HD21 LEU 20 -0.073 -5.717 -2.635 192 HD22 LEU 20 HD22 LEU 20 -0.575 -4.033 -2.418 193 HD23 LEU 20 HD23 LEU 20 -0.789 -4.826 -3.973 194 H ALA 21 H ALA 21 -4.838 -6.133 -2.608 195 HA ALA 21 HA ALA 21 -6.083 -3.831 -1.868 196 HB1 ALA 21 HB1 ALA 21 -7.350 -5.733 -3.824 197 HB2 ALA 21 HB2 ALA 21 -5.898 -4.806 -4.171 198 HB3 ALA 21 HB3 ALA 21 -7.392 -3.964 -3.811 199 H ALA 22 H ALA 22 -7.605 -7.000 -1.625 200 HA ALA 22 HA ALA 22 -10.129 -6.056 -0.779 201 HB1 ALA 22 HB1 ALA 22 -10.572 -8.355 -0.034 202 HB2 ALA 22 HB2 ALA 22 -8.864 -8.745 -0.258 203 HB3 ALA 22 HB3 ALA 22 -9.862 -8.289 -1.646 204 H LEU 23 H LEU 23 -7.251 -6.642 1.020 205 HA LEU 23 HA LEU 23 -8.338 -7.230 3.494 206 HB2 LEU 23 HB2 LEU 23 -5.642 -6.268 2.639 207 HB3 LEU 23 HB3 LEU 23 -6.016 -6.330 4.346 208 HG LEU 23 HG LEU 23 -4.962 -8.417 3.372 209 HD11 LEU 23 HD11 LEU 23 -7.683 -8.843 4.630 210 HD12 LEU 23 HD12 LEU 23 -6.260 -8.325 5.523 211 HD13 LEU 23 HD13 LEU 23 -6.281 -9.903 4.730 212 HD21 LEU 23 HD21 LEU 23 -7.746 -8.918 2.235 213 HD22 LEU 23 HD22 LEU 23 -6.321 -9.942 2.131 214 HD23 LEU 23 HD23 LEU 23 -6.347 -8.429 1.256 215 H LEU 24 H LEU 24 -7.717 -4.063 2.202 216 HA LEU 24 HA LEU 24 -7.648 -2.707 4.672 217 HB2 LEU 24 HB2 LEU 24 -8.481 -0.734 2.969 218 HB3 LEU 24 HB3 LEU 24 -6.817 -1.218 3.225 219 HG LEU 24 HG LEU 24 -8.509 -2.662 1.136 220 HD11 LEU 24 HD11 LEU 24 -6.790 -0.594 0.127 221 HD12 LEU 24 HD12 LEU 24 -8.180 0.040 1.007 222 HD13 LEU 24 HD13 LEU 24 -8.407 -1.085 -0.352 223 HD21 LEU 24 HD21 LEU 24 -6.136 -3.482 1.885 224 HD22 LEU 24 HD22 LEU 24 -5.585 -1.971 1.148 225 HD23 LEU 24 HD23 LEU 24 -6.408 -3.171 0.174 226 H GLU 25 H GLU 25 -10.233 -4.339 3.775 227 HA GLU 25 HA GLU 25 -12.446 -4.302 4.275 228 HB2 GLU 25 HB2 GLU 25 -11.414 -2.473 6.460 229 HB3 GLU 25 HB3 GLU 25 -13.044 -3.111 6.409 230 HG2 GLU 25 HG2 GLU 25 -12.186 -5.413 6.410 231 HG3 GLU 25 HG3 GLU 25 -10.532 -4.807 6.422 232 H VAL 26 H VAL 26 -11.543 -2.361 2.315 233 HA VAL 26 HA VAL 26 -13.965 -0.707 2.312 234 HB VAL 26 HB VAL 26 -12.700 1.098 1.138 235 HG11 VAL 26 HG11 VAL 26 -13.110 1.429 3.493 236 HG12 VAL 26 HG12 VAL 26 -11.464 1.931 3.145 237 HG13 VAL 26 HG13 VAL 26 -11.754 0.383 3.938 238 HG21 VAL 26 HG21 VAL 26 -10.804 -0.180 0.302 239 HG22 VAL 26 HG22 VAL 26 -10.306 -0.590 1.945 240 HG23 VAL 26 HG23 VAL 26 -10.200 1.076 1.376 241 H SER 27 H SER 27 -14.502 -0.066 -0.030 242 HA SER 27 HA SER 27 -14.613 -2.444 -1.504 243 HB2 SER 27 HB2 SER 27 -14.812 0.304 -2.719 244 HB3 SER 27 HB3 SER 27 -15.599 -1.170 -3.239 245 HG SER 27 HG SER 27 -16.416 -1.009 -0.850 246 H ARG 28 H ARG 28 -13.240 -3.383 -2.801 247 HA ARG 28 HA ARG 28 -10.551 -2.564 -2.947 248 HB2 ARG 28 HB2 ARG 28 -11.371 -4.900 -3.014 249 HB3 ARG 28 HB3 ARG 28 -11.889 -4.651 -4.701 250 HG2 ARG 28 HG2 ARG 28 -9.358 -3.805 -4.943 251 HG3 ARG 28 HG3 ARG 28 -9.230 -4.684 -3.427 252 HD2 ARG 28 HD2 ARG 28 -8.666 -6.244 -5.281 253 HD3 ARG 28 HD3 ARG 28 -10.117 -6.738 -4.438 254 HE ARG 28 HE ARG 28 -11.258 -6.455 -6.418 255 HH11 ARG 28 HH11 ARG 28 -8.456 -4.436 -6.377 256 HH12 ARG 28 HH12 ARG 28 -8.644 -3.770 -7.937 257 HH21 ARG 28 HH21 ARG 28 -11.584 -5.638 -8.551 258 HH22 ARG 28 HH22 ARG 28 -10.486 -4.514 -9.217 259 H GLN 29 H GLN 29 -13.126 -2.600 -5.290 260 HA GLN 29 HA GLN 29 -11.633 -2.007 -7.578 261 HB2 GLN 29 HB2 GLN 29 -14.487 -1.068 -7.287 262 HB3 GLN 29 HB3 GLN 29 -13.657 -1.701 -8.707 263 HG2 GLN 29 HG2 GLN 29 -13.428 -3.915 -7.511 264 HG3 GLN 29 HG3 GLN 29 -14.398 -3.243 -6.227 265 HE21 GLN 29 HE21 GLN 29 -16.536 -3.818 -6.344 266 HE22 GLN 29 HE22 GLN 29 -17.412 -4.052 -7.770 267 H THR 30 H THR 30 -13.423 0.187 -5.475 268 HA THR 30 HA THR 30 -12.787 2.530 -6.930 269 HB THR 30 HB THR 30 -13.587 3.657 -4.817 270 HG1 THR 30 HG1 THR 30 -13.074 2.090 -3.296 271 HG21 THR 30 HG21 THR 30 -15.020 2.867 -6.778 272 HG22 THR 30 HG22 THR 30 -15.873 3.074 -5.253 273 HG23 THR 30 HG23 THR 30 -15.418 1.462 -5.813 274 H ILE 31 H ILE 31 -11.200 0.841 -4.294 275 HA ILE 31 HA ILE 31 -9.466 2.922 -3.556 276 HB ILE 31 HB ILE 31 -9.934 0.570 -2.437 277 HG12 ILE 31 HG12 ILE 31 -8.664 2.371 -1.349 278 HG13 ILE 31 HG13 ILE 31 -7.866 0.851 -1.118 279 HG21 ILE 31 HG21 ILE 31 -7.240 -0.236 -3.342 280 HG22 ILE 31 HG22 ILE 31 -8.478 -0.433 -4.563 281 HG23 ILE 31 HG23 ILE 31 -8.653 -1.195 -2.992 282 HD11 ILE 31 HD11 ILE 31 -6.050 2.068 -1.763 283 HD12 ILE 31 HD12 ILE 31 -6.983 3.150 -2.780 284 HD13 ILE 31 HD13 ILE 31 -6.553 1.534 -3.354 285 H ASN 32 H ASN 32 -9.339 0.527 -6.087 286 HA ASN 32 HA ASN 32 -6.700 1.021 -6.986 287 HB2 ASN 32 HB2 ASN 32 -9.190 -0.029 -8.345 288 HB3 ASN 32 HB3 ASN 32 -7.757 0.338 -9.277 289 HD21 ASN 32 HD21 ASN 32 -5.812 -0.531 -7.205 290 HD22 ASN 32 HD22 ASN 32 -5.957 -2.215 -7.145 291 H GLY 33 H GLY 33 -9.795 2.535 -7.639 292 HA2 GLY 33 HA2 GLY 33 -8.842 4.444 -9.538 293 HA3 GLY 33 HA3 GLY 33 -10.340 4.549 -8.612 294 H ILE 34 H ILE 34 -9.553 4.613 -6.046 295 HA ILE 34 HA ILE 34 -8.639 7.248 -5.849 296 HB ILE 34 HB ILE 34 -9.503 5.234 -3.859 297 HG12 ILE 34 HG12 ILE 34 -10.924 7.265 -3.231 298 HG13 ILE 34 HG13 ILE 34 -10.118 8.080 -4.595 299 HG21 ILE 34 HG21 ILE 34 -9.005 6.854 -2.039 300 HG22 ILE 34 HG22 ILE 34 -7.826 7.635 -3.116 301 HG23 ILE 34 HG23 ILE 34 -7.621 5.954 -2.630 302 HD11 ILE 34 HD11 ILE 34 -11.600 5.466 -4.907 303 HD12 ILE 34 HD12 ILE 34 -11.026 6.561 -6.177 304 HD13 ILE 34 HD13 ILE 34 -12.359 7.041 -5.122 305 H GLU 35 H GLU 35 -6.876 4.254 -5.155 306 HA GLU 35 HA GLU 35 -4.534 5.622 -4.318 307 HB2 GLU 35 HB2 GLU 35 -5.225 2.873 -4.983 308 HB3 GLU 35 HB3 GLU 35 -3.655 3.273 -5.639 309 HG2 GLU 35 HG2 GLU 35 -3.269 4.344 -3.236 310 HG3 GLU 35 HG3 GLU 35 -4.567 3.278 -2.776 311 H LYS 36 H LYS 36 -6.128 5.323 -7.270 312 HA LYS 36 HA LYS 36 -3.800 5.967 -8.842 313 HB2 LYS 36 HB2 LYS 36 -5.471 4.343 -9.726 314 HB3 LYS 36 HB3 LYS 36 -6.659 5.654 -9.801 315 HG2 LYS 36 HG2 LYS 36 -5.328 6.854 -11.407 316 HG3 LYS 36 HG3 LYS 36 -3.977 5.720 -11.237 317 HD2 LYS 36 HD2 LYS 36 -5.404 3.946 -12.205 318 HD3 LYS 36 HD3 LYS 36 -6.745 5.084 -12.322 319 HE2 LYS 36 HE2 LYS 36 -5.285 4.694 -14.415 320 HE3 LYS 36 HE3 LYS 36 -5.715 6.346 -13.998 321 HZ1 LYS 36 HZ1 LYS 36 -3.347 6.065 -14.537 322 HZ2 LYS 36 HZ2 LYS 36 -3.127 5.039 -13.231 323 HZ3 LYS 36 HZ3 LYS 36 -3.544 6.668 -12.993 324 H ASN 37 H ASN 37 -4.013 7.885 -7.060 325 HA ASN 37 HA ASN 37 -3.407 10.157 -7.518 326 HB2 ASN 37 HB2 ASN 37 -4.318 9.979 -9.880 327 HB3 ASN 37 HB3 ASN 37 -5.884 10.403 -9.132 328 HD21 ASN 37 HD21 ASN 37 -2.480 11.638 -9.175 329 HD22 ASN 37 HD22 ASN 37 -2.940 13.265 -9.167 330 H LYS 38 H LYS 38 -5.873 8.791 -5.805 331 HA LYS 38 HA LYS 38 -6.781 11.468 -4.960 332 HB2 LYS 38 HB2 LYS 38 -8.146 8.902 -5.020 333 HB3 LYS 38 HB3 LYS 38 -8.196 9.621 -3.420 334 HG2 LYS 38 HG2 LYS 38 -9.956 10.756 -4.224 335 HG3 LYS 38 HG3 LYS 38 -8.748 11.835 -4.901 336 HD2 LYS 38 HD2 LYS 38 -8.788 10.351 -6.990 337 HD3 LYS 38 HD3 LYS 38 -10.220 9.576 -6.319 338 HE2 LYS 38 HE2 LYS 38 -9.895 12.355 -7.392 339 HE3 LYS 38 HE3 LYS 38 -11.240 11.249 -7.556 340 HZ1 LYS 38 HZ1 LYS 38 -11.565 11.614 -5.042 341 HZ2 LYS 38 HZ2 LYS 38 -12.017 12.868 -6.066 342 HZ3 LYS 38 HZ3 LYS 38 -10.581 12.980 -5.250 343 H TYR 39 H TYR 39 -5.716 8.445 -3.426 344 HA TYR 39 HA TYR 39 -3.738 9.819 -2.043 345 HB2 TYR 39 HB2 TYR 39 -4.512 9.605 0.304 346 HB3 TYR 39 HB3 TYR 39 -5.447 10.759 -0.626 347 HD1 TYR 39 HD1 TYR 39 -7.746 10.141 -1.442 348 HD2 TYR 39 HD2 TYR 39 -5.508 7.599 1.207 349 HE1 TYR 39 HE1 TYR 39 -9.816 8.937 -0.843 350 HE2 TYR 39 HE2 TYR 39 -7.562 6.392 1.799 351 HH TYR 39 HH TYR 39 -10.277 7.332 1.672 352 H ASN 40 H ASN 40 -2.598 8.519 -0.447 353 HA ASN 40 HA ASN 40 -2.336 5.764 -1.355 354 HB2 ASN 40 HB2 ASN 40 -0.343 7.180 -0.848 355 HB3 ASN 40 HB3 ASN 40 -0.874 7.287 0.822 356 HD21 ASN 40 HD21 ASN 40 -1.100 5.064 2.013 357 HD22 ASN 40 HD22 ASN 40 0.006 3.878 1.557 358 HA PRO 41 HA PRO 41 -4.905 4.083 1.860 359 HB2 PRO 41 HB2 PRO 41 -2.656 2.215 2.451 360 HB3 PRO 41 HB3 PRO 41 -4.371 1.857 2.178 361 HG2 PRO 41 HG2 PRO 41 -2.628 1.338 0.284 362 HG3 PRO 41 HG3 PRO 41 -4.212 2.021 -0.111 363 HD2 PRO 41 HD2 PRO 41 -1.560 3.355 -0.137 364 HD3 PRO 41 HD3 PRO 41 -2.989 3.657 -1.145 365 H SER 42 H SER 42 -5.116 4.865 3.949 366 HA SER 42 HA SER 42 -2.946 6.324 5.008 367 HB2 SER 42 HB2 SER 42 -4.659 6.809 6.853 368 HB3 SER 42 HB3 SER 42 -4.989 7.356 5.228 369 HG SER 42 HG SER 42 -5.965 5.097 6.597 370 H LEU 43 H LEU 43 -2.225 6.203 7.243 371 HA LEU 43 HA LEU 43 -1.129 3.712 7.666 372 HB2 LEU 43 HB2 LEU 43 -1.058 6.238 9.204 373 HB3 LEU 43 HB3 LEU 43 -0.577 4.764 10.045 374 HG LEU 43 HG LEU 43 0.994 4.215 8.222 375 HD11 LEU 43 HD11 LEU 43 0.126 6.885 7.070 376 HD12 LEU 43 HD12 LEU 43 -0.074 5.298 6.324 377 HD13 LEU 43 HD13 LEU 43 1.533 5.969 6.542 378 HD21 LEU 43 HD21 LEU 43 1.422 5.937 10.246 379 HD22 LEU 43 HD22 LEU 43 1.722 7.025 8.885 380 HD23 LEU 43 HD23 LEU 43 2.657 5.536 9.063 381 H GLN 44 H GLN 44 -3.948 5.102 9.261 382 HA GLN 44 HA GLN 44 -4.081 3.178 11.297 383 HB2 GLN 44 HB2 GLN 44 -6.163 4.031 11.859 384 HB3 GLN 44 HB3 GLN 44 -5.504 5.382 10.959 385 HG2 GLN 44 HG2 GLN 44 -7.299 3.255 9.704 386 HG3 GLN 44 HG3 GLN 44 -7.871 4.770 10.367 387 HE21 GLN 44 HE21 GLN 44 -8.151 6.309 8.792 388 HE22 GLN 44 HE22 GLN 44 -7.187 6.486 7.410 389 H LEU 45 H LEU 45 -5.494 3.151 8.074 390 HA LEU 45 HA LEU 45 -6.427 0.413 8.424 391 HB2 LEU 45 HB2 LEU 45 -7.279 0.559 6.140 392 HB3 LEU 45 HB3 LEU 45 -7.828 1.922 7.106 393 HG LEU 45 HG LEU 45 -5.704 3.147 6.128 394 HD11 LEU 45 HD11 LEU 45 -4.473 1.891 4.741 395 HD12 LEU 45 HD12 LEU 45 -5.801 2.016 3.592 396 HD13 LEU 45 HD13 LEU 45 -5.693 0.620 4.649 397 HD21 LEU 45 HD21 LEU 45 -7.041 4.022 4.334 398 HD22 LEU 45 HD22 LEU 45 -8.169 3.609 5.618 399 HD23 LEU 45 HD23 LEU 45 -7.994 2.544 4.231 400 H ALA 46 H ALA 46 -3.662 2.018 7.116 401 HA ALA 46 HA ALA 46 -2.848 0.231 5.270 402 HB1 ALA 46 HB1 ALA 46 -0.488 0.937 5.746 403 HB2 ALA 46 HB2 ALA 46 -1.110 1.836 7.123 404 HB3 ALA 46 HB3 ALA 46 -1.619 2.260 5.475 405 H LEU 47 H LEU 47 -2.780 -0.169 8.709 406 HA LEU 47 HA LEU 47 -0.855 -2.236 8.869 407 HB2 LEU 47 HB2 LEU 47 -3.211 -1.489 10.615 408 HB3 LEU 47 HB3 LEU 47 -2.342 -2.980 10.891 409 HG LEU 47 HG LEU 47 -0.191 -1.663 11.002 410 HD11 LEU 47 HD11 LEU 47 -2.098 0.679 10.987 411 HD12 LEU 47 HD12 LEU 47 -0.902 0.312 9.735 412 HD13 LEU 47 HD13 LEU 47 -0.382 0.759 11.351 413 HD21 LEU 47 HD21 LEU 47 -0.783 -0.565 13.237 414 HD22 LEU 47 HD22 LEU 47 -1.173 -2.274 13.098 415 HD23 LEU 47 HD23 LEU 47 -2.448 -1.077 12.944 416 H LYS 48 H LYS 48 -4.334 -2.273 8.174 417 HA LYS 48 HA LYS 48 -4.613 -5.100 8.149 418 HB2 LYS 48 HB2 LYS 48 -6.187 -2.944 6.724 419 HB3 LYS 48 HB3 LYS 48 -6.603 -4.658 6.726 420 HG2 LYS 48 HG2 LYS 48 -6.738 -4.644 9.199 421 HG3 LYS 48 HG3 LYS 48 -6.329 -2.934 9.207 422 HD2 LYS 48 HD2 LYS 48 -8.341 -2.374 7.956 423 HD3 LYS 48 HD3 LYS 48 -8.778 -4.068 7.797 424 HE2 LYS 48 HE2 LYS 48 -8.397 -2.751 10.489 425 HE3 LYS 48 HE3 LYS 48 -9.948 -2.771 9.659 426 HZ1 LYS 48 HZ1 LYS 48 -9.427 -4.731 11.262 427 HZ2 LYS 48 HZ2 LYS 48 -8.463 -5.298 9.985 428 HZ3 LYS 48 HZ3 LYS 48 -10.104 -5.044 9.740 429 H ILE 49 H ILE 49 -3.925 -2.777 5.546 430 HA ILE 49 HA ILE 49 -3.704 -4.854 3.589 431 HB ILE 49 HB ILE 49 -4.334 -2.527 2.994 432 HG12 ILE 49 HG12 ILE 49 -1.817 -3.507 1.598 433 HG13 ILE 49 HG13 ILE 49 -3.430 -4.163 1.338 434 HG21 ILE 49 HG21 ILE 49 -2.565 -1.529 4.497 435 HG22 ILE 49 HG22 ILE 49 -2.720 -0.773 2.910 436 HG23 ILE 49 HG23 ILE 49 -1.378 -1.879 3.241 437 HD11 ILE 49 HD11 ILE 49 -3.582 -1.303 1.082 438 HD12 ILE 49 HD12 ILE 49 -3.871 -2.534 -0.145 439 HD13 ILE 49 HD13 ILE 49 -2.252 -1.880 0.099 440 H ALA 50 H ALA 50 -1.390 -2.950 5.472 441 HA ALA 50 HA ALA 50 0.918 -3.586 4.162 442 HB1 ALA 50 HB1 ALA 50 0.627 -3.086 7.125 443 HB2 ALA 50 HB2 ALA 50 0.846 -1.868 5.865 444 HB3 ALA 50 HB3 ALA 50 2.131 -3.020 6.215 445 H TYR 51 H TYR 51 -0.334 -5.313 7.018 446 HA TYR 51 HA TYR 51 1.818 -7.106 7.045 447 HB2 TYR 51 HB2 TYR 51 -0.911 -7.349 8.317 448 HB3 TYR 51 HB3 TYR 51 0.365 -8.539 8.554 449 HD1 TYR 51 HD1 TYR 51 2.752 -7.600 9.184 450 HD2 TYR 51 HD2 TYR 51 -0.912 -5.429 9.773 451 HE1 TYR 51 HE1 TYR 51 3.867 -6.141 10.820 452 HE2 TYR 51 HE2 TYR 51 0.206 -3.981 11.401 453 HH TYR 51 HH TYR 51 2.642 -4.588 12.987 454 H TYR 52 H TYR 52 -1.323 -7.378 5.554 455 HA TYR 52 HA TYR 52 -0.863 -9.968 4.388 456 HB2 TYR 52 HB2 TYR 52 -2.834 -7.752 3.852 457 HB3 TYR 52 HB3 TYR 52 -2.723 -9.151 2.784 458 HD1 TYR 52 HD1 TYR 52 -3.495 -8.076 6.272 459 HD2 TYR 52 HD2 TYR 52 -3.402 -11.356 3.475 460 HE1 TYR 52 HE1 TYR 52 -4.797 -9.460 7.840 461 HE2 TYR 52 HE2 TYR 52 -4.693 -12.722 5.031 462 HH TYR 52 HH TYR 52 -4.898 -12.563 7.787 463 H LEU 53 H LEU 53 -0.280 -6.650 3.502 464 HA LEU 53 HA LEU 53 0.505 -6.995 0.842 465 HB2 LEU 53 HB2 LEU 53 -0.010 -4.793 1.772 466 HB3 LEU 53 HB3 LEU 53 1.371 -4.930 2.873 467 HG LEU 53 HG LEU 53 2.900 -4.919 0.982 468 HD11 LEU 53 HD11 LEU 53 1.747 -5.982 -0.782 469 HD12 LEU 53 HD12 LEU 53 1.834 -4.273 -1.264 470 HD13 LEU 53 HD13 LEU 53 0.344 -4.918 -0.594 471 HD21 LEU 53 HD21 LEU 53 2.273 -2.757 1.917 472 HD22 LEU 53 HD22 LEU 53 0.828 -2.708 0.906 473 HD23 LEU 53 HD23 LEU 53 2.439 -2.616 0.178 474 H ASN 54 H ASN 54 1.967 -8.078 3.697 475 HA ASN 54 HA ASN 54 3.978 -9.120 4.118 476 HB2 ASN 54 HB2 ASN 54 4.173 -8.973 1.123 477 HB3 ASN 54 HB3 ASN 54 5.465 -9.578 2.128 478 HD21 ASN 54 HD21 ASN 54 2.565 -10.546 0.563 479 HD22 ASN 54 HD22 ASN 54 2.346 -12.006 1.384 480 H THR 55 H THR 55 3.715 -6.312 4.372 481 HA THR 55 HA THR 55 6.499 -5.622 4.165 482 HB THR 55 HB THR 55 4.641 -4.852 2.298 483 HG1 THR 55 HG1 THR 55 7.121 -3.460 2.643 484 HG21 THR 55 HG21 THR 55 5.385 -2.428 3.980 485 HG22 THR 55 HG22 THR 55 3.775 -3.107 3.739 486 HG23 THR 55 HG23 THR 55 4.622 -2.370 2.388 487 HA PRO 56 HA PRO 56 5.489 -3.957 8.209 488 HB2 PRO 56 HB2 PRO 56 7.886 -2.265 7.716 489 HB3 PRO 56 HB3 PRO 56 7.495 -3.318 9.097 490 HG2 PRO 56 HG2 PRO 56 9.278 -4.038 7.299 491 HG3 PRO 56 HG3 PRO 56 8.177 -5.233 8.007 492 HD2 PRO 56 HD2 PRO 56 8.135 -4.064 5.254 493 HD3 PRO 56 HD3 PRO 56 7.610 -5.658 5.848 494 H LEU 57 H LEU 57 4.572 -2.104 9.064 495 HA LEU 57 HA LEU 57 3.405 -0.146 7.347 496 HB2 LEU 57 HB2 LEU 57 2.784 -0.856 9.811 497 HB3 LEU 57 HB3 LEU 57 3.977 0.326 10.291 498 HG LEU 57 HG LEU 57 1.649 1.220 10.219 499 HD11 LEU 57 HD11 LEU 57 3.010 2.780 8.108 500 HD12 LEU 57 HD12 LEU 57 3.944 2.499 9.586 501 HD13 LEU 57 HD13 LEU 57 2.373 3.264 9.671 502 HD21 LEU 57 HD21 LEU 57 0.383 1.287 8.340 503 HD22 LEU 57 HD22 LEU 57 1.275 -0.175 7.932 504 HD23 LEU 57 HD23 LEU 57 1.750 1.384 7.237 505 H GLU 58 H GLU 58 6.293 -0.240 9.338 506 HA GLU 58 HA GLU 58 7.180 2.414 8.910 507 HB2 GLU 58 HB2 GLU 58 8.652 -0.142 9.571 508 HB3 GLU 58 HB3 GLU 58 9.395 1.450 9.602 509 HG2 GLU 58 HG2 GLU 58 7.814 2.210 11.288 510 HG3 GLU 58 HG3 GLU 58 6.939 0.691 11.229 511 H ASP 59 H ASP 59 7.307 -0.499 6.980 512 HA ASP 59 HA ASP 59 9.459 0.227 5.237 513 HB2 ASP 59 HB2 ASP 59 8.559 -2.106 5.605 514 HB3 ASP 59 HB3 ASP 59 7.169 -1.657 4.624 515 H ILE 60 H ILE 60 6.032 0.828 5.213 516 HA ILE 60 HA ILE 60 6.294 2.232 2.642 517 HB ILE 60 HB ILE 60 3.886 2.556 2.763 518 HG12 ILE 60 HG12 ILE 60 3.956 0.922 5.333 519 HG13 ILE 60 HG13 ILE 60 3.712 2.673 5.304 520 HG21 ILE 60 HG21 ILE 60 3.376 -0.094 3.087 521 HG22 ILE 60 HG22 ILE 60 5.122 -0.140 