NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
642732 | 6iha | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 1H LYS 1 -23.449 4.686 2.324 2 H2 LYS 1 2H LYS 1 -24.624 5.855 2.006 3 H3 LYS 1 3H LYS 1 -23.258 6.257 2.914 4 HA LYS 1 HA LYS 1 -23.214 5.393 0.091 5 HB2 LYS 1 1HB LYS 1 -22.692 7.753 -0.431 6 HB3 LYS 1 2HB LYS 1 -24.305 7.544 0.228 7 HG2 LYS 1 1HG LYS 1 -23.456 8.295 2.430 8 HG3 LYS 1 2HG LYS 1 -21.887 8.600 1.678 9 HD2 LYS 1 1HD LYS 1 -22.988 10.158 0.105 10 HD3 LYS 1 2HD LYS 1 -24.513 9.900 0.953 11 HE2 LYS 1 1HE LYS 1 -23.574 11.933 1.765 12 HE3 LYS 1 2HE LYS 1 -23.395 10.724 3.033 13 HZ1 LYS 1 1HZ LYS 1 -21.093 10.431 2.401 14 HZ2 LYS 1 2HZ LYS 1 -21.389 12.061 2.734 15 HZ3 LYS 1 3HZ LYS 1 -21.261 11.534 1.133 16 H ILE 2 H ILE 2 -21.621 4.173 1.993 17 HA ILE 2 HA ILE 2 -18.994 5.314 1.339 18 HB ILE 2 HB ILE 2 -19.858 4.002 3.916 19 HG12 ILE 2 1HG1 ILE 2 -18.643 6.710 3.323 20 HG13 ILE 2 2HG1 ILE 2 -20.329 6.408 3.729 21 HG21 ILE 2 1HG2 ILE 2 -17.711 3.097 3.225 22 HG22 ILE 2 2HG2 ILE 2 -17.539 4.128 4.646 23 HG23 ILE 2 3HG2 ILE 2 -17.062 4.728 3.056 24 HD11 ILE 2 1HD1 ILE 2 -19.624 5.584 5.930 25 HD12 ILE 2 2HD1 ILE 2 -19.143 7.255 5.646 26 HD13 ILE 2 3HD1 ILE 2 -17.953 5.961 5.518 27 H ASN 3 H ASN 3 -17.748 4.010 0.206 28 HA ASN 3 HA ASN 3 -18.558 1.319 -0.390 29 HB2 ASN 3 1HB ASN 3 -17.571 2.646 -2.144 30 HB3 ASN 3 2HB ASN 3 -16.135 2.946 -1.179 31 HD21 ASN 3 1HD2 ASN 3 -14.826 2.136 -2.803 32 HD22 ASN 3 2HD2 ASN 3 -14.703 0.442 -3.133 33 H LYS 4 H LYS 4 -18.058 -0.393 0.759 34 HA LYS 4 HA LYS 4 -16.155 -0.116 2.941 35 HB2 LYS 4 1HB LYS 4 -18.329 -2.137 2.376 36 HB3 LYS 4 2HB LYS 4 -17.199 -2.288 3.716 37 HG2 LYS 4 1HG LYS 4 -19.150 -0.033 3.287 38 HG3 LYS 4 2HG LYS 4 -19.301 -1.340 4.465 39 HD2 LYS 4 1HD LYS 4 -17.183 -0.589 5.501 40 HD3 LYS 4 2HD LYS 4 -17.147 0.766 4.374 41 HE2 LYS 4 1HE LYS 4 -19.222 1.617 5.290 42 HE3 LYS 4 2HE LYS 4 -19.337 0.229 6.372 43 HZ1 LYS 4 1HZ LYS 4 -17.336 0.937 7.483 44 HZ2 LYS 4 2HZ LYS 4 -18.450 2.208 7.481 45 HZ3 LYS 4 3HZ LYS 4 -17.144 2.231 6.412 46 H GLN 5 H GLN 5 -16.444 -1.566 -0.123 47 HA GLN 5 HA GLN 5 -14.560 -3.665 0.214 48 HB2 GLN 5 1HB GLN 5 -16.138 -3.356 -1.743 49 HB3 GLN 5 2HB GLN 5 -15.078 -2.063 -2.287 50 HG2 GLN 5 1HG GLN 5 -14.515 -3.998 -3.517 51 HG3 GLN 5 2HG GLN 5 -13.223 -3.707 -2.357 52 HE21 GLN 5 1HE2 GLN 5 -13.982 -6.157 -3.726 53 HE22 GLN 5 2HE2 GLN 5 -14.303 -7.321 -2.487 54 H LYS 6 H LYS 6 -14.407 -0.280 -0.566 55 HA LYS 6 HA LYS 6 -11.803 0.195 -1.259 56 HB2 LYS 6 1HB LYS 6 -13.373 1.947 -1.230 57 HB3 LYS 6 2HB LYS 6 -13.734 1.716 0.461 58 HG2 LYS 6 1HG LYS 6 -11.686 2.645 1.126 59 HG3 LYS 6 2HG LYS 6 -11.044 2.606 -0.514 60 HD2 LYS 6 1HD LYS 6 -12.671 4.247 -1.218 61 HD3 LYS 6 2HD LYS 6 -13.404 4.253 0.386 62 HE2 LYS 6 1HE LYS 6 -11.946 6.186 0.076 63 HE3 LYS 6 2HE LYS 6 -11.332 5.119 1.337 64 HZ1 LYS 6 1HZ LYS 6 -9.589 5.910 -0.162 65 HZ2 LYS 6 2HZ LYS 6 -10.361 5.162 -1.464 66 HZ3 LYS 6 3HZ LYS 6 -9.737 4.227 -0.204 67 H ILE 7 H ILE 7 -13.148 -0.229 1.943 68 HA ILE 7 HA ILE 7 -10.894 0.533 3.366 69 HB ILE 7 HB ILE 7 -13.216 -1.180 4.160 70 HG12 ILE 7 1HG1 ILE 7 -13.146 1.178 5.599 71 HG13 ILE 7 2HG1 ILE 7 -12.525 1.648 4.019 72 HG21 ILE 7 1HG2 ILE 7 -11.053 -1.648 5.455 73 HG22 ILE 7 2HG2 ILE 7 -12.474 -1.198 6.393 74 HG23 ILE 7 3HG2 ILE 7 -11.213 -0.007 6.076 75 HD11 ILE 7 1HD1 ILE 7 -14.439 0.765 2.946 76 HD12 ILE 7 2HD1 ILE 7 -14.907 1.960 4.159 77 HD13 ILE 7 3HD1 ILE 7 -15.109 0.235 4.491 78 H LYS 8 H LYS 8 -11.695 -2.598 1.923 79 HA LYS 8 HA LYS 8 -9.370 -3.824 3.157 80 HB2 LYS 8 1HB LYS 8 -10.821 -4.880 0.752 81 HB3 LYS 8 2HB LYS 8 -9.748 -5.757 1.819 82 HG2 LYS 8 1HG LYS 8 -11.729 -6.537 2.573 83 HG3 LYS 8 2HG LYS 8 -11.574 -5.117 3.610 84 HD2 LYS 8 1HD LYS 8 -13.107 -3.891 2.370 85 HD3 LYS 8 2HD LYS 8 -12.936 -4.935 0.953 86 HE2 LYS 8 1HE LYS 8 -14.037 -6.754 2.191 87 HE3 LYS 8 2HE LYS 8 -14.207 -5.694 3.589 88 HZ1 LYS 8 1HZ LYS 8 -15.457 -5.280 0.928 89 HZ2 LYS 8 2HZ LYS 8 -15.602 -4.237 2.254 90 HZ3 LYS 8 3HZ LYS 8 -16.248 -5.796 2.333 91 H ASN 9 H ASN 9 -10.241 -2.283 0.150 92 HA ASN 9 HA ASN 9 -8.079 -3.072 -1.374 93 HB2 ASN 9 1HB ASN 9 -9.772 -0.598 -1.422 94 HB3 ASN 9 2HB ASN 9 -8.372 -0.715 -2.474 95 HD21 ASN 9 1HD2 ASN 9 -11.483 -2.060 -1.707 96 HD22 ASN 9 2HD2 ASN 9 -11.743 -2.825 -3.230 97 H GLY 10 H GLY 10 -8.431 -0.110 0.548 98 HA2 GLY 10 1HA GLY 10 -5.753 0.753 0.182 99 HA3 GLY 10 2HA GLY 10 -6.872 1.344 1.404 100 H ALA 11 H ALA 11 -7.233 -1.414 2.468 101 HA ALA 11 HA ALA 11 -5.005 -1.367 4.288 102 HB1 ALA 11 1HB ALA 11 -7.377 -1.888 4.939 103 HB2 ALA 11 2HB ALA 11 -6.169 -3.041 5.512 104 HB3 ALA 11 3HB ALA 11 -7.180 -3.443 4.124 105 H LYS 12 H LYS 12 -5.960 -3.143 1.469 106 HA LYS 12 HA LYS 12 -4.102 -5.298 1.900 107 HB2 LYS 12 1HB LYS 12 -6.022 -6.017 0.843 108 HB3 LYS 12 2HB LYS 12 -6.109 -4.597 -0.189 109 HG2 LYS 12 1HG LYS 12 -3.822 -6.463 -0.543 110 HG3 LYS 12 2HG LYS 12 -5.419 -6.950 -1.128 111 HD2 LYS 12 1HD LYS 12 -5.536 -4.694 -2.228 112 HD3 LYS 12 2HD LYS 12 -3.829 -4.519 -1.875 113 HE2 LYS 12 1HE LYS 12 -3.289 -6.453 -3.200 114 HE3 LYS 12 2HE LYS 12 -4.996 -6.817 -3.441 115 HZ1 LYS 12 1HZ LYS 12 -5.226 -4.772 -4.698 116 HZ2 LYS 12 2HZ LYS 12 -4.025 -5.749 -5.380 117 HZ3 LYS 12 3HZ LYS 12 -3.595 -4.405 -4.452 118 H LYS 13 H LYS 13 -4.297 -2.410 -0.093 119 HA LYS 13 HA LYS 13 -1.719 -2.925 -1.264 120 HB2 LYS 13 1HB LYS 13 -2.001 -0.815 -2.389 121 HB3 LYS 13 2HB LYS 13 -3.495 -1.743 -2.532 122 HG2 LYS 13 1HG LYS 13 -4.625 -0.067 -1.629 123 HG3 LYS 13 2HG LYS 13 -3.673 -0.224 -0.165 124 HD2 LYS 13 1HD LYS 13 -1.974 1.269 -1.127 125 HD3 LYS 13 2HD LYS 13 -2.990 1.476 -2.558 126 HE2 LYS 13 1HE LYS 13 -4.719 2.493 -1.276 127 HE3 LYS 13 2HE LYS 13 -3.920 2.074 0.241 128 HZ1 LYS 13 1HZ LYS 13 -3.634 4.421 -0.390 129 HZ2 LYS 13 2HZ LYS 13 -2.827 3.946 -1.795 130 HZ3 LYS 13 3HZ LYS 13 -2.155 3.610 -0.281 131 H ALA 14 H ALA 14 -2.892 -1.630 1.644 132 HA ALA 14 HA ALA 14 -0.822 0.247 2.136 133 HB1 ALA 14 1HB ALA 14 -2.261 -1.507 4.142 134 HB2 ALA 14 2HB ALA 14 -2.817 0.071 3.585 135 HB3 ALA 14 3HB ALA 14 -1.323 -0.059 4.512 136 H LEU 15 H LEU 15 -1.050 -3.158 2.115 137 HA LEU 15 HA LEU 15 1.643 -3.565 3.142 138 HB2 LEU 15 1HB LEU 15 -0.196 -5.612 1.930 139 HB3 LEU 15 2HB LEU 15 1.085 -5.855 3.097 140 HG LEU 15 HG LEU 15 -1.379 -4.275 3.739 141 HD11 LEU 15 1HD1 LEU 15 -2.134 -6.469 3.108 142 HD12 LEU 15 2HD1 LEU 15 -2.199 -6.329 4.868 143 HD13 LEU 15 3HD1 LEU 15 -0.889 -7.229 4.101 144 HD21 LEU 15 1HD2 LEU 15 0.529 -3.917 5.205 145 HD22 LEU 15 2HD2 LEU 15 0.684 -5.654 5.460 146 HD23 LEU 15 3HD2 LEU 15 -0.740 -4.799 6.052 147 H GLY 16 H GLY 16 -0.223 -3.561 0.199 148 HA2 GLY 16 1HA GLY 16 1.716 -4.747 -1.509 149 HA3 GLY 16 2HA GLY 16 0.314 -3.793 -2.008 150 H VAL 17 H VAL 17 0.706 -1.448 -0.857 151 HA VAL 17 HA VAL 17 2.685 -0.319 -2.624 152 HB VAL 17 HB VAL 17 0.362 0.595 -1.920 153 HG11 VAL 17 1HG1 VAL 17 0.455 0.817 0.365 154 HG12 VAL 17 2HG1 VAL 17 0.665 2.473 -0.217 155 HG13 VAL 17 3HG1 VAL 17 2.064 1.546 0.332 156 HG21 VAL 17 1HG2 VAL 17 1.810 1.676 -3.539 157 HG22 VAL 17 2HG2 VAL 17 2.745 2.410 -2.236 158 HG23 VAL 17 3HG2 VAL 17 1.065 2.881 -2.490 159 H ALA 18 H ALA 18 2.463 -1.085 0.723 160 HA ALA 18 HA ALA 18 4.669 0.379 1.677 161 HB1 ALA 18 1HB ALA 18 3.814 -2.377 2.562 162 HB2 ALA 18 2HB ALA 18 3.133 -0.863 3.153 163 HB3 ALA 18 3HB ALA 18 4.825 -1.251 3.469 164 H SER 19 H SER 19 4.443 -2.390 -0.356 165 HA SER 19 HA SER 19 7.274 -3.027 -0.109 166 HB2 SER 19 1HB SER 19 5.134 -4.269 -1.849 167 HB3 SER 19 2HB SER 19 6.747 -4.920 -1.555 168 HG SER 19 HG SER 19 4.540 -4.764 0.197 169 H LYS 20 H LYS 20 5.608 -0.702 -1.445 170 HA LYS 20 HA LYS 20 7.125 -0.657 -3.937 171 HB2 LYS 20 1HB LYS 20 4.395 0.241 -3.237 172 HB3 LYS 20 2HB LYS 20 5.294 1.248 -4.355 173 HG2 LYS 20 1HG LYS 20 3.832 -0.389 -5.472 174 HG3 LYS 20 2HG LYS 20 5.530 -0.567 -5.903 175 HD2 LYS 20 1HD LYS 20 5.753 -2.455 -4.417 176 HD3 LYS 20 2HD LYS 20 4.104 -2.237 -3.829 177 HE2 LYS 20 1HE LYS 20 3.229 -2.736 -6.037 178 HE3 LYS 20 2HE LYS 20 4.865 -2.875 -6.677 179 HZ1 LYS 20 1HZ LYS 20 3.818 -5.030 -6.180 180 HZ2 LYS 20 2HZ LYS 20 3.752 -4.611 -4.545 181 HZ3 LYS 20 3HZ LYS 20 5.247 -4.786 -5.313 182 H VAL 21 H VAL 21 7.501 0.219 -1.001 183 HA VAL 21 HA VAL 21 8.572 2.872 -1.548 184 HB VAL 21 HB VAL 21 7.569 3.894 0.361 185 HG11 VAL 21 1HG1 VAL 21 5.408 2.381 -1.066 186 HG12 VAL 21 2HG1 VAL 21 6.186 3.853 -1.657 187 HG13 VAL 21 3HG1 VAL 21 5.214 3.898 -0.185 188 HG21 VAL 21 1HG2 VAL 21 6.594 1.146 1.040 189 HG22 VAL 21 2HG2 VAL 21 5.800 2.588 1.685 190 HG23 VAL 21 3HG2 VAL 21 7.501 2.286 2.040 191 H ALA 22 H ALA 22 8.307 0.091 0.596 192 HA ALA 22 HA ALA 22 10.382 0.816 2.358 193 HB1 ALA 22 1HB ALA 22 8.968 -1.708 1.679 194 HB2 ALA 22 2HB ALA 22 9.005 -0.815 3.201 195 HB3 ALA 22 3HB ALA 22 10.404 -1.770 2.703 196 HA PRO 23 HA PRO 23 13.258 -1.903 -0.354 197 HB2 PRO 23 1HB PRO 23 12.097 -1.989 -3.029 198 HB3 PRO 23 2HB PRO 23 12.639 -3.323 -2.008 199 HG2 PRO 23 1HG PRO 23 10.031 -2.867 -2.562 200 HG3 PRO 23 2HG PRO 23 10.577 -3.589 -1.037 201 HD2 PRO 23 1HD PRO 23 9.753 -0.773 -1.621 202 HD3 PRO 23 2HD PRO 23 9.381 -1.781 -0.212 203 H VAL 24 H VAL 24 11.446 0.754 -1.667 204 HA VAL 24 HA VAL 24 13.589 1.655 -3.354 205 HB VAL 24 HB VAL 24 12.267 3.463 -4.021 206 HG11 VAL 24 1HG1 VAL 24 10.557 1.092 -3.430 207 HG12 VAL 24 2HG1 VAL 24 11.425 1.461 -4.918 208 HG13 VAL 24 3HG1 VAL 24 10.028 2.430 -4.446 209 HG21 VAL 24 1HG2 VAL 24 10.568 3.052 -1.575 210 HG22 VAL 24 2HG2 VAL 24 10.182 4.154 -2.895 211 HG23 VAL 24 3HG2 VAL 24 11.625 4.421 -1.916 212 H VAL 25 H VAL 25 12.271 2.617 -0.200 213 HA VAL 25 HA VAL 25 14.111 4.744 0.219 214 HB VAL 25 HB VAL 25 12.532 3.101 2.201 215 HG11 VAL 25 1HG1 VAL 25 14.548 4.261 3.163 216 HG12 VAL 25 2HG1 VAL 25 13.008 4.781 3.844 217 HG13 VAL 25 3HG1 VAL 25 13.834 5.792 2.658 218 HG21 VAL 25 1HG2 VAL 25 11.615 4.770 0.297 219 HG22 VAL 25 2HG2 VAL 25 11.856 5.912 1.623 220 HG23 VAL 25 3HG2 VAL 25 10.803 4.511 1.842 221 H ALA 26 H ALA 26 14.210 1.365 0.614 222 HA ALA 26 HA ALA 26 16.563 1.231 2.176 223 HB1 ALA 26 1HB ALA 26 14.760 -0.484 1.586 224 HB2 ALA 26 2HB ALA 26 16.423 -1.034 1.822 225 HB3 ALA 26 3HB ALA 26 15.773 -0.842 0.188 226 H ALA 27 H ALA 27 15.972 2.286 -0.945 227 HA ALA 27 HA ALA 27 18.784 1.918 -1.735 228 HB1 ALA 27 1HB ALA 27 16.367 2.715 -3.374 229 HB2 ALA 27 2HB ALA 27 17.193 1.151 -3.401 230 HB3 ALA 27 3HB ALA 27 18.019 2.593 -3.991 231 H PHE 28 H PHE 28 16.317 4.235 -0.938 232 HA PHE 28 HA PHE 28 17.795 6.545 -1.765 233 HB2 PHE 28 1HB PHE 28 15.249 6.072 -0.284 234 HB3 PHE 28 2HB PHE 28 15.957 7.674 -0.276 235 HD1 PHE 28 HD1 PHE 28 14.154 5.193 -2.064 236 HD2 PHE 28 HD2 PHE 28 16.209 8.880 -2.469 237 HE1 PHE 28 HE1 PHE 28 13.073 5.541 -4.197 238 HE2 PHE 28 HE2 PHE 28 15.113 9.257 -4.646 239 HZ PHE 28 HZ PHE 28 13.532 7.580 -5.521 240 H ALA 29 H ALA 29 17.256 4.767 1.168 241 HA ALA 29 HA ALA 29 18.679 6.670 2.809 242 HB1 ALA 29 1HB ALA 29 17.176 4.141 3.267 243 HB2 ALA 29 2HB ALA 29 16.950 5.735 3.999 244 HB3 ALA 29 3HB ALA 29 18.299 4.713 4.505 245 H ARG 30 H ARG 30 19.125 3.180 1.984 246 HA ARG 30 HA ARG 30 22.005 3.692 2.178 247 HB2 ARG 30 1HB ARG 30 22.327 1.512 3.314 248 HB3 ARG 30 2HB ARG 30 21.459 2.683 4.288 249 HG2 ARG 30 1HG ARG 30 20.029 0.587 2.693 250 HG3 ARG 30 2HG ARG 30 20.660 0.259 4.304 251 HD2 ARG 30 1HD ARG 30 19.252 1.921 5.274 252 HD3 ARG 30 2HD ARG 30 18.771 2.522 3.688 253 HE ARG 30 HE ARG 30 18.027 -0.084 3.658 254 HH11 ARG 30 1HH1 ARG 30 17.327 2.641 5.735 255 HH12 ARG 30 2HH1 ARG 30 15.786 2.025 6.235 256 HH21 ARG 30 1HH2 ARG 30 16.004 -0.910 4.323 257 HH22 ARG 30 2HH2 ARG 30 15.034 0.000 5.440 Start of MODEL 2 1 H1 LYS 1 1H LYS 1 -23.517 7.171 0.385 2 H2 LYS 1 2H LYS 1 -24.959 6.311 0.200 3 H3 LYS 1 3H LYS 1 -23.934 6.540 -1.124 4 HA LYS 1 HA LYS 1 -23.276 4.984 1.299 5 HB2 LYS 1 1HB LYS 1 -24.982 3.910 -0.150 6 HB3 LYS 1 2HB LYS 1 -23.885 4.050 -1.515 7 HG2 LYS 1 1HG LYS 1 -22.287 2.587 -0.389 8 HG3 LYS 1 2HG LYS 1 -23.387 2.444 0.984 9 HD2 LYS 1 1HD LYS 1 -23.627 0.501 -0.414 10 HD3 LYS 1 2HD LYS 1 -25.088 1.481 -0.544 11 HE2 LYS 1 1HE LYS 1 -24.259 2.422 -2.652 12 HE3 LYS 1 2HE LYS 1 -22.807 1.430 -2.522 13 HZ1 LYS 1 1HZ LYS 1 -25.592 0.438 -2.801 14 HZ2 LYS 1 2HZ LYS 1 -24.231 -0.543 -2.599 15 HZ3 LYS 1 3HZ LYS 1 -24.391 0.400 -3.991 16 H ILE 2 H ILE 2 -21.159 5.143 1.653 17 HA ILE 2 HA ILE 2 -19.304 5.813 -0.420 18 HB ILE 2 HB ILE 2 -19.172 6.435 2.081 19 HG12 ILE 2 1HG1 ILE 2 -16.733 5.273 0.731 20 HG13 ILE 2 2HG1 ILE 2 -17.433 6.850 0.395 21 HG21 ILE 2 1HG2 ILE 2 -17.963 3.678 2.210 22 HG22 ILE 2 2HG2 ILE 2 -19.470 4.180 2.974 23 HG23 ILE 2 3HG2 ILE 2 -17.939 4.882 3.498 24 HD11 ILE 2 1HD1 ILE 2 -16.271 5.976 3.026 25 HD12 ILE 2 2HD1 ILE 2 -16.953 7.563 2.670 26 HD13 ILE 2 3HD1 ILE 2 -15.491 7.026 1.845 27 H ASN 3 H ASN 3 -17.636 4.459 -1.205 28 HA ASN 3 HA ASN 3 -18.417 1.758 -1.642 29 HB2 ASN 3 1HB ASN 3 -17.206 2.984 -3.357 30 HB3 ASN 3 2HB ASN 3 -15.835 3.200 -2.275 31 HD21 ASN 3 1HD2 ASN 3 -14.453 2.198 -3.736 32 HD22 ASN 3 2HD2 ASN 3 -14.468 0.487 -4.000 33 H LYS 4 H LYS 4 -18.001 0.034 -0.455 34 HA LYS 4 HA LYS 4 -16.331 0.374 1.908 35 HB2 LYS 4 1HB LYS 4 -18.228 -1.855 1.136 36 HB3 LYS 4 2HB LYS 4 -17.343 -1.763 2.651 37 HG2 LYS 4 1HG LYS 4 -19.429 0.186 1.695 38 HG3 LYS 4 2HG LYS 4 -19.640 -1.048 2.938 39 HD2 LYS 4 1HD LYS 4 -17.862 0.052 4.269 40 HD3 LYS 4 2HD LYS 4 -17.781 1.324 3.050 41 HE2 LYS 4 1HE LYS 4 -20.098 1.918 3.476 42 HE3 LYS 4 2HE LYS 4 -20.240 0.602 4.640 43 HZ1 LYS 4 1HZ LYS 4 -18.627 1.679 6.040 44 HZ2 LYS 4 2HZ LYS 4 -19.879 2.760 5.700 45 HZ3 LYS 4 3HZ LYS 4 -18.394 2.911 4.907 46 H GLN 5 H GLN 5 -16.381 -1.274 -1.136 47 HA GLN 5 HA GLN 5 -14.416 -3.210 -0.612 48 HB2 GLN 5 1HB GLN 5 -15.783 -3.142 -2.684 49 HB3 GLN 5 2HB GLN 5 -14.896 -1.711 -3.190 50 HG2 GLN 5 1HG GLN 5 -14.087 -3.740 -4.291 51 HG3 GLN 5 2HG GLN 5 -12.847 -2.965 -3.307 52 HE21 GLN 5 1HE2 GLN 5 -11.653 -4.860 -3.115 53 HE22 GLN 5 2HE2 GLN 5 -12.167 -6.176 -2.116 54 H LYS 6 H LYS 6 -14.283 0.184 -1.381 55 HA LYS 6 HA LYS 6 -11.578 0.613 -1.813 56 HB2 LYS 6 1HB LYS 6 -12.901 2.452 -2.181 57 HB3 LYS 6 2HB LYS 6 -13.790 2.240 -0.681 58 HG2 LYS 6 1HG LYS 6 -11.966 3.063 0.599 59 HG3 LYS 6 2HG LYS 6 -10.910 3.077 -0.808 60 HD2 LYS 6 1HD LYS 6 -12.356 4.741 -1.848 61 HD3 LYS 6 2HD LYS 6 -13.368 4.765 -0.404 62 HE2 LYS 6 1HE LYS 6 -11.450 5.501 0.926 63 HE3 LYS 6 2HE LYS 6 -10.440 5.486 -0.519 64 HZ1 LYS 6 1HZ LYS 6 -12.829 7.201 -0.126 65 HZ2 LYS 6 2HZ LYS 6 -11.812 7.208 -1.474 66 HZ3 LYS 6 3HZ LYS 6 -11.226 7.712 0.026 67 H ILE 7 H ILE 7 -13.312 0.206 1.231 68 HA ILE 7 HA ILE 7 -11.269 0.896 2.982 69 HB ILE 7 HB ILE 7 -13.557 -1.010 3.280 70 HG12 ILE 7 1HG1 ILE 7 -13.760 0.932 5.167 71 HG13 ILE 7 2HG1 ILE 7 -12.896 1.789 3.911 72 HG21 ILE 7 1HG2 ILE 7 -11.444 -1.666 4.618 73 HG22 ILE 7 2HG2 ILE 7 -12.980 -1.541 5.472 74 HG23 ILE 7 3HG2 ILE 7 -11.800 -0.234 5.583 75 HD11 ILE 7 1HD1 ILE 7 -14.626 1.234 2.322 76 HD12 ILE 7 2HD1 ILE 7 -15.250 2.155 3.693 77 HD13 ILE 7 3HD1 ILE 7 -15.530 0.414 3.598 78 H LYS 8 H LYS 8 -11.750 -2.069 1.145 79 HA LYS 8 HA LYS 8 -9.503 -3.341 2.490 80 HB2 LYS 8 1HB LYS 8 -10.873 -4.385 0.031 81 HB3 LYS 8 2HB LYS 8 -9.884 -5.278 1.165 82 HG2 LYS 8 1HG LYS 8 -12.046 -5.972 1.639 83 HG3 LYS 8 2HG LYS 8 -11.713 -4.763 2.882 84 HD2 LYS 8 1HD LYS 8 -13.110 -3.209 1.935 85 HD3 LYS 8 2HD LYS 8 -12.958 -3.910 0.319 86 HE2 LYS 8 1HE LYS 8 -14.419 -5.192 2.630 87 HE3 LYS 8 2HE LYS 8 -15.199 -4.229 1.380 88 HZ1 LYS 8 1HZ LYS 8 -13.674 -6.735 0.915 89 HZ2 LYS 8 2HZ LYS 8 -14.470 -5.824 -0.268 90 HZ3 LYS 8 3HZ LYS 8 -15.357 -6.604 0.940 91 H ASN 9 H ASN 9 -10.017 -1.231 -0.091 92 HA ASN 9 HA ASN 9 -7.991 -2.105 -1.832 93 HB2 ASN 9 1HB ASN 9 -9.177 0.628 -1.356 94 HB3 ASN 9 2HB ASN 9 -7.847 0.399 -2.473 95 HD21 ASN 9 1HD2 ASN 9 -10.504 -1.859 -2.011 96 HD22 ASN 9 2HD2 ASN 9 -11.218 -1.596 -3.563 97 H GLY 10 H GLY 10 -7.901 0.648 0.414 98 HA2 GLY 10 1HA GLY 10 -5.107 0.897 0.480 99 HA3 GLY 10 2HA GLY 10 -6.215 1.510 1.701 100 H ALA 11 H ALA 11 -7.315 -1.068 2.370 101 HA ALA 11 HA ALA 11 -5.478 -1.865 4.354 102 HB1 ALA 11 1HB ALA 11 -8.047 -2.104 4.297 103 HB2 ALA 11 2HB ALA 11 -7.092 -3.380 5.060 104 HB3 ALA 11 3HB ALA 11 -7.728 -3.612 3.432 105 H LYS 12 H LYS 12 -6.026 -2.923 1.095 106 HA LYS 12 HA LYS 12 -4.536 -5.375 1.472 107 HB2 LYS 12 1HB LYS 12 -6.246 -5.838 0.051 108 HB3 LYS 12 2HB LYS 12 -6.222 -4.239 -0.668 109 HG2 LYS 12 1HG LYS 12 -3.942 -6.066 -1.208 110 HG3 LYS 12 2HG LYS 12 -5.488 -6.361 -2.017 111 HD2 LYS 12 1HD LYS 12 -5.458 -3.912 -2.617 112 HD3 LYS 12 2HD LYS 12 -3.780 -3.893 -2.115 113 HE2 LYS 12 1HE LYS 12 -3.273 -5.669 -3.742 114 HE3 LYS 12 2HE LYS 12 -4.954 -5.638 -4.276 115 HZ1 LYS 12 1HZ LYS 12 -3.054 -3.364 -4.448 116 HZ2 LYS 12 2HZ LYS 12 -4.656 -3.354 -4.981 117 HZ3 LYS 12 3HZ LYS 12 -3.521 -4.351 -5.737 118 H LYS 13 H LYS 13 -4.146 -2.280 -0.164 119 HA LYS 13 HA LYS 13 -1.531 -3.072 -1.101 120 HB2 LYS 13 1HB LYS 13 -1.439 -0.837 -2.105 121 HB3 LYS 13 2HB LYS 13 -2.891 -1.714 -2.574 122 HG2 LYS 13 1HG LYS 13 -4.278 -0.362 -1.377 123 HG3 LYS 13 2HG LYS 13 -3.028 0.065 -0.209 124 HD2 LYS 13 1HD LYS 13 -1.957 1.499 -1.829 125 HD3 LYS 13 2HD LYS 13 -3.134 1.023 -3.064 126 HE2 LYS 13 1HE LYS 13 -4.909 2.052 -1.900 127 HE3 LYS 13 2HE LYS 13 -3.931 2.247 -0.445 128 HZ1 LYS 13 1HZ LYS 13 -3.429 3.633 -3.031 129 HZ2 LYS 13 2HZ LYS 13 -2.591 3.879 -1.583 130 HZ3 LYS 13 3HZ LYS 13 -4.218 4.324 -1.703 131 H ALA 14 H ALA 14 -2.703 -1.914 1.814 132 HA ALA 14 HA ALA 14 -0.507 -0.211 2.467 133 HB1 ALA 14 1HB ALA 14 -2.210 -1.918 4.292 134 HB2 ALA 14 2HB ALA 14 -2.576 -0.256 3.821 135 HB3 ALA 14 3HB ALA 14 -1.154 -0.602 4.810 136 H LEU 15 H LEU 15 -0.964 -3.489 2.026 137 HA LEU 15 HA LEU 15 1.608 -4.217 3.201 138 HB2 LEU 15 1HB LEU 15 -0.183 -6.091 1.707 139 HB3 LEU 15 2HB LEU 15 0.858 -6.414 3.081 140 HG LEU 15 HG LEU 15 -1.568 -4.682 3.353 141 HD11 LEU 15 1HD1 LEU 15 -2.461 -6.693 2.464 142 HD12 LEU 15 2HD1 LEU 15 -2.721 -6.743 4.210 143 HD13 LEU 15 3HD1 LEU 15 -1.420 -7.686 3.485 144 HD21 LEU 15 1HD2 LEU 15 0.076 -4.623 5.155 145 HD22 LEU 15 2HD2 LEU 15 -0.022 -6.376 5.314 146 HD23 LEU 15 3HD2 LEU 15 -1.425 -5.378 5.692 147 H GLY 16 H GLY 16 -0.051 -3.681 0.213 148 HA2 GLY 16 1HA GLY 16 1.949 -4.913 -1.460 149 HA3 GLY 16 2HA GLY 16 0.528 -4.014 -1.990 150 H VAL 17 H VAL 17 0.754 -1.636 -0.929 151 HA VAL 17 HA VAL 17 2.792 -0.495 -2.593 152 HB VAL 17 HB VAL 17 0.395 0.354 -2.069 153 HG11 VAL 17 1HG1 VAL 17 0.375 0.733 0.201 154 HG12 VAL 17 2HG1 VAL 17 0.525 2.347 -0.503 155 HG13 VAL 17 3HG1 VAL 17 1.945 1.544 0.172 156 HG21 VAL 17 1HG2 VAL 17 2.734 2.145 -2.454 157 HG22 VAL 17 2HG2 VAL 17 1.071 2.644 -2.708 158 HG23 VAL 17 3HG2 VAL 17 1.779 1.375 -3.710 159 H ALA 18 H ALA 18 2.391 -1.169 0.755 160 HA ALA 18 HA ALA 18 4.513 0.411 1.756 161 HB1 ALA 18 1HB ALA 18 3.575 -2.293 2.706 162 HB2 ALA 18 2HB ALA 18 2.960 -0.729 3.244 163 HB3 ALA 18 3HB ALA 18 4.622 -1.195 3.606 164 H SER 19 H SER 19 4.433 -2.407 -0.197 165 HA SER 19 HA SER 19 7.253 -3.009 0.225 166 HB2 SER 19 1HB SER 19 5.214 -4.338 -1.568 167 HB3 SER 19 2HB SER 19 6.822 -4.956 -1.186 168 HG SER 19 HG SER 19 4.492 -5.050 0.294 169 H LYS 20 H LYS 20 5.612 -0.757 -1.277 170 HA LYS 20 HA LYS 20 7.276 -0.760 -3.677 171 HB2 LYS 20 1HB LYS 20 4.507 0.155 -3.145 172 HB3 LYS 20 2HB LYS 20 5.465 1.125 -4.248 173 HG2 LYS 20 1HG LYS 20 4.030 -0.564 -5.362 174 HG3 LYS 20 2HG LYS 20 5.742 -0.711 -5.745 175 HD2 LYS 20 1HD LYS 20 5.965 -2.570 -4.217 176 HD3 LYS 20 2HD LYS 20 4.293 -2.383 -3.687 177 HE2 LYS 20 1HE LYS 20 3.509 -2.925 -5.930 178 HE3 LYS 20 2HE LYS 20 5.172 -3.056 -6.495 179 HZ1 LYS 20 1HZ LYS 20 4.176 -5.219 -6.026 180 HZ2 LYS 20 2HZ LYS 20 3.944 -4.776 -4.413 181 HZ3 LYS 20 3HZ LYS 20 5.508 -4.923 -5.031 182 H VAL 21 H VAL 21 7.386 0.225 -0.715 183 HA VAL 21 HA VAL 21 8.487 2.862 -1.326 184 HB VAL 21 HB VAL 21 7.482 3.866 0.603 185 HG11 VAL 21 1HG1 VAL 21 5.401 2.355 -0.939 186 HG12 VAL 21 2HG1 VAL 21 6.142 3.887 -1.414 187 HG13 VAL 21 3HG1 VAL 21 5.115 3.812 0.018 188 HG21 VAL 21 1HG2 VAL 21 6.504 1.104 1.228 189 HG22 VAL 21 2HG2 VAL 21 5.700 2.535 1.882 190 HG23 VAL 21 3HG2 VAL 21 7.396 2.228 2.259 191 H ALA 22 H ALA 22 8.290 0.117 0.874 192 HA ALA 22 HA ALA 22 10.420 0.875 2.558 193 HB1 ALA 22 1HB ALA 22 8.964 -1.641 1.963 194 HB2 ALA 22 2HB ALA 22 9.122 -0.767 3.489 195 HB3 ALA 22 3HB ALA 22 10.467 -1.736 2.883 196 HA PRO 23 HA PRO 23 13.225 -1.831 -0.263 197 HB2 PRO 23 1HB PRO 23 11.923 -1.920 -2.877 198 HB3 PRO 23 2HB PRO 23 12.561 -3.246 -1.904 199 HG2 PRO 23 1HG PRO 23 9.919 -2.875 -2.295 200 HG3 PRO 23 2HG PRO 23 10.573 -3.571 -0.801 201 HD2 PRO 23 1HD PRO 23 9.638 -0.782 -1.352 202 HD3 PRO 23 2HD PRO 23 9.367 -1.792 0.078 203 H VAL 24 H VAL 24 11.310 0.790 -1.512 204 HA VAL 24 HA VAL 24 13.371 1.697 -3.290 205 HB VAL 24 HB VAL 24 12.019 3.506 -3.902 206 HG11 VAL 24 1HG1 VAL 24 10.365 1.093 -3.303 207 HG12 VAL 24 2HG1 VAL 24 11.202 1.491 -4.803 208 HG13 VAL 24 3HG1 VAL 24 9.794 2.430 -4.300 209 HG21 VAL 24 1HG2 VAL 24 10.411 3.046 -1.406 210 HG22 VAL 24 2HG2 VAL 24 9.937 4.132 -2.711 211 HG23 VAL 24 3HG2 VAL 24 11.409 4.448 -1.792 212 H VAL 25 H VAL 25 12.182 2.681 -0.088 213 HA VAL 25 HA VAL 25 14.042 4.801 0.253 214 HB VAL 25 HB VAL 25 12.595 3.123 2.310 215 HG11 VAL 25 1HG1 VAL 25 14.659 4.288 3.163 216 HG12 VAL 25 2HG1 VAL 25 13.157 4.778 3.945 217 HG13 VAL 25 3HG1 VAL 25 13.897 5.817 2.727 218 HG21 VAL 25 1HG2 VAL 25 11.556 4.816 0.488 219 HG22 VAL 25 2HG2 VAL 25 11.864 5.934 1.820 220 HG23 VAL 25 3HG2 VAL 25 10.837 4.520 2.073 221 H ALA 26 H ALA 26 14.178 1.417 0.607 222 HA ALA 26 HA ALA 26 16.642 1.284 1.994 223 HB1 ALA 26 1HB ALA 26 14.792 -0.416 1.582 224 HB2 ALA 26 2HB ALA 26 16.465 -0.985 1.656 225 HB3 ALA 26 3HB ALA 26 15.660 -0.791 0.091 226 H ALA 27 H ALA 27 15.857 2.399 -1.039 227 HA ALA 27 HA ALA 27 18.605 1.999 -2.030 228 HB1 ALA 27 1HB ALA 27 16.105 2.769 -3.552 229 HB2 ALA 27 2HB ALA 27 16.872 1.177 -3.550 230 HB3 ALA 27 3HB ALA 27 17.716 2.558 -4.248 231 H PHE 28 H PHE 28 16.207 4.278 -1.026 232 HA PHE 28 HA PHE 28 17.602 6.600 -1.986 233 HB2 PHE 28 1HB PHE 28 15.134 6.130 -0.368 234 HB3 PHE 28 2HB PHE 28 15.813 7.739 -0.465 235 HD1 PHE 28 HD1 PHE 28 13.854 5.232 -1.982 236 HD2 PHE 28 HD2 PHE 28 16.016 8.789 -2.787 237 HE1 PHE 28 HE1 PHE 28 12.651 5.471 -4.065 238 HE2 PHE 28 HE2 PHE 28 14.797 9.052 -4.911 239 HZ PHE 28 HZ PHE 28 13.100 7.386 -5.561 240 H ALA 29 H ALA 29 17.274 4.806 0.965 241 HA ALA 29 HA ALA 29 18.715 6.759 2.541 242 HB1 ALA 29 1HB ALA 29 17.304 4.191 3.093 243 HB2 ALA 29 2HB ALA 29 17.050 5.789 3.803 244 HB3 ALA 29 3HB ALA 29 18.452 4.828 4.272 245 H ARG 30 H ARG 30 19.189 3.228 1.906 246 HA ARG 30 HA ARG 30 22.069 3.842 1.988 247 HB2 ARG 30 1HB ARG 30 22.253 1.371 2.813 248 HB3 ARG 30 2HB ARG 30 21.864 2.657 3.943 249 HG2 ARG 30 1HG ARG 30 20.394 0.950 4.507 250 HG3 ARG 30 2HG ARG 30 19.414 2.030 3.517 251 HD2 ARG 30 1HD ARG 30 19.786 0.586 1.581 252 HD3 ARG 30 2HD ARG 30 20.774 -0.486 2.572 253 HE ARG 30 HE ARG 30 18.089 -0.057 3.540 254 HH11 ARG 30 1HH1 ARG 30 20.179 -1.994 1.514 255 HH12 ARG 30 2HH1 ARG 30 19.166 -3.399 1.576 256 HH21 ARG 30 1HH2 ARG 30 16.748 -1.926 3.645 257 HH22 ARG 30 2HH2 ARG 30 17.217 -3.363 2.794 Start of MODEL 3 1 H1 LYS 1 1H LYS 1 -23.327 7.382 -2.552 2 H2 LYS 1 2H LYS 1 -24.687 6.408 -2.312 3 H3 LYS 1 3H LYS 1 -23.488 5.935 -3.407 4 HA LYS 1 HA LYS 1 -23.177 6.182 -0.477 5 HB2 LYS 1 1HB LYS 1 -23.276 3.770 -2.294 6 HB3 LYS 1 2HB LYS 1 -22.800 3.713 -0.604 7 HG2 LYS 1 1HG LYS 1 -25.034 4.584 0.008 8 HG3 LYS 1 2HG LYS 1 -25.493 4.491 -1.694 9 HD2 LYS 1 1HD LYS 1 -24.608 2.172 0.026 10 HD3 LYS 1 2HD LYS 1 -26.269 2.529 -0.442 11 HE2 LYS 1 1HE LYS 1 -25.632 2.255 -2.807 12 HE3 LYS 1 2HE LYS 1 -23.998 1.834 -2.299 13 HZ1 LYS 1 1HZ LYS 1 -26.456 0.331 -1.600 14 HZ2 LYS 1 2HZ LYS 1 -24.887 -0.080 -1.134 15 HZ3 LYS 1 3HZ LYS 1 -25.325 -0.129 -2.767 16 H ILE 2 H ILE 2 -21.144 5.779 0.326 17 HA ILE 2 HA ILE 2 -18.956 6.388 -1.435 18 HB ILE 2 HB ILE 2 -19.119 5.837 1.532 19 HG12 ILE 2 1HG1 ILE 2 -18.276 8.268 1.571 20 HG13 ILE 2 2HG1 ILE 2 -18.741 8.325 -0.124 21 HG21 ILE 2 1HG2 ILE 2 -16.999 5.017 0.745 22 HG22 ILE 2 2HG2 ILE 2 -16.765 6.498 1.674 23 HG23 ILE 2 3HG2 ILE 2 -16.684 6.537 -0.088 24 HD11 ILE 2 1HD1 ILE 2 -21.045 7.795 0.498 25 HD12 ILE 2 2HD1 ILE 2 -20.468 9.264 1.287 26 HD13 ILE 2 3HD1 ILE 2 -20.570 7.756 2.197 27 H ASN 3 H ASN 3 -17.484 4.975 -2.221 28 HA ASN 3 HA ASN 3 -18.120 2.258 -2.421 29 HB2 ASN 3 1HB ASN 3 -16.792 3.404 -4.103 30 HB3 ASN 3 2HB ASN 3 -15.497 3.669 -2.944 31 HD21 ASN 3 1HD2 ASN 3 -14.061 2.620 -4.338 32 HD22 ASN 3 2HD2 ASN 3 -14.045 0.894 -4.491 33 H LYS 4 H LYS 4 -17.910 0.684 -1.050 34 HA LYS 4 HA LYS 4 -16.358 1.046 1.382 35 HB2 LYS 4 1HB LYS 4 -18.741 -0.449 0.585 36 HB3 LYS 4 2HB LYS 4 -17.624 -1.416 1.534 37 HG2 LYS 4 1HG LYS 4 -19.361 -0.302 2.874 38 HG3 LYS 4 2HG LYS 4 -17.725 0.142 3.349 39 HD2 LYS 4 1HD LYS 4 -17.922 2.238 2.142 40 HD3 LYS 4 2HD LYS 4 -19.529 1.782 1.573 41 HE2 LYS 4 1HE LYS 4 -20.367 1.783 3.846 42 HE3 LYS 4 2HE LYS 4 -18.753 2.121 4.468 43 HZ1 LYS 4 1HZ LYS 4 -20.300 3.922 2.685 44 HZ2 LYS 4 2HZ LYS 4 -18.785 4.246 3.367 45 HZ3 LYS 4 3HZ LYS 4 -20.144 4.111 4.360 46 H GLN 5 H GLN 5 -16.267 -0.626 -1.604 47 HA GLN 5 HA GLN 5 -14.581 -2.766 -0.843 48 HB2 GLN 5 1HB GLN 5 -15.882 -2.476 -3.033 49 HB3 GLN 5 2HB GLN 5 -14.571 -1.418 -3.537 50 HG2 GLN 5 1HG GLN 5 -14.169 -3.581 -4.436 51 HG3 GLN 5 2HG GLN 5 -12.995 -3.274 -3.160 52 HE21 GLN 5 1HE2 GLN 5 -13.954 -5.797 -4.295 53 HE22 GLN 5 2HE2 GLN 5 -14.579 -6.712 -2.963 54 H LYS 6 H LYS 6 -14.067 0.524 -1.876 55 HA LYS 6 HA LYS 6 -11.323 0.651 -2.167 56 HB2 LYS 6 1HB LYS 6 -12.413 2.552 -2.801 57 HB3 LYS 6 2HB LYS 6 -13.426 2.571 -1.368 58 HG2 LYS 6 1HG LYS 6 -11.636 3.372 -0.026 59 HG3 LYS 6 2HG LYS 6 -10.481 3.147 -1.335 60 HD2 LYS 6 1HD LYS 6 -11.686 4.801 -2.654 61 HD3 LYS 6 2HD LYS 6 -12.803 5.062 -1.318 62 HE2 LYS 6 1HE LYS 6 -10.862 5.719 0.096 63 HE3 LYS 6 2HE LYS 6 -9.836 5.606 -1.333 64 HZ1 LYS 6 1HZ LYS 6 -12.171 7.417 -1.050 65 HZ2 LYS 6 2HZ LYS 6 -11.132 7.339 -2.379 66 HZ3 LYS 6 3HZ LYS 6 -10.556 7.884 -0.886 67 H ILE 7 H ILE 7 -13.223 0.647 0.789 68 HA ILE 7 HA ILE 7 -11.254 1.346 2.607 69 HB ILE 7 HB ILE 7 -13.626 -0.455 2.892 70 HG12 ILE 7 1HG1 ILE 7 -13.842 1.599 4.655 71 HG13 ILE 7 2HG1 ILE 7 -12.895 2.349 3.393 72 HG21 ILE 7 1HG2 ILE 7 -11.625 -1.119 4.374 73 HG22 ILE 7 2HG2 ILE 7 -13.187 -0.855 5.152 74 HG23 ILE 7 3HG2 ILE 7 -11.939 0.391 5.226 75 HD11 ILE 7 1HD1 ILE 7 -14.567 1.743 1.760 76 HD12 ILE 7 2HD1 ILE 7 -15.214 2.777 3.036 77 HD13 ILE 7 3HD1 ILE 7 -15.555 1.046 3.045 78 H LYS 8 H LYS 8 -11.826 -1.790 1.052 79 HA LYS 8 HA LYS 8 -9.623 -2.975 2.533 80 HB2 LYS 8 1HB LYS 8 -10.977 -4.181 0.138 81 HB3 LYS 8 2HB LYS 8 -9.998 -5.001 1.333 82 HG2 LYS 8 1HG LYS 8 -12.129 -5.647 1.897 83 HG3 LYS 8 2HG LYS 8 -11.841 -4.294 2.993 84 HD2 LYS 8 1HD LYS 8 -13.233 -2.875 1.815 85 HD3 LYS 8 2HD LYS 8 -13.100 -3.822 0.327 86 HE2 LYS 8 1HE LYS 8 -14.440 -5.596 1.351 87 HE3 LYS 8 2HE LYS 8 -14.527 -4.681 2.854 88 HZ1 LYS 8 1HZ LYS 8 -16.537 -4.379 1.624 89 HZ2 LYS 8 2HZ LYS 8 -15.694 -3.906 0.239 90 HZ3 LYS 8 3HZ LYS 8 -15.683 -2.918 1.615 91 H ASN 9 H ASN 9 -10.099 -1.182 -0.322 92 HA ASN 9 HA ASN 9 -8.044 -2.226 -1.894 93 HB2 ASN 9 1HB ASN 9 -9.156 0.576 -1.715 94 HB3 ASN 9 2HB ASN 9 -7.837 0.182 -2.803 95 HD21 ASN 9 1HD2 ASN 9 -10.451 -2.053 -2.165 96 HD22 ASN 9 2HD2 ASN 9 -11.214 -1.876 -3.705 97 H GLY 10 H GLY 10 -8.016 0.629 0.206 98 HA2 GLY 10 1HA GLY 10 -5.205 0.948 0.187 99 HA3 GLY 10 2HA GLY 10 -6.320 1.687 1.327 100 H ALA 11 H ALA 11 -7.402 -0.812 2.275 101 HA ALA 11 HA ALA 11 -5.548 -1.347 4.340 102 HB1 ALA 11 1HB ALA 11 -8.111 -1.541 4.361 103 HB2 ALA 11 2HB ALA 11 -7.174 -2.757 5.241 104 HB3 ALA 11 3HB ALA 11 -7.850 -3.142 3.659 105 H LYS 12 H LYS 12 -6.103 -2.765 1.231 106 HA LYS 12 HA LYS 12 -4.600 -5.164 1.882 107 HB2 LYS 12 1HB LYS 12 -6.379 -5.827 0.633 108 HB3 LYS 12 2HB LYS 12 -6.423 -4.337 -0.288 109 HG2 LYS 12 1HG LYS 12 -4.170 -6.230 -0.730 110 HG3 LYS 12 2HG LYS 12 -5.760 -6.600 -1.411 111 HD2 LYS 12 1HD LYS 12 -5.698 -4.174 -2.243 112 HD3 LYS 12 2HD LYS 12 -3.971 -4.262 -1.948 