2.936 522 HG23 ILE 60 HG23 ILE 60 4.146 0.566 1.649 523 HD11 ILE 60 HD11 ILE 60 1.815 0.565 4.865 524 HD12 ILE 60 HD12 ILE 60 1.897 1.593 3.435 525 HD13 ILE 60 HD13 ILE 60 1.534 2.304 5.006 526 H PHE 61 H PHE 61 5.716 2.807 6.047 527 HA PHE 61 HA PHE 61 5.105 5.535 5.870 528 HB2 PHE 61 HB2 PHE 61 4.710 4.173 7.897 529 HB3 PHE 61 HB3 PHE 61 6.452 4.120 8.174 530 HD1 PHE 61 HD1 PHE 61 3.766 6.649 7.450 531 HD2 PHE 61 HD2 PHE 61 7.380 5.713 9.594 532 HE1 PHE 61 HE1 PHE 61 3.664 8.833 8.575 533 HE2 PHE 61 HE2 PHE 61 7.263 7.911 10.725 534 HZ PHE 61 HZ PHE 61 5.404 9.472 10.214 535 H GLN 62 H GLN 62 8.227 3.918 6.335 536 HA GLN 62 HA GLN 62 10.361 4.603 6.009 537 HB2 GLN 62 HB2 GLN 62 8.886 6.071 4.042 538 HB3 GLN 62 HB3 GLN 62 10.130 7.115 4.719 539 HG2 GLN 62 HG2 GLN 62 11.334 6.034 3.028 540 HG3 GLN 62 HG3 GLN 62 11.697 5.027 4.410 541 HE21 GLN 62 HE21 GLN 62 10.363 3.064 4.675 542 HE22 GLN 62 HE22 GLN 62 9.658 2.304 3.331 543 H TRP 63 H TRP 63 8.191 7.155 7.022 544 HA TRP 63 HA TRP 63 8.363 8.639 8.766 545 HB2 TRP 63 HB2 TRP 63 9.883 6.824 9.859 546 HB3 TRP 63 HB3 TRP 63 11.221 7.807 9.295 547 HD1 TRP 63 HD1 TRP 63 10.562 10.658 9.896 548 HE1 TRP 63 HE1 TRP 63 10.049 11.521 12.253 549 HE3 TRP 63 HE3 TRP 63 9.205 6.275 12.148 550 HZ2 TRP 63 HZ2 TRP 63 9.175 10.493 14.783 551 HZ3 TRP 63 HZ3 TRP 63 8.532 6.254 14.534 552 HH2 TRP 63 HH2 TRP 63 8.524 8.359 15.849 553 H GLN 64 H GLN 64 11.517 8.305 7.151 554 HA GLN 64 HA GLN 64 12.961 9.931 6.368 555 HB2 GLN 64 HB2 GLN 64 11.016 9.546 4.609 556 HB3 GLN 64 HB3 GLN 64 10.647 11.227 4.937 557 HG2 GLN 64 HG2 GLN 64 13.546 10.591 4.474 558 HG3 GLN 64 HG3 GLN 64 12.490 10.424 3.089 559 HE21 GLN 64 HE21 GLN 64 11.472 12.845 5.394 560 HE22 GLN 64 HE22 GLN 64 12.007 14.180 4.529 561 HA PRO 65 HA PRO 65 11.570 13.209 9.358 562 HB2 PRO 65 HB2 PRO 65 13.735 13.224 10.902 563 HB3 PRO 65 HB3 PRO 65 12.482 11.980 11.097 564 HG2 PRO 65 HG2 PRO 65 15.160 11.754 9.805 565 HG3 PRO 65 HG3 PRO 65 14.270 10.572 10.777 566 HD2 PRO 65 HD2 PRO 65 14.380 10.571 7.998 567 HD3 PRO 65 HD3 PRO 65 13.148 9.728 8.953 568 H GLU 66 H GLU 66 12.556 13.604 6.721 569 HA GLU 66 HA GLU 66 14.312 15.909 7.136 570 HB2 GLU 66 HB2 GLU 66 14.727 13.762 5.049 571 HB3 GLU 66 HB3 GLU 66 15.507 15.338 5.002 572 HG2 GLU 66 HG2 GLU 66 16.531 14.951 7.198 573 HG3 GLU 66 HG3 GLU 66 15.712 13.407 7.324 Start of MODEL 17 1 H1 MET 1 H1 MET 1 10.062 10.678 -1.685 2 HA MET 1 HA MET 1 9.824 8.082 -2.506 3 HB2 MET 1 HB2 MET 1 12.695 8.705 -1.780 4 HB3 MET 1 HB3 MET 1 12.021 7.084 -1.852 5 HG2 MET 1 HG2 MET 1 12.037 9.032 -4.181 6 HG3 MET 1 HG3 MET 1 13.188 7.727 -3.963 7 HE1 MET 1 HE1 MET 1 12.905 5.463 -4.044 8 HE2 MET 1 HE2 MET 1 11.522 4.542 -4.650 9 HE3 MET 1 HE3 MET 1 11.551 5.102 -2.986 10 H ILE 2 H ILE 2 8.298 8.240 -0.795 11 HA ILE 2 HA ILE 2 9.101 8.710 1.931 12 HB ILE 2 HB ILE 2 6.665 7.290 0.785 13 HG12 ILE 2 HG12 ILE 2 6.927 10.166 1.770 14 HG13 ILE 2 HG13 ILE 2 7.003 9.711 0.076 15 HG21 ILE 2 HG21 ILE 2 7.118 8.491 3.539 16 HG22 ILE 2 HG22 ILE 2 7.055 6.761 3.172 17 HG23 ILE 2 HG23 ILE 2 5.628 7.758 2.962 18 HD11 ILE 2 HD11 ILE 2 4.744 8.730 0.232 19 HD12 ILE 2 HD12 ILE 2 4.749 10.430 0.678 20 HD13 ILE 2 HD13 ILE 2 4.646 9.208 1.931 21 H ILE 3 H ILE 3 11.020 7.300 1.578 22 HA ILE 3 HA ILE 3 12.245 5.383 1.879 23 HB ILE 3 HB ILE 3 9.667 4.128 2.932 24 HG12 ILE 3 HG12 ILE 3 10.434 6.111 4.245 25 HG13 ILE 3 HG13 ILE 3 10.595 4.606 5.158 26 HG21 ILE 3 HG21 ILE 3 11.029 2.304 2.481 27 HG22 ILE 3 HG22 ILE 3 11.518 2.708 4.125 28 HG23 ILE 3 HG23 ILE 3 12.529 3.196 2.779 29 HD11 ILE 3 HD11 ILE 3 12.770 6.226 3.817 30 HD12 ILE 3 HD12 ILE 3 13.030 4.545 4.282 31 HD13 ILE 3 HD13 ILE 3 12.657 5.742 5.509 32 H ASN 4 H ASN 4 9.007 4.692 0.742 33 HA ASN 4 HA ASN 4 9.877 4.212 -1.887 34 HB2 ASN 4 HB2 ASN 4 9.824 1.901 -0.205 35 HB3 ASN 4 HB3 ASN 4 8.495 1.748 -1.340 36 HD21 ASN 4 HD21 ASN 4 11.853 3.062 -1.589 37 HD22 ASN 4 HD22 ASN 4 12.246 2.165 -2.976 38 H ASN 5 H ASN 5 7.191 2.719 -0.163 39 HA ASN 5 HA ASN 5 5.138 4.177 0.103 40 HB2 ASN 5 HB2 ASN 5 5.304 5.596 -1.797 41 HB3 ASN 5 HB3 ASN 5 5.528 4.255 -2.911 42 HD21 ASN 5 HD21 ASN 5 3.175 6.294 -1.386 43 HD22 ASN 5 HD22 ASN 5 1.805 5.479 -1.952 44 H LEU 6 H LEU 6 2.946 3.211 -0.469 45 HA LEU 6 HA LEU 6 3.033 0.517 0.198 46 HB2 LEU 6 HB2 LEU 6 1.057 2.305 0.277 47 HB3 LEU 6 HB3 LEU 6 0.661 1.601 -1.275 48 HG LEU 6 HG LEU 6 -0.595 0.399 0.380 49 HD11 LEU 6 HD11 LEU 6 0.537 -0.993 -1.400 50 HD12 LEU 6 HD12 LEU 6 0.106 -1.847 0.072 51 HD13 LEU 6 HD13 LEU 6 1.777 -1.399 -0.207 52 HD21 LEU 6 HD21 LEU 6 1.934 -0.345 1.863 53 HD22 LEU 6 HD22 LEU 6 0.260 -0.453 2.388 54 HD23 LEU 6 HD23 LEU 6 1.009 1.119 2.261 55 H LYS 7 H LYS 7 2.439 2.005 -2.998 56 HA LYS 7 HA LYS 7 2.358 -0.592 -4.271 57 HB2 LYS 7 HB2 LYS 7 2.748 0.873 -6.434 58 HB3 LYS 7 HB3 LYS 7 1.177 0.824 -5.671 59 HG2 LYS 7 HG2 LYS 7 3.156 2.948 -4.834 60 HG3 LYS 7 HG3 LYS 7 2.283 3.116 -6.329 61 HD2 LYS 7 HD2 LYS 7 0.113 2.837 -5.156 62 HD3 LYS 7 HD3 LYS 7 0.948 2.750 -3.616 63 HE2 LYS 7 HE2 LYS 7 0.273 5.021 -3.808 64 HE3 LYS 7 HE3 LYS 7 1.979 5.042 -4.206 65 HZ1 LYS 7 HZ1 LYS 7 0.797 6.322 -5.813 66 HZ2 LYS 7 HZ2 LYS 7 -0.305 5.077 -6.106 67 HZ3 LYS 7 HZ3 LYS 7 1.339 4.950 -6.567 68 H LEU 8 H LEU 8 4.717 1.884 -3.724 69 HA LEU 8 HA LEU 8 6.798 0.889 -5.346 70 HB2 LEU 8 HB2 LEU 8 6.693 2.570 -2.893 71 HB3 LEU 8 HB3 LEU 8 8.252 2.043 -3.512 72 HG LEU 8 HG LEU 8 7.433 4.307 -4.293 73 HD11 LEU 8 HD11 LEU 8 8.737 4.113 -6.122 74 HD12 LEU 8 HD12 LEU 8 7.829 2.753 -6.786 75 HD13 LEU 8 HD13 LEU 8 9.027 2.479 -5.541 76 HD21 LEU 8 HD21 LEU 8 5.568 2.596 -6.012 77 HD22 LEU 8 HD22 LEU 8 5.869 4.309 -6.210 78 HD23 LEU 8 HD23 LEU 8 5.046 3.747 -4.772 79 H ILE 9 H ILE 9 5.947 0.237 -1.959 80 HA ILE 9 HA ILE 9 8.065 -1.648 -1.570 81 HB ILE 9 HB ILE 9 5.415 -1.317 -0.099 82 HG12 ILE 9 HG12 ILE 9 6.974 0.638 0.139 83 HG13 ILE 9 HG13 ILE 9 6.852 -0.265 1.641 84 HG21 ILE 9 HG21 ILE 9 7.688 -3.234 0.160 85 HG22 ILE 9 HG22 ILE 9 5.982 -3.451 0.581 86 HG23 ILE 9 HG23 ILE 9 7.049 -2.569 1.652 87 HD11 ILE 9 HD11 ILE 9 8.953 -1.550 0.780 88 HD12 ILE 9 HD12 ILE 9 9.139 0.094 1.415 89 HD13 ILE 9 HD13 ILE 9 9.110 -0.175 -0.329 90 H ARG 10 H ARG 10 4.704 -1.829 -2.563 91 HA ARG 10 HA ARG 10 4.306 -4.580 -2.669 92 HB2 ARG 10 HB2 ARG 10 2.515 -2.895 -2.929 93 HB3 ARG 10 HB3 ARG 10 3.198 -2.443 -4.495 94 HG2 ARG 10 HG2 ARG 10 2.927 -5.176 -4.704 95 HG3 ARG 10 HG3 ARG 10 1.466 -4.725 -3.835 96 HD2 ARG 10 HD2 ARG 10 2.447 -3.468 -6.397 97 HD3 ARG 10 HD3 ARG 10 1.139 -4.639 -6.273 98 HE ARG 10 HE ARG 10 0.300 -2.687 -4.598 99 HH11 ARG 10 HH11 ARG 10 1.615 -2.577 -7.846 100 HH12 ARG 10 HH12 ARG 10 0.703 -1.214 -8.313 101 HH21 ARG 10 HH21 ARG 10 -0.972 -0.795 -5.291 102 HH22 ARG 10 HH22 ARG 10 -0.769 -0.243 -6.889 103 H GLU 11 H GLU 11 5.576 -2.410 -5.199 104 HA GLU 11 HA GLU 11 5.694 -4.394 -7.175 105 HB2 GLU 11 HB2 GLU 11 7.236 -2.903 -8.427 106 HB3 GLU 11 HB3 GLU 11 5.851 -2.036 -7.790 107 HG2 GLU 11 HG2 GLU 11 7.091 -1.143 -5.997 108 HG3 GLU 11 HG3 GLU 11 8.504 -2.157 -6.321 109 H LYS 12 H LYS 12 8.073 -3.502 -4.737 110 HA LYS 12 HA LYS 12 10.285 -4.880 -5.791 111 HB2 LYS 12 HB2 LYS 12 9.719 -4.572 -2.830 112 HB3 LYS 12 HB3 LYS 12 11.283 -4.747 -3.628 113 HG2 LYS 12 HG2 LYS 12 9.385 -2.420 -3.826 114 HG3 LYS 12 HG3 LYS 12 10.967 -2.421 -3.087 115 HD2 LYS 12 HD2 LYS 12 12.028 -2.920 -5.256 116 HD3 LYS 12 HD3 LYS 12 10.482 -2.858 -6.080 117 HE2 LYS 12 HE2 LYS 12 11.960 -0.640 -4.692 118 HE3 LYS 12 HE3 LYS 12 11.495 -0.769 -6.381 119 HZ1 LYS 12 HZ1 LYS 12 9.167 -0.927 -4.662 120 HZ2 LYS 12 HZ2 LYS 12 9.490 0.092 -5.969 121 HZ3 LYS 12 HZ3 LYS 12 10.036 0.467 -4.399 122 H LYS 13 H LYS 13 7.809 -5.982 -3.553 123 HA LYS 13 HA LYS 13 8.999 -8.628 -3.492 124 HB2 LYS 13 HB2 LYS 13 7.290 -9.161 -1.820 125 HB3 LYS 13 HB3 LYS 13 8.285 -7.777 -1.367 126 HG2 LYS 13 HG2 LYS 13 6.468 -6.254 -2.180 127 HG3 LYS 13 HG3 LYS 13 5.504 -7.663 -2.600 128 HD2 LYS 13 HD2 LYS 13 4.660 -7.399 -0.555 129 HD3 LYS 13 HD3 LYS 13 6.054 -8.330 -0.046 130 HE2 LYS 13 HE2 LYS 13 6.823 -5.513 -0.215 131 HE3 LYS 13 HE3 LYS 13 5.369 -5.656 0.713 132 HZ1 LYS 13 HZ1 LYS 13 7.946 -7.024 1.279 133 HZ2 LYS 13 HZ2 LYS 13 6.501 -7.358 2.135 134 HZ3 LYS 13 HZ3 LYS 13 7.100 -5.814 2.112 135 H LYS 14 H LYS 14 7.122 -7.212 -5.614 136 HA LYS 14 HA LYS 14 5.747 -7.890 -7.286 137 HB2 LYS 14 HB2 LYS 14 6.404 -10.760 -7.066 138 HB3 LYS 14 HB3 LYS 14 6.529 -9.685 -8.432 139 HG2 LYS 14 HG2 LYS 14 8.522 -9.829 -6.116 140 HG3 LYS 14 HG3 LYS 14 8.738 -10.533 -7.691 141 HD2 LYS 14 HD2 LYS 14 8.365 -8.093 -8.615 142 HD3 LYS 14 HD3 LYS 14 8.724 -7.613 -6.961 143 HE2 LYS 14 HE2 LYS 14 10.535 -9.375 -8.641 144 HE3 LYS 14 HE3 LYS 14 10.751 -7.652 -8.423 145 HZ1 LYS 14 HZ1 LYS 14 10.711 -8.196 -5.925 146 HZ2 LYS 14 HZ2 LYS 14 12.083 -8.561 -6.812 147 HZ3 LYS 14 HZ3 LYS 14 11.035 -9.798 -6.410 148 H ILE 15 H ILE 15 4.490 -7.848 -4.659 149 HA ILE 15 HA ILE 15 2.508 -10.034 -4.915 150 HB ILE 15 HB ILE 15 3.164 -8.124 -2.658 151 HG12 ILE 15 HG12 ILE 15 2.510 -10.412 -1.496 152 HG13 ILE 15 HG13 ILE 15 2.827 -11.090 -3.083 153 HG21 ILE 15 HG21 ILE 15 1.017 -8.844 -1.568 154 HG22 ILE 15 HG22 ILE 15 0.510 -9.457 -3.145 155 HG23 ILE 15 HG23 ILE 15 0.794 -7.732 -2.928 156 HD11 ILE 15 HD11 ILE 15 5.036 -9.687 -2.914 157 HD12 ILE 15 HD12 ILE 15 4.923 -11.209 -2.038 158 HD13 ILE 15 HD13 ILE 15 4.690 -9.688 -1.179 159 H SER 16 H SER 16 0.598 -9.668 -5.891 160 HA SER 16 HA SER 16 0.179 -7.155 -7.178 161 HB2 SER 16 HB2 SER 16 -2.208 -8.854 -6.997 162 HB3 SER 16 HB3 SER 16 -1.344 -8.235 -8.378 163 HG SER 16 HG SER 16 -0.603 -10.425 -6.736 164 H GLN 17 H GLN 17 -1.378 -5.584 -6.693 165 HA GLN 17 HA GLN 17 -1.845 -5.066 -3.975 166 HB2 GLN 17 HB2 GLN 17 -3.284 -3.247 -4.698 167 HB3 GLN 17 HB3 GLN 17 -1.922 -3.341 -5.791 168 HG2 GLN 17 HG2 GLN 17 -3.219 -4.497 -7.463 169 HG3 GLN 17 HG3 GLN 17 -4.615 -4.620 -6.386 170 HE21 GLN 17 HE21 GLN 17 -5.757 -2.581 -5.878 171 HE22 GLN 17 HE22 GLN 17 -5.561 -1.234 -6.886 172 H SER 18 H SER 18 -3.602 -6.899 -6.339 173 HA SER 18 HA SER 18 -6.116 -7.088 -5.197 174 HB2 SER 18 HB2 SER 18 -4.599 -9.340 -6.540 175 HB3 SER 18 HB3 SER 18 -6.334 -9.191 -6.368 176 HG SER 18 HG SER 18 -5.757 -8.423 -8.379 177 H GLU 19 H GLU 19 -3.107 -8.734 -4.287 178 HA GLU 19 HA GLU 19 -4.178 -10.626 -2.507 179 HB2 GLU 19 HB2 GLU 19 -1.500 -9.251 -2.771 180 HB3 GLU 19 HB3 GLU 19 -1.796 -10.316 -1.421 181 HG2 GLU 19 HG2 GLU 19 -0.888 -11.750 -2.993 182 HG3 GLU 19 HG3 GLU 19 -2.597 -12.013 -3.262 183 H LEU 20 H LEU 20 -2.920 -7.436 -1.884 184 HA LEU 20 HA LEU 20 -3.760 -7.484 0.889 185 HB2 LEU 20 HB2 LEU 20 -2.895 -5.134 0.924 186 HB3 LEU 20 HB3 LEU 20 -1.722 -6.364 0.507 187 HG LEU 20 HG LEU 20 -2.430 -5.834 -2.001 188 HD11 LEU 20 HD11 LEU 20 -3.844 -4.174 -2.303 189 HD12 LEU 20 HD12 LEU 20 -2.783 -3.060 -1.440 190 HD13 LEU 20 HD13 LEU 20 -4.019 -3.961 -0.565 191 HD21 LEU 20 HD21 LEU 20 -0.944 -3.519 -0.941 192 HD22 LEU 20 HD22 LEU 20 -0.465 -4.725 -2.143 193 HD23 LEU 20 HD23 LEU 20 -0.356 -5.090 -0.419 194 H ALA 21 H ALA 21 -4.826 -5.949 -2.052 195 HA ALA 21 HA ALA 21 -6.205 -3.852 -1.043 196 HB1 ALA 21 HB1 ALA 21 -5.662 -4.088 -3.389 197 HB2 ALA 21 HB2 ALA 21 -7.328 -3.623 -3.143 198 HB3 ALA 21 HB3 ALA 21 -6.934 -5.304 -3.573 199 H ALA 22 H ALA 22 -7.584 -7.054 -1.396 200 HA ALA 22 HA ALA 22 -10.270 -6.237 -0.942 201 HB1 ALA 22 HB1 ALA 22 -9.312 -8.950 -0.082 202 HB2 ALA 22 HB2 ALA 22 -9.339 -8.519 -1.792 203 HB3 ALA 22 HB3 ALA 22 -10.827 -8.479 -0.851 204 H LEU 23 H LEU 23 -7.676 -7.093 1.178 205 HA LEU 23 HA LEU 23 -9.106 -7.634 3.486 206 HB2 LEU 23 HB2 LEU 23 -6.220 -6.997 2.993 207 HB3 LEU 23 HB3 LEU 23 -6.817 -7.114 4.629 208 HG LEU 23 HG LEU 23 -5.955 -9.298 3.741 209 HD11 LEU 23 HD11 LEU 23 -8.871 -9.686 4.200 210 HD12 LEU 23 HD12 LEU 23 -7.910 -8.952 5.483 211 HD13 LEU 23 HD13 LEU 23 -7.498 -10.554 4.863 212 HD21 LEU 23 HD21 LEU 23 -8.426 -9.170 1.970 213 HD22 LEU 23 HD22 LEU 23 -7.321 -10.526 2.141 214 HD23 LEU 23 HD23 LEU 23 -6.754 -9.039 1.384 215 H LEU 24 H LEU 24 -8.164 -4.497 2.353 216 HA LEU 24 HA LEU 24 -8.043 -3.225 4.855 217 HB2 LEU 24 HB2 LEU 24 -8.819 -1.163 3.204 218 HB3 LEU 24 HB3 LEU 24 -7.166 -1.681 3.502 219 HG LEU 24 HG LEU 24 -8.845 -2.979 1.317 220 HD11 LEU 24 HD11 LEU 24 -8.432 -1.371 -0.179 221 HD12 LEU 24 HD12 LEU 24 -6.929 -0.851 0.640 222 HD13 LEU 24 HD13 LEU 24 -8.481 -0.336 1.253 223 HD21 LEU 24 HD21 LEU 24 -6.057 -2.657 0.754 224 HD22 LEU 24 HD22 LEU 24 -6.987 -4.123 0.989 225 HD23 LEU 24 HD23 LEU 24 -6.195 -3.358 2.370 226 H GLU 25 H GLU 25 -10.685 -4.697 3.911 227 HA GLU 25 HA GLU 25 -12.870 -4.613 4.574 228 HB2 GLU 25 HB2 GLU 25 -11.865 -2.453 6.455 229 HB3 GLU 25 HB3 GLU 25 -13.393 -3.301 6.568 230 HG2 GLU 25 HG2 GLU 25 -12.269 -5.450 6.845 231 HG3 GLU 25 HG3 GLU 25 -10.707 -4.667 6.602 232 H VAL 26 H VAL 26 -11.915 -2.913 2.412 233 HA VAL 26 HA VAL 26 -14.264 -1.162 2.236 234 HB VAL 26 HB VAL 26 -12.928 0.504 0.992 235 HG11 VAL 26 HG11 VAL 26 -11.706 1.463 2.910 236 HG12 VAL 26 HG12 VAL 26 -11.816 -0.070 3.770 237 HG13 VAL 26 HG13 VAL 26 -13.273 0.843 3.399 238 HG21 VAL 26 HG21 VAL 26 -10.541 -1.145 1.902 239 HG22 VAL 26 HG22 VAL 26 -10.464 0.384 1.024 240 HG23 VAL 26 HG23 VAL 26 -11.125 -1.045 0.239 241 H SER 27 H SER 27 -14.899 -0.849 -0.035 242 HA SER 27 HA SER 27 -14.694 -3.279 -1.474 243 HB2 SER 27 HB2 SER 27 -15.490 -1.554 -3.381 244 HB3 SER 27 HB3 SER 27 -16.567 -2.166 -2.140 245 HG SER 27 HG SER 27 -15.132 0.281 -2.268 246 H ARG 28 H ARG 28 -13.187 -3.960 -2.873 247 HA ARG 28 HA ARG 28 -10.694 -2.701 -2.925 248 HB2 ARG 28 HB2 ARG 28 -11.173 -5.115 -3.322 249 HB3 ARG 28 HB3 ARG 28 -11.587 -4.699 -5.012 250 HG2 ARG 28 HG2 ARG 28 -9.216 -3.454 -4.887 251 HG3 ARG 28 HG3 ARG 28 -9.065 -4.524 -3.494 252 HD2 ARG 28 HD2 ARG 28 -8.178 -5.947 -5.076 253 HD3 ARG 28 HD3 ARG 28 -9.870 -6.385 -5.186 254 HE ARG 28 HE ARG 28 -9.330 -4.235 -6.979 255 HH11 ARG 28 HH11 ARG 28 -8.762 -7.646 -6.490 256 HH12 ARG 28 HH12 ARG 28 -8.618 -8.019 -8.145 257 HH21 ARG 28 HH21 ARG 28 -9.140 -4.702 -9.204 258 HH22 ARG 28 HH22 ARG 28 -8.829 -6.285 -9.737 259 H GLN 29 H GLN 29 -13.264 -2.828 -5.336 260 HA GLN 29 HA GLN 29 -11.956 -1.562 -7.407 261 HB2 GLN 29 HB2 GLN 29 -14.473 -0.514 -7.760 262 HB3 GLN 29 HB3 GLN 29 -13.947 -2.094 -8.275 263 HG2 GLN 29 HG2 GLN 29 -14.864 -3.192 -6.411 264 HG3 GLN 29 HG3 GLN 29 -15.061 -1.701 -5.483 265 HE21 GLN 29 HE21 GLN 29 -16.839 -3.958 -7.064 266 HE22 GLN 29 HE22 GLN 29 -18.124 -3.009 -7.615 267 H THR 30 H THR 30 -13.503 -0.124 -4.574 268 HA THR 30 HA THR 30 -13.195 2.560 -5.363 269 HB THR 30 HB THR 30 -13.035 2.589 -2.607 270 HG1 THR 30 HG1 THR 30 -13.240 0.296 -2.548 271 HG21 THR 30 HG21 THR 30 -15.432 2.447 -4.449 272 HG22 THR 30 HG22 THR 30 -14.597 3.893 -3.888 273 HG23 THR 30 HG23 THR 30 -15.512 2.909 -2.752 274 H ILE 31 H ILE 31 -11.070 0.371 -3.509 275 HA ILE 31 HA ILE 31 -9.083 2.366 -3.130 276 HB ILE 31 HB ILE 31 -9.408 -0.004 -1.955 277 HG12 ILE 31 HG12 ILE 31 -7.808 1.714 -1.213 278 HG13 ILE 31 HG13 ILE 31 -7.043 0.127 -1.184 279 HG21 ILE 31 HG21 ILE 31 -7.066 -0.952 -3.444 280 HG22 ILE 31 HG22 ILE 31 -8.525 -0.983 -4.408 281 HG23 ILE 31 HG23 ILE 31 -8.467 -1.816 -2.866 282 HD11 ILE 31 HD11 ILE 31 -6.557 2.421 -3.027 283 HD12 ILE 31 HD12 ILE 31 -6.298 0.790 -3.646 284 HD13 ILE 31 HD13 ILE 31 -5.401 1.328 -2.248 285 H ASN 32 H ASN 32 -9.756 0.004 -5.597 286 HA ASN 32 HA ASN 32 -7.427 0.375 -7.164 287 HB2 ASN 32 HB2 ASN 32 -10.200 -0.606 -7.730 288 HB3 ASN 32 HB3 ASN 32 -9.182 -0.207 -9.089 289 HD21 ASN 32 HD21 ASN 32 -6.814 -1.216 -8.812 290 HD22 ASN 32 HD22 ASN 32 -6.800 -2.838 -8.315 291 H GLY 33 H GLY 33 -10.576 1.984 -7.144 292 HA2 GLY 33 HA2 GLY 33 -9.956 3.897 -9.211 293 HA3 GLY 33 HA3 GLY 33 -11.288 3.979 -8.073 294 H ILE 34 H ILE 34 -10.148 4.127 -5.650 295 HA ILE 34 HA ILE 34 -9.442 6.772 -5.657 296 HB ILE 34 HB ILE 34 -9.818 4.781 -3.506 297 HG12 ILE 34 HG12 ILE 34 -11.220 6.899 -2.744 298 HG13 ILE 34 HG13 ILE 34 -10.850 7.470 -4.344 299 HG21 ILE 34 HG21 ILE 34 -7.711 5.858 -2.791 300 HG22 ILE 34 HG22 ILE 34 -9.078 6.205 -1.775 301 HG23 ILE 34 HG23 ILE 34 -8.499 7.442 -2.914 302 HD11 ILE 34 HD11 ILE 34 -11.814 5.521 -5.383 303 HD12 ILE 34 HD12 ILE 34 -12.999 6.298 -4.341 304 HD13 ILE 34 HD13 ILE 34 -12.199 4.829 -3.798 305 H GLU 35 H GLU 35 -7.283 4.012 -5.170 306 HA GLU 35 HA GLU 35 -5.061 5.718 -4.654 307 HB2 GLU 35 HB2 GLU 35 -5.233 3.086 -4.415 308 HB3 GLU 35 HB3 GLU 35 -4.653 3.107 -6.078 309 HG2 GLU 35 HG2 GLU 35 -3.176 4.914 -4.260 310 HG3 GLU 35 HG3 GLU 35 -3.040 3.237 -3.835 311 H LYS 36 H LYS 36 -6.769 4.618 -7.406 312 HA LYS 36 HA LYS 36 -4.930 5.593 -9.372 313 HB2 LYS 36 HB2 LYS 36 -6.489 3.698 -9.796 314 HB3 LYS 36 HB3 LYS 36 -7.843 4.829 -9.743 315 HG2 LYS 36 HG2 LYS 36 -6.834 6.095 -11.667 316 HG3 LYS 36 HG3 LYS 36 -5.506 4.936 -11.665 317 HD2 LYS 36 HD2 LYS 36 -7.091 3.096 -12.181 318 HD3 LYS 36 HD3 LYS 36 -8.417 4.240 -12.102 319 HE2 LYS 36 HE2 LYS 36 -7.548 3.694 -14.444 320 HE3 LYS 36 HE3 LYS 36 -7.709 5.404 -14.056 321 HZ1 LYS 36 HZ1 LYS 36 -5.475 5.683 -14.262 322 HZ2 LYS 36 HZ2 LYS 36 -5.475 4.167 -14.974 323 HZ3 LYS 36 HZ3 LYS 36 -5.120 4.288 -13.356 324 H ASN 37 H ASN 37 -5.189 7.626 -7.694 325 HA ASN 37 HA ASN 37 -5.131 9.916 -8.375 326 HB2 ASN 37 HB2 ASN 37 -6.316 9.342 -10.555 327 HB3 ASN 37 HB3 ASN 37 -7.801 9.612 -9.601 328 HD21 ASN 37 HD21 ASN 37 -8.420 11.512 -10.735 329 HD22 ASN 37 HD22 ASN 37 -7.571 12.974 -10.581 330 H LYS 38 H LYS 38 -6.875 8.398 -6.118 331 HA LYS 38 HA LYS 38 -8.110 10.986 -5.348 332 HB2 LYS 38 HB2 LYS 38 -8.920 8.210 -4.636 333 HB3 LYS 38 HB3 LYS 38 -9.556 9.605 -3.805 334 HG2 LYS 38 HG2 LYS 38 -9.720 9.274 -6.826 335 HG3 LYS 38 HG3 LYS 38 -11.044 8.804 -5.784 336 HD2 LYS 38 HD2 LYS 38 -9.816 11.555 -5.756 337 HD3 LYS 38 HD3 LYS 38 -11.158 11.116 -6.785 338 HE2 LYS 38 HE2 LYS 38 -12.646 11.351 -5.130 339 HE3 LYS 38 HE3 LYS 38 -11.783 10.222 -4.095 340 HZ1 LYS 38 HZ1 LYS 38 -11.412 12.041 -2.819 341 HZ2 LYS 38 HZ2 LYS 38 -11.827 13.098 -4.041 342 HZ3 LYS 38 HZ3 LYS 38 -10.260 12.513 -3.956 343 H TYR 39 H TYR 39 -6.754 8.101 -3.755 344 HA TYR 39 HA TYR 39 -5.065 9.886 -2.178 345 HB2 TYR 39 HB2 TYR 39 -6.684 7.922 -0.596 346 HB3 TYR 39 HB3 TYR 39 -5.877 9.377 -0.049 347 HD1 TYR 39 HD1 TYR 39 -6.840 11.675 -0.969 348 HD2 TYR 39 HD2 TYR 39 -8.986 7.957 -1.015 349 HE1 TYR 39 HE1 TYR 39 -8.988 12.893 -1.250 350 HE2 TYR 39 HE2 TYR 39 -11.101 9.159 -1.294 351 HH TYR 39 HH TYR 39 -11.776 11.845 -0.604 352 H ASN 40 H ASN 40 -3.263 8.817 -1.381 353 HA ASN 40 HA ASN 40 -2.779 6.063 -2.214 354 HB2 ASN 40 HB2 ASN 40 -0.866 7.615 -2.264 355 HB3 ASN 40 HB3 ASN 40 -1.148 8.035 -0.580 356 HD21 ASN 40 HD21 ASN 40 -0.626 6.399 1.083 357 HD22 ASN 40 HD22 ASN 40 0.384 5.097 0.697 358 HA PRO 41 HA PRO 41 -4.683 4.503 1.411 359 HB2 PRO 41 HB2 PRO 41 -2.324 2.707 1.787 360 HB3 PRO 41 HB3 PRO 41 -4.048 2.314 1.794 361 HG2 PRO 41 HG2 PRO 41 -2.609 1.742 -0.322 362 HG3 PRO 41 HG3 PRO 41 -4.248 2.424 -0.482 363 HD2 PRO 41 HD2 PRO 41 -1.603 3.789 -0.916 364 HD3 PRO 41 HD3 PRO 41 -3.147 4.023 -1.767 365 H SER 42 H SER 42 -4.743 5.119 3.531 366 HA SER 42 HA SER 42 -2.670 6.741 4.628 367 HB2 SER 42 HB2 SER 42 -4.932 5.644 6.272 368 HB3 SER 42 HB3 SER 42 -4.184 7.225 6.286 369 HG SER 42 HG SER 42 -5.097 7.548 4.150 370 H LEU 43 H LEU 43 -1.688 6.241 6.795 371 HA LEU 43 HA LEU 43 -0.411 3.733 6.689 372 HB2 LEU 43 HB2 LEU 43 -0.523 5.904 8.758 373 HB3 LEU 43 HB3 LEU 43 0.168 4.349 9.181 374 HG LEU 43 HG LEU 43 1.846 4.492 7.480 375 HD11 LEU 43 HD11 LEU 43 0.908 5.246 5.534 376 HD12 LEU 43 HD12 LEU 43 1.828 6.666 6.016 377 HD13 LEU 43 HD13 LEU 43 0.101 6.611 6.310 378 HD21 LEU 43 HD21 LEU 43 2.977 5.876 8.868 379 HD22 LEU 43 HD22 LEU 43 1.509 6.712 9.360 380 HD23 LEU 43 HD23 LEU 43 2.394 7.209 7.910 381 H GLN 44 H GLN 44 -3.101 4.857 8.674 382 HA GLN 44 HA GLN 44 -3.417 2.459 10.158 383 HB2 GLN 44 HB2 GLN 44 -5.474 4.594 9.446 384 HB3 GLN 44 HB3 GLN 44 -5.743 3.270 10.570 385 HG2 GLN 44 HG2 GLN 44 -3.920 4.004 12.002 386 HG3 GLN 44 HG3 GLN 44 -3.502 5.289 10.874 387 HE21 GLN 44 HE21 GLN 44 -3.983 6.355 13.235 388 HE22 GLN 44 HE22 GLN 44 -5.551 6.983 13.372 389 H LEU 45 H LEU 45 -4.715 3.584 7.121 390 HA LEU 45 HA LEU 45 -6.295 1.301 6.456 391 HB2 LEU 45 HB2 LEU 45 -6.647 3.349 5.260 392 HB3 LEU 45 HB3 LEU 45 -4.952 3.452 4.796 393 HG LEU 45 HG LEU 45 -5.205 1.459 3.369 394 HD11 LEU 45 HD11 LEU 45 -7.493 0.600 2.989 395 HD12 LEU 45 HD12 LEU 45 -8.012 1.441 4.471 396 HD13 LEU 45 HD13 LEU 45 -6.763 0.169 4.531 397 HD21 LEU 45 HD21 LEU 45 -7.625 2.988 2.570 398 HD22 LEU 45 HD22 LEU 45 -6.183 2.607 1.638 399 HD23 LEU 45 HD23 LEU 45 -6.166 3.947 2.780 400 H ALA 46 H ALA 46 -3.000 2.303 5.784 401 HA ALA 46 HA ALA 46 -2.222 0.103 4.241 402 HB1 ALA 46 HB1 ALA 46 -0.353 1.669 5.982 403 HB2 ALA 46 HB2 ALA 46 -1.052 2.319 4.489 404 HB3 ALA 46 HB3 ALA 46 -0.037 0.875 4.435 405 H LEU 47 H LEU 47 -2.521 0.458 7.700 406 HA LEU 47 HA LEU 47 -0.784 -1.626 8.443 407 HB2 LEU 47 HB2 LEU 47 -3.375 -0.745 9.744 408 HB3 LEU 47 HB3 LEU 47 -2.308 -1.939 10.439 409 HG LEU 47 HG LEU 47 -1.410 0.886 9.750 410 HD11 LEU 47 HD11 LEU 47 -2.101 -0.248 12.458 411 HD12 LEU 47 HD12 LEU 47 -3.178 0.799 11.543 412 HD13 LEU 47 HD13 LEU 47 -1.618 1.403 12.092 413 HD21 LEU 47 HD21 LEU 47 0.637 0.180 10.334 414 HD22 LEU 47 HD22 LEU 47 0.056 -1.481 10.345 415 HD23 LEU 47 HD23 LEU 47 0.033 -0.543 11.824 416 H LYS 48 H LYS 48 -4.160 -1.695 7.399 417 HA LYS 48 HA LYS 48 -4.291 -4.559 7.629 418 HB2 LYS 48 HB2 LYS 48 -6.065 -2.574 6.205 419 HB3 LYS 48 HB3 LYS 48 -6.366 -4.303 6.181 420 HG2 LYS 48 HG2 LYS 48 -6.223 -2.551 8.669 421 HG3 LYS 48 HG3 LYS 48 -7.689 -3.195 7.934 422 HD2 LYS 48 HD2 LYS 48 -5.955 -5.447 8.342 423 HD3 LYS 48 HD3 LYS 48 -5.921 -4.485 9.818 424 HE2 LYS 48 HE2 LYS 48 -8.324 -5.692 8.433 425 HE3 LYS 48 HE3 LYS 48 -7.713 -6.056 10.032 426 HZ1 LYS 48 HZ1 LYS 48 -8.735 -4.253 10.909 427 HZ2 LYS 48 HZ2 LYS 48 -9.714 -4.409 9.573 428 HZ3 LYS 48 HZ3 LYS 48 -8.479 -3.242 9.597 429 H ILE 49 H ILE 49 -3.908 -2.335 4.880 430 HA ILE 49 HA ILE 49 -3.641 -4.550 3.110 431 HB ILE 49 HB ILE 49 -4.105 -3.119 1.505 432 HG12 ILE 49 HG12 ILE 49 -1.681 -1.458 2.320 433 HG13 ILE 49 HG13 ILE 49 -1.724 -2.743 1.097 434 HG21 ILE 49 HG21 ILE 49 -5.130 -1.844 3.526 435 HG22 ILE 49 HG22 ILE 49 -4.935 -0.986 2.018 436 HG23 ILE 49 HG23 ILE 49 -3.786 -0.717 3.308 437 HD11 ILE 49 HD11 ILE 49 -3.736 -1.192 0.190 438 HD12 ILE 49 HD12 ILE 49 -2.053 -0.983 -0.313 439 HD13 ILE 49 HD13 ILE 49 -2.748 0.032 0.971 440 H ALA 50 H ALA 50 -1.215 -2.395 4.517 441 HA ALA 50 HA ALA 50 0.957 -3.463 3.063 442 HB1 ALA 50 HB1 ALA 50 1.192 -1.334 4.225 443 HB2 ALA 50 HB2 ALA 50 2.375 -2.495 4.853 444 HB3 ALA 50 HB3 ALA 50 0.954 -2.123 5.789 445 H TYR 51 H TYR 51 -0.545 -4.381 6.099 446 HA TYR 51 HA TYR 51 1.363 -6.252 6.959 447 HB2 TYR 51 HB2 TYR 51 -0.483 -5.487 8.397 448 HB3 TYR 51 HB3 TYR 51 -1.648 -6.304 7.356 449 HD1 TYR 51 HD1 TYR 51 1.326 -6.884 9.552 450 HD2 TYR 51 HD2 TYR 51 -2.134 -8.609 7.648 451 HE1 TYR 51 HE1 TYR 51 1.667 -8.949 10.814 452 HE2 TYR 51 HE2 TYR 51 -1.783 -10.694 8.924 453 HH TYR 51 HH TYR 51 1.006 -11.486 10.382 454 H TYR 52 H TYR 52 -1.536 -6.621 4.973 455 HA TYR 52 HA TYR 52 -0.950 -9.343 4.281 456 HB2 TYR 52 HB2 TYR 52 -2.903 -7.324 3.211 457 HB3 TYR 52 HB3 TYR 52 -2.641 -8.853 2.383 458 HD1 TYR 52 HD1 TYR 52 -2.923 -11.027 3.630 459 HD2 TYR 52 HD2 TYR 52 -4.195 -7.278 5.280 460 HE1 TYR 52 HE1 TYR 52 -4.330 -12.212 5.255 461 HE2 TYR 52 HE2 TYR 52 -5.602 -8.463 6.906 462 HH TYR 52 HH TYR 52 -5.316 -11.641 7.635 463 H LEU 53 H LEU 53 -0.125 -6.217 2.999 464 HA LEU 53 HA LEU 53 0.905 -7.099 0.543 465 HB2 LEU 53 HB2 LEU 53 0.460 -4.651 1.403 466 HB3 LEU 53 HB3 LEU 53 2.097 -4.768 2.026 467 HG LEU 53 HG LEU 53 1.353 -3.950 -0.547 468 HD11 LEU 53 HD11 LEU 53 3.380 -3.177 -0.516 469 HD12 LEU 53 HD12 LEU 53 4.074 -4.788 -0.529 470 HD13 LEU 53 HD13 LEU 53 3.656 -4.016 1.010 471 HD21 LEU 53 HD21 LEU 53 2.309 -5.581 -2.082 472 HD22 LEU 53 HD22 LEU 53 1.027 -6.390 -1.215 473 HD23 LEU 53 HD23 LEU 53 2.700 -6.690 -0.786 474 H ASN 54 H ASN 54 1.788 -8.423 3.297 475 HA ASN 54 HA ASN 54 3.669 -9.445 4.102 476 HB2 ASN 54 HB2 ASN 54 4.304 -9.138 1.178 477 HB3 ASN 54 HB3 ASN 54 5.463 -9.818 2.288 478 HD21 ASN 54 HD21 ASN 54 2.283 -10.386 0.786 479 HD22 ASN 54 HD22 ASN 54 2.152 -11.997 1.268 480 H THR 55 H THR 55 3.439 -6.573 4.324 481 HA THR 55 HA THR 55 6.253 -5.981 4.691 482 HB THR 55 HB THR 55 4.695 -5.172 2.511 483 HG1 THR 55 HG1 THR 55 7.260 -4.248 3.341 484 HG21 THR 55 HG21 THR 55 5.192 -2.640 2.626 485 HG22 THR 55 HG22 THR 55 5.324 -2.863 4.372 486 HG23 THR 55 HG23 THR 55 3.824 -3.251 3.551 487 HA PRO 56 HA PRO 56 4.323 -4.162 8.343 488 HB2 PRO 56 HB2 PRO 56 6.557 -3.068 9.447 489 HB3 PRO 56 HB3 PRO 56 6.199 -4.804 9.516 490 HG2 PRO 56 HG2 PRO 56 8.014 -3.359 7.635 491 HG3 PRO 56 HG3 PRO 56 8.273 -4.876 8.528 492 HD2 PRO 56 HD2 PRO 56 7.583 -4.928 5.958 493 HD3 PRO 56 HD3 PRO 56 6.963 -6.147 7.095 494 H LEU 57 H LEU 57 3.833 -2.064 9.094 495 HA LEU 57 HA LEU 57 3.480 -0.013 7.191 496 HB2 LEU 57 HB2 LEU 57 2.419 -0.418 9.560 497 HB3 LEU 57 HB3 LEU 57 3.761 0.557 10.145 498 HG LEU 57 HG LEU 57 1.752 1.938 9.740 499 HD11 LEU 57 HD11 LEU 57 3.411 2.885 7.524 500 HD12 LEU 57 HD12 LEU 57 4.290 2.578 9.029 501 HD13 LEU 57 HD13 LEU 57 2.922 3.672 9.015 502 HD21 LEU 57 HD21 LEU 57 0.737 2.143 7.632 503 HD22 LEU 57 HD22 LEU 57 0.942 0.412 7.829 504 HD23 LEU 57 HD23 LEU 57 2.041 1.334 6.786 505 H GLU 58 H GLU 58 6.019 -0.856 9.335 506 HA GLU 58 HA GLU 58 7.573 1.474 9.289 507 HB2 GLU 58 HB2 GLU 58 8.303 -1.437 9.684 508 HB3 GLU 58 HB3 GLU 58 9.423 -0.112 9.926 509 HG2 GLU 58 HG2 GLU 58 8.017 0.891 11.600 510 HG3 GLU 58 HG3 GLU 58 6.726 -0.266 11.301 511 H ASP 59 H ASP 59 7.066 -0.972 6.824 512 HA ASP 59 HA ASP 59 9.504 -0.488 5.443 513 HB2 ASP 59 HB2 ASP 59 6.890 -1.712 4.660 514 HB3 ASP 59 HB3 ASP 59 8.042 -1.293 3.411 515 H ILE 60 H ILE 60 6.396 1.058 5.475 516 HA ILE 60 HA ILE 60 7.335 2.962 3.455 517 HB ILE 60 HB ILE 60 5.033 3.860 3.499 518 HG12 ILE 60 HG12 ILE 60 4.407 1.413 5.200 519 HG13 ILE 60 HG13 ILE 60 4.458 3.051 5.831 520 HG21 ILE 60 HG21 ILE 60 5.724 2.159 1.847 521 HG22 ILE 60 HG22 ILE 60 4.024 1.976 2.282 522 HG23 ILE 60 HG23 ILE 60 5.229 0.877 2.956 523 HD11 ILE 60 HD11 ILE 60 2.351 1.714 4.357 524 HD12 ILE 60 HD12 ILE 60 2.790 3.237 3.587 525 HD13 ILE 60 HD13 ILE 60 2.285 3.212 5.280 526 H PHE 61 H PHE 61 6.315 2.824 6.829 527 HA PHE 61 HA PHE 61 7.452 5.535 7.134 528 HB2 PHE 61 HB2 PHE 61 4.815 4.524 8.079 529 HB3 PHE 61 HB3 PHE 61 5.649 5.730 9.047 530 HD1 PHE 61 HD1 PHE 61 4.255 5.029 5.652 531 HD2 PHE 61 HD2 PHE 61 5.831 8.006 8.330 532 HE1 PHE 61 HE1 PHE 61 3.533 6.816 4.109 533 HE2 PHE 61 HE2 PHE 61 5.098 9.780 6.781 534 HZ PHE 61 HZ PHE 61 3.945 9.186 4.661 535 H GLN 62 H GLN 62 9.081 3.358 7.621 536 HA GLN 62 HA GLN 62 9.232 2.843 10.456 537 HB2 GLN 62 HB2 GLN 62 11.668 2.305 9.961 538 HB3 GLN 62 HB3 GLN 62 10.539 1.306 9.050 539 HG2 GLN 62 HG2 GLN 62 10.821 3.203 7.206 540 HG3 GLN 62 HG3 GLN 62 12.282 3.575 8.113 541 HE21 GLN 62 HE21 GLN 62 10.623 0.822 6.591 542 HE22 GLN 62 HE22 GLN 62 12.040 -0.018 6.159 543 H TRP 63 H TRP 63 10.375 5.259 8.269 544 HA TRP 63 HA TRP 63 11.367 6.916 10.509 545 HB2 TRP 63 HB2 TRP 63 13.226 6.319 9.024 546 HB3 TRP 63 HB3 TRP 63 12.301 6.791 7.610 547 HD1 TRP 63 HD1 TRP 63 13.447 8.476 10.923 548 HE1 TRP 63 HE1 TRP 63 14.171 10.895 10.378 549 HE3 TRP 63 HE3 TRP 63 12.483 8.554 5.909 550 HZ2 TRP 63 HZ2 TRP 63 14.327 12.625 8.069 551 HZ3 TRP 63 HZ3 TRP 63 12.933 10.579 4.575 552 HH2 TRP 63 HH2 TRP 63 13.854 12.612 5.646 553 H GLN 64 H GLN 64 11.185 8.502 7.537 554 HA GLN 64 HA GLN 64 9.881 10.272 6.837 555 HB2 GLN 64 HB2 GLN 64 7.773 8.157 7.265 556 HB3 GLN 64 HB3 GLN 64 7.658 9.510 6.145 557 HG2 GLN 64 HG2 GLN 64 9.788 7.332 6.013 558 HG3 GLN 64 HG3 GLN 64 8.332 7.352 5.046 559 HE21 GLN 64 HE21 GLN 64 8.230 10.163 4.433 560 HE22 GLN 64 HE22 GLN 64 9.562 10.523 3.445 561 HA PRO 65 HA PRO 65 8.457 11.729 11.082 562 HB2 PRO 65 HB2 PRO 65 9.705 14.167 9.910 563 HB3 PRO 65 HB3 PRO 65 9.826 13.511 11.549 564 HG2 PRO 65 HG2 PRO 65 11.847 13.263 9.881 565 HG3 PRO 65 HG3 PRO 65 11.406 11.917 10.954 566 HD2 PRO 65 HD2 PRO 65 10.909 12.189 8.002 567 HD3 PRO 65 HD3 PRO 65 11.295 10.751 8.980 568 H GLU 66 H GLU 66 6.610 12.938 11.438 569 HA GLU 66 HA GLU 66 5.109 13.749 9.065 570 HB2 GLU 66 HB2 GLU 66 4.309 13.090 11.887 571 HB3 GLU 66 HB3 GLU 66 3.164 13.704 10.683 572 HG2 GLU 66 HG2 GLU 66 3.666 11.835 9.196 573 HG3 GLU 66 HG3 GLU 66 4.895 11.238 10.291 Start of MODEL 18 1 H1 MET 1 H1 MET 1 10.792 9.347 0.057 2 HA MET 1 HA MET 1 8.648 8.541 -0.409 3 HB2 MET 1 HB2 MET 1 8.941 10.120 -2.987 4 HB3 MET 1 HB3 MET 1 7.523 9.203 -2.512 5 HG2 MET 1 HG2 MET 1 7.214 10.566 -0.521 6 HG3 MET 1 HG3 MET 1 8.703 11.433 -0.830 7 HE1 MET 1 HE1 MET 1 4.739 11.675 -3.067 8 HE2 MET 1 HE2 MET 1 5.303 10.444 -1.924 9 HE3 MET 1 HE3 MET 1 5.824 10.413 -3.609 10 H ILE 2 H ILE 2 11.457 7.658 -1.523 11 HA ILE 2 HA ILE 2 11.017 6.206 -3.868 12 HB ILE 2 HB ILE 2 13.012 5.745 -1.630 13 HG12 ILE 2 HG12 ILE 2 13.414 6.956 -4.387 14 HG13 ILE 2 HG13 ILE 2 13.084 7.941 -2.956 15 HG21 ILE 2 HG21 ILE 2 12.765 3.664 -2.954 16 HG22 ILE 2 HG22 ILE 2 14.287 4.453 -3.345 17 HG23 ILE 2 HG23 ILE 2 12.925 4.601 -4.442 18 HD11 ILE 2 HD11 ILE 2 15.090 6.537 -1.943 19 HD12 ILE 2 HD12 ILE 2 15.408 7.935 -2.972 20 HD13 ILE 2 HD13 ILE 2 15.494 6.302 -3.634 21 H ILE 3 H ILE 3 10.755 5.237 -0.495 22 HA ILE 3 HA ILE 3 9.694 2.610 -1.277 23 HB ILE 3 HB ILE 3 9.865 2.218 1.269 24 HG12 ILE 3 HG12 ILE 3 11.493 3.600 2.414 25 HG13 ILE 3 HG13 ILE 3 11.688 4.647 0.997 26 HG21 ILE 3 HG21 ILE 3 12.309 1.763 1.050 27 HG22 ILE 3 HG22 ILE 3 12.314 2.674 -0.468 28 HG23 ILE 3 HG23 ILE 3 11.383 1.195 -0.335 29 HD11 ILE 3 HD11 ILE 3 10.071 5.297 2.994 30 HD12 ILE 3 HD12 ILE 3 8.936 4.251 2.153 31 HD13 ILE 3 HD13 ILE 3 9.606 5.643 1.325 32 H ASN 4 H ASN 4 8.443 5.517 -0.944 33 HA ASN 4 HA ASN 4 6.199 4.874 0.795 34 HB2 ASN 4 HB2 ASN 4 7.193 7.189 0.608 35 HB3 ASN 4 HB3 ASN 4 6.495 7.297 -1.001 36 HD21 ASN 4 HD21 ASN 4 5.610 9.152 0.887 37 HD22 ASN 4 HD22 ASN 4 4.028 8.786 1.375 38 H ASN 5 H ASN 5 4.023 5.006 0.061 39 HA ASN 5 HA ASN 5 2.275 4.502 -1.265 40 HB2 ASN 5 HB2 ASN 5 4.004 5.651 -3.202 41 HB3 ASN 5 HB3 ASN 5 3.428 4.138 -3.877 42 HD21 ASN 5 HD21 ASN 5 2.517 7.391 -3.369 43 HD22 ASN 5 HD22 ASN 5 0.870 7.173 -3.658 44 H LEU 6 H LEU 6 1.279 2.647 -1.662 45 HA LEU 6 HA LEU 6 2.635 0.280 -1.088 46 HB2 LEU 6 HB2 LEU 6 -0.140 0.899 -2.014 47 HB3 LEU 6 HB3 LEU 6 0.424 -0.752 -2.160 48 HG LEU 6 HG LEU 6 -0.753 -0.198 0.007 49 HD11 LEU 