113 HE2 LYS 12 1HE LYS 12 -5.568 -6.053 -3.777 114 HE3 LYS 12 2HE LYS 12 -4.426 -4.801 -4.267 115 HZ1 LYS 12 1HZ LYS 12 -3.742 -7.252 -2.735 116 HZ2 LYS 12 2HZ LYS 12 -2.651 -6.062 -3.226 117 HZ3 LYS 12 3HZ LYS 12 -3.443 -7.009 -4.381 118 H LYS 13 H LYS 13 -4.287 -2.262 -0.083 119 HA LYS 13 HA LYS 13 -1.725 -3.105 -1.091 120 HB2 LYS 13 1HB LYS 13 -1.657 -0.941 -2.192 121 HB3 LYS 13 2HB LYS 13 -3.209 -1.723 -2.491 122 HG2 LYS 13 1HG LYS 13 -4.334 -0.089 -1.504 123 HG3 LYS 13 2HG LYS 13 -3.274 -0.109 -0.103 124 HD2 LYS 13 1HD LYS 13 -1.659 1.281 -1.304 125 HD3 LYS 13 2HD LYS 13 -2.746 1.322 -2.703 126 HE2 LYS 13 1HE LYS 13 -4.436 2.442 -1.430 127 HE3 LYS 13 2HE LYS 13 -3.511 2.242 0.059 128 HZ1 LYS 13 1HZ LYS 13 -2.728 3.899 -2.287 129 HZ2 LYS 13 2HZ LYS 13 -1.805 3.701 -0.885 130 HZ3 LYS 13 3HZ LYS 13 -3.300 4.484 -0.806 131 H ALA 14 H ALA 14 -2.855 -1.778 1.787 132 HA ALA 14 HA ALA 14 -0.639 -0.131 2.430 133 HB1 ALA 14 1HB ALA 14 -2.288 -1.859 4.290 134 HB2 ALA 14 2HB ALA 14 -2.686 -0.207 3.815 135 HB3 ALA 14 3HB ALA 14 -1.239 -0.524 4.773 136 H LEU 15 H LEU 15 -1.170 -3.471 2.155 137 HA LEU 15 HA LEU 15 1.366 -4.259 3.322 138 HB2 LEU 15 1HB LEU 15 -0.492 -6.007 1.745 139 HB3 LEU 15 2HB LEU 15 0.559 -6.439 3.080 140 HG LEU 15 HG LEU 15 -1.821 -4.649 3.422 141 HD11 LEU 15 1HD1 LEU 15 -2.732 -6.687 2.615 142 HD12 LEU 15 2HD1 LEU 15 -2.942 -6.690 4.366 143 HD13 LEU 15 3HD1 LEU 15 -1.657 -7.649 3.631 144 HD21 LEU 15 1HD2 LEU 15 -0.127 -4.528 5.167 145 HD22 LEU 15 2HD2 LEU 15 -0.202 -6.276 5.377 146 HD23 LEU 15 3HD2 LEU 15 -1.602 -5.281 5.772 147 H GLY 16 H GLY 16 -0.198 -3.768 0.243 148 HA2 GLY 16 1HA GLY 16 1.847 -4.978 -1.362 149 HA3 GLY 16 2HA GLY 16 0.496 -3.999 -1.929 150 H VAL 17 H VAL 17 0.782 -1.663 -0.765 151 HA VAL 17 HA VAL 17 2.845 -0.476 -2.342 152 HB VAL 17 HB VAL 17 0.581 0.491 -1.549 153 HG11 VAL 17 1HG1 VAL 17 0.657 0.488 0.743 154 HG12 VAL 17 2HG1 VAL 17 0.986 2.175 0.335 155 HG13 VAL 17 3HG1 VAL 17 2.312 1.104 0.793 156 HG21 VAL 17 1HG2 VAL 17 2.071 1.667 -3.046 157 HG22 VAL 17 2HG2 VAL 17 3.065 2.185 -1.686 158 HG23 VAL 17 3HG2 VAL 17 1.419 2.794 -1.857 159 H ALA 18 H ALA 18 2.615 -1.516 0.917 160 HA ALA 18 HA ALA 18 4.850 -0.214 2.008 161 HB1 ALA 18 1HB ALA 18 3.878 -3.006 2.630 162 HB2 ALA 18 2HB ALA 18 3.270 -1.520 3.360 163 HB3 ALA 18 3HB ALA 18 4.936 -2.021 3.641 164 H SER 19 H SER 19 4.617 -2.732 -0.328 165 HA SER 19 HA SER 19 7.448 -3.418 -0.108 166 HB2 SER 19 1HB SER 19 5.372 -4.469 -2.030 167 HB3 SER 19 2HB SER 19 6.945 -5.185 -1.678 168 HG SER 19 HG SER 19 4.613 -5.593 -0.434 169 H LYS 20 H LYS 20 5.713 -1.003 -1.290 170 HA LYS 20 HA LYS 20 7.271 -0.734 -3.743 171 HB2 LYS 20 1HB LYS 20 4.495 0.025 -3.049 172 HB3 LYS 20 2HB LYS 20 5.378 1.096 -4.119 173 HG2 LYS 20 1HG LYS 20 4.008 -0.524 -5.343 174 HG3 LYS 20 2HG LYS 20 5.722 -0.698 -5.700 175 HD2 LYS 20 1HD LYS 20 5.838 -2.580 -4.118 176 HD3 LYS 20 2HD LYS 20 4.108 -2.422 -3.820 177 HE2 LYS 20 1HE LYS 20 4.476 -4.188 -5.413 178 HE3 LYS 20 2HE LYS 20 3.704 -2.830 -6.228 179 HZ1 LYS 20 1HZ LYS 20 5.872 -2.165 -7.078 180 HZ2 LYS 20 2HZ LYS 20 5.491 -3.738 -7.559 181 HZ3 LYS 20 3HZ LYS 20 6.601 -3.484 -6.309 182 H VAL 21 H VAL 21 7.514 0.000 -0.743 183 HA VAL 21 HA VAL 21 8.467 2.729 -1.162 184 HB VAL 21 HB VAL 21 7.511 3.522 0.889 185 HG11 VAL 21 1HG1 VAL 21 5.382 2.036 -0.610 186 HG12 VAL 21 2HG1 VAL 21 6.074 3.587 -1.100 187 HG13 VAL 21 3HG1 VAL 21 5.147 3.467 0.397 188 HG21 VAL 21 1HG2 VAL 21 6.664 0.677 1.307 189 HG22 VAL 21 2HG2 VAL 21 5.871 2.017 2.143 190 HG23 VAL 21 3HG2 VAL 21 7.593 1.726 2.384 191 H ALA 22 H ALA 22 8.494 -0.224 0.738 192 HA ALA 22 HA ALA 22 10.607 0.510 2.465 193 HB1 ALA 22 1HB ALA 22 9.256 -2.012 1.694 194 HB2 ALA 22 2HB ALA 22 9.420 -1.263 3.283 195 HB3 ALA 22 3HB ALA 22 10.787 -2.115 2.564 196 HA PRO 23 HA PRO 23 13.501 -1.783 -0.599 197 HB2 PRO 23 1HB PRO 23 12.174 -1.824 -3.193 198 HB3 PRO 23 2HB PRO 23 12.871 -3.164 -2.283 199 HG2 PRO 23 1HG PRO 23 10.209 -2.874 -2.650 200 HG3 PRO 23 2HG PRO 23 10.897 -3.628 -1.202 201 HD2 PRO 23 1HD PRO 23 9.864 -0.843 -1.591 202 HD3 PRO 23 2HD PRO 23 9.624 -1.944 -0.223 203 H VAL 24 H VAL 24 11.409 0.800 -1.598 204 HA VAL 24 HA VAL 24 13.357 1.960 -3.356 205 HB VAL 24 HB VAL 24 11.896 3.736 -3.777 206 HG11 VAL 24 1HG1 VAL 24 10.378 1.209 -3.314 207 HG12 VAL 24 2HG1 VAL 24 11.126 1.770 -4.808 208 HG13 VAL 24 3HG1 VAL 24 9.701 2.592 -4.169 209 HG21 VAL 24 1HG2 VAL 24 10.403 3.011 -1.273 210 HG22 VAL 24 2HG2 VAL 24 9.835 4.171 -2.474 211 HG23 VAL 24 3HG2 VAL 24 11.324 4.485 -1.582 212 H VAL 25 H VAL 25 12.225 2.600 -0.053 213 HA VAL 25 HA VAL 25 13.981 4.786 0.428 214 HB VAL 25 HB VAL 25 12.666 2.881 2.371 215 HG11 VAL 25 1HG1 VAL 25 14.660 4.091 3.291 216 HG12 VAL 25 2HG1 VAL 25 13.144 4.479 4.104 217 HG13 VAL 25 3HG1 VAL 25 13.836 5.610 2.941 218 HG21 VAL 25 1HG2 VAL 25 11.518 4.678 0.687 219 HG22 VAL 25 2HG2 VAL 25 11.732 5.652 2.145 220 HG23 VAL 25 3HG2 VAL 25 10.815 4.146 2.216 221 H ALA 26 H ALA 26 14.286 1.405 0.485 222 HA ALA 26 HA ALA 26 16.764 1.270 1.850 223 HB1 ALA 26 1HB ALA 26 15.017 -0.490 1.333 224 HB2 ALA 26 2HB ALA 26 16.719 -0.972 1.275 225 HB3 ALA 26 3HB ALA 26 15.829 -0.667 -0.223 226 H ALA 27 H ALA 27 15.862 2.536 -1.107 227 HA ALA 27 HA ALA 27 18.606 2.372 -2.165 228 HB1 ALA 27 1HB ALA 27 16.045 3.134 -3.588 229 HB2 ALA 27 2HB ALA 27 16.860 1.569 -3.694 230 HB3 ALA 27 3HB ALA 27 17.648 3.016 -4.323 231 H PHE 28 H PHE 28 16.159 4.445 -0.892 232 HA PHE 28 HA PHE 28 17.409 6.901 -1.726 233 HB2 PHE 28 1HB PHE 28 15.028 6.187 -0.075 234 HB3 PHE 28 2HB PHE 28 15.657 7.820 -0.011 235 HD1 PHE 28 HD1 PHE 28 13.815 5.381 -1.802 236 HD2 PHE 28 HD2 PHE 28 15.659 9.182 -2.132 237 HE1 PHE 28 HE1 PHE 28 12.528 5.809 -3.799 238 HE2 PHE 28 HE2 PHE 28 14.349 9.645 -4.171 239 HZ PHE 28 HZ PHE 28 12.767 7.949 -5.017 240 H ALA 29 H ALA 29 17.094 4.980 1.181 241 HA ALA 29 HA ALA 29 18.656 6.802 2.776 242 HB1 ALA 29 1HB ALA 29 17.271 4.199 3.240 243 HB2 ALA 29 2HB ALA 29 17.025 5.755 4.040 244 HB3 ALA 29 3HB ALA 29 18.453 4.786 4.413 245 H ARG 30 H ARG 30 19.045 3.472 1.521 246 HA ARG 30 HA ARG 30 21.908 3.683 2.093 247 HB2 ARG 30 1HB ARG 30 20.230 1.309 1.263 248 HB3 ARG 30 2HB ARG 30 21.978 1.257 1.445 249 HG2 ARG 30 1HG ARG 30 21.299 0.442 3.470 250 HG3 ARG 30 2HG ARG 30 21.466 2.159 3.842 251 HD2 ARG 30 1HD ARG 30 19.411 1.553 4.778 252 HD3 ARG 30 2HD ARG 30 18.988 2.343 3.260 253 HE ARG 30 HE ARG 30 18.984 -0.133 2.426 254 HH11 ARG 30 1HH1 ARG 30 17.769 1.105 5.467 255 HH12 ARG 30 2HH1 ARG 30 16.624 -0.180 5.679 256 HH21 ARG 30 1HH2 ARG 30 17.501 -1.838 2.713 257 HH22 ARG 30 2HH2 ARG 30 16.458 -1.849 4.099 Start of MODEL 4 1 H1 LYS 1 1H LYS 1 -19.799 9.903 -4.071 2 H2 LYS 1 2H LYS 1 -20.345 9.555 -5.631 3 H3 LYS 1 3H LYS 1 -18.759 9.173 -5.185 4 HA LYS 1 HA LYS 1 -21.213 7.970 -4.055 5 HB2 LYS 1 1HB LYS 1 -20.742 7.225 -6.355 6 HB3 LYS 1 2HB LYS 1 -19.099 6.810 -5.887 7 HG2 LYS 1 1HG LYS 1 -19.966 5.124 -4.338 8 HG3 LYS 1 2HG LYS 1 -21.612 5.534 -4.824 9 HD2 LYS 1 1HD LYS 1 -20.918 3.556 -6.004 10 HD3 LYS 1 2HD LYS 1 -21.034 4.891 -7.148 11 HE2 LYS 1 1HE LYS 1 -18.634 5.182 -7.111 12 HE3 LYS 1 2HE LYS 1 -18.472 3.941 -5.868 13 HZ1 LYS 1 1HZ LYS 1 -19.496 3.501 -8.618 14 HZ2 LYS 1 2HZ LYS 1 -19.315 2.314 -7.430 15 HZ3 LYS 1 3HZ LYS 1 -17.954 3.083 -8.068 16 H ILE 2 H ILE 2 -20.940 6.884 -2.188 17 HA ILE 2 HA ILE 2 -18.310 6.844 -0.972 18 HB ILE 2 HB ILE 2 -21.004 6.000 0.115 19 HG12 ILE 2 1HG1 ILE 2 -19.372 8.493 0.644 20 HG13 ILE 2 2HG1 ILE 2 -20.817 8.424 -0.360 21 HG21 ILE 2 1HG2 ILE 2 -19.033 4.877 1.103 22 HG22 ILE 2 2HG2 ILE 2 -19.952 5.847 2.253 23 HG23 ILE 2 3HG2 ILE 2 -18.427 6.455 1.600 24 HD11 ILE 2 1HD1 ILE 2 -22.129 7.759 1.591 25 HD12 ILE 2 2HD1 ILE 2 -21.327 9.310 1.833 26 HD13 ILE 2 3HD1 ILE 2 -20.679 7.855 2.591 27 H ASN 3 H ASN 3 -17.150 4.992 -0.586 28 HA ASN 3 HA ASN 3 -18.339 2.427 -1.359 29 HB2 ASN 3 1HB ASN 3 -17.215 3.252 -3.345 30 HB3 ASN 3 2HB ASN 3 -15.751 3.560 -2.423 31 HD21 ASN 3 1HD2 ASN 3 -14.562 2.267 -3.798 32 HD22 ASN 3 2HD2 ASN 3 -14.669 0.540 -3.773 33 H LYS 4 H LYS 4 -17.894 0.891 0.069 34 HA LYS 4 HA LYS 4 -15.914 1.472 2.145 35 HB2 LYS 4 1HB LYS 4 -18.201 -0.506 2.066 36 HB3 LYS 4 2HB LYS 4 -17.055 -0.379 3.391 37 HG2 LYS 4 1HG LYS 4 -18.967 1.757 2.476 38 HG3 LYS 4 2HG LYS 4 -19.105 0.779 3.937 39 HD2 LYS 4 1HD LYS 4 -16.878 1.729 4.639 40 HD3 LYS 4 2HD LYS 4 -17.019 2.852 3.288 41 HE2 LYS 4 1HE LYS 4 -18.947 2.585 5.591 42 HE3 LYS 4 2HE LYS 4 -17.769 3.876 5.370 43 HZ1 LYS 4 1HZ LYS 4 -18.921 4.542 3.365 44 HZ2 LYS 4 2HZ LYS 4 -19.984 4.546 4.679 45 HZ3 LYS 4 3HZ LYS 4 -20.039 3.288 3.552 46 H GLN 5 H GLN 5 -16.450 -0.537 -0.575 47 HA GLN 5 HA GLN 5 -14.781 -2.704 0.151 48 HB2 GLN 5 1HB GLN 5 -16.328 -2.707 -1.815 49 HB3 GLN 5 2HB GLN 5 -15.238 -1.578 -2.611 50 HG2 GLN 5 1HG GLN 5 -14.872 -3.846 -3.395 51 HG3 GLN 5 2HG GLN 5 -13.456 -3.221 -2.552 52 HE21 GLN 5 1HE2 GLN 5 -12.660 -5.251 -2.075 53 HE22 GLN 5 2HE2 GLN 5 -13.395 -6.287 -0.900 54 H LYS 6 H LYS 6 -14.245 0.429 -1.276 55 HA LYS 6 HA LYS 6 -11.590 0.390 -1.982 56 HB2 LYS 6 1HB LYS 6 -12.695 2.309 -2.520 57 HB3 LYS 6 2HB LYS 6 -13.425 2.445 -0.933 58 HG2 LYS 6 1HG LYS 6 -11.381 3.213 0.017 59 HG3 LYS 6 2HG LYS 6 -10.502 2.865 -1.468 60 HD2 LYS 6 1HD LYS 6 -10.910 5.220 -1.391 61 HD3 LYS 6 2HD LYS 6 -11.956 4.509 -2.622 62 HE2 LYS 6 1HE LYS 6 -13.832 4.533 -1.073 63 HE3 LYS 6 2HE LYS 6 -12.795 5.193 0.192 64 HZ1 LYS 6 1HZ LYS 6 -14.137 6.899 -0.886 65 HZ2 LYS 6 2HZ LYS 6 -13.428 6.538 -2.377 66 HZ3 LYS 6 3HZ LYS 6 -12.487 7.178 -1.126 67 H ILE 7 H ILE 7 -12.992 0.658 1.231 68 HA ILE 7 HA ILE 7 -10.706 1.320 2.658 69 HB ILE 7 HB ILE 7 -13.159 -0.190 3.459 70 HG12 ILE 7 1HG1 ILE 7 -12.903 2.015 5.031 71 HG13 ILE 7 2HG1 ILE 7 -12.099 2.552 3.573 72 HG21 ILE 7 1HG2 ILE 7 -11.005 -0.934 4.680 73 HG22 ILE 7 2HG2 ILE 7 -12.410 -0.481 5.645 74 HG23 ILE 7 3HG2 ILE 7 -11.072 0.655 5.442 75 HD11 ILE 7 1HD1 ILE 7 -14.042 2.051 2.266 76 HD12 ILE 7 2HD1 ILE 7 -14.423 3.180 3.569 77 HD13 ILE 7 3HD1 ILE 7 -14.882 1.482 3.710 78 H LYS 8 H LYS 8 -11.818 -1.885 1.572 79 HA LYS 8 HA LYS 8 -9.631 -3.215 2.904 80 HB2 LYS 8 1HB LYS 8 -11.240 -4.332 0.630 81 HB3 LYS 8 2HB LYS 8 -10.258 -5.225 1.769 82 HG2 LYS 8 1HG LYS 8 -12.427 -5.633 2.467 83 HG3 LYS 8 2HG LYS 8 -11.872 -4.360 3.557 84 HD2 LYS 8 1HD LYS 8 -13.208 -2.771 2.605 85 HD3 LYS 8 2HD LYS 8 -13.210 -3.574 1.027 86 HE2 LYS 8 1HE LYS 8 -15.409 -3.736 2.051 87 HE3 LYS 8 2HE LYS 8 -14.659 -5.327 1.971 88 HZ1 LYS 8 1HZ LYS 8 -15.735 -4.929 4.106 89 HZ2 LYS 8 2HZ LYS 8 -14.728 -3.601 4.380 90 HZ3 LYS 8 3HZ LYS 8 -14.071 -5.154 4.289 91 H ASN 9 H ASN 9 -10.224 -1.715 -0.143 92 HA ASN 9 HA ASN 9 -8.132 -2.904 -1.582 93 HB2 ASN 9 1HB ASN 9 -9.521 -0.247 -1.861 94 HB3 ASN 9 2HB ASN 9 -8.174 -0.681 -2.902 95 HD21 ASN 9 1HD2 ASN 9 -11.431 -1.503 -1.959 96 HD22 ASN 9 2HD2 ASN 9 -11.849 -2.301 -3.423 97 H GLY 10 H GLY 10 -8.312 0.228 0.071 98 HA2 GLY 10 1HA GLY 10 -5.568 0.836 -0.140 99 HA3 GLY 10 2HA GLY 10 -6.690 1.551 1.005 100 H ALA 11 H ALA 11 -7.356 -1.079 2.159 101 HA ALA 11 HA ALA 11 -5.229 -1.227 4.064 102 HB1 ALA 11 1HB ALA 11 -7.694 -1.588 4.525 103 HB2 ALA 11 2HB ALA 11 -6.586 -2.771 5.231 104 HB3 ALA 11 3HB ALA 11 -7.500 -3.177 3.778 105 H LYS 12 H LYS 12 -6.221 -3.042 1.248 106 HA LYS 12 HA LYS 12 -4.486 -5.264 1.733 107 HB2 LYS 12 1HB LYS 12 -6.354 -5.847 0.518 108 HB3 LYS 12 2HB LYS 12 -6.283 -4.405 -0.477 109 HG2 LYS 12 1HG LYS 12 -4.132 -6.453 -0.713 110 HG3 LYS 12 2HG LYS 12 -5.701 -6.725 -1.481 111 HD2 LYS 12 1HD LYS 12 -5.477 -4.467 -2.493 112 HD3 LYS 12 2HD LYS 12 -3.834 -4.411 -1.897 113 HE2 LYS 12 1HE LYS 12 -3.844 -5.118 -4.221 114 HE3 LYS 12 2HE LYS 12 -3.306 -6.438 -3.186 115 HZ1 LYS 12 1HZ LYS 12 -6.021 -6.121 -4.347 116 HZ2 LYS 12 2HZ LYS 12 -5.548 -7.370 -3.308 117 HZ3 LYS 12 3HZ LYS 12 -4.848 -7.234 -4.838 118 H LYS 13 H LYS 13 -4.332 -2.340 -0.206 119 HA LYS 13 HA LYS 13 -1.735 -3.037 -1.239 120 HB2 LYS 13 1HB LYS 13 -1.817 -0.890 -2.353 121 HB3 LYS 13 2HB LYS 13 -3.332 -1.755 -2.619 122 HG2 LYS 13 1HG LYS 13 -4.456 -0.042 -1.791 123 HG3 LYS 13 2HG LYS 13 -3.639 -0.261 -0.255 124 HD2 LYS 13 1HD LYS 13 -1.810 1.181 -1.045 125 HD3 LYS 13 2HD LYS 13 -2.709 1.465 -2.541 126 HE2 LYS 13 1HE LYS 13 -4.511 2.480 -1.343 127 HE3 LYS 13 2HE LYS 13 -3.806 2.016 0.206 128 HZ1 LYS 13 1HZ LYS 13 -2.675 3.971 -1.724 129 HZ2 LYS 13 2HZ LYS 13 -1.941 3.505 -0.277 130 HZ3 LYS 13 3HZ LYS 13 -3.409 4.336 -0.247 131 H ALA 14 H ALA 14 -2.986 -1.641 1.593 132 HA ALA 14 HA ALA 14 -0.807 0.069 2.200 133 HB1 ALA 14 1HB ALA 14 -2.511 -1.542 4.109 134 HB2 ALA 14 2HB ALA 14 -2.875 0.084 3.530 135 HB3 ALA 14 3HB ALA 14 -1.461 -0.193 4.547 136 H LEU 15 H LEU 15 -1.312 -3.310 2.191 137 HA LEU 15 HA LEU 15 1.254 -3.956 3.372 138 HB2 LEU 15 1HB LEU 15 -0.559 -5.825 1.880 139 HB3 LEU 15 2HB LEU 15 0.535 -6.176 3.200 140 HG LEU 15 HG LEU 15 -1.907 -4.475 3.540 141 HD11 LEU 15 1HD1 LEU 15 -2.637 -6.647 2.768 142 HD12 LEU 15 2HD1 LEU 15 -2.991 -6.478 4.489 143 HD13 LEU 15 3HD1 LEU 15 -1.616 -7.450 3.961 144 HD21 LEU 15 1HD2 LEU 15 -0.211 -4.208 5.255 145 HD22 LEU 15 2HD2 LEU 15 -0.149 -5.954 5.497 146 HD23 LEU 15 3HD2 LEU 15 -1.610 -5.059 5.910 147 H GLY 16 H GLY 16 -0.341 -3.734 0.275 148 HA2 GLY 16 1HA GLY 16 1.667 -5.009 -1.291 149 HA3 GLY 16 2HA GLY 16 0.348 -3.994 -1.885 150 H VAL 17 H VAL 17 0.746 -1.664 -0.751 151 HA VAL 17 HA VAL 17 2.866 -0.598 -2.377 152 HB VAL 17 HB VAL 17 0.550 0.390 -1.759 153 HG11 VAL 17 1HG1 VAL 17 0.522 0.603 0.518 154 HG12 VAL 17 2HG1 VAL 17 0.877 2.250 -0.022 155 HG13 VAL 17 3HG1 VAL 17 2.177 1.224 0.587 156 HG21 VAL 17 1HG2 VAL 17 2.080 1.440 -3.308 157 HG22 VAL 17 2HG2 VAL 17 3.012 2.110 -1.969 158 HG23 VAL 17 3HG2 VAL 17 1.363 2.663 -2.260 159 H ALA 18 H ALA 18 2.506 -1.499 0.886 160 HA ALA 18 HA ALA 18 4.608 -0.092 2.084 161 HB1 ALA 18 1HB ALA 18 3.778 -2.940 2.644 162 HB2 ALA 18 2HB ALA 18 3.050 -1.499 3.355 163 HB3 ALA 18 3HB ALA 18 4.730 -1.906 3.709 164 H SER 19 H SER 19 4.634 -2.660 -0.221 165 HA SER 19 HA SER 19 7.493 -3.149 0.128 166 HB2 SER 19 1HB SER 19 5.520 -4.411 -1.783 167 HB3 SER 19 2HB SER 19 7.160 -4.971 -1.452 168 HG SER 19 HG SER 19 6.328 -5.083 0.837 169 H LYS 20 H LYS 20 5.742 -0.841 -1.147 170 HA LYS 20 HA LYS 20 7.329 -0.591 -3.581 171 HB2 LYS 20 1HB LYS 20 4.575 0.313 -2.870 172 HB3 LYS 20 2HB LYS 20 5.495 1.226 -4.049 173 HG2 LYS 20 1HG LYS 20 3.967 -0.410 -5.073 174 HG3 LYS 20 2HG LYS 20 5.654 -0.687 -5.498 175 HD2 LYS 20 1HD LYS 20 5.809 -2.506 -3.946 176 HD3 LYS 20 2HD LYS 20 4.207 -2.160 -3.296 177 HE2 LYS 20 1HE LYS 20 3.228 -2.699 -5.481 178 HE3 LYS 20 2HE LYS 20 4.834 -3.077 -6.100 179 HZ1 LYS 20 1HZ LYS 20 3.588 -5.057 -5.410 180 HZ2 LYS 20 2HZ LYS 20 3.529 -4.468 -3.827 181 HZ3 LYS 20 3HZ LYS 20 5.016 -4.866 -4.524 182 H VAL 21 H VAL 21 7.529 0.143 -0.566 183 HA VAL 21 HA VAL 21 8.493 2.874 -0.966 184 HB VAL 21 HB VAL 21 7.521 3.648 1.080 185 HG11 VAL 21 1HG1 VAL 21 5.416 2.139 -0.433 186 HG12 VAL 21 2HG1 VAL 21 6.070 3.717 -0.886 187 HG13 VAL 21 3HG1 VAL 21 5.147 3.539 0.608 188 HG21 VAL 21 1HG2 VAL 21 6.722 0.791 1.505 189 HG22 VAL 21 2HG2 VAL 21 5.904 2.115 2.339 190 HG23 VAL 21 3HG2 VAL 21 7.632 1.857 2.579 191 H ALA 22 H ALA 22 8.527 -0.090 0.916 192 HA ALA 22 HA ALA 22 10.681 0.603 2.603 193 HB1 ALA 22 1HB ALA 22 9.305 -1.910 1.823 194 HB2 ALA 22 2HB ALA 22 9.474 -1.167 3.417 195 HB3 ALA 22 3HB ALA 22 10.839 -2.018 2.689 196 HA PRO 23 HA PRO 23 13.483 -1.668 -0.579 197 HB2 PRO 23 1HB PRO 23 12.081 -1.611 -3.135 198 HB3 PRO 23 2HB PRO 23 12.808 -2.982 -2.296 199 HG2 PRO 23 1HG PRO 23 10.138 -2.685 -2.569 200 HG3 PRO 23 2HG PRO 23 10.875 -3.490 -1.171 201 HD2 PRO 23 1HD PRO 23 9.808 -0.703 -1.423 202 HD3 PRO 23 2HD PRO 23 9.636 -1.853 -0.086 203 H VAL 24 H VAL 24 11.385 0.959 -1.477 204 HA VAL 24 HA VAL 24 13.302 2.124 -3.265 205 HB VAL 24 HB VAL 24 11.856 3.950 -3.598 206 HG11 VAL 24 1HG1 VAL 24 10.323 1.414 -3.231 207 HG12 VAL 24 2HG1 VAL 24 11.109 1.998 -4.697 208 HG13 VAL 24 3HG1 VAL 24 9.683 2.827 -4.066 209 HG21 VAL 24 1HG2 VAL 24 10.402 3.108 -1.110 210 HG22 VAL 24 2HG2 VAL 24 9.782 4.288 -2.264 211 HG23 VAL 24 3HG2 VAL 24 11.278 4.613 -1.386 212 H VAL 25 H VAL 25 12.250 2.762 0.066 213 HA VAL 25 HA VAL 25 14.118 4.860 0.541 214 HB VAL 25 HB VAL 25 12.794 2.960 2.493 215 HG11 VAL 25 1HG1 VAL 25 14.850 4.093 3.367 216 HG12 VAL 25 2HG1 VAL 25 13.373 4.532 4.227 217 HG13 VAL 25 3HG1 VAL 25 14.075 5.645 3.051 218 HG21 VAL 25 1HG2 VAL 25 11.667 4.865 0.877 219 HG22 VAL 25 2HG2 VAL 25 11.913 5.742 2.392 220 HG23 VAL 25 3HG2 VAL 25 10.966 4.251 2.378 221 H ALA 26 H ALA 26 14.266 1.475 0.464 222 HA ALA 26 HA ALA 26 16.804 1.200 1.703 223 HB1 ALA 26 1HB ALA 26 14.948 -0.475 1.250 224 HB2 ALA 26 2HB ALA 26 16.623 -1.021 1.102 225 HB3 ALA 26 3HB ALA 26 15.679 -0.653 -0.346 226 H ALA 27 H ALA 27 15.823 2.616 -1.142 227 HA ALA 27 HA ALA 27 18.506 2.344 -2.331 228 HB1 ALA 27 1HB ALA 27 15.944 3.307 -3.626 229 HB2 ALA 27 2HB ALA 27 16.643 1.696 -3.810 230 HB3 ALA 27 3HB ALA 27 17.508 3.105 -4.423 231 H PHE 28 H PHE 28 16.239 4.459 -0.822 232 HA PHE 28 HA PHE 28 17.602 6.882 -1.605 233 HB2 PHE 28 1HB PHE 28 15.211 6.250 0.073 234 HB3 PHE 28 2HB PHE 28 15.930 7.844 0.152 235 HD1 PHE 28 HD1 PHE 28 13.855 5.586 -1.590 236 HD2 PHE 28 HD2 PHE 28 16.030 9.202 -2.005 237 HE1 PHE 28 HE1 PHE 28 12.559 6.117 -3.559 238 HE2 PHE 28 HE2 PHE 28 14.714 9.768 -4.011 239 HZ PHE 28 HZ PHE 28 12.962 8.220 -4.799 240 H ALA 29 H ALA 29 17.434 4.675 1.053 241 HA ALA 29 HA ALA 29 19.140 6.288 2.734 242 HB1 ALA 29 1HB ALA 29 17.224 4.607 3.393 243 HB2 ALA 29 2HB ALA 29 18.640 4.834 4.426 244 HB3 ALA 29 3HB ALA 29 18.549 3.441 3.345 245 H ARG 30 H ARG 30 19.296 3.086 1.184 246 HA ARG 30 HA ARG 30 22.184 3.038 1.375 247 HB2 ARG 30 1HB ARG 30 20.155 1.153 0.225 248 HB3 ARG 30 2HB ARG 30 21.888 0.894 0.079 249 HG2 ARG 30 1HG ARG 30 22.094 0.864 2.510 250 HG3 ARG 30 2HG ARG 30 20.350 1.115 2.655 251 HD2 ARG 30 1HD ARG 30 21.256 -1.080 0.934 252 HD3 ARG 30 2HD ARG 30 21.479 -1.308 2.670 253 HE ARG 30 HE ARG 30 18.887 -0.469 2.409 254 HH11 ARG 30 1HH1 ARG 30 20.732 -3.065 0.954 255 HH12 ARG 30 2HH1 ARG 30 19.393 -4.168 0.922 256 HH21 ARG 30 1HH2 ARG 30 17.140 -1.949 2.418 257 HH22 ARG 30 2HH2 ARG 30 17.356 -3.535 1.749 Start of MODEL 5 1 H1 LYS 1 1H LYS 1 -23.713 6.234 -4.631 2 H2 LYS 1 2H LYS 1 -22.026 6.288 -4.728 3 H3 LYS 1 3H LYS 1 -22.811 6.845 -3.341 4 HA LYS 1 HA LYS 1 -23.587 4.651 -2.822 5 HB2 LYS 1 1HB LYS 1 -22.811 2.726 -4.115 6 HB3 LYS 1 2HB LYS 1 -23.755 3.809 -5.125 7 HG2 LYS 1 1HG LYS 1 -21.752 4.677 -6.142 8 HG3 LYS 1 2HG LYS 1 -20.747 3.721 -5.050 9 HD2 LYS 1 1HD LYS 1 -21.702 1.666 -6.002 10 HD3 LYS 1 2HD LYS 1 -22.664 2.641 -7.114 11 HE2 LYS 1 1HE LYS 1 -20.640 3.525 -8.123 12 HE3 LYS 1 2HE LYS 1 -19.651 2.627 -6.973 13 HZ1 LYS 1 1HZ LYS 1 -19.748 1.478 -9.075 14 HZ2 LYS 1 2HZ LYS 1 -21.437 1.449 -9.031 15 HZ3 LYS 1 3HZ LYS 1 -20.549 0.566 -7.896 16 H ILE 2 H ILE 2 -22.257 3.176 -1.586 17 HA ILE 2 HA ILE 2 -19.483 4.103 -1.296 18 HB ILE 2 HB ILE 2 -21.433 3.261 0.852 19 HG12 ILE 2 1HG1 ILE 2 -19.916 5.843 0.402 20 HG13 ILE 2 2HG1 ILE 2 -21.626 5.592 0.069 21 HG21 ILE 2 1HG2 ILE 2 -19.249 2.288 1.285 22 HG22 ILE 2 2HG2 ILE 2 -19.619 3.560 2.451 23 HG23 ILE 2 3HG2 ILE 2 -18.495 3.875 1.128 24 HD11 ILE 2 1HD1 ILE 2 -22.004 5.179 2.460 25 HD12 ILE 2 2HD1 ILE 2 -21.339 6.781 2.145 26 HD13 ILE 2 3HD1 ILE 2 -20.297 5.501 2.768 27 H ASN 3 H ASN 3 -17.927 2.558 -1.193 28 HA ASN 3 HA ASN 3 -18.821 -0.223 -1.557 29 HB2 ASN 3 1HB ASN 3 -17.713 0.652 -3.525 30 HB3 ASN 3 2HB ASN 3 -16.348 1.197 -2.560 31 HD21 ASN 3 1HD2 ASN 3 -14.904 0.023 -3.779 32 HD22 ASN 3 2HD2 ASN 3 -14.789 -1.701 -3.688 33 H LYS 4 H LYS 4 -18.305 -1.627 -0.020 34 HA LYS 4 HA LYS 4 -16.534 -0.758 2.122 35 HB2 LYS 4 1HB LYS 4 -18.775 -2.666 1.887 36 HB3 LYS 4 2HB LYS 4 -17.466 -3.178 2.942 37 HG2 LYS 4 1HG LYS 4 -19.297 -1.983 4.106 38 HG3 LYS 4 2HG LYS 4 -17.713 -1.235 4.310 39 HD2 LYS 4 1HD LYS 4 -18.266 0.399 2.571 40 HD3 LYS 4 2HD LYS 4 -19.854 -0.349 2.376 41 HE2 LYS 4 1HE LYS 4 -18.810 0.941 4.895 42 HE3 LYS 4 2HE LYS 4 -19.952 1.668 3.767 43 HZ1 LYS 4 1HZ LYS 4 -20.404 -0.784 5.379 44 HZ2 LYS 4 2HZ LYS 4 -21.496 -0.150 4.258 45 HZ3 LYS 4 3HZ LYS 4 -21.107 0.729 5.647 46 H GLN 5 H GLN 5 -16.530 -2.765 -0.618 47 HA GLN 5 HA GLN 5 -14.517 -4.587 0.186 48 HB2 GLN 5 1HB GLN 5 -15.974 -4.792 -1.877 49 HB3 GLN 5 2HB GLN 5 -14.978 -3.540 -2.608 50 HG2 GLN 5 1HG GLN 5 -13.001 -5.010 -2.158 51 HG3 GLN 5 2HG GLN 5 -14.141 -6.287 -1.746 52 HE21 GLN 5 1HE2 GLN 5 -12.212 -6.277 -3.859 53 HE22 GLN 5 2HE2 GLN 5 -13.087 -6.438 -5.341 54 H LYS 6 H LYS 6 -14.565 -1.372 -1.172 55 HA LYS 6 HA LYS 6 -11.902 -0.919 -1.757 56 HB2 LYS 6 1HB LYS 6 -13.304 0.763 -2.418 57 HB3 LYS 6 2HB LYS 6 -14.157 0.787 -0.886 58 HG2 LYS 6 1HG LYS 6 -12.357 1.912 0.183 59 HG3 LYS 6 2HG LYS 6 -11.325 1.720 -1.229 60 HD2 LYS 6 1HD LYS 6 -12.917 3.086 -2.510 61 HD3 LYS 6 2HD LYS 6 -13.833 3.372 -1.032 62 HE2 LYS 6 1HE LYS 6 -11.758 4.318 -0.017 63 HE3 LYS 6 2HE LYS 6 -10.983 4.183 -1.593 64 HZ1 LYS 6 1HZ LYS 6 -11.818 6.405 -1.230 65 HZ2 LYS 6 2HZ LYS 6 -13.380 5.816 -0.968 66 HZ3 LYS 6 3HZ LYS 6 -12.670 5.674 -2.495 67 H ILE 7 H ILE 7 -13.515 -0.883 1.364 68 HA ILE 7 HA ILE 7 -11.497 0.223 2.904 69 HB ILE 7 HB ILE 7 -13.596 -1.793 3.583 70 HG12 ILE 7 1HG1 ILE 7 -13.930 0.394 5.149 71 HG13 ILE 7 2HG1 ILE 7 -13.164 1.118 3.754 72 HG21 ILE 7 1HG2 ILE 7 -11.412 -2.067 4.922 73 HG22 ILE 7 2HG2 ILE 7 -12.920 -1.896 5.819 74 HG23 ILE 7 3HG2 ILE 7 -11.831 -0.518 5.652 75 HD11 ILE 7 1HD1 ILE 7 -14.870 0.181 2.319 76 HD12 ILE 7 2HD1 ILE 7 -15.541 1.250 3.551 77 HD13 ILE 7 3HD1 ILE 7 -15.674 -0.499 3.735 78 H LYS 8 H LYS 8 -11.790 -3.067 1.641 79 HA LYS 8 HA LYS 8 -9.400 -3.937 3.004 80 HB2 LYS 8 1HB LYS 8 -10.683 -5.256 0.629 81 HB3 LYS 8 2HB LYS 8 -9.510 -5.964 1.717 82 HG2 LYS 8 1HG LYS 8 -11.493 -6.927 2.382 83 HG3 LYS 8 2HG LYS 8 -11.292 -5.604 3.532 84 HD2 LYS 8 1HD LYS 8 -12.947 -4.329 2.559 85 HD3 LYS 8 2HD LYS 8 -12.809 -5.166 1.005 86 HE2 LYS 8 1HE LYS 8 -14.873 -5.810 2.103 87 HE3 LYS 8 2HE LYS 8 -13.764 -7.179 2.062 88 HZ1 LYS 8 1HZ LYS 8 -14.278 -5.424 4.394 89 HZ2 LYS 8 2HZ LYS 8 -13.154 -6.684 4.361 90 HZ3 LYS 8 3HZ LYS 8 -14.802 -7.020 4.208 91 H ASN 9 H ASN 9 -10.210 -2.364 0.041 92 HA ASN 9 HA ASN 9 -8.056 -3.223 -1.510 93 HB2 ASN 9 1HB ASN 9 -9.598 -0.623 -1.609 94 HB3 ASN 9 2HB ASN 9 -8.331 -1.013 -2.759 95 HD21 ASN 9 1HD2 ASN 9 -10.609 -3.365 -1.493 96 HD22 ASN 9 2HD2 ASN 9 -11.493 -3.562 -2.963 97 H GLY 10 H GLY 10 -8.428 -0.148 0.228 98 HA2 GLY 10 1HA GLY 10 -5.714 0.624 -0.077 99 HA3 GLY 10 2HA GLY 10 -6.876 1.346 1.028 100 H ALA 11 H ALA 11 -7.363 -1.304 2.281 101 HA ALA 11 HA ALA 11 -5.303 -1.160 4.256 102 HB1 ALA 11 1HB ALA 11 -7.742 -1.721 4.662 103 HB2 ALA 11 2HB ALA 11 -6.556 -2.758 5.464 104 HB3 ALA 11 3HB ALA 11 -7.379 -3.323 4.010 105 H LYS 12 H LYS 12 -6.011 -3.158 1.493 106 HA LYS 12 HA LYS 12 -4.088 -5.187 2.213 107 HB2 LYS 12 1HB LYS 12 -5.825 -6.192 1.140 108 HB3 LYS 12 2HB LYS 12 -6.110 -4.819 0.088 109 HG2 LYS 12 1HG LYS 12 -3.669 -6.491 -0.288 110 HG3 LYS 12 2HG LYS 12 -5.233 -7.047 -0.894 111 HD2 LYS 12 1HD LYS 12 -5.437 -4.748 -1.941 112 HD3 LYS 12 2HD LYS 12 -3.724 -4.557 -1.614 113 HE2 LYS 12 1HE LYS 12 -3.257 -6.586 -2.920 114 HE3 LYS 12 2HE LYS 12 -4.974 -6.734 -3.284 115 HZ1 LYS 12 1HZ LYS 12 -3.717 -5.688 -5.079 116 HZ2 LYS 12 2HZ LYS 12 -3.276 -4.425 -4.049 117 HZ3 LYS 12 3HZ LYS 12 -4.902 -4.654 -4.458 118 H LYS 13 H LYS 13 -4.292 -2.496 -0.036 119 HA LYS 13 HA LYS 13 -1.665 -3.033 -1.082 120 HB2 LYS 13 1HB LYS 13 -1.965 -0.991 -2.362 121 HB3 LYS 13 2HB LYS 13 -3.398 -2.008 -2.513 122 HG2 LYS 13 1HG LYS 13 -4.696 -0.445 -1.648 123 HG3 LYS 13 2HG LYS 13 -3.639 -0.248 -0.262 124 HD2 LYS 13 1HD LYS 13 -2.207 1.246 -1.599 125 HD3 LYS 13 2HD LYS 13 -3.356 1.102 -2.940 126 HE2 LYS 13 1HE LYS 13 -5.104 2.077 -1.635 127 HE3 LYS 13 2HE LYS 13 -4.106 2.026 -0.179 128 HZ1 LYS 13 1HZ LYS 13 -2.614 3.636 -1.219 129 HZ2 LYS 13 2HZ LYS 13 -4.187 4.247 -1.109 130 HZ3 LYS 13 3HZ LYS 13 -3.600 3.689 -2.593 131 H ALA 14 H ALA 14 -2.917 -1.601 1.708 132 HA ALA 14 HA ALA 14 -0.855 0.316 2.129 133 HB1 ALA 14 1HB ALA 14 -2.363 -1.309 4.188 134 HB2 ALA 14 2HB ALA 14 -2.888 0.241 3.531 135 HB3 ALA 14 3HB ALA 14 -1.422 0.148 4.506 136 H LEU 15 H LEU 15 -1.100 -3.074 2.239 137 HA LEU 15 HA LEU 15 1.572 -3.443 3.346 138 HB2 LEU 15 1HB LEU 15 -0.215 -5.574 2.219 139 HB3 LEU 15 2HB LEU 15 0.994 -5.707 3.480 140 HG LEU 15 HG LEU 15 -1.510 -4.103 3.837 141 HD11 LEU 15 1HD1 LEU 15 -2.191 -6.364 3.325 142 HD12 LEU 15 2HD1 LEU 15 -2.425 -6.049 5.045 143 HD13 LEU 15 3HD1 LEU 15 -1.048 -7.010 4.502 144 HD21 LEU 15 1HD2 LEU 15 0.291 -3.611 5.391 145 HD22 LEU 15 2HD2 LEU 15 0.443 -5.322 5.788 146 HD23 LEU 15 3HD2 LEU 15 -1.023 -4.445 6.222 147 H GLY 16 H GLY 16 -0.220 -3.446 0.380 148 HA2 GLY 16 1HA GLY 16 1.752 -4.763 -1.233 149 HA3 GLY 16 2HA GLY 16 0.326 -3.895 -1.800 150 H VAL 17 H VAL 17 0.651 -1.444 -0.819 151 HA VAL 17 HA VAL 17 2.651 -0.391 -2.616 152 HB VAL 17 HB VAL 17 0.313 0.550 -1.994 153 HG11 VAL 17 1HG1 VAL 17 0.350 0.908 0.264 154 HG12 VAL 17 2HG1 VAL 17 0.623 2.528 -0.389 155 HG13 VAL 17 3HG1 VAL 17 1.979 1.589 0.237 156 HG21 VAL 17 1HG2 VAL 17 1.773 1.549 -3.653 157 HG22 VAL 17 2HG2 VAL 17 2.699 2.345 -2.380 158 HG23 VAL 17 3HG2 VAL 17 1.023 2.809 -2.671 159 H ALA 18 H ALA 18 2.397 -1.082 0.710 160 HA ALA 18 HA ALA 18 4.588 0.388 1.680 161 HB1 ALA 18 1HB ALA 18 3.682 -2.358 2.551 162 HB2 ALA 18 2HB ALA 18 3.059 -0.826 3.161 163 HB3 ALA 18 3HB ALA 18 4.737 -1.277 3.462 164 H SER 19 H SER 19 4.379 -2.382 -0.370 165 HA SER 19 HA SER 19 7.201 -3.044 -0.113 166 HB2 SER 19 1HB SER 19 5.125 -4.175 -1.998 167 HB3 SER 19 2HB SER 19 6.694 -4.882 -1.611 168 HG SER 19 HG SER 19 5.352 -4.479 0.667 169 H LYS 20 H LYS 20 5.575 -0.643 -1.418 170 HA LYS 20 HA LYS 20 7.097 -0.581 -3.905 171 HB2 LYS 20 1HB LYS 20 4.456 0.526 -3.113 172 HB3 LYS 20 2HB LYS 20 5.410 1.442 -4.263 173 HG2 LYS 20 1HG LYS 20 3.748 -0.058 -5.310 174 HG3 LYS 20 2HG LYS 20 5.404 -0.371 -5.823 175 HD2 LYS 20 1HD LYS 20 5.543 -2.304 -4.422 176 HD3 LYS 20 2HD LYS 20 4.002 -1.928 -3.650 177 HE2 LYS 20 1HE LYS 20 4.345 -2.573 -6.575 178 HE3 LYS 20 2HE LYS 20 3.859 -3.738 -5.347 179 HZ1 LYS 20 1HZ LYS 20 1.872 -2.514 -4.944 180 HZ2 LYS 20 2HZ LYS 20 1.994 -2.746 -6.615 181 HZ3 LYS 20 3HZ LYS 20 2.366 -1.243 -5.944 182 H VAL 21 H VAL 21 7.497 0.214 -0.911 183 HA VAL 21 HA VAL 21 8.689 2.827 -1.422 184 HB VAL 21 HB VAL 21 7.781 3.799 0.557 185 HG11 VAL 21 1HG1 VAL 21 5.568 2.416 -0.922 186 HG12 VAL 21 2HG1 VAL 21 6.361 3.917 -1.411 187 HG13 VAL 21 3HG1 VAL 21 5.400 3.868 0.068 188 HG21 VAL 21 1HG2 VAL 21 6.774 1.049 1.158 189 HG22 VAL 21 2HG2 VAL 21 5.982 2.469 1.849 190 HG23 VAL 21 3HG2 VAL 21 7.684 2.158 2.189 191 H ALA 22 H ALA 22 8.422 -0.025 0.626 192 HA ALA 22 HA ALA 22 10.580 0.533 2.335 193 HB1 ALA 22 1HB ALA 22 9.088 -1.904 1.531 194 HB2 ALA 22 2HB ALA 22 9.227 -1.141 3.117 195 HB3 ALA 22 3HB ALA 22 10.572 -2.083 2.467 196 HA PRO 23 HA PRO 23 13.348 -1.934 -0.732 197 HB2 PRO 23 1HB PRO 23 12.087 -1.810 -3.350 198 HB3 PRO 23 2HB PRO 23 12.641 -3.223 -2.453 199 HG2 PRO 23 1HG PRO 23 10.022 -2.672 -2.897 200 HG3 PRO 23 2HG PRO 23 10.601 -3.569 -1.481 201 HD2 PRO 23 1HD PRO 23 9.783 -0.704 -1.720 202 HD3 PRO 23 2HD PRO 23 9.475 -1.854 -0.408 203 H VAL 24 H VAL 24 11.479 0.827 -1.674 204 HA VAL 24 HA VAL 24 13.541 1.856 -3.409 205 HB VAL 24 HB VAL 24 12.182 3.689 -3.902 206 HG11 VAL 24 1HG1 VAL 24 10.568 1.219 -3.482 207 HG12 VAL 24 2HG1 VAL 24 11.325 1.805 -4.963 208 HG13 VAL 24 3HG1 VAL 24 9.917 2.638 -4.302 209 HG21 VAL 24 1HG2 VAL 24 10.598 3.094 -1.423 210 HG22 VAL 24 2HG2 VAL 24 10.093 4.233 -2.669 211 HG23 VAL 24 3HG2 VAL 24 11.576 4.523 -1.759 212 H VAL 25 H VAL 25 12.323 2.573 -0.153 213 HA VAL 25 HA VAL 25 14.160 4.671 0.377 214 HB VAL 25 HB VAL 25 12.757 2.801 2.298 215 HG11 VAL 25 1HG1 VAL 25 14.762 3.970 3.244 216 HG12 VAL 25 2HG1 VAL 25 13.243 4.399 4.031 217 HG13 VAL 25 3HG1 VAL 25 13.981 5.506 2.873 218 HG21 VAL 25 1HG2 VAL 25 11.694 4.656 0.592 219 HG22 VAL 25 2HG2 VAL 25 11.867 5.575 2.091 220 HG23 VAL 25 3HG2 VAL 25 10.929 4.079 2.075 221 H ALA 26 H ALA 26 14.329 1.279 0.401 222 HA ALA 26 HA ALA 26 