6 HD11 LEU 6 1.125 -1.321 1.401 50 HD12 LEU 6 HD12 LEU 6 2.021 -1.353 -0.123 51 HD13 LEU 6 HD13 LEU 6 0.464 -2.172 0.005 52 HD21 LEU 6 HD21 LEU 6 1.804 0.988 1.021 53 HD22 LEU 6 HD22 LEU 6 0.158 1.234 1.574 54 HD23 LEU 6 HD23 LEU 6 0.711 2.067 0.136 55 H LYS 7 H LYS 7 1.667 1.658 -4.162 56 HA LYS 7 HA LYS 7 1.972 -0.539 -5.819 57 HB2 LYS 7 HB2 LYS 7 3.201 1.714 -7.167 58 HB3 LYS 7 HB3 LYS 7 1.657 0.947 -7.450 59 HG2 LYS 7 HG2 LYS 7 2.095 3.066 -5.312 60 HG3 LYS 7 HG3 LYS 7 1.573 3.384 -6.951 61 HD2 LYS 7 HD2 LYS 7 -0.331 1.673 -6.497 62 HD3 LYS 7 HD3 LYS 7 0.079 1.885 -4.799 63 HE2 LYS 7 HE2 LYS 7 -0.085 4.483 -6.075 64 HE3 LYS 7 HE3 LYS 7 -1.548 3.544 -6.362 65 HZ1 LYS 7 HZ1 LYS 7 -0.298 4.309 -3.816 66 HZ2 LYS 7 HZ2 LYS 7 -1.465 3.062 -3.862 67 HZ3 LYS 7 HZ3 LYS 7 -1.863 4.651 -4.349 68 H LEU 8 H LEU 8 4.395 1.813 -4.873 69 HA LEU 8 HA LEU 8 6.485 0.734 -6.382 70 HB2 LEU 8 HB2 LEU 8 6.416 2.626 -4.034 71 HB3 LEU 8 HB3 LEU 8 7.944 2.065 -4.652 72 HG LEU 8 HG LEU 8 7.329 4.189 -5.733 73 HD11 LEU 8 HD11 LEU 8 8.326 1.970 -6.998 74 HD12 LEU 8 HD12 LEU 8 8.201 3.570 -7.702 75 HD13 LEU 8 HD13 LEU 8 6.955 2.382 -8.031 76 HD21 LEU 8 HD21 LEU 8 4.805 3.740 -5.594 77 HD22 LEU 8 HD22 LEU 8 5.017 2.706 -7.012 78 HD23 LEU 8 HD23 LEU 8 5.384 4.433 -7.094 79 H ILE 9 H ILE 9 5.601 0.300 -3.008 80 HA ILE 9 HA ILE 9 7.744 -1.513 -2.444 81 HB ILE 9 HB ILE 9 5.132 -1.169 -0.941 82 HG12 ILE 9 HG12 ILE 9 6.372 0.984 -1.148 83 HG13 ILE 9 HG13 ILE 9 6.468 0.379 0.489 84 HG21 ILE 9 HG21 ILE 9 5.970 -2.935 0.237 85 HG22 ILE 9 HG22 ILE 9 7.209 -1.807 0.802 86 HG23 ILE 9 HG23 ILE 9 7.535 -2.835 -0.574 87 HD11 ILE 9 HD11 ILE 9 8.662 -0.833 -0.616 88 HD12 ILE 9 HD12 ILE 9 8.670 0.693 0.266 89 HD13 ILE 9 HD13 ILE 9 8.601 0.699 -1.497 90 H ARG 10 H ARG 10 4.343 -1.887 -3.278 91 HA ARG 10 HA ARG 10 4.093 -4.612 -2.856 92 HB2 ARG 10 HB2 ARG 10 2.206 -3.079 -3.236 93 HB3 ARG 10 HB3 ARG 10 2.687 -2.929 -4.930 94 HG2 ARG 10 HG2 ARG 10 2.458 -5.366 -5.176 95 HG3 ARG 10 HG3 ARG 10 1.849 -5.491 -3.538 96 HD2 ARG 10 HD2 ARG 10 -0.059 -5.396 -5.060 97 HD3 ARG 10 HD3 ARG 10 0.006 -3.949 -4.081 98 HE ARG 10 HE ARG 10 0.348 -2.713 -5.988 99 HH11 ARG 10 HH11 ARG 10 1.291 -6.062 -6.598 100 HH12 ARG 10 HH12 ARG 10 1.466 -5.815 -8.284 101 HH21 ARG 10 HH21 ARG 10 0.589 -2.442 -8.234 102 HH22 ARG 10 HH22 ARG 10 1.039 -3.771 -9.237 103 H GLU 11 H GLU 11 4.989 -2.906 -5.834 104 HA GLU 11 HA GLU 11 5.009 -5.165 -7.468 105 HB2 GLU 11 HB2 GLU 11 6.272 -3.846 -9.040 106 HB3 GLU 11 HB3 GLU 11 5.049 -2.822 -8.317 107 HG2 GLU 11 HG2 GLU 11 6.685 -1.862 -6.777 108 HG3 GLU 11 HG3 GLU 11 7.943 -2.940 -7.373 109 H LYS 12 H LYS 12 7.433 -3.830 -5.372 110 HA LYS 12 HA LYS 12 9.674 -5.196 -6.370 111 HB2 LYS 12 HB2 LYS 12 9.174 -4.302 -3.512 112 HB3 LYS 12 HB3 LYS 12 10.738 -4.673 -4.234 113 HG2 LYS 12 HG2 LYS 12 8.860 -2.620 -5.276 114 HG3 LYS 12 HG3 LYS 12 10.205 -2.188 -4.213 115 HD2 LYS 12 HD2 LYS 12 11.806 -2.975 -5.872 116 HD3 LYS 12 HD3 LYS 12 10.552 -3.629 -6.895 117 HE2 LYS 12 HE2 LYS 12 11.613 -0.972 -6.771 118 HE3 LYS 12 HE3 LYS 12 10.568 -1.709 -7.979 119 HZ1 LYS 12 HZ1 LYS 12 9.889 0.291 -6.211 120 HZ2 LYS 12 HZ2 LYS 12 8.962 -1.021 -5.647 121 HZ3 LYS 12 HZ3 LYS 12 8.878 -0.546 -7.246 122 H LYS 13 H LYS 13 7.356 -6.120 -3.908 123 HA LYS 13 HA LYS 13 8.713 -8.693 -3.577 124 HB2 LYS 13 HB2 LYS 13 7.002 -9.110 -1.788 125 HB3 LYS 13 HB3 LYS 13 8.042 -7.708 -1.513 126 HG2 LYS 13 HG2 LYS 13 6.297 -6.196 -2.324 127 HG3 LYS 13 HG3 LYS 13 5.258 -7.534 -2.735 128 HD2 LYS 13 HD2 LYS 13 4.390 -7.166 -0.705 129 HD3 LYS 13 HD3 LYS 13 5.748 -8.140 -0.121 130 HE2 LYS 13 HE2 LYS 13 6.333 -5.222 -0.466 131 HE3 LYS 13 HE3 LYS 13 5.157 -5.617 0.754 132 HZ1 LYS 13 HZ1 LYS 13 7.305 -5.588 1.695 133 HZ2 LYS 13 HZ2 LYS 13 7.945 -6.670 0.615 134 HZ3 LYS 13 HZ3 LYS 13 6.815 -7.156 1.798 135 H LYS 14 H LYS 14 6.561 -7.465 -5.676 136 HA LYS 14 HA LYS 14 5.375 -8.376 -7.368 137 HB2 LYS 14 HB2 LYS 14 6.272 -11.108 -6.462 138 HB3 LYS 14 HB3 LYS 14 5.787 -10.608 -8.057 139 HG2 LYS 14 HG2 LYS 14 8.314 -9.777 -6.591 140 HG3 LYS 14 HG3 LYS 14 8.215 -10.744 -8.054 141 HD2 LYS 14 HD2 LYS 14 6.893 -8.151 -8.523 142 HD3 LYS 14 HD3 LYS 14 8.471 -7.952 -7.806 143 HE2 LYS 14 HE2 LYS 14 8.803 -7.985 -10.157 144 HE3 LYS 14 HE3 LYS 14 9.475 -9.456 -9.484 145 HZ1 LYS 14 HZ1 LYS 14 6.659 -9.528 -10.351 146 HZ2 LYS 14 HZ2 LYS 14 7.813 -10.750 -10.385 147 HZ3 LYS 14 HZ3 LYS 14 7.830 -9.525 -11.540 148 H ILE 15 H ILE 15 4.136 -8.145 -4.670 149 HA ILE 15 HA ILE 15 2.072 -10.216 -4.870 150 HB ILE 15 HB ILE 15 2.675 -8.103 -2.804 151 HG12 ILE 15 HG12 ILE 15 1.731 -10.477 -1.695 152 HG13 ILE 15 HG13 ILE 15 2.692 -11.028 -3.049 153 HG21 ILE 15 HG21 ILE 15 0.048 -9.474 -3.259 154 HG22 ILE 15 HG22 ILE 15 0.321 -7.728 -3.212 155 HG23 ILE 15 HG23 ILE 15 0.481 -8.698 -1.743 156 HD11 ILE 15 HD11 ILE 15 4.561 -9.558 -2.207 157 HD12 ILE 15 HD12 ILE 15 4.117 -10.852 -1.098 158 HD13 ILE 15 HD13 ILE 15 3.559 -9.211 -0.774 159 H SER 16 H SER 16 0.197 -9.997 -5.849 160 HA SER 16 HA SER 16 -0.113 -7.708 -7.533 161 HB2 SER 16 HB2 SER 16 -1.730 -10.228 -7.182 162 HB3 SER 16 HB3 SER 16 -2.113 -9.004 -8.384 163 HG SER 16 HG SER 16 -0.759 -10.237 -9.464 164 H GLN 17 H GLN 17 -2.288 -6.683 -7.809 165 HA GLN 17 HA GLN 17 -2.659 -5.013 -5.635 166 HB2 GLN 17 HB2 GLN 17 -4.514 -5.548 -7.960 167 HB3 GLN 17 HB3 GLN 17 -4.671 -4.194 -6.868 168 HG2 GLN 17 HG2 GLN 17 -2.479 -3.328 -7.487 169 HG3 GLN 17 HG3 GLN 17 -2.151 -4.734 -8.492 170 HE21 GLN 17 HE21 GLN 17 -1.882 -2.794 -10.126 171 HE22 GLN 17 HE22 GLN 17 -3.276 -2.346 -10.960 172 H SER 18 H SER 18 -4.783 -7.676 -6.669 173 HA SER 18 HA SER 18 -6.785 -7.180 -4.753 174 HB2 SER 18 HB2 SER 18 -6.121 -9.733 -6.216 175 HB3 SER 18 HB3 SER 18 -7.527 -9.508 -5.181 176 HG SER 18 HG SER 18 -8.413 -8.580 -6.778 177 H GLU 19 H GLU 19 -3.935 -9.268 -4.523 178 HA GLU 19 HA GLU 19 -4.534 -10.735 -2.324 179 HB2 GLU 19 HB2 GLU 19 -1.888 -9.511 -3.205 180 HB3 GLU 19 HB3 GLU 19 -2.048 -10.549 -1.797 181 HG2 GLU 19 HG2 GLU 19 -1.414 -11.933 -3.560 182 HG3 GLU 19 HG3 GLU 19 -3.106 -12.300 -3.287 183 H LEU 20 H LEU 20 -2.869 -7.652 -2.130 184 HA LEU 20 HA LEU 20 -3.530 -7.500 0.691 185 HB2 LEU 20 HB2 LEU 20 -2.186 -5.473 0.859 186 HB3 LEU 20 HB3 LEU 20 -1.298 -6.805 0.169 187 HG LEU 20 HG LEU 20 -0.691 -4.907 -1.162 188 HD11 LEU 20 HD11 LEU 20 -1.287 -5.433 -3.320 189 HD12 LEU 20 HD12 LEU 20 -2.846 -6.073 -2.879 190 HD13 LEU 20 HD13 LEU 20 -1.367 -6.951 -2.456 191 HD21 LEU 20 HD21 LEU 20 -3.276 -3.886 -0.472 192 HD22 LEU 20 HD22 LEU 20 -3.163 -3.939 -2.239 193 HD23 LEU 20 HD23 LEU 20 -1.951 -3.091 -1.328 194 H ALA 21 H ALA 21 -4.402 -5.637 -2.153 195 HA ALA 21 HA ALA 21 -5.727 -3.660 -0.740 196 HB1 ALA 21 HB1 ALA 21 -6.802 -2.982 -2.844 197 HB2 ALA 21 HB2 ALA 21 -6.148 -4.432 -3.632 198 HB3 ALA 21 HB3 ALA 21 -5.068 -3.211 -2.969 199 H ALA 22 H ALA 22 -6.964 -6.772 -1.625 200 HA ALA 22 HA ALA 22 -9.738 -6.157 -1.499 201 HB1 ALA 22 HB1 ALA 22 -10.075 -8.556 -1.223 202 HB2 ALA 22 HB2 ALA 22 -8.390 -8.763 -0.827 203 HB3 ALA 22 HB3 ALA 22 -8.851 -8.268 -2.467 204 H LEU 23 H LEU 23 -7.474 -7.069 0.986 205 HA LEU 23 HA LEU 23 -9.281 -7.816 2.954 206 HB2 LEU 23 HB2 LEU 23 -6.505 -6.760 3.411 207 HB3 LEU 23 HB3 LEU 23 -7.427 -7.764 4.518 208 HG LEU 23 HG LEU 23 -6.454 -8.551 1.749 209 HD11 LEU 23 HD11 LEU 23 -4.901 -8.569 3.745 210 HD12 LEU 23 HD12 LEU 23 -5.038 -10.043 2.777 211 HD13 LEU 23 HD13 LEU 23 -5.865 -9.930 4.331 212 HD21 LEU 23 HD21 LEU 23 -7.459 -10.811 2.468 213 HD22 LEU 23 HD22 LEU 23 -8.576 -9.573 1.906 214 HD23 LEU 23 HD23 LEU 23 -8.411 -9.895 3.638 215 H LEU 24 H LEU 24 -8.260 -4.635 2.219 216 HA LEU 24 HA LEU 24 -8.533 -3.483 4.752 217 HB2 LEU 24 HB2 LEU 24 -9.090 -1.375 3.066 218 HB3 LEU 24 HB3 LEU 24 -7.499 -1.885 3.601 219 HG LEU 24 HG LEU 24 -8.792 -3.144 1.172 220 HD11 LEU 24 HD11 LEU 24 -8.026 -0.431 1.409 221 HD12 LEU 24 HD12 LEU 24 -8.474 -1.344 -0.033 222 HD13 LEU 24 HD13 LEU 24 -6.789 -1.258 0.455 223 HD21 LEU 24 HD21 LEU 24 -6.343 -3.545 2.655 224 HD22 LEU 24 HD22 LEU 24 -5.960 -2.846 1.080 225 HD23 LEU 24 HD23 LEU 24 -6.892 -4.320 1.173 226 H GLU 25 H GLU 25 -11.033 -4.950 3.447 227 HA GLU 25 HA GLU 25 -13.270 -4.860 3.780 228 HB2 GLU 25 HB2 GLU 25 -12.465 -2.820 5.873 229 HB3 GLU 25 HB3 GLU 25 -14.089 -3.443 5.670 230 HG2 GLU 25 HG2 GLU 25 -13.373 -5.717 6.094 231 HG3 GLU 25 HG3 GLU 25 -11.690 -5.246 6.159 232 H VAL 26 H VAL 26 -11.973 -3.050 1.812 233 HA VAL 26 HA VAL 26 -14.311 -1.328 1.361 234 HB VAL 26 HB VAL 26 -12.848 0.465 0.462 235 HG11 VAL 26 HG11 VAL 26 -13.608 0.456 2.880 236 HG12 VAL 26 HG12 VAL 26 -12.140 1.382 2.556 237 HG13 VAL 26 HG13 VAL 26 -12.026 -0.217 3.286 238 HG21 VAL 26 HG21 VAL 26 -10.582 -1.225 1.608 239 HG22 VAL 26 HG22 VAL 26 -10.434 0.401 0.941 240 HG23 VAL 26 HG23 VAL 26 -10.887 -0.938 -0.108 241 H SER 27 H SER 27 -14.602 -0.870 -0.974 242 HA SER 27 HA SER 27 -14.097 -3.185 -2.491 243 HB2 SER 27 HB2 SER 27 -14.609 -1.300 -4.390 244 HB3 SER 27 HB3 SER 27 -15.824 -2.165 -3.478 245 HG SER 27 HG SER 27 -15.039 0.487 -3.379 246 H ARG 28 H ARG 28 -12.421 -3.762 -3.665 247 HA ARG 28 HA ARG 28 -9.955 -2.484 -3.282 248 HB2 ARG 28 HB2 ARG 28 -10.334 -4.881 -3.870 249 HB3 ARG 28 HB3 ARG 28 -10.570 -4.423 -5.563 250 HG2 ARG 28 HG2 ARG 28 -8.184 -3.149 -5.004 251 HG3 ARG 28 HG3 ARG 28 -8.169 -4.456 -3.841 252 HD2 ARG 28 HD2 ARG 28 -7.077 -5.301 -5.827 253 HD3 ARG 28 HD3 ARG 28 -8.625 -6.108 -5.642 254 HE ARG 28 HE ARG 28 -9.092 -3.851 -7.224 255 HH11 ARG 28 HH11 ARG 28 -7.348 -6.954 -7.466 256 HH12 ARG 28 HH12 ARG 28 -7.468 -6.947 -9.155 257 HH21 ARG 28 HH21 ARG 28 -9.235 -3.985 -9.468 258 HH22 ARG 28 HH22 ARG 28 -8.550 -5.300 -10.321 259 H GLN 29 H GLN 29 -12.128 -2.462 -6.050 260 HA GLN 29 HA GLN 29 -10.581 -0.908 -7.775 261 HB2 GLN 29 HB2 GLN 29 -12.809 -0.105 -8.702 262 HB3 GLN 29 HB3 GLN 29 -12.603 -1.837 -8.682 263 HG2 GLN 29 HG2 GLN 29 -13.898 -2.029 -6.617 264 HG3 GLN 29 HG3 GLN 29 -14.055 -0.286 -6.503 265 HE21 GLN 29 HE21 GLN 29 -16.213 -2.382 -6.866 266 HE22 GLN 29 HE22 GLN 29 -17.028 -1.922 -8.280 267 H THR 30 H THR 30 -12.775 0.049 -5.180 268 HA THR 30 HA THR 30 -12.665 2.808 -5.628 269 HB THR 30 HB THR 30 -13.037 1.482 -2.938 270 HG1 THR 30 HG1 THR 30 -14.880 1.846 -5.094 271 HG21 THR 30 HG21 THR 30 -12.973 3.902 -2.908 272 HG22 THR 30 HG22 THR 30 -14.632 3.373 -2.656 273 HG23 THR 30 HG23 THR 30 -14.140 3.998 -4.229 274 H ILE 31 H ILE 31 -10.790 0.731 -3.406 275 HA ILE 31 HA ILE 31 -9.152 2.885 -2.538 276 HB ILE 31 HB ILE 31 -9.534 0.376 -1.586 277 HG12 ILE 31 HG12 ILE 31 -8.609 2.188 -0.274 278 HG13 ILE 31 HG13 ILE 31 -7.516 0.830 -0.134 279 HG21 ILE 31 HG21 ILE 31 -7.383 -0.843 -1.794 280 HG22 ILE 31 HG22 ILE 31 -6.868 0.282 -3.039 281 HG23 ILE 31 HG23 ILE 31 -8.266 -0.775 -3.314 282 HD11 ILE 31 HD11 ILE 31 -6.148 1.831 -2.033 283 HD12 ILE 31 HD12 ILE 31 -6.128 2.728 -0.524 284 HD13 ILE 31 HD13 ILE 31 -7.123 3.287 -1.852 285 H ASN 32 H ASN 32 -8.866 0.440 -5.025 286 HA ASN 32 HA ASN 32 -6.248 1.000 -5.891 287 HB2 ASN 32 HB2 ASN 32 -7.936 -0.919 -6.580 288 HB3 ASN 32 HB3 ASN 32 -8.388 0.224 -7.842 289 HD21 ASN 32 HD21 ASN 32 -6.996 -2.350 -8.167 290 HD22 ASN 32 HD22 ASN 32 -5.495 -2.007 -8.871 291 H GLY 33 H GLY 33 -9.391 2.335 -6.765 292 HA2 GLY 33 HA2 GLY 33 -8.459 4.148 -8.743 293 HA3 GLY 33 HA3 GLY 33 -9.987 4.249 -7.872 294 H ILE 34 H ILE 34 -9.215 4.474 -5.269 295 HA ILE 34 HA ILE 34 -8.486 7.180 -5.179 296 HB ILE 34 HB ILE 34 -9.260 5.173 -3.151 297 HG12 ILE 34 HG12 ILE 34 -10.643 7.184 -2.442 298 HG13 ILE 34 HG13 ILE 34 -9.873 8.056 -3.770 299 HG21 ILE 34 HG21 ILE 34 -7.804 7.699 -2.286 300 HG22 ILE 34 HG22 ILE 34 -7.133 6.073 -2.172 301 HG23 ILE 34 HG23 ILE 34 -8.581 6.492 -1.274 302 HD11 ILE 34 HD11 ILE 34 -10.741 6.331 -5.372 303 HD12 ILE 34 HD12 ILE 34 -11.999 7.219 -4.529 304 HD13 ILE 34 HD13 ILE 34 -11.603 5.579 -4.030 305 H GLU 35 H GLU 35 -6.563 4.314 -4.463 306 HA GLU 35 HA GLU 35 -4.194 5.758 -3.809 307 HB2 GLU 35 HB2 GLU 35 -4.792 3.040 -4.840 308 HB3 GLU 35 HB3 GLU 35 -3.150 3.562 -5.028 309 HG2 GLU 35 HG2 GLU 35 -3.175 4.165 -2.555 310 HG3 GLU 35 HG3 GLU 35 -4.744 3.384 -2.461 311 H LYS 36 H LYS 36 -5.952 5.198 -6.693 312 HA LYS 36 HA LYS 36 -3.796 6.036 -8.390 313 HB2 LYS 36 HB2 LYS 36 -6.238 4.647 -8.857 314 HB3 LYS 36 HB3 LYS 36 -6.239 6.079 -9.856 315 HG2 LYS 36 HG2 LYS 36 -4.141 5.657 -10.736 316 HG3 LYS 36 HG3 LYS 36 -3.799 4.318 -9.675 317 HD2 LYS 36 HD2 LYS 36 -6.112 4.353 -11.680 318 HD3 LYS 36 HD3 LYS 36 -4.560 3.614 -12.026 319 HE2 LYS 36 HE2 LYS 36 -6.759 2.607 -10.341 320 HE3 LYS 36 HE3 LYS 36 -5.506 1.737 -11.204 321 HZ1 LYS 36 HZ1 LYS 36 -5.009 1.356 -8.997 322 HZ2 LYS 36 HZ2 LYS 36 -5.396 2.894 -8.479 323 HZ3 LYS 36 HZ3 LYS 36 -3.929 2.563 -9.340 324 H ASN 37 H ASN 37 -3.988 7.873 -6.657 325 HA ASN 37 HA ASN 37 -3.394 10.017 -7.197 326 HB2 ASN 37 HB2 ASN 37 -5.870 10.159 -8.875 327 HB3 ASN 37 HB3 ASN 37 -4.926 11.535 -8.485 328 HD21 ASN 37 HD21 ASN 37 -5.062 10.545 -11.220 329 HD22 ASN 37 HD22 ASN 37 -3.505 10.078 -11.674 330 H LYS 38 H LYS 38 -5.794 8.829 -5.296 331 HA LYS 38 HA LYS 38 -6.738 11.529 -4.517 332 HB2 LYS 38 HB2 LYS 38 -7.877 8.791 -4.092 333 HB3 LYS 38 HB3 LYS 38 -8.261 10.060 -2.955 334 HG2 LYS 38 HG2 LYS 38 -9.876 10.673 -4.367 335 HG3 LYS 38 HG3 LYS 38 -8.611 11.401 -5.343 336 HD2 LYS 38 HD2 LYS 38 -8.367 9.186 -6.532 337 HD3 LYS 38 HD3 LYS 38 -9.807 8.614 -5.706 338 HE2 LYS 38 HE2 LYS 38 -9.632 11.016 -7.528 339 HE3 LYS 38 HE3 LYS 38 -10.414 9.488 -7.893 340 HZ1 LYS 38 HZ1 LYS 38 -11.350 10.554 -5.414 341 HZ2 LYS 38 HZ2 LYS 38 -12.240 10.112 -6.761 342 HZ3 LYS 38 HZ3 LYS 38 -11.571 11.673 -6.629 343 H TYR 39 H TYR 39 -5.628 8.536 -2.916 344 HA TYR 39 HA TYR 39 -3.553 9.874 -1.656 345 HB2 TYR 39 HB2 TYR 39 -4.284 9.794 0.712 346 HB3 TYR 39 HB3 TYR 39 -5.240 10.931 -0.228 347 HD1 TYR 39 HD1 TYR 39 -7.554 10.187 -1.065 348 HD2 TYR 39 HD2 TYR 39 -5.285 7.954 1.820 349 HE1 TYR 39 HE1 TYR 39 -9.591 8.962 -0.403 350 HE2 TYR 39 HE2 TYR 39 -7.312 6.725 2.475 351 HH TYR 39 HH TYR 39 -9.486 6.122 1.375 352 H ASN 40 H ASN 40 -2.331 8.469 -0.214 353 HA ASN 40 HA ASN 40 -2.458 5.694 -1.025 354 HB2 ASN 40 HB2 ASN 40 -0.260 6.771 -0.552 355 HB3 ASN 40 HB3 ASN 40 -0.759 7.059 1.101 356 HD21 ASN 40 HD21 ASN 40 -1.227 5.033 2.458 357 HD22 ASN 40 HD22 ASN 40 -0.375 3.622 2.076 358 HA PRO 41 HA PRO 41 -5.179 4.234 2.123 359 HB2 PRO 41 HB2 PRO 41 -2.967 2.391 2.943 360 HB3 PRO 41 HB3 PRO 41 -4.688 2.063 2.702 361 HG2 PRO 41 HG2 PRO 41 -2.890 1.437 0.843 362 HG3 PRO 41 HG3 PRO 41 -4.542 1.930 0.437 363 HD2 PRO 41 HD2 PRO 41 -2.047 3.379 -0.093 364 HD3 PRO 41 HD3 PRO 41 -3.699 3.675 -0.673 365 H SER 42 H SER 42 -5.577 5.064 4.161 366 HA SER 42 HA SER 42 -3.785 6.721 5.490 367 HB2 SER 42 HB2 SER 42 -6.020 5.294 6.940 368 HB3 SER 42 HB3 SER 42 -5.432 6.948 7.098 369 HG SER 42 HG SER 42 -7.356 5.967 5.514 370 H LEU 43 H LEU 43 -2.697 6.329 7.568 371 HA LEU 43 HA LEU 43 -1.155 4.018 7.382 372 HB2 LEU 43 HB2 LEU 43 -1.519 5.887 9.722 373 HB3 LEU 43 HB3 LEU 43 -0.340 4.600 9.735 374 HG LEU 43 HG LEU 43 -0.209 7.233 8.452 375 HD11 LEU 43 HD11 LEU 43 2.129 5.448 8.354 376 HD12 LEU 43 HD12 LEU 43 1.464 5.725 9.970 377 HD13 LEU 43 HD13 LEU 43 1.968 7.082 8.978 378 HD21 LEU 43 HD21 LEU 43 0.879 6.563 6.363 379 HD22 LEU 43 HD22 LEU 43 -0.750 5.917 6.355 380 HD23 LEU 43 HD23 LEU 43 0.627 