16.771 1.020 1.813 223 HB1 ALA 26 1HB ALA 26 14.937 -0.652 1.215 224 HB2 ALA 26 2HB ALA 26 16.614 -1.211 1.257 225 HB3 ALA 26 3HB ALA 26 15.829 -0.873 -0.293 226 H ALA 27 H ALA 27 16.046 2.470 -1.068 227 HA ALA 27 HA ALA 27 18.821 2.175 -2.022 228 HB1 ALA 27 1HB ALA 27 16.324 2.893 -3.574 229 HB2 ALA 27 2HB ALA 27 17.246 1.391 -3.688 230 HB3 ALA 27 3HB ALA 27 17.962 2.906 -4.234 231 H PHE 28 H PHE 28 16.447 4.264 -0.738 232 HA PHE 28 HA PHE 28 17.799 6.699 -1.529 233 HB2 PHE 28 1HB PHE 28 15.286 6.057 -0.054 234 HB3 PHE 28 2HB PHE 28 15.959 7.670 0.059 235 HD1 PHE 28 HD1 PHE 28 14.171 5.292 -1.855 236 HD2 PHE 28 HD2 PHE 28 16.170 9.025 -2.060 237 HE1 PHE 28 HE1 PHE 28 13.045 5.758 -3.938 238 HE2 PHE 28 HE2 PHE 28 15.025 9.525 -4.186 239 HZ PHE 28 HZ PHE 28 13.447 7.881 -5.138 240 H ALA 29 H ALA 29 17.196 4.785 1.344 241 HA ALA 29 HA ALA 29 18.615 6.627 3.057 242 HB1 ALA 29 1HB ALA 29 17.148 4.052 3.467 243 HB2 ALA 29 2HB ALA 29 16.766 5.659 4.092 244 HB3 ALA 29 3HB ALA 29 18.132 4.757 4.751 245 H ARG 30 H ARG 30 19.029 3.207 2.046 246 HA ARG 30 HA ARG 30 21.903 3.615 2.365 247 HB2 ARG 30 1HB ARG 30 21.837 1.129 3.286 248 HB3 ARG 30 2HB ARG 30 21.676 2.523 4.338 249 HG2 ARG 30 1HG ARG 30 20.018 1.066 5.064 250 HG3 ARG 30 2HG ARG 30 19.158 2.233 4.062 251 HD2 ARG 30 1HD ARG 30 19.255 0.633 2.184 252 HD3 ARG 30 2HD ARG 30 20.033 -0.535 3.253 253 HE ARG 30 HE ARG 30 17.455 0.516 4.098 254 HH11 ARG 30 1HH1 ARG 30 19.230 -2.087 2.583 255 HH12 ARG 30 2HH1 ARG 30 17.982 -3.262 2.840 256 HH21 ARG 30 1HH2 ARG 30 15.795 -1.014 4.419 257 HH22 ARG 30 2HH2 ARG 30 16.017 -2.649 3.889 Start of MODEL 6 1 H1 LYS 1 1H LYS 1 -21.829 6.947 -3.853 2 H2 LYS 1 2H LYS 1 -21.256 8.037 -5.009 3 H3 LYS 1 3H LYS 1 -20.807 8.211 -3.391 4 HA LYS 1 HA LYS 1 -20.099 5.931 -5.132 5 HB2 LYS 1 1HB LYS 1 -18.548 8.357 -4.246 6 HB3 LYS 1 2HB LYS 1 -17.751 6.888 -4.788 7 HG2 LYS 1 1HG LYS 1 -18.927 7.073 -6.943 8 HG3 LYS 1 2HG LYS 1 -19.652 8.585 -6.392 9 HD2 LYS 1 1HD LYS 1 -17.711 9.006 -7.817 10 HD3 LYS 1 2HD LYS 1 -17.425 9.577 -6.174 11 HE2 LYS 1 1HE LYS 1 -15.468 8.427 -7.115 12 HE3 LYS 1 2HE LYS 1 -16.096 7.610 -5.688 13 HZ1 LYS 1 1HZ LYS 1 -15.501 6.084 -7.502 14 HZ2 LYS 1 2HZ LYS 1 -16.675 6.796 -8.483 15 HZ3 LYS 1 3HZ LYS 1 -17.134 5.971 -7.082 16 H ILE 2 H ILE 2 -20.772 4.465 -3.523 17 HA ILE 2 HA ILE 2 -19.166 4.488 -1.066 18 HB ILE 2 HB ILE 2 -21.780 3.094 -1.666 19 HG12 ILE 2 1HG1 ILE 2 -21.133 5.287 0.320 20 HG13 ILE 2 2HG1 ILE 2 -21.931 5.541 -1.229 21 HG21 ILE 2 1HG2 ILE 2 -20.146 1.828 -0.249 22 HG22 ILE 2 2HG2 ILE 2 -21.711 2.157 0.501 23 HG23 ILE 2 3HG2 ILE 2 -20.299 3.116 0.949 24 HD11 ILE 2 1HD1 ILE 2 -22.998 3.885 1.046 25 HD12 ILE 2 2HD1 ILE 2 -23.802 4.169 -0.496 26 HD13 ILE 2 3HD1 ILE 2 -23.520 5.511 0.611 27 H ASN 3 H ASN 3 -17.777 2.852 -0.707 28 HA ASN 3 HA ASN 3 -18.059 0.300 -1.988 29 HB2 ASN 3 1HB ASN 3 -17.003 1.506 -3.796 30 HB3 ASN 3 2HB ASN 3 -15.749 2.086 -2.713 31 HD21 ASN 3 1HD2 ASN 3 -14.187 1.194 -4.089 32 HD22 ASN 3 2HD2 ASN 3 -13.855 -0.507 -4.091 33 H LYS 4 H LYS 4 -17.786 -0.902 -0.313 34 HA LYS 4 HA LYS 4 -16.049 -0.055 1.863 35 HB2 LYS 4 1HB LYS 4 -18.011 -2.354 1.670 36 HB3 LYS 4 2HB LYS 4 -17.093 -1.939 3.110 37 HG2 LYS 4 1HG LYS 4 -19.139 -0.192 1.753 38 HG3 LYS 4 2HG LYS 4 -19.366 -1.097 3.251 39 HD2 LYS 4 1HD LYS 4 -17.571 0.214 4.295 40 HD3 LYS 4 2HD LYS 4 -17.378 1.125 2.800 41 HE2 LYS 4 1HE LYS 4 -19.644 1.967 2.990 42 HE3 LYS 4 2HE LYS 4 -19.895 1.016 4.452 43 HZ1 LYS 4 1HZ LYS 4 -19.381 3.296 5.003 44 HZ2 LYS 4 2HZ LYS 4 -17.945 3.228 4.119 45 HZ3 LYS 4 3HZ LYS 4 -18.121 2.293 5.516 46 H GLN 5 H GLN 5 -16.098 -2.258 -0.752 47 HA GLN 5 HA GLN 5 -14.223 -4.141 0.187 48 HB2 GLN 5 1HB GLN 5 -15.588 -4.448 -1.855 49 HB3 GLN 5 2HB GLN 5 -14.668 -3.167 -2.630 50 HG2 GLN 5 1HG GLN 5 -13.890 -5.336 -3.354 51 HG3 GLN 5 2HG GLN 5 -12.643 -4.481 -2.452 52 HE21 GLN 5 1HE2 GLN 5 -15.375 -6.059 -0.938 53 HE22 GLN 5 2HE2 GLN 5 -14.469 -7.328 -0.190 54 H LYS 6 H LYS 6 -13.960 -0.954 -1.208 55 HA LYS 6 HA LYS 6 -11.221 -0.833 -1.697 56 HB2 LYS 6 1HB LYS 6 -12.494 0.936 -2.533 57 HB3 LYS 6 2HB LYS 6 -13.247 1.239 -0.977 58 HG2 LYS 6 1HG LYS 6 -11.327 2.251 -0.115 59 HG3 LYS 6 2HG LYS 6 -10.307 1.621 -1.400 60 HD2 LYS 6 1HD LYS 6 -10.571 3.803 -2.078 61 HD3 LYS 6 2HD LYS 6 -11.899 3.017 -2.927 62 HE2 LYS 6 1HE LYS 6 -12.177 4.389 -0.264 63 HE3 LYS 6 2HE LYS 6 -12.499 5.171 -1.808 64 HZ1 LYS 6 1HZ LYS 6 -14.208 3.471 -2.222 65 HZ2 LYS 6 2HZ LYS 6 -14.536 4.401 -0.851 66 HZ3 LYS 6 3HZ LYS 6 -13.938 2.833 -0.677 67 H ILE 7 H ILE 7 -13.029 -0.432 1.286 68 HA ILE 7 HA ILE 7 -10.979 0.585 2.866 69 HB ILE 7 HB ILE 7 -13.366 -1.075 3.579 70 HG12 ILE 7 1HG1 ILE 7 -13.523 1.302 4.872 71 HG13 ILE 7 2HG1 ILE 7 -12.595 1.762 3.467 72 HG21 ILE 7 1HG2 ILE 7 -11.306 -1.420 5.107 73 HG22 ILE 7 2HG2 ILE 7 -12.857 -1.026 5.846 74 HG23 ILE 7 3HG2 ILE 7 -11.631 0.227 5.646 75 HD11 ILE 7 1HD1 ILE 7 -14.314 0.849 2.025 76 HD12 ILE 7 2HD1 ILE 7 -14.912 2.146 3.065 77 HD13 ILE 7 3HD1 ILE 7 -15.282 0.464 3.450 78 H LYS 8 H LYS 8 -11.577 -2.723 1.805 79 HA LYS 8 HA LYS 8 -9.429 -3.734 3.495 80 HB2 LYS 8 1HB LYS 8 -10.744 -5.210 1.237 81 HB3 LYS 8 2HB LYS 8 -9.781 -5.887 2.530 82 HG2 LYS 8 1HG LYS 8 -11.981 -6.453 3.056 83 HG3 LYS 8 2HG LYS 8 -11.595 -5.093 4.113 84 HD2 LYS 8 1HD LYS 8 -12.904 -3.620 2.911 85 HD3 LYS 8 2HD LYS 8 -12.861 -4.621 1.456 86 HE2 LYS 8 1HE LYS 8 -15.059 -4.735 2.441 87 HE3 LYS 8 2HE LYS 8 -14.252 -6.288 2.626 88 HZ1 LYS 8 1HZ LYS 8 -14.441 -4.223 4.747 89 HZ2 LYS 8 2HZ LYS 8 -13.768 -5.765 4.909 90 HZ3 LYS 8 3HZ LYS 8 -15.427 -5.591 4.639 91 H ASN 9 H ASN 9 -10.062 -2.859 0.185 92 HA ASN 9 HA ASN 9 -7.724 -3.951 -0.897 93 HB2 ASN 9 1HB ASN 9 -9.822 -2.111 -1.822 94 HB3 ASN 9 2HB ASN 9 -8.267 -1.933 -2.628 95 HD21 ASN 9 1HD2 ASN 9 -10.925 -2.983 -3.484 96 HD22 ASN 9 2HD2 ASN 9 -10.569 -4.541 -4.155 97 H GLY 10 H GLY 10 -8.490 -0.659 0.180 98 HA2 GLY 10 1HA GLY 10 -5.914 0.417 -0.325 99 HA3 GLY 10 2HA GLY 10 -7.116 1.089 0.771 100 H ALA 11 H ALA 11 -7.248 -1.452 2.259 101 HA ALA 11 HA ALA 11 -4.998 -1.056 4.012 102 HB1 ALA 11 1HB ALA 11 -7.381 -1.606 4.719 103 HB2 ALA 11 2HB ALA 11 -6.088 -2.534 5.492 104 HB3 ALA 11 3HB ALA 11 -7.038 -3.260 4.194 105 H LYS 12 H LYS 12 -5.898 -3.155 1.422 106 HA LYS 12 HA LYS 12 -3.918 -5.164 2.017 107 HB2 LYS 12 1HB LYS 12 -5.601 -6.255 0.990 108 HB3 LYS 12 2HB LYS 12 -6.140 -4.828 0.124 109 HG2 LYS 12 1HG LYS 12 -3.662 -6.264 -0.731 110 HG3 LYS 12 2HG LYS 12 -5.261 -6.860 -1.190 111 HD2 LYS 12 1HD LYS 12 -5.610 -4.326 -1.826 112 HD3 LYS 12 2HD LYS 12 -3.859 -4.362 -1.977 113 HE2 LYS 12 1HE LYS 12 -4.901 -4.823 -4.124 114 HE3 LYS 12 2HE LYS 12 -4.036 -6.242 -3.540 115 HZ1 LYS 12 1HZ LYS 12 -6.240 -6.760 -4.465 116 HZ2 LYS 12 2HZ LYS 12 -6.966 -5.823 -3.257 117 HZ3 LYS 12 3HZ LYS 12 -6.099 -7.218 -2.843 118 H LYS 13 H LYS 13 -4.236 -2.412 -0.131 119 HA LYS 13 HA LYS 13 -1.612 -2.855 -1.247 120 HB2 LYS 13 1HB LYS 13 -1.966 -0.778 -2.448 121 HB3 LYS 13 2HB LYS 13 -3.380 -1.816 -2.636 122 HG2 LYS 13 1HG LYS 13 -4.685 -0.254 -1.782 123 HG3 LYS 13 2HG LYS 13 -3.715 -0.193 -0.322 124 HD2 LYS 13 1HD LYS 13 -2.180 1.380 -1.458 125 HD3 LYS 13 2HD LYS 13 -3.271 1.382 -2.852 126 HE2 LYS 13 1HE LYS 13 -5.058 2.274 -1.531 127 HE3 LYS 13 2HE LYS 13 -4.114 2.089 -0.052 128 HZ1 LYS 13 1HZ LYS 13 -2.560 3.754 -0.914 129 HZ2 LYS 13 2HZ LYS 13 -4.124 4.381 -0.790 130 HZ3 LYS 13 3HZ LYS 13 -3.510 3.940 -2.301 131 H ALA 14 H ALA 14 -2.946 -1.519 1.563 132 HA ALA 14 HA ALA 14 -0.950 0.433 2.082 133 HB1 ALA 14 1HB ALA 14 -2.439 -1.315 4.052 134 HB2 ALA 14 2HB ALA 14 -2.981 0.257 3.463 135 HB3 ALA 14 3HB ALA 14 -1.525 0.140 4.452 136 H LEU 15 H LEU 15 -1.094 -2.966 2.082 137 HA LEU 15 HA LEU 15 1.574 -3.317 3.197 138 HB2 LEU 15 1HB LEU 15 -0.146 -5.431 1.938 139 HB3 LEU 15 2HB LEU 15 1.058 -5.604 3.199 140 HG LEU 15 HG LEU 15 -1.493 -4.089 3.627 141 HD11 LEU 15 1HD1 LEU 15 -2.091 -6.343 2.977 142 HD12 LEU 15 2HD1 LEU 15 -2.374 -6.113 4.703 143 HD13 LEU 15 3HD1 LEU 15 -0.958 -7.009 4.152 144 HD21 LEU 15 1HD2 LEU 15 0.293 -3.639 5.215 145 HD22 LEU 15 2HD2 LEU 15 0.476 -5.365 5.524 146 HD23 LEU 15 3HD2 LEU 15 -1.011 -4.539 5.990 147 H GLY 16 H GLY 16 -0.198 -3.360 0.186 148 HA2 GLY 16 1HA GLY 16 1.843 -4.515 -1.438 149 HA3 GLY 16 2HA GLY 16 0.419 -3.637 -2.000 150 H VAL 17 H VAL 17 0.701 -1.239 -0.850 151 HA VAL 17 HA VAL 17 2.706 -0.037 -2.532 152 HB VAL 17 HB VAL 17 0.378 0.859 -1.873 153 HG11 VAL 17 1HG1 VAL 17 0.325 0.986 0.403 154 HG12 VAL 17 2HG1 VAL 17 0.653 2.662 -0.056 155 HG13 VAL 17 3HG1 VAL 17 1.967 1.632 0.516 156 HG21 VAL 17 1HG2 VAL 17 1.898 2.025 -3.364 157 HG22 VAL 17 2HG2 VAL 17 2.773 2.682 -1.982 158 HG23 VAL 17 3HG2 VAL 17 1.107 3.174 -2.284 159 H ALA 18 H ALA 18 2.396 -0.883 0.788 160 HA ALA 18 HA ALA 18 4.606 0.508 1.823 161 HB1 ALA 18 1HB ALA 18 3.646 -2.245 2.609 162 HB2 ALA 18 2HB ALA 18 3.030 -0.722 3.250 163 HB3 ALA 18 3HB ALA 18 4.698 -1.201 3.564 164 H SER 19 H SER 19 4.331 -2.170 -0.294 165 HA SER 19 HA SER 19 7.112 -2.977 -0.041 166 HB2 SER 19 1HB SER 19 5.234 -4.641 -0.313 167 HB3 SER 19 2HB SER 19 4.959 -3.967 -1.918 168 HG SER 19 HG SER 19 6.739 -5.818 -1.153 169 H LYS 20 H LYS 20 5.539 -0.508 -1.330 170 HA LYS 20 HA LYS 20 7.130 -0.424 -3.780 171 HB2 LYS 20 1HB LYS 20 4.432 0.575 -3.092 172 HB3 LYS 20 2HB LYS 20 5.406 1.607 -4.123 173 HG2 LYS 20 1HG LYS 20 3.893 0.122 -5.376 174 HG3 LYS 20 2HG LYS 20 5.589 -0.115 -5.781 175 HD2 LYS 20 1HD LYS 20 5.678 -2.116 -4.445 176 HD3 LYS 20 2HD LYS 20 4.035 -1.848 -3.856 177 HE2 LYS 20 1HE LYS 20 3.204 -2.064 -6.164 178 HE3 LYS 20 2HE LYS 20 4.848 -2.376 -6.713 179 HZ1 LYS 20 1HZ LYS 20 4.890 -4.355 -5.316 180 HZ2 LYS 20 2HZ LYS 20 3.630 -4.428 -6.439 181 HZ3 LYS 20 3HZ LYS 20 3.299 -4.060 -4.823 182 H VAL 21 H VAL 21 7.408 0.345 -0.773 183 HA VAL 21 HA VAL 21 8.637 2.955 -1.236 184 HB VAL 21 HB VAL 21 7.724 3.899 0.759 185 HG11 VAL 21 1HG1 VAL 21 5.523 2.562 -0.778 186 HG12 VAL 21 2HG1 VAL 21 6.321 4.076 -1.214 187 HG13 VAL 21 3HG1 VAL 21 5.341 3.985 0.252 188 HG21 VAL 21 1HG2 VAL 21 6.613 1.163 1.273 189 HG22 VAL 21 2HG2 VAL 21 5.941 2.602 2.047 190 HG23 VAL 21 3HG2 VAL 21 7.628 2.160 2.320 191 H ALA 22 H ALA 22 8.330 0.081 0.785 192 HA ALA 22 HA ALA 22 10.499 0.609 2.494 193 HB1 ALA 22 1HB ALA 22 8.927 -1.778 1.719 194 HB2 ALA 22 2HB ALA 22 9.173 -1.060 3.312 195 HB3 ALA 22 3HB ALA 22 10.448 -2.034 2.576 196 HA PRO 23 HA PRO 23 13.206 -1.944 -0.533 197 HB2 PRO 23 1HB PRO 23 11.909 -1.872 -3.143 198 HB3 PRO 23 2HB PRO 23 12.482 -3.265 -2.223 199 HG2 PRO 23 1HG PRO 23 9.857 -2.751 -2.620 200 HG3 PRO 23 2HG PRO 23 10.469 -3.565 -1.168 201 HD2 PRO 23 1HD PRO 23 9.660 -0.709 -1.549 202 HD3 PRO 23 2HD PRO 23 9.337 -1.793 -0.186 203 H VAL 24 H VAL 24 11.355 0.802 -1.582 204 HA VAL 24 HA VAL 24 13.417 1.769 -3.333 205 HB VAL 24 HB VAL 24 12.102 3.637 -3.825 206 HG11 VAL 24 1HG1 VAL 24 10.414 1.234 -3.328 207 HG12 VAL 24 2HG1 VAL 24 11.146 1.773 -4.838 208 HG13 VAL 24 3HG1 VAL 24 9.790 2.664 -4.144 209 HG21 VAL 24 1HG2 VAL 24 10.559 3.125 -1.301 210 HG22 VAL 24 2HG2 VAL 24 10.065 4.268 -2.548 211 HG23 VAL 24 3HG2 VAL 24 11.576 4.515 -1.675 212 H VAL 25 H VAL 25 12.279 2.562 -0.069 213 HA VAL 25 HA VAL 25 14.183 4.607 0.392 214 HB VAL 25 HB VAL 25 12.710 2.824 2.337 215 HG11 VAL 25 1HG1 VAL 25 14.814 3.848 3.257 216 HG12 VAL 25 2HG1 VAL 25 13.337 4.343 4.083 217 HG13 VAL 25 3HG1 VAL 25 14.114 5.433 2.933 218 HG21 VAL 25 1HG2 VAL 25 11.675 4.633 0.664 219 HG22 VAL 25 2HG2 VAL 25 12.096 5.699 2.006 220 HG23 VAL 25 3HG2 VAL 25 11.014 4.331 2.272 221 H ALA 26 H ALA 26 14.261 1.213 0.470 222 HA ALA 26 HA ALA 26 16.738 0.923 1.826 223 HB1 ALA 26 1HB ALA 26 14.824 -0.707 1.339 224 HB2 ALA 26 2HB ALA 26 16.486 -1.317 1.372 225 HB3 ALA 26 3HB ALA 26 15.680 -1.018 -0.175 226 H ALA 27 H ALA 27 15.992 2.387 -0.999 227 HA ALA 27 HA ALA 27 18.722 2.005 -2.042 228 HB1 ALA 27 1HB ALA 27 16.203 2.769 -3.534 229 HB2 ALA 27 2HB ALA 27 17.078 1.237 -3.650 230 HB3 ALA 27 3HB ALA 27 17.825 2.723 -4.235 231 H PHE 28 H PHE 28 16.339 4.184 -0.833 232 HA PHE 28 HA PHE 28 17.740 6.574 -1.657 233 HB2 PHE 28 1HB PHE 28 15.232 6.013 -0.134 234 HB3 PHE 28 2HB PHE 28 15.923 7.621 -0.113 235 HD1 PHE 28 HD1 PHE 28 13.991 5.231 -1.821 236 HD2 PHE 28 HD2 PHE 28 16.210 8.802 -2.365 237 HE1 PHE 28 HE1 PHE 28 12.852 5.596 -3.915 238 HE2 PHE 28 HE2 PHE 28 15.051 9.199 -4.504 239 HZ PHE 28 HZ PHE 28 13.355 7.586 -5.292 240 H ALA 29 H ALA 29 17.293 4.623 1.183 241 HA ALA 29 HA ALA 29 18.789 6.444 2.873 242 HB1 ALA 29 1HB ALA 29 17.323 3.868 3.312 243 HB2 ALA 29 2HB ALA 29 17.000 5.459 4.006 244 HB3 ALA 29 3HB ALA 29 18.397 4.529 4.547 245 H ARG 30 H ARG 30 19.062 2.971 2.012 246 HA ARG 30 HA ARG 30 21.965 3.351 2.045 247 HB2 ARG 30 1HB ARG 30 21.913 0.878 3.009 248 HB3 ARG 30 2HB ARG 30 21.866 2.293 4.045 249 HG2 ARG 30 1HG ARG 30 20.242 0.827 4.895 250 HG3 ARG 30 2HG ARG 30 19.347 2.073 4.025 251 HD2 ARG 30 1HD ARG 30 19.136 0.575 2.103 252 HD3 ARG 30 2HD ARG 30 20.033 -0.666 2.972 253 HE ARG 30 HE ARG 30 17.566 0.340 4.175 254 HH11 ARG 30 1HH1 ARG 30 19.261 -2.218 2.493 255 HH12 ARG 30 2HH1 ARG 30 18.051 -3.412 2.826 256 HH21 ARG 30 1HH2 ARG 30 15.980 -1.229 4.630 257 HH22 ARG 30 2HH2 ARG 30 16.183 -2.854 4.054 Start of MODEL 7 1 H1 LYS 1 1H LYS 1 -22.423 8.564 -6.338 2 H2 LYS 1 2H LYS 1 -21.097 8.958 -5.366 3 H3 LYS 1 3H LYS 1 -22.575 8.560 -4.655 4 HA LYS 1 HA LYS 1 -22.433 6.323 -5.422 5 HB2 LYS 1 1HB LYS 1 -20.462 5.520 -6.611 6 HB3 LYS 1 2HB LYS 1 -21.235 6.805 -7.524 7 HG2 LYS 1 1HG LYS 1 -19.554 8.386 -6.735 8 HG3 LYS 1 2HG LYS 1 -18.781 7.102 -5.805 9 HD2 LYS 1 1HD LYS 1 -18.395 5.858 -7.902 10 HD3 LYS 1 2HD LYS 1 -19.100 7.200 -8.804 11 HE2 LYS 1 1HE LYS 1 -17.347 8.683 -7.942 12 HE3 LYS 1 2HE LYS 1 -16.639 7.329 -7.063 13 HZ1 LYS 1 1HZ LYS 1 -16.920 7.526 -10.012 14 HZ2 LYS 1 2HZ LYS 1 -16.256 6.216 -9.175 15 HZ3 LYS 1 3HZ LYS 1 -15.486 7.717 -9.137 16 H ILE 2 H ILE 2 -21.354 4.717 -4.165 17 HA ILE 2 HA ILE 2 -19.855 5.872 -1.928 18 HB ILE 2 HB ILE 2 -21.448 3.315 -2.137 19 HG12 ILE 2 1HG1 ILE 2 -22.822 5.324 -1.901 20 HG13 ILE 2 2HG1 ILE 2 -22.886 4.354 -0.434 21 HG21 ILE 2 1HG2 ILE 2 -19.411 3.059 -0.770 22 HG22 ILE 2 2HG2 ILE 2 -20.903 2.855 0.149 23 HG23 ILE 2 3HG2 ILE 2 -19.985 4.357 0.276 24 HD11 ILE 2 1HD1 ILE 2 -21.252 5.872 0.602 25 HD12 ILE 2 2HD1 ILE 2 -22.740 6.686 0.125 26 HD13 ILE 2 3HD1 ILE 2 -21.285 6.865 -0.855 27 H ASN 3 H ASN 3 -17.799 5.295 -1.584 28 HA ASN 3 HA ASN 3 -16.723 3.051 -3.152 29 HB2 ASN 3 1HB ASN 3 -15.809 5.285 -3.727 30 HB3 ASN 3 2HB ASN 3 -15.229 5.449 -2.077 31 HD21 ASN 3 1HD2 ASN 3 -13.676 5.551 -4.457 32 HD22 ASN 3 2HD2 ASN 3 -12.542 4.250 -4.391 33 H LYS 4 H LYS 4 -16.252 1.357 -2.007 34 HA LYS 4 HA LYS 4 -15.072 1.690 0.681 35 HB2 LYS 4 1HB LYS 4 -16.833 -0.585 -0.295 36 HB3 LYS 4 2HB LYS 4 -15.999 -0.554 1.249 37 HG2 LYS 4 1HG LYS 4 -18.208 1.283 0.354 38 HG3 LYS 4 2HG LYS 4 -18.306 0.016 1.578 39 HD2 LYS 4 1HD LYS 4 -16.600 1.243 2.901 40 HD3 LYS 4 2HD LYS 4 -16.662 2.537 1.704 41 HE2 LYS 4 1HE LYS 4 -18.054 3.144 3.561 42 HE3 LYS 4 2HE LYS 4 -19.082 2.788 2.175 43 HZ1 LYS 4 1HZ LYS 4 -19.482 0.580 3.116 44 HZ2 LYS 4 2HZ LYS 4 -19.984 1.807 4.163 45 HZ3 LYS 4 3HZ LYS 4 -18.544 0.977 4.467 46 H GLN 5 H GLN 5 -14.805 0.462 -2.486 47 HA GLN 5 HA GLN 5 -13.015 -1.659 -2.140 48 HB2 GLN 5 1HB GLN 5 -14.156 -1.123 -4.268 49 HB3 GLN 5 2HB GLN 5 -13.165 0.319 -4.407 50 HG2 GLN 5 1HG GLN 5 -12.321 -1.447 -5.832 51 HG3 GLN 5 2HG GLN 5 -11.160 -1.046 -4.570 52 HE21 GLN 5 1HE2 GLN 5 -10.746 -2.531 -2.939 53 HE22 GLN 5 2HE2 GLN 5 -11.221 -4.191 -3.058 54 H LYS 6 H LYS 6 -12.540 1.824 -2.350 55 HA LYS 6 HA LYS 6 -9.717 1.801 -2.385 56 HB2 LYS 6 1HB LYS 6 -10.706 3.844 -2.960 57 HB3 LYS 6 2HB LYS 6 -11.748 3.841 -1.541 58 HG2 LYS 6 1HG LYS 6 -9.965 4.366 -0.105 59 HG3 LYS 6 2HG LYS 6 -8.763 4.028 -1.343 60 HD2 LYS 6 1HD LYS 6 -9.591 5.926 -2.640 61 HD3 LYS 6 2HD LYS 6 -10.763 6.278 -1.368 62 HE2 LYS 6 1HE LYS 6 -8.920 6.590 0.224 63 HE3 LYS 6 2HE LYS 6 -7.762 6.287 -1.072 64 HZ1 LYS 6 1HZ LYS 6 -9.716 8.521 -1.013 65 HZ2 LYS 6 2HZ LYS 6 -8.576 8.231 -2.228 66 HZ3 LYS 6 3HZ LYS 6 -8.062 8.652 -0.675 67 H ILE 7 H ILE 7 -12.056 1.893 0.257 68 HA ILE 7 HA ILE 7 -10.216 2.115 2.350 69 HB ILE 7 HB ILE 7 -12.943 0.848 2.313 70 HG12 ILE 7 1HG1 ILE 7 -13.042 3.032 3.907 71 HG13 ILE 7 2HG1 ILE 7 -11.796 3.514 2.786 72 HG21 ILE 7 1HG2 ILE 7 -11.362 -0.079 4.074 73 HG22 ILE 7 2HG2 ILE 7 -12.869 0.623 4.662 74 HG23 ILE 7 3HG2 ILE 7 -11.364 1.536 4.778 75 HD11 ILE 7 1HD1 ILE 7 -13.307 3.025 0.932 76 HD12 ILE 7 2HD1 ILE 7 -13.852 4.332 1.983 77 HD13 ILE 7 3HD1 ILE 7 -14.591 2.737 2.108 78 H LYS 8 H LYS 8 -11.562 -0.702 0.690 79 HA LYS 8 HA LYS 8 -10.157 -2.657 2.114 80 HB2 LYS 8 1HB LYS 8 -12.090 -2.887 0.375 81 HB3 LYS 8 2HB LYS 8 -10.779 -2.902 -0.800 82 HG2 LYS 8 1HG LYS 8 -11.508 -5.159 -0.186 83 HG3 LYS 8 2HG LYS 8 -9.817 -4.856 0.230 84 HD2 LYS 8 1HD LYS 8 -10.541 -4.307 2.526 85 HD3 LYS 8 2HD LYS 8 -12.180 -4.778 2.091 86 HE2 LYS 8 1HE LYS 8 -11.431 -7.036 1.605 87 HE3 LYS 8 2HE LYS 8 -9.766 -6.579 1.962 88 HZ1 LYS 8 1HZ LYS 8 -10.349 -6.194 4.237 89 HZ2 LYS 8 2HZ LYS 8 -10.885 -7.738 3.809 90 HZ3 LYS 8 3HZ LYS 8 -11.990 -6.462 3.928 91 H ASN 9 H ASN 9 -9.385 -0.795 -0.765 92 HA ASN 9 HA ASN 9 -7.056 -2.258 -1.368 93 HB2 ASN 9 1HB ASN 9 -8.131 0.371 -2.312 94 HB3 ASN 9 2HB ASN 9 -6.512 -0.150 -2.773 95 HD21 ASN 9 1HD2 ASN 9 -8.989 0.231 -4.353 96 HD22 ASN 9 2HD2 ASN 9 -9.222 -1.279 -5.162 97 H GLY 10 H GLY 10 -7.547 0.839 0.298 98 HA2 GLY 10 1HA GLY 10 -4.796 1.351 0.746 99 HA3 GLY 10 2HA GLY 10 -6.130 2.010 1.691 100 H ALA 11 H ALA 11 -7.037 -0.793 2.211 101 HA ALA 11 HA ALA 11 -5.338 -1.312 4.501 102 HB1 ALA 11 1HB ALA 11 -7.913 -1.319 4.458 103 HB2 ALA 11 2HB ALA 11 -7.089 -2.623 5.324 104 HB3 ALA 11 3HB ALA 11 -7.750 -2.916 3.715 105 H LYS 12 H LYS 12 -6.017 -2.592 1.339 106 HA LYS 12 HA LYS 12 -4.742 -5.137 1.837 107 HB2 LYS 12 1HB LYS 12 -6.544 -5.333 0.376 108 HB3 LYS 12 2HB LYS 12 -6.161 -3.845 -0.472 109 HG2 LYS 12 1HG LYS 12 -4.236 -6.087 -0.707 110 HG3 LYS 12 2HG LYS 12 -5.784 -6.238 -1.544 111 HD2 LYS 12 1HD LYS 12 -5.322 -3.943 -2.512 112 HD3 LYS 12 2HD LYS 12 -3.701 -4.086 -1.866 113 HE2 LYS 12 1HE LYS 12 -4.955 -6.047 -3.783 114 HE3 LYS 12 2HE LYS 12 -3.876 -4.737 -4.258 115 HZ1 LYS 12 1HZ LYS 12 -2.721 -6.864 -4.044 116 HZ2 LYS 12 2HZ LYS 12 -3.153 -6.951 -2.411 117 HZ3 LYS 12 3HZ LYS 12 -2.127 -5.722 -2.950 118 H LYS 13 H LYS 13 -4.063 -2.223 -0.109 119 HA LYS 13 HA LYS 13 -1.583 -3.342 -1.006 120 HB2 LYS 13 1HB LYS 13 -1.318 -1.369 -2.294 121 HB3 LYS 13 2HB LYS 13 -3.018 -1.818 -2.397 122 HG2 LYS 13 1HG LYS 13 -3.609 -0.146 -0.769 123 HG3 LYS 13 2HG LYS 13 -1.910 0.257 -0.521 124 HD2 LYS 13 1HD LYS 13 -1.734 1.012 -2.793 125 HD3 LYS 13 2HD LYS 13 -3.413 0.562 -3.112 126 HE2 LYS 13 1HE LYS 13 -3.972 2.107 -1.146 127 HE3 LYS 13 2HE LYS 13 -2.343 2.744 -1.354 128 HZ1 LYS 13 1HZ LYS 13 -2.903 3.271 -3.668 129 HZ2 LYS 13 2HZ LYS 13 -3.907 4.083 -2.579 130 HZ3 LYS 13 3HZ LYS 13 -4.486 2.732 -3.412 131 H ALA 14 H ALA 14 -2.576 -1.772 1.810 132 HA ALA 14 HA ALA 14 -0.246 -0.227 2.313 133 HB1 ALA 14 1HB ALA 14 -2.067 -1.638 4.266 134 HB2 ALA 14 2HB ALA 14 -2.301 0.004 3.658 135 HB3 ALA 14 3HB ALA 14 -0.912 -0.370 4.683 136 H LEU 15 H LEU 15 -0.898 -3.477 2.110 137 HA LEU 15 HA LEU 15 1.628 -4.288 3.336 138 HB2 LEU 15 1HB LEU 15 -0.331 -6.125 2.011 139 HB3 LEU 15 2HB LEU 15 0.731 -6.437 3.370 140 HG LEU 15 HG LEU 15 -1.553 -4.518 3.595 141 HD11 LEU 15 1HD1 LEU 15 -2.655 -6.489 2.915 142 HD12 LEU 15 2HD1 LEU 15 -2.777 -6.457 4.676 143 HD13 LEU 15 3HD1 LEU 15 -1.599 -7.511 3.894 144 HD21 LEU 15 1HD2 LEU 15 0.104 -4.397 5.342 145 HD22 LEU 15 2HD2 LEU 15 0.019 -6.140 5.592 146 HD23 LEU 15 3HD2 LEU 15 -1.368 -5.126 5.984 147 H GLY 16 H GLY 16 -0.044 -3.981 0.287 148 HA2 GLY 16 1HA GLY 16 1.943 -5.434 -1.233 149 HA3 GLY 16 2HA GLY 16 0.530 -4.596 -1.864 150 H VAL 17 H VAL 17 0.770 -2.112 -1.108 151 HA VAL 17 HA VAL 17 2.844 -1.159 -2.848 152 HB VAL 17 HB VAL 17 0.427 -0.270 -2.486 153 HG11 VAL 17 1HG1 VAL 17 0.280 0.399 -0.319 154 HG12 VAL 17 2HG1 VAL 17 0.613 1.926 -1.139 155 HG13 VAL 17 3HG1 VAL 17 1.910 1.076 -0.298 156 HG21 VAL 17 1HG2 VAL 17 1.923 0.572 -4.180 157 HG22 VAL 17 2HG2 VAL 17 2.779 1.539 -2.979 158 HG23 VAL 17 3HG2 VAL 17 1.107 1.922 -3.390 159 H ALA 18 H ALA 18 2.396 -1.588 0.497 160 HA ALA 18 HA ALA 18 4.426 0.101 1.459 161 HB1 ALA 18 1HB ALA 18 3.733 -2.653 2.478 162 HB2 ALA 18 2HB ALA 18 2.919 -1.159 2.940 163 HB3 ALA 18 3HB ALA 18 4.615 -1.405 3.357 164 H SER 19 H SER 19 4.523 -2.751 -0.437 165 HA SER 19 HA SER 19 7.370 -3.193 0.007 166 HB2 SER 19 1HB SER 19 5.398 -4.683 -1.740 167 HB3 SER 19 2HB SER 19 7.040 -5.200 -1.348 168 HG SER 19 HG SER 19 4.763 -5.089 0.315 169 H LYS 20 H LYS 20 5.658 -1.049 -1.533 170 HA LYS 20 HA LYS 20 7.314 -1.039 -3.939 171 HB2 LYS 20 1HB LYS 20 4.504 -0.192 -3.431 172 HB3 LYS 20 2HB LYS 20 5.433 0.693 -4.624 173 HG2 LYS 20 1HG LYS 20 4.042 -1.083 -5.607 174 HG3 LYS 20 2HG LYS 20 5.760 -1.298 -5.931 175 HD2 LYS 20 1HD LYS 20 5.916 -2.993 -4.224 176 HD3 LYS 20 2HD LYS 20 4.241 -2.721 -3.744 177 HE2 LYS 20 1HE LYS 20 3.497 -3.453 -5.958 178 HE3 LYS 20 2HE LYS 20 5.173 -3.719 -6.431 179 HZ1 LYS 20 1HZ LYS 20 5.366 -5.409 -4.746 180 HZ2 LYS 20 2HZ LYS 20 4.060 -5.768 -5.753 181 HZ3 LYS 20 3HZ LYS 20 3.788 -5.125 -4.213 182 H VAL 21 H VAL 21 7.378 0.011 -1.022 183 HA VAL 21 HA VAL 21 8.381 2.678 -1.644 184 HB VAL 21 HB VAL 21 7.269 3.693 0.213 185 HG11 VAL 21 1HG1 VAL 21 5.258 2.040 -1.284 186 HG12 VAL 21 2HG1 VAL 21 5.969 3.555 -1.848 187 HG13 VAL 21 3HG1 VAL 21 4.931 3.544 -0.422 188 HG21 VAL 21 1HG2 VAL 21 6.443 0.906 0.918 189 HG22 VAL 21 2HG2 VAL 21 5.510 2.297 1.481 190 HG23 VAL 21 3HG2 VAL 21 7.208 2.137 1.929 191 H ALA 22 H ALA 22 8.205 -0.062 0.551 192 HA ALA 22 HA ALA 22 10.224 0.731 2.330 193 HB1 ALA 22 1HB ALA 22 8.937 -1.839 1.598 194 HB2 ALA 22 2HB ALA 22 8.961 -0.996 3.147 195 HB3 ALA 22 3HB ALA 22 10.389 -1.875 2.596 196 HA PRO 23 HA PRO 23 13.306 -1.708 -0.424 197 HB2 PRO 23 1HB PRO 23 12.193 -1.831 -3.107 198 HB3 PRO 23 2HB PRO 23 12.789 -3.147 -2.093 199 HG2 PRO 23 1HG PRO 23 10.167 -2.810 -2.706 200 HG3 PRO 23 2HG PRO 23 10.725 -3.570 -1.205 201 HD2 PRO 23 1HD PRO 23 9.732 -0.791 -1.676 202 HD3 PRO 23 2HD PRO 23 9.429 -1.876 -0.309 203 H VAL 24 H VAL 24 11.308 0.846 -1.668 204 HA VAL 24 HA VAL 24 13.389 1.915 -3.337 205 HB VAL 24 HB VAL 24 11.959 3.664 -3.952 206 HG11 VAL 24 1HG1 VAL 24 10.469 1.117 -3.520 207 HG12 VAL 24 2HG1 VAL 24 11.259 1.696 -4.986 208 HG13 VAL 24 3HG1 VAL 24 9.778 2.469 -4.416 209 HG21 VAL 24 1HG2 VAL 24 10.286 3.049 -1.536 210 HG22 VAL 24 2HG2 VAL 24 9.798 4.140 -2.833 211 HG23 VAL 24 3HG2 VAL 24 11.214 4.515 -1.851 212 H VAL 25 H VAL 25 12.018 2.686 -0.158 213 HA VAL 25 HA VAL 25 13.782 4.858 0.366 214 HB VAL 25 HB VAL 25 12.333 3.036 2.299 215 HG11 VAL 25 1HG1 VAL 25 14.268 4.277 3.284 216 HG12 VAL 25 2HG1 VAL 25 12.710 4.715 3.983 217 HG13 VAL 25 3HG1 VAL 25 13.483 5.784 2.811 218 HG21 VAL 25 1HG2 VAL 25 11.305 4.806 0.480 219 HG22 VAL 25 2HG2 VAL 25 11.392 5.776 1.952 220 HG23 VAL 25 3HG2 VAL 25 10.489 4.259 1.947 221 H ALA 26 H ALA 26 14.002 1.461 0.553 222 HA ALA 26 HA ALA 26 16.432 1.374 2.016 223 HB1 ALA 26 1HB ALA 26 14.665 -0.403 1.478 224 HB2 ALA 26 2HB ALA 26 16.360 -0.884 1.628 225 HB3 ALA 26 3HB ALA 26 15.628 -0.691 0.029 226 H ALA 27 H ALA 27 15.700 2.602 -0.977 227 HA ALA 27 HA ALA 27 18.492 2.311 -1.878 228 HB1 ALA 27 1HB ALA 27 16.036 3.189 -3.425 229 HB2 ALA 27 2HB ALA 27 16.839 1.618 -3.542 230 HB3 ALA 27 3HB ALA 27 17.675 3.077 -4.074 231 H PHE 28 H PHE 28 16.004 4.497 -0.849 232 HA PHE 28 HA PHE 28 17.424 6.907 -1.503 233 HB2 PHE 28 1HB PHE 28 14.875 6.263 -0.084 234 HB3 PHE 28 2HB PHE 28 15.532 7.883 0.008 235 HD1 PHE 28 HD1 PHE 28 13.689 5.517 -1.828 236 HD2 PHE 28 HD2 PHE 28 15.894 9.118 -2.206 237 HE1 PHE 28 HE1 PHE 28 12.617 5.928 -3.955 238 HE2 PHE 28 HE2 PHE 28 14.808 9.560 -4.374 239 HZ PHE 28 HZ PHE 28 13.156 7.958 -5.262 240 H ALA 29 H ALA 29 16.986 4.834 1.237 241 HA ALA 29 HA ALA 29 18.402 6.592 3.040 242 HB1 ALA 29 1HB ALA 29 16.981 3.990 3.252 243 HB2 ALA 29 2HB ALA 29 16.798 5.458 4.219 244 HB3 ALA 29 3HB ALA 29 18.182 4.396 4.482 245 H ARG 30 H ARG 30 18.889 3.333 1.641 246 HA ARG 30 HA ARG 30 21.636 3.230 2.418 247 HB2 ARG 30 1HB ARG 30 20.040 1.612 0.448 248 HB3 ARG 30 2HB ARG 30 21.734 1.310 0.804 249 HG2 ARG 30 1HG ARG 30 21.077 1.019 3.206 250 HG3 ARG 30 2HG ARG 30 19.394 1.072 2.671 251 HD2 ARG 30 1HD ARG 30 21.440 -0.820 1.571 252 HD3 ARG 30 2HD ARG 30 20.366 -1.233 2.908 253 HE ARG 30 HE ARG 30 18.761 -0.338 0.831 254 HH11 ARG 30 1HH1 ARG 30 21.036 -2.952 1.368 255 HH12 ARG 30 2HH1 ARG 30 20.235 -4.041 0.284 256 HH21 ARG 30 1HH2 ARG 30 17.721 -1.780 -0.621 257 HH22 ARG 30 2HH2 ARG 30 18.369 -3.371 -0.858 Start of MODEL 8 1 H1 LYS 1 1H LYS 1 -22.889 7.244 2.037 2 H2 LYS 1 2H LYS 1 -22.312 6.243 3.273 3 H3 LYS 1 3H LYS 1 -23.958 6.256 2.897 4 HA LYS 1 HA LYS 1 -22.886 4.286 2.029 5 HB2 LYS 1 1HB LYS 1 -23.716 6.254 -0.114 6 HB3 LYS 1 2HB LYS 1 -23.615 4.514 -0.322 7 HG2 LYS 1 1HG LYS 1 -25.363 4.248 1.407 8 HG3 LYS 1 2HG LYS 1 -25.506 6.005 1.483 9 HD2 LYS 1 1HD LYS 1 -25.985 4.293 -0.957 10 HD3 LYS 1 2HD LYS 1 -27.231 5.035 0.047 11 HE2 LYS 1 1HE LYS 1 -26.398 7.251 -0.543 12 HE3 LYS 1 2HE LYS 1 -25.124 6.524 -1.518 13 HZ1 LYS 1 1HZ LYS 1 -26.805 5.579 -2.962 14 HZ2 LYS 1 2HZ LYS 1 -26.992 7.257 -2.873 15 HZ3 LYS 1 3HZ LYS 1 -28.037 6.246 -2.015 16 H ILE 2 H ILE 2 -20.573 4.796 2.667 17 HA ILE 2 HA ILE 2 -18.869 5.919 0.668 18 HB ILE 2 HB ILE 2 -18.510 5.861 3.216 19 HG12 ILE 2 1HG1 ILE 2 -16.237 5.005 1.422 20 HG13 ILE 2 2HG1 ILE 2 -16.875 6.640 1.551 21 HG21 ILE 2 1HG2 ILE 2 -17.498 3.106 2.533 22 HG22 ILE 2 2HG2 ILE 2 -18.868 3.490 3.574 23 HG23 ILE 2 3HG2 ILE 2 -17.235 3.943 4.063 24 HD11 ILE 2 1HD1 ILE 2 -15.575 5.076 3.765 25 HD12 ILE 2 2HD1 ILE 2 -16.218 6.712 3.900 26 HD13 ILE 2 3HD1 ILE 2 -14.839 6.390 2.849 27 H ASN 3 H ASN 3 -17.242 4.748 -0.502 28 HA ASN 3 HA ASN 3 -18.119 2.217 -1.512 29 HB2 ASN 3 1HB ASN 3 -17.010 3.735 -3.022 30 HB3 ASN 3 2HB ASN 3 -15.590 3.805 -1.986 31 HD21 ASN 3 1HD2 ASN 3 -14.219 3.117 -3.605 32 HD22 ASN 3 2HD2 ASN 3 -14.212 1.492 -4.199 33 H LYS 4 H LYS 4 -17.768 0.341 -0.602 34 HA LYS 4 HA LYS 4 -15.989 0.211 1.693 35 HB2 LYS 4 1HB LYS 4 -17.979 -1.776 0.583 36 HB3 LYS 4 2HB LYS 4 -17.030 -2.026 2.039 37 HG2 LYS 4 1HG LYS 4 -19.037 0.176 1.621 38 HG3 LYS 4 2HG LYS 4 -19.313 -1.311 2.528 39 HD2 LYS 4 1HD LYS 4 -17.363 -0.644 3.984 40 HD3 LYS 4 2HD LYS 4 -17.406 0.923 3.175 41 HE2 LYS 4 1HE LYS 4 -18.634 1.050 5.248 42 HE3 LYS 4 2HE LYS 4 -19.742 1.199 3.886 43 HZ1 LYS 4 1HZ LYS 4 -20.370 -1.102 4.165 44 HZ2 LYS 4 2HZ LYS 4 -20.598 -0.271 5.620 45 HZ3 LYS 4 3HZ LYS 4 -19.265 -1.288 5.430 46 H GLN 5 H GLN 5 -16.072 -0.719 -1.587 47 HA GLN 5 HA GLN 5 -14.284 -2.899 -1.507 48 HB2 GLN 5 1HB GLN 5 -15.733 -2.182 -3.455 49 HB3 GLN 5 2HB GLN 5 -14.563 -0.897 -3.734 50 HG2 GLN 5 1HG GLN 5 -14.157 -2.799 -5.192 51 HG3 GLN 5 2HG GLN 5 -12.819 -2.520 -4.079 52 HE21 GLN 5 1HE2 GLN 5 -12.076 -4.624 -4.219 53 HE22 GLN 5 2HE2 GLN 5 -12.908 -5.953 -3.492 54 H LYS 6 H LYS 6 -13.882 0.576 -1.716 55 HA LYS 6 HA LYS 6 -11.118 0.742 -2.055 56 HB2 LYS 6 1HB LYS 6 -12.253 2.745 -2.286 57 HB3 LYS 6 2HB LYS 6 -13.171 2.502 -0.809 58 HG2 LYS 6 1HG LYS 6 -11.308 3.025 0.542 59 HG3 LYS 6 2HG LYS 6 -10.210 2.974 -0.832 60 HD2 LYS 6 1HD LYS 6 -11.302 4.908 -1.793 61 HD3 LYS 6 2HD LYS 6 -12.445 4.959 -0.450 62 HE2 LYS 6 1HE LYS 6 -10.619 5.363 1.109 63 HE3 LYS 6 2HE LYS 6 -9.453 5.259 -0.206 64 HZ1 LYS 6 1HZ LYS 6 -9.987 7.550 0.420 65 HZ2 LYS 6 2HZ LYS 6 -11.600 7.295 -0.012 66 HZ3 LYS 6 3HZ LYS 6 -10.390 7.222 -1.188 67 H ILE 7 H ILE 7 -13.063 0.391 0.876 68 HA ILE 7 HA ILE 7 -11.082 0.636 2.775 69 HB ILE 7 HB ILE 7 -13.614 -0.944 2.779 70 HG12 ILE 7 1HG1 ILE 7 -13.601 0.793 4.881 71 HG13 ILE 7 2HG1 ILE 7 -12.591 1.638 3.731 72 HG21 ILE 7 1HG2 ILE 7 -11.684 -2.044 4.118 73 HG22 ILE 7 2HG2 ILE 7 -13.249 -1.820 4.895 74 HG23 ILE 7 3HG2 ILE 7 -11.926 -0.705 5.237 75 HD11 ILE 7 1HD1 ILE 7 -14.374 1.412 2.062 76 HD12 ILE 7 2HD1 ILE 7 -14.800 2.403 3.459 77 HD13 ILE 7 3HD1 ILE 7 -15.409 0.753 3.331 78 H LYS 8 H LYS 8 -11.919 -2.240 0.843 79 HA LYS 8 HA LYS 8 -9.924 -3.821 2.205 80 HB2 LYS 8 1HB LYS 8 -11.093 -4.468 -0.474 81 HB3 LYS 8 2HB LYS 8 -10.351 -5.567 0.665 82 HG2 LYS 8 1HG LYS 8 -12.402 -6.091 1.302 83 HG3 LYS 8 2HG LYS 8 -12.454 -4.510 2.091 84 HD2 LYS 8 1HD LYS 8 -13.588 -3.529 0.334 85 HD3 LYS 8 2HD LYS 8 -13.107 -4.786 -0.812 86 HE2 LYS 8 1HE LYS 8 -14.524 -6.388 0.504 87 HE3 LYS 8 2HE LYS 8 -15.100 -5.017 1.448 88 HZ1 LYS 8 1HZ LYS 8 -15.997 -4.044 -0.561 89 HZ2 LYS 8 2HZ LYS 8 -16.621 -5.598 -0.338 90 HZ3 LYS 8 3HZ LYS 8 -15.411 -5.334 -1.488 91 H ASN 9 H ASN 9 -10.165 -1.979 -0.766 92 HA ASN 9 HA ASN 9 -7.834 -2.964 -1.940 93 HB2 ASN 9 1HB ASN 9 -9.504 -0.542 -2.379 94 HB3 ASN 9 2HB ASN 9 -7.889 -0.558 -3.078 95 HD21 ASN 9 1HD2 ASN 9 -11.057 -1.920 -3.161 96 HD22 ASN 9 2HD2 ASN 9 -10.840 -2.829 -4.621 97 H GLY 10 H GLY 10 -8.380 -0.041 -0.002 98 HA2 GLY 10 1HA GLY 10 -5.668 0.777 0.044 99 HA3 GLY 10 2HA GLY 10 -6.914 1.277 1.178 100 H ALA 11 H ALA 11 -7.496 -1.479 1.966 101 HA ALA 11 HA ALA 11 -5.489 -1.796 3.981 102 HB1 ALA 11 1HB ALA 11 -7.930 -2.295 4.278 103 HB2 ALA 11 2HB ALA 11 -6.839 -3.581 4.802 104 HB3 ALA 11 3HB ALA 11 -7.692 -3.723 3.266 105 H LYS 12 H LYS 12 -6.199 -3.199 0.873 106 HA LYS 12 HA LYS 12 -4.416 -5.421 1.152 107 HB2 LYS 12 1HB LYS 12 -6.220 -5.831 -0.256 108 HB3 LYS 12 2HB LYS 12 -6.062 -4.284 -1.071 109 HG2 LYS 12 1HG LYS 12 -3.889 -6.305 -1.332 110 HG3 LYS 12 2HG LYS 12 -5.380 -6.489 -2.264 111 HD2 LYS 12 1HD LYS 12 -5.086 -4.143 -3.014 112 HD3 LYS 12 2HD LYS 12 -3.510 -4.137 -2.248 113 HE2 LYS 12 1HE LYS 12 -2.718 -5.872 -3.703 114 HE3 LYS 12 2HE LYS 12 -4.332 -6.117 -4.367 115 HZ1 LYS 12 1HZ LYS 12 -2.962 -4.840 -5.876 116 HZ2 LYS 12 2HZ LYS 12 -2.678 -3.672 -4.689 117 HZ3 LYS 12 3HZ LYS 12 -4.236 -3.888 -5.305 118 H LYS 13 H LYS 13 -4.289 -2.247 -0.360 119 HA LYS 13 HA LYS 13 -1.606 -2.649 -1.296 120 HB2 LYS 13 1HB LYS 13 -1.714 -0.382 -2.058 121 HB3 LYS 13 2HB LYS 13 -3.233 -1.173 -2.471 122 HG2 LYS 13 1HG LYS 13 -4.296 0.491 -1.459 123 HG3 LYS 13 2HG LYS 13 -3.657 -0.118 0.059 124 HD2 LYS 13 1HD LYS 13 -1.652 1.297 -0.261 125 HD3 LYS 13 2HD LYS 13 -2.420 1.995 -1.691 126 HE2 LYS 13 1HE LYS 13 -3.802 1.974 0.969 127 HE3 LYS 13 2HE LYS 13 -2.644 3.243 0.556 128 HZ1 LYS 13 1HZ LYS 13 -4.966 3.841 0.068 129 HZ2 LYS 13 2HZ LYS 13 -5.054 2.573 -1.047 130 HZ3 LYS 13 3HZ LYS 13 -3.992 3.859 -1.315 131 H ALA 14 H ALA 14 -3.067 -1.779 1.658 132 HA ALA 14 HA ALA 14 -0.977 -0.166 2.684 133 HB1 ALA 14 1HB ALA 14 -2.761 -2.109 4.164 134 HB2 ALA 14 2HB ALA 14 -3.118 -0.407 3.863 135 HB3 ALA 14 3HB ALA 14 -1.771 -0.855 4.909 136 H LEU 15 H LEU 15 -1.336 -3.489 2.029 137 HA LEU 15 HA LEU 15 1.175 -4.252 3.269 138 HB2 LEU 15 1HB LEU 15 -0.406 -5.914 1.343 139 HB3 LEU 15 2HB LEU 15 0.567 -6.428 2.702 140 HG LEU 15 HG LEU 15 -1.976 -4.892 3.057 141 HD11 LEU 15 1HD1 LEU 15 -2.528 -6.908 1.836 142 HD12 LEU 15 2HD1 LEU 15 -3.069 -7.054 3.509 143 HD13 LEU 15 3HD1 LEU 15 -1.606 -7.887 2.979 144 HD21 LEU 15 1HD2 LEU 15 -0.470 -4.912 4.965 145 HD22 LEU 15 2HD2 LEU 15 -0.381 -6.671 4.900 146 HD23 LEU 15 3HD2 LEU 15 -1.905 -5.880 5.302 147 H GLY 16 H GLY 16 -0.262 -3.598 0.150 148 HA2 GLY 16 1HA GLY 16 1.893 -4.512 -1.463 149 HA3 GLY 16 2HA GLY 16 0.551 -3.481 -1.977 150 H VAL 17 H VAL 17 0.725 -1.318 -0.581 151 HA VAL 17 HA VAL 17 2.811 0.061 -1.930 152 HB VAL 17 HB VAL 17 0.451 0.843 -1.203 153 HG11 VAL 17 1HG1 VAL 17 0.489 0.674 1.112 154 HG12 VAL 17 2HG1 VAL 17 0.597 2.407 0.778 155 HG13 VAL 17 3HG1 VAL 17 2.043 1.505 1.237 156 HG21 VAL 17 1HG2 VAL 17 1.959 2.165 -2.564 157 HG22 VAL 17 2HG2 VAL 17 2.827 2.693 -1.121 158 HG23 VAL 17 3HG2 VAL 17 1.154 3.192 -1.376 159 H ALA 18 H ALA 18 2.408 -1.134 1.286 160 HA ALA 18 HA ALA 18 4.561 0.180 2.535 161 HB1 ALA 18 1HB ALA 18 3.547 -2.615 3.057 162 HB2 ALA 18 2HB ALA 18 2.899 -1.137 3.770 163 HB3 ALA 18 3HB ALA 18 4.543 -1.648 4.146 164 H SER 19 H SER 19 4.454 -2.283 0.162 165 HA SER 19 HA SER 19 7.286 -2.948 0.511 166 HB2 SER 19 1HB SER 19 5.202 -4.145 -1.317 167 HB3 SER 19 2HB SER 19 6.834 -4.763 -1.067 168 HG SER 19 HG SER 19 4.636 -4.770 0.711 169 H LYS 20 H LYS 20 5.648 -0.564 -0.740 170 HA LYS 20 HA LYS 20 7.223 -0.390 -3.202 171 HB2 LYS 20 1HB LYS 20 4.498 0.545 -2.493 172 HB3 LYS 20 2HB LYS 20 5.440 1.548 -3.575 173 HG2 LYS 20 1HG LYS 20 3.911 -0.007 -4.736 174 HG3 LYS 20 2HG LYS 20 5.603 -0.218 -5.183 175 HD2 LYS 20 1HD LYS 20 5.784 -2.175 -3.825 176 HD3 LYS 20 2HD LYS 20 4.192 -1.909 -3.119 177 HE2 LYS 20 1HE LYS 20 4.765 -2.528 -6.016 178 HE3 LYS 20 2HE LYS 20 4.143 -3.666 -4.822 179 HZ1 LYS 20 1HZ LYS 20 2.362 -2.791 -6.163 180 HZ2 LYS 20 2HZ LYS 20 2.779 -1.205 -5.766 181 HZ3 LYS 20 3HZ LYS 20 2.186 -2.246 -4.575 182 H VAL 21 H VAL 21 7.509 0.330 -0.205 183 HA VAL 21 HA VAL 21 8.531 3.038 -0.639 184 HB VAL 21 HB VAL 21 7.700 3.793 1.491 185 HG11 VAL 21 1HG1 VAL 21 5.475 2.407 0.031 186 HG12 VAL 21 2HG1 VAL 21 6.178 3.964 -0.421 187 HG13 VAL 21 3HG1 VAL 21 5.312 3.795 1.108 188 HG21 VAL 21 1HG2 VAL 21 6.766 0.963 1.852 189 HG22 VAL 21 2HG2 VAL 21 6.095 2.303 2.787 190 HG23 VAL 21 3HG2 VAL 21 7.812 1.921 2.906 191 H ALA 22 H ALA 22 8.602 0.047 1.176 192 HA ALA 22 HA ALA 22 10.860 0.705 2.760 193 HB1 ALA 22 1HB ALA 22 9.334 -1.762 2.121 194 HB2 ALA 22 2HB ALA 22 9.609 -0.984 3.681 195 HB3 ALA 22 3HB ALA 22 10.901 -1.912 2.917 196 HA PRO 23 HA PRO 23 13.380 -1.742 -0.501 197 HB2 PRO 23 1HB PRO 23 11.869 -1.804 -2.980 198 HB3 PRO 23 2HB PRO 23 12.548 -3.150 -2.063 199 HG2 PRO 23 1HG PRO 23 9.883 -2.682 -2.279 200 HG3 PRO 23 2HG PRO 23 10.617 -3.488 -0.881 201 HD2 PRO 23 1HD PRO 23 9.713 -0.653 -1.196 202 HD3 PRO 23 2HD PRO 23 9.547 -1.737 0.196 203 H VAL 24 H VAL 24 11.335 0.927 -1.354 204 HA VAL 24 HA VAL 24 13.165 1.952 -3.311 205 HB VAL 24 HB VAL 24 11.788 3.841 -3.586 206 HG11 VAL 24 1HG1 VAL 24 10.136 1.418 -3.005 207 HG12 VAL 24 2HG1 VAL 24 10.874 1.865 -4.541 208 HG13 VAL 24 3HG1 VAL 24 9.548 2.826 -3.885 209 HG21 VAL 24 1HG2 VAL 24 10.463 3.129 -0.981 210 HG22 VAL 24 2HG2 VAL 24 9.857 4.341 -2.111 211 HG23 VAL 24 3HG2 VAL 24 11.425 4.565 -1.333 212 H VAL 25 H VAL 25 12.377 2.729 0.066 213 HA VAL 25 HA VAL 25 14.346 4.746 0.365 214 HB VAL 25 HB VAL 25 13.080 2.926 2.427 215 HG11 VAL 25 1HG1 VAL 25 15.263 3.946 3.134 216 HG12 VAL 25 2HG1 VAL 25 13.879 4.428 4.117 217 HG13 VAL 25 3HG1 VAL 25 14.531 5.533 2.907 218 HG21 VAL 25 1HG2 VAL 25 11.898 4.806 0.893 219 HG22 VAL 25 2HG2 VAL 25 12.398 5.787 2.275 220 HG23 VAL 25 3HG2 VAL 25 11.358 4.381 2.519 221 H ALA 26 H ALA 26 14.396 1.350 0.360 222 HA ALA 26 HA ALA 26 17.003 1.019 1.441 223 HB1 ALA 26 1HB ALA 26 14.998 -0.593 1.078 224 HB2 ALA 26 2HB ALA 26 16.659 -1.206 1.038 225 HB3 ALA 26 3HB ALA 26 15.788 -0.905 -0.472 226 H ALA 27 H ALA 27 15.949 2.500 -1.279 227 HA ALA 27 HA ALA 27 18.534 2.090 -2.631 228 HB1 ALA 27 1HB ALA 27 15.892 2.969 -3.821 229 HB2 ALA 27 2HB ALA 27 16.663 1.392 -4.032 230 HB3 ALA 27 3HB ALA 27 17.421 2.838 -4.698 231 H PHE 28 H PHE 28 16.371 4.287 -1.091 232 HA PHE 28 HA PHE 28 17.699 6.662 -2.068 233 HB2 PHE 28 1HB PHE 28 15.379 6.129 -0.264 234 HB3 PHE 28 2HB PHE 28 16.099 7.723 -0.306 235 HD1 PHE 28 HD1 PHE 28 13.916 5.413 -1.789 236 HD2 PHE 28 HD2 PHE 28 16.173 8.913 -2.576 237 HE1 PHE 28 HE1 PHE 28 12.550 5.831 -3.733 238 HE2 PHE 28 HE2 PHE 28 14.783 9.365 -4.562 239 HZ PHE 28 HZ PHE 28 12.954 7.818 -5.151 240 H ALA 29 H ALA 29 17.428 4.807 0.892 241 HA ALA 29 HA ALA 29 19.257 6.546 2.319 242 HB1 ALA 29 1HB ALA 29 17.690 4.087 3.018 243 HB2 ALA 29 2HB ALA 29 17.512 5.724 3.658 244 HB3 ALA 29 3HB ALA 29 18.911 4.748 4.108 245 H ARG 30 H ARG 30 19.106 3.202 1.169 246 HA ARG 30 HA ARG 30 21.935 2.817 1.635 247 HB2 ARG 30 1HB ARG 30 19.810 1.032 0.501 248 HB3 ARG 30 2HB ARG 30 21.493 0.560 0.719 249 HG2 ARG 30 1HG ARG 30 21.315 0.908 3.103 250 HG3 ARG 30 2HG ARG 30 19.650 1.467 2.917 251 HD2 ARG 30 1HD ARG 30 20.017 -1.021 1.598 252 HD3 ARG 30 2HD ARG 30 20.548 -1.160 3.276 253 HE ARG 30 HE ARG 30 18.068 0.170 3.180 254 HH11 ARG 30 1HH1 ARG 30 19.434 -3.011 2.657 255 HH12 ARG 30 2HH1 ARG 30 17.991 -3.850 3.133 256 HH21 ARG 30 1HH2 ARG 30 16.165 -0.935 3.822 257 HH22 ARG 30 2HH2 ARG 30 16.133 -2.671 3.795 Start of MODEL 9 1 H1 LYS 1 1H LYS 1 -25.756 1.583 -1.251 2 H2 LYS 1 2H LYS 1 -26.465 1.495 0.275 3 H3 LYS 1 3H LYS 1 -26.950 0.426 -0.942 4 HA LYS 1 HA LYS 1 -25.482 -0.567 0.746 5 HB2 LYS 1 1HB LYS 1 -24.215 -1.853 -0.785 6 HB3 LYS 1 2HB LYS 1 -25.675 -1.396 -1.642 7 HG2 LYS 1 1HG LYS 1 -23.029 0.010 -1.946 8 HG3 LYS 1 2HG LYS 1 -23.587 -1.291 -2.993 9 HD2 LYS 1 1HD LYS 1 -25.577 0.104 -3.555 10 HD3 LYS 1 2HD LYS 1 -24.858 1.419 -2.625 11 HE2 LYS 1 1HE LYS 1 -24.363 1.739 -4.958 12 HE3 LYS 1 2HE LYS 1 -22.877 1.332 -4.100 13 HZ1 LYS 1 1HZ LYS 1 -22.989 0.116 -6.150 14 HZ2 LYS 1 2HZ LYS 1 -24.513 -0.503 -5.766 15 HZ3 LYS 1 3HZ LYS 1 -23.159 -0.974 -4.868 16 H ILE 2 H ILE 2 -23.353 -0.779 1.559 17 HA ILE 2 HA ILE 2 -21.786 1.699 1.406 18 HB ILE 2 HB ILE 2 -21.944 -0.433 3.541 19 HG12 ILE 2 1HG1 ILE 2 -23.786 1.194 3.539 20 HG13 ILE 2 2HG1 ILE 2 -22.763 1.385 4.959 21 HG21 ILE 2 1HG2 ILE 2 -19.645 0.282 3.292 22 HG22 ILE 2 2HG2 ILE 2 -20.324 0.880 4.807 23 HG23 ILE 2 3HG2 ILE 2 -20.134 1.969 3.434 24 HD11 ILE 2 1HD1 ILE 2 -23.378 3.538 4.086 25 HD12 ILE 2 2HD1 ILE 2 -22.752 3.111 2.496 26 HD13 ILE 2 3HD1 ILE 2 -21.649 3.285 3.862 27 H ASN 3 H ASN 3 -19.882 1.618 0.389 28 HA ASN 3 HA ASN 3 -18.932 -0.939 -0.588 29 HB2 ASN 3 1HB ASN 3 -18.988 0.998 -2.093 30 HB3 ASN 3 2HB ASN 3 -17.838 1.838 -1.058 31 HD21 ASN 3 1HD2 ASN 3 -16.350 2.020 -2.734 32 HD22 ASN 3 2HD2 ASN 3 -15.449 0.661 -3.313 33 H LYS 4 H LYS 4 -17.683 -2.113 0.602 34 HA LYS 4 HA LYS 4 -15.609 -0.853 2.285 35 HB2 LYS 4 1HB LYS 4 -16.814 -3.632 2.411 36 HB3 LYS 4 2HB LYS 4 -15.500 -3.064 3.431 37 HG2 LYS 4 1HG LYS 4 -18.300 -1.963 3.370 38 HG3 LYS 4 2HG LYS 4 -17.613 -3.008 4.614 39 HD2 LYS 4 1HD LYS 4 -15.878 -1.241 5.010 40 HD3 LYS 4 2HD LYS 4 -16.794 -0.201 3.916 41 HE2 LYS 4 1HE LYS 4 -17.344 0.259 6.252 42 HE3 LYS 4 2HE LYS 4 -18.738 -0.359 5.368 43 HZ1 LYS 4 1HZ LYS 4 -18.307 -2.548 6.324 44 HZ2 LYS 4 2HZ LYS 4 -18.565 -1.394 7.529 45 HZ3 LYS 4 3HZ LYS 4 -16.997 -1.927 7.192 46 H GLN 5 H GLN 5 -16.087 -2.298 -0.652 47 HA GLN 5 HA GLN 5 -13.930 -4.068 -0.895 48 HB2 GLN 5 1HB GLN 5 -15.763 -3.792 -2.570 49 HB3 GLN 5 2HB GLN 5 -15.050 -2.256 -3.039 50 HG2 GLN 5 1HG GLN 5 -14.432 -3.998 -4.599 51 HG3 GLN 5 2HG GLN 5 -13.014 -3.408 -3.735 52 HE21 GLN 5 1HE2 GLN 5 -15.199 -6.060 -4.178 53 HE22 GLN 5 2HE2 GLN 5 -14.260 -7.242 -3.337 54 H LYS 6 H LYS 6 -14.162 -0.620 -1.687 55 HA LYS 6 HA LYS 6 -11.493 -0.168 -2.358 56 HB2 LYS 6 1HB LYS 6 -12.887 1.554 -2.917 57 HB3 LYS 6 2HB LYS 6 -13.700 1.523 -1.366 58 HG2 LYS 6 1HG LYS 6 -11.866 2.581 -0.292 59 HG3 LYS 6 2HG LYS 6 -10.856 2.401 -1.724 60 HD2 LYS 6 1HD LYS 6 -12.388 3.864 -2.948 61 HD3 LYS 6 2HD LYS 6 -13.322 4.107 -1.471 62 HE2 LYS 6 1HE LYS 6 -11.357 5.052 -0.375 63 HE3 LYS 6 2HE LYS 6 -10.410 4.796 -1.838 64 HZ1 LYS 6 1HZ LYS 6 -12.750 6.600 -1.570 65 HZ2 LYS 6 2HZ LYS 6 -11.910 6.314 -3.006 66 HZ3 LYS 6 3HZ LYS 6 -11.132 7.074 -1.711 67 H ILE 7 H ILE 7 -13.082 -0.177 0.790 68 HA ILE 7 HA ILE 7 -10.894 0.735 2.298 69 HB ILE 7 HB ILE 7 -13.238 -0.979 3.052 70 HG12 ILE 7 1HG1 ILE 7 -13.337 1.262 4.534 71 HG13 ILE 7 2HG1 ILE 7 -12.437 1.859 3.168 72 HG21 ILE 7 1HG2 ILE 7 -11.088 -1.471 4.372 73 HG22 ILE 7 2HG2 ILE 7 -12.544 -1.074 5.284 74 HG23 ILE 7 3HG2 ILE 7 -11.293 0.146 5.043 75 HD11 ILE 7 1HD1 ILE 7 -14.241 1.015 1.695 76 HD12 ILE 7 2HD1 ILE 7 -14.679 2.354 2.755 77 HD13 ILE 7 3HD1 ILE 7 -15.184 0.715 3.154 78 H LYS 8 H LYS 8 -11.867 -2.507 1.271 79 HA LYS 8 HA LYS 8 -9.724 -3.883 2.397 80 HB2 LYS 8 1HB LYS 8 -11.870 -4.821 1.318 81 HB3 LYS 8 2HB LYS 8 -11.004 -4.627 -0.201 82 HG2 LYS 8 1HG LYS 8 -10.868 -6.907 0.695 83 HG3 LYS 8 2HG LYS 8 -9.285 -6.140 0.519 84 HD2 LYS 8 1HD LYS 8 -9.407 -5.501 2.906 85 HD3 LYS 8 2HD LYS 8 -10.889 -6.442 3.047 86 HE2 LYS 8 1HE LYS 8 -8.156 -7.485 2.302 87 HE3 LYS 8 2HE LYS 8 -8.997 -7.751 3.827 88 HZ1 LYS 8 1HZ LYS 8 -10.670 -9.012 2.678 89 HZ2 LYS 8 2HZ LYS 8 -9.150 -9.650 2.303 90 HZ3 LYS 8 3HZ LYS 8 -9.963 -8.684 1.181 91 H ASN 9 H ASN 9 -10.128 -2.313 -0.721 92 HA ASN 9 HA ASN 9 -7.758 -3.108 -1.895 93 HB2 ASN 9 1HB ASN 9 -9.348 -0.562 -2.138 94 HB3 ASN 9 2HB ASN 9 -7.843 -0.758 -3.016 95 HD21 ASN 9 1HD2 ASN 9 -11.074 -2.000 -2.595 96 HD22 ASN 9 2HD2 ASN 9 -11.234 -2.652 -4.175 97 H GLY 10 H GLY 10 -8.368 -0.138 -0.054 98 HA2 GLY 10 1HA GLY 10 -5.700 0.728 0.047 99 HA3 GLY 10 2HA GLY 10 -6.974 1.217 1.156 100 H ALA 11 H ALA 11 -7.515 -1.402 2.180 101 HA ALA 11 HA ALA 11 -5.524 -1.506 4.209 102 HB1 ALA 11 1HB ALA 11 -7.983 -2.072 4.447 103 HB2 ALA 11 2HB ALA 11 -6.846 -3.189 5.210 104 HB3 ALA 11 3HB ALA 11 -7.602 -3.615 3.674 105 H LYS 12 H LYS 12 -6.152 -3.329 1.282 106 HA LYS 12 HA LYS 12 -4.275 -5.404 1.952 107 HB2 LYS 12 1HB LYS 12 -6.075 -6.232 0.787 108 HB3 LYS 12 2HB LYS 12 -6.163 -4.840 -0.277 109 HG2 LYS 12 1HG LYS 12 -3.832 -6.685 -0.471 110 HG3 LYS 12 2HG LYS 12 -5.385 -7.148 -1.177 111 HD2 LYS 12 1HD LYS 12 -5.367 -4.824 -2.216 112 HD3 LYS 12 2HD LYS 12 -3.662 -4.784 -1.809 113 HE2 LYS 12 1HE LYS 12 -3.905 -5.537 -4.092 114 HE3 LYS 12 2HE LYS 12 -3.344 -6.878 -3.096 115 HZ1 LYS 12 1HZ LYS 12 -5.115 -7.499 -4.663 116 HZ2 LYS 12 2HZ LYS 12 -6.174 -6.440 -3.876 117 HZ3 LYS 12 3HZ LYS 12 -5.549 -7.777 -3.054 118 H LYS 13 H LYS 13 -4.332 -2.546 -0.097 119 HA LYS 13 HA LYS 13 -1.701 -3.070 -1.133 120 HB2 LYS 13 1HB LYS 13 -1.900 -0.968 -2.266 121 HB3 LYS 13 2HB LYS 13 -3.421 -1.839 -2.457 122 HG2 LYS 13 1HG LYS 13 -4.440 -0.005 -1.717 123 HG3 LYS 13 2HG LYS 13 -3.779 -0.392 -0.140 124 HD2 LYS 13 1HD LYS 13 -1.808 0.969 -0.624 125 HD3 LYS 13 2HD LYS 13 -2.494 1.393 -2.196 126 HE2 LYS 13 1HE LYS 13 -4.014 1.863 0.341 127 HE3 LYS 13 2HE LYS 13 -2.814 3.030 -0.222 128 HZ1 LYS 13 1HZ LYS 13 -5.055 3.588 -0.969 129 HZ2 LYS 13 2HZ LYS 13 -5.175 2.110 -1.780 130 HZ3 LYS 13 3HZ LYS 13 -4.042 3.260 -2.280 131 H ALA 14 H ALA 14 -3.033 -1.709 1.690 132 HA ALA 14 HA ALA 14 -0.969 0.101 2.337 133 HB1 ALA 14 1HB ALA 14 -2.513 -1.692 4.223 134 HB2 ALA 14 2HB ALA 14 -3.030 -0.094 3.681 135 HB3 ALA 14 3HB ALA 14 -1.585 -0.262 4.679 136 H LEU 15 H LEU 15 -1.195 -3.291 2.193 137 HA LEU 15 HA LEU 15 1.400 -3.783 3.393 138 HB2 LEU 15 1HB LEU 15 -0.281 -5.731 1.852 139 HB3 LEU 15 2HB LEU 15 0.838 -6.044 3.158 140 HG LEU 15 HG LEU 15 -1.712 -4.522 3.549 141 HD11 LEU 15 1HD1 LEU 15 -2.314 -6.707 2.734 142 HD12 LEU 15 2HD1 LEU 15 -2.634 -6.628 4.467 143 HD13 LEU 15 3HD1 LEU 15 -1.208 -7.478 3.871 144 HD21 LEU 15 1HD2 LEU 15 -0.029 -4.182 5.262 145 HD22 LEU 15 2HD2 LEU 15 0.154 -5.924 5.459 146 HD23 LEU 15 3HD2 LEU 15 -1.362 -5.141 5.903 147 H GLY 16 H GLY 16 -0.198 -3.696 0.271 148 HA2 GLY 16 1HA GLY 16 1.954 -4.736 -1.273 149 HA3 GLY 16 2HA GLY 16 0.546 -3.862 -1.880 150 H VAL 17 H VAL 17 0.684 -1.504 -0.744 151 HA VAL 17 HA VAL 17 2.694 -0.212 -2.324 152 HB VAL 17 HB VAL 17 0.313 0.563 -1.652 153 HG11 VAL 17 1HG1 VAL 17 0.352 0.666 0.652 154 HG12 VAL 17 2HG1 VAL 17 0.456 2.356 0.145 155 HG13 VAL 17 3HG1 VAL 17 1.905 1.507 0.685 156 HG21 VAL 17 1HG2 VAL 17 1.747 1.784 -3.177 157 HG22 VAL 17 2HG2 VAL 17 2.621 2.490 -1.818 158 HG23 VAL 17 3HG2 VAL 17 0.929 2.906 -2.090 159 H ALA 18 H ALA 18 2.394 -1.130 0.971 160 HA ALA 18 HA ALA 18 4.534 0.365 2.054 161 HB1 ALA 18 1HB ALA 18 3.625 -2.398 2.862 162 HB2 ALA 18 2HB ALA 18 2.935 -0.885 3.447 163 HB3 ALA 18 3HB ALA 18 4.606 -1.298 3.829 164 H SER 19 H SER 19 4.445 -2.230 -0.155 165 HA SER 19 HA SER 19 7.289 -2.815 0.205 166 HB2 SER 19 1HB SER 19 5.563 -4.680 -0.016 167 HB3 SER 19 2HB SER 19 5.346 -4.146 -1.684 168 HG SER 19 HG SER 19 7.925 -4.710 -0.713 169 H LYS 20 H LYS 20 5.566 -0.530 -1.128 170 HA LYS 20 HA LYS 20 7.138 -0.395 -3.590 171 HB2 LYS 20 1HB LYS 20 4.369 0.432 -2.933 172 HB3 LYS 20 2HB LYS 20 5.268 1.454 -4.035 173 HG2 LYS 20 1HG LYS 20 3.835 -0.235 -5.153 174 HG3 LYS 20 2HG LYS 20 5.537 -0.327 -5.598 175 HD2 LYS 20 1HD LYS 20 5.852 -2.212 -4.102 176 HD3 LYS 20 2HD LYS 20 4.182 -2.090 -3.552 177 HE2 LYS 20 1HE LYS 20 4.464 -3.881 -5.195 178 HE3 LYS 20 2HE LYS 20 3.390 -2.620 -5.791 179 HZ1 LYS 20 1HZ LYS 20 4.955 -3.360 -7.480 180 HZ2 LYS 20 2HZ LYS 20 6.257 -2.909 -6.504 181 HZ3 LYS 20 3HZ LYS 20 5.202 -1.730 -7.101 182 H VAL 21 H VAL 21 7.478 0.403 -0.659 183 HA VAL 21 HA VAL 21 8.438 3.119 -1.122 184 HB VAL 21 HB VAL 21 7.504 3.956 0.931 185 HG11 VAL 21 1HG1 VAL 21 5.335 2.505 -0.555 186 HG12 VAL 21 2HG1 VAL 21 6.067 4.033 -1.062 187 HG13 VAL 21 3HG1 VAL 21 5.141 3.953 0.439 188 HG21 VAL 21 1HG2 VAL 21 6.609 1.129 1.374 189 HG22 VAL 21 2HG2 VAL 21 5.819 2.483 2.186 190 HG23 VAL 21 3HG2 VAL 21 7.537 2.180 2.448 191 H ALA 22 H ALA 22 8.393 0.220 0.870 192 HA ALA 22 HA ALA 22 10.582 0.903 2.513 193 HB1 ALA 22 1HB ALA 22 9.143 -1.608 1.825 194 HB2 ALA 22 2HB ALA 22 9.289 -0.790 3.382 195 HB3 ALA 22 3HB ALA 22 10.653 -1.700 2.730 196 HA PRO 23 HA PRO 23 13.273 -1.635 -0.564 197 HB2 PRO 23 1HB PRO 23 11.876 -1.573 -3.130 198 HB3 PRO 23 2HB PRO 23 12.548 -2.954 -2.262 199 HG2 PRO 23 1HG PRO 23 9.895 -2.564 -2.528 200 HG3 PRO 23 2HG PRO 23 10.604 -3.340 -1.100 201 HD2 PRO 23 1HD PRO 23 9.653 -0.523 -1.463 202 HD3 PRO 23 2HD PRO 23 9.429 -1.612 -0.083 203 H VAL 24 H VAL 24 11.321 1.058 -1.594 204 HA VAL 24 HA VAL 24 13.306 2.068 -3.393 205 HB VAL 24 HB VAL 24 11.962 3.950 -3.785 206 HG11 VAL 24 1HG1 VAL 24 10.289 1.528 -3.280 207 HG12 VAL 24 2HG1 VAL 24 11.055 2.023 -4.789 208 HG13 VAL 24 3HG1 VAL 24 9.699 2.947 -4.140 209 HG21 VAL 24 1HG2 VAL 24 10.471 3.319 -1.254 210 HG22 VAL 24 2HG2 VAL 24 9.962 4.516 -2.442 211 HG23 VAL 24 3HG2 VAL 24 11.482 4.727 -1.573 212 H VAL 25 H VAL 25 12.300 2.849 -0.086 213 HA VAL 25 HA VAL 25 14.264 4.870 0.340 214 HB VAL 25 HB VAL 25 12.803 3.123 2.326 215 HG11 VAL 25 1HG1 VAL 25 14.863 4.210 3.221 216 HG12 VAL 25 2HG1 VAL 25 13.381 4.771 3.995 217 HG13 VAL 25 3HG1 VAL 25 14.181 5.775 2.787 218 HG21 VAL 25 1HG2 VAL 25 11.848 5.026 0.576 219 HG22 VAL 25 2HG2 VAL 25 12.003 5.905 2.103 220 HG23 VAL 25 3HG2 VAL 25 11.024 4.437 2.023 221 H ALA 26 H ALA 26 14.243 1.458 0.507 222 HA ALA 26 HA ALA 26 16.694 1.141 1.863 223 HB1 ALA 26 1HB ALA 26 14.798 -0.472 1.220 224 HB2 ALA 26 2HB ALA 26 16.453 -1.075 1.356 225 HB3 ALA 26 3HB ALA 26 15.755 -0.747 -0.236 226 H ALA 27 H ALA 27 15.869 2.289 -1.227 227 HA ALA 27 HA ALA 27 18.584 1.916 -2.286 228 HB1 ALA 27 1HB ALA 27 16.093 3.011 -3.614 229 HB2 ALA 27 2HB ALA 27 16.738 1.375 -3.795 230 HB3 ALA 27 3HB ALA 27 17.655 2.753 -4.399 231 H PHE 28 H PHE 28 16.391 4.278 -1.019 232 HA PHE 28 HA PHE 28 17.988 6.550 -1.761 233 HB2 PHE 28 1HB PHE 28 15.484 6.151 -0.179 234 HB3 PHE 28 2HB PHE 28 16.298 7.701 -0.160 235 HD1 PHE 28 HD1 PHE 28 14.056 5.566 -1.789 236 HD2 PHE 28 HD2 PHE 28 16.692 8.817 -2.471 237 HE1 PHE 28 HE1 PHE 28 12.894 6.052 -3.854 238 HE2 PHE 28 HE2 PHE 28 15.514 9.337 -4.573 239 HZ PHE 28 HZ PHE 28 13.600 7.948 -5.277 240 H ALA 29 H ALA 29 17.676 4.407 0.915 241 HA ALA 29 HA ALA 29 19.230 6.098 2.683 242 HB1 ALA 29 1HB ALA 29 17.606 3.647 2.963 243 HB2 ALA 29 2HB ALA 29 17.711 5.068 4.008 244 HB3 ALA 29 3HB ALA 29 18.965 3.829 4.077 245 H ARG 30 H ARG 30 19.526 2.660 1.624 246 HA ARG 30 HA ARG 30 22.435 3.121 1.683 247 HB2 ARG 30 1HB ARG 30 22.730 0.709 2.138 248 HB3 ARG 30 2HB ARG 30 21.869 1.548 3.414 249 HG2 ARG 30 1HG ARG 30 20.305 0.143 1.309 250 HG3 ARG 30 2HG ARG 30 21.107 -0.805 2.559 251 HD2 ARG 30 1HD ARG 30 19.920 0.414 4.283 252 HD3 ARG 30 2HD ARG 30 19.167 1.448 3.069 253 HE ARG 30 HE ARG 30 18.320 -0.862 2.206 254 HH11 ARG 30 1HH1 ARG 30 18.603 0.158 5.547 255 HH12 ARG 30 2HH1 ARG 30 17.296 -0.843 6.090 256 HH21 ARG 30 1HH2 ARG 30 16.625 -2.193 2.925 257 HH22 ARG 30 2HH2 ARG 30 16.172 -2.186 4.601 Start of MODEL 10 1 H1 LYS 1 1H LYS 1 -23.196 7.145 1.725 2 H2 LYS 1 2H LYS 1 -24.522 7.254 0.684 3 H3 LYS 1 3H LYS 1 -23.208 8.302 0.495 4 HA LYS 1 HA LYS 1 -23.119 5.367 0.148 5 HB2 LYS 1 1HB LYS 1 -24.417 6.567 -1.610 6 HB3 LYS 1 2HB LYS 1 -23.002 7.555 -1.944 7 HG2 LYS 1 1HG LYS 1 -21.762 5.539 -2.591 8 HG3 LYS 1 2HG LYS 1 -23.205 4.569 -2.288 9 HD2 LYS 1 1HD LYS 1 -24.409 5.858 -4.005 10 HD3 LYS 1 2HD LYS 1 -22.939 6.782 -4.323 11 HE2 LYS 1 1HE LYS 1 -23.263 3.801 -4.671 12 HE3 LYS 1 2HE LYS 1 -23.259 4.994 -5.968 13 HZ1 LYS 1 1HZ LYS 1 -20.987 5.574 -5.370 14 HZ2 LYS 1 2HZ LYS 1 -21.110 3.933 -5.753 15 HZ3 LYS 1 3HZ LYS 1 -20.990 4.415 -4.137 16 H ILE 2 H ILE 2 -21.257 5.302 1.494 17 HA ILE 2 HA ILE 2 -18.877 6.623 0.388 18 HB ILE 2 HB ILE 2 -19.398 5.398 3.100 19 HG12 ILE 2 1HG1 ILE 2 -18.730 8.238 2.296 20 HG13 ILE 2 2HG1 ILE 2 -20.335 7.657 2.727 21 HG21 ILE 2 1HG2 ILE 2 -17.140 4.884 2.379 22 HG22 ILE 2 2HG2 ILE 2 -17.130 6.049 3.702 23 HG23 ILE 2 3HG2 ILE 2 -16.840 6.589 2.048 24 HD11 ILE 2 1HD1 ILE 2 -19.561 7.155 4.977 25 HD12 ILE 2 2HD1 ILE 2 -19.276 8.848 4.567 26 HD13 ILE 2 3HD1 ILE 2 -17.939 7.698 4.546 27 H ASN 3 H ASN 3 -17.445 5.390 -0.699 28 HA ASN 3 HA ASN 3 -17.958 2.633 -1.128 29 HB2 ASN 3 1HB ASN 3 -16.875 3.976 -2.844 30 HB3 ASN 3 2HB ASN 3 -15.492 4.246 -1.788 31 HD21 ASN 3 1HD2 ASN 3 -14.172 3.343 -3.422 32 HD22 ASN 3 2HD2 ASN 3 -14.075 1.631 -3.644 33 H LYS 4 H LYS 4 -17.616 1.098 0.222 34 HA LYS 4 HA LYS 4 -15.660 1.435 2.369 35 HB2 LYS 4 1HB LYS 4 -17.853 -0.625 2.026 36 HB3 LYS 4 2HB LYS 4 -16.817 -0.461 3.435 37 HG2 LYS 4 1HG LYS 4 -18.792 1.589 2.450 38 HG3 LYS 4 2HG LYS 4 -19.009 0.512 3.830 39 HD2 LYS 4 1HD LYS 4 -17.023 1.542 4.892 40 HD3 LYS 4 2HD LYS 4 -16.915 2.664 3.536 41 HE2 LYS 4 1HE LYS 4 -18.037 3.689 5.449 42 HE3 LYS 4 2HE LYS 4 -19.120 3.546 4.067 43 HZ1 LYS 4 1HZ LYS 4 -20.135 2.912 6.214 44 HZ2 LYS 4 2HZ LYS 4 -19.050 1.618 6.321 45 HZ3 LYS 4 3HZ LYS 4 -20.176 1.675 5.065 46 H GLN 5 H GLN 5 -16.180 -0.222 -0.564 47 HA GLN 5 HA GLN 5 -14.542 -2.475 -0.211 48 HB2 GLN 5 1HB GLN 5 -16.040 -1.932 -2.194 49 HB3 GLN 5 2HB GLN 5 -14.770 -0.841 -2.730 50 HG2 GLN 5 1HG GLN 5 -14.593 -2.921 -3.908 51 HG3 GLN 5 2HG GLN 5 -13.211 -2.726 -2.830 52 HE21 GLN 5 1HE2 GLN 5 -16.165 -4.461 -3.420 53 HE22 GLN 5 2HE2 GLN 5 -15.860 -5.752 -2.311 54 H LYS 6 H LYS 6 -13.880 0.858 -1.090 55 HA LYS 6 HA LYS 6 -11.178 0.741 -1.681 56 HB2 LYS 6 1HB LYS 6 -12.220 2.747 -2.149 57 HB3 LYS 6 2HB LYS 6 -12.921 2.853 -0.547 58 HG2 LYS 6 1HG LYS 6 -10.886 3.493 0.423 59 HG3 LYS 6 2HG LYS 6 -9.964 3.006 -0.991 60 HD2 LYS 6 1HD LYS 6 -10.008 5.297 -1.245 61 HD3 LYS 6 2HD LYS 6 -11.409 4.803 -2.193 62 HE2 LYS 6 1HE LYS 6 -11.627 5.606 0.693 63 HE3 LYS 6 2HE LYS 6 -11.711 6.779 -0.620 64 HZ1 LYS 6 1HZ LYS 6 -13.542 4.480 -0.203 65 HZ2 LYS 6 2HZ LYS 6 -13.604 5.538 -1.521 66 HZ3 LYS 6 3HZ LYS 6 -13.907 6.112 0.040 67 H ILE 7 H ILE 7 -12.759 0.807 1.460 68 HA ILE 7 HA ILE 7 -10.525 1.268 3.044 69 HB ILE 7 HB ILE 7 -13.026 -0.270 3.616 70 HG12 ILE 7 1HG1 ILE 7 -12.814 1.774 5.386 71 HG13 ILE 7 2HG1 ILE 7 -11.936 2.437 4.027 72 HG21 ILE 7 1HG2 ILE 7 -10.933 -1.153 4.839 73 HG22 ILE 7 2HG2 ILE 7 -12.357 -0.754 5.799 74 HG23 ILE 7 3HG2 ILE 7 -10.994 0.365 5.730 75 HD11 ILE 7 1HD1 ILE 7 -13.841 2.065 2.596 76 HD12 ILE 7 2HD1 ILE 7 -14.226 3.123 3.954 77 HD13 ILE 7 3HD1 ILE 7 -14.748 1.437 3.974 78 H LYS 8 H LYS 8 -11.666 -1.793 1.616 79 HA LYS 8 HA LYS 8 -9.524 -3.298 2.830 80 HB2 LYS 8 1HB LYS 8 -11.041 -4.132 0.380 81 HB3 LYS 8 2HB LYS 8 -10.138 -5.156 1.470 82 HG2 LYS 8 1HG LYS 8 -12.315 -5.624 2.034 83 HG3 LYS 8 2HG LYS 8 -11.860 -4.418 3.237 84 HD2 LYS 8 1HD LYS 8 -13.186 -2.804 2.324 85 HD3 LYS 8 2HD LYS 8 -13.043 -3.466 0.691 86 HE2 LYS 8 1HE LYS 8 -14.673 -4.626 2.957 87 HE3 LYS 8 2HE LYS 8 -15.311 -3.745 1.568 88 HZ1 LYS 8 1HZ LYS 8 -15.541 -6.079 1.183 89 HZ2 LYS 8 2HZ LYS 8 -13.912 -6.363 1.520 90 HZ3 LYS 8 3HZ LYS 8 -14.349 -5.494 0.134 91 H ASN 9 H ASN 9 -10.080 -1.588 -0.135 92 HA ASN 9 HA ASN 9 -7.963 -2.538 -1.634 93 HB2 ASN 9 1HB ASN 9 -9.312 0.140 -1.513 94 HB3 ASN 9 2HB ASN 9 -7.903 -0.079 -2.533 95 HD21 ASN 9 1HD2 ASN 9 -11.182 -1.133 -1.946 96 HD22 ASN 9 2HD2 ASN 9 -11.503 -1.619 -3.563 97 H GLY 10 H GLY 10 -8.060 0.328 0.446 98 HA2 GLY 10 1HA GLY 10 -5.290 0.859 0.335 99 HA3 GLY 10 2HA GLY 10 -6.409 1.479 1.539 100 H ALA 11 H ALA 11 -7.243 -1.058 2.550 101 HA ALA 11 HA ALA 11 -5.167 -1.557 4.412 102 HB1 ALA 11 1HB ALA 11 -7.650 -1.846 4.778 103 HB2 ALA 11 2HB ALA 11 -6.621 -3.148 5.385 104 HB3 ALA 11 3HB ALA 11 -7.515 -3.361 3.880 105 H LYS 12 H LYS 12 -6.013 -2.938 1.342 106 HA LYS 12 HA LYS 12 -4.437 -5.324 1.724 107 HB2 LYS 12 1HB LYS 12 -6.275 -5.763 0.415 108 HB3 LYS 12 2HB LYS 12 -6.151 -4.240 -0.449 109 HG2 LYS 12 1HG LYS 12 -3.991 -6.244 -0.814 110 HG3 LYS 12 2HG LYS 12 -5.554 -6.527 -1.592 111 HD2 LYS 12 1HD LYS 12 -5.398 -4.195 -2.465 112 HD3 LYS 12 2HD LYS 12 -3.741 -4.152 -1.897 113 HE2 LYS 12 1HE LYS 12 -3.179 -6.051 -3.316 114 HE3 LYS 12 2HE LYS 12 -4.850 -6.148 -3.868 115 HZ1 LYS 12 1HZ LYS 12 -4.627 -4.000 -4.895 116 HZ2 LYS 12 2HZ LYS 12 -3.398 -5.014 -5.454 117 HZ3 LYS 12 3HZ LYS 12 -3.055 -3.826 -4.302 118 H LYS 13 H LYS 13 -4.165 -2.309 -0.081 119 HA LYS 13 HA LYS 13 -1.567 -3.083 -1.068 120 HB2 LYS 13 1HB LYS 13 -1.561 -0.898 -2.178 121 HB3 LYS 13 2HB LYS 13 -3.014 -1.820 -2.553 122 HG2 LYS 13 1HG LYS 13 -4.379 -0.417 -1.433 123 HG3 LYS 13 2HG LYS 13 -3.153 0.006 -0.241 124 HD2 LYS 13 1HD LYS 13 -2.046 1.438 -1.853 125 HD3 LYS 13 2HD LYS 13 -3.225 0.977 -3.092 126 HE2 LYS 13 1HE LYS 13 -5.002 1.995 -1.908 127 HE3 LYS 13 2HE LYS 13 -4.010 2.188 -0.462 128 HZ1 LYS 13 1HZ LYS 13 -4.354 4.257 -1.771 129 HZ2 LYS 13 2HZ LYS 13 -3.475 3.568 -3.042 130 HZ3 LYS 13 3HZ LYS 13 -2.726 3.860 -1.553 131 H ALA 14 H ALA 14 -2.697 -1.765 1.810 132 HA ALA 14 HA ALA 14 -0.520 0.009 2.320 133 HB1 ALA 14 1HB ALA 14 -2.150 -1.628 4.272 134 HB2 ALA 14 2HB ALA 14 -2.550 0.002 3.724 135 HB3 ALA 14 3HB ALA 14 -1.103 -0.273 4.698 136 H LEU 15 H LEU 15 -0.927 -3.310 2.119 137 HA LEU 15 HA LEU 15 1.695 -3.930 3.239 138 HB2 LEU 15 1HB LEU 15 -0.157 -5.867 1.895 139 HB3 LEU 15 2HB LEU 15 0.986 -6.152 3.194 140 HG LEU 15 HG LEU 15 -1.439 -4.436 3.581 141 HD11 LEU 15 1HD1 LEU 15 -2.334 -6.522 2.870 142 HD12 LEU 15 2HD1 LEU 15 -2.478 -6.461 4.628 143 HD13 LEU 15 3HD1 LEU 15 -1.202 -7.422 3.881 144 HD21 LEU 15 1HD2 LEU 15 0.315 -4.218 5.248 145 HD22 LEU 15 2HD2 LEU 15 0.330 -5.965 5.490 146 HD23 LEU 15 3HD2 LEU 15 -1.093 -5.024 5.942 147 H GLY 16 H GLY 16 -0.077 -3.650 0.255 148 HA2 GLY 16 1HA GLY 16 1.896 -4.921 -1.407 149 HA3 GLY 16 2HA GLY 16 0.463 -4.041 -1.940 150 H VAL 17 H VAL 17 0.733 -1.619 -0.970 151 HA VAL 17 HA VAL 17 2.733 -0.525 -2.722 152 HB VAL 17 HB VAL 17 0.350 0.347 -2.138 153 HG11 VAL 17 1HG1 VAL 17 0.379 0.778 0.113 154 HG12 VAL 17 2HG1 VAL 17 0.586 2.382 -0.603 155 HG13 VAL 17 3HG1 VAL 17 1.981 1.524 0.056 156 HG21 VAL 17 1HG2 VAL 17 1.781 1.331 -3.827 157 HG22 VAL 17 2HG2 VAL 17 2.684 2.196 -2.582 158 HG23 VAL 17 3HG2 VAL 17 0.993 2.599 -2.889 159 H ALA 18 H ALA 18 2.426 -1.157 0.623 160 HA ALA 18 HA ALA 18 4.564 0.368 1.607 161 HB1 ALA 18 1HB ALA 18 3.766 -2.410 2.469 162 HB2 ALA 18 2HB ALA 18 3.054 -0.909 3.062 163 HB3 ALA 18 3HB ALA 18 4.747 -1.273 3.393 164 H SER 19 H SER 19 4.467 -2.442 -0.396 165 HA SER 19 HA SER 19 7.299 -3.014 -0.062 166 HB2 SER 19 1HB SER 19 5.266 -4.312 -1.889 167 HB3 SER 19 2HB SER 19 6.864 -4.939 -1.481 168 HG SER 19 HG SER 19 4.651 -4.603 0.276 169 H LYS 20 H LYS 20 5.618 -0.733 -1.477 170 HA LYS 20 HA LYS 20 7.228 -0.670 -3.905 171 HB2 LYS 20 1HB LYS 20 4.481 0.270 -3.288 172 HB3 LYS 20 2HB LYS 20 5.427 1.227 -4.411 173 HG2 LYS 20 1HG LYS 20 3.931 -0.445 -5.482 174 HG3 LYS 20 2HG LYS 20 5.630 -0.599 -5.928 175 HD2 LYS 20 1HD LYS 20 5.900 -2.456 -4.408 176 HD3 LYS 20 2HD LYS 20 4.249 -2.259 -3.816 177 HE2 LYS 20 1HE LYS 20 4.988 -2.913 -6.665 178 HE3 LYS 20 2HE LYS 20 4.517 -4.105 -5.456 179 HZ1 LYS 20 1HZ LYS 20 2.384 -2.964 -5.248 180 HZ2 LYS 20 2HZ LYS 20 2.644 -3.506 -6.825 181 HZ3 LYS 20 3HZ LYS 20 2.839 -1.870 -6.454 182 H VAL 21 H VAL 21 7.398 0.230 -0.918 183 HA VAL 21 HA VAL 21 8.537 2.863 -1.464 184 HB VAL 21 HB VAL 21 7.510 3.879 0.431 185 HG11 VAL 21 1HG1 VAL 21 5.407 2.354 -1.070 186 HG12 VAL 21 2HG1 VAL 21 6.152 3.872 -1.582 187 HG13 VAL 21 3HG1 VAL 21 5.141 3.829 -0.136 188 HG21 VAL 21 1HG2 VAL 21 6.502 1.134 1.090 189 HG22 VAL 21 2HG2 