4.868 6.707 381 H GLN 44 H GLN 44 -3.905 4.608 9.468 382 HA GLN 44 HA GLN 44 -3.783 2.102 10.818 383 HB2 GLN 44 HB2 GLN 44 -5.235 3.977 11.588 384 HB3 GLN 44 HB3 GLN 44 -6.251 3.752 10.171 385 HG2 GLN 44 HG2 GLN 44 -7.249 2.609 12.074 386 HG3 GLN 44 HG3 GLN 44 -6.720 1.399 10.905 387 HE21 GLN 44 HE21 GLN 44 -6.121 -0.331 12.254 388 HE22 GLN 44 HE22 GLN 44 -4.972 -0.202 13.495 389 H LEU 45 H LEU 45 -5.319 3.187 7.854 390 HA LEU 45 HA LEU 45 -6.507 0.722 7.077 391 HB2 LEU 45 HB2 LEU 45 -7.214 2.765 6.039 392 HB3 LEU 45 HB3 LEU 45 -5.582 3.126 5.471 393 HG LEU 45 HG LEU 45 -5.659 1.090 4.032 394 HD11 LEU 45 HD11 LEU 45 -8.065 0.199 3.754 395 HD12 LEU 45 HD12 LEU 45 -8.258 0.718 5.439 396 HD13 LEU 45 HD13 LEU 45 -6.979 -0.431 4.988 397 HD21 LEU 45 HD21 LEU 45 -8.215 2.555 3.431 398 HD22 LEU 45 HD22 LEU 45 -6.931 2.045 2.344 399 HD23 LEU 45 HD23 LEU 45 -6.716 3.456 3.399 400 H ALA 46 H ALA 46 -3.440 2.278 6.369 401 HA ALA 46 HA ALA 46 -2.431 0.336 4.636 402 HB1 ALA 46 HB1 ALA 46 -0.920 2.249 6.385 403 HB2 ALA 46 HB2 ALA 46 -1.595 2.611 4.796 404 HB3 ALA 46 HB3 ALA 46 -0.293 1.399 4.958 405 H LEU 47 H LEU 47 -2.491 0.502 8.116 406 HA LEU 47 HA LEU 47 -0.426 -1.350 8.634 407 HB2 LEU 47 HB2 LEU 47 -2.893 -0.582 10.175 408 HB3 LEU 47 HB3 LEU 47 -1.813 -1.843 10.768 409 HG LEU 47 HG LEU 47 -0.825 0.925 9.996 410 HD11 LEU 47 HD11 LEU 47 -2.499 0.337 12.184 411 HD12 LEU 47 HD12 LEU 47 -1.508 1.771 11.926 412 HD13 LEU 47 HD13 LEU 47 -0.860 0.425 12.836 413 HD21 LEU 47 HD21 LEU 47 0.365 -1.287 11.726 414 HD22 LEU 47 HD22 LEU 47 1.106 0.265 11.388 415 HD23 LEU 47 HD23 LEU 47 0.896 -0.903 10.097 416 H LYS 48 H LYS 48 -3.846 -1.785 7.928 417 HA LYS 48 HA LYS 48 -3.955 -4.629 8.200 418 HB2 LYS 48 HB2 LYS 48 -5.494 -2.731 6.398 419 HB3 LYS 48 HB3 LYS 48 -5.864 -4.430 6.613 420 HG2 LYS 48 HG2 LYS 48 -5.735 -2.531 8.965 421 HG3 LYS 48 HG3 LYS 48 -7.211 -2.764 8.038 422 HD2 LYS 48 HD2 LYS 48 -7.086 -5.206 8.487 423 HD3 LYS 48 HD3 LYS 48 -5.657 -4.920 9.502 424 HE2 LYS 48 HE2 LYS 48 -6.921 -3.596 11.045 425 HE3 LYS 48 HE3 LYS 48 -8.339 -3.573 9.999 426 HZ1 LYS 48 HZ1 LYS 48 -7.752 -6.247 10.394 427 HZ2 LYS 48 HZ2 LYS 48 -9.003 -5.360 11.077 428 HZ3 LYS 48 HZ3 LYS 48 -7.566 -5.524 11.915 429 H ILE 49 H ILE 49 -3.399 -2.457 5.453 430 HA ILE 49 HA ILE 49 -2.881 -4.506 3.559 431 HB ILE 49 HB ILE 49 -2.111 -1.582 3.613 432 HG12 ILE 49 HG12 ILE 49 -4.122 -3.060 1.911 433 HG13 ILE 49 HG13 ILE 49 -4.605 -2.262 3.390 434 HG21 ILE 49 HG21 ILE 49 -1.668 -1.873 1.161 435 HG22 ILE 49 HG22 ILE 49 -1.780 -3.607 1.391 436 HG23 ILE 49 HG23 ILE 49 -0.496 -2.698 2.193 437 HD11 ILE 49 HD11 ILE 49 -3.571 -1.048 0.842 438 HD12 ILE 49 HD12 ILE 49 -3.413 -0.166 2.357 439 HD13 ILE 49 HD13 ILE 49 -5.009 -0.610 1.773 440 H ALA 50 H ALA 50 -0.722 -2.485 5.494 441 HA ALA 50 HA ALA 50 1.694 -3.344 4.449 442 HB1 ALA 50 HB1 ALA 50 2.723 -2.293 6.258 443 HB2 ALA 50 HB2 ALA 50 1.420 -2.679 7.367 444 HB3 ALA 50 HB3 ALA 50 1.192 -1.442 6.135 445 H TYR 51 H TYR 51 0.031 -4.603 7.322 446 HA TYR 51 HA TYR 51 1.966 -6.521 7.939 447 HB2 TYR 51 HB2 TYR 51 0.204 -5.877 9.515 448 HB3 TYR 51 HB3 TYR 51 -1.020 -6.611 8.492 449 HD1 TYR 51 HD1 TYR 51 2.069 -7.335 10.462 450 HD2 TYR 51 HD2 TYR 51 -1.459 -8.984 8.598 451 HE1 TYR 51 HE1 TYR 51 2.508 -9.511 11.537 452 HE2 TYR 51 HE2 TYR 51 -1.014 -11.145 9.670 453 HH TYR 51 HH TYR 51 0.708 -12.375 10.672 454 H TYR 52 H TYR 52 -1.014 -6.805 6.058 455 HA TYR 52 HA TYR 52 -0.563 -9.530 5.344 456 HB2 TYR 52 HB2 TYR 52 -2.809 -8.370 5.295 457 HB3 TYR 52 HB3 TYR 52 -2.266 -7.550 3.835 458 HD1 TYR 52 HD1 TYR 52 -3.062 -10.832 5.308 459 HD2 TYR 52 HD2 TYR 52 -2.038 -8.727 1.705 460 HE1 TYR 52 HE1 TYR 52 -3.646 -12.807 3.996 461 HE2 TYR 52 HE2 TYR 52 -2.626 -10.713 0.386 462 HH TYR 52 HH TYR 52 -3.337 -13.799 1.885 463 H LEU 53 H LEU 53 0.005 -6.443 3.704 464 HA LEU 53 HA LEU 53 0.863 -7.499 1.264 465 HB2 LEU 53 HB2 LEU 53 0.099 -5.144 1.718 466 HB3 LEU 53 HB3 LEU 53 1.740 -4.808 2.346 467 HG LEU 53 HG LEU 53 0.887 -4.405 -0.226 468 HD11 LEU 53 HD11 LEU 53 3.595 -5.031 -0.531 469 HD12 LEU 53 HD12 LEU 53 3.391 -4.425 1.123 470 HD13 LEU 53 HD13 LEU 53 2.841 -3.473 -0.243 471 HD21 LEU 53 HD21 LEU 53 2.239 -7.161 -0.291 472 HD22 LEU 53 HD22 LEU 53 1.831 -6.160 -1.668 473 HD23 LEU 53 HD23 LEU 53 0.565 -6.840 -0.680 474 H ASN 54 H ASN 54 2.297 -8.332 3.918 475 HA ASN 54 HA ASN 54 4.386 -9.092 4.463 476 HB2 ASN 54 HB2 ASN 54 4.615 -8.926 1.475 477 HB3 ASN 54 HB3 ASN 54 5.882 -9.547 2.510 478 HD21 ASN 54 HD21 ASN 54 3.056 -10.500 0.832 479 HD22 ASN 54 HD22 ASN 54 2.795 -11.967 1.625 480 H THR 55 H THR 55 4.001 -6.216 4.575 481 HA THR 55 HA THR 55 6.744 -5.541 4.705 482 HB THR 55 HB THR 55 5.200 -4.843 2.421 483 HG1 THR 55 HG1 THR 55 7.817 -3.964 2.991 484 HG21 THR 55 HG21 THR 55 5.933 -2.374 2.315 485 HG22 THR 55 HG22 THR 55 6.158 -2.470 4.059 486 HG23 THR 55 HG23 THR 55 4.578 -2.748 3.355 487 HA PRO 56 HA PRO 56 4.533 -3.687 8.168 488 HB2 PRO 56 HB2 PRO 56 7.167 -2.359 8.625 489 HB3 PRO 56 HB3 PRO 56 6.137 -3.273 9.743 490 HG2 PRO 56 HG2 PRO 56 8.317 -4.376 8.784 491 HG3 PRO 56 HG3 PRO 56 6.828 -5.328 8.936 492 HD2 PRO 56 HD2 PRO 56 8.057 -4.190 6.452 493 HD3 PRO 56 HD3 PRO 56 7.207 -5.727 6.722 494 H LEU 57 H LEU 57 3.599 -1.691 8.546 495 HA LEU 57 HA LEU 57 3.460 0.158 6.433 496 HB2 LEU 57 HB2 LEU 57 1.642 -0.007 8.008 497 HB3 LEU 57 HB3 LEU 57 2.702 0.465 9.338 498 HG LEU 57 HG LEU 57 3.081 2.669 8.237 499 HD11 LEU 57 HD11 LEU 57 1.658 1.345 6.016 500 HD12 LEU 57 HD12 LEU 57 2.799 2.695 6.055 501 HD13 LEU 57 HD13 LEU 57 1.118 2.988 6.380 502 HD21 LEU 57 HD21 LEU 57 0.139 2.156 8.340 503 HD22 LEU 57 HD22 LEU 57 1.053 3.611 8.763 504 HD23 LEU 57 HD23 LEU 57 1.155 2.173 9.809 505 H GLU 58 H GLU 58 5.256 0.172 9.464 506 HA GLU 58 HA GLU 58 6.344 2.709 9.051 507 HB2 GLU 58 HB2 GLU 58 7.490 0.410 10.676 508 HB3 GLU 58 HB3 GLU 58 8.028 2.071 10.746 509 HG2 GLU 58 HG2 GLU 58 5.658 2.783 11.345 510 HG3 GLU 58 HG3 GLU 58 5.245 1.093 11.410 511 H ASP 59 H ASP 59 6.887 -0.311 7.642 512 HA ASP 59 HA ASP 59 9.561 0.164 6.638 513 HB2 ASP 59 HB2 ASP 59 8.547 -2.171 6.814 514 HB3 ASP 59 HB3 ASP 59 7.550 -1.755 5.427 515 H ILE 60 H ILE 60 6.320 0.920 5.535 516 HA ILE 60 HA ILE 60 7.479 2.080 3.097 517 HB ILE 60 HB ILE 60 5.245 2.561 2.359 518 HG12 ILE 60 HG12 ILE 60 4.191 1.492 4.986 519 HG13 ILE 60 HG13 ILE 60 4.322 3.233 4.692 520 HG21 ILE 60 HG21 ILE 60 4.626 -0.040 3.607 521 HG22 ILE 60 HG22 ILE 60 6.170 0.021 2.742 522 HG23 ILE 60 HG23 ILE 60 4.663 0.406 1.905 523 HD11 ILE 60 HD11 ILE 60 2.313 1.333 3.821 524 HD12 ILE 60 HD12 ILE 60 3.016 2.157 2.433 525 HD13 ILE 60 HD13 ILE 60 2.278 3.092 3.728 526 H PHE 61 H PHE 61 6.141 2.979 6.178 527 HA PHE 61 HA PHE 61 6.053 5.777 5.801 528 HB2 PHE 61 HB2 PHE 61 5.093 4.554 7.815 529 HB3 PHE 61 HB3 PHE 61 6.760 4.370 8.364 530 HD1 PHE 61 HD1 PHE 61 8.091 6.220 9.146 531 HD2 PHE 61 HD2 PHE 61 4.088 6.833 7.702 532 HE1 PHE 61 HE1 PHE 61 8.108 8.495 10.077 533 HE2 PHE 61 HE2 PHE 61 4.106 9.117 8.636 534 HZ PHE 61 HZ PHE 61 6.119 9.956 9.831 535 H GLN 62 H GLN 62 8.599 3.601 6.972 536 HA GLN 62 HA GLN 62 10.510 4.859 8.045 537 HB2 GLN 62 HB2 GLN 62 12.220 3.562 7.018 538 HB3 GLN 62 HB3 GLN 62 10.778 2.575 7.047 539 HG2 GLN 62 HG2 GLN 62 10.316 3.185 4.676 540 HG3 GLN 62 HG3 GLN 62 11.774 4.151 4.644 541 HE21 GLN 62 HE21 GLN 62 10.621 0.819 4.924 542 HE22 GLN 62 HE22 GLN 62 12.086 0.082 4.518 543 H TRP 63 H TRP 63 9.814 5.591 4.679 544 HA TRP 63 HA TRP 63 10.381 7.413 3.374 545 HB2 TRP 63 HB2 TRP 63 10.475 8.452 6.006 546 HB3 TRP 63 HB3 TRP 63 11.957 8.987 5.257 547 HD1 TRP 63 HD1 TRP 63 8.341 9.711 5.415 548 HE1 TRP 63 HE1 TRP 63 7.711 11.532 3.704 549 HE3 TRP 63 HE3 TRP 63 12.620 9.819 2.635 550 HZ2 TRP 63 HZ2 TRP 63 8.888 12.858 1.432 551 HZ3 TRP 63 HZ3 TRP 63 12.831 11.354 0.724 552 HH2 TRP 63 HH2 TRP 63 10.966 12.872 0.122 553 H GLN 64 H GLN 64 12.781 5.950 5.425 554 HA GLN 64 HA GLN 64 14.852 5.078 4.884 555 HB2 GLN 64 HB2 GLN 64 14.871 6.805 2.361 556 HB3 GLN 64 HB3 GLN 64 15.997 5.563 2.828 557 HG2 GLN 64 HG2 GLN 64 13.199 4.635 2.809 558 HG3 GLN 64 HG3 GLN 64 13.846 5.084 1.230 559 HE21 GLN 64 HE21 GLN 64 14.169 2.919 0.390 560 HE22 GLN 64 HE22 GLN 64 15.233 1.835 1.128 561 HA PRO 65 HA PRO 65 15.551 8.983 7.157 562 HB2 PRO 65 HB2 PRO 65 17.402 7.117 8.553 563 HB3 PRO 65 HB3 PRO 65 16.296 8.318 9.236 564 HG2 PRO 65 HG2 PRO 65 15.636 5.780 9.316 565 HG3 PRO 65 HG3 PRO 65 14.407 6.986 8.873 566 HD2 PRO 65 HD2 PRO 65 15.862 5.059 7.104 567 HD3 PRO 65 HD3 PRO 65 14.186 5.642 7.008 568 H GLU 66 H GLU 66 18.113 6.705 6.124 569 HA GLU 66 HA GLU 66 19.565 8.772 4.801 570 HB2 GLU 66 HB2 GLU 66 21.656 8.334 6.254 571 HB3 GLU 66 HB3 GLU 66 20.437 9.489 6.820 572 HG2 GLU 66 HG2 GLU 66 19.521 7.936 8.335 573 HG3 GLU 66 HG3 GLU 66 20.355 6.568 7.626 Start of MODEL 19 1 H1 MET 1 H1 MET 1 14.053 3.298 -4.333 2 HA MET 1 HA MET 1 14.654 6.028 -4.233 3 HB2 MET 1 HB2 MET 1 11.685 5.434 -4.332 4 HB3 MET 1 HB3 MET 1 12.380 6.951 -3.765 5 HG2 MET 1 HG2 MET 1 13.416 7.345 -5.955 6 HG3 MET 1 HG3 MET 1 12.842 5.777 -6.518 7 HE1 MET 1 HE1 MET 1 10.365 9.520 -5.619 8 HE2 MET 1 HE2 MET 1 12.103 9.280 -5.394 9 HE3 MET 1 HE3 MET 1 10.945 8.560 -4.278 10 H ILE 2 H ILE 2 15.732 4.579 -2.585 11 HA ILE 2 HA ILE 2 15.760 3.430 -0.547 12 HB ILE 2 HB ILE 2 15.573 5.202 1.286 13 HG12 ILE 2 HG12 ILE 2 13.952 6.634 -0.313 14 HG13 ILE 2 HG13 ILE 2 15.128 7.421 0.738 15 HG21 ILE 2 HG21 ILE 2 17.741 4.950 0.703 16 HG22 ILE 2 HG22 ILE 2 17.530 6.549 0.027 17 HG23 ILE 2 HG23 ILE 2 17.440 5.136 -1.019 18 HD11 ILE 2 HD11 ILE 2 16.406 8.137 -0.998 19 HD12 ILE 2 HD12 ILE 2 14.904 7.967 -1.884 20 HD13 ILE 2 HD13 ILE 2 16.123 6.701 -1.967 21 H ILE 3 H ILE 3 13.534 5.530 1.005 22 HA ILE 3 HA ILE 3 11.622 3.290 1.226 23 HB ILE 3 HB ILE 3 11.826 5.757 2.978 24 HG12 ILE 3 HG12 ILE 3 13.898 4.407 3.186 25 HG13 ILE 3 HG13 ILE 3 12.912 4.275 4.633 26 HG21 ILE 3 HG21 ILE 3 9.901 3.594 2.747 27 HG22 ILE 3 HG22 ILE 3 9.858 4.979 3.819 28 HG23 ILE 3 HG23 ILE 3 10.700 3.517 4.307 29 HD11 ILE 3 HD11 ILE 3 13.662 2.080 4.060 30 HD12 ILE 3 HD12 ILE 3 13.133 2.271 2.390 31 HD13 ILE 3 HD13 ILE 3 11.933 2.157 3.687 32 H ASN 4 H ASN 4 9.977 3.498 -0.156 33 HA ASN 4 HA ASN 4 8.852 6.185 -0.705 34 HB2 ASN 4 HB2 ASN 4 10.179 4.925 -2.617 35 HB3 ASN 4 HB3 ASN 4 8.717 3.956 -2.718 36 HD21 ASN 4 HD21 ASN 4 9.992 6.306 -4.456 37 HD22 ASN 4 HD22 ASN 4 8.643 7.270 -4.759 38 H ASN 5 H ASN 5 6.649 5.395 -2.110 39 HA ASN 5 HA ASN 5 4.863 4.633 -0.062 40 HB2 ASN 5 HB2 ASN 5 4.379 5.913 -2.278 41 HB3 ASN 5 HB3 ASN 5 4.218 4.319 -2.973 42 HD21 ASN 5 HD21 ASN 5 2.334 6.678 -1.603 43 HD22 ASN 5 HD22 ASN 5 1.088 5.722 -0.993 44 H LEU 6 H LEU 6 3.555 2.711 0.030 45 HA LEU 6 HA LEU 6 5.220 0.436 -0.129 46 HB2 LEU 6 HB2 LEU 6 3.367 -0.932 0.657 47 HB3 LEU 6 HB3 LEU 6 3.606 0.505 1.641 48 HG LEU 6 HG LEU 6 1.754 1.619 0.260 49 HD11 LEU 6 HD11 LEU 6 0.305 -0.659 -0.475 50 HD12 LEU 6 HD12 LEU 6 1.910 -0.996 -1.096 51 HD13 LEU 6 HD13 LEU 6 1.058 0.475 -1.572 52 HD21 LEU 6 HD21 LEU 6 1.588 -0.600 2.161 53 HD22 LEU 6 HD22 LEU 6 0.057 -0.155 1.400 54 HD23 LEU 6 HD23 LEU 6 0.985 1.058 2.316 55 H LYS 7 H LYS 7 2.744 1.596 -2.238 56 HA LYS 7 HA LYS 7 2.425 -0.745 -3.770 57 HB2 LYS 7 HB2 LYS 7 1.974 0.913 -5.695 58 HB3 LYS 7 HB3 LYS 7 0.880 0.947 -4.313 59 HG2 LYS 7 HG2 LYS 7 2.403 2.844 -3.360 60 HG3 LYS 7 HG3 LYS 7 3.165 2.793 -4.932 61 HD2 LYS 7 HD2 LYS 7 1.166 3.355 -6.094 62 HD3 LYS 7 HD3 LYS 7 0.203 3.228 -4.627 63 HE2 LYS 7 HE2 LYS 7 1.377 5.054 -3.610 64 HE3 LYS 7 HE3 LYS 7 2.477 5.230 -4.975 65 HZ1 LYS 7 HZ1 LYS 7 -0.355 5.322 -5.697 66 HZ2 LYS 7 HZ2 LYS 7 0.921 6.428 -6.017 67 HZ3 LYS 7 HZ3 LYS 7 0.129 6.430 -4.514 68 H LEU 8 H LEU 8 4.876 1.718 -3.769 69 HA LEU 8 HA LEU 8 6.436 0.743 -5.960 70 HB2 LEU 8 HB2 LEU 8 7.003 2.440 -3.531 71 HB3 LEU 8 HB3 LEU 8 8.332 1.855 -4.519 72 HG LEU 8 HG LEU 8 7.462 4.166 -5.049 73 HD11 LEU 8 HD11 LEU 8 8.530 3.783 -6.924 74 HD12 LEU 8 HD12 LEU 8 7.055 3.143 -7.623 75 HD13 LEU 8 HD13 LEU 8 8.209 2.047 -6.840 76 HD21 LEU 8 HD21 LEU 8 5.113 2.602 -6.197 77 HD22 LEU 8 HD22 LEU 8 5.432 4.320 -6.417 78 HD23 LEU 8 HD23 LEU 8 5.058 3.721 -4.816 79 H ILE 9 H ILE 9 6.213 0.093 -2.488 80 HA ILE 9 HA ILE 9 8.360 -1.765 -2.361 81 HB ILE 9 HB ILE 9 5.946 -1.385 -0.511 82 HG12 ILE 9 HG12 ILE 9 7.486 0.587 -0.678 83 HG13 ILE 9 HG13 ILE 9 7.596 -0.197 0.892 84 HG21 ILE 9 HG21 ILE 9 6.579 -3.310 0.407 85 HG22 ILE 9 HG22 ILE 9 8.049 -2.488 0.903 86 HG23 ILE 9 HG23 ILE 9 8.044 -3.423 -0.571 87 HD11 ILE 9 HD11 ILE 9 9.818 -0.229 0.536 88 HD12 ILE 9 HD12 ILE 9 9.629 0.109 -1.178 89 HD13 ILE 9 HD13 ILE 9 9.523 -1.556 -0.585 90 H ARG 10 H ARG 10 4.924 -2.065 -2.845 91 HA ARG 10 HA ARG 10 4.504 -4.790 -2.618 92 HB2 ARG 10 HB2 ARG 10 2.730 -3.093 -2.906 93 HB3 ARG 10 HB3 ARG 10 3.278 -2.904 -4.574 94 HG2 ARG 10 HG2 ARG 10 2.748 -5.723 -4.065 95 HG3 ARG 10 HG3 ARG 10 1.344 -4.763 -3.630 96 HD2 ARG 10 HD2 ARG 10 2.715 -4.943 -6.291 97 HD3 ARG 10 HD3 ARG 10 1.047 -5.259 -5.910 98 HE ARG 10 HE ARG 10 0.910 -2.734 -5.406 99 HH11 ARG 10 HH11 ARG 10 3.112 -4.146 -7.784 100 HH12 ARG 10 HH12 ARG 10 3.199 -2.702 -8.686 101 HH21 ARG 10 HH21 ARG 10 1.061 -0.850 -6.700 102 HH22 ARG 10 HH22 ARG 10 2.046 -0.843 -8.097 103 H GLU 11 H GLU 11 5.370 -2.966 -5.557 104 HA GLU 11 HA GLU 11 5.265 -5.177 -7.286 105 HB2 GLU 11 HB2 GLU 11 6.661 -3.775 -8.834 106 HB3 GLU 11 HB3 GLU 11 5.208 -2.973 -8.245 107 HG2 GLU 11 HG2 GLU 11 6.481 -1.802 -6.552 108 HG3 GLU 11 HG3 GLU 11 7.973 -2.614 -7.030 109 H LYS 12 H LYS 12 7.818 -3.942 -5.275 110 HA LYS 12 HA LYS 12 9.943 -5.350 -6.435 111 HB2 LYS 12 HB2 LYS 12 9.686 -4.635 -3.506 112 HB3 LYS 12 HB3 LYS 12 11.169 -4.892 -4.417 113 HG2 LYS 12 HG2 LYS 12 9.164 -2.688 -4.781 114 HG3 LYS 12 HG3 LYS 12 10.828 -2.495 -4.269 115 HD2 LYS 12 HD2 LYS 12 11.575 -3.412 -6.505 116 HD3 LYS 12 HD3 LYS 12 9.908 -3.414 -7.042 117 HE2 LYS 12 HE2 LYS 12 11.614 -1.051 -6.312 118 HE3 LYS 12 HE3 LYS 12 10.831 -1.437 -7.843 119 HZ1 LYS 12 HZ1 LYS 12 9.831 0.160 -5.907 120 HZ2 LYS 12 HZ2 LYS 12 8.876 -1.194 -5.700 121 HZ3 LYS 12 HZ3 LYS 12 8.913 -0.437 -7.186 122 H LYS 13 H LYS 13 7.661 -6.266 -3.901 123 HA LYS 13 HA LYS 13 8.876 -8.928 -3.795 124 HB2 LYS 13 HB2 LYS 13 7.126 -9.279 -1.924 125 HB3 LYS 13 HB3 LYS 13 8.541 -8.291 -1.615 126 HG2 LYS 13 HG2 LYS 13 7.204 -6.214 -2.032 127 HG3 LYS 13 HG3 LYS 13 5.798 -7.190 -2.357 128 HD2 LYS 13 HD2 LYS 13 5.383 -7.604 -0.259 129 HD3 LYS 13 HD3 LYS 13 7.021 -7.959 0.214 130 HE2 LYS 13 HE2 LYS 13 6.967 -5.147 -0.296 131 HE3 LYS 13 HE3 LYS 13 5.503 -5.468 0.559 132 HZ1 LYS 13 HZ1 LYS 13 6.919 -6.683 2.300 133 HZ2 LYS 13 HZ2 LYS 13 7.242 -5.039 2.139 134 HZ3 LYS 13 HZ3 LYS 13 8.247 -6.149 1.435 135 H LYS 14 H LYS 14 6.866 -7.565 -5.769 136 HA LYS 14 HA LYS 14 5.276 -8.267 -7.233 137 HB2 LYS 14 HB2 LYS 14 5.821 -11.153 -6.919 138 HB3 LYS 14 HB3 LYS 14 5.854 -10.149 -8.353 139 HG2 LYS 14 HG2 LYS 14 8.071 -10.320 -6.250 140 HG3 LYS 14 HG3 LYS 14 8.047 -11.053 -7.847 141 HD2 LYS 14 HD2 LYS 14 7.719 -8.612 -8.765 142 HD3 LYS 14 HD3 LYS 14 8.194 -8.151 -7.141 143 HE2 LYS 14 HE2 LYS 14 9.952 -8.614 -9.210 144 HE3 LYS 14 HE3 LYS 14 10.376 -8.539 -7.515 145 HZ1 LYS 14 HZ1 LYS 14 11.132 -10.591 -8.682 146 HZ2 LYS 14 HZ2 LYS 14 9.528 -11.041 -8.897 147 HZ3 LYS 14 HZ3 LYS 14 10.180 -10.923 -7.337 148 H ILE 15 H ILE 15 4.276 -8.020 -4.533 149 HA ILE 15 HA ILE 15 2.412 -10.227 -4.234 150 HB ILE 15 HB ILE 15 2.745 -7.619 -2.724 151 HG12 ILE 15 HG12 ILE 15 2.817 -9.179 -0.792 152 HG13 ILE 15 HG13 ILE 15 2.490 -10.518 -1.874 153 HG21 ILE 15 HG21 ILE 15 0.708 -8.312 -1.404 154 HG22 ILE 15 HG22 ILE 15 0.355 -9.457 -2.680 155 HG23 ILE 15 HG23 ILE 15 0.351 -7.727 -3.033 156 HD11 ILE 15 HD11 ILE 15 5.014 -9.717 -1.150 157 HD12 ILE 15 HD12 ILE 15 4.816 -8.896 -2.698 158 HD13 ILE 15 HD13 ILE 15 4.632 -10.640 -2.603 159 H SER 16 H SER 16 0.491 -10.393 -5.163 160 HA SER 16 HA SER 16 -0.184 -8.611 -7.280 161 HB2 SER 16 HB2 SER 16 -2.013 -10.696 -6.089 162 HB3 SER 16 HB3 SER 16 -1.951 -10.115 -7.739 163 HG SER 16 HG SER 16 -0.205 -11.853 -6.347 164 H GLN 17 H GLN 17 -1.904 -7.148 -7.443 165 HA GLN 17 HA GLN 17 -2.618 -5.697 -5.124 166 HB2 GLN 17 HB2 GLN 17 -3.928 -5.813 -7.851 167 HB3 GLN 17 HB3 GLN 17 -4.394 -4.674 -6.600 168 HG2 GLN 17 HG2 GLN 17 -2.097 -3.733 -6.579 169 HG3 GLN 17 HG3 GLN 17 -1.609 -4.880 -7.821 170 HE21 GLN 17 HE21 GLN 17 -4.687 -4.273 -8.721 171 HE22 GLN 17 HE22 GLN 17 -4.461 -2.935 -9.722 172 H SER 18 H SER 18 -4.038 -8.384 -6.829 173 HA SER 18 HA SER 18 -6.582 -8.502 -5.705 174 HB2 SER 18 HB2 SER 18 -5.900 -11.094 -6.047 175 HB3 SER 18 HB3 SER 18 -6.381 -10.047 -7.365 176 HG SER 18 HG SER 18 -4.420 -10.925 -7.926 177 H GLU 19 H GLU 19 -3.416 -9.459 -4.548 178 HA GLU 19 HA GLU 19 -4.268 -11.042 -2.381 179 HB2 GLU 19 HB2 GLU 19 -1.877 -10.984 -3.397 180 HB3 GLU 19 HB3 GLU 19 -1.698 -9.482 -2.534 181 HG2 GLU 19 HG2 GLU 19 -1.499 -10.435 -0.541 182 HG3 GLU 19 HG3 GLU 19 -2.697 -11.690 -0.844 183 H LEU 20 H LEU 20 -3.139 -7.748 -2.517 184 HA LEU 20 HA LEU 20 -3.761 -7.271 0.249 185 HB2 LEU 20 HB2 LEU 20 -3.119 -4.942 -0.293 186 HB3 LEU 20 HB3 LEU 20 -1.844 -6.153 -0.452 187 HG LEU 20 HG LEU 20 -2.758 -6.221 -3.005 188 HD11 LEU 20 HD11 LEU 20 -4.208 -4.035 -1.899 189 HD12 LEU 20 HD12 LEU 20 -4.194 -4.680 -3.533 190 HD13 LEU 20 HD13 LEU 20 -3.056 -3.409 -3.092 191 HD21 LEU 20 HD21 LEU 20 -0.735 -4.504 -1.657 192 HD22 LEU 20 HD22 LEU 20 -1.163 -4.067 -3.307 193 HD23 LEU 20 HD23 LEU 20 -0.552 -5.668 -2.961 194 H ALA 21 H ALA 21 -5.175 -6.179 -2.780 195 HA ALA 21 HA ALA 21 -6.655 -4.083 -1.804 196 HB1 ALA 21 HB1 ALA 21 -7.660 -3.939 -3.857 197 HB2 ALA 21 HB2 ALA 21 -7.748 -5.702 -4.084 198 HB3 ALA 21 HB3 ALA 21 -6.210 -4.853 -4.197 199 H ALA 22 H ALA 22 -7.824 -7.350 -2.110 200 HA ALA 22 HA ALA 22 -10.479 -6.835 -1.259 201 HB1 ALA 22 HB1 ALA 22 -10.596 -9.289 -0.749 202 HB2 ALA 22 HB2 ALA 22 -8.882 -9.405 -1.134 203 HB3 ALA 22 HB3 ALA 22 -10.039 -8.918 -2.375 204 H LEU 23 H LEU 23 -7.598 -7.502 0.494 205 HA LEU 23 HA LEU 23 -8.664 -8.275 2.953 206 HB2 LEU 23 HB2 LEU 23 -5.959 -7.345 2.105 207 HB3 LEU 23 HB3 LEU 23 -6.314 -7.487 3.819 208 HG LEU 23 HG LEU 23 -5.344 -9.588 2.828 209 HD11 LEU 23 HD11 LEU 23 -8.150 -10.208 3.707 210 HD12 LEU 23 HD12 LEU 23 -7.055 -9.422 4.828 211 HD13 LEU 23 HD13 LEU 23 -6.638 -10.991 4.139 212 HD21 LEU 23 HD21 LEU 23 -6.696 -9.270 0.633 213 HD22 LEU 23 HD22 LEU 23 -8.041 -10.012 1.513 214 HD23 LEU 23 HD23 LEU 23 -6.544 -10.895 1.293 215 H LEU 24 H LEU 24 -8.278 -5.093 1.767 216 HA LEU 24 HA LEU 24 -7.683 -3.711 4.083 217 HB2 LEU 24 HB2 LEU 24 -9.511 -2.600 1.977 218 HB3 LEU 24 HB3 LEU 24 -8.333 -1.739 2.965 219 HG LEU 24 HG LEU 24 -7.786 -3.682 0.707 220 HD11 LEU 24 HD11 LEU 24 -8.335 -1.218 0.304 221 HD12 LEU 24 HD12 LEU 24 -6.930 -1.935 -0.483 222 HD13 LEU 24 HD13 LEU 24 -6.711 -0.911 0.930 223 HD21 LEU 24 HD21 LEU 24 -5.475 -3.340 1.101 224 HD22 LEU 24 HD22 LEU 24 -6.190 -4.143 2.482 225 HD23 LEU 24 HD23 LEU 24 -5.762 -2.403 2.585 226 H GLU 25 H GLU 25 -10.774 -4.894 3.007 227 HA GLU 25 HA GLU 25 -12.869 -4.964 3.945 228 HB2 GLU 25 HB2 GLU 25 -11.622 -3.791 6.447 229 HB3 GLU 25 HB3 GLU 25 -13.200 -4.483 6.290 230 HG2 GLU 25 HG2 GLU 25 -12.279 -6.663 5.645 231 HG3 GLU 25 HG3 GLU 25 -10.656 -6.029 5.782 232 H VAL 26 H VAL 26 -11.591 -2.693 2.636 233 HA VAL 26 HA VAL 26 -13.705 -0.732 3.213 234 HB VAL 26 HB VAL 26 -12.230 1.058 2.454 235 HG11 VAL 26 HG11 VAL 26 -10.784 1.234 4.320 236 HG12 VAL 26 HG12 VAL 26 -10.621 -0.513 4.469 237 HG13 VAL 26 HG13 VAL 26 -12.142 0.263 4.882 238 HG21 VAL 26 HG21 VAL 26 -9.654 -0.197 2.465 239 HG22 VAL 26 HG22 VAL 26 -10.446 0.618 1.133 240 HG23 VAL 26 HG23 VAL 26 -10.666 -1.107 1.345 241 H SER 27 H SER 27 -14.413 0.252 1.077 242 HA SER 27 HA SER 27 -14.896 -1.853 -0.662 243 HB2 SER 27 HB2 SER 27 -14.865 1.121 -1.087 244 HB3 SER 27 HB3 SER 27 -15.324 0.028 -2.385 245 HG SER 27 HG SER 27 -16.792 0.980 -0.464 246 H ARG 28 H ARG 28 -13.602 -2.921 -1.979 247 HA ARG 28 HA ARG 28 -10.916 -2.037 -2.437 248 HB2 ARG 28 HB2 ARG 28 -11.264 -4.374 -2.000 249 HB3 ARG 28 HB3 ARG 28 -12.285 -4.559 -3.448 250 HG2 ARG 28 HG2 ARG 28 -9.568 -3.348 -3.802 251 HG3 ARG 28 HG3 ARG 28 -9.648 -5.025 -3.321 252 HD2 ARG 28 HD2 ARG 28 -10.877 -5.732 -5.143 253 HD3 ARG 28 HD3 ARG 28 -11.373 -4.118 -5.648 254 HE ARG 28 HE ARG 28 -8.934 -5.543 -6.261 255 HH11 ARG 28 HH11 ARG 28 -10.306 -2.342 -5.828 256 HH12 ARG 28 HH12 ARG 28 -9.422 -1.608 -7.055 257 HH21 ARG 28 HH21 ARG 28 -7.714 -4.560 -7.931 258 HH22 ARG 28 HH22 ARG 28 -7.902 -2.899 -8.309 259 H GLN 29 H GLN 29 -13.763 -2.359 -4.367 260 HA GLN 29 HA GLN 29 -12.571 -1.945 -6.875 261 HB2 GLN 29 HB2 GLN 29 -15.346 -1.062 -5.998 262 HB3 GLN 29 HB3 GLN 29 -14.797 -1.353 -7.645 263 HG2 GLN 29 HG2 GLN 29 -14.188 -3.696 -6.939 264 HG3 GLN 29 HG3 GLN 29 -14.933 -3.324 -5.421 265 HE21 GLN 29 HE21 GLN 29 -16.938 -4.350 -5.327 266 HE22 GLN 29 HE22 GLN 29 -18.126 -4.272 -6.533 267 H THR 30 H THR 30 -13.866 0.243 -4.524 268 HA THR 30 HA THR 30 -13.444 2.649 -5.962 269 HB THR 30 HB THR 30 -13.910 3.689 -3.755 270 HG1 THR 30 HG1 THR 30 -13.201 2.381 -2.185 271 HG21 THR 30 HG21 THR 30 -15.715 1.356 -4.494 272 HG22 THR 30 HG22 THR 30 -15.757 2.959 -5.216 273 HG23 THR 30 HG23 THR 30 -16.174 2.739 -3.525 274 H ILE 31 H ILE 31 -11.488 0.728 -3.761 275 HA ILE 31 HA ILE 31 -9.798 2.597 -2.794 276 HB ILE 31 HB ILE 31 -9.887 0.004 -2.419 277 HG12 ILE 31 HG12 ILE 31 -8.658 1.524 -0.936 278 HG13 ILE 31 HG13 ILE 31 -7.680 0.110 -1.274 279 HG21 ILE 31 HG21 ILE 31 -8.876 -0.416 -4.763 280 HG22 ILE 31 HG22 ILE 31 -8.252 -1.332 -3.401 281 HG23 ILE 31 HG23 ILE 31 -7.336 0.025 -4.024 282 HD11 ILE 31 HD11 ILE 31 -7.324 2.914 -2.279 283 HD12 ILE 31 HD12 ILE 31 -6.682 1.576 -3.234 284 HD13 ILE 31 HD13 ILE 31 -6.143 1.821 -1.582 285 H ASN 32 H ASN 32 -9.332 1.020 -5.958 286 HA ASN 32 HA ASN 32 -6.972 2.551 -6.537 287 HB2 ASN 32 HB2 ASN 32 -7.830 2.039 -9.023 288 HB3 ASN 32 HB3 ASN 32 -6.986 0.846 -8.060 289 HD21 ASN 32 HD21 ASN 32 -9.567 1.030 -10.056 290 HD22 ASN 32 HD22 ASN 32 -10.579 -0.132 -9.350 291 H GLY 33 H GLY 33 -10.399 3.030 -7.052 292 HA2 GLY 33 HA2 GLY 33 -10.268 5.429 -8.563 293 HA3 GLY 33 HA3 GLY 33 -11.611 4.926 -7.549 294 H ILE 34 H ILE 34 -10.194 4.699 -5.129 295 HA ILE 34 HA ILE 34 -10.239 7.366 -4.401 296 HB ILE 34 HB ILE 34 -9.977 4.892 -2.878 297 HG12 ILE 34 HG12 ILE 34 -11.531 6.471 -1.395 298 HG13 ILE 34 HG13 ILE 34 -11.395 7.530 -2.764 299 HG21 ILE 34 HG21 ILE 34 -9.161 5.898 -0.885 300 HG22 ILE 34 HG22 ILE 34 -8.900 7.464 -1.678 301 HG23 ILE 34 HG23 ILE 34 -7.937 6.063 -2.123 302 HD11 ILE 34 HD11 ILE 34 -12.142 4.697 -3.304 303 HD12 ILE 34 HD12 ILE 34 -12.498 6.163 -4.223 304 HD13 ILE 34 HD13 ILE 34 -13.361 5.836 -2.716 305 H GLU 35 H GLU 35 -7.554 5.214 -4.869 306 HA GLU 35 HA GLU 35 -5.549 7.111 -4.166 307 HB2 GLU 35 HB2 GLU 35 -5.179 4.609 -4.611 308 HB3 GLU 35 HB3 GLU 35 -5.327 4.985 -6.324 309 HG2 GLU 35 HG2 GLU 35 -3.416 6.690 -6.003 310 HG3 GLU 35 HG3 GLU 35 -3.292 6.076 -4.389 311 H LYS 36 H LYS 36 -7.619 6.512 -6.842 312 HA LYS 36 HA LYS 36 -6.357 8.247 -8.714 313 HB2 LYS 36 HB2 LYS 36 -7.768 6.235 -9.337 314 HB3 LYS 36 HB3 LYS 36 -9.178 7.174 -8.863 315 HG2 LYS 36 HG2 LYS 36 -8.700 8.875 -10.522 316 HG3 LYS 36 HG3 LYS 36 -7.183 8.085 -10.947 317 HD2 LYS 36 HD2 LYS 36 -8.433 6.100 -11.728 318 HD3 LYS 36 HD3 LYS 36 -9.949 6.863 -11.269 319 HE2 LYS 36 HE2 LYS 36 -9.214 7.029 -13.747 320 HE3 LYS 36 HE3 LYS 36 -9.789 8.508 -12.980 321 HZ1 LYS 36 HZ1 LYS 36 -7.608 8.521 -14.310 322 HZ2 LYS 36 HZ2 LYS 36 -6.904 7.816 -12.965 323 HZ3 LYS 36 HZ3 LYS 36 -7.635 9.343 -12.846 324 H ASN 37 H ASN 37 -6.510 9.785 -6.608 325 HA ASN 37 HA ASN 37 -6.851 12.189 -6.640 326 HB2 ASN 37 HB2 ASN 37 -8.335 11.908 -8.728 327 HB3 ASN 37 HB3 ASN 37 -9.621 11.693 -7.526 328 HD21 ASN 37 HD21 ASN 37 -10.726 13.710 -7.983 329 HD22 ASN 37 HD22 ASN 37 -10.026 15.208 -7.615 330 H LYS 38 H LYS 38 -8.173 9.778 -4.865 331 HA LYS 38 HA LYS 38 -9.718 11.719 -3.313 332 HB2 LYS 38 HB2 LYS 38 -9.795 8.790 -2.794 333 HB3 LYS 38 HB3 LYS 38 -11.037 10.001 -2.520 334 HG2 LYS 38 HG2 LYS 38 -10.089 9.038 -5.241 335 HG3 LYS 38 HG3 LYS 38 -11.667 8.690 -4.518 336 HD2 LYS 38 HD2 LYS 38 -12.113 11.121 -4.544 337 HD3 LYS 38 HD3 LYS 38 -10.641 11.431 -5.393 338 HE2 LYS 38 HE2 LYS 38 -12.955 9.791 -6.293 339 HE3 LYS 38 HE3 LYS 38 -12.328 11.229 -7.093 340 HZ1 LYS 38 HZ1 LYS 38 -10.333 9.907 -7.853 341 HZ2 LYS 38 HZ2 LYS 38 -11.742 9.091 -8.153 342 HZ3 LYS 38 HZ3 LYS 38 -10.822 8.585 -6.913 343 H TYR 39 H TYR 39 -7.397 9.079 -3.008 344 HA TYR 39 HA TYR 39 -5.536 10.451 -1.614 345 HB2 TYR 39 HB2 TYR 39 -5.691 9.558 0.721 346 HB3 TYR 39 HB3 TYR 39 -6.951 10.716 0.364 347 HD1 TYR 39 HD1 TYR 39 -6.181 7.174 1.039 348 HD2 TYR 39 HD2 TYR 39 -9.299 9.968 0.064 349 HE1 TYR 39 HE1 TYR 39 -7.879 5.495 1.674 350 HE2 TYR 39 HE2 TYR 39 -10.995 8.281 0.707 351 HH TYR 39 HH TYR 39 -10.351 5.643 2.519 352 H ASN 40 H ASN 40 -3.710 9.318 -1.157 353 HA ASN 40 HA ASN 40 -3.558 6.625 -2.226 354 HB2 ASN 40 HB2 ASN 40 -1.614 8.652 -1.237 355 HB3 ASN 40 HB3 ASN 40 -1.211 6.998 -0.826 356 HD21 ASN 40 HD21 ASN 40 -2.398 8.803 -3.722 357 HD22 ASN 40 HD22 ASN 40 -1.417 7.971 -4.814 358 HA PRO 41 HA PRO 41 -4.957 4.590 1.293 359 HB2 PRO 41 HB2 PRO 41 -2.369 3.123 1.521 360 HB3 PRO 41 HB3 PRO 41 -4.029 2.498 1.560 361 HG2 PRO 41 HG2 PRO 41 -2.578 2.226 -0.614 362 HG3 PRO 41 HG3 PRO 41 -4.303 2.661 -0.721 363 HD2 PRO 41 HD2 PRO 41 -1.917 4.405 -1.211 364 HD3 PRO 41 HD3 PRO 41 -3.540 4.484 -1.924 365 H SER 42 H SER 42 -5.111 5.335 3.314 366 HA SER 42 HA SER 42 -3.055 6.891 4.568 367 HB2 SER 42 HB2 SER 42 -5.587 5.833 5.851 368 HB3 SER 42 HB3 SER 42 -4.669 7.271 6.258 369 HG SER 42 HG SER 42 -5.185 8.032 4.116 370 H LEU 43 H LEU 43 -2.169 6.295 6.693 371 HA LEU 43 HA LEU 43 -0.962 3.808 6.459 372 HB2 LEU 43 HB2 LEU 43 -1.109 5.599 8.887 373 HB3 LEU 43 HB3 LEU 43 -0.080 4.180 8.773 374 HG LEU 43 HG LEU 43 0.021 6.530 6.849 375 HD11 LEU 43 HD11 LEU 43 2.079 7.122 7.877 376 HD12 LEU 43 HD12 LEU 43 2.063 5.687 8.895 377 HD13 LEU 43 HD13 LEU 43 0.895 6.986 9.182 378 HD21 LEU 43 HD21 LEU 43 1.594 3.947 7.067 379 HD22 LEU 43 HD22 LEU 43 2.230 5.353 6.228 380 HD23 LEU 43 HD23 LEU 43 0.762 4.592 5.641 381 H GLN 44 H GLN 44 -3.724 4.725 8.375 382 HA GLN 44 HA GLN 44 -4.070 2.292 9.821 383 HB2 GLN 44 HB2 GLN 44 -6.466 3.747 8.736 384 HB3 GLN 44 HB3 GLN 44 -6.212 3.060 10.327 385 HG2 GLN 44 HG2 GLN 44 -6.012 5.306 10.843 386 HG3 GLN 44 HG3 GLN 44 -4.327 4.949 10.495 387 HE21 GLN 44 HE21 GLN 44 -6.907 7.003 9.624 388 HE22 GLN 44 HE22 GLN 44 -6.241 7.614 8.192 389 H LEU 45 H LEU 45 -5.213 3.400 6.689 390 HA LEU 45 HA LEU 45 -6.427 0.973 5.827 391 HB2 LEU 45 HB2 LEU 45 -7.025 3.043 4.747 392 HB3 LEU 45 HB3 LEU 45 -5.348 3.355 4.310 393 HG LEU 45 HG LEU 45 -5.336 1.409 2.805 394 HD11 LEU 45 HD11 LEU 45 -7.642 0.380 2.389 395 HD12 LEU 45 HD12 LEU 45 -8.020 0.922 4.042 396 HD13 LEU 45 HD13 LEU 45 -6.653 -0.176 3.730 397 HD21 LEU 45 HD21 LEU 45 -7.920 2.606 1.991 398 HD22 LEU 45 HD22 LEU 45 -6.396 2.524 1.118 399 HD23 LEU 45 HD23 LEU 45 -6.666 3.779 2.335 400 H ALA 46 H ALA 46 -3.276 2.431 5.354 401 HA ALA 46 HA ALA 46 -2.235 0.615 3.593 402 HB1 ALA 46 HB1 ALA 46 -0.571 1.994 5.648 403 HB2 ALA 46 HB2 ALA 46 -1.312 2.839 4.266 404 HB3 ALA 46 HB3 ALA 46 -0.139 1.541 3.997 405 H LEU 47 H LEU 47 -2.585 0.419 7.049 406 HA LEU 47 HA LEU 47 -0.582 -1.402 7.622 407 HB2 LEU 47 HB2 LEU 47 -1.791 -0.228 9.373 408 HB3 LEU 47 HB3 LEU 47 -3.266 -1.096 8.977 409 HG LEU 47 HG LEU 47 -2.210 -3.246 9.613 410 HD11 LEU 47 HD11 LEU 47 0.181 -1.542 10.339 411 HD12 LEU 47 HD12 LEU 47 0.129 -2.724 9.020 412 HD13 LEU 47 HD13 LEU 47 -0.005 -3.247 10.691 413 HD21 LEU 47 HD21 LEU 47 -3.274 -2.435 11.504 414 HD22 LEU 47 HD22 LEU 47 -2.312 -0.954 11.557 415 HD23 LEU 47 HD23 LEU 47 -1.619 -2.476 12.089 416 H LYS 48 H LYS 48 -3.958 -2.082 6.716 417 HA LYS 48 HA LYS 48 -3.756 -4.909 6.935 418 HB2 LYS 48 HB2 LYS 48 -5.554 -3.191 5.226 419 HB3 LYS 48 HB3 LYS 48 -5.710 -4.935 5.379 420 HG2 LYS 48 HG2 LYS 48 -6.021 -4.724 7.824 421 HG3 LYS 48 HG3 LYS 48 -5.858 -2.973 7.700 422 HD2 LYS 48 HD2 LYS 48 -7.793 -2.871 6.210 423 HD3 LYS 48 HD3 LYS 48 -7.985 -4.622 6.310 424 HE2 LYS 48 HE2 LYS 48 -8.382 -4.459 8.728 425 HE3 LYS 48 HE3 LYS 48 -8.164 -2.709 8.661 426 HZ1 LYS 48 HZ1 LYS 48 -10.429 -4.317 7.938 427 HZ2 LYS 48 HZ2 LYS 48 -10.024 -3.194 6.723 428 HZ3 LYS 48 HZ3 LYS 48 -10.347 -2.691 8.326 429 H ILE 49 H ILE 49 -3.337 -2.710 4.215 430 HA ILE 49 HA ILE 49 -2.651 -4.790 2.386 431 HB ILE 49 HB ILE 49 -3.567 -2.782 1.472 432 HG12 ILE 49 HG12 ILE 49 -0.654 -2.612 0.769 433 HG13 ILE 49 HG13 ILE 49 -1.650 -3.940 0.165 434 HG21 ILE 49 HG21 ILE 49 -2.427 -0.614 1.609 435 HG22 ILE 49 HG22 ILE 49 -1.248 -1.315 2.707 436 HG23 ILE 49 HG23 ILE 49 -2.963 -1.215 3.173 437 HD11 ILE 49 HD11 ILE 49 -2.076 -0.974 -0.317 438 HD12 ILE 49 HD12 ILE 49 -3.190 -2.242 -0.832 439 HD13 ILE 49 HD13 ILE 49 -1.555 -2.168 -1.493 440 H ALA 50 H ALA 50 -0.777 -2.556 4.389 441 HA ALA 50 HA ALA 50 1.789 -3.355 3.531 442 HB1 ALA 50 HB1 ALA 50 2.600 -2.362 5.583 443 HB2 ALA 50 HB2 ALA 50 1.007 -2.455 6.308 444 HB3 ALA 50 HB3 ALA 50 1.299 -1.356 4.961 445 H TYR 51 H TYR 51 -0.322 -4.515 6.132 446 HA TYR 51 HA TYR 51 1.403 -6.428 7.233 447 HB2 TYR 51 HB2 TYR 51 -0.640 -5.669 8.341 448 HB3 TYR 51 HB3 TYR 51 -1.625 -6.406 7.086 449 HD1 TYR 51 HD1 TYR 51 0.894 -7.170 9.749 450 HD2 TYR 51 HD2 TYR 51 -2.255 -8.702 7.241 451 HE1 TYR 51 HE1 TYR 51 0.892 -9.283 11.031 452 HE2 TYR 51 HE2 TYR 51 -2.240 -10.814 8.526 453 HH TYR 51 HH TYR 51 -0.362 -12.042 9.965 454 H TYR 52 H TYR 52 -1.116 -6.774 4.761 455 HA TYR 52 HA TYR 52 -0.355 -9.474 4.161 456 HB2 TYR 52 HB2 TYR 52 -2.315 -7.569 2.910 457 HB3 TYR 52 HB3 TYR 52 -1.841 -9.040 2.064 458 HD1 TYR 52 HD1 TYR 52 -2.183 -11.284 3.068 459 HD2 TYR 52 HD2 TYR 52 -3.682 -7.719 4.961 460 HE1 TYR 52 HE1 TYR 52 -3.615 -12.655 4.519 461 HE2 TYR 52 HE2 TYR 52 -5.118 -9.096 6.411 462 HH TYR 52 HH TYR 52 -6.078 -11.258 6.535 463 H LEU 53 H LEU 53 0.653 -6.369 3.080 464 HA LEU 53 HA LEU 53 1.959 -7.332 0.731 465 HB2 LEU 53 HB2 LEU 53 2.007 -4.760 2.221 466 HB3 LEU 53 HB3 LEU 53 3.311 -5.087 1.110 467 HG LEU 53 HG LEU 53 0.370 -5.216 0.363 468 HD11 LEU 53 HD11 LEU 53 2.476 -3.209 -0.438 469 HD12 LEU 53 HD12 LEU 53 1.362 -2.922 0.897 470 HD13 LEU 53 HD13 LEU 53 0.746 -3.128 -0.756 471 HD21 LEU 53 HD21 LEU 53 2.689 -6.358 -0.842 472 HD22 LEU 53 HD22 LEU 53 2.293 -4.916 -1.766 473 HD23 LEU 53 HD23 LEU 53 1.089 -6.187 -1.546 474 H ASN 54 H ASN 54 2.609 -8.143 3.791 475 HA ASN 54 HA ASN 54 4.549 -8.940 4.793 476 HB2 ASN 54 HB2 ASN 54 5.278 -9.008 