VAL 21 5.745 2.588 1.752 190 HG23 VAL 21 3HG2 VAL 21 7.439 2.240 2.096 191 H ALA 22 H ALA 22 8.256 0.086 0.686 192 HA ALA 22 HA ALA 22 10.345 0.791 2.443 193 HB1 ALA 22 1HB ALA 22 8.870 -1.695 1.777 194 HB2 ALA 22 2HB ALA 22 9.004 -0.841 3.318 195 HB3 ALA 22 3HB ALA 22 10.349 -1.826 2.734 196 HA PRO 23 HA PRO 23 13.228 -1.901 -0.279 197 HB2 PRO 23 1HB PRO 23 12.057 -2.041 -2.940 198 HB3 PRO 23 2HB PRO 23 12.603 -3.355 -1.897 199 HG2 PRO 23 1HG PRO 23 9.993 -2.908 -2.463 200 HG3 PRO 23 2HG PRO 23 10.540 -3.624 -0.935 201 HD2 PRO 23 1HD PRO 23 9.706 -0.813 -1.532 202 HD3 PRO 23 2HD PRO 23 9.344 -1.813 -0.114 203 H VAL 24 H VAL 24 11.377 0.730 -1.571 204 HA VAL 24 HA VAL 24 13.494 1.628 -3.296 205 HB VAL 24 HB VAL 24 12.167 3.426 -3.964 206 HG11 VAL 24 1HG1 VAL 24 10.472 1.049 -3.351 207 HG12 VAL 24 2HG1 VAL 24 11.317 1.426 -4.850 208 HG13 VAL 24 3HG1 VAL 24 9.918 2.383 -4.360 209 HG21 VAL 24 1HG2 VAL 24 10.497 3.034 -1.496 210 HG22 VAL 24 2HG2 VAL 24 10.087 4.120 -2.822 211 HG23 VAL 24 3HG2 VAL 24 11.542 4.404 -1.867 212 H VAL 25 H VAL 25 12.204 2.584 -0.127 213 HA VAL 25 HA VAL 25 14.041 4.709 0.287 214 HB VAL 25 HB VAL 25 12.540 3.012 2.287 215 HG11 VAL 25 1HG1 VAL 25 14.577 4.158 3.215 216 HG12 VAL 25 2HG1 VAL 25 13.054 4.656 3.952 217 HG13 VAL 25 3HG1 VAL 25 13.841 5.696 2.765 218 HG21 VAL 25 1HG2 VAL 25 11.530 4.700 0.463 219 HG22 VAL 25 2HG2 VAL 25 11.842 5.832 1.782 220 HG23 VAL 25 3HG2 VAL 25 10.799 4.433 2.048 221 H ALA 26 H ALA 26 14.188 1.331 0.548 222 HA ALA 26 HA ALA 26 16.614 1.205 2.032 223 HB1 ALA 26 1HB ALA 26 14.761 -0.512 1.634 224 HB2 ALA 26 2HB ALA 26 16.436 -1.076 1.735 225 HB3 ALA 26 3HB ALA 26 15.650 -0.909 0.159 226 H ALA 27 H ALA 27 15.956 2.454 -0.889 227 HA ALA 27 HA ALA 27 18.723 2.037 -1.818 228 HB1 ALA 27 1HB ALA 27 16.257 2.680 -3.455 229 HB2 ALA 27 2HB ALA 27 17.112 1.133 -3.412 230 HB3 ALA 27 3HB ALA 27 17.904 2.557 -4.084 231 H PHE 28 H PHE 28 16.248 4.245 -0.854 232 HA PHE 28 HA PHE 28 17.616 6.603 -1.796 233 HB2 PHE 28 1HB PHE 28 15.094 6.088 -0.281 234 HB3 PHE 28 2HB PHE 28 15.758 7.708 -0.332 235 HD1 PHE 28 HD1 PHE 28 13.950 5.162 -1.980 236 HD2 PHE 28 HD2 PHE 28 16.011 8.813 -2.606 237 HE1 PHE 28 HE1 PHE 28 12.842 5.398 -4.110 238 HE2 PHE 28 HE2 PHE 28 14.883 9.078 -4.783 239 HZ PHE 28 HZ PHE 28 13.284 7.362 -5.547 240 H ALA 29 H ALA 29 16.981 4.961 1.238 241 HA ALA 29 HA ALA 29 18.560 6.823 2.777 242 HB1 ALA 29 1HB ALA 29 17.096 4.271 3.360 243 HB2 ALA 29 2HB ALA 29 16.768 5.897 3.968 244 HB3 ALA 29 3HB ALA 29 18.169 5.002 4.558 245 H ARG 30 H ARG 30 18.775 3.397 1.862 246 HA ARG 30 HA ARG 30 21.582 3.273 2.508 247 HB2 ARG 30 1HB ARG 30 19.565 1.337 1.487 248 HB3 ARG 30 2HB ARG 30 21.282 0.966 1.386 249 HG2 ARG 30 1HG ARG 30 21.506 1.218 3.785 250 HG3 ARG 30 2HG ARG 30 19.799 1.658 3.910 251 HD2 ARG 30 1HD ARG 30 20.462 -0.835 2.511 252 HD3 ARG 30 2HD ARG 30 20.677 -0.833 4.263 253 HE ARG 30 HE ARG 30 18.174 0.232 3.803 254 HH11 ARG 30 1HH1 ARG 30 19.783 -2.785 3.039 255 HH12 ARG 30 2HH1 ARG 30 18.345 -3.740 3.211 256 HH21 ARG 30 1HH2 ARG 30 16.288 -1.031 4.053 257 HH22 ARG 30 2HH2 ARG 30 16.353 -2.740 3.761 Start of MODEL 11 1 H1 LYS 1 1H LYS 1 -18.630 7.817 4.171 2 H2 LYS 1 2H LYS 1 -18.743 6.136 4.286 3 H3 LYS 1 3H LYS 1 -19.976 7.015 3.539 4 HA LYS 1 HA LYS 1 -18.530 7.665 1.767 5 HB2 LYS 1 1HB LYS 1 -16.483 5.970 3.210 6 HB3 LYS 1 2HB LYS 1 -16.267 6.691 1.622 7 HG2 LYS 1 1HG LYS 1 -16.434 8.916 2.590 8 HG3 LYS 1 2HG LYS 1 -16.690 8.211 4.187 9 HD2 LYS 1 1HD LYS 1 -14.478 7.155 4.063 10 HD3 LYS 1 2HD LYS 1 -14.225 7.888 2.476 11 HE2 LYS 1 1HE LYS 1 -14.401 10.111 3.469 12 HE3 LYS 1 2HE LYS 1 -14.683 9.389 5.051 13 HZ1 LYS 1 1HZ LYS 1 -12.208 9.135 3.432 14 HZ2 LYS 1 2HZ LYS 1 -12.477 8.376 4.917 15 HZ3 LYS 1 3HZ LYS 1 -12.395 10.062 4.835 16 H ILE 2 H ILE 2 -18.939 6.526 -0.033 17 HA ILE 2 HA ILE 2 -20.261 4.003 0.282 18 HB ILE 2 HB ILE 2 -19.700 5.664 -2.179 19 HG12 ILE 2 1HG1 ILE 2 -21.170 6.801 -0.590 20 HG13 ILE 2 2HG1 ILE 2 -22.073 6.299 -2.015 21 HG21 ILE 2 1HG2 ILE 2 -20.044 3.214 -2.549 22 HG22 ILE 2 2HG2 ILE 2 -21.180 4.275 -3.385 23 HG23 ILE 2 3HG2 ILE 2 -21.681 3.419 -1.924 24 HD11 ILE 2 1HD1 ILE 2 -23.369 5.912 -0.021 25 HD12 ILE 2 2HD1 ILE 2 -22.073 4.936 0.668 26 HD13 ILE 2 3HD1 ILE 2 -22.936 4.371 -0.763 27 H ASN 3 H ASN 3 -19.688 2.075 -0.656 28 HA ASN 3 HA ASN 3 -18.415 0.422 -1.524 29 HB2 ASN 3 1HB ASN 3 -17.692 1.942 -3.299 30 HB3 ASN 3 2HB ASN 3 -16.413 2.550 -2.258 31 HD21 ASN 3 1HD2 ASN 3 -14.767 1.913 -3.602 32 HD22 ASN 3 2HD2 ASN 3 -14.352 0.253 -3.865 33 H LYS 4 H LYS 4 -17.933 -0.730 0.095 34 HA LYS 4 HA LYS 4 -15.981 0.169 2.075 35 HB2 LYS 4 1HB LYS 4 -17.874 -2.195 2.075 36 HB3 LYS 4 2HB LYS 4 -16.766 -1.808 3.383 37 HG2 LYS 4 1HG LYS 4 -19.017 -0.053 2.415 38 HG3 LYS 4 2HG LYS 4 -19.041 -1.060 3.865 39 HD2 LYS 4 1HD LYS 4 -17.175 0.222 4.789 40 HD3 LYS 4 2HD LYS 4 -17.137 1.218 3.334 41 HE2 LYS 4 1HE LYS 4 -19.369 2.036 3.806 42 HE3 LYS 4 2HE LYS 4 -19.472 0.994 5.223 43 HZ1 LYS 4 1HZ LYS 4 -18.902 3.279 5.799 44 HZ2 LYS 4 2HZ LYS 4 -17.502 3.184 4.856 45 HZ3 LYS 4 3HZ LYS 4 -17.665 2.209 6.228 46 H GLN 5 H GLN 5 -16.197 -1.787 -0.674 47 HA GLN 5 HA GLN 5 -14.186 -3.684 -0.087 48 HB2 GLN 5 1HB GLN 5 -15.704 -3.826 -2.044 49 HB3 GLN 5 2HB GLN 5 -14.874 -2.445 -2.744 50 HG2 GLN 5 1HG GLN 5 -14.144 -4.593 -3.692 51 HG3 GLN 5 2HG GLN 5 -12.841 -3.677 -2.937 52 HE21 GLN 5 1HE2 GLN 5 -11.576 -5.501 -2.643 53 HE22 GLN 5 2HE2 GLN 5 -11.943 -6.699 -1.452 54 H LYS 6 H LYS 6 -14.148 -0.368 -1.196 55 HA LYS 6 HA LYS 6 -11.466 -0.021 -1.822 56 HB2 LYS 6 1HB LYS 6 -12.878 1.788 -2.270 57 HB3 LYS 6 2HB LYS 6 -13.533 1.795 -0.637 58 HG2 LYS 6 1HG LYS 6 -11.567 2.730 0.251 59 HG3 LYS 6 2HG LYS 6 -10.667 2.449 -1.235 60 HD2 LYS 6 1HD LYS 6 -12.060 4.051 -2.398 61 HD3 LYS 6 2HD LYS 6 -13.015 4.313 -0.941 62 HE2 LYS 6 1HE LYS 6 -11.393 6.106 -1.231 63 HE3 LYS 6 2HE LYS 6 -11.027 5.158 0.210 64 HZ1 LYS 6 1HZ LYS 6 -9.308 4.006 -1.000 65 HZ2 LYS 6 2HZ LYS 6 -9.044 5.672 -1.103 66 HZ3 LYS 6 3HZ LYS 6 -9.691 4.838 -2.421 67 H ILE 7 H ILE 7 -13.074 0.061 1.318 68 HA ILE 7 HA ILE 7 -10.893 0.855 2.849 69 HB ILE 7 HB ILE 7 -13.272 -0.798 3.611 70 HG12 ILE 7 1HG1 ILE 7 -13.373 1.527 4.982 71 HG13 ILE 7 2HG1 ILE 7 -12.496 2.048 3.563 72 HG21 ILE 7 1HG2 ILE 7 -11.183 -1.248 5.008 73 HG22 ILE 7 2HG2 ILE 7 -12.634 -0.742 5.872 74 HG23 ILE 7 3HG2 ILE 7 -11.338 0.416 5.566 75 HD11 ILE 7 1HD1 ILE 7 -14.273 1.175 2.154 76 HD12 ILE 7 2HD1 ILE 7 -14.815 2.452 3.242 77 HD13 ILE 7 3HD1 ILE 7 -15.189 0.767 3.606 78 H LYS 8 H LYS 8 -11.800 -2.411 1.750 79 HA LYS 8 HA LYS 8 -9.594 -3.575 3.219 80 HB2 LYS 8 1HB LYS 8 -10.985 -4.901 0.922 81 HB3 LYS 8 2HB LYS 8 -10.099 -5.657 2.227 82 HG2 LYS 8 1HG LYS 8 -12.087 -6.068 3.115 83 HG3 LYS 8 2HG LYS 8 -12.101 -4.356 3.558 84 HD2 LYS 8 1HD LYS 8 -13.443 -3.770 1.786 85 HD3 LYS 8 2HD LYS 8 -13.001 -5.198 0.842 86 HE2 LYS 8 1HE LYS 8 -14.226 -6.572 2.554 87 HE3 LYS 8 2HE LYS 8 -14.796 -5.067 3.268 88 HZ1 LYS 8 1HZ LYS 8 -16.412 -6.058 1.747 89 HZ2 LYS 8 2HZ LYS 8 -15.308 -5.921 0.469 90 HZ3 LYS 8 3HZ LYS 8 -15.913 -4.532 1.221 91 H ASN 9 H ASN 9 -10.150 -2.199 0.105 92 HA ASN 9 HA ASN 9 -7.948 -3.461 -1.144 93 HB2 ASN 9 1HB ASN 9 -9.798 -1.262 -1.887 94 HB3 ASN 9 2HB ASN 9 -8.268 -1.377 -2.755 95 HD21 ASN 9 1HD2 ASN 9 -11.035 -1.854 -3.638 96 HD22 ASN 9 2HD2 ASN 9 -11.024 -3.459 -4.275 97 H GLY 10 H GLY 10 -8.456 -0.234 0.229 98 HA2 GLY 10 1HA GLY 10 -5.793 0.662 -0.068 99 HA3 GLY 10 2HA GLY 10 -6.949 1.259 1.119 100 H ALA 11 H ALA 11 -7.374 -1.346 2.301 101 HA ALA 11 HA ALA 11 -5.163 -1.403 4.114 102 HB1 ALA 11 1HB ALA 11 -7.626 -1.865 4.631 103 HB2 ALA 11 2HB ALA 11 -6.424 -2.933 5.366 104 HB3 ALA 11 3HB ALA 11 -7.335 -3.472 3.955 105 H LYS 12 H LYS 12 -6.110 -3.151 1.263 106 HA LYS 12 HA LYS 12 -4.338 -5.360 1.696 107 HB2 LYS 12 1HB LYS 12 -6.254 -5.910 0.481 108 HB3 LYS 12 2HB LYS 12 -6.118 -4.501 -0.564 109 HG2 LYS 12 1HG LYS 12 -3.986 -6.589 -0.632 110 HG3 LYS 12 2HG LYS 12 -5.527 -6.876 -1.456 111 HD2 LYS 12 1HD LYS 12 -5.247 -4.701 -2.576 112 HD3 LYS 12 2HD LYS 12 -3.658 -4.554 -1.853 113 HE2 LYS 12 1HE LYS 12 -3.582 -5.387 -4.188 114 HE3 LYS 12 2HE LYS 12 -2.878 -6.507 -3.025 115 HZ1 LYS 12 1HZ LYS 12 -4.297 -7.613 -4.660 116 HZ2 LYS 12 2HZ LYS 12 -5.626 -6.711 -4.131 117 HZ3 LYS 12 3HZ LYS 12 -4.884 -7.814 -3.088 118 H LYS 13 H LYS 13 -4.319 -2.423 -0.250 119 HA LYS 13 HA LYS 13 -1.696 -2.991 -1.275 120 HB2 LYS 13 1HB LYS 13 -1.862 -0.863 -2.385 121 HB3 LYS 13 2HB LYS 13 -3.379 -1.736 -2.608 122 HG2 LYS 13 1HG LYS 13 -4.457 0.026 -1.801 123 HG3 LYS 13 2HG LYS 13 -3.694 -0.281 -0.249 124 HD2 LYS 13 1HD LYS 13 -1.760 1.098 -1.002 125 HD3 LYS 13 2HD LYS 13 -2.700 1.533 -2.435 126 HE2 LYS 13 1HE LYS 13 -3.709 1.929 0.369 127 HE3 LYS 13 2HE LYS 13 -2.786 3.165 -0.495 128 HZ1 LYS 13 1HZ LYS 13 -5.344 1.978 -1.428 129 HZ2 LYS 13 2HZ LYS 13 -4.484 3.217 -2.187 130 HZ3 LYS 13 3HZ LYS 13 -5.189 3.485 -0.678 131 H ALA 14 H ALA 14 -3.000 -1.646 1.576 132 HA ALA 14 HA ALA 14 -0.883 0.123 2.207 133 HB1 ALA 14 1HB ALA 14 -2.499 -1.594 4.105 134 HB2 ALA 14 2HB ALA 14 -2.951 0.017 3.546 135 HB3 ALA 14 3HB ALA 14 -1.518 -0.199 4.551 136 H LEU 15 H LEU 15 -1.242 -3.272 2.130 137 HA LEU 15 HA LEU 15 1.343 -3.861 3.284 138 HB2 LEU 15 1HB LEU 15 -0.346 -5.733 1.660 139 HB3 LEU 15 2HB LEU 15 0.732 -6.099 2.987 140 HG LEU 15 HG LEU 15 -1.798 -4.544 3.365 141 HD11 LEU 15 1HD1 LEU 15 -2.411 -6.688 2.424 142 HD12 LEU 15 2HD1 LEU 15 -2.815 -6.656 4.140 143 HD13 LEU 15 3HD1 LEU 15 -1.384 -7.527 3.588 144 HD21 LEU 15 1HD2 LEU 15 -0.159 -4.333 5.143 145 HD22 LEU 15 2HD2 LEU 15 -0.031 -6.087 5.262 146 HD23 LEU 15 3HD2 LEU 15 -1.539 -5.282 5.694 147 H GLY 16 H GLY 16 -0.247 -3.685 0.158 148 HA2 GLY 16 1HA GLY 16 1.877 -4.759 -1.395 149 HA3 GLY 16 2HA GLY 16 0.496 -3.835 -1.992 150 H VAL 17 H VAL 17 0.696 -1.495 -0.866 151 HA VAL 17 HA VAL 17 2.709 -0.258 -2.477 152 HB VAL 17 HB VAL 17 0.361 0.560 -1.768 153 HG11 VAL 17 1HG1 VAL 17 0.452 0.687 0.538 154 HG12 VAL 17 2HG1 VAL 17 0.533 2.366 -0.007 155 HG13 VAL 17 3HG1 VAL 17 2.002 1.537 0.516 156 HG21 VAL 17 1HG2 VAL 17 2.666 2.423 -2.013 157 HG22 VAL 17 2HG2 VAL 17 0.986 2.874 -2.250 158 HG23 VAL 17 3HG2 VAL 17 1.756 1.720 -3.340 159 H ALA 18 H ALA 18 2.468 -1.166 0.819 160 HA ALA 18 HA ALA 18 4.566 0.322 1.929 161 HB1 ALA 18 1HB ALA 18 3.807 -2.537 2.540 162 HB2 ALA 18 2HB ALA 18 3.100 -1.100 3.278 163 HB3 ALA 18 3HB ALA 18 4.797 -1.491 3.558 164 H SER 19 H SER 19 4.567 -2.403 -0.228 165 HA SER 19 HA SER 19 7.438 -2.805 0.018 166 HB2 SER 19 1HB SER 19 5.418 -4.166 -1.770 167 HB3 SER 19 2HB SER 19 7.072 -4.703 -1.469 168 HG SER 19 HG SER 19 5.972 -4.443 0.891 169 H LYS 20 H LYS 20 5.641 -0.557 -1.265 170 HA LYS 20 HA LYS 20 7.158 -0.378 -3.746 171 HB2 LYS 20 1HB LYS 20 4.415 0.492 -2.997 172 HB3 LYS 20 2HB LYS 20 5.296 1.462 -4.158 173 HG2 LYS 20 1HG LYS 20 3.776 -0.205 -5.182 174 HG3 LYS 20 2HG LYS 20 5.457 -0.373 -5.682 175 HD2 LYS 20 1HD LYS 20 5.765 -2.250 -4.217 176 HD3 LYS 20 2HD LYS 20 4.167 -2.023 -3.506 177 HE2 LYS 20 1HE LYS 20 4.705 -2.707 -6.395 178 HE3 LYS 20 2HE LYS 20 4.250 -3.869 -5.151 179 HZ1 LYS 20 1HZ LYS 20 2.341 -3.212 -6.441 180 HZ2 LYS 20 2HZ LYS 20 2.610 -1.580 -6.091 181 HZ3 LYS 20 3HZ LYS 20 2.170 -2.646 -4.856 182 H VAL 21 H VAL 21 7.398 0.457 -0.725 183 HA VAL 21 HA VAL 21 8.425 3.144 -1.249 184 HB VAL 21 HB VAL 21 7.403 4.089 0.678 185 HG11 VAL 21 1HG1 VAL 21 5.278 2.482 -0.698 186 HG12 VAL 21 2HG1 VAL 21 5.994 3.968 -1.332 187 HG13 VAL 21 3HG1 VAL 21 5.053 4.008 0.161 188 HG21 VAL 21 1HG2 VAL 21 6.492 1.308 1.344 189 HG22 VAL 21 2HG2 VAL 21 5.771 2.745 2.075 190 HG23 VAL 21 3HG2 VAL 21 7.484 2.400 2.312 191 H ALA 22 H ALA 22 8.314 0.315 0.840 192 HA ALA 22 HA ALA 22 10.457 1.101 2.527 193 HB1 ALA 22 1HB ALA 22 8.965 -1.403 1.983 194 HB2 ALA 22 2HB ALA 22 9.143 -0.503 3.492 195 HB3 ALA 22 3HB ALA 22 10.472 -1.498 2.892 196 HA PRO 23 HA PRO 23 13.191 -1.690 -0.285 197 HB2 PRO 23 1HB PRO 23 11.876 -1.775 -2.888 198 HB3 PRO 23 2HB PRO 23 12.484 -3.105 -1.905 199 HG2 PRO 23 1HG PRO 23 9.850 -2.654 -2.303 200 HG3 PRO 23 2HG PRO 23 10.486 -3.384 -0.817 201 HD2 PRO 23 1HD PRO 23 9.605 -0.575 -1.338 202 HD3 PRO 23 2HD PRO 23 9.345 -1.585 0.095 203 H VAL 24 H VAL 24 11.336 0.988 -1.488 204 HA VAL 24 HA VAL 24 13.375 1.856 -3.310 205 HB VAL 24 HB VAL 24 12.083 3.743 -3.816 206 HG11 VAL 24 1HG1 VAL 24 10.355 1.389 -3.203 207 HG12 VAL 24 2HG1 VAL 24 11.110 1.817 -4.737 208 HG13 VAL 24 3HG1 VAL 24 9.777 2.786 -4.106 209 HG21 VAL 24 1HG2 VAL 24 10.505 3.291 -1.297 210 HG22 VAL 24 2HG2 VAL 24 10.131 4.488 -2.537 211 HG23 VAL 24 3HG2 VAL 24 11.630 4.612 -1.613 212 H VAL 25 H VAL 25 12.336 2.802 -0.047 213 HA VAL 25 HA VAL 25 14.334 4.794 0.309 214 HB VAL 25 HB VAL 25 12.855 3.150 2.376 215 HG11 VAL 25 1HG1 VAL 25 14.965 4.216 3.202 216 HG12 VAL 25 2HG1 VAL 25 13.505 4.808 3.995 217 HG13 VAL 25 3HG1 VAL 25 14.292 5.783 2.753 218 HG21 VAL 25 1HG2 VAL 25 11.882 4.988 0.591 219 HG22 VAL 25 2HG2 VAL 25 12.153 5.958 2.042 220 HG23 VAL 25 3HG2 VAL 25 11.117 4.532 2.115 221 H ALA 26 H ALA 26 14.240 1.401 0.551 222 HA ALA 26 HA ALA 26 16.735 1.061 1.864 223 HB1 ALA 26 1HB ALA 26 14.741 -0.499 1.521 224 HB2 ALA 26 2HB ALA 26 16.371 -1.187 1.528 225 HB3 ALA 26 3HB ALA 26 15.525 -0.927 -0.004 226 H ALA 27 H ALA 27 15.993 2.390 -1.030 227 HA ALA 27 HA ALA 27 18.664 1.788 -2.118 228 HB1 ALA 27 1HB ALA 27 16.189 2.721 -3.590 229 HB2 ALA 27 2HB ALA 27 16.875 1.091 -3.631 230 HB3 ALA 27 3HB ALA 27 17.777 2.444 -4.313 231 H PHE 28 H PHE 28 16.481 4.163 -0.925 232 HA PHE 28 HA PHE 28 18.005 6.424 -1.875 233 HB2 PHE 28 1HB PHE 28 15.524 6.073 -0.255 234 HB3 PHE 28 2HB PHE 28 16.329 7.628 -0.266 235 HD1 PHE 28 HD1 PHE 28 14.238 5.325 -1.938 236 HD2 PHE 28 HD2 PHE 28 16.556 8.830 -2.489 237 HE1 PHE 28 HE1 PHE 28 13.048 5.764 -3.993 238 HE2 PHE 28 HE2 PHE 28 15.351 9.302 -4.588 239 HZ PHE 28 HZ PHE 28 13.580 7.760 -5.352 240 H ALA 29 H ALA 29 17.418 4.722 1.131 241 HA ALA 29 HA ALA 29 19.090 6.487 2.677 242 HB1 ALA 29 1HB ALA 29 17.480 4.031 3.237 243 HB2 ALA 29 2HB ALA 29 17.300 5.659 3.899 244 HB3 ALA 29 3HB ALA 29 18.635 4.634 4.428 245 H ARG 30 H ARG 30 19.215 2.989 1.851 246 HA ARG 30 HA ARG 30 22.130 3.249 1.871 247 HB2 ARG 30 1HB ARG 30 21.961 0.767 2.837 248 HB3 ARG 30 2HB ARG 30 22.046 2.188 3.858 249 HG2 ARG 30 1HG ARG 30 20.358 0.911 4.806 250 HG3 ARG 30 2HG ARG 30 19.497 2.127 3.867 251 HD2 ARG 30 1HD ARG 30 19.212 0.498 2.052 252 HD3 ARG 30 2HD ARG 30 20.044 -0.714 3.026 253 HE ARG 30 HE ARG 30 17.668 0.530 4.172 254 HH11 ARG 30 1HH1 ARG 30 19.122 -2.241 2.607 255 HH12 ARG 30 2HH1 ARG 30 17.834 -3.321 3.035 256 HH21 ARG 30 1HH2 ARG 30 15.970 -0.902 4.744 257 HH22 ARG 30 2HH2 ARG 30 16.053 -2.568 4.260 Start of MODEL 12 1 H1 LYS 1 1H LYS 1 -26.056 3.408 2.848 2 H2 LYS 1 2H LYS 1 -25.261 4.490 1.820 3 H3 LYS 1 3H LYS 1 -24.714 4.272 3.406 4 HA LYS 1 HA LYS 1 -24.109 2.012 2.945 5 HB2 LYS 1 1HB LYS 1 -25.055 2.680 0.149 6 HB3 LYS 1 2HB LYS 1 -24.137 1.242 0.570 7 HG2 LYS 1 1HG LYS 1 -25.972 0.614 2.130 8 HG3 LYS 1 2HG LYS 1 -26.902 1.971 1.495 9 HD2 LYS 1 1HD LYS 1 -26.800 1.000 -0.743 10 HD3 LYS 1 2HD LYS 1 -25.841 -0.345 -0.122 11 HE2 LYS 1 1HE LYS 1 -28.671 0.348 0.650 12 HE3 LYS 1 2HE LYS 1 -28.166 -1.003 -0.360 13 HZ1 LYS 1 1HZ LYS 1 -28.600 -1.729 1.888 14 HZ2 LYS 1 2HZ LYS 1 -27.489 -0.619 2.508 15 HZ3 LYS 1 3HZ LYS 1 -26.953 -1.903 1.544 16 H ILE 2 H ILE 2 -21.977 1.943 2.943 17 HA ILE 2 HA ILE 2 -20.503 3.947 1.376 18 HB ILE 2 HB ILE 2 -19.855 2.749 4.075 19 HG12 ILE 2 1HG1 ILE 2 -20.364 5.607 3.217 20 HG13 ILE 2 2HG1 ILE 2 -21.492 4.588 4.102 21 HG21 ILE 2 1HG2 ILE 2 -17.847 2.906 2.713 22 HG22 ILE 2 2HG2 ILE 2 -17.809 4.068 4.040 23 HG23 ILE 2 3HG2 ILE 2 -18.177 4.608 2.401 24 HD11 ILE 2 1HD1 ILE 2 -20.371 6.160 5.571 25 HD12 ILE 2 2HD1 ILE 2 -18.805 5.509 5.090 26 HD13 ILE 2 3HD1 ILE 2 -19.944 4.500 5.979 27 H ASN 3 H ASN 3 -19.009 3.195 -0.001 28 HA ASN 3 HA ASN 3 -18.764 0.419 -0.534 29 HB2 ASN 3 1HB ASN 3 -18.483 2.009 -2.315 30 HB3 ASN 3 2HB ASN 3 -17.145 2.782 -1.478 31 HD21 ASN 3 1HD2 ASN 3 -15.719 2.480 -3.149 32 HD22 ASN 3 2HD2 ASN 3 -15.095 0.921 -3.582 33 H LYS 4 H LYS 4 -17.766 -0.921 0.763 34 HA LYS 4 HA LYS 4 -15.529 0.051 2.381 35 HB2 LYS 4 1HB LYS 4 -15.877 -1.982 3.742 36 HB3 LYS 4 2HB LYS 4 -17.318 -0.982 3.649 37 HG2 LYS 4 1HG LYS 4 -18.144 -3.128 3.404 38 HG3 LYS 4 2HG LYS 4 -18.025 -2.559 1.740 39 HD2 LYS 4 1HD LYS 4 -17.116 -4.708 1.671 40 HD3 LYS 4 2HD LYS 4 -15.706 -3.646 1.733 41 HE2 LYS 4 1HE LYS 4 -15.556 -4.007 4.157 42 HE3 LYS 4 2HE LYS 4 -16.932 -5.104 4.074 43 HZ1 LYS 4 1HZ LYS 4 -15.635 -6.550 2.627 44 HZ2 LYS 4 2HZ LYS 4 -14.850 -6.315 4.105 45 HZ3 LYS 4 3HZ LYS 4 -14.315 -5.498 2.726 46 H GLN 5 H GLN 5 -16.112 -1.578 -0.445 47 HA GLN 5 HA GLN 5 -14.033 -3.490 -0.443 48 HB2 GLN 5 1HB GLN 5 -15.835 -3.427 -2.144 49 HB3 GLN 5 2HB GLN 5 -15.156 -1.933 -2.775 50 HG2 GLN 5 1HG GLN 5 -14.463 -3.733 -4.173 51 HG3 GLN 5 2HG GLN 5 -13.065 -3.147 -3.275 52 HE21 GLN 5 1HE2 GLN 5 -15.282 -5.756 -3.737 53 HE22 GLN 5 2HE2 GLN 5 -14.422 -6.930 -2.806 54 H LYS 6 H LYS 6 -14.201 -0.103 -1.436 55 HA LYS 6 HA LYS 6 -11.546 0.319 -2.176 56 HB2 LYS 6 1HB LYS 6 -12.945 2.068 -2.637 57 HB3 LYS 6 2HB LYS 6 -13.688 2.015 -1.053 58 HG2 LYS 6 1HG LYS 6 -11.731 2.991 -0.049 59 HG3 LYS 6 2HG LYS 6 -10.872 2.934 -1.585 60 HD2 LYS 6 1HD LYS 6 -11.628 5.146 -1.410 61 HD3 LYS 6 2HD LYS 6 -12.779 4.350 -2.489 62 HE2 LYS 6 1HE LYS 6 -14.171 5.508 -1.035 63 HE3 LYS 6 2HE LYS 6 -14.119 3.891 -0.330 64 HZ1 LYS 6 1HZ LYS 6 -12.469 4.643 1.240 65 HZ2 LYS 6 2HZ LYS 6 -13.848 5.614 1.346 66 HZ3 LYS 6 3HZ LYS 6 -12.468 6.189 0.559 67 H ILE 7 H ILE 7 -13.055 0.180 1.001 68 HA ILE 7 HA ILE 7 -10.816 1.068 2.434 69 HB ILE 7 HB ILE 7 -13.214 -0.510 3.252 70 HG12 ILE 7 1HG1 ILE 7 -12.966 1.665 4.866 71 HG13 ILE 7 2HG1 ILE 7 -12.185 2.240 3.410 72 HG21 ILE 7 1HG2 ILE 7 -11.024 -1.235 4.429 73 HG22 ILE 7 2HG2 ILE 7 -12.435 -0.852 5.414 74 HG23 ILE 7 3HG2 ILE 7 -11.134 0.328 5.236 75 HD11 ILE 7 1HD1 ILE 7 -14.200 1.617 2.142 76 HD12 ILE 7 2HD1 ILE 7 -14.449 2.897 3.329 77 HD13 ILE 7 3HD1 ILE 7 -14.995 1.257 3.676 78 H LYS 8 H LYS 8 -11.934 -2.156 1.508 79 HA LYS 8 HA LYS 8 -9.832 -3.669 2.466 80 HB2 LYS 8 1HB LYS 8 -12.003 -4.420 1.305 81 HB3 LYS 8 2HB LYS 8 -11.120 -4.130 -0.190 82 HG2 LYS 8 1HG LYS 8 -11.094 -6.482 0.480 83 HG3 LYS 8 2HG LYS 8 -9.478 -5.774 0.394 84 HD2 LYS 8 1HD LYS 8 -9.594 -5.375 2.832 85 HD3 LYS 8 2HD LYS 8 -11.118 -6.262 2.868 86 HE2 LYS 8 1HE LYS 8 -9.267 -7.719 3.501 87 HE3 LYS 8 2HE LYS 8 -9.984 -8.246 1.980 88 HZ1 LYS 8 1HZ LYS 8 -7.491 -6.659 2.268 89 HZ2 LYS 8 2HZ LYS 8 -8.183 -7.135 0.800 90 HZ3 LYS 8 3HZ LYS 8 -7.583 -8.297 1.866 91 H ASN 9 H ASN 9 -10.155 -1.888 -0.545 92 HA ASN 9 HA ASN 9 -7.838 -2.745 -1.788 93 HB2 ASN 9 1HB ASN 9 -9.358 -0.151 -1.912 94 HB3 ASN 9 2HB ASN 9 -7.873 -0.348 -2.821 95 HD21 ASN 9 1HD2 ASN 9 -11.140 -1.493 -2.416 96 HD22 ASN 9 2HD2 ASN 9 -11.320 -2.107 -4.010 97 H GLY 10 H GLY 10 -8.262 0.208 0.162 98 HA2 GLY 10 1HA GLY 10 -5.497 0.833 0.231 99 HA3 GLY 10 2HA GLY 10 -6.730 1.497 1.295 100 H ALA 11 H ALA 11 -7.403 -1.367 2.061 101 HA ALA 11 HA ALA 11 -5.498 -1.560 4.225 102 HB1 ALA 11 1HB ALA 11 -7.999 -1.913 4.441 103 HB2 ALA 11 2HB ALA 11 -6.969 -3.144 5.178 104 HB3 ALA 11 3HB ALA 11 -7.752 -3.463 3.631 105 H LYS 12 H LYS 12 -6.107 -3.052 1.160 106 HA LYS 12 HA LYS 12 -4.429 -5.337 1.732 107 HB2 LYS 12 1HB LYS 12 -6.279 -5.937 0.483 108 HB3 LYS 12 2HB LYS 12 -6.195 -4.500 -0.519 109 HG2 LYS 12 1HG LYS 12 -3.996 -6.493 -0.700 110 HG3 LYS 12 2HG LYS 12 -5.554 -6.855 -1.460 111 HD2 LYS 12 1HD LYS 12 -5.381 -4.517 -2.443 112 HD3 LYS 12 2HD LYS 12 -3.690 -4.572 -1.986 113 HE2 LYS 12 1HE LYS 12 -5.134 -6.446 -3.862 114 HE3 LYS 12 2HE LYS 12 -3.905 -5.260 -4.294 115 HZ1 LYS 12 1HZ LYS 12 -3.048 -7.541 -4.182 116 HZ2 LYS 12 2HZ LYS 12 -3.437 -7.611 -2.541 117 HZ3 LYS 12 3HZ LYS 12 -2.273 -6.516 -3.087 118 H LYS 13 H LYS 13 -4.326 -2.397 -0.230 119 HA LYS 13 HA LYS 13 -1.684 -2.976 -1.181 120 HB2 LYS 13 1HB LYS 13 -1.747 -0.761 -2.166 121 HB3 LYS 13 2HB LYS 13 -3.247 -1.615 -2.524 122 HG2 LYS 13 1HG LYS 13 -4.470 -0.088 -1.490 123 HG3 LYS 13 2HG LYS 13 -3.455 -0.148 -0.058 124 HD2 LYS 13 1HD LYS 13 -1.871 1.395 -1.139 125 HD3 LYS 13 2HD LYS 13 -2.954 1.494 -2.537 126 HE2 LYS 13 1HE LYS 13 -4.684 2.468 -1.229 127 HE3 LYS 13 2HE LYS 13 -3.818 2.134 0.271 128 HZ1 LYS 13 1HZ LYS 13 -2.883 4.006 -1.842 129 HZ2 LYS 13 2HZ LYS 13 -2.169 3.760 -0.330 130 HZ3 LYS 13 3HZ LYS 13 -3.695 4.476 -0.438 131 H ALA 14 H ALA 14 -2.959 -1.843 1.736 132 HA ALA 14 HA ALA 14 -0.845 -0.099 2.487 133 HB1 ALA 14 1HB ALA 14 -2.502 -1.930 4.231 134 HB2 ALA 14 2HB ALA 14 -2.921 -0.272 3.794 135 HB3 ALA 14 3HB ALA 14 -1.508 -0.590 4.802 136 H LEU 15 H LEU 15 -1.178 -3.446 2.093 137 HA LEU 15 HA LEU 15 1.399 -4.109 3.275 138 HB2 LEU 15 1HB LEU 15 -0.358 -5.906 1.629 139 HB3 LEU 15 2HB LEU 15 0.765 -6.340 2.899 140 HG LEU 15 HG LEU 15 -1.709 -4.742 3.446 141 HD11 LEU 15 1HD1 LEU 15 -2.493 -6.775 2.457 142 HD12 LEU 15 2HD1 LEU 15 -2.713 -6.898 4.204 143 HD13 LEU 15 3HD1 LEU 15 -1.373 -7.739 3.424 144 HD21 LEU 15 1HD2 LEU 15 -0.002 -4.671 5.170 145 HD22 LEU 15 2HD2 LEU 15 0.086 -6.433 5.190 146 HD23 LEU 15 3HD2 LEU 15 -1.383 -5.616 5.727 147 H GLY 16 H GLY 16 -0.201 -3.692 0.195 148 HA2 GLY 16 1HA GLY 16 1.899 -4.728 -1.440 149 HA3 GLY 16 2HA GLY 16 0.512 -3.777 -1.974 150 H VAL 17 H VAL 17 0.714 -1.493 -0.716 151 HA VAL 17 HA VAL 17 2.712 -0.181 -2.278 152 HB VAL 17 HB VAL 17 0.393 0.645 -1.477 153 HG11 VAL 17 1HG1 VAL 17 0.486 0.634 0.819 154 HG12 VAL 17 2HG1 VAL 17 0.693 2.341 0.410 155 HG13 VAL 17 3HG1 VAL 17 2.093 1.366 0.860 156 HG21 VAL 17 1HG2 VAL 17 1.812 1.899 -2.981 157 HG22 VAL 17 2HG2 VAL 17 2.773 2.482 -1.621 158 HG23 VAL 17 3HG2 VAL 17 1.092 2.986 -1.793 159 H ALA 18 H ALA 18 2.509 -1.260 0.970 160 HA ALA 18 HA ALA 18 4.675 0.108 2.103 161 HB1 ALA 18 1HB ALA 18 3.833 -2.744 2.636 162 HB2 ALA 18 2HB ALA 18 3.150 -1.312 3.406 163 HB3 ALA 18 3HB ALA 18 4.837 -1.743 3.684 164 H SER 19 H SER 19 4.566 -2.468 -0.218 165 HA SER 19 HA SER 19 7.430 -2.991 0.005 166 HB2 SER 19 1HB SER 19 5.400 -4.204 -1.872 167 HB3 SER 19 2HB SER 19 7.020 -4.812 -1.536 168 HG SER 19 HG SER 19 5.592 -4.515 0.747 169 H LYS 20 H LYS 20 5.644 -0.661 -1.192 170 HA LYS 20 HA LYS 20 7.134 -0.417 -3.690 171 HB2 LYS 20 1HB LYS 20 4.406 0.436 -2.875 172 HB3 LYS 20 2HB LYS 20 5.271 1.438 -4.023 173 HG2 LYS 20 1HG LYS 20 3.744 -0.202 -5.077 174 HG3 LYS 20 2HG LYS 20 5.420 -0.362 -5.593 175 HD2 LYS 20 1HD LYS 20 5.724 -2.246 -4.085 176 HD3 LYS 20 2HD LYS 20 4.075 -2.064 -3.494 177 HE2 LYS 20 1HE LYS 20 4.813 -2.668 -6.354 178 HE3 LYS 20 2HE LYS 20 4.353 -3.882 -5.163 179 HZ1 LYS 20 1HZ LYS 20 2.481 -3.271 -6.534 180 HZ2 LYS 20 2HZ LYS 20 2.650 -1.645 -6.111 181 HZ3 LYS 20 3HZ LYS 20 2.205 -2.779 -4.941 182 H VAL 21 H VAL 21 7.479 0.295 -0.684 183 HA VAL 21 HA VAL 21 8.515 2.990 -1.136 184 HB VAL 21 HB VAL 21 7.590 3.864 0.881 185 HG11 VAL 21 1HG1 VAL 21 5.396 2.328 -0.471 186 HG12 VAL 21 2HG1 VAL 21 6.085 3.846 -1.058 187 HG13 VAL 21 3HG1 VAL 21 5.213 3.806 0.476 188 HG21 VAL 21 1HG2 VAL 21 6.636 1.071 1.452 189 HG22 VAL 21 2HG2 VAL 21 6.037 2.493 2.309 190 HG23 VAL 21 3HG2 VAL 21 7.743 2.059 2.409 191 H ALA 22 H ALA 22 8.440 0.092 0.879 192 HA ALA 22 HA ALA 22 10.610 0.802 2.532 193 HB1 ALA 22 1HB ALA 22 9.126 -1.682 1.902 194 HB2 ALA 22 2HB ALA 22 9.348 -0.862 3.450 195 HB3 ALA 22 3HB ALA 22 10.660 -1.822 2.762 196 HA PRO 23 HA PRO 23 13.360 -1.803 -0.398 197 HB2 PRO 23 1HB PRO 23 12.042 -1.947 -2.984 198 HB3 PRO 23 2HB PRO 23 12.656 -3.260 -1.977 199 HG2 PRO 23 1HG PRO 23 10.013 -2.824 -2.402 200 HG3 PRO 23 2HG PRO 23 10.647 -3.560 -0.919 201 HD2 PRO 23 1HD PRO 23 9.755 -0.750 -1.420 202 HD3 PRO 23 2HD PRO 23 9.493 -1.774 0.002 203 H VAL 24 H VAL 24 11.401 0.825 -1.538 204 HA VAL 24 HA VAL 24 13.393 1.761 -3.383 205 HB VAL 24 HB VAL 24 12.025 3.573 -3.916 206 HG11 VAL 24 1HG1 VAL 24 10.344 1.212 -3.200 207 HG12 VAL 24 2HG1 VAL 24 11.109 1.563 -4.747 208 HG13 VAL 24 3HG1 VAL 24 9.761 2.553 -4.182 209 HG21 VAL 24 1HG2 VAL 24 10.533 3.142 -1.340 210 HG22 VAL 24 2HG2 VAL 24 10.044 4.260 -2.613 211 HG23 VAL 24 3HG2 VAL 24 11.565 4.510 -1.756 212 H VAL 25 H VAL 25 12.303 2.679 -0.133 213 HA VAL 25 HA VAL 25 14.203 4.759 0.215 214 HB VAL 25 HB VAL 25 12.766 3.074 2.272 215 HG11 VAL 25 1HG1 VAL 25 14.827 4.215 3.122 216 HG12 VAL 25 2HG1 VAL 25 13.338 4.756 3.895 217 HG13 VAL 25 3HG1 VAL 25 14.106 5.757 2.662 218 HG21 VAL 25 1HG2 VAL 25 11.695 4.783 0.477 219 HG22 VAL 25 2HG2 VAL 25 12.024 5.888 1.817 220 HG23 VAL 25 3HG2 VAL 25 11.005 4.469 2.071 221 H ALA 26 H ALA 26 14.293 1.374 0.451 222 HA ALA 26 HA ALA 26 16.741 1.147 1.867 223 HB1 ALA 26 1HB ALA 26 14.866 -0.522 1.374 224 HB2 ALA 26 2HB ALA 26 16.534 -1.110 1.443 225 HB3 ALA 26 3HB ALA 26 15.749 -0.847 -0.120 226 H ALA 27 H ALA 27 15.979 2.398 -1.103 227 HA ALA 27 HA ALA 27 18.725 2.021 -2.102 228 HB1 ALA 27 1HB ALA 27 16.195 2.758 -3.587 229 HB2 ALA 27 2HB ALA 27 17.063 1.221 -3.670 230 HB3 ALA 27 3HB ALA 27 17.807 2.688 -4.307 231 H PHE 28 H PHE 28 16.349 4.272 -0.994 232 HA PHE 28 HA PHE 28 17.741 6.613 -1.952 233 HB2 PHE 28 1HB PHE 28 15.246 6.130 -0.384 234 HB3 PHE 28 2HB PHE 28 15.931 7.738 -0.452 235 HD1 PHE 28 HD1 PHE 28 13.985 5.268 -2.010 236 HD2 PHE 28 HD2 PHE 28 16.208 8.795 -2.769 237 HE1 PHE 28 HE1 PHE 28 12.817 5.527 -4.104 238 HE2 PHE 28 HE2 PHE 28 15.022 9.085 -4.912 239 HZ PHE 28 HZ PHE 28 13.310 7.439 -5.589 240 H ALA 29 H ALA 29 17.400 4.778 0.967 241 HA ALA 29 HA ALA 29 18.906 6.740 2.509 242 HB1 ALA 29 1HB ALA 29 17.316 4.298 3.198 243 HB2 ALA 29 2HB ALA 29 17.063 5.966 3.718 244 HB3 ALA 29 3HB ALA 29 18.412 5.034 4.370 245 H ARG 30 H ARG 30 19.018 3.229 1.809 246 HA ARG 30 HA ARG 30 21.866 3.275 2.507 247 HB2 ARG 30 1HB ARG 30 20.113 0.860 2.029 248 HB3 ARG 30 2HB ARG 30 21.743 0.864 2.682 249 HG2 ARG 30 1HG ARG 30 20.622 0.678 4.626 250 HG3 ARG 30 2HG ARG 30 20.573 2.436 4.487 251 HD2 ARG 30 1HD ARG 30 18.370 1.693 5.029 252 HD3 ARG 30 2HD ARG 30 18.364 2.202 3.339 253 HE ARG 30 HE ARG 30 18.681 -0.305 2.896 254 HH11 ARG 30 1HH1 ARG 30 16.809 1.047 5.529 255 HH12 ARG 30 2HH1 ARG 30 15.776 -0.338 5.674 256 HH21 ARG 30 1HH2 ARG 30 17.321 -2.134 3.092 257 HH22 ARG 30 2HH2 ARG 30 16.056 -2.136 4.281 Start of MODEL 13 1 H1 LYS 1 1H LYS 1 -19.855 9.691 -2.429 2 H2 LYS 1 2H LYS 1 -20.981 9.804 -1.177 3 H3 LYS 1 3H LYS 1 -21.487 9.970 -2.779 4 HA LYS 1 HA LYS 1 -22.078 7.811 -1.903 5 HB2 LYS 1 1HB LYS 1 -19.877 7.737 -3.981 6 HB3 LYS 1 2HB LYS 1 -21.006 6.427 -3.661 7 HG2 LYS 1 1HG LYS 1 -21.794 9.178 -4.592 8 HG3 LYS 1 2HG LYS 1 -21.591 7.778 -5.642 9 HD2 LYS 1 1HD LYS 1 -23.377 6.614 -4.514 10 HD3 LYS 1 2HD LYS 1 -23.520 7.910 -3.327 11 HE2 LYS 1 1HE LYS 1 -24.007 8.208 -6.286 12 HE3 LYS 1 2HE LYS 1 -25.265 7.995 -5.073 13 HZ1 LYS 1 1HZ LYS 1 -24.484 10.060 -4.015 14 HZ2 LYS 1 2HZ LYS 1 -25.039 10.307 -5.591 15 HZ3 LYS 1 3HZ LYS 1 -23.379 10.277 -5.279 16 H ILE 2 H ILE 2 -21.568 6.023 -0.738 17 HA ILE 2 HA ILE 2 -19.040 6.153 0.700 18 HB ILE 2 HB ILE 2 -21.539 4.525 1.193 19 HG12 ILE 2 1HG1 ILE 2 -21.452 5.837 3.391 20 HG13 ILE 2 2HG1 ILE 2 -20.261 6.867 2.607 21 HG21 ILE 2 1HG2 ILE 2 -19.377 3.352 1.709 22 HG22 ILE 2 2HG2 ILE 2 -20.504 3.522 3.056 23 HG23 ILE 2 3HG2 ILE 2 -19.098 4.583 2.943 24 HD11 ILE 2 1HD1 ILE 2 -21.901 7.466 0.905 25 HD12 ILE 2 2HD1 ILE 2 -22.476 7.851 2.527 26 HD13 ILE 2 3HD1 ILE 2 -23.090 6.427 1.689 27 H ASN 3 H ASN 3 -17.402 4.856 0.219 28 HA ASN 3 HA ASN 3 -17.996 2.371 -1.242 29 HB2 ASN 3 1HB ASN 3 -16.881 3.957 -2.696 30 HB3 ASN 3 2HB ASN 3 -15.592 4.160 -1.520 31 HD21 ASN 3 1HD2 ASN 3 -14.069 3.531 -3.081 32 HD22 ASN 3 2HD2 ASN 3 -13.883 1.874 -3.546 33 H LYS 4 H LYS 4 -17.804 0.813 0.121 34 HA LYS 4 HA LYS 4 -15.950 0.939 2.358 35 HB2 LYS 4 1HB LYS 4 -18.093 -1.070 1.620 36 HB3 LYS 4 2HB LYS 4 -17.078 -1.190 3.049 37 HG2 LYS 4 1HG LYS 4 -18.974 1.071 2.452 38 HG3 LYS 4 2HG LYS 4 -19.296 -0.278 3.542 39 HD2 LYS 4 1HD LYS 4 -17.345 0.400 4.902 40 HD3 LYS 4 2HD LYS 4 -17.117 1.784 3.834 41 HE2 LYS 4 1HE LYS 4 -18.309 2.379 5.904 42 HE3 LYS 4 2HE LYS 4 -19.271 2.677 4.459 43 HZ1 LYS 4 1HZ LYS 4 -19.527 0.319 6.245 44 HZ2 LYS 4 2HZ LYS 4 -20.464 0.617 4.868 45 HZ3 LYS 4 3HZ LYS 4 -20.579 1.644 6.206 46 H GLN 5 H GLN 5 -16.217 -0.395 -0.770 47 HA GLN 5 HA GLN 5 -14.443 -2.568 -0.504 48 HB2 GLN 5 1HB GLN 5 -15.867 -2.157 -2.498 49 HB3 GLN 5 2HB GLN 5 -14.852 -0.780 -2.899 50 HG2 GLN 5 1HG GLN 5 -14.274 -2.713 -4.243 51 HG3 GLN 5 2HG GLN 5 -12.944 -2.240 -3.188 52 HE21 GLN 5 1HE2 GLN 5 -12.020 -4.291 -3.329 53 HE22 GLN 5 2HE2 GLN 5 -12.686 -5.657 -2.502 54 H LYS 6 H LYS 6 -13.998 0.871 -1.061 55 HA LYS 6 HA LYS 6 -11.297 1.107 -1.512 56 HB2 LYS 6 1HB LYS 6 -12.491 3.080 -1.584 57 HB3 LYS 6 2HB LYS 6 -13.250 2.777 -0.035 58 HG2 LYS 6 1HG LYS 6 -11.281 3.327 1.146 59 HG3 LYS 6 2HG LYS 6 -10.315 3.317 -0.321 60 HD2 LYS 6 1HD LYS 6 -10.636 5.586 0.154 61 HD3 LYS 6 2HD LYS 6 -11.805 5.217 -1.109 62 HE2 LYS 6 1HE LYS 6 -12.554 5.116 1.794 63 HE3 LYS 6 2HE LYS 6 -12.576 6.630 0.896 64 HZ1 LYS 6 1HZ LYS 6 -14.745 5.658 0.888 65 HZ2 LYS 6 2HZ LYS 6 -14.159 4.195 0.288 66 HZ3 LYS 6 3HZ LYS 6 -14.121 5.582 -0.683 67 H ILE 7 H ILE 7 -12.945 0.519 1.543 68 HA ILE 7 HA ILE 7 -10.796 0.832 3.266 69 HB ILE 7 HB ILE 7 -13.241 -0.876 3.469 70 HG12 ILE 7 1HG1 ILE 7 -13.207 0.894 5.533 71 HG13 ILE 7 2HG1 ILE 7 -12.311 1.784 4.323 72 HG21 ILE 7 1HG2 ILE 7 -11.172 -1.854 4.654 73 HG22 ILE 7 2HG2 ILE 7 -12.651 -1.650 5.590 74 HG23 ILE 7 3HG2 ILE 7 -11.335 -0.487 5.754 75 HD11 ILE 7 1HD1 ILE 7 -14.127 1.548 2.764 76 HD12 ILE 7 2HD1 ILE 7 -14.636 2.359 4.247 77 HD13 ILE 7 3HD1 ILE 7 -15.058 0.668 3.978 78 H LYS 8 H LYS 8 -11.700 -1.985 1.297 79 HA LYS 8 HA LYS 8 -9.560 -3.565 2.452 80 HB2 LYS 8 1HB LYS 8 -11.003 -4.253 -0.083 81 HB3 LYS 8 2HB LYS 8 -10.141 -5.330 0.988 82 HG2 LYS 8 1HG LYS 8 -12.317 -5.859 1.461 83 HG3 LYS 8 2HG LYS 8 -11.968 -4.663 2.712 84 HD2 LYS 8 1HD LYS 8 -13.237 -3.038 1.702 85 HD3 LYS 8 2HD LYS 8 -13.065 -3.758 0.096 86 HE2 LYS 8 1HE LYS 8 -14.685 -4.927 2.367 87 HE3 LYS 8 2HE LYS 8 -15.358 -3.952 1.064 88 HZ1 LYS 8 1HZ LYS 8 -13.934 -6.534 0.691 89 HZ2 LYS 8 2HZ LYS 8 -14.676 -5.615 -0.522 90 HZ3 LYS 8 3HZ LYS 8 -15.614 -6.341 0.684 91 H ASN 9 H ASN 9 -10.008 -1.386 -0.165 92 HA ASN 9 HA ASN 9 -7.879 -2.265 -1.776 93 HB2 ASN 9 1HB ASN 9 -9.194 0.425 -1.456 94 HB3 ASN 9 2HB ASN 9 -7.795 0.223 -2.497 95 HD21 ASN 9 1HD2 ASN 9 -11.094 -0.726 -1.957 96 HD22 ASN 9 2HD2 ASN 9 -11.457 -1.091 -3.597 97 H GLY 10 H GLY 10 -8.058 0.415 0.545 98 HA2 GLY 10 1HA GLY 10 -5.307 0.935 0.678 99 HA3 GLY 10 2HA GLY 10 -6.480 1.338 1.925 100 H ALA 11 H ALA 11 -7.344 -1.264 2.535 101 HA ALA 11 HA ALA 11 -5.371 -2.087 4.369 102 HB1 ALA 11 1HB ALA 11 -7.879 -2.433 4.505 103 HB2 ALA 11 2HB ALA 11 -6.864 -3.791 4.997 104 HB3 ALA 11 3HB ALA 11 -7.644 -3.802 3.415 105 H LYS 12 H LYS 12 -6.051 -3.015 1.074 106 HA LYS 12 HA LYS 12 -4.470 -5.429 1.232 107 HB2 LYS 12 1HB LYS 12 -6.264 -5.723 -0.179 108 HB3 LYS 12 2HB LYS 12 -6.115 -4.116 -0.872 109 HG2 LYS 12 1HG LYS 12 -3.932 -6.074 -1.368 110 HG3 LYS 12 2HG LYS 12 -5.466 -6.267 -2.233 111 HD2 LYS 12 1HD LYS 12 -5.285 -3.848 -2.824 112 HD3 LYS 12 2HD LYS 12 -3.650 -3.874 -2.199 113 HE2 LYS 12 1HE LYS 12 -3.544 -4.170 -4.580 114 HE3 LYS 12 2HE LYS 12 -3.121 -5.696 -3.811 115 HZ1 LYS 12 1HZ LYS 12 -5.793 -5.035 -4.923 116 HZ2 LYS 12 2HZ LYS 12 -5.331 -6.517 -4.251 117 HZ3 LYS 12 3HZ LYS 12 -4.628 -5.987 -5.693 118 H LYS 13 H LYS 13 -4.168 -2.215 -0.170 119 HA LYS 13 HA LYS 13 -1.551 -2.869 -1.203 120 HB2 LYS 13 1HB LYS 13 -1.566 -0.619 -2.125 121 HB3 LYS 13 2HB LYS 13 -3.052 -1.470 -2.544 122 HG2 LYS 13 1HG LYS 13 -4.335 -0.054 -1.400 123 HG3 LYS 13 2HG LYS 13 -3.213 0.020 -0.049 124 HD2 LYS 13 1HD LYS 13 -1.809 1.584 -1.287 125 HD3 LYS 13 2HD LYS 13 -2.934 1.514 -2.649 126 HE2 LYS 13 1HE LYS 13 -3.843 2.237 0.103 127 HE3 LYS 13 2HE LYS 13 -3.166 3.460 -0.983 128 HZ1 LYS 13 1HZ LYS 13 -4.881 2.881 -2.605 129 HZ2 LYS 13 2HZ LYS 13 -5.567 3.399 -1.151 130 HZ3 LYS 13 3HZ LYS 13 -5.541 1.755 -1.531 131 H ALA 14 H ALA 14 -2.763 -1.844 1.767 132 HA ALA 14 HA ALA 14 -0.593 -0.152 2.506 133 HB1 ALA 14 1HB ALA 14 -2.245 -1.988 4.257 134 HB2 ALA 14 2HB ALA 14 -2.636 -0.309 3.878 135 HB3 ALA 14 3HB ALA 14 -1.198 -0.688 4.828 136 H LEU 15 H LEU 15 -1.053 -3.471 2.029 137 HA LEU 15 HA LEU 15 1.532 -4.230 3.131 138 HB2 LEU 15 1HB LEU 15 -0.285 -6.007 1.546 139 HB3 LEU 15 2HB LEU 15 0.783 -6.423 2.873 140 HG LEU 15 HG LEU 15 -1.648 -4.716 3.265 141 HD11 LEU 15 1HD1 LEU 15 -2.478 -6.768 2.357 142 HD12 LEU 15 2HD1 LEU 15 -2.758 -6.787 4.098 143 HD13 LEU 15 3HD1 LEU 15 -1.428 -7.719 3.409 144 HD21 LEU 15 1HD2 LEU 15 0.004 -4.609 5.030 145 HD22 LEU 15 2HD2 LEU 15 0.036 -6.368 5.141 146 HD23 LEU 15 3HD2 LEU 15 -1.420 -5.483 5.591 147 H GLY 16 H GLY 16 -0.104 -3.574 0.150 148 HA2 GLY 16 1HA GLY 16 1.912 -4.687 -1.574 149 HA3 GLY 16 2HA GLY 16 0.523 -3.714 -2.054 150 H VAL 17 H VAL 17 0.795 -1.433 -0.786 151 HA VAL 17 HA VAL 17 2.811 -0.185 -2.386 152 HB VAL 17 HB VAL 17 0.484 0.692 -1.656 153 HG11 VAL 17 1HG1 VAL 17 0.543 0.787 0.639 154 HG12 VAL 17 2HG1 VAL 17 0.785 2.471 0.156 155 HG13 VAL 17 3HG1 VAL 17 2.162 1.494 0.672 156 HG21 VAL 17 1HG2 VAL 17 1.938 1.856 -3.198 157 HG22 VAL 17 2HG2 VAL 17 2.892 2.489 -1.855 158 HG23 VAL 17 3HG2 VAL 17 1.221 3.010 -2.072 159 H ALA 18 H ALA 18 2.544 -1.139 0.921 160 HA ALA 18 HA ALA 18 4.733 0.266 1.978 161 HB1 ALA 18 1HB ALA 18 3.837 -2.537 2.662 162 HB2 ALA 18 2HB ALA 18 3.232 -1.048 3.391 163 HB3 ALA 18 3HB ALA 18 4.910 -1.532 3.635 164 H SER 19 H SER 19 4.558 -2.432 -0.186 165 HA SER 19 HA SER 19 7.395 -3.029 0.025 166 HB2 SER 19 1HB SER 19 5.261 -4.176 -1.779 167 HB3 SER 19 2HB SER 19 6.895 -4.811 -1.587 168 HG SER 19 HG SER 19 5.673 -4.550 0.816 169 H LYS 20 H LYS 20 5.654 -0.669 -1.250 170 HA LYS 20 HA LYS 20 7.235 -0.500 -3.696 171 HB2 LYS 20 1HB LYS 20 4.479 0.357 -3.024 172 HB3 LYS 20 2HB LYS 20 5.394 1.387 -4.106 173 HG2 LYS 20 1HG LYS 20 3.952 -0.220 -5.287 174 HG3 LYS 20 2HG LYS 20 5.659 -0.408 -5.685 175 HD2 LYS 20 1HD LYS 20 5.828 -2.323 -4.226 176 HD3 LYS 20 2HD LYS 20 4.170 -2.095 -3.670 177 HE2 LYS 20 1HE LYS 20 5.005 -2.730 -6.500 178 HE3 LYS 20 2HE LYS 20 4.357 -3.889 -5.342 179 HZ1 LYS 20 1HZ LYS 20 2.929 -1.510 -6.407 180 HZ2 LYS 20 2HZ LYS 20 2.306 -2.591 -5.267 181 HZ3 LYS 20 3HZ LYS 20 2.639 -3.120 -6.836 182 H VAL 21 H VAL 21 7.372 0.352 -0.660 183 HA VAL 21 HA VAL 21 8.467 3.007 -1.220 184 HB VAL 21 HB VAL 21 7.459 3.982 0.710 185 HG11 VAL 21 1HG1 VAL 21 5.331 2.413 -0.701 186 HG12 VAL 21 2HG1 VAL 21 6.062 3.906 -1.302 187 HG13 VAL 21 3HG1 VAL 21 5.103 3.927 0.180 188 HG21 VAL 21 1HG2 VAL 21 6.484 1.220 1.359 189 HG22 VAL 21 2HG2 VAL 21 5.790 2.669 2.092 190 HG23 VAL 21 3HG2 VAL 21 7.494 2.284 2.342 191 H ALA 22 H ALA 22 8.340 0.186 0.862 192 HA ALA 22 HA ALA 22 10.464 1.015 2.566 193 HB1 ALA 22 1HB ALA 22 8.943 -1.485 2.096 194 HB2 ALA 22 2HB ALA 22 9.159 -0.560 3.586 195 HB3 ALA 22 3HB ALA 22 10.463 -1.589 2.987 196 HA PRO 23 HA PRO 23 13.209 -1.865 -0.099 197 HB2 PRO 23 1HB PRO 23 11.932 -2.160 -2.700 198 HB3 PRO 23 2HB PRO 23 12.510 -3.413 -1.601 199 HG2 PRO 23 1HG PRO 23 9.883 -2.977 -2.085 200 HG3 PRO 23 2HG PRO 23 10.486 -3.600 -0.540 201 HD2 PRO 23 1HD PRO 23 9.649 -0.823 -1.279 202 HD3 PRO 23 2HD PRO 23 9.338 -1.726 0.213 203 H VAL 24 H VAL 24 11.326 0.696 -1.488 204 HA VAL 24 HA VAL 24 13.356 1.464 -3.358 205 HB VAL 24 HB VAL 24 12.023 3.271 -4.030 206 HG11 VAL 24 1HG1 VAL 24 10.262 1.009 -3.188 207 HG12 VAL 24 2HG1 VAL 24 11.136 1.161 -4.712 208 HG13 VAL 24 3HG1 VAL 24 9.797 2.253 -4.346 209 HG21 VAL 24 1HG2 VAL 24 10.466 2.987 -1.470 210 HG22 VAL 24 2HG2 VAL 24 10.023 4.044 -2.809 211 HG23 VAL 24 3HG2 VAL 24 11.522 4.325 -1.924 212 H VAL 25 H VAL 25 12.230 2.700 -0.218 213 HA VAL 25 HA VAL 25 14.177 4.765 -0.040 214 HB VAL 25 HB VAL 25 12.571 3.360 2.102 215 HG11 VAL 25 1HG1 VAL 25 14.681 4.464 2.930 216 HG12 VAL 25 2HG1 VAL 25 13.192 5.109 3.616 217 HG13 VAL 25 3HG1 VAL 25 14.035 5.996 2.347 218 HG21 VAL 25 1HG2 VAL 25 11.632 4.880 0.137 219 HG22 VAL 25 2HG2 VAL 25 12.104 6.169 1.246 220 HG23 VAL 25 3HG2 VAL 25 10.953 4.937 1.763 221 H ALA 26 H ALA 26 14.142 1.428 0.572 222 HA ALA 26 HA ALA 26 16.576 1.280 2.020 223 HB1 ALA 26 1HB ALA 26 14.621 -0.370 1.680 224 HB2 ALA 26 2HB ALA 26 16.267 -0.991 1.902 225 HB3 ALA 26 3HB ALA 26 15.559 -0.915 0.282 226 H ALA 27 H ALA 27 15.962 2.379 -0.980 227 HA ALA 27 HA ALA 27 18.707 1.793 -1.860 228 HB1 ALA 27 1HB ALA 27 16.243 2.197 -3.573 229 HB2 ALA 27 2HB ALA 27 17.136 0.688 -3.347 230 HB3 ALA 27 3HB ALA 27 17.893 2.040 -4.187 231 H PHE 28 H PHE 28 16.364 4.129 -1.022 232 HA PHE 28 HA PHE 28 17.808 6.321 -2.268 233 HB2 PHE 28 1HB PHE 28 15.226 6.077 -0.779 234 HB3 PHE 28 2HB PHE 28 15.940 7.651 -1.049 235 HD1 PHE 28 HD1 PHE 28 13.995 5.030 -2.300 236 HD2 PHE 28 HD2 PHE 28 16.384 8.314 -3.505 237 HE1 PHE 28 HE1 PHE 28 12.947 4.971 -4.469 238 HE2 PHE 28 HE2 PHE 28 15.316 8.280 -5.726 239 HZ PHE 28 HZ PHE 28 13.580 6.597 -6.221 240 H ALA 29 H ALA 29 17.387 4.794 0.809 241 HA ALA 29 HA ALA 29 18.811 7.003 2.122 242 HB1 ALA 29 1HB ALA 29 16.783 5.048 3.150 243 HB2 ALA 29 2HB ALA 29 16.663 6.808 3.066 244 HB3 ALA 29 3HB ALA 29 17.766 6.052 4.218 245 H ARG 30 H ARG 30 18.550 3.433 2.050 246 HA ARG 30 HA ARG 30 21.317 3.281 2.898 247 HB2 ARG 30 1HB ARG 30 20.478 1.500 4.652 248 HB3 ARG 30 2HB ARG 30 20.558 3.207 5.036 249 HG2 ARG 30 1HG ARG 30 18.504 2.506 5.880 250 HG3 ARG 30 2HG ARG 30 18.115 3.330 4.372 251 HD2 ARG 30 1HD ARG 30 18.061 1.096 3.261 252 HD3 ARG 30 2HD ARG 30 18.248 0.360 4.851 253 HE ARG 30 HE ARG 30 16.029 2.207 4.557 254 HH11 ARG 30 1HH1 ARG 30 17.111 -1.124 4.511 255 HH12 ARG 30 2HH1 ARG 30 15.521 -1.775 4.756 256 HH21 ARG 30 1HH2 ARG 30 13.934 1.352 4.891 257 HH22 ARG 30 2HH2 ARG 30 13.721 -0.369 4.975 Start of MODEL 14 1 H1 LYS 1 1H LYS 1 -23.037 9.725 0.500 2 H2 LYS 1 2H LYS 1 -22.601 9.123 2.018 3 H3 LYS 1 3H LYS 1 -22.427 8.156 0.643 4 HA LYS 1 HA LYS 1 -20.756 9.619 -0.240 5 HB2 LYS 1 1HB LYS 1 -19.866 11.446 1.111 6 HB3 LYS 1 2HB LYS 1 -21.575 11.697 0.786 7 HG2 LYS 1 1HG LYS 1 -22.165 11.028 3.002 8 HG3 LYS 1 2HG LYS 1 -20.509 10.528 3.344 9 HD2 LYS 1 1HD LYS 1 -21.361 13.352 2.710 10 HD3 LYS 1 2HD LYS 1 -21.106 12.722 4.337 11 HE2 LYS 1 1HE LYS 1 -18.759 12.176 3.671 12 HE3 LYS 1 2HE LYS 1 -19.056 13.008 2.145 13 HZ1 LYS 1 1HZ LYS 1 -17.969 14.456 3.739 14 HZ2 LYS 1 2HZ LYS 1 -19.230 14.233 4.844 15 HZ3 LYS 1 3HZ LYS 1 -19.518 15.031 3.386 16 H ILE 2 H ILE 2 -21.331 7.362 1.914 17 HA ILE 2 HA ILE 2 -18.688 7.315 3.146 18 HB ILE 2 HB ILE 2 -21.150 5.640 3.656 19 HG12 ILE 2 1HG1 ILE 2 -19.739 7.682 5.388 20 HG13 ILE 2 2HG1 ILE 2 -21.234 7.966 4.505 21 HG21 ILE 2 1HG2 ILE 2 -19.023 4.395 3.909 22 HG22 ILE 2 2HG2 ILE 2 -19.948 4.538 5.405 23 HG23 ILE 2 3HG2 ILE 2 -18.530 5.558 5.141 24 HD11 ILE 2 1HD1 ILE 2 -22.360 6.282 5.843 25 HD12 ILE 2 2HD1 ILE 2 -21.641 7.525 6.866 26 HD13 ILE 2 3HD1 ILE 2 -20.860 5.952 6.708 27 H ASN 3 H ASN 3 -17.143 6.025 2.411 28 HA ASN 3 HA ASN 3 -17.877 3.856 0.560 29 HB2 ASN 3 1HB ASN 3 -16.478 5.694 -0.391 30 HB3 ASN 3 2HB ASN 3 -15.232 5.312 0.785 31 HD21 ASN 3 1HD2 ASN 3 -15.032 5.307 -2.075 32 HD22 ASN 3 2HD2 ASN 3 -14.603 3.700 -2.544 33 H LYS 4 H LYS 4 -17.394 1.840 1.162 34 HA LYS 4 HA LYS 4 -15.651 1.477 3.501 35 HB2 LYS 4 1HB LYS 4 -17.951 -0.214 2.521 36 HB3 LYS 4 2HB LYS 4 -16.836 -0.727 3.779 37 HG2 LYS 4 1HG LYS 4 -18.704 1.631 3.873 38 HG3 LYS 4 2HG LYS 4 -18.830 0.131 4.796 39 HD2 LYS 4 1HD LYS 4 -16.625 0.676 5.840 40 HD3 LYS 4 2HD LYS 4 -16.684 2.235 5.013 41 HE2 LYS 4 1HE LYS 4 -17.445 2.430 7.325 42 HE3 LYS 4 2HE LYS 4 -18.744 2.796 6.191 43 HZ1 LYS 4 1HZ LYS 4 -19.652 0.604 6.547 44 HZ2 LYS 4 2HZ LYS 4 -19.485 1.394 8.031 45 HZ3 LYS 4 3HZ LYS 4 -18.377 0.195 7.581 46 H GLN 5 H GLN 5 -16.340 0.424 0.236 47 HA GLN 5 HA GLN 5 -14.690 -1.833 0.119 48 HB2 GLN 5 1HB GLN 5 -16.350 -1.150 -1.615 49 HB3 GLN 5 2HB GLN 5 -15.251 0.133 -2.095 50 HG2 GLN 5 1HG GLN 5 -15.149 -1.827 -3.573 51 HG3 GLN 5 2HG GLN 5 -13.606 -1.457 -2.808 52 HE21 GLN 5 1HE2 GLN 5 -12.723 -2.888 -1.350 53 HE22 GLN 5 2HE2 GLN 5 -13.357 -4.480 -1.102 54 H LYS 6 H LYS 6 -14.015 1.560 -0.560 55 HA LYS 6 HA LYS 6 -11.376 1.454 -1.438 56 HB2 LYS 6 1HB LYS 6 -12.392 3.507 -1.593 57 HB3 LYS 6 2HB LYS 6 -13.036 3.408 0.036 58 HG2 LYS 6 1HG LYS 6 -10.889 3.862 0.974 59 HG3 LYS 6 2HG LYS 6 -10.130 3.795 -0.612 60 HD2 LYS 6 1HD LYS 6 -11.450 5.694 -1.324 61 HD3 LYS 6 2HD LYS 6 -12.223 5.774 0.259 62 HE2 LYS 6 1HE LYS 6 -9.942 6.082 1.253 63 HE3 LYS 6 2HE LYS 6 -9.316 6.240 -0.388 64 HZ1 LYS 6 1HZ LYS 6 -9.744 8.393 0.615 65 HZ2 LYS 6 2HZ LYS 6 -11.367 7.990 0.859 66 HZ3 LYS 6 3HZ LYS 6 -10.761 8.149 -0.713 67 H ILE 7 H ILE 7 -12.731 1.236 1.726 68 HA ILE 7 HA ILE 7 -10.472 1.752 3.272 69 HB ILE 7 HB ILE 7 -13.082 0.457 3.787 70 HG12 ILE 7 1HG1 ILE 7 -13.385 2.361 5.147 71 HG13 ILE 7 2HG1 ILE 7 -11.694 2.769 5.147 72 HG21 ILE 7 1HG2 ILE 7 -11.099 -0.674 5.035 73 HG22 ILE 7 2HG2 ILE 7 -12.550 -0.219 5.927 74 HG23 ILE 7 3HG2 ILE 7 -11.110 0.800 6.002 75 HD11 ILE 7 1HD1 ILE 7 -13.570 2.946 2.802 76 HD12 ILE 7 2HD1 ILE 7 -11.873 3.421 2.818 77 HD13 ILE 7 3HD1 ILE 7 -13.041 4.295 3.804 78 H LYS 8 H LYS 8 -11.578 -1.183 1.685 79 HA LYS 8 HA LYS 8 -9.508 -2.752 3.024 80 HB2 LYS 8 1HB LYS 8 -11.152 -3.725 0.710 81 HB3 LYS 8 2HB LYS 8 -10.287 -4.680 1.893 82 HG2 LYS 8 1HG LYS 8 -12.447 -4.985 2.569 83 HG3 LYS 8 2HG LYS 8 -11.973 -3.610 3.572 84 HD2 LYS 8 1HD LYS 8 -13.126 -2.088 2.219 85 HD3 LYS 8 2HD LYS 8 -13.260 -3.241 0.889 86 HE2 LYS 8 1HE LYS 8 -14.660 -3.402 3.568 87 HE3 LYS 8 2HE LYS 8 -15.400 -2.915 2.046 88 HZ1 LYS 8 1HZ LYS 8 -14.921 -5.130 1.170 89 HZ2 LYS 8 2HZ LYS 8 -15.907 -5.204 2.541 90 HZ3 LYS 8 3HZ LYS 8 -14.266 -5.588 2.661 91 H ASN 9 H ASN 9 -10.078 -1.000 0.128 92 HA ASN 9 HA ASN 9 -8.150 -2.179 -1.505 93 HB2 ASN 9 1HB ASN 9 -9.265 0.616 -1.389 94 HB3 ASN 9 2HB ASN 9 -7.977 0.215 -2.512 95 HD21 ASN 9 1HD2 ASN 9 -11.262 -0.453 -1.600 96 HD22 ASN 9 2HD2 ASN 9 -11.787 -0.973 -3.151 97 H GLY 10 H GLY 10 -7.940 0.772 0.444 98 HA2 GLY 10 1HA GLY 10 -5.140 1.057 0.206 99 HA3 GLY 10 2HA GLY 10 -6.157 1.847 1.402 100 H ALA 11 H ALA 11 -7.124 -0.803 2.365 101 HA ALA 11 HA ALA 11 -5.040 -1.284 4.276 102 HB1 ALA 11 1HB ALA 11 -7.524 -1.411 4.734 103 HB2 ALA 11 2HB ALA 11 -6.558 -2.762 5.336 104 HB3 ALA 11 3HB ALA 11 -7.513 -2.950 3.866 105 H LYS 12 H LYS 12 -6.081 -2.693 1.281 106 HA LYS 12 HA LYS 12 -4.643 -5.157 1.704 107 HB2 LYS 12 1HB LYS 12 -6.547 -5.576 0.512 108 HB3 LYS 12 2HB LYS 12 -6.439 -4.077 -0.399 109 HG2 LYS 12 1HG LYS 12 -4.361 -6.150 -0.859 110 HG3 LYS 12 2HG LYS 12 -5.986 -6.419 -1.514 111 HD2 LYS 12 1HD LYS 12 -5.805 -4.045 -2.389 112 HD3 LYS 12 2HD LYS 12 -4.089 -4.164 -2.055 113 HE2 LYS 12 1HE LYS 12 -4.428 -4.730 -4.360 114 HE3 LYS 12 2HE LYS 12 -4.017 -6.205 -3.487 115 HZ1 LYS 12 1HZ LYS 12 -5.862 -6.515 -5.044 116 HZ2 LYS 12 2HZ LYS 12 -6.777 -5.371 -4.202 117 HZ3 LYS 12 3HZ LYS 12 -6.332 -6.818 -3.450 118 H LYS 13 H LYS 13 -4.261 -2.222 -0.208 119 HA LYS 13 HA LYS 13 -1.733 -3.141 -1.232 120 HB2 LYS 13 1HB LYS 13 -1.606 -0.950 -2.310 121 HB3 LYS 13 2HB LYS 13 -3.146 -1.736 -2.654 122 HG2 LYS 13 1HG LYS 13 -4.329 -0.164 -1.608 123 HG3 LYS 13 2HG LYS 13 -3.197 -0.073 -0.266 124 HD2 LYS 13 1HD LYS 13 -1.711 1.329 -1.594 125 HD3 LYS 13 2HD LYS 13 -2.835 1.229 -2.959 126 HE2 LYS 13 1HE LYS 13 -4.533 2.373 -1.739 127 HE3 LYS 13 2HE LYS 13 -3.601 2.270 -0.244 128 HZ1 LYS 13 1HZ LYS 13 -3.504 4.479 -1.278 129 HZ2 LYS 13 2HZ LYS 13 -2.791 3.809 -2.658 130 HZ3 LYS 13 3HZ LYS 13 -1.975 3.766 -1.178 131 H ALA 14 H ALA 14 -2.813 -1.810 1.656 132 HA ALA 14 HA ALA 14 -0.548 -0.219 2.300 133 HB1 ALA 14 1HB ALA 14 -2.255 -1.898 4.148 134 HB2 ALA 14 2HB ALA 14 -2.593 -0.230 3.686 135 HB3 ALA 14 3HB ALA 14 -1.159 -0.607 4.642 136 H LEU 15 H LEU 15 -1.167 -3.530 1.977 137 HA LEU 15 HA LEU 15 1.339 -4.398 3.150 138 HB2 LEU 15 1HB LEU 15 -0.490 -6.103 1.505 139 HB3 LEU 15 2HB LEU 15 0.499 -6.550 2.879 140 HG LEU 15 HG LEU 15 -1.874 -4.743 3.148 141 HD11 LEU 15 1HD1 LEU 15 -2.744 -6.764 2.221 142 HD12 LEU 15 2HD1 LEU 15 -3.090 -6.772 3.951 143 HD13 LEU 15 3HD1 LEU 15 -1.769 -7.750 3.311 144 HD21 LEU 15 1HD2 LEU 15 -0.267 -4.704 4.977 145 HD22 LEU 15 2HD2 LEU 15 -0.376 -6.457 5.125 146 HD23 LEU 15 3HD2 LEU 15 -1.781 -5.453 5.485 147 H GLY 16 H GLY 16 -0.193 -3.848 0.062 148 HA2 GLY 16 1HA GLY 16 1.861 -5.050 -1.535 149 HA3 GLY 16 2HA GLY 16 0.528 -4.044 -2.100 150 H VAL 17 H VAL 17 0.812 -1.735 -0.941 151 HA VAL 17 HA VAL 17 2.917 -0.596 -2.495 152 HB VAL 17 HB VAL 17 0.621 0.369 -1.827 153 HG11 VAL 17 1HG1 VAL 17 0.598 0.501 0.456 154 HG12 VAL 17 2HG1 VAL 17 0.939 2.164 -0.034 155 HG13 VAL 17 3HG1 VAL 17 2.248 1.128 0.536 156 HG21 VAL 17 1HG2 VAL 17 3.087 2.013 -2.040 157 HG22 VAL 17 2HG2 VAL 17 1.467 2.673 -2.184 158 HG23 VAL 17 3HG2 VAL 17 2.048 1.486 -3.353 159 H ALA 18 H ALA 18 2.584 -1.520 0.799 160 HA ALA 18 HA ALA 18 4.736 -0.118 1.920 161 HB1 ALA 18 1HB ALA 18 3.865 -2.929 2.584 162 HB2 ALA 18 2HB ALA 18 3.169 -1.456 3.256 163 HB3 ALA 18 3HB ALA 18 4.847 -1.875 3.599 164 H SER 19 H SER 19 4.656 -2.832 -0.237 165 HA SER 19 HA SER 19 7.505 -3.356 0.074 166 HB2 SER 19 1HB SER 19 5.478 -4.636 -1.769 167 HB3 SER 19 2HB SER 19 7.100 -5.239 -1.418 168 HG SER 19 HG SER 19 5.965 -4.958 0.911 169 H LYS 20 H LYS 20 5.778 -1.063 -1.275 170 HA LYS 20 HA LYS 20 7.385 -0.923 -3.706 171 HB2 LYS 20 1HB LYS 20 4.593 -0.125 -3.114 172 HB3 LYS 20 2HB LYS 20 5.499 0.872 -4.235 173 HG2 LYS 20 1HG LYS 20 4.132 -0.840 -5.357 174 HG3 LYS 20 2HG LYS 20 5.851 -0.998 -5.704 175 HD2 LYS 20 1HD LYS 20 6.012 -2.790 -4.035 176 HD3 LYS 20 2HD LYS 20 4.284 -2.646 -3.713 177 HE2 LYS 20 1HE LYS 20 4.647 -4.492 -5.206 178 HE3 LYS 20 2HE LYS 20 3.850 -3.194 -6.093 179 HZ1 LYS 20 1HZ LYS 20 5.616 -4.133 -7.407 180 HZ2 LYS 20 2HZ LYS 20 6.743 -3.855 -6.181 181 HZ3 LYS 20 3HZ LYS 20 6.027 -2.550 -6.979 182 H VAL 21 H VAL 21 7.493 -0.024 -0.729 183 HA VAL 21 HA VAL 21 8.498 2.663 -1.280 184 HB VAL 21 HB VAL 21 7.513 3.569 0.708 185 HG11 VAL 21 1HG1 VAL 21 5.392 2.023 -0.746 186 HG12 VAL 21 2HG1 VAL 21 6.112 3.536 -1.308 187 HG13 VAL 21 3HG1 VAL 21 5.160 3.508 0.178 188 HG21 VAL 21 1HG2 VAL 21 6.639 0.753 1.268 189 HG22 VAL 21 2HG2 VAL 21 5.835 2.141 2.012 190 HG23 VAL 21 3HG2 VAL 21 7.552 1.856 2.303 191 H ALA 22 H ALA 22 8.444 -0.176 0.796 192 HA ALA 22 HA ALA 22 10.568 0.591 2.482 193 HB1 ALA 22 1HB ALA 22 9.198 -1.956 1.808 194 HB2 ALA 22 2HB ALA 22 9.335 -1.127 3.362 195 HB3 ALA 22 3HB ALA 22 10.711 -2.022 2.713 196 HA PRO 23 HA PRO 23 13.456 -1.810 -0.474 197 HB2 PRO 23 1HB PRO 23 12.230 -2.033 -3.079 198 HB3 PRO 23 2HB PRO 23 12.813 -3.318 -2.022 199 HG2 PRO 23 1HG PRO 23 10.174 -2.877 -2.594 200 HG3 PRO 23 2HG PRO 23 10.754 -3.684 -1.127 201 HD2 PRO 23 1HD PRO 23 9.818 -0.876 -1.513 202 HD3 PRO 23 2HD PRO 23 9.574 -1.964 -0.138 203 H VAL 24 H VAL 24 11.396 0.755 -1.538 204 HA VAL 24 HA VAL 24 13.357 1.795 -3.381 205 HB VAL 24 HB VAL 24 11.900 3.552 -3.913 206 HG11 VAL 24 1HG1 VAL 24 10.394 1.038 -3.347 207 HG12 VAL 24 2HG1 VAL 24 11.130 1.553 -4.862 208 HG13 VAL 24 3HG1 VAL 24 9.698 2.382 -4.252 209 HG21 VAL 24 1HG2 VAL 24 10.402 2.962 -1.378 210 HG22 VAL 24 2HG2 VAL 24 9.803 4.021 -2.653 211 HG23 VAL 24 3HG2 VAL 24 11.285 4.432 -1.790 212 H VAL 25 H VAL 25 12.135 2.664 -0.158 213 HA VAL 25 HA VAL 25 13.925 4.828 0.256 214 HB VAL 25 HB VAL 25 12.544 3.039 2.266 215 HG11 VAL 25 1HG1 VAL 25 14.509 4.307 3.168 216 HG12 VAL 25 2HG1 VAL 25 12.971 4.739 3.914 217 HG13 VAL 25 3HG1 VAL 25 13.696 5.801 2.707 218 HG21 VAL 25 1HG2 VAL 25 11.473 4.769 0.440 219 HG22 VAL 25 2HG2 VAL 25 11.598 5.780 1.885 220 HG23 VAL 25 3HG2 VAL 25 10.693 4.263 1.942 221 H ALA 26 H ALA 26 14.208 1.452 0.427 222 HA ALA 26 HA ALA 26 16.625 1.361 1.905 223 HB1 ALA 26 1HB ALA 26 14.869 -0.414 1.279 224 HB2 ALA 26 2HB ALA 26 16.562 -0.888 1.473 225 HB3 ALA 26 3HB ALA 26 15.883 -0.665 -0.144 226 H ALA 27 H ALA 27 15.834 2.481 -1.156 227 HA ALA 27 HA ALA 27 18.623 2.292 -2.091 228 HB1 ALA 27 1HB ALA 27 16.086 2.930 -3.611 229 HB2 ALA 27 2HB ALA 27 17.011 1.426 -3.687 230 HB3 ALA 27 3HB ALA 27 17.711 2.921 -4.305 231 H PHE 28 H PHE 28 16.204 4.388 -0.868 232 HA PHE 28 HA PHE 28 17.542 6.803 -1.743 233 HB2 PHE 28 1HB PHE 28 15.012 6.220 -0.263 234 HB3 PHE 28 2HB PHE 28 15.656 7.848 -0.309 235 HD1 PHE 28 HD1 PHE 28 13.739 5.391 -1.887 236 HD2 PHE 28 HD2 PHE 28 16.063 8.850 -2.667 237 HE1 PHE 28 HE1 PHE 28 12.652 5.615 -4.034 238 HE2 PHE 28 HE2 PHE 28 14.957 9.104 -4.855 239 HZ PHE 28 HZ PHE 28 13.238 7.476 -5.549 240 H ALA 29 H ALA 29 16.784 5.136 1.274 241 HA ALA 29 HA ALA 29 18.277 6.947 2.907 242 HB1 ALA 29 1HB ALA 29 16.946 4.300 3.347 243 HB2 ALA 29 2HB ALA 29 16.525 5.878 4.018 244 HB3 ALA 29 3HB ALA 29 17.958 5.028 4.597 245 H ARG 30 H ARG 30 18.795 3.612 1.735 246 HA ARG 30 HA ARG 30 21.609 3.853 2.522 247 HB2 ARG 30 1HB ARG 30 20.070 1.414 1.611 248 HB3 ARG 30 2HB ARG 30 21.758 1.426 2.098 249 HG2 ARG 30 1HG ARG 30 20.936 0.816 4.087 250 HG3 ARG 30 2HG ARG 30 20.611 2.540 4.275 251 HD2 ARG 30 1HD ARG 30 18.625 1.339 4.856 252 HD3 ARG 30 2HD ARG 30 18.346 2.145 3.313 253 HE ARG 30 HE ARG 30 18.826 -0.061 2.265 254 HH11 ARG 30 1HH1 ARG 30 17.745 0.089 5.593 255 HH12 ARG 30 2HH1 ARG 30 17.056 -1.501 5.575 256 HH21 ARG 30 1HH2 ARG 30 17.949 -2.171 2.248 257 HH22 ARG 30 2HH2 ARG 30 17.181 -2.789 3.677 Start of MODEL 15 1 H1 LYS 1 1H LYS 1 -20.072 9.429 -2.103 2 H2 LYS 1 2H LYS 1 -19.427 10.955 -2.426 3 H3 LYS 1 3H LYS 1 -20.124 10.634 -0.922 4 HA LYS 1 HA LYS 1 -17.686 9.361 -2.001 5 HB2 LYS 1 1HB LYS 1 -18.122 11.559 0.009 6 HB3 LYS 1 2HB LYS 1 -16.652 10.595 0.000 7 HG2 LYS 1 1HG LYS 1 -17.659 12.211 -2.334 8 HG3 LYS 1 2HG LYS 1 -16.423 12.742 -1.191 9 HD2 LYS 1 1HD LYS 1 -15.064 10.765 -1.818 10 HD3 LYS 1 2HD LYS 1 -16.274 10.359 -3.034 11 HE2 LYS 1 1HE LYS 1 -15.868 12.474 -4.168 12 HE3 LYS 1 2HE LYS 1 -14.694 12.925 -2.932 13 HZ1 LYS 1 1HZ LYS 1 -13.341 11.025 -3.590 14 HZ2 LYS 1 2HZ LYS 1 -13.596 12.071 -4.892 15 HZ3 LYS 1 3HZ LYS 1 -14.462 10.623 -4.793 16 H ILE 2 H ILE 2 -19.365 7.524 -1.396 17 HA ILE 2 HA ILE 2 -18.529 6.616 1.254 18 HB ILE 2 HB ILE 2 -21.322 6.392 0.128 19 HG12 ILE 2 1HG1 ILE 2 -20.316 7.583 2.727 20 HG13 ILE 2 2HG1 ILE 2 -20.771 8.517 1.306 21 HG21 ILE 2 1HG2 ILE 2 -20.306 4.311 1.177 22 HG22 ILE 2 2HG2 ILE 2 -21.860 4.866 1.819 23 HG23 ILE 2 3HG2 ILE 2 -20.370 5.191 2.709 24 HD11 ILE 2 1HD1 ILE 2 -22.533 8.509 2.980 25 HD12 ILE 2 2HD1 ILE 2 -22.604 6.747 2.904 26 HD13 ILE 2 3HD1 ILE 2 -23.056 7.710 1.498 27 H ASN 3 H ASN 3 -17.391 4.827 1.005 28 HA ASN 3 HA ASN 3 -18.360 2.613 -0.530 29 HB2 ASN 3 1HB ASN 3 -17.395 3.847 -2.362 30 HB3 ASN 3 2HB ASN 3 -15.913 4.101 -1.455 31 HD21 ASN 3 1HD2 ASN 3 -14.653 3.170 -3.040 32 HD22 ASN 3 2HD2 ASN 3 -14.645 1.465 -3.345 33 H LYS 4 H LYS 4 -17.862 0.904 0.645 34 HA LYS 4 HA LYS 4 -15.768 1.174 2.668 35 HB2 LYS 4 1HB LYS 4 -17.938 -0.913 2.354 36 HB3 LYS 4 2HB LYS 4 -16.791 -0.838 3.685 37 HG2 LYS 4 1HG LYS 4 -18.849 1.251 3.007 38 HG3 LYS 4 2HG LYS 4 -18.944 0.083 4.325 39 HD2 LYS 4 1HD LYS 4 -16.903 1.063 5.302 40 HD3 LYS 4 2HD LYS 4 -16.876 2.256 4.003 41 HE2 LYS 4 1HE LYS 4 -19.084 1.904 6.026 42 HE3 LYS 4 2HE LYS 4 -17.856 3.168 6.048 43 HZ1 LYS 4 1HZ LYS 4 -18.709 3.951 3.910 44 HZ2 LYS 4 2HZ LYS 4 -19.897 4.000 5.110 45 HZ3 LYS 4 3HZ LYS 4 -19.919 2.770 3.951 46 H GLN 5 H GLN 5 -16.372 -0.356 -0.314 47 HA GLN 5 HA GLN 5 -14.687 -2.591 -0.116 48 HB2 GLN 5 1HB GLN 5 -16.264 -2.180 -1.981 49 HB3 GLN 5 2HB GLN 5 -15.238 -0.861 -2.520 50 HG2 GLN 5 1HG GLN 5 -14.940 -2.928 -3.822 51 HG3 GLN 5 2HG GLN 5 -13.466 -2.361 -3.044 52 HE21 GLN 5 1HE2 GLN 5 -12.561 -4.423 -3.199 53 HE22 GLN 5 2HE2 GLN 5 -13.043 -5.707 -2.148 54 H LYS 6 H LYS 6 -14.089 0.751 -1.033 55 HA LYS 6 HA LYS 6 -11.419 0.713 -1.712 56 HB2 LYS 6 1HB LYS 6 -12.476 2.718 -2.029 57 HB3 LYS 6 2HB LYS 6 -13.197 2.695 -0.434 58 HG2 LYS 6 1HG LYS 6 -11.136 3.288 0.594 59 HG3 LYS 6 2HG LYS 6 -10.259 3.073 -0.916 60 HD2 LYS 6 1HD LYS 6 -10.585 5.419 -0.587 61 HD3 LYS 6 2HD LYS 6 -11.651 4.883 -1.890 62 HE2 LYS 6 1HE LYS 6 -13.524 4.781 -0.323 63 HE3 LYS 6 2HE LYS 6 -12.463 5.311 0.981 64 HZ1 LYS 6 1HZ LYS 6 -12.111 7.386 -0.201 65 HZ2 LYS 6 2HZ LYS 6 -13.754 7.140 0.097 66 HZ3 LYS 6 3HZ LYS 6 -13.130 6.876 -1.450 67 H ILE 7 H ILE 7 -12.859 0.666 1.506 68 HA ILE 7 HA ILE 7 -10.561 1.100 3.001 69 HB ILE 7 HB ILE 7 -13.050 -0.413 3.660 70 HG12 ILE 7 1HG1 ILE 7 -12.724 1.628 5.435 71 HG13 ILE 7 2HG1 ILE 7 -11.925 2.279 4.021 72 HG21 ILE 7 1HG2 ILE 7 -10.927 -1.334 4.795 73 HG22 ILE 7 2HG2 ILE 7 -12.307 -0.918 5.811 74 HG23 ILE 7 3HG2 ILE 7 -10.932 0.182 5.696 75 HD11 ILE 7 1HD1 ILE 7 -13.926 1.864 2.709 76 HD12 ILE 7 2HD1 ILE 7 -14.186 2.995 4.037 77 HD13 ILE 7 3HD1 ILE 7 -14.748 1.329 4.176 78 H LYS 8 H LYS 8 -11.707 -1.909 1.493 79 HA LYS 8 HA LYS 8 -9.614 -3.464 2.749 80 HB2 LYS 8 1HB LYS 8 -11.103 -4.253 0.261 81 HB3 LYS 8 2HB LYS 8 -10.214 -5.299 1.341 82 HG2 LYS 8 1HG LYS 8 -12.428 -5.759 1.833 83 HG3 LYS 8 2HG LYS 8 -11.946 -4.639 3.111 84 HD2 LYS 8 1HD LYS 8 -13.158 -2.897 2.220 85 HD3 LYS 8 2HD LYS 8 -13.151 -3.591 0.593 86 HE2 LYS 8 1HE LYS 8 -14.668 -4.703 2.958 87 HE3 LYS 8 2HE LYS 8 -15.370 -3.660 1.726 88 HZ1 LYS 8 1HZ LYS 8 -15.811 -6.018 1.323 89 HZ2 LYS 8 2HZ LYS 8 -14.154 -6.321 1.207 90 HZ3 LYS 8 3HZ LYS 8 -14.913 -5.328 0.065 91 H ASN 9 H ASN 9 -10.112 -1.701 -0.191 92 HA ASN 9 HA ASN 9 -7.973 -2.699 -1.652 93 HB2 ASN 9 1HB ASN 9 -9.288 0.012 -1.656 94 HB3 ASN 9 2HB ASN 9 -7.957 -0.366 -2.736 95 HD21 ASN 9 1HD2 ASN 9 -11.221 -1.183 -1.853 96 HD22 ASN 9 2HD2 ASN 9 -11.684 -1.790 -3.394 97 H GLY 10 H GLY 10 -8.171 0.222 0.342 98 HA2 GLY 10 1HA GLY 10 -5.435 0.868 0.242 99 HA3 GLY 10 2HA GLY 10 -6.575 1.429 1.458 100 H ALA 11 H ALA 11 -7.274 -1.155 2.455 101 HA ALA 11 HA ALA 11 -5.144 -1.520 4.301 102 HB1 ALA 11 1HB ALA 11 -7.591 -1.869 4.764 103 HB2 ALA 11 2HB ALA 11 -6.520 -3.153 5.334 104 HB3 ALA 11 3HB ALA 11 -7.466 -3.382 3.863 105 H LYS 12 H LYS 12 -6.094 -3.094 1.326 106 HA LYS 12 HA LYS 12 -4.402 -5.381 1.751 107 HB2 LYS 12 1HB LYS 12 -6.265 -5.941 0.534 108 HB3 LYS 12 2HB LYS 12 -6.225 -4.460 -0.411 109 HG2 LYS 12 1HG LYS 12 -4.014 -6.419 -0.751 110 HG3 LYS 12 2HG LYS 12 -5.594 -6.779 -1.464 111 HD2 LYS 12 1HD LYS 12 -5.518 -4.456 -2.417 112 HD3 LYS 12 2HD LYS 12 -3.829 -4.401 -1.948 113 HE2 LYS 12 1HE LYS 12 -3.332 -6.308 -3.349 114 HE3 LYS 12 2HE LYS 12 -5.037 -6.494 -3.755 115 HZ1 LYS 12 1HZ LYS 12 -3.338 -4.164 -4.460 116 HZ2 LYS 12 2HZ LYS 12 -4.970 -4.342 -4.848 117 HZ3 LYS 12 3HZ LYS 12 -3.826 -5.387 -5.520 118 H LYS 13 H LYS 13 -4.237 -2.391 -0.082 119 HA LYS 13 HA LYS 13 -1.652 -3.098 -1.156 120 HB2 LYS 13 1HB LYS 13 -1.732 -0.951 -2.261 121 HB3 LYS 13 2HB LYS 13 -3.264 -1.787 -2.502 122 HG2 LYS 13 1HG LYS 13 -4.355 -0.080 -1.623 123 HG3 LYS 13 2HG LYS 13 -3.473 -0.281 -0.122 124 HD2 LYS 13 1HD LYS 13 -1.670 1.134 -0.999 125 HD3 LYS 13 2HD LYS 13 -2.603 1.379 -2.482 126 HE2 LYS 13 1HE LYS 13 -3.698 2.003 0.241 127 HE3 LYS 13 2HE LYS 13 -2.780 3.188 -0.696 128 HZ1 LYS 13 1HZ LYS 13 -5.190 3.404 -0.993 129 HZ2 LYS 13 2HZ LYS 13 -5.258 1.835 -1.623 130 HZ3 LYS 13 3HZ LYS 13 -4.408 3.039 -2.448 131 H ALA 14 H ALA 14 -2.856 -1.769 1.717 132 HA ALA 14 HA ALA 14 -0.690 -0.058 2.346 133 HB1 ALA 14 1HB ALA 14 -2.299 -1.794 4.231 134 HB2 ALA 14 2HB ALA 14 -2.738 -0.161 3.724 135 HB3 ALA 14 3HB ALA 14 -1.287 -0.425 4.694 136 H LEU 15 H LEU 15 -1.100 -3.416 2.122 137 HA LEU 15 HA LEU 15 1.484 -4.080 3.271 138 HB2 LEU 15 1HB LEU 15 -0.271 -5.937 1.712 139 HB3 LEU 15 2HB LEU 15 0.794 -6.293 3.053 140 HG LEU 15 HG LEU 15 -1.678 -4.640 3.401 141 HD11 LEU 15 1HD1 LEU 15 -2.391 -6.757 2.467 142 HD12 LEU 15 2HD1 LEU 15 -2.793 -6.694 4.183 143 HD13 LEU 15 3HD1 LEU 15 -1.406 -7.636 3.637 144 HD21 LEU 15 1HD2 LEU 15 -0.024 -4.508 5.182 145 HD22 LEU 15 2HD2 LEU 15 -0.003 -6.267 5.314 146 HD23 LEU 15 3HD2 LEU 15 -1.463 -5.370 5.734 147 H GLY 16 H GLY 16 -0.143 -3.734 0.203 148 HA2 GLY 16 1HA GLY 16 1.934 -4.866 -1.410 149 HA3 GLY 16 2HA GLY 16 0.526 -3.964 -1.971 150 H VAL 17 H VAL 17 0.749 -1.593 -0.851 151 HA VAL 17 HA VAL 17 2.728 -0.361 -2.510 152 HB VAL 17 HB VAL 17 0.384 0.477 -1.739 153 HG11 VAL 17 1HG1 VAL 17 0.638 0.592 0.582 154 HG12 VAL 17 2HG1 VAL 17 0.593 2.262 0.009 155 HG13 VAL 17 3HG1 VAL 17 2.133 1.522 0.451 156 HG21 VAL 17 1HG2 VAL 17 