1.890 477 HB3 ASN 54 HB3 ASN 54 6.437 -9.439 3.100 478 HD21 ASN 54 HD21 ASN 54 4.213 -10.850 1.075 479 HD22 ASN 54 HD22 ASN 54 3.784 -12.196 2.007 480 H THR 55 H THR 55 4.105 -6.156 4.648 481 HA THR 55 HA THR 55 6.844 -5.221 4.838 482 HB THR 55 HB THR 55 5.136 -4.810 2.690 483 HG1 THR 55 HG1 THR 55 7.355 -3.127 3.114 484 HG21 THR 55 HG21 THR 55 5.008 -2.297 2.570 485 HG22 THR 55 HG22 THR 55 5.430 -2.240 4.285 486 HG23 THR 55 HG23 THR 55 3.941 -3.031 3.760 487 HA PRO 56 HA PRO 56 4.849 -3.798 8.629 488 HB2 PRO 56 HB2 PRO 56 7.304 -2.193 8.993 489 HB3 PRO 56 HB3 PRO 56 6.561 -3.390 10.053 490 HG2 PRO 56 HG2 PRO 56 8.768 -4.015 8.752 491 HG3 PRO 56 HG3 PRO 56 7.466 -5.206 8.942 492 HD2 PRO 56 HD2 PRO 56 8.161 -3.586 6.515 493 HD3 PRO 56 HD3 PRO 56 7.659 -5.293 6.648 494 H LEU 57 H LEU 57 3.690 -2.019 9.223 495 HA LEU 57 HA LEU 57 3.159 0.041 7.359 496 HB2 LEU 57 HB2 LEU 57 1.599 -0.790 9.132 497 HB3 LEU 57 HB3 LEU 57 2.573 0.014 10.348 498 HG LEU 57 HG LEU 57 0.550 1.319 9.631 499 HD11 LEU 57 HD11 LEU 57 2.971 2.297 10.323 500 HD12 LEU 57 HD12 LEU 57 1.585 3.305 9.940 501 HD13 LEU 57 HD13 LEU 57 2.805 3.013 8.716 502 HD21 LEU 57 HD21 LEU 57 0.836 0.548 7.167 503 HD22 LEU 57 HD22 LEU 57 2.016 1.861 7.043 504 HD23 LEU 57 HD23 LEU 57 0.336 2.195 7.478 505 H GLU 58 H GLU 58 5.031 -0.092 10.323 506 HA GLU 58 HA GLU 58 5.868 2.633 10.344 507 HB2 GLU 58 HB2 GLU 58 7.055 0.161 11.620 508 HB3 GLU 58 HB3 GLU 58 7.586 1.803 11.935 509 HG2 GLU 58 HG2 GLU 58 5.386 2.452 12.741 510 HG3 GLU 58 HG3 GLU 58 4.725 0.873 12.352 511 H ASP 59 H ASP 59 6.940 -0.211 8.681 512 HA ASP 59 HA ASP 59 9.576 0.729 8.094 513 HB2 ASP 59 HB2 ASP 59 8.835 -1.709 7.982 514 HB3 ASP 59 HB3 ASP 59 8.088 -1.297 6.431 515 H ILE 60 H ILE 60 6.469 1.079 6.571 516 HA ILE 60 HA ILE 60 7.683 2.363 4.259 517 HB ILE 60 HB ILE 60 5.424 2.581 3.379 518 HG12 ILE 60 HG12 ILE 60 4.484 1.221 5.924 519 HG13 ILE 60 HG13 ILE 60 4.260 2.951 5.624 520 HG21 ILE 60 HG21 ILE 60 6.089 -0.100 4.595 521 HG22 ILE 60 HG22 ILE 60 6.512 0.462 2.971 522 HG23 ILE 60 HG23 ILE 60 4.821 0.124 3.395 523 HD11 ILE 60 HD11 ILE 60 3.236 1.910 3.326 524 HD12 ILE 60 HD12 ILE 60 2.267 2.236 4.763 525 HD13 ILE 60 HD13 ILE 60 2.880 0.610 4.451 526 H PHE 61 H PHE 61 5.792 3.303 7.091 527 HA PHE 61 HA PHE 61 5.664 6.026 6.233 528 HB2 PHE 61 HB2 PHE 61 3.986 4.986 7.810 529 HB3 PHE 61 HB3 PHE 61 5.227 5.029 9.054 530 HD1 PHE 61 HD1 PHE 61 4.527 7.591 6.365 531 HD2 PHE 61 HD2 PHE 61 4.453 6.677 10.585 532 HE1 PHE 61 HE1 PHE 61 3.985 9.928 6.865 533 HE2 PHE 61 HE2 PHE 61 3.894 9.032 11.067 534 HZ PHE 61 HZ PHE 61 3.660 10.665 9.213 535 H GLN 62 H GLN 62 8.075 5.672 5.806 536 HA GLN 62 HA GLN 62 9.465 7.466 7.590 537 HB2 GLN 62 HB2 GLN 62 11.485 5.877 7.706 538 HB3 GLN 62 HB3 GLN 62 10.150 5.554 8.805 539 HG2 GLN 62 HG2 GLN 62 9.545 3.610 7.744 540 HG3 GLN 62 HG3 GLN 62 9.924 4.228 6.154 541 HE21 GLN 62 HE21 GLN 62 10.841 1.806 6.309 542 HE22 GLN 62 HE22 GLN 62 12.495 1.694 6.686 543 H TRP 63 H TRP 63 8.558 7.747 5.037 544 HA TRP 63 HA TRP 63 10.300 6.959 2.996 545 HB2 TRP 63 HB2 TRP 63 8.552 9.430 3.095 546 HB3 TRP 63 HB3 TRP 63 9.207 8.672 1.647 547 HD1 TRP 63 HD1 TRP 63 8.624 5.794 1.747 548 HE1 TRP 63 HE1 TRP 63 6.310 4.786 2.001 549 HE3 TRP 63 HE3 TRP 63 6.201 9.781 3.827 550 HZ2 TRP 63 HZ2 TRP 63 3.690 5.573 2.983 551 HZ3 TRP 63 HZ3 TRP 63 3.798 9.623 4.411 552 HH2 TRP 63 HH2 TRP 63 2.544 7.516 3.989 553 H GLN 64 H GLN 64 12.258 7.667 2.407 554 HA GLN 64 HA GLN 64 13.284 10.131 3.696 555 HB2 GLN 64 HB2 GLN 64 15.290 8.217 2.611 556 HB3 GLN 64 HB3 GLN 64 15.281 9.131 4.096 557 HG2 GLN 64 HG2 GLN 64 13.229 6.953 4.058 558 HG3 GLN 64 HG3 GLN 64 14.884 6.417 3.918 559 HE21 GLN 64 HE21 GLN 64 12.661 6.824 6.216 560 HE22 GLN 64 HE22 GLN 64 13.657 7.288 7.517 561 HA PRO 65 HA PRO 65 13.054 11.187 -0.842 562 HB2 PRO 65 HB2 PRO 65 12.908 13.856 0.487 563 HB3 PRO 65 HB3 PRO 65 12.002 13.225 -0.901 564 HG2 PRO 65 HG2 PRO 65 10.820 13.424 1.431 565 HG3 PRO 65 HG3 PRO 65 10.546 11.999 0.409 566 HD2 PRO 65 HD2 PRO 65 12.234 12.227 2.874 567 HD3 PRO 65 HD3 PRO 65 11.222 10.876 2.296 568 H GLU 66 H GLU 66 14.854 12.432 1.905 569 HA GLU 66 HA GLU 66 17.212 12.817 0.178 570 HB2 GLU 66 HB2 GLU 66 17.845 14.594 1.960 571 HB3 GLU 66 HB3 GLU 66 16.734 15.047 0.680 572 HG2 GLU 66 HG2 GLU 66 14.842 14.375 2.333 573 HG3 GLU 66 HG3 GLU 66 16.096 14.307 3.548 Start of MODEL 20 1 H1 MET 1 H1 MET 1 12.873 9.283 -5.016 2 HA MET 1 HA MET 1 10.318 8.991 -4.094 3 HB2 MET 1 HB2 MET 1 10.978 6.794 -6.077 4 HB3 MET 1 HB3 MET 1 9.649 6.757 -4.925 5 HG2 MET 1 HG2 MET 1 8.658 8.764 -5.936 6 HG3 MET 1 HG3 MET 1 10.003 8.903 -7.045 7 HE1 MET 1 HE1 MET 1 7.198 7.017 -5.678 8 HE2 MET 1 HE2 MET 1 7.848 5.408 -6.076 9 HE3 MET 1 HE3 MET 1 6.503 6.084 -6.991 10 H ILE 2 H ILE 2 12.615 9.248 -2.854 11 HA ILE 2 HA ILE 2 14.357 7.373 -2.203 12 HB ILE 2 HB ILE 2 14.120 8.162 0.257 13 HG12 ILE 2 HG12 ILE 2 11.974 9.817 -1.149 14 HG13 ILE 2 HG13 ILE 2 11.893 8.997 0.408 15 HG21 ILE 2 HG21 ILE 2 15.392 10.070 -0.242 16 HG22 ILE 2 HG22 ILE 2 14.510 10.400 -1.727 17 HG23 ILE 2 HG23 ILE 2 15.643 9.051 -1.654 18 HD11 ILE 2 HD11 ILE 2 12.071 11.307 0.866 19 HD12 ILE 2 HD12 ILE 2 13.397 11.527 -0.264 20 HD13 ILE 2 HD13 ILE 2 13.662 10.634 1.232 21 H ILE 3 H ILE 3 11.369 7.481 -0.286 22 HA ILE 3 HA ILE 3 11.739 4.903 0.821 23 HB ILE 3 HB ILE 3 9.297 6.656 0.571 24 HG12 ILE 3 HG12 ILE 3 11.040 5.972 2.956 25 HG13 ILE 3 HG13 ILE 3 11.210 7.425 1.986 26 HG21 ILE 3 HG21 ILE 3 8.108 4.780 1.075 27 HG22 ILE 3 HG22 ILE 3 8.819 4.907 2.672 28 HG23 ILE 3 HG23 ILE 3 9.543 3.848 1.479 29 HD11 ILE 3 HD11 ILE 3 8.936 8.133 2.516 30 HD12 ILE 3 HD12 ILE 3 9.805 7.819 4.018 31 HD13 ILE 3 HD13 ILE 3 8.651 6.644 3.408 32 H ASN 4 H ASN 4 9.852 6.112 -1.868 33 HA ASN 4 HA ASN 4 9.160 5.105 -3.788 34 HB2 ASN 4 HB2 ASN 4 10.665 2.816 -2.702 35 HB3 ASN 4 HB3 ASN 4 9.166 2.319 -3.460 36 HD21 ASN 4 HD21 ASN 4 11.354 5.065 -4.329 37 HD22 ASN 4 HD22 ASN 4 11.647 4.473 -5.889 38 H ASN 5 H ASN 5 7.121 5.185 -4.139 39 HA ASN 5 HA ASN 5 5.229 5.260 -2.159 40 HB2 ASN 5 HB2 ASN 5 5.102 6.070 -4.660 41 HB3 ASN 5 HB3 ASN 5 4.357 4.506 -4.926 42 HD21 ASN 5 HD21 ASN 5 3.724 7.707 -3.955 43 HD22 ASN 5 HD22 ASN 5 2.183 7.444 -3.307 44 H LEU 6 H LEU 6 3.142 4.005 -2.178 45 HA LEU 6 HA LEU 6 3.545 1.461 -1.097 46 HB2 LEU 6 HB2 LEU 6 1.491 3.144 -1.016 47 HB3 LEU 6 HB3 LEU 6 0.931 2.214 -2.385 48 HG LEU 6 HG LEU 6 -0.058 1.245 -0.451 49 HD11 LEU 6 HD11 LEU 6 1.031 -0.317 -2.177 50 HD12 LEU 6 HD12 LEU 6 0.548 -0.977 -0.627 51 HD13 LEU 6 HD13 LEU 6 2.247 -0.629 -0.927 52 HD21 LEU 6 HD21 LEU 6 2.538 1.862 0.784 53 HD22 LEU 6 HD22 LEU 6 1.964 0.241 1.188 54 HD23 LEU 6 HD23 LEU 6 0.959 1.644 1.518 55 H LYS 7 H LYS 7 2.535 2.475 -4.318 56 HA LYS 7 HA LYS 7 2.000 -0.069 -5.446 57 HB2 LYS 7 HB2 LYS 7 3.417 1.587 -7.374 58 HB3 LYS 7 HB3 LYS 7 1.754 1.063 -7.378 59 HG2 LYS 7 HG2 LYS 7 2.814 3.460 -5.843 60 HG3 LYS 7 HG3 LYS 7 2.028 3.517 -7.401 61 HD2 LYS 7 HD2 LYS 7 -0.033 2.512 -6.400 62 HD3 LYS 7 HD3 LYS 7 0.758 2.520 -4.823 63 HE2 LYS 7 HE2 LYS 7 1.032 4.985 -4.981 64 HE3 LYS 7 HE3 LYS 7 0.196 4.963 -6.510 65 HZ1 LYS 7 HZ1 LYS 7 -1.044 5.332 -4.236 66 HZ2 LYS 7 HZ2 LYS 7 -1.162 3.644 -4.276 67 HZ3 LYS 7 HZ3 LYS 7 -1.785 4.622 -5.557 68 H LEU 8 H LEU 8 4.919 1.869 -5.269 69 HA LEU 8 HA LEU 8 6.570 0.160 -6.666 70 HB2 LEU 8 HB2 LEU 8 7.086 2.364 -4.693 71 HB3 LEU 8 HB3 LEU 8 8.416 1.373 -5.270 72 HG LEU 8 HG LEU 8 8.234 3.341 -6.700 73 HD11 LEU 8 HD11 LEU 8 8.512 2.264 -8.652 74 HD12 LEU 8 HD12 LEU 8 7.035 1.332 -8.520 75 HD13 LEU 8 HD13 LEU 8 8.476 0.832 -7.637 76 HD21 LEU 8 HD21 LEU 8 5.716 3.670 -6.219 77 HD22 LEU 8 HD22 LEU 8 5.435 2.448 -7.464 78 HD23 LEU 8 HD23 LEU 8 6.245 3.948 -7.872 79 H ILE 9 H ILE 9 5.893 0.405 -3.205 80 HA ILE 9 HA ILE 9 7.714 -1.615 -2.367 81 HB ILE 9 HB ILE 9 5.076 -0.865 -1.051 82 HG12 ILE 9 HG12 ILE 9 6.454 1.201 -1.269 83 HG13 ILE 9 HG13 ILE 9 6.472 0.633 0.370 84 HG21 ILE 9 HG21 ILE 9 6.765 -1.491 0.964 85 HG22 ILE 9 HG22 ILE 9 7.420 -2.525 -0.297 86 HG23 ILE 9 HG23 ILE 9 5.729 -2.694 0.189 87 HD11 ILE 9 HD11 ILE 9 8.616 -0.553 -0.013 88 HD12 ILE 9 HD12 ILE 9 8.721 1.190 -0.228 89 HD13 ILE 9 HD13 ILE 9 8.679 0.151 -1.637 90 H ARG 10 H ARG 10 4.366 -1.627 -3.379 91 HA ARG 10 HA ARG 10 3.554 -4.212 -2.785 92 HB2 ARG 10 HB2 ARG 10 2.203 -2.314 -3.743 93 HB3 ARG 10 HB3 ARG 10 2.898 -2.710 -5.310 94 HG2 ARG 10 HG2 ARG 10 2.022 -5.096 -4.904 95 HG3 ARG 10 HG3 ARG 10 1.089 -4.402 -3.597 96 HD2 ARG 10 HD2 ARG 10 -0.303 -4.362 -5.598 97 HD3 ARG 10 HD3 ARG 10 0.108 -2.715 -5.129 98 HE ARG 10 HE ARG 10 1.853 -4.051 -7.080 99 HH11 ARG 10 HH11 ARG 10 -0.753 -1.778 -6.545 100 HH12 ARG 10 HH12 ARG 10 -0.429 -0.879 -7.953 101 HH21 ARG 10 HH21 ARG 10 2.262 -2.843 -8.990 102 HH22 ARG 10 HH22 ARG 10 1.316 -1.491 -9.372 103 H GLU 11 H GLU 11 5.071 -3.072 -5.835 104 HA GLU 11 HA GLU 11 4.977 -5.617 -7.073 105 HB2 GLU 11 HB2 GLU 11 7.020 -4.378 -8.451 106 HB3 GLU 11 HB3 GLU 11 5.319 -4.239 -8.803 107 HG2 GLU 11 HG2 GLU 11 5.095 -2.242 -7.535 108 HG3 GLU 11 HG3 GLU 11 6.723 -2.360 -6.888 109 H LYS 12 H LYS 12 7.489 -4.051 -5.219 110 HA LYS 12 HA LYS 12 9.613 -5.724 -5.904 111 HB2 LYS 12 HB2 LYS 12 9.098 -4.414 -3.213 112 HB3 LYS 12 HB3 LYS 12 10.651 -4.994 -3.803 113 HG2 LYS 12 HG2 LYS 12 9.008 -2.860 -5.149 114 HG3 LYS 12 HG3 LYS 12 10.385 -2.532 -4.109 115 HD2 LYS 12 HD2 LYS 12 11.861 -3.056 -5.721 116 HD3 LYS 12 HD3 LYS 12 10.982 -4.443 -6.329 117 HE2 LYS 12 HE2 LYS 12 10.273 -1.530 -6.833 118 HE3 LYS 12 HE3 LYS 12 11.068 -2.605 -7.980 119 HZ1 LYS 12 HZ1 LYS 12 8.397 -3.263 -6.848 120 HZ2 LYS 12 HZ2 LYS 12 9.150 -3.860 -8.256 121 HZ3 LYS 12 HZ3 LYS 12 8.601 -2.266 -8.186 122 H LYS 13 H LYS 13 7.083 -6.194 -3.557 123 HA LYS 13 HA LYS 13 8.253 -8.744 -2.766 124 HB2 LYS 13 HB2 LYS 13 6.174 -8.888 -1.315 125 HB3 LYS 13 HB3 LYS 13 7.339 -7.621 -0.926 126 HG2 LYS 13 HG2 LYS 13 5.973 -5.971 -2.107 127 HG3 LYS 13 HG3 LYS 13 4.845 -7.232 -2.603 128 HD2 LYS 13 HD2 LYS 13 3.740 -6.553 -0.767 129 HD3 LYS 13 HD3 LYS 13 4.824 -7.682 0.045 130 HE2 LYS 13 HE2 LYS 13 5.774 -4.851 -0.341 131 HE3 LYS 13 HE3 LYS 13 4.549 -5.149 0.851 132 HZ1 LYS 13 HZ1 LYS 13 6.110 -6.875 1.862 133 HZ2 LYS 13 HZ2 LYS 13 6.564 -5.276 1.858 134 HZ3 LYS 13 HZ3 LYS 13 7.297 -6.287 0.773 135 H LYS 14 H LYS 14 6.847 -7.902 -5.434 136 HA LYS 14 HA LYS 14 5.787 -9.034 -7.126 137 HB2 LYS 14 HB2 LYS 14 6.098 -11.485 -5.434 138 HB3 LYS 14 HB3 LYS 14 6.064 -11.398 -7.192 139 HG2 LYS 14 HG2 LYS 14 8.257 -10.346 -5.359 140 HG3 LYS 14 HG3 LYS 14 8.389 -11.736 -6.409 141 HD2 LYS 14 HD2 LYS 14 7.598 -9.371 -7.993 142 HD3 LYS 14 HD3 LYS 14 8.989 -9.060 -7.009 143 HE2 LYS 14 HE2 LYS 14 9.609 -10.015 -9.213 144 HE3 LYS 14 HE3 LYS 14 10.223 -10.945 -7.849 145 HZ1 LYS 14 HZ1 LYS 14 8.696 -12.642 -8.227 146 HZ2 LYS 14 HZ2 LYS 14 9.018 -12.138 -9.796 147 HZ3 LYS 14 HZ3 LYS 14 7.602 -11.630 -9.043 148 H ILE 15 H ILE 15 4.062 -7.791 -5.424 149 HA ILE 15 HA ILE 15 1.826 -9.675 -5.281 150 HB ILE 15 HB ILE 15 2.724 -7.583 -3.339 151 HG12 ILE 15 HG12 ILE 15 1.538 -10.229 -2.673 152 HG13 ILE 15 HG13 ILE 15 3.139 -10.233 -3.370 153 HG21 ILE 15 HG21 ILE 15 0.685 -6.972 -2.742 154 HG22 ILE 15 HG22 ILE 15 0.214 -8.630 -2.496 155 HG23 ILE 15 HG23 ILE 15 -0.014 -7.868 -4.083 156 HD11 ILE 15 HD11 ILE 15 4.059 -9.160 -1.573 157 HD12 ILE 15 HD12 ILE 15 2.792 -10.075 -0.765 158 HD13 ILE 15 HD13 ILE 15 2.544 -8.356 -1.096 159 H SER 16 H SER 16 -0.012 -9.221 -6.224 160 HA SER 16 HA SER 16 -0.098 -6.896 -7.946 161 HB2 SER 16 HB2 SER 16 -2.487 -8.348 -8.213 162 HB3 SER 16 HB3 SER 16 -1.115 -8.398 -9.286 163 HG SER 16 HG SER 16 -1.720 -9.984 -7.011 164 H GLN 17 H GLN 17 -2.401 -5.930 -8.198 165 HA GLN 17 HA GLN 17 -2.998 -4.490 -5.835 166 HB2 GLN 17 HB2 GLN 17 -4.502 -4.838 -8.430 167 HB3 GLN 17 HB3 GLN 17 -5.105 -3.852 -7.106 168 HG2 GLN 17 HG2 GLN 17 -2.387 -3.462 -8.398 169 HG3 GLN 17 HG3 GLN 17 -3.829 -2.533 -8.794 170 HE21 GLN 17 HE21 GLN 17 -4.749 -1.147 -7.110 171 HE22 GLN 17 HE22 GLN 17 -3.795 -0.658 -5.784 172 H SER 18 H SER 18 -4.366 -7.382 -7.290 173 HA SER 18 HA SER 18 -6.685 -7.545 -5.782 174 HB2 SER 18 HB2 SER 18 -4.971 -9.835 -6.739 175 HB3 SER 18 HB3 SER 18 -6.666 -9.921 -6.304 176 HG SER 18 HG SER 18 -6.194 -9.671 -8.589 177 H GLU 19 H GLU 19 -3.406 -8.819 -5.050 178 HA GLU 19 HA GLU 19 -4.167 -9.806 -2.474 179 HB2 GLU 19 HB2 GLU 19 -1.460 -9.138 -3.694 180 HB3 GLU 19 HB3 GLU 19 -1.690 -9.807 -2.075 181 HG2 GLU 19 HG2 GLU 19 -1.216 -11.600 -3.373 182 HG3 GLU 19 HG3 GLU 19 -2.974 -11.705 -3.245 183 H LEU 20 H LEU 20 -2.705 -6.871 -3.634 184 HA LEU 20 HA LEU 20 -2.217 -5.799 -1.107 185 HB2 LEU 20 HB2 LEU 20 -1.117 -4.915 -3.057 186 HB3 LEU 20 HB3 LEU 20 -2.658 -4.420 -3.752 187 HG LEU 20 HG LEU 20 -3.022 -2.823 -1.907 188 HD11 LEU 20 HD11 LEU 20 -1.857 -4.154 -0.187 189 HD12 LEU 20 HD12 LEU 20 -1.302 -2.472 -0.232 190 HD13 LEU 20 HD13 LEU 20 -0.340 -3.755 -0.986 191 HD21 LEU 20 HD21 LEU 20 -0.190 -2.488 -2.944 192 HD22 LEU 20 HD22 LEU 20 -1.333 -1.225 -2.500 193 HD23 LEU 20 HD23 LEU 20 -1.619 -2.188 -3.941 194 H ALA 21 H ALA 21 -4.839 -5.115 -3.364 195 HA ALA 21 HA ALA 21 -6.018 -3.213 -1.663 196 HB1 ALA 21 HB1 ALA 21 -7.793 -3.104 -3.400 197 HB2 ALA 21 HB2 ALA 21 -6.882 -4.363 -4.290 198 HB3 ALA 21 HB3 ALA 21 -6.143 -2.818 -3.929 199 H ALA 22 H ALA 22 -6.758 -6.569 -2.061 200 HA ALA 22 HA ALA 22 -9.434 -6.551 -1.334 201 HB1 ALA 22 HB1 ALA 22 -9.097 -8.946 -0.667 202 HB2 ALA 22 HB2 ALA 22 -7.378 -8.721 -0.960 203 HB3 ALA 22 HB3 ALA 22 -8.530 -8.537 -2.284 204 H LEU 23 H LEU 23 -6.722 -7.116 0.842 205 HA LEU 23 HA LEU 23 -8.216 -7.858 3.054 206 HB2 LEU 23 HB2 LEU 23 -5.435 -6.675 3.101 207 HB3 LEU 23 HB3 LEU 23 -6.226 -7.569 4.382 208 HG LEU 23 HG LEU 23 -5.131 -9.369 3.420 209 HD11 LEU 23 HD11 LEU 23 -7.584 -9.802 3.147 210 HD12 LEU 23 HD12 LEU 23 -6.535 -10.657 2.033 211 HD13 LEU 23 HD13 LEU 23 -7.430 -9.271 1.462 212 HD21 LEU 23 HD21 LEU 23 -5.414 -8.778 0.574 213 HD22 LEU 23 HD22 LEU 23 -3.987 -9.196 1.495 214 HD23 LEU 23 HD23 LEU 23 -4.517 -7.527 1.422 215 H LEU 24 H LEU 24 -7.469 -4.658 2.132 216 HA LEU 24 HA LEU 24 -7.516 -3.440 4.647 217 HB2 LEU 24 HB2 LEU 24 -8.323 -1.390 3.060 218 HB3 LEU 24 HB3 LEU 24 -6.660 -1.914 3.244 219 HG LEU 24 HG LEU 24 -8.441 -3.174 1.129 220 HD11 LEU 24 HD11 LEU 24 -6.682 -1.308 -0.019 221 HD12 LEU 24 HD12 LEU 24 -7.631 -0.440 1.189 222 HD13 LEU 24 HD13 LEU 24 -8.433 -1.366 -0.094 223 HD21 LEU 24 HD21 LEU 24 -6.534 -4.335 0.711 224 HD22 LEU 24 HD22 LEU 24 -5.695 -3.500 2.016 225 HD23 LEU 24 HD23 LEU 24 -5.714 -2.835 0.388 226 H GLU 25 H GLU 25 -10.021 -5.071 3.584 227 HA GLU 25 HA GLU 25 -12.262 -5.063 3.879 228 HB2 GLU 25 HB2 GLU 25 -11.463 -3.502 6.358 229 HB3 GLU 25 HB3 GLU 25 -13.029 -4.253 6.093 230 HG2 GLU 25 HG2 GLU 25 -11.885 -6.481 5.797 231 HG3 GLU 25 HG3 GLU 25 -10.363 -5.716 6.184 232 H VAL 26 H VAL 26 -11.425 -3.127 2.115 233 HA VAL 26 HA VAL 26 -13.766 -1.370 2.221 234 HB VAL 26 HB VAL 26 -12.507 0.399 1.010 235 HG11 VAL 26 HG11 VAL 26 -11.503 -0.357 3.760 236 HG12 VAL 26 HG12 VAL 26 -12.708 0.865 3.303 237 HG13 VAL 26 HG13 VAL 26 -11.011 1.121 2.923 238 HG21 VAL 26 HG21 VAL 26 -10.700 -1.042 0.076 239 HG22 VAL 26 HG22 VAL 26 -10.052 -1.252 1.707 240 HG23 VAL 26 HG23 VAL 26 -10.049 0.337 0.949 241 H SER 27 H SER 27 -14.437 -0.838 -0.095 242 HA SER 27 HA SER 27 -14.341 -3.191 -1.635 243 HB2 SER 27 HB2 SER 27 -14.961 -1.355 -3.517 244 HB3 SER 27 HB3 SER 27 -16.126 -1.947 -2.349 245 HG SER 27 HG SER 27 -14.569 0.426 -2.357 246 H ARG 28 H ARG 28 -12.869 -3.929 -3.019 247 HA ARG 28 HA ARG 28 -10.275 -2.951 -2.940 248 HB2 ARG 28 HB2 ARG 28 -10.941 -5.249 -3.470 249 HB3 ARG 28 HB3 ARG 28 -11.403 -4.746 -5.135 250 HG2 ARG 28 HG2 ARG 28 -8.917 -3.823 -5.156 251 HG3 ARG 28 HG3 ARG 28 -8.820 -4.819 -3.692 252 HD2 ARG 28 HD2 ARG 28 -8.026 -6.153 -5.526 253 HD3 ARG 28 HD3 ARG 28 -9.569 -6.790 -4.958 254 HE ARG 28 HE ARG 28 -10.176 -5.003 -6.988 255 HH11 ARG 28 HH11 ARG 28 -8.391 -7.982 -6.601 256 HH12 ARG 28 HH12 ARG 28 -8.512 -8.446 -8.235 257 HH21 ARG 28 HH21 ARG 28 -10.378 -5.618 -9.179 258 HH22 ARG 28 HH22 ARG 28 -9.677 -7.079 -9.742 259 H GLN 29 H GLN 29 -12.710 -2.703 -5.397 260 HA GLN 29 HA GLN 29 -11.350 -1.436 -7.437 261 HB2 GLN 29 HB2 GLN 29 -13.637 -0.433 -7.967 262 HB3 GLN 29 HB3 GLN 29 -13.537 -2.192 -7.896 263 HG2 GLN 29 HG2 GLN 29 -14.348 -2.103 -5.514 264 HG3 GLN 29 HG3 GLN 29 -14.530 -0.371 -5.677 265 HE21 GLN 29 HE21 GLN 29 -16.670 -2.410 -5.206 266 HE22 GLN 29 HE22 GLN 29 -17.737 -2.240 -6.503 267 H THR 30 H THR 30 -12.938 0.044 -4.608 268 HA THR 30 HA THR 30 -12.592 2.696 -5.422 269 HB THR 30 HB THR 30 -12.610 2.805 -2.674 270 HG1 THR 30 HG1 THR 30 -12.661 0.484 -2.534 271 HG21 THR 30 HG21 THR 30 -14.202 3.937 -4.123 272 HG22 THR 30 HG22 THR 30 -15.089 2.982 -2.950 273 HG23 THR 30 HG23 THR 30 -14.926 2.404 -4.603 274 H ILE 31 H ILE 31 -10.593 0.711 -3.202 275 HA ILE 31 HA ILE 31 -8.611 2.733 -2.950 276 HB ILE 31 HB ILE 31 -8.899 0.849 -1.308 277 HG12 ILE 31 HG12 ILE 31 -6.405 0.461 -1.033 278 HG13 ILE 31 HG13 ILE 31 -6.156 1.253 -2.570 279 HG21 ILE 31 HG21 ILE 31 -7.797 -0.769 -3.617 280 HG22 ILE 31 HG22 ILE 31 -9.205 -1.092 -2.607 281 HG23 ILE 31 HG23 ILE 31 -7.593 -1.251 -1.947 282 HD11 ILE 31 HD11 ILE 31 -7.797 2.699 -0.535 283 HD12 ILE 31 HD12 ILE 31 -6.685 3.333 -1.757 284 HD13 ILE 31 HD13 ILE 31 -6.055 2.585 -0.295 285 H ASN 32 H ASN 32 -9.026 -0.042 -5.072 286 HA ASN 32 HA ASN 32 -6.491 0.062 -6.252 287 HB2 ASN 32 HB2 ASN 32 -8.473 -1.689 -6.520 288 HB3 ASN 32 HB3 ASN 32 -8.860 -0.702 -7.924 289 HD21 ASN 32 HD21 ASN 32 -8.039 -3.308 -8.390 290 HD22 ASN 32 HD22 ASN 32 -6.464 -3.300 -9.020 291 H GLY 33 H GLY 33 -9.508 1.711 -7.025 292 HA2 GLY 33 HA2 GLY 33 -8.471 3.170 -9.266 293 HA3 GLY 33 HA3 GLY 33 -9.949 3.529 -8.380 294 H ILE 34 H ILE 34 -9.088 3.936 -5.825 295 HA ILE 34 HA ILE 34 -8.095 6.515 -6.066 296 HB ILE 34 HB ILE 34 -9.057 4.887 -3.821 297 HG12 ILE 34 HG12 ILE 34 -10.205 7.112 -3.377 298 HG13 ILE 34 HG13 ILE 34 -9.309 7.720 -4.783 299 HG21 ILE 34 HG21 ILE 34 -7.234 7.228 -3.240 300 HG22 ILE 34 HG22 ILE 34 -6.932 5.524 -2.838 301 HG23 ILE 34 HG23 ILE 34 -8.266 6.369 -2.091 302 HD11 ILE 34 HD11 ILE 34 -10.369 6.112 -6.245 303 HD12 ILE 34 HD12 ILE 34 -11.578 7.031 -5.361 304 HD13 ILE 34 HD13 ILE 34 -11.220 5.374 -4.875 305 H GLU 35 H GLU 35 -6.394 3.623 -4.952 306 HA GLU 35 HA GLU 35 -4.020 5.047 -4.358 307 HB2 GLU 35 HB2 GLU 35 -4.737 2.200 -4.646 308 HB3 GLU 35 HB3 GLU 35 -3.107 2.580 -5.178 309 HG2 GLU 35 HG2 GLU 35 -3.230 4.026 -2.861 310 HG3 GLU 35 HG3 GLU 35 -4.233 2.660 -2.438 311 H LYS 36 H LYS 36 -5.607 4.307 -7.213 312 HA LYS 36 HA LYS 36 -3.238 4.623 -8.833 313 HB2 LYS 36 HB2 LYS 36 -5.065 2.976 -9.423 314 HB3 LYS 36 HB3 LYS 36 -6.067 4.366 -9.857 315 HG2 LYS 36 HG2 LYS 36 -4.471 5.069 -11.543 316 HG3 LYS 36 HG3 LYS 36 -3.315 3.848 -11.021 317 HD2 LYS 36 HD2 LYS 36 -4.807 2.069 -11.708 318 HD3 LYS 36 HD3 LYS 36 -6.058 3.187 -12.203 319 HE2 LYS 36 HE2 LYS 36 -3.249 3.107 -13.350 320 HE3 LYS 36 HE3 LYS 36 -4.669 2.387 -14.107 321 HZ1 LYS 36 HZ1 LYS 36 -5.002 4.387 -15.035 322 HZ2 LYS 36 HZ2 LYS 36 -3.833 5.106 -14.080 323 HZ3 LYS 36 HZ3 LYS 36 -5.416 4.987 -13.524 324 H ASN 37 H ASN 37 -3.376 6.772 -7.364 325 HA ASN 37 HA ASN 37 -2.697 8.944 -8.100 326 HB2 ASN 37 HB2 ASN 37 -3.580 8.401 -10.432 327 HB3 ASN 37 HB3 ASN 37 -5.097 9.092 -9.799 328 HD21 ASN 37 HD21 ASN 37 -1.581 9.982 -9.845 329 HD22 ASN 37 HD22 ASN 37 -1.851 11.622 -10.135 330 H LYS 38 H LYS 38 -5.198 7.957 -6.277 331 HA LYS 38 HA LYS 38 -6.031 10.777 -5.856 332 HB2 LYS 38 HB2 LYS 38 -7.505 8.258 -5.784 333 HB3 LYS 38 HB3 LYS 38 -7.860 9.351 -4.449 334 HG2 LYS 38 HG2 LYS 38 -8.990 10.777 -5.779 335 HG3 LYS 38 HG3 LYS 38 -7.706 10.825 -6.974 336 HD2 LYS 38 HD2 LYS 38 -8.446 8.661 -7.842 337 HD3 LYS 38 HD3 LYS 38 -9.868 8.683 -6.772 338 HE2 LYS 38 HE2 LYS 38 -9.188 10.586 -9.054 339 HE3 LYS 38 HE3 LYS 38 -10.603 9.566 -8.893 340 HZ1 LYS 38 HZ1 LYS 38 -9.986 11.906 -7.128 341 HZ2 LYS 38 HZ2 LYS 38 -11.349 10.911 -6.998 342 HZ3 LYS 38 HZ3 LYS 38 -11.103 11.842 -8.369 343 H TYR 39 H TYR 39 -5.486 7.843 -3.934 344 HA TYR 39 HA TYR 39 -4.098 9.527 -1.976 345 HB2 TYR 39 HB2 TYR 39 -6.454 7.777 -1.204 346 HB3 TYR 39 HB3 TYR 39 -5.350 8.552 -0.092 347 HD1 TYR 39 HD1 TYR 39 -5.084 11.140 -0.233 348 HD2 TYR 39 HD2 TYR 39 -8.359 8.986 -2.008 349 HE1 TYR 39 HE1 TYR 39 -6.414 13.208 -0.292 350 HE2 TYR 39 HE2 TYR 39 -9.683 11.043 -2.068 351 HH TYR 39 HH TYR 39 -8.964 13.746 -0.298 352 H ASN 40 H ASN 40 -2.972 8.319 -0.412 353 HA ASN 40 HA ASN 40 -1.997 5.678 -1.277 354 HB2 ASN 40 HB2 ASN 40 -0.313 7.300 -0.484 355 HB3 ASN 40 HB3 ASN 40 -1.212 7.498 1.023 356 HD21 ASN 40 HD21 ASN 40 -1.295 5.539 2.509 357 HD22 ASN 40 HD22 ASN 40 -0.060 4.404 2.374 358 HA PRO 41 HA PRO 41 -4.874 3.772 1.510 359 HB2 PRO 41 HB2 PRO 41 -2.572 2.273 2.697 360 HB3 PRO 41 HB3 PRO 41 -4.139 1.663 2.121 361 HG2 PRO 41 HG2 PRO 41 -1.999 1.308 0.630 362 HG3 PRO 41 HG3 PRO 41 -3.528 1.775 -0.109 363 HD2 PRO 41 HD2 PRO 41 -1.104 3.437 0.338 364 HD3 PRO 41 HD3 PRO 41 -2.282 3.503 -0.969 365 H SER 42 H SER 42 -5.642 4.418 3.516 366 HA SER 42 HA SER 42 -4.348 6.449 4.919 367 HB2 SER 42 HB2 SER 42 -6.496 4.618 6.009 368 HB3 SER 42 HB3 SER 42 -6.209 6.280 6.441 369 HG SER 42 HG SER 42 -6.955 6.932 4.528 370 H LEU 43 H LEU 43 -2.971 6.416 6.674 371 HA LEU 43 HA LEU 43 -1.611 4.009 7.138 372 HB2 LEU 43 HB2 LEU 43 -1.523 6.551 8.764 373 HB3 LEU 43 HB3 LEU 43 -0.464 5.175 9.051 374 HG LEU 43 HG LEU 43 -0.618 6.899 6.555 375 HD11 LEU 43 HD11 LEU 43 1.637 6.225 8.430 376 HD12 LEU 43 HD12 LEU 43 0.826 7.797 8.307 377 HD13 LEU 43 HD13 LEU 43 1.783 7.158 6.957 378 HD21 LEU 43 HD21 LEU 43 1.368 5.247 5.916 379 HD22 LEU 43 HD22 LEU 43 -0.293 4.853 5.506 380 HD23 LEU 43 HD23 LEU 43 0.478 4.111 6.915 381 H GLN 44 H GLN 44 -4.310 5.419 8.628 382 HA GLN 44 HA GLN 44 -4.562 3.893 11.007 383 HB2 GLN 44 HB2 GLN 44 -6.673 4.790 9.021 384 HB3 GLN 44 HB3 GLN 44 -6.982 4.221 10.655 385 HG2 GLN 44 HG2 GLN 44 -5.840 6.076 11.625 386 HG3 GLN 44 HG3 GLN 44 -5.215 6.626 10.080 387 HE21 GLN 44 HE21 GLN 44 -6.455 8.688 10.865 388 HE22 GLN 44 HE22 GLN 44 -8.094 8.781 10.437 389 H LEU 45 H LEU 45 -5.623 3.319 7.658 390 HA LEU 45 HA LEU 45 -6.415 0.594 8.234 391 HB2 LEU 45 HB2 LEU 45 -7.594 0.618 6.284 392 HB3 LEU 45 HB3 LEU 45 -7.499 2.341 6.537 393 HG LEU 45 HG LEU 45 -5.242 2.143 5.128 394 HD11 LEU 45 HD11 LEU 45 -4.814 0.085 4.390 395 HD12 LEU 45 HD12 LEU 45 -6.228 0.216 3.361 396 HD13 LEU 45 HD13 LEU 45 -6.362 -0.534 4.952 397 HD21 LEU 45 HD21 LEU 45 -6.536 2.547 3.083 398 HD22 LEU 45 HD22 LEU 45 -7.321 3.373 4.430 399 HD23 LEU 45 HD23 LEU 45 -7.968 1.852 3.827 400 H ALA 46 H ALA 46 -3.678 2.209 6.949 401 HA ALA 46 HA ALA 46 -2.588 0.388 5.278 402 HB1 ALA 46 HB1 ALA 46 -1.569 2.559 5.632 403 HB2 ALA 46 HB2 ALA 46 -0.393 1.262 5.782 404 HB3 ALA 46 HB3 ALA 46 -1.001 2.044 7.235 405 H LEU 47 H LEU 47 -2.545 0.290 8.784 406 HA LEU 47 HA LEU 47 -0.552 -1.661 9.129 407 HB2 LEU 47 HB2 LEU 47 -2.964 -0.999 10.821 408 HB3 LEU 47 HB3 LEU 47 -1.728 -2.144 11.307 409 HG LEU 47 HG LEU 47 -1.046 0.708 10.509 410 HD11 LEU 47 HD11 LEU 47 -2.568 0.761 12.443 411 HD12 LEU 47 HD12 LEU 47 -0.920 1.178 12.926 412 HD13 LEU 47 HD13 LEU 47 -1.560 -0.430 13.267 413 HD21 LEU 47 HD21 LEU 47 0.827 -0.937 10.469 414 HD22 LEU 47 HD22 LEU 47 0.409 -1.438 12.105 415 HD23 LEU 47 HD23 LEU 47 1.009 0.182 11.809 416 H LYS 48 H LYS 48 -4.043 -2.044 8.664 417 HA LYS 48 HA LYS 48 -4.035 -4.868 9.010 418 HB2 LYS 48 HB2 LYS 48 -5.942 -3.115 7.444 419 HB3 LYS 48 HB3 LYS 48 -6.226 -4.794 7.886 420 HG2 LYS 48 HG2 LYS 48 -5.620 -2.662 9.927 421 HG3 LYS 48 HG3 LYS 48 -7.274 -3.059 9.444 422 HD2 LYS 48 HD2 LYS 48 -6.901 -5.412 10.190 423 HD3 LYS 48 HD3 LYS 48 -5.258 -5.013 10.666 424 HE2 LYS 48 HE2 LYS 48 -7.189 -4.966 12.469 425 HE3 LYS 48 HE3 LYS 48 -5.934 -3.735 12.485 426 HZ1 LYS 48 HZ1 LYS 48 -7.354 -2.166 11.515 427 HZ2 LYS 48 HZ2 LYS 48 -8.330 -2.936 12.617 428 HZ3 LYS 48 HZ3 LYS 48 -8.476 -3.290 10.982 429 H ILE 49 H ILE 49 -3.940 -2.817 6.145 430 HA ILE 49 HA ILE 49 -3.716 -4.975 4.293 431 HB ILE 49 HB ILE 49 -4.585 -2.809 3.609 432 HG12 ILE 49 HG12 ILE 49 -1.952 -3.445 2.206 433 HG13 ILE 49 HG13 ILE 49 -3.515 -4.177 1.832 434 HG21 ILE 49 HG21 ILE 49 -3.137 -0.858 3.398 435 HG22 ILE 49 HG22 ILE 49 -1.793 -1.763 4.091 436 HG23 ILE 49 HG23 ILE 49 -3.253 -1.440 5.058 437 HD11 ILE 49 HD11 ILE 49 -2.534 -1.421 1.261 438 HD12 ILE 49 HD12 ILE 49 -4.253 -1.624 1.581 439 HD13 ILE 49 HD13 ILE 49 -3.496 -2.503 0.261 440 H ALA 50 H ALA 50 -1.369 -2.852 5.887 441 HA ALA 50 HA ALA 50 0.933 -3.406 4.505 442 HB1 ALA 50 HB1 ALA 50 0.334 -2.625 7.302 443 HB2 ALA 50 HB2 ALA 50 1.350 -1.824 6.107 444 HB3 ALA 50 HB3 ALA 50 1.951 -3.215 6.993 445 H TYR 51 H TYR 51 -0.174 -5.145 7.382 446 HA TYR 51 HA TYR 51 1.889 -7.075 7.289 447 HB2 TYR 51 HB2 TYR 51 -0.853 -7.248 8.560 448 HB3 TYR 51 HB3 TYR 51 0.436 -8.422 8.804 449 HD1 TYR 51 HD1 TYR 51 2.852 -7.182 9.234 450 HD2 TYR 51 HD2 TYR 51 -1.025 -5.627 10.268 451 HE1 TYR 51 HE1 TYR 51 3.887 -5.743 10.927 452 HE2 TYR 51 HE2 TYR 51 0.012 -4.180 11.968 453 HH TYR 51 HH TYR 51 3.001 -3.313 12.034 454 H TYR 52 H TYR 52 -1.395 -7.127 6.002 455 HA TYR 52 HA TYR 52 -1.197 -9.738 4.877 456 HB2 TYR 52 HB2 TYR 52 -2.951 -7.370 4.231 457 HB3 TYR 52 HB3 TYR 52 -3.017 -8.860 3.310 458 HD1 TYR 52 HD1 TYR 52 -2.893 -11.062 5.032 459 HD2 TYR 52 HD2 TYR 52 -4.651 -7.231 5.868 460 HE1 TYR 52 HE1 TYR 52 -4.334 -12.092 6.731 461 HE2 TYR 52 HE2 TYR 52 -6.093 -8.266 7.569 462 HH TYR 52 HH TYR 52 -7.006 -10.813 7.802 463 H LEU 53 H LEU 53 -0.453 -6.507 3.725 464 HA LEU 53 HA LEU 53 0.283 -7.240 1.102 465 HB2 LEU 53 HB2 LEU 53 -0.242 -4.910 1.690 466 HB3 LEU 53 HB3 LEU 53 1.144 -4.860 2.770 467 HG LEU 53 HG LEU 53 2.671 -5.250 0.898 468 HD11 LEU 53 HD11 LEU 53 1.469 -4.962 -1.467 469 HD12 LEU 53 HD12 LEU 53 0.136 -5.734 -0.597 470 HD13 LEU 53 HD13 LEU 53 1.681 -6.531 -0.712 471 HD21 LEU 53 HD21 LEU 53 0.822 -2.920 0.941 472 HD22 LEU 53 HD22 LEU 53 1.759 -3.128 -0.540 473 HD23 LEU 53 HD23 LEU 53 2.573 -2.979 1.007 474 H ASN 54 H ASN 54 1.761 -7.781 4.098 475 HA ASN 54 HA ASN 54 3.721 -8.855 4.637 476 HB2 ASN 54 HB2 ASN 54 4.177 -8.898 1.647 477 HB3 ASN 54 HB3 ASN 54 5.319 -9.457 2.807 478 HD21 ASN 54 HD21 ASN 54 3.676 -11.039 0.790 479 HD22 ASN 54 HD22 ASN 54 2.872 -12.225 1.684 480 H THR 55 H THR 55 3.429 -6.076 4.735 481 HA THR 55 HA THR 55 6.204 -5.331 4.639 482 HB THR 55 HB THR 55 4.380 -4.732 2.620 483 HG1 THR 55 HG1 THR 55 6.901 -3.435 2.843 484 HG21 THR 55 HG21 THR 55 3.567 -2.768 3.633 485 HG22 THR 55 HG22 THR 55 4.753 -2.192 2.469 486 HG23 THR 55 HG23 THR 55 5.170 -2.259 4.178 487 HA PRO 56 HA PRO 56 4.322 -3.678 8.417 488 HB2 PRO 56 HB2 PRO 56 6.584 -2.784 9.592 489 HB3 PRO 56 HB3 PRO 56 6.158 -4.509 9.538 490 HG2 PRO 56 HG2 PRO 56 8.052 -2.984 7.813 491 HG3 PRO 56 HG3 PRO 56 8.242 -4.583 8.546 492 HD2 PRO 56 HD2 PRO 56 7.544 -4.341 5.940 493 HD3 PRO 56 HD3 PRO 56 6.936 -5.662 6.946 494 H LEU 57 H LEU 57 3.847 -1.577 9.230 495 HA LEU 57 HA LEU 57 3.542 0.529 7.475 496 HB2 LEU 57 HB2 LEU 57 3.381 0.193 10.366 497 HB3 LEU 57 HB3 LEU 57 3.971 1.777 9.945 498 HG LEU 57 HG LEU 57 1.421 1.455 10.140 499 HD11 LEU 57 HD11 LEU 57 2.297 2.665 7.530 500 HD12 LEU 57 HD12 LEU 57 2.733 3.376 9.084 501 HD13 LEU 57 HD13 LEU 57 1.038 3.195 8.648 502 HD21 LEU 57 HD21 LEU 57 0.248 0.375 8.476 503 HD22 LEU 57 HD22 LEU 57 1.689 -0.635 8.457 504 HD23 LEU 57 HD23 LEU 57 1.481 0.637 7.251 505 H GLU 58 H GLU 58 6.310 -0.028 9.625 506 HA GLU 58 HA GLU 58 7.621 2.368 9.041 507 HB2 GLU 58 HB2 GLU 58 8.781 -0.315 9.862 508 HB3 GLU 58 HB3 GLU 58 9.623 1.226 9.915 509 HG2 GLU 58 HG2 GLU 58 8.837 1.074 12.113 510 HG3 GLU 58 HG3 GLU 58 7.590 2.040 11.340 511 H ASP 59 H ASP 59 7.289 -0.591 7.250 512 HA ASP 59 HA ASP 59 9.594 -0.350 5.581 513 HB2 ASP 59 HB2 ASP 59 8.281 -2.449 5.884 514 HB3 ASP 59 HB3 ASP 59 6.974 -1.723 4.952 515 H ILE 60 H ILE 60 6.341 0.888 5.472 516 HA ILE 60 HA ILE 60 6.929 2.246 2.917 517 HB ILE 60 HB ILE 60 4.557 2.748 2.781 518 HG12 ILE 60 HG12 ILE 60 4.262 1.151 5.358 519 HG13 ILE 60 HG13 ILE 60 4.093 2.908 5.251 520 HG21 ILE 60 HG21 ILE 60 5.729 0.214 2.548 521 HG22 ILE 60 HG22 ILE 60 4.178 0.733 1.872 522 HG23 ILE 60 HG23 ILE 60 4.232 -0.057 3.441 523 HD11 ILE 60 HD11 ILE 60 2.333 2.467 3.442 524 HD12 ILE 60 HD12 ILE 60 1.872 2.071 5.102 525 HD13 ILE 60 HD13 ILE 60 2.369 0.800 3.977 526 H PHE 61 H PHE 61 5.985 2.893 6.262 527 HA PHE 61 HA PHE 61 5.763 5.686 5.964 528 HB2 PHE 61 HB2 PHE 61 4.921 4.428 7.953 529 HB3 PHE 61 HB3 PHE 61 6.587 4.192 8.465 530 HD1 PHE 61 HD1 PHE 61 4.238 6.927 7.420 531 HD2 PHE 61 HD2 PHE 61 7.616 5.804 9.837 532 HE1 PHE 61 HE1 PHE 61 4.247 9.169 8.447 533 HE2 PHE 61 HE2 PHE 61 7.618 8.045 10.862 534 HZ PHE 61 HZ PHE 61 5.948 9.734 10.182 535 H GLN 62 H GLN 62 8.480 3.626 6.944 536 HA GLN 62 HA GLN 62 10.713 4.012 7.149 537 HB2 GLN 62 HB2 GLN 62 10.040 5.604 4.682 538 HB3 GLN 62 HB3 GLN 62 11.693 5.209 5.151 539 HG2 GLN 62 HG2 GLN 62 9.552 3.097 4.772 540 HG3 GLN 62 HG3 GLN 62 10.604 3.624 3.471 541 HE21 GLN 62 HE21 GLN 62 10.448 1.635 6.321 542 HE22 GLN 62 HE22 GLN 62 12.058 1.093 6.256 543 H TRP 63 H TRP 63 12.256 6.326 6.410 544 HA TRP 63 HA TRP 63 11.380 8.188 8.528 545 HB2 TRP 63 HB2 TRP 63 14.195 7.337 7.779 546 HB3 TRP 63 HB3 TRP 63 13.789 8.602 8.940 547 HD1 TRP 63 HD1 TRP 63 13.131 7.904 11.334 548 HE1 TRP 63 HE1 TRP 63 12.756 5.646 12.528 549 HE3 TRP 63 HE3 TRP 63 13.347 4.748 7.323 550 HZ2 TRP 63 HZ2 TRP 63 12.580 2.851 11.848 551 HZ3 TRP 63 HZ3 TRP 63 13.072 2.300 7.632 552 HH2 TRP 63 HH2 TRP 63 12.689 1.362 9.889 553 H GLN 64 H GLN 64 10.731 8.290 5.734 554 HA GLN 64 HA GLN 64 11.529 11.070 5.285 555 HB2 GLN 64 HB2 GLN 64 11.813 8.887 3.210 556 HB3 GLN 64 HB3 GLN 64 11.851 10.593 2.818 557 HG2 GLN 64 HG2 GLN 64 13.730 9.328 4.829 558 HG3 GLN 64 HG3 GLN 64 14.085 9.452 3.114 559 HE21 GLN 64 HE21 GLN 64 12.304 12.207 3.626 560 HE22 GLN 64 HE22 GLN 64 13.544 13.263 4.036 561 HA PRO 65 HA PRO 65 7.118 9.257 4.497 562 HB2 PRO 65 HB2 PRO 65 6.295 11.180 6.589 563 HB3 PRO 65 HB3 PRO 65 5.833 9.487 6.358 564 HG2 PRO 65 HG2 PRO 65 7.458 10.125 8.309 565 HG3 PRO 65 HG3 PRO 65 7.758 8.661 7.354 566 HD2 PRO 65 HD2 PRO 65 9.107 11.332 7.158 567 HD3 PRO 65 HD3 PRO 65 9.808 9.694 7.151 568 H GLU 66 H GLU 66 5.715 10.226 3.108 569 HA GLU 66 HA GLU 66 5.841 13.139 2.735 570 HB2 GLU 66 HB2 GLU 66 5.345 12.610 0.279 571 HB3 GLU 66 HB3 GLU 66 6.974 12.297 0.856 572 HG2 GLU 66 HG2 GLU 66 6.646 9.967 0.981 573 HG3 GLU 66 HG3 GLU 66 4.905 10.085 0.870
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