1.767 1.620 -3.369 157 HG22 VAL 17 2HG2 VAL 17 2.728 2.339 -2.077 158 HG23 VAL 17 3HG2 VAL 17 1.035 2.790 -2.272 159 H ALA 18 H ALA 18 2.541 -1.276 0.789 160 HA ALA 18 HA ALA 18 4.687 0.201 1.831 161 HB1 ALA 18 1HB ALA 18 3.920 -2.633 2.530 162 HB2 ALA 18 2HB ALA 18 3.205 -1.180 3.225 163 HB3 ALA 18 3HB ALA 18 4.906 -1.549 3.509 164 H SER 19 H SER 19 4.584 -2.503 -0.337 165 HA SER 19 HA SER 19 7.442 -3.004 -0.146 166 HB2 SER 19 1HB SER 19 5.438 -4.192 -2.058 167 HB3 SER 19 2HB SER 19 7.023 -4.841 -1.640 168 HG SER 19 HG SER 19 5.974 -4.790 0.629 169 H LYS 20 H LYS 20 5.648 -0.672 -1.365 170 HA LYS 20 HA LYS 20 7.177 -0.439 -3.834 171 HB2 LYS 20 1HB LYS 20 4.411 0.359 -3.112 172 HB3 LYS 20 2HB LYS 20 5.287 1.389 -4.224 173 HG2 LYS 20 1HG LYS 20 3.870 -0.226 -5.387 174 HG3 LYS 20 2HG LYS 20 5.576 -0.452 -5.764 175 HD2 LYS 20 1HD LYS 20 5.709 -2.354 -4.313 176 HD3 LYS 20 2HD LYS 20 4.077 -2.072 -3.706 177 HE2 LYS 20 1HE LYS 20 3.183 -2.496 -5.948 178 HE3 LYS 20 2HE LYS 20 4.816 -2.781 -6.544 179 HZ1 LYS 20 1HZ LYS 20 4.995 -4.664 -5.036 180 HZ2 LYS 20 2HZ LYS 20 3.677 -4.852 -6.080 181 HZ3 LYS 20 3HZ LYS 20 3.420 -4.392 -4.474 182 H VAL 21 H VAL 21 7.348 0.392 -0.792 183 HA VAL 21 HA VAL 21 8.357 3.088 -1.313 184 HB VAL 21 HB VAL 21 7.302 4.022 0.608 185 HG11 VAL 21 1HG1 VAL 21 5.218 2.394 -0.801 186 HG12 VAL 21 2HG1 VAL 21 5.923 3.889 -1.420 187 HG13 VAL 21 3HG1 VAL 21 4.963 3.914 0.059 188 HG21 VAL 21 1HG2 VAL 21 6.423 1.227 1.248 189 HG22 VAL 21 2HG2 VAL 21 5.663 2.647 1.972 190 HG23 VAL 21 3HG2 VAL 21 7.378 2.332 2.238 191 H ALA 22 H ALA 22 8.273 0.241 0.733 192 HA ALA 22 HA ALA 22 10.349 1.099 2.474 193 HB1 ALA 22 1HB ALA 22 8.920 -1.448 1.948 194 HB2 ALA 22 2HB ALA 22 9.037 -0.509 3.438 195 HB3 ALA 22 3HB ALA 22 10.404 -1.485 2.901 196 HA PRO 23 HA PRO 23 13.200 -1.684 -0.203 197 HB2 PRO 23 1HB PRO 23 11.970 -1.946 -2.826 198 HB3 PRO 23 2HB PRO 23 12.546 -3.213 -1.740 199 HG2 PRO 23 1HG PRO 23 9.920 -2.789 -2.271 200 HG3 PRO 23 2HG PRO 23 10.501 -3.458 -0.735 201 HD2 PRO 23 1HD PRO 23 9.632 -0.675 -1.398 202 HD3 PRO 23 2HD PRO 23 9.324 -1.629 0.063 203 H VAL 24 H VAL 24 11.304 0.903 -1.513 204 HA VAL 24 HA VAL 24 13.345 1.764 -3.335 205 HB VAL 24 HB VAL 24 12.026 3.621 -3.901 206 HG11 VAL 24 1HG1 VAL 24 10.287 1.282 -3.241 207 HG12 VAL 24 2HG1 VAL 24 11.125 1.605 -4.758 208 HG13 VAL 24 3HG1 VAL 24 9.772 2.626 -4.258 209 HG21 VAL 24 1HG2 VAL 24 10.450 3.187 -1.378 210 HG22 VAL 24 2HG2 VAL 24 10.015 4.321 -2.657 211 HG23 VAL 24 3HG2 VAL 24 11.509 4.547 -1.747 212 H VAL 25 H VAL 25 12.231 2.800 -0.120 213 HA VAL 25 HA VAL 25 14.199 4.830 0.205 214 HB VAL 25 HB VAL 25 12.615 3.283 2.267 215 HG11 VAL 25 1HG1 VAL 25 14.715 4.359 3.142 216 HG12 VAL 25 2HG1 VAL 25 13.224 4.959 3.870 217 HG13 VAL 25 3HG1 VAL 25 14.053 5.915 2.642 218 HG21 VAL 25 1HG2 VAL 25 11.720 5.001 0.376 219 HG22 VAL 25 2HG2 VAL 25 12.027 6.109 1.717 220 HG23 VAL 25 3HG2 VAL 25 10.932 4.741 1.933 221 H ALA 26 H ALA 26 14.151 1.448 0.574 222 HA ALA 26 HA ALA 26 16.593 1.264 2.031 223 HB1 ALA 26 1HB ALA 26 14.630 -0.381 1.686 224 HB2 ALA 26 2HB ALA 26 16.274 -1.000 1.901 225 HB3 ALA 26 3HB ALA 26 15.563 -0.913 0.284 226 H ALA 27 H ALA 27 15.930 2.370 -0.965 227 HA ALA 27 HA ALA 27 18.644 1.736 -1.927 228 HB1 ALA 27 1HB ALA 27 16.197 2.545 -3.518 229 HB2 ALA 27 2HB ALA 27 16.933 0.938 -3.468 230 HB3 ALA 27 3HB ALA 27 17.812 2.288 -4.187 231 H PHE 28 H PHE 28 16.409 4.146 -0.923 232 HA PHE 28 HA PHE 28 17.944 6.372 -1.936 233 HB2 PHE 28 1HB PHE 28 15.408 6.079 -0.385 234 HB3 PHE 28 2HB PHE 28 16.194 7.641 -0.471 235 HD1 PHE 28 HD1 PHE 28 14.136 5.249 -2.032 236 HD2 PHE 28 HD2 PHE 28 16.542 8.654 -2.791 237 HE1 PHE 28 HE1 PHE 28 13.027 5.533 -4.158 238 HE2 PHE 28 HE2 PHE 28 15.417 8.967 -4.962 239 HZ PHE 28 HZ PHE 28 13.643 7.400 -5.658 240 H ALA 29 H ALA 29 17.096 4.991 1.203 241 HA ALA 29 HA ALA 29 18.848 6.709 2.674 242 HB1 ALA 29 1HB ALA 29 17.212 4.281 3.297 243 HB2 ALA 29 2HB ALA 29 17.036 5.929 3.914 244 HB3 ALA 29 3HB ALA 29 18.366 4.913 4.476 245 H ARG 30 H ARG 30 18.880 3.291 1.718 246 HA ARG 30 HA ARG 30 21.668 3.013 2.442 247 HB2 ARG 30 1HB ARG 30 19.546 1.177 1.463 248 HB3 ARG 30 2HB ARG 30 21.235 0.705 1.327 249 HG2 ARG 30 1HG ARG 30 21.534 0.947 3.712 250 HG3 ARG 30 2HG ARG 30 19.870 1.520 3.880 251 HD2 ARG 30 1HD ARG 30 20.263 -1.028 2.489 252 HD3 ARG 30 2HD ARG 30 20.590 -1.038 4.223 253 HE ARG 30 HE ARG 30 18.119 0.232 3.709 254 HH11 ARG 30 1HH1 ARG 30 19.560 -2.958 3.655 255 HH12 ARG 30 2HH1 ARG 30 18.090 -3.767 4.101 256 HH21 ARG 30 1HH2 ARG 30 16.196 -0.817 4.313 257 HH22 ARG 30 2HH2 ARG 30 16.168 -2.546 4.467 Start of MODEL 16 1 H1 LYS 1 1H LYS 1 -24.665 5.045 -2.546 2 H2 LYS 1 2H LYS 1 -23.943 4.012 -3.671 3 H3 LYS 1 3H LYS 1 -24.812 5.360 -4.200 4 HA LYS 1 HA LYS 1 -22.432 5.705 -4.362 5 HB2 LYS 1 1HB LYS 1 -23.832 7.396 -2.282 6 HB3 LYS 1 2HB LYS 1 -22.353 7.851 -3.112 7 HG2 LYS 1 1HG LYS 1 -25.038 7.393 -4.397 8 HG3 LYS 1 2HG LYS 1 -24.283 8.956 -4.082 9 HD2 LYS 1 1HD LYS 1 -23.171 6.810 -5.892 10 HD3 LYS 1 2HD LYS 1 -24.036 8.248 -6.427 11 HE2 LYS 1 1HE LYS 1 -21.443 8.243 -4.887 12 HE3 LYS 1 2HE LYS 1 -21.592 8.482 -6.625 13 HZ1 LYS 1 1HZ LYS 1 -21.375 10.583 -5.485 14 HZ2 LYS 1 2HZ LYS 1 -22.719 10.249 -4.521 15 HZ3 LYS 1 3HZ LYS 1 -22.909 10.472 -6.185 16 H ILE 2 H ILE 2 -22.465 3.423 -2.685 17 HA ILE 2 HA ILE 2 -20.518 4.253 -0.646 18 HB ILE 2 HB ILE 2 -22.491 1.964 -0.509 19 HG12 ILE 2 1HG1 ILE 2 -22.177 4.414 1.240 20 HG13 ILE 2 2HG1 ILE 2 -23.429 4.195 0.023 21 HG21 ILE 2 1HG2 ILE 2 -20.221 1.437 0.353 22 HG22 ILE 2 2HG2 ILE 2 -21.500 1.339 1.568 23 HG23 ILE 2 3HG2 ILE 2 -20.419 2.734 1.535 24 HD11 ILE 2 1HD1 ILE 2 -24.282 3.767 2.253 25 HD12 ILE 2 2HD1 ILE 2 -23.056 2.524 2.498 26 HD13 ILE 2 3HD1 ILE 2 -24.312 2.296 1.280 27 H ASN 3 H ASN 3 -18.548 3.374 -0.876 28 HA ASN 3 HA ASN 3 -18.312 0.974 -2.565 29 HB2 ASN 3 1HB ASN 3 -17.330 2.904 -3.669 30 HB3 ASN 3 2HB ASN 3 -16.345 3.241 -2.250 31 HD21 ASN 3 1HD2 ASN 3 -14.471 3.098 -3.512 32 HD22 ASN 3 2HD2 ASN 3 -13.843 1.568 -4.033 33 H LYS 4 H LYS 4 -17.731 -0.739 -1.497 34 HA LYS 4 HA LYS 4 -16.315 -0.449 1.063 35 HB2 LYS 4 1HB LYS 4 -17.814 -2.798 -0.123 36 HB3 LYS 4 2HB LYS 4 -16.975 -2.830 1.421 37 HG2 LYS 4 1HG LYS 4 -19.323 -1.085 0.713 38 HG3 LYS 4 2HG LYS 4 -19.353 -2.521 1.737 39 HD2 LYS 4 1HD LYS 4 -17.675 -1.348 3.214 40 HD3 LYS 4 2HD LYS 4 -17.993 0.107 2.270 41 HE2 LYS 4 1HE LYS 4 -19.337 0.119 4.276 42 HE3 LYS 4 2HE LYS 4 -20.374 -0.055 2.862 43 HZ1 LYS 4 1HZ LYS 4 -19.502 -2.263 4.648 44 HZ2 LYS 4 2HZ LYS 4 -20.509 -2.427 3.298 45 HZ3 LYS 4 3HZ LYS 4 -21.035 -1.548 4.642 46 H GLN 5 H GLN 5 -15.917 -1.483 -2.170 47 HA GLN 5 HA GLN 5 -13.914 -3.421 -1.910 48 HB2 GLN 5 1HB GLN 5 -15.188 -2.774 -3.999 49 HB3 GLN 5 2HB GLN 5 -14.134 -1.374 -4.100 50 HG2 GLN 5 1HG GLN 5 -13.413 -3.167 -5.580 51 HG3 GLN 5 2HG GLN 5 -12.205 -2.790 -4.357 52 HE21 GLN 5 1HE2 GLN 5 -11.692 -4.305 -2.812 53 HE22 GLN 5 2HE2 GLN 5 -12.239 -5.942 -2.890 54 H LYS 6 H LYS 6 -13.796 0.085 -2.036 55 HA LYS 6 HA LYS 6 -11.053 0.516 -2.090 56 HB2 LYS 6 1HB LYS 6 -12.419 2.388 -2.365 57 HB3 LYS 6 2HB LYS 6 -13.337 2.039 -0.907 58 HG2 LYS 6 1HG LYS 6 -11.568 2.736 0.486 59 HG3 LYS 6 2HG LYS 6 -10.434 2.794 -0.860 60 HD2 LYS 6 1HD LYS 6 -11.746 4.596 -1.864 61 HD3 LYS 6 2HD LYS 6 -12.846 4.563 -0.486 62 HE2 LYS 6 1HE LYS 6 -11.267 6.360 -0.188 63 HE3 LYS 6 2HE LYS 6 -10.938 5.098 0.997 64 HZ1 LYS 6 1HZ LYS 6 -9.132 4.310 -0.376 65 HZ2 LYS 6 2HZ LYS 6 -8.910 5.946 -0.019 66 HZ3 LYS 6 3HZ LYS 6 -9.456 5.484 -1.549 67 H ILE 7 H ILE 7 -13.185 -0.096 0.665 68 HA ILE 7 HA ILE 7 -11.389 0.365 2.712 69 HB ILE 7 HB ILE 7 -13.710 -1.524 2.581 70 HG12 ILE 7 1HG1 ILE 7 -14.165 0.352 4.507 71 HG13 ILE 7 2HG1 ILE 7 -13.182 1.249 3.375 72 HG21 ILE 7 1HG2 ILE 7 -11.842 -2.269 4.166 73 HG22 ILE 7 2HG2 ILE 7 -13.465 -2.100 4.836 74 HG23 ILE 7 3HG2 ILE 7 -12.257 -0.845 5.118 75 HD11 ILE 7 1HD1 ILE 7 -14.707 0.655 1.587 76 HD12 ILE 7 2HD1 ILE 7 -15.472 1.601 2.866 77 HD13 ILE 7 3HD1 ILE 7 -15.750 -0.139 2.769 78 H LYS 8 H LYS 8 -11.781 -2.540 0.710 79 HA LYS 8 HA LYS 8 -9.762 -3.924 2.270 80 HB2 LYS 8 1HB LYS 8 -10.639 -4.808 -0.445 81 HB3 LYS 8 2HB LYS 8 -10.001 -5.779 0.865 82 HG2 LYS 8 1HG LYS 8 -12.132 -6.388 1.141 83 HG3 LYS 8 2HG LYS 8 -12.277 -4.848 1.994 84 HD2 LYS 8 1HD LYS 8 -13.166 -3.771 0.096 85 HD3 LYS 8 2HD LYS 8 -12.703 -5.098 -0.968 86 HE2 LYS 8 1HE LYS 8 -14.821 -5.149 1.183 87 HE3 LYS 8 2HE LYS 8 -15.095 -5.143 -0.557 88 HZ1 LYS 8 1HZ LYS 8 -15.332 -7.359 0.194 89 HZ2 LYS 8 2HZ LYS 8 -13.887 -7.309 1.067 90 HZ3 LYS 8 3HZ LYS 8 -13.853 -7.293 -0.623 91 H ASN 9 H ASN 9 -9.991 -2.121 -0.723 92 HA ASN 9 HA ASN 9 -7.557 -2.954 -1.799 93 HB2 ASN 9 1HB ASN 9 -9.342 -0.634 -2.286 94 HB3 ASN 9 2HB ASN 9 -7.685 -0.503 -2.861 95 HD21 ASN 9 1HD2 ASN 9 -10.726 -2.065 -3.247 96 HD22 ASN 9 2HD2 ASN 9 -10.331 -2.916 -4.702 97 H GLY 10 H GLY 10 -8.304 -0.064 0.142 98 HA2 GLY 10 1HA GLY 10 -5.627 0.860 0.264 99 HA3 GLY 10 2HA GLY 10 -6.924 1.319 1.361 100 H ALA 11 H ALA 11 -7.422 -1.446 2.153 101 HA ALA 11 HA ALA 11 -5.436 -1.631 4.225 102 HB1 ALA 11 1HB ALA 11 -7.936 -2.088 4.454 103 HB2 ALA 11 2HB ALA 11 -6.832 -3.238 5.214 104 HB3 ALA 11 3HB ALA 11 -7.601 -3.640 3.679 105 H LYS 12 H LYS 12 -5.984 -3.035 1.133 106 HA LYS 12 HA LYS 12 -4.282 -5.324 1.606 107 HB2 LYS 12 1HB LYS 12 -6.190 -5.779 0.298 108 HB3 LYS 12 2HB LYS 12 -5.933 -4.366 -0.710 109 HG2 LYS 12 1HG LYS 12 -3.912 -6.558 -0.695 110 HG3 LYS 12 2HG LYS 12 -5.407 -6.727 -1.625 111 HD2 LYS 12 1HD LYS 12 -4.912 -4.519 -2.641 112 HD3 LYS 12 2HD LYS 12 -3.351 -4.550 -1.845 113 HE2 LYS 12 1HE LYS 12 -4.363 -6.553 -3.863 114 HE3 LYS 12 2HE LYS 12 -3.153 -5.308 -4.159 115 HZ1 LYS 12 1HZ LYS 12 -2.884 -7.591 -2.280 116 HZ2 LYS 12 2HZ LYS 12 -1.726 -6.384 -2.511 117 HZ3 LYS 12 3HZ LYS 12 -2.111 -7.436 -3.775 118 H LYS 13 H LYS 13 -4.248 -2.334 -0.273 119 HA LYS 13 HA LYS 13 -1.615 -2.801 -1.274 120 HB2 LYS 13 1HB LYS 13 -1.764 -0.615 -2.221 121 HB3 LYS 13 2HB LYS 13 -3.327 -1.397 -2.447 122 HG2 LYS 13 1HG LYS 13 -4.235 0.420 -1.542 123 HG3 LYS 13 2HG LYS 13 -3.586 -0.147 -0.014 124 HD2 LYS 13 1HD LYS 13 -1.559 1.147 -0.362 125 HD3 LYS 13 2HD LYS 13 -2.181 1.720 -1.911 126 HE2 LYS 13 1HE LYS 13 -3.619 2.129 0.696 127 HE3 LYS 13 2HE LYS 13 -2.462 3.296 0.047 128 HZ1 LYS 13 1HZ LYS 13 -4.674 3.931 -0.565 129 HZ2 LYS 13 2HZ LYS 13 -4.993 2.410 -1.227 130 HZ3 LYS 13 3HZ LYS 13 -3.864 3.429 -1.961 131 H ALA 14 H ALA 14 -2.910 -1.698 1.672 132 HA ALA 14 HA ALA 14 -0.769 -0.037 2.484 133 HB1 ALA 14 1HB ALA 14 -2.423 -1.904 4.196 134 HB2 ALA 14 2HB ALA 14 -2.867 -0.248 3.780 135 HB3 ALA 14 3HB ALA 14 -1.446 -0.556 4.780 136 H LEU 15 H LEU 15 -1.138 -3.383 2.012 137 HA LEU 15 HA LEU 15 1.462 -4.043 3.161 138 HB2 LEU 15 1HB LEU 15 -0.352 -5.893 1.652 139 HB3 LEU 15 2HB LEU 15 0.777 -6.261 2.937 140 HG LEU 15 HG LEU 15 -1.680 -4.615 3.398 141 HD11 LEU 15 1HD1 LEU 15 -2.435 -6.732 2.548 142 HD12 LEU 15 2HD1 LEU 15 -2.711 -6.683 4.290 143 HD13 LEU 15 3HD1 LEU 15 -1.356 -7.603 3.635 144 HD21 LEU 15 1HD2 LEU 15 0.053 -4.420 5.088 145 HD22 LEU 15 2HD2 LEU 15 0.124 -6.174 5.248 146 HD23 LEU 15 3HD2 LEU 15 -1.331 -5.303 5.733 147 H GLY 16 H GLY 16 -0.226 -3.621 0.144 148 HA2 GLY 16 1HA GLY 16 1.776 -4.720 -1.570 149 HA3 GLY 16 2HA GLY 16 0.411 -3.707 -2.049 150 H VAL 17 H VAL 17 0.744 -1.454 -0.782 151 HA VAL 17 HA VAL 17 2.802 -0.206 -2.331 152 HB VAL 17 HB VAL 17 0.473 0.675 -1.572 153 HG11 VAL 17 1HG1 VAL 17 0.613 0.682 0.743 154 HG12 VAL 17 2HG1 VAL 17 0.751 2.383 0.275 155 HG13 VAL 17 3HG1 VAL 17 2.193 1.474 0.737 156 HG21 VAL 17 1HG2 VAL 17 1.918 1.857 -3.104 157 HG22 VAL 17 2HG2 VAL 17 2.895 2.453 -1.761 158 HG23 VAL 17 3HG2 VAL 17 1.225 2.991 -1.944 159 H ALA 18 H ALA 18 2.473 -1.290 0.904 160 HA ALA 18 HA ALA 18 4.599 0.036 2.135 161 HB1 ALA 18 1HB ALA 18 3.744 -2.829 2.550 162 HB2 ALA 18 2HB ALA 18 3.056 -1.419 3.355 163 HB3 ALA 18 3HB ALA 18 4.733 -1.875 3.654 164 H SER 19 H SER 19 4.573 -2.463 -0.251 165 HA SER 19 HA SER 19 7.423 -3.003 0.051 166 HB2 SER 19 1HB SER 19 5.452 -4.166 -1.912 167 HB3 SER 19 2HB SER 19 7.050 -4.799 -1.521 168 HG SER 19 HG SER 19 4.726 -4.747 0.106 169 H LYS 20 H LYS 20 5.664 -0.653 -1.148 170 HA LYS 20 HA LYS 20 7.286 -0.297 -3.544 171 HB2 LYS 20 1HB LYS 20 4.478 0.442 -2.908 172 HB3 LYS 20 2HB LYS 20 5.389 1.506 -3.957 173 HG2 LYS 20 1HG LYS 20 4.003 -0.119 -5.184 174 HG3 LYS 20 2HG LYS 20 5.720 -0.257 -5.557 175 HD2 LYS 20 1HD LYS 20 5.926 -2.190 -4.144 176 HD3 LYS 20 2HD LYS 20 4.267 -2.003 -3.573 177 HE2 LYS 20 1HE LYS 20 5.019 -2.498 -6.447 178 HE3 LYS 20 2HE LYS 20 4.594 -3.775 -5.308 179 HZ1 LYS 20 1HZ LYS 20 2.835 -1.521 -6.120 180 HZ2 LYS 20 2HZ LYS 20 2.428 -2.736 -5.017 181 HZ3 LYS 20 3HZ LYS 20 2.697 -3.123 -6.641 182 H VAL 21 H VAL 21 7.324 0.406 -0.462 183 HA VAL 21 HA VAL 21 8.227 3.169 -0.857 184 HB VAL 21 HB VAL 21 7.152 3.925 1.141 185 HG11 VAL 21 1HG1 VAL 21 5.133 2.349 -0.412 186 HG12 VAL 21 2HG1 VAL 21 5.804 3.905 -0.917 187 HG13 VAL 21 3HG1 VAL 21 4.827 3.799 0.550 188 HG21 VAL 21 1HG2 VAL 21 6.360 1.061 1.546 189 HG22 VAL 21 2HG2 VAL 21 5.549 2.394 2.374 190 HG23 VAL 21 3HG2 VAL 21 7.271 2.112 2.632 191 H ALA 22 H ALA 22 8.369 0.196 0.950 192 HA ALA 22 HA ALA 22 10.439 1.113 2.726 193 HB1 ALA 22 1HB ALA 22 9.023 -1.450 2.220 194 HB2 ALA 22 2HB ALA 22 9.152 -0.512 3.713 195 HB3 ALA 22 3HB ALA 22 10.525 -1.468 3.148 196 HA PRO 23 HA PRO 23 13.234 -1.564 -0.090 197 HB2 PRO 23 1HB PRO 23 11.898 -1.785 -2.670 198 HB3 PRO 23 2HB PRO 23 12.570 -3.062 -1.653 199 HG2 PRO 23 1HG PRO 23 9.914 -2.745 -2.029 200 HG3 PRO 23 2HG PRO 23 10.597 -3.378 -0.521 201 HD2 PRO 23 1HD PRO 23 9.620 -0.618 -1.153 202 HD3 PRO 23 2HD PRO 23 9.367 -1.589 0.309 203 H VAL 24 H VAL 24 11.210 0.975 -1.348 204 HA VAL 24 HA VAL 24 13.129 1.931 -3.224 205 HB VAL 24 HB VAL 24 11.789 3.848 -3.577 206 HG11 VAL 24 1HG1 VAL 24 10.084 1.463 -2.983 207 HG12 VAL 24 2HG1 VAL 24 10.883 1.846 -4.508 208 HG13 VAL 24 3HG1 VAL 24 9.554 2.852 -3.927 209 HG21 VAL 24 1HG2 VAL 24 10.352 3.195 -1.014 210 HG22 VAL 24 2HG2 VAL 24 9.838 4.417 -2.178 211 HG23 VAL 24 3HG2 VAL 24 11.373 4.597 -1.330 212 H VAL 25 H VAL 25 12.253 2.886 0.082 213 HA VAL 25 HA VAL 25 14.266 4.875 0.345 214 HB VAL 25 HB VAL 25 12.808 3.254 2.448 215 HG11 VAL 25 1HG1 VAL 25 14.963 4.289 3.223 216 HG12 VAL 25 2HG1 VAL 25 13.528 4.884 4.057 217 HG13 VAL 25 3HG1 VAL 25 14.293 5.865 2.807 218 HG21 VAL 25 1HG2 VAL 25 11.823 5.065 0.676 219 HG22 VAL 25 2HG2 VAL 25 12.184 6.093 2.068 220 HG23 VAL 25 3HG2 VAL 25 11.108 4.705 2.249 221 H ALA 26 H ALA 26 14.194 1.480 0.621 222 HA ALA 26 HA ALA 26 16.715 1.189 1.895 223 HB1 ALA 26 1HB ALA 26 14.720 -0.395 1.573 224 HB2 ALA 26 2HB ALA 26 16.359 -1.057 1.626 225 HB3 ALA 26 3HB ALA 26 15.536 -0.849 0.074 226 H ALA 27 H ALA 27 15.817 2.332 -1.088 227 HA ALA 27 HA ALA 27 18.455 1.751 -2.269 228 HB1 ALA 27 1HB ALA 27 15.929 2.756 -3.599 229 HB2 ALA 27 2HB ALA 27 16.547 1.099 -3.662 230 HB3 ALA 27 3HB ALA 27 17.463 2.407 -4.408 231 H PHE 28 H PHE 28 16.305 4.201 -1.091 232 HA PHE 28 HA PHE 28 17.831 6.421 -2.098 233 HB2 PHE 28 1HB PHE 28 15.430 6.126 -0.344 234 HB3 PHE 28 2HB PHE 28 16.236 7.676 -0.462 235 HD1 PHE 28 HD1 PHE 28 13.970 5.392 -1.865 236 HD2 PHE 28 HD2 PHE 28 16.442 8.706 -2.807 237 HE1 PHE 28 HE1 PHE 28 12.687 5.751 -3.882 238 HE2 PHE 28 HE2 PHE 28 15.141 9.095 -4.865 239 HZ PHE 28 HZ PHE 28 13.248 7.610 -5.413 240 H ALA 29 H ALA 29 17.421 4.697 0.903 241 HA ALA 29 HA ALA 29 19.255 6.372 2.360 242 HB1 ALA 29 1HB ALA 29 17.656 3.919 2.944 243 HB2 ALA 29 2HB ALA 29 17.639 5.489 3.755 244 HB3 ALA 29 3HB ALA 29 18.980 4.373 4.020 245 H ARG 30 H ARG 30 19.233 3.019 1.128 246 HA ARG 30 HA ARG 30 22.123 2.896 1.527 247 HB2 ARG 30 1HB ARG 30 20.101 0.797 0.748 248 HB3 ARG 30 2HB ARG 30 21.832 0.507 0.689 249 HG2 ARG 30 1HG ARG 30 21.407 -0.306 2.757 250 HG3 ARG 30 2HG ARG 30 21.690 1.381 3.183 251 HD2 ARG 30 1HD ARG 30 19.730 0.796 4.326 252 HD3 ARG 30 2HD ARG 30 19.175 1.698 2.916 253 HE ARG 30 HE ARG 30 18.790 -0.577 1.890 254 HH11 ARG 30 1HH1 ARG 30 18.625 -0.022 5.345 255 HH12 ARG 30 2HH1 ARG 30 17.581 -1.372 5.647 256 HH21 ARG 30 1HH2 ARG 30 17.416 -2.375 2.286 257 HH22 ARG 30 2HH2 ARG 30 16.889 -2.708 3.907 Start of MODEL 17 1 H1 LYS 1 1H LYS 1 -21.712 7.028 -4.522 2 H2 LYS 1 2H LYS 1 -21.889 8.686 -4.793 3 H3 LYS 1 3H LYS 1 -22.150 8.050 -3.249 4 HA LYS 1 HA LYS 1 -19.562 8.047 -4.683 5 HB2 LYS 1 1HB LYS 1 -20.449 10.295 -3.885 6 HB3 LYS 1 2HB LYS 1 -20.346 9.659 -2.251 7 HG2 LYS 1 1HG LYS 1 -17.889 9.200 -2.772 8 HG3 LYS 1 2HG LYS 1 -18.119 10.248 -4.172 9 HD2 LYS 1 1HD LYS 1 -17.233 11.538 -2.330 10 HD3 LYS 1 2HD LYS 1 -18.893 12.041 -2.656 11 HE2 LYS 1 1HE LYS 1 -19.701 10.746 -0.791 12 HE3 LYS 1 2HE LYS 1 -18.097 10.073 -0.513 13 HZ1 LYS 1 1HZ LYS 1 -17.302 12.256 0.070 14 HZ2 LYS 1 2HZ LYS 1 -18.642 11.870 1.025 15 HZ3 LYS 1 3HZ LYS 1 -18.810 12.944 -0.269 16 H ILE 2 H ILE 2 -20.522 5.659 -3.774 17 HA ILE 2 HA ILE 2 -18.989 5.240 -1.303 18 HB ILE 2 HB ILE 2 -21.632 3.976 -2.046 19 HG12 ILE 2 1HG1 ILE 2 -21.818 6.210 -1.026 20 HG13 ILE 2 2HG1 ILE 2 -22.447 4.961 0.040 21 HG21 ILE 2 1HG2 ILE 2 -19.917 2.419 -1.086 22 HG22 ILE 2 2HG2 ILE 2 -21.435 2.536 -0.188 23 HG23 ILE 2 3HG2 ILE 2 -19.995 3.373 0.398 24 HD11 ILE 2 1HD1 ILE 2 -20.378 5.035 1.335 25 HD12 ILE 2 2HD1 ILE 2 -21.173 6.607 1.274 26 HD13 ILE 2 3HD1 ILE 2 -19.761 6.295 0.268 27 H ASN 3 H ASN 3 -17.513 3.665 -1.433 28 HA ASN 3 HA ASN 3 -17.966 1.418 -3.222 29 HB2 ASN 3 1HB ASN 3 -16.651 2.949 -4.583 30 HB3 ASN 3 2HB ASN 3 -15.449 3.083 -3.308 31 HD21 ASN 3 1HD2 ASN 3 -13.817 2.342 -4.676 32 HD22 ASN 3 2HD2 ASN 3 -13.706 0.686 -5.168 33 H LYS 4 H LYS 4 -17.789 -0.277 -1.994 34 HA LYS 4 HA LYS 4 -16.416 -0.062 0.553 35 HB2 LYS 4 1HB LYS 4 -18.214 -2.200 -0.604 36 HB3 LYS 4 2HB LYS 4 -17.463 -2.310 0.981 37 HG2 LYS 4 1HG LYS 4 -19.415 -0.193 0.093 38 HG3 LYS 4 2HG LYS 4 -19.771 -1.562 1.149 39 HD2 LYS 4 1HD LYS 4 -18.108 -0.704 2.764 40 HD3 LYS 4 2HD LYS 4 -17.853 0.696 1.721 41 HE2 LYS 4 1HE LYS 4 -20.222 1.297 1.980 42 HE3 LYS 4 2HE LYS 4 -20.439 -0.079 3.061 43 HZ1 LYS 4 1HZ LYS 4 -18.750 0.920 4.528 44 HZ2 LYS 4 2HZ LYS 4 -20.121 1.891 4.351 45 HZ3 LYS 4 3HZ LYS 4 -18.701 2.280 3.523 46 H GLN 5 H GLN 5 -16.022 -1.496 -2.545 47 HA GLN 5 HA GLN 5 -14.094 -3.445 -1.952 48 HB2 GLN 5 1HB GLN 5 -15.178 -3.137 -4.167 49 HB3 GLN 5 2HB GLN 5 -14.255 -1.656 -4.374 50 HG2 GLN 5 1HG GLN 5 -13.260 -3.488 -5.606 51 HG3 GLN 5 2HG GLN 5 -12.188 -2.907 -4.333 52 HE21 GLN 5 1HE2 GLN 5 -11.736 -4.227 -2.583 53 HE22 GLN 5 2HE2 GLN 5 -12.141 -5.908 -2.555 54 H LYS 6 H LYS 6 -13.899 0.017 -2.458 55 HA LYS 6 HA LYS 6 -11.179 0.478 -2.476 56 HB2 LYS 6 1HB LYS 6 -12.497 2.310 -2.910 57 HB3 LYS 6 2HB LYS 6 -13.513 2.025 -1.511 58 HG2 LYS 6 1HG LYS 6 -11.835 2.810 -0.032 59 HG3 LYS 6 2HG LYS 6 -10.637 2.860 -1.320 60 HD2 LYS 6 1HD LYS 6 -12.030 4.557 -2.458 61 HD3 LYS 6 2HD LYS 6 -13.090 4.583 -1.048 62 HE2 LYS 6 1HE LYS 6 -11.549 6.410 -0.856 63 HE3 LYS 6 2HE LYS 6 -11.124 5.191 0.346 64 HZ1 LYS 6 1HZ LYS 6 -9.354 4.422 -1.085 65 HZ2 LYS 6 2HZ LYS 6 -9.175 6.076 -0.799 66 HZ3 LYS 6 3HZ LYS 6 -9.779 5.537 -2.283 67 H ILE 7 H ILE 7 -13.295 -0.093 0.286 68 HA ILE 7 HA ILE 7 -11.502 0.540 2.311 69 HB ILE 7 HB ILE 7 -13.806 -1.375 2.278 70 HG12 ILE 7 1HG1 ILE 7 -14.298 0.587 4.091 71 HG13 ILE 7 2HG1 ILE 7 -13.283 1.442 2.954 72 HG21 ILE 7 1HG2 ILE 7 -11.928 -2.017 3.903 73 HG22 ILE 7 2HG2 ILE 7 -13.546 -1.816 4.574 74 HG23 ILE 7 3HG2 ILE 7 -12.343 -0.541 4.771 75 HD11 ILE 7 1HD1 ILE 7 -14.758 0.831 1.148 76 HD12 ILE 7 2HD1 ILE 7 -15.589 1.756 2.403 77 HD13 ILE 7 3HD1 ILE 7 -15.816 0.008 2.296 78 H LYS 8 H LYS 8 -11.787 -2.439 0.408 79 HA LYS 8 HA LYS 8 -9.708 -3.712 1.993 80 HB2 LYS 8 1HB LYS 8 -10.745 -4.609 -0.686 81 HB3 LYS 8 2HB LYS 8 -9.756 -5.541 0.415 82 HG2 LYS 8 1HG LYS 8 -11.897 -6.418 0.647 83 HG3 LYS 8 2HG LYS 8 -11.687 -5.373 2.054 84 HD2 LYS 8 1HD LYS 8 -13.089 -3.732 1.199 85 HD3 LYS 8 2HD LYS 8 -12.925 -4.332 -0.459 86 HE2 LYS 8 1HE LYS 8 -14.291 -6.243 0.043 87 HE3 LYS 8 2HE LYS 8 -14.257 -5.886 1.767 88 HZ1 LYS 8 1HZ LYS 8 -16.355 -5.239 0.827 89 HZ2 LYS 8 2HZ LYS 8 -15.595 -4.275 -0.331 90 HZ3 LYS 8 3HZ LYS 8 -15.513 -3.853 1.306 91 H ASN 9 H ASN 9 -9.967 -1.669 -0.742 92 HA ASN 9 HA ASN 9 -7.648 -2.432 -2.080 93 HB2 ASN 9 1HB ASN 9 -9.245 0.091 -2.003 94 HB3 ASN 9 2HB ASN 9 -7.644 0.146 -2.726 95 HD21 ASN 9 1HD2 ASN 9 -10.808 -1.320 -2.924 96 HD22 ASN 9 2HD2 ASN 9 -10.740 -1.666 -4.609 97 H GLY 10 H GLY 10 -8.150 0.321 0.113 98 HA2 GLY 10 1HA GLY 10 -5.407 0.934 0.414 99 HA3 GLY 10 2HA GLY 10 -6.703 1.473 1.473 100 H ALA 11 H ALA 11 -7.472 -1.351 1.998 101 HA ALA 11 HA ALA 11 -5.745 -1.782 4.242 102 HB1 ALA 11 1HB ALA 11 -8.264 -2.195 4.113 103 HB2 ALA 11 2HB ALA 11 -7.277 -3.425 4.914 104 HB3 ALA 11 3HB ALA 11 -7.848 -3.691 3.267 105 H LYS 12 H LYS 12 -6.079 -3.071 1.033 106 HA LYS 12 HA LYS 12 -4.353 -5.331 1.537 107 HB2 LYS 12 1HB LYS 12 -5.959 -5.941 0.029 108 HB3 LYS 12 2HB LYS 12 -5.994 -4.362 -0.735 109 HG2 LYS 12 1HG LYS 12 -3.594 -6.107 -1.069 110 HG3 LYS 12 2HG LYS 12 -5.056 -6.418 -2.014 111 HD2 LYS 12 1HD LYS 12 -4.998 -3.953 -2.585 112 HD3 LYS 12 2HD LYS 12 -3.367 -3.940 -1.952 113 HE2 LYS 12 1HE LYS 12 -2.683 -5.619 -3.568 114 HE3 LYS 12 2HE LYS 12 -4.331 -5.724 -4.184 115 HZ1 LYS 12 1HZ LYS 12 -2.928 -4.343 -5.593 116 HZ2 LYS 12 2HZ LYS 12 -2.612 -3.304 -4.298 117 HZ3 LYS 12 3HZ LYS 12 -4.181 -3.434 -4.912 118 H LYS 13 H LYS 13 -4.178 -2.233 -0.116 119 HA LYS 13 HA LYS 13 -1.512 -2.728 -1.055 120 HB2 LYS 13 1HB LYS 13 -1.596 -0.477 -1.919 121 HB3 LYS 13 2HB LYS 13 -3.092 -1.316 -2.321 122 HG2 LYS 13 1HG LYS 13 -4.276 0.252 -1.308 123 HG3 LYS 13 2HG LYS 13 -3.437 -0.081 0.198 124 HD2 LYS 13 1HD LYS 13 -1.634 1.460 -0.517 125 HD3 LYS 13 2HD LYS 13 -2.612 1.879 -1.930 126 HE2 LYS 13 1HE LYS 13 -4.345 2.767 -0.572 127 HE3 LYS 13 2HE LYS 13 -3.622 2.098 0.892 128 HZ1 LYS 13 1HZ LYS 13 -1.757 3.624 0.605 129 HZ2 LYS 13 2HZ LYS 13 -3.218 4.469 0.711 130 HZ3 LYS 13 3HZ LYS 13 -2.471 4.263 -0.791 131 H ALA 14 H ALA 14 -2.842 -1.679 1.902 132 HA ALA 14 HA ALA 14 -0.683 -0.001 2.686 133 HB1 ALA 14 1HB ALA 14 -2.445 -1.757 4.412 134 HB2 ALA 14 2HB ALA 14 -2.790 -0.087 3.960 135 HB3 ALA 14 3HB ALA 14 -1.410 -0.454 4.996 136 H LEU 15 H LEU 15 -1.130 -3.333 2.302 137 HA LEU 15 HA LEU 15 1.459 -4.023 3.460 138 HB2 LEU 15 1HB LEU 15 -0.321 -5.902 1.961 139 HB3 LEU 15 2HB LEU 15 0.734 -6.225 3.320 140 HG LEU 15 HG LEU 15 -1.722 -4.541 3.607 141 HD11 LEU 15 1HD1 LEU 15 -2.494 -6.645 2.736 142 HD12 LEU 15 2HD1 LEU 15 -2.849 -6.582 4.464 143 HD13 LEU 15 3HD1 LEU 15 -1.485 -7.536 3.877 144 HD21 LEU 15 1HD2 LEU 15 -0.086 -4.375 5.393 145 HD22 LEU 15 2HD2 LEU 15 -0.068 -6.131 5.568 146 HD23 LEU 15 3HD2 LEU 15 -1.527 -5.220 5.962 147 H GLY 16 H GLY 16 -0.233 -3.555 0.477 148 HA2 GLY 16 1HA GLY 16 1.674 -4.803 -1.248 149 HA3 GLY 16 2HA GLY 16 0.325 -3.771 -1.728 150 H VAL 17 H VAL 17 0.732 -1.471 -0.630 151 HA VAL 17 HA VAL 17 2.754 -0.376 -2.314 152 HB VAL 17 HB VAL 17 0.476 0.606 -1.542 153 HG11 VAL 17 1HG1 VAL 17 0.742 0.766 0.775 154 HG12 VAL 17 2HG1 VAL 17 0.810 2.421 0.155 155 HG13 VAL 17 3HG1 VAL 17 2.297 1.589 0.609 156 HG21 VAL 17 1HG2 VAL 17 2.904 2.273 -1.958 157 HG22 VAL 17 2HG2 VAL 17 1.257 2.861 -2.112 158 HG23 VAL 17 3HG2 VAL 17 1.862 1.620 -3.211 159 H ALA 18 H ALA 18 2.511 -1.174 1.016 160 HA ALA 18 HA ALA 18 4.759 0.192 1.992 161 HB1 ALA 18 1HB ALA 18 3.725 -2.518 2.833 162 HB2 ALA 18 2HB ALA 18 3.176 -0.961 3.458 163 HB3 ALA 18 3HB ALA 18 4.828 -1.499 3.758 164 H SER 19 H SER 19 4.468 -2.497 -0.122 165 HA SER 19 HA SER 19 7.275 -3.247 0.156 166 HB2 SER 19 1HB SER 19 5.158 -4.390 -1.672 167 HB3 SER 19 2HB SER 19 6.714 -5.119 -1.270 168 HG SER 19 HG SER 19 4.350 -5.045 0.183 169 H LYS 20 H LYS 20 5.605 -0.890 -1.244 170 HA LYS 20 HA LYS 20 7.168 -0.878 -3.709 171 HB2 LYS 20 1HB LYS 20 4.443 0.098 -3.050 172 HB3 LYS 20 2HB LYS 20 5.367 0.993 -4.238 173 HG2 LYS 20 1HG LYS 20 3.873 -0.624 -5.284 174 HG3 LYS 20 2HG LYS 20 5.562 -0.985 -5.627 175 HD2 LYS 20 1HD LYS 20 5.565 -2.762 -4.010 176 HD3 LYS 20 2HD LYS 20 3.940 -2.336 -3.470 177 HE2 LYS 20 1HE LYS 20 3.061 -2.896 -5.682 178 HE3 LYS 20 2HE LYS 20 4.685 -3.307 -6.225 179 HZ1 LYS 20 1HZ LYS 20 3.475 -5.285 -5.633 180 HZ2 LYS 20 2HZ LYS 20 3.158 -4.687 -4.085 181 HZ3 LYS 20 3HZ LYS 20 4.741 -5.058 -4.540 182 H VAL 21 H VAL 21 7.463 0.075 -0.780 183 HA VAL 21 HA VAL 21 8.514 2.730 -1.383 184 HB VAL 21 HB VAL 21 7.590 3.696 0.608 185 HG11 VAL 21 1HG1 VAL 21 5.396 2.202 -0.786 186 HG12 VAL 21 2HG1 VAL 21 6.159 3.678 -1.388 187 HG13 VAL 21 3HG1 VAL 21 5.232 3.713 0.114 188 HG21 VAL 21 1HG2 VAL 21 6.690 0.909 1.228 189 HG22 VAL 21 2HG2 VAL 21 5.860 2.306 1.924 190 HG23 VAL 21 3HG2 VAL 21 7.576 2.050 2.246 191 H ALA 22 H ALA 22 8.411 -0.068 0.749 192 HA ALA 22 HA ALA 22 10.532 0.661 2.432 193 HB1 ALA 22 1HB ALA 22 9.181 -1.883 1.710 194 HB2 ALA 22 2HB ALA 22 9.262 -1.055 3.267 195 HB3 ALA 22 3HB ALA 22 10.664 -1.940 2.663 196 HA PRO 23 HA PRO 23 13.445 -1.725 -0.520 197 HB2 PRO 23 1HB PRO 23 12.206 -1.863 -3.138 198 HB3 PRO 23 2HB PRO 23 12.821 -3.178 -2.137 199 HG2 PRO 23 1HG PRO 23 10.178 -2.794 -2.646 200 HG3 PRO 23 2HG PRO 23 10.785 -3.567 -1.171 201 HD2 PRO 23 1HD PRO 23 9.838 -0.763 -1.602 202 HD3 PRO 23 2HD PRO 23 9.555 -1.844 -0.227 203 H VAL 24 H VAL 24 11.393 0.850 -1.610 204 HA VAL 24 HA VAL 24 13.375 1.916 -3.404 205 HB VAL 24 HB VAL 24 11.921 3.653 -3.961 206 HG11 VAL 24 1HG1 VAL 24 10.437 1.126 -3.419 207 HG12 VAL 24 2HG1 VAL 24 11.164 1.671 -4.930 208 HG13 VAL 24 3HG1 VAL 24 9.717 2.467 -4.306 209 HG21 VAL 24 1HG2 VAL 24 10.409 3.084 -1.435 210 HG22 VAL 24 2HG2 VAL 24 9.801 4.119 -2.727 211 HG23 VAL 24 3HG2 VAL 24 11.278 4.556 -1.866 212 H VAL 25 H VAL 25 12.164 2.678 -0.169 213 HA VAL 25 HA VAL 25 13.925 4.881 0.277 214 HB VAL 25 HB VAL 25 12.554 3.045 2.247 215 HG11 VAL 25 1HG1 VAL 25 14.503 4.313 3.181 216 HG12 VAL 25 2HG1 VAL 25 12.959 4.726 3.923 217 HG13 VAL 25 3HG1 VAL 25 13.684 5.809 2.734 218 HG21 VAL 25 1HG2 VAL 25 11.547 4.907 0.448 219 HG22 VAL 25 2HG2 VAL 25 11.521 5.731 2.013 220 HG23 VAL 25 3HG2 VAL 25 10.688 4.184 1.813 221 H ALA 26 H ALA 26 14.207 1.501 0.422 222 HA ALA 26 HA ALA 26 16.656 1.410 1.835 223 HB1 ALA 26 1HB ALA 26 14.930 -0.366 1.229 224 HB2 ALA 26 2HB ALA 26 16.637 -0.825 1.303 225 HB3 ALA 26 3HB ALA 26 15.856 -0.549 -0.262 226 H ALA 27 H ALA 27 15.744 2.398 -1.300 227 HA ALA 27 HA ALA 27 18.482 2.254 -2.331 228 HB1 ALA 27 1HB ALA 27 15.967 3.250 -3.683 229 HB2 ALA 27 2HB ALA 27 16.625 1.617 -3.826 230 HB3 ALA 27 3HB ALA 27 17.538 2.992 -4.446 231 H PHE 28 H PHE 28 16.248 4.381 -0.865 232 HA PHE 28 HA PHE 28 17.654 6.795 -1.586 233 HB2 PHE 28 1HB PHE 28 15.251 6.136 0.055 234 HB3 PHE 28 2HB PHE 28 15.997 7.710 0.231 235 HD1 PHE 28 HD1 PHE 28 13.988 5.541 -1.735 236 HD2 PHE 28 HD2 PHE 28 16.057 9.239 -1.758 237 HE1 PHE 28 HE1 PHE 28 12.723 6.213 -3.681 238 HE2 PHE 28 HE2 PHE 28 14.775 9.950 -3.740 239 HZ PHE 28 HZ PHE 28 13.093 8.430 -4.714 240 H ALA 29 H ALA 29 17.264 4.656 1.134 241 HA ALA 29 HA ALA 29 18.743 6.214 2.976 242 HB1 ALA 29 1HB ALA 29 16.955 4.394 3.374 243 HB2 ALA 29 2HB ALA 29 18.297 4.549 4.511 244 HB3 ALA 29 3HB ALA 29 18.317 3.278 3.289 245 H ARG 30 H ARG 30 19.523 3.028 1.477 246 HA ARG 30 HA ARG 30 22.344 3.875 1.634 247 HB2 ARG 30 1HB ARG 30 22.895 1.397 1.511 248 HB3 ARG 30 2HB ARG 30 22.220 1.983 3.020 249 HG2 ARG 30 1HG ARG 30 20.418 0.790 0.966 250 HG3 ARG 30 2HG ARG 30 21.402 -0.256 1.991 251 HD2 ARG 30 1HD ARG 30 20.424 0.736 3.978 252 HD3 ARG 30 2HD ARG 30 19.495 1.852 2.984 253 HE ARG 30 HE ARG 30 18.819 -0.665 2.118 254 HH11 ARG 30 1HH1 ARG 30 18.611 1.155 5.096 255 HH12 ARG 30 2HH1 ARG 30 17.227 0.288 5.680 256 HH21 ARG 30 1HH2 ARG 30 17.002 -1.827 2.887 257 HH22 ARG 30 2HH2 ARG 30 16.317 -1.418 4.429 Start of MODEL 18 1 H1 LYS 1 1H LYS 1 -20.723 9.529 -1.300 2 H2 LYS 1 2H LYS 1 -20.215 10.169 -2.781 3 H3 LYS 1 3H LYS 1 -19.103 9.947 -1.525 4 HA LYS 1 HA LYS 1 -20.560 7.792 -2.922 5 HB2 LYS 1 1HB LYS 1 -18.358 7.201 -3.869 6 HB3 LYS 1 2HB LYS 1 -18.901 8.786 -4.389 7 HG2 LYS 1 1HG LYS 1 -17.390 9.858 -2.843 8 HG3 LYS 1 2HG LYS 1 -16.908 8.294 -2.183 9 HD2 LYS 1 1HD LYS 1 -15.209 9.005 -3.711 10 HD3 LYS 1 2HD LYS 1 -16.088 7.672 -4.458 11 HE2 LYS 1 1HE LYS 1 -15.706 9.380 -6.102 12 HE3 LYS 1 2HE LYS 1 -17.424 9.319 -5.729 13 HZ1 LYS 1 1HZ LYS 1 -16.605 11.592 -5.863 14 HZ2 LYS 1 2HZ LYS 1 -15.493 11.288 -4.628 15 HZ3 LYS 1 3HZ LYS 1 -17.152 11.243 -4.301 16 H ILE 2 H ILE 2 -20.711 5.976 -1.782 17 HA ILE 2 HA ILE 2 -18.859 5.612 0.472 18 HB ILE 2 HB ILE 2 -21.725 4.670 0.256 19 HG12 ILE 2 1HG1 ILE 2 -21.818 6.052 2.471 20 HG13 ILE 2 2HG1 ILE 2 -20.381 6.844 1.837 21 HG21 ILE 2 1HG2 ILE 2 -20.047 3.124 1.322 22 HG22 ILE 2 2HG2 ILE 2 -21.449 3.560 2.307 23 HG23 ILE 2 3HG2 ILE 2 -19.887 4.327 2.605 24 HD11 ILE 2 1HD1 ILE 2 -22.396 8.108 1.345 25 HD12 ILE 2 2HD1 ILE 2 -23.066 6.723 0.483 26 HD13 ILE 2 3HD1 ILE 2 -21.628 7.536 -0.136 27 H ASN 3 H ASN 3 -17.594 3.901 0.327 28 HA ASN 3 HA ASN 3 -18.542 1.451 -0.903 29 HB2 ASN 3 1HB ASN 3 -17.564 2.565 -2.803 30 HB3 ASN 3 2HB ASN 3 -16.119 2.949 -1.884 31 HD21 ASN 3 1HD2 ASN 3 -14.866 1.936 -3.488 32 HD22 ASN 3 2HD2 ASN 3 -14.758 0.211 -3.585 33 H LYS 4 H LYS 4 -18.071 -0.093 0.475 34 HA LYS 4 HA LYS 4 -16.137 0.452 2.570 35 HB2 LYS 4 1HB LYS 4 -18.514 -1.254 2.289 36 HB3 LYS 4 2HB LYS 4 -17.192 -1.996 3.180 37 HG2 LYS 4 1HG LYS 4 -18.825 -0.795 4.603 38 HG3 LYS 4 2HG LYS 4 -17.172 -0.211 4.771 39 HD2 LYS 4 1HD LYS 4 -17.702 1.640 3.231 40 HD3 LYS 4 2HD LYS 4 -19.369 1.067 3.146 41 HE2 LYS 4 1HE LYS 4 -19.219 2.888 4.712 42 HE3 LYS 4 2HE LYS 4 -19.574 1.399 5.584 43 HZ1 LYS 4 1HZ LYS 4 -17.913 2.673 6.745 44 HZ2 LYS 4 2HZ LYS 4 -16.927 2.729 5.375 45 HZ3 LYS 4 3HZ LYS 4 -17.206 1.256 6.156 46 H GLN 5 H GLN 5 -16.513 -1.559 -0.235 47 HA GLN 5 HA GLN 5 -14.498 -3.436 0.305 48 HB2 GLN 5 1HB GLN 5 -16.016 -3.632 -1.615 49 HB3 GLN 5 2HB GLN 5 -15.283 -2.209 -2.336 50 HG2 GLN 5 1HG GLN 5 -14.449 -4.225 -3.380 51 HG3 GLN 5 2HG GLN 5 -13.167 -3.371 -2.529 52 HE21 GLN 5 1HE2 GLN 5 -15.597 -5.319 -0.940 53 HE22 GLN 5 2HE2 GLN 5 -14.528 -6.578 -0.430 54 H LYS 6 H LYS 6 -14.428 -0.161 -0.914 55 HA LYS 6 HA LYS 6 -11.789 0.181 -1.642 56 HB2 LYS 6 1HB LYS 6 -13.160 1.979 -2.074 57 HB3 LYS 6 2HB LYS 6 -13.848 1.965 -0.460 58 HG2 LYS 6 1HG LYS 6 -11.898 2.925 0.473 59 HG3 LYS 6 2HG LYS 6 -11.002 2.713 -1.027 60 HD2 LYS 6 1HD LYS 6 -12.550 4.256 -2.131 61 HD3 LYS 6 2HD LYS 6 -13.370 4.520 -0.593 62 HE2 LYS 6 1HE LYS 6 -11.799 6.321 -1.004 63 HE3 LYS 6 2HE LYS 6 -11.265 5.347 0.369 64 HZ1 LYS 6 1HZ LYS 6 -9.428 5.872 -1.100 65 HZ2 LYS 6 2HZ LYS 6 -10.218 5.147 -2.404 66 HZ3 LYS 6 3HZ LYS 6 -9.714 4.208 -1.094 67 H ILE 7 H ILE 7 -13.188 0.149 1.588 68 HA ILE 7 HA ILE 7 -10.978 1.019 3.021 69 HB ILE 7 HB ILE 7 -13.207 -0.829 3.772 70 HG12 ILE 7 1HG1 ILE 7 -13.213 1.317 5.441 71 HG13 ILE 7 2HG1 ILE 7 -12.505 2.018 4.003 72 HG21 ILE 7 1HG2 ILE 7 -10.968 -1.355 4.940 73 HG22 ILE 7 2HG2 ILE 7 -12.396 -1.105 5.944 74 HG23 ILE 7 3HG2 ILE 7 -11.205 0.184 5.766 75 HD11 ILE 7 1HD1 ILE 7 -14.392 1.317 2.695 76 HD12 ILE 7 2HD1 ILE 7 -14.880 2.354 4.037 77 HD13 ILE 7 3HD1 ILE 7 -15.134 0.610 4.132 78 H LYS 8 H LYS 8 -11.702 -2.192 1.708 79 HA LYS 8 HA LYS 8 -9.316 -3.343 2.867 80 HB2 LYS 8 1HB LYS 8 -10.975 -4.463 0.615 81 HB3 LYS 8 2HB LYS 8 -9.759 -5.321 1.538 82 HG2 LYS 8 1HG LYS 8 -11.805 -6.079 2.359 83 HG3 LYS 8 2HG LYS 8 -11.232 -4.923 3.565 84 HD2 LYS 8 1HD LYS 8 -12.778 -3.325 2.962 85 HD3 LYS 8 2HD LYS 8 -12.982 -3.999 1.338 86 HE2 LYS 8 1HE LYS 8 -14.256 -5.840 2.209 87 HE3 LYS 8 2HE LYS 8 -13.852 -5.409 3.867 88 HZ1 LYS 8 1HZ LYS 8 -16.088 -4.741 3.361 89 HZ2 LYS 8 2HZ LYS 8 -15.575 -3.855 2.018 90 HZ3 LYS 8 3HZ LYS 8 -15.137 -3.358 3.574 91 H ASN 9 H ASN 9 -10.153 -1.568 0.048 92 HA ASN 9 HA ASN 9 -8.160 -2.528 -1.656 93 HB2 ASN 9 1HB ASN 9 -9.389 0.234 -1.497 94 HB3 ASN 9 2HB ASN 9 -8.201 -0.202 -2.708 95 HD21 ASN 9 1HD2 ASN 9 -10.742 -2.357 -1.602 96 HD22 ASN 9 2HD2 ASN 9 -11.655 -2.311 -3.067 97 H GLY 10 H GLY 10 -8.222 0.353 0.396 98 HA2 GLY 10 1HA GLY 10 -5.462 0.935 0.197 99 HA3 GLY 10 2HA GLY 10 -6.559 1.548 1.425 100 H ALA 11 H ALA 11 -7.325 -1.020 2.444 101 HA ALA 11 HA ALA 11 -5.279 -1.405 4.346 102 HB1 ALA 11 1HB ALA 11 -7.775 -1.874 4.583 103 HB2 ALA 11 2HB ALA 11 -6.662 -3.049 5.298 104 HB3 ALA 11 3HB ALA 11 -7.445 -3.402 3.757 105 H LYS 12 H LYS 12 -6.093 -3.039 1.356 106 HA LYS 12 HA LYS 12 -4.261 -5.206 1.802 107 HB2 LYS 12 1HB LYS 12 -6.044 -5.946 0.592 108 HB3 LYS 12 2HB LYS 12 -6.185 -4.451 -0.316 109 HG2 LYS 12 1HG LYS 12 -3.807 -6.169 -0.787 110 HG3 LYS 12 2HG LYS 12 -5.370 -6.668 -1.448 111 HD2 LYS 12 1HD LYS 12 -5.570 -4.337 -2.351 112 HD3 LYS 12 2HD LYS 12 -3.886 -4.103 -1.936 113 HE2 LYS 12 1HE LYS 12 -4.113 -4.729 -4.283 114 HE3 LYS 12 2HE LYS 12 -3.250 -5.971 -3.379 115 HZ1 LYS 12 1HZ LYS 12 -6.137 -6.078 -4.071 116 HZ2 LYS 12 2HZ LYS 12 -5.245 -7.293 -3.305 117 HZ3 LYS 12 3HZ LYS 12 -4.913 -6.884 -4.910 118 H LYS 13 H LYS 13 -4.262 -2.230 -0.079 119 HA LYS 13 HA LYS 13 -1.698 -2.808 -1.228 120 HB2 LYS 13 1HB LYS 13 -1.834 -0.623 -2.205 121 HB3 LYS 13 2HB LYS 13 -3.396 -1.419 -2.397 122 HG2 LYS 13 1HG LYS 13 -4.326 0.371 -1.476 123 HG3 LYS 13 2HG LYS 13 -3.578 -0.112 0.034 124 HD2 LYS 13 1HD LYS 13 -1.595 1.215 -0.527 125 HD3 LYS 13 2HD LYS 13 -2.395 1.755 -2.010 126 HE2 LYS 13 1HE LYS 13 -3.704 2.092 0.659 127 HE3 LYS 13 2HE LYS 13 -2.500 3.256 0.099 128 HZ1 LYS 13 1HZ LYS 13 -4.790 3.914 -0.435 129 HZ2 LYS 13 2HZ LYS 13 -4.967 2.528 -1.389 130 HZ3 LYS 13 3HZ LYS 13 -3.846 3.715 -1.823 131 H ALA 14 H ALA 14 -2.834 -1.585 1.740 132 HA ALA 14 HA ALA 14 -0.623 0.056 2.400 133 HB1 ALA 14 1HB ALA 14 -2.270 -1.693 4.240 134 HB2 ALA 14 2HB ALA 14 -2.662 -0.034 3.785 135 HB3 ALA 14 3HB ALA 14 -1.218 -0.370 4.741 136 H LEU 15 H LEU 15 -1.112 -3.292 2.087 137 HA LEU 15 HA LEU 15 1.488 -4.020 3.160 138 HB2 LEU 15 1HB LEU 15 -0.333 -5.830 1.622 139 HB3 LEU 15 2HB LEU 15 0.746 -6.210 2.946 140 HG LEU 15 HG LEU 15 -1.706 -4.532 3.315 141 HD11 LEU 15 1HD1 LEU 15 -2.431 -6.665 2.446 142 HD12 LEU 15 2HD1 LEU 15 -2.802 -6.570 4.167 143 HD13 LEU 15 3HD1 LEU 15 -1.424 -7.521 3.612 144 HD21 LEU 15 1HD2 LEU 15 -0.038 -4.341 5.063 145 HD22 LEU 15 2HD2 LEU 15 0.018 -6.096 5.234 146 HD23 LEU 15 3HD2 LEU 15 -1.449 -5.213 5.661 147 H GLY 16 H GLY 16 -0.240 -3.612 0.142 148 HA2 GLY 16 1HA GLY 16 1.721 -4.750 -1.580 149 HA3 GLY 16 2HA GLY 16 0.377 -3.709 -2.055 150 H VAL 17 H VAL 17 0.758 -1.445 -0.868 151 HA VAL 17 HA VAL 17 2.827 -0.248 -2.429 152 HB VAL 17 HB VAL 17 0.565 0.710 -1.603 153 HG11 VAL 17 1HG1 VAL 17 0.637 0.677 0.690 154 HG12 VAL 17 2HG1 VAL 17 0.986 2.368 0.308 155 HG13 VAL 17 3HG1 VAL 17 2.299 1.275 0.751 156 HG21 VAL 17 1HG2 VAL 17 2.048 1.912 -3.086 157 HG22 VAL 17 2HG2 VAL 17 3.050 2.409 -1.724 158 HG23 VAL 17 3HG2 VAL 17 1.401 3.017 -1.875 159 H ALA 18 H ALA 18 2.567 -1.244 0.882 160 HA ALA 18 HA ALA 18 4.849 0.017 1.909 161 HB1 ALA 18 1HB ALA 18 3.814 -2.730 2.622 162 HB2 ALA 18 2HB ALA 18 3.256 -1.209 3.322 163 HB3 ALA 18 3HB ALA 18 4.914 -1.749 3.590 164 H SER 19 H SER 19 4.491 -2.600 -0.297 165 HA SER 19 HA SER 19 7.270 -3.437 -0.064 166 HB2 SER 19 1HB SER 19 5.134 -4.405 -1.965 167 HB3 SER 19 2HB SER 19 6.647 -5.221 -1.568 168 HG SER 19 HG SER 19 4.339 -4.877 0.040 169 H LYS 20 H LYS 20 5.671 -0.962 -1.365 170 HA LYS 20 HA LYS 20 7.282 -0.887 -3.791 171 HB2 LYS 20 1HB LYS 20 4.544 0.059 -3.192 172 HB3 LYS 20 2HB LYS 20 5.510 1.034 -4.283 173 HG2 LYS 20 1HG LYS 20 4.101 -0.518 -5.511 174 HG3 LYS 20 2HG LYS 20 5.806 -0.882 -5.763 175 HD2 LYS 20 1HD LYS 20 5.676 -2.707 -4.175 176 HD3 LYS 20 2HD LYS 20 3.995 -2.316 -3.818 177 HE2 LYS 20 1HE LYS 20 4.044 -4.175 -5.335 178 HE3 LYS 20 2HE LYS 20 3.448 -2.761 -6.202 179 HZ1 LYS 20 1HZ LYS 20 5.640 -2.470 -7.169 180 HZ2 LYS 20 2HZ LYS 20 5.047 -4.014 -7.512 181 HZ3 LYS 20 3HZ LYS 20 6.224 -3.810 -6.319 182 H VAL 21 H VAL 21 7.464 -0.021 -0.805 183 HA VAL 21 HA VAL 21 8.592 2.624 -1.331 184 HB VAL 21 HB VAL 21 7.655 3.552 0.669 185 HG11 VAL 21 1HG1 VAL 21 5.459 2.134 -0.797 186 HG12 VAL 21 2HG1 VAL 21 6.262 3.606 -1.357 187 HG13 VAL 21 3HG1 VAL 21 5.309 3.631 0.129 188 HG21 VAL 21 1HG2 VAL 21 6.654 0.777 1.190 189 HG22 VAL 21 2HG2 VAL 21 5.894 2.186 1.938 190 HG23 VAL 21 3HG2 VAL 21 7.595 1.836 2.247 191 H ALA 22 H ALA 22 8.423 -0.232 0.723 192 HA ALA 22 HA ALA 22 10.544 0.461 2.446 193 HB1 ALA 22 1HB ALA 22 9.111 -2.030 1.721 194 HB2 ALA 22 2HB ALA 22 9.263 -1.232 3.290 195 HB3 ALA 22 3HB ALA 22 10.615 -2.162 2.636 196 HA PRO 23 HA PRO 23 13.410 -1.977 -0.513 197 HB2 PRO 23 1HB PRO 23 12.198 -2.028 -3.147 198 HB3 PRO 23 2HB PRO 23 12.762 -3.379 -2.163 199 HG2 PRO 23 1HG PRO 23 10.136 -2.897 -2.700 200 HG3 PRO 23 2HG PRO 23 10.700 -3.738 -1.246 201 HD2 PRO 23 1HD PRO 23 9.825 -0.900 -1.590 202 HD3 PRO 23 2HD PRO 23 9.523 -2.012 -0.245 203 H VAL 24 H VAL 24 11.451 0.682 -1.537 204 HA VAL 24 HA VAL 24 13.471 1.715 -3.322 205 HB VAL 24 HB VAL 24 12.037 3.480 -3.882 206 HG11 VAL 24 1HG1 VAL 24 10.498 0.974 -3.375 207 HG12 VAL 24 2HG1 VAL 24 11.305 1.474 -4.860 208 HG13 VAL 24 3HG1 VAL 24 9.856 2.321 -4.312 209 HG21 VAL 24 1HG2 VAL 24 10.486 2.877 -1.385 210 HG22 VAL 24 2HG2 VAL 24 9.895 3.927 -2.673 211 HG23 VAL 24 3HG2 VAL 24 11.357 4.358 -1.786 212 H VAL 25 H VAL 25 12.199 2.539 -0.110 213 HA VAL 25 HA VAL 25 13.939 4.729 0.357 214 HB VAL 25 HB VAL 25 12.599 2.856 2.321 215 HG11 VAL 25 1HG1 VAL 25 14.551 4.130 3.253 216 HG12 VAL 25 2HG1 VAL 25 13.009 4.503 4.022 217 HG13 VAL 25 3HG1 VAL 25 13.702 5.622 2.849 218 HG21 VAL 25 1HG2 VAL 25 11.481 4.610 0.558 219 HG22 VAL 25 2HG2 VAL 25 11.610 5.592 2.021 220 HG23 VAL 25 3HG2 VAL 25 10.728 4.062 2.058 221 H ALA 26 H ALA 26 14.282 1.353 0.503 222 HA ALA 26 HA ALA 26 16.713 1.283 1.952 223 HB1 ALA 26 1HB ALA 26 14.971 -0.508 1.363 224 HB2 ALA 26 2HB ALA 26 16.671 -0.968 1.506 225 HB3 ALA 26 3HB ALA 26 15.943 -0.744 -0.090 226 H ALA 27 H ALA 27 15.918 2.490 -1.047 227 HA ALA 27 HA ALA 27 18.700 2.307 -2.004 228 HB1 ALA 27 1HB ALA 27 16.161 2.944 -3.523 229 HB2 ALA 27 2HB ALA 27 17.087 1.441 -3.606 230 HB3 ALA 27 3HB ALA 27 17.787 2.941 -4.214 231 H PHE 28 H PHE 28 16.187 4.376 -0.875 232 HA PHE 28 HA PHE 28 17.437 6.827 -1.733 233 HB2 PHE 28 1HB PHE 28 15.003 6.127 -0.156 234 HB3 PHE 28 2HB PHE 28 15.607 7.771 -0.119 235 HD1 PHE 28 HD1 PHE 28 13.904 5.231 -1.924 236 HD2 PHE 28 HD2 PHE 28 15.633 9.088 -2.257 237 HE1 PHE 28 HE1 PHE 28 12.681 5.581 -3.978 238 HE2 PHE 28 HE2 PHE 28 14.390 9.464 -4.353 239 HZ PHE 28 HZ PHE 28 12.901 7.703 -5.226 240 H ALA 29 H ALA 29 16.946 5.046 1.255 241 HA ALA 29 HA ALA 29 18.481 6.886 2.838 242 HB1 ALA 29 1HB ALA 29 17.131 4.260 3.305 243 HB2 ALA 29 2HB ALA 29 16.821 5.826 4.064 244 HB3 ALA 29 3HB ALA 29 18.258 4.902 4.506 245 H ARG 30 H ARG 30 18.921 3.539 1.670 246 HA ARG 30 HA ARG 30 21.781 3.777 2.260 247 HB2 ARG 30 1HB ARG 30 20.120 1.365 1.509 248 HB3 ARG 30 2HB ARG 30 21.862 1.331 1.739 249 HG2 ARG 30 1HG ARG 30 21.158 0.618 3.787 250 HG3 ARG 30 2HG ARG 30 21.258 2.354 4.077 251 HD2 ARG 30 1HD ARG 30 19.194 1.711 4.985 252 HD3 ARG 30 2HD ARG 30 18.795 2.438 3.425 253 HE ARG 30 HE ARG 30 18.850 -0.034 2.652 254 HH11 ARG 30 1HH1 ARG 30 17.652 1.145 5.729 255 HH12 ARG 30 2HH1 ARG 30 16.572 -0.191 5.961 256 HH21 ARG 30 1HH2 ARG 30 17.443 -1.802 2.974 257 HH22 ARG 30 2HH2 ARG 30 16.436 -1.854 4.389 Start of MODEL 19 1 H1 LYS 1 1H LYS 1 -14.221 12.451 -2.700 2 H2 LYS 1 2H LYS 1 -14.197 11.661 -1.209 3 H3 LYS 1 3H LYS 1 -15.633 11.756 -2.092 4 HA LYS 1 HA LYS 1 -14.722 10.384 -3.825 5 HB2 LYS 1 1HB LYS 1 -12.311 10.211 -1.999 6 HB3 LYS 1 2HB LYS 1 -12.540 9.287 -3.474 7 HG2 LYS 1 1HG LYS 1 -12.321 12.287 -3.330 8 HG3 LYS 1 2HG LYS 1 -11.011 11.187 -3.762 9 HD2 LYS 1 1HD LYS 1 -12.367 10.383 -5.668 10 HD3 LYS 1 2HD LYS 1 -13.607 11.568 -5.255 11 HE2 LYS 1 1HE LYS 1 -10.753 12.190 -6.012 12 HE3 LYS 1 2HE LYS 1 -12.154 12.358 -7.068 13 HZ1 LYS 1 1HZ LYS 1 -11.516 14.472 -6.093 14 HZ2 LYS 1 2HZ LYS 1 -11.712 13.847 -4.538 15 HZ3 LYS 1 3HZ LYS 1 -13.051 14.014 -5.555 16 H ILE 2 H ILE 2 -16.676 9.521 -2.757 17 HA ILE 2 HA ILE 2 -16.284 7.848 -0.432 18 HB ILE 2 HB ILE 2 -18.712 8.549 -2.067 19 HG12 ILE 2 1HG1 ILE 2 -19.525 9.272 0.222 20 HG13 ILE 2 2HG1 ILE 2 -17.899 8.967 0.816 21 HG21 ILE 2 1HG2 ILE 2 -18.655 6.103 -1.409 22 HG22 ILE 2 2HG2 ILE 2 -20.066 7.035 -0.897 23 HG23 ILE 2 3HG2 ILE 2 -18.791 6.658 0.262 24 HD11 ILE 2 1HD1 ILE 2 -18.676 10.968 -1.290 25 HD12 ILE 2 2HD1 ILE 2 -17.035 10.655 -0.728 26 HD13 ILE 2 3HD1 ILE 2 -18.235 11.318 0.381 27 H ASN 3 H ASN 3 -15.810 5.787 -0.453 28 HA ASN 3 HA ASN 3 -16.827 3.917 -2.331 29 HB2 ASN 3 1HB ASN 3 -15.142 4.841 -3.805 30 HB3 ASN 3 2HB ASN 3 -13.919 4.698 -2.555 31 HD21 ASN 3 1HD2 ASN 3 -12.612 3.470 -3.926 32 HD22 ASN 3 2HD2 ASN 3 -12.969 1.817 -4.296 33 H LYS 4 H LYS 4 -16.960 2.029 -1.277 34 HA LYS 4 HA LYS 4 -15.638 1.867 1.321 35 HB2 LYS 4 1HB LYS 4 -17.886 0.220 0.138 36 HB3 LYS 4 2HB LYS 4 -17.217 -0.009 1.745 37 HG2 LYS 4 1HG LYS 4 -18.637 2.444 0.741 38 HG3 LYS 4 2HG LYS 4 -19.282 1.237 1.853 39 HD2 LYS 4 1HD LYS 4 -17.448 1.800 3.436 40 HD3 LYS 4 2HD LYS 4 -16.953 3.089 2.339 41 HE2 LYS 4 1HE LYS 4 -19.618 2.852 3.726 42 HE3 LYS 4 2HE LYS 4 -18.326 3.979 4.134 43 HZ1 LYS 4 1HZ LYS 4 -19.955 5.111 2.838 44 HZ2 LYS 4 2HZ LYS 4 -19.919 3.927 1.632 45 HZ3 LYS 4 3HZ LYS 4 -18.574 4.922 1.878 46 H GLN 5 H GLN 5 -15.585 0.452 -1.825 47 HA GLN 5 HA GLN 5 -14.202 -1.919 -1.143 48 HB2 GLN 5 1HB GLN 5 -15.237 -1.464 -3.386 49 HB3 GLN 5 2HB GLN 5 -13.928 -0.332 -3.696 50 HG2 GLN 5 1HG GLN 5 -12.305 -2.100 -3.541 51 HG3 GLN 5 2HG GLN 5 -13.561 -3.260 -3.120 52 HE21 GLN 5 1HE2 GLN 5 -11.679 -3.289 -5.340 53 HE22 GLN 5 2HE2 GLN 5 -12.636 -3.350 -6.778 54 H LYS 6 H LYS 6 -13.271 1.388 -1.734 55 HA LYS 6 HA LYS 6 -10.524 1.285 -1.842 56 HB2 LYS 6 1HB LYS 6 -11.423 3.368 -2.161 57 HB3 LYS 6 2HB LYS 6 -12.449 3.244 -0.745 58 HG2 LYS 6 1HG LYS 6 -10.621 3.621 0.718 59 HG3 LYS 6 2HG LYS 6 -9.458 3.452 -0.591 60 HD2 LYS 6 1HD LYS 6 -9.694 5.781 -0.129 61 HD3 LYS 6 2HD LYS 6 -10.502 5.437 -1.660 62 HE2 LYS 6 1HE LYS 6 -12.658 5.397 -0.538 63 HE3 LYS 6 2HE LYS 6 -11.871 5.685 1.013 64 HZ1 LYS 6 1HZ LYS 6 -11.808 7.549 -1.297 65 HZ2 LYS 6 2HZ LYS 6 -11.150 7.834 0.232 66 HZ3 LYS 6 3HZ LYS 6 -12.825 7.704 0.046 67 H ILE 7 H ILE 7 -12.609 1.029 0.971 68 HA ILE 7 HA ILE 7 -10.716 1.185 2.978 69 HB ILE 7 HB ILE 7 -13.312 -0.285 2.820 70 HG12 ILE 7 1HG1 ILE 7 -13.413 1.503 4.862 71 HG13 ILE 7 2HG1 ILE 7 -12.256 2.280 3.806 72 HG21 ILE 7 1HG2 ILE 7 -11.532 -1.430 4.309 73 HG22 ILE 7 2HG2 ILE 7 -13.119 -1.096 4.999 74 HG23 ILE 7 3HG2 ILE 7 -11.753 -0.043 5.374 75 HD11 ILE 7 1HD1 ILE 7 -13.832 2.199 1.984 76 HD12 ILE 7 2HD1 ILE 7 -14.466 3.089 3.369 77 HD13 ILE 7 3HD1 ILE 7 -15.021 1.445 3.048 78 H LYS 8 H LYS 8 -11.602 -1.618 0.977 79 HA LYS 8 HA LYS 8 -9.706 -3.318 2.365 80 HB2 LYS 8 1HB LYS 8 -10.950 -3.866 -0.314 81 HB3 LYS 8 2HB LYS 8 -10.170 -5.019 0.742 82 HG2 LYS 8 1HG LYS 8 -12.440 -5.470 0.959 83 HG3 LYS 8 2HG LYS 8 -12.032 -4.539 2.401 84 HD2 LYS 8 1HD LYS 8 -13.103 -2.633 1.626 85 HD3 LYS 8 2HD LYS 8 -13.062 -3.184 -0.057 86 HE2 LYS 8 1HE LYS 8 -14.733 -4.874 0.438 87 HE3 LYS 8 2HE LYS 8 -14.680 -4.475 2.153 88 HZ1 LYS 8 1HZ LYS 8 -15.520 -2.251 1.584 89 HZ2 LYS 8 2HZ LYS 8 -16.597 -3.481 1.151 90 HZ3 LYS 8 3HZ LYS 8 -15.660 -2.728 -0.034 91 H ASN 9 H ASN 9 -9.837 -1.271 -0.419 92 HA ASN 9 HA ASN 9 -7.619 -2.237 -1.770 93 HB2 ASN 9 1HB ASN 9 -8.844 0.496 -1.620 94 HB3 ASN 9 2HB ASN 9 -7.336 0.259 -2.484 95 HD21 ASN 9 1HD2 ASN 9 -10.713 -0.532 -2.379 96 HD22 ASN 9 2HD2 ASN 9 -10.862 -0.936 -4.042 97 H GLY 10 H GLY 10 -7.830 0.499 0.484 98 HA2 GLY 10 1HA GLY 10 -5.062 0.912 0.746 99 HA3 GLY 10 2HA GLY 10 -6.284 1.431 1.896 100 H ALA 11 H ALA 11 -7.278 -1.202 2.443 101 HA ALA 11 HA ALA 11 -5.439 -1.981 4.465 102 HB1 ALA 11 1HB ALA 11 -7.975 -2.159 4.525 103 HB2 ALA 11 2HB ALA 11 -7.064 -3.546 5.135 104 HB3 ALA 11 3HB ALA 11 -7.786 -3.604 3.525 105 H LYS 12 H LYS 12 -5.960 -2.892 1.181 106 HA LYS 12 HA LYS 12 -4.414 -5.338 1.431 107 HB2 LYS 12 1HB LYS 12 -6.236 -5.616 0.007 108 HB3 LYS 12 2HB LYS 12 -5.975 -4.066 -0.779 109 HG2 LYS 12 1HG LYS 12 -3.891 -6.176 -1.044 110 HG3 LYS 12 2HG LYS 12 -5.385 -6.314 -1.982 111 HD2 LYS 12 1HD LYS 12 -5.021 -3.998 -2.748 112 HD3 LYS 12 2HD LYS 12 -3.464 -4.003 -1.949 113 HE2 LYS 12 1HE LYS 12 -3.254 -4.475 -4.353 114 HE3 LYS 12 2HE LYS 12 -2.702 -5.822 -3.359 115 HZ1 LYS 12 1HZ LYS 12 -4.079 -6.488 -5.279 116 HZ2 LYS 12 2HZ LYS 12 -5.396 -5.672 -4.597 117 HZ3 LYS 12 3HZ LYS 12 -4.714 -6.995 -3.797 118 H LYS 13 H LYS 13 -4.133 -2.164 -0.102 119 HA LYS 13 HA LYS 13 -1.522 -2.785 -1.126 120 HB2 LYS 13 1HB LYS 13 -1.501 -0.472 -1.916 121 HB3 LYS 13 2HB LYS 13 -2.991 -1.288 -2.380 122 HG2 LYS 13 1HG LYS 13 -4.283 -0.022 -1.032 123 HG3 LYS 13 2HG LYS 13 -3.021 0.170 0.181 124 HD2 LYS 13 1HD LYS 13 -1.886 1.784 -1.258 125 HD3 LYS 13 2HD LYS 13 -3.160 1.594 -2.472 126 HE2 LYS 13 1HE LYS 13 -4.797 2.508 -1.040 127 HE3 LYS 13 2HE LYS 13 -3.743 2.378 0.367 128 HZ1 LYS 13 1HZ LYS 13 -3.860 4.652 -0.340 129 HZ2 LYS 13 2HZ LYS 13 -3.438 4.249 -1.925 130 HZ3 LYS 13 3HZ LYS 13 -2.305 4.080 -0.684 131 H ALA 14 H ALA 14 -2.611 -1.917 1.934 132 HA ALA 14 HA ALA 14 -0.386 -0.265 2.645 133 HB1 ALA 14 1HB ALA 14 -2.068 -2.082 4.386 134 HB2 ALA 14 2HB ALA 14 -2.409 -0.380 4.053 135 HB3 ALA 14 3HB ALA 14 -0.971 -0.830 4.974 136 H LEU 15 H LEU 15 -0.910 -3.524 2.029 137 HA LEU 15 HA LEU 15 1.718 -4.335 3.023 138 HB2 LEU 15 1HB LEU 15 -0.196 -6.139 1.599 139 HB3 LEU 15 2HB LEU 15 0.921 -6.512 2.899 140 HG LEU 15 HG LEU 15 -1.459 -4.757 3.351 141 HD11 LEU 15 1HD1 LEU 15 -2.441 -6.738 2.492 142 HD12 LEU 15 2HD1 LEU 15 -2.576 -6.830 4.250 143 HD13 LEU 15 3HD1 LEU 15 -1.339 -7.765 3.411 144 HD21 LEU 15 1HD2 LEU 15 0.273 -4.727 5.055 145 HD22 LEU 15 2HD2 LEU 15 0.207 -6.484 5.179 146 HD23 LEU 15 3HD2 LEU 15 -1.180 -5.514 5.670 147 H GLY 16 H GLY 16 -0.079 -3.546 0.201 148 HA2 GLY 16 1HA GLY 16 1.758 -4.739 -1.681 149 HA3 GLY 16 2HA GLY 16 0.361 -3.727 -2.055 150 H VAL 17 H VAL 17 0.756 -1.460 -0.837 151 HA VAL 17 HA VAL 17 2.744 -0.290 -2.536 152 HB VAL 17 HB VAL 17 0.424 0.630 -1.795 153 HG11 VAL 17 1HG1 VAL 17 0.583 0.830 0.499 154 HG12 VAL 17 2HG1 VAL 17 0.772 2.485 -0.089 155 HG13 VAL 17 3HG1 VAL 17 2.188 1.563 0.421 156 HG21 VAL 17 1HG2 VAL 17 1.857 1.690 -3.433 157 HG22 VAL 17 2HG2 VAL 17 2.835 2.396 -2.147 158 HG23 VAL 17 3HG2 VAL 17 1.161 2.906 -2.362 159 H ALA 18 H ALA 18 2.514 -1.166 0.780 160 HA ALA 18 HA ALA 18 4.698 0.264 1.798 161 HB1 ALA 18 1HB ALA 18 3.872 -2.556 2.494 162 HB2 ALA 18 2HB ALA 18 3.230 -1.084 3.222 163 HB3 ALA 18 3HB ALA 18 4.923 -1.520 3.458 164 H SER 19 H SER 19 4.531 -2.511 -0.283 165 HA SER 19 HA SER 19 7.365 -3.083 -0.095 166 HB2 SER 19 1HB SER 19 5.167 -4.257 -1.799 167 HB3 SER 19 2HB SER 19 6.818 -4.865 -1.734 168 HG SER 19 HG SER 19 4.875 -4.846 0.336 169 H LYS 20 H LYS 20 5.649 -0.733 -1.400 170 HA LYS 20 HA LYS 20 7.205 -0.648 -3.858 171 HB2 LYS 20 1HB LYS 20 4.440 0.197 -3.225 172 HB3 LYS 20 2HB LYS 20 5.341 1.196 -4.349 173 HG2 LYS 20 1HG LYS 20 3.941 -0.483 -5.474 174 HG3 LYS 20 2HG LYS 20 5.654 -0.671 -5.840 175 HD2 LYS 20 1HD LYS 20 5.809 -2.490 -4.228 176 HD3 LYS 20 2HD LYS 20 4.108 -2.290 -3.812 177 HE2 LYS 20 1HE LYS 20 5.152 -3.003 -6.551 178 HE3 LYS 20 2HE LYS 20 4.523 -4.160 -5.378 179 HZ1 LYS 20 1HZ LYS 20 2.387 -3.050 -5.473 180 HZ2 LYS 20 2HZ LYS 20 2.859 -3.538 -7.019 181 HZ3 LYS 20 3HZ LYS 20 2.988 -1.915 -6.571 182 H VAL 21 H VAL 21 7.306 0.325 -0.853 183 HA VAL 21 HA VAL 21 8.439 2.945 -1.492 184 HB VAL 21 HB VAL 21 7.399 4.012 0.367 185 HG11 VAL 21 1HG1 VAL 21 5.251 2.384 -0.941 186 HG12 VAL 21 2HG1 VAL 21 6.025 3.795 -1.675 187 HG13 VAL 21 3HG1 VAL 21 5.072 3.979 -0.200 188 HG21 VAL 21 1HG2 VAL 21 6.395 1.291 1.135 189 HG22 VAL 21 2HG2 VAL 21 5.712 2.781 1.792 190 HG23 VAL 21 3HG2 VAL 21 7.408 2.391 2.077 191 H ALA 22 H ALA 22 8.196 0.225 0.730 192 HA ALA 22 HA ALA 22 10.262 1.081 2.468 193 HB1 ALA 22 1HB ALA 22 8.789 -1.448 1.989 194 HB2 ALA 22 2HB ALA 22 8.913 -0.476 3.458 195 HB3 ALA 22 3HB ALA 22 10.260 -1.502 2.962 196 HA PRO 23 HA PRO 23 13.124 -1.861 -0.010 197 HB2 PRO 23 1HB PRO 23 11.954 -2.200 -2.658 198 HB3 PRO 23 2HB PRO 23 12.492 -3.433 -1.516 199 HG2 PRO 23 1HG PRO 23 9.885 -3.016 -2.110 200 HG3 PRO 23 2HG PRO 23 10.427 -3.601 -0.526 201 HD2 PRO 23 1HD PRO 23 9.621 -0.844 -1.365 202 HD3 PRO 23 2HD PRO 23 9.244 -1.716 0.131 203 H VAL 24 H VAL 24 11.306 0.668 -1.531 204 HA VAL 24 HA VAL 24 13.421 1.406 -3.320 205 HB VAL 24 HB VAL 24 12.104 3.144 -4.133 206 HG11 VAL 24 1HG1 VAL 24 10.343 0.898 -3.248 207 HG12 VAL 24 2HG1 VAL 24 11.217 1.043 -4.771 208 HG13 VAL 24 3HG1 VAL 24 9.853 2.110 -4.427 209 HG21 VAL 24 1HG2 VAL 24 10.456 3.016 -1.617 210 HG22 VAL 24 2HG2 VAL 24 10.061 3.992 -3.032 211 HG23 VAL 24 3HG2 VAL 24 11.531 4.321 -2.115 212 H VAL 25 H VAL 25 12.132 2.675 -0.263 213 HA VAL 25 HA VAL 25 14.020 4.783 -0.038 214 HB VAL 25 HB VAL 25 12.395 3.374 2.083 215 HG11 VAL 25 1HG1 VAL 25 14.433 4.572 2.948 216 HG12 VAL 25 2HG1 VAL 25 12.901 5.192 3.561 217 HG13 VAL 25 3HG1 VAL 25 13.761 6.063 2.290 218 HG21 VAL 25 1HG2 VAL 25 11.531 4.885 0.026 219 HG22 VAL 25 2HG2 VAL 25 11.793 6.134 1.248 220 HG23 VAL 25 3HG2 VAL 25 10.707 4.783 1.582 221 H ALA 26 H ALA 26 14.052 1.457 0.641 222 HA ALA 26 HA ALA 26 16.410 1.434 2.217 223 HB1 ALA 26 1HB ALA 26 14.554 -0.285 1.854 224 HB2 ALA 26 2HB ALA 26 16.207 -0.853 2.126 225 HB3 ALA 26 3HB ALA 26 15.532 -0.832 0.491 226 H ALA 27 H ALA 27 15.848 2.247 -0.955 227 HA ALA 27 HA ALA 27 18.655 1.715 -1.680 228 HB1 ALA 27 1HB ALA 27 16.271 2.222 -3.471 229 HB2 ALA 27 2HB ALA 27 17.093 0.677 -3.227 230 HB3 ALA 27 3HB ALA 27 17.936 2.005 -4.025 231 H PHE 28 H PHE 28 16.292 4.089 -0.981 232 HA PHE 28 HA PHE 28 17.781 6.278 -2.139 233 HB2 PHE 28 1HB PHE 28 15.197 6.024 -0.663 234 HB3 PHE 28 2HB PHE 28 15.940 7.601 -0.827 235 HD1 PHE 28 HD1 PHE 28 14.146 4.947 -2.353 236 HD2 PHE 28 HD2 PHE 28 16.206 8.569 -3.126 237 HE1 PHE 28 HE1 PHE 28 13.090 5.059 -4.522 238 HE2 PHE 28 HE2 PHE 28 15.138 8.705 -5.344 239 HZ PHE 28 HZ PHE 28 13.565 6.941 -6.055 240 H ALA 29 H ALA 29 16.997 4.986 1.024 241 HA ALA 29 HA ALA 29 18.451 7.020 2.441 242 HB1 ALA 29 1HB ALA 29 16.920 4.571 3.213 243 HB2 ALA 29 2HB ALA 29 16.590 6.262 3.603 244 HB3 ALA 29 3HB ALA 29 17.922 5.418 4.395 245 H ARG 30 H ARG 30 18.851 3.454 2.059 246 HA ARG 30 HA ARG 30 21.714 3.937 2.496 247 HB2 ARG 30 1HB ARG 30 21.866 1.837 3.784 248 HB3 ARG 30 2HB ARG 30 20.881 3.052 4.575 249 HG2 ARG 30 1HG ARG 30 19.633 0.901 2.910 250 HG3 ARG 30 2HG ARG 30 20.094 0.610 4.585 251 HD2 ARG 30 1HD ARG 30 18.642 2.385 5.334 252 HD3 ARG 30 2HD ARG 30 18.255 2.815 3.670 253 HE ARG 30 HE ARG 30 17.539 0.242 3.777 254 HH11 ARG 30 1HH1 ARG 30 16.784 2.982 5.816 255 HH12 ARG 30 2HH1 ARG 30 15.242 2.356 6.306 256 HH21 ARG 30 1HH2 ARG 30 15.515 -0.604 4.449 257 HH22 ARG 30 2HH2 ARG 30 14.532 0.307 5.550 Start of MODEL 20 1 H1 LYS 1 1H LYS 1 -15.829 12.528 -2.007 2 H2 LYS 1 2H LYS 1 -15.701 11.215 -3.059 3 H3 LYS 1 3H LYS 1 -15.210 12.750 -3.564 4 HA LYS 1 HA LYS 1 -13.321 11.392 -3.055 5 HB2 LYS 1 1HB LYS 1 -13.781 13.547 -0.989 6 HB3 LYS 1 2HB LYS 1 -12.216 12.876 -1.427 7 HG2 LYS 1 1HG LYS 1 -14.047 14.422 -3.245 8 HG3 LYS 1 2HG LYS 1 -12.575 15.027 -2.489 9 HD2 LYS 1 1HD LYS 1 -11.233 13.469 -3.741 10 HD3 LYS 1 2HD LYS 1 -12.675 12.694 -4.396 11 HE2 LYS 1 1HE LYS 1 -11.854 15.554 -4.883 12 HE3 LYS 1 2HE LYS 1 -11.616 14.220 -6.009 13 HZ1 LYS 1 1HZ LYS 1 -13.574 15.470 -6.592 14 HZ2 LYS 1 2HZ LYS 1 -14.233 15.253 -5.050 15 HZ3 LYS 1 3HZ LYS 1 -14.030 13.925 -6.079 16 H ILE 2 H ILE 2 -15.877 11.130 -0.864 17 HA ILE 2 HA ILE 2 -14.339 9.511 1.002 18 HB ILE 2 HB ILE 2 -17.223 10.407 1.056 19 HG12 ILE 2 1HG1 ILE 2 -15.624 12.200 1.543 20 HG13 ILE 2 2HG1 ILE 2 -16.518 11.755 2.991 21 HG21 ILE 2 1HG2 ILE 2 -16.771 8.144 2.030 22 HG22 ILE 2 2HG2 ILE 2 -17.480 9.321 3.140 23 HG23 ILE 2 3HG2 ILE 2 -15.758 8.943 3.235 24 HD11 ILE 2 1HD1 ILE 2 -13.699 10.943 2.317 25 HD12 ILE 2 2HD1 ILE 2 -14.593 10.434 3.748 26 HD13 ILE 2 3HD1 ILE 2 -14.196 12.136 3.517 27 H ASN 3 H ASN 3 -14.416 7.366 1.023 28 HA ASN 3 HA ASN 3 -16.556 5.841 -0.103 29 HB2 ASN 3 1HB ASN 3 -15.501 6.369 -2.190 30 HB3 ASN 3 2HB ASN 3 -13.912 6.005 -1.541 31 HD21 ASN 3 1HD2 ASN 3 -13.517 4.569 -3.211 32 HD22 ASN 3 2HD2 ASN 3 -14.257 3.005 -3.280 33 H LYS 4 H LYS 4 -16.703 4.146 1.188 34 HA LYS 4 HA LYS 4 -14.604 3.748 3.130 35 HB2 LYS 4 1HB LYS 4 -17.317 2.439 2.864 36 HB3 LYS 4 2HB LYS 4 -16.215 2.202 4.212 37 HG2 LYS 4 1HG LYS 4 -17.512 4.802 3.415 38 HG3 LYS 4 2HG LYS 4 -17.960 3.786 4.787 39 HD2 LYS 4 1HD LYS 4 -15.696 4.124 5.729 40 HD3 LYS 4 2HD LYS 4 -15.322 5.200 4.383 41 HE2 LYS 4 1HE LYS 4 -15.940 6.470 6.363 42 HE3 LYS 4 2HE LYS 4 -17.119 6.701 5.074 43 HZ1 LYS 4 1HZ LYS 4 -18.122 6.356 7.282 44 HZ2 LYS 4 2HZ LYS 4 -17.458 4.804 7.332 45 HZ3 LYS 4 3HZ LYS 4 -18.608 5.194 6.155 46 H GLN 5 H GLN 5 -15.762 2.228 0.277 47 HA GLN 5 HA GLN 5 -14.598 -0.321 0.628 48 HB2 GLN 5 1HB GLN 5 -16.192 0.178 -1.173 49 HB3 GLN 5 2HB GLN 5 -15.032 1.293 -1.879 50 HG2 GLN 5 1HG GLN 5 -15.061 -0.792 -3.097 51 HG3 GLN 5 2HG GLN 5 -13.507 -0.534 -2.311 52 HE21 GLN 5 1HE2 GLN 5 -12.861 -1.903 -0.666 53 HE22 GLN 5 2HE2 GLN 5 -13.701 -3.369 -0.286 54 H LYS 6 H LYS 6 -13.420 2.760 -0.545 55 HA LYS 6 HA LYS 6 -10.887 1.978 -1.443 56 HB2 LYS 6 1HB LYS 6 -11.525 4.067 -2.138 57 HB3 LYS 6 2HB LYS 6 -12.095 4.527 -0.546 58 HG2 LYS 6 1HG LYS 6 -9.884 4.832 0.250 59 HG3 LYS 6 2HG LYS 6 -9.197 4.106 -1.199 60 HD2 LYS 6 1HD LYS 6 -8.961 6.465 -1.409 61 HD3 LYS 6 2HD LYS 6 -10.248 5.946 -2.500 62 HE2 LYS 6 1HE LYS 6 -11.936 6.699 -0.975 63 HE3 LYS 6 2HE LYS 6 -10.725 7.054 0.256 64 HZ1 LYS 6 1HZ LYS 6 -11.470 9.055 -0.894 65 HZ2 LYS 6 2HZ LYS 6 -10.955 8.418 -2.373 66 HZ3 LYS 6 3HZ LYS 6 -9.824 8.774 -1.168 67 H ILE 7 H ILE 7 -12.040 2.801 1.776 68 HA ILE 7 HA ILE 7 -9.604 2.965 3.064 69 HB ILE 7 HB ILE 7 -12.268 2.051 4.060 70 HG12 ILE 7 1HG1 ILE 7 -11.364 4.114 5.596 71 HG13 ILE 7 2HG1 ILE 7 -10.581 4.459 4.072 72 HG21 ILE 7 1HG2 ILE 7 -10.261 0.817 5.141 73 HG22 ILE 7 2HG2 ILE 7 -11.476 1.554 6.184 74 HG23 ILE 7 3HG2 ILE 7 -9.935 2.370 5.909 75 HD11 ILE 7 1HD1 ILE 7 -12.747 4.374 2.959 76 HD12 ILE 7 2HD1 ILE 7 -12.629 5.647 4.178 77 HD13 ILE 7 3HD1 ILE 7 -13.514 4.163 4.536 78 H LYS 8 H LYS 8 -11.358 0.074 1.976 79 HA LYS 8 HA LYS 8 -9.370 -1.653 3.196 80 HB2 LYS 8 1HB LYS 8 -11.316 -2.523 1.099 81 HB3 LYS 8 2HB LYS 8 -10.458 -3.523 2.248 82 HG2 LYS 8 1HG LYS 8 -12.546 -3.508 3.159 83 HG3 LYS 8 2HG LYS 8 -11.802 -2.151 4.011 84 HD2 LYS 8 1HD LYS 8 -13.020 -0.596 2.887 85 HD3 LYS 8 2HD LYS 8 -13.139 -1.593 1.431 86 HE2 LYS 8 1HE LYS 8 -15.318 -1.424 2.445 87 HE3 LYS 8 2HE LYS 8 -14.713 -3.067 2.643 88 HZ1 LYS 8 1HZ LYS 8 -14.119 -2.568 4.906 89 HZ2 LYS 8 2HZ LYS 8 -15.752 -2.206 4.661 90 HZ3 LYS 8 3HZ LYS 8 -14.611 -0.962 4.724 91 H ASN 9 H ASN 9 -9.830 -0.003 0.193 92 HA ASN 9 HA ASN 9 -8.199 -1.649 -1.400 93 HB2 ASN 9 1HB ASN 9 -8.285 1.369 -1.662 94 HB3 ASN 9 2HB ASN 9 -7.873 0.214 -2.908 95 HD21 ASN 9 1HD2 ASN 9 -10.293 -1.420 -1.888 96 HD22 ASN 9 2HD2 ASN 9 -11.626 -0.602 -2.624 97 H GLY 10 H GLY 10 -7.506 1.327 0.370 98 HA2 GLY 10 1HA GLY 10 -4.698 1.207 0.024 99 HA3 GLY 10 2HA GLY 10 -5.556 2.216 1.180 100 H ALA 11 H ALA 11 -6.859 -0.152 2.398 101 HA ALA 11 HA ALA 11 -4.825 -0.750 4.307 102 HB1 ALA 11 1HB ALA 11 -7.287 -0.552 4.797 103 HB2 ALA 11 2HB ALA 11 -6.489 -1.971 5.482 104 HB3 ALA 11 3HB ALA 11 -7.485 -2.133 4.036 105 H LYS 12 H LYS 12 -6.106 -2.329 1.474 106 HA LYS 12 HA LYS 12 -4.889 -4.860 2.131 107 HB2 LYS 12 1HB LYS 12 -6.793 -5.310 1.007 108 HB3 LYS 12 2HB LYS 12 -6.693 -3.855 0.036 109 HG2 LYS 12 1HG LYS 12 -4.714 -6.001 -0.479 110 HG3 LYS 12 2HG LYS 12 -6.386 -6.254 -1.005 111 HD2 LYS 12 1HD LYS 12 -6.156 -3.854 -1.934 112 HD3 LYS 12 2HD LYS 12 -4.432 -4.156 -1.837 113 HE2 LYS 12 1HE LYS 12 -6.456 -5.768 -3.385 114 HE3 LYS 12 2HE LYS 12 -5.228 -4.701 -4.057 115 HZ1 LYS 12 1HZ LYS 12 -4.703 -7.184 -2.521 116 HZ2 LYS 12 2HZ LYS 12 -3.525 -6.166 -3.178 117 HZ3 LYS 12 3HZ LYS 12 -4.572 -7.015 -4.197 118 H LYS 13 H LYS 13 -4.238 -2.159 -0.022 119 HA LYS 13 HA LYS 13 -1.862 -3.451 -1.022 120 HB2 LYS 13 1HB LYS 13 -1.532 -1.399 -2.309 121 HB3 LYS 13 2HB LYS 13 -3.155 -2.045 -2.550 122 HG2 LYS 13 1HG LYS 13 -4.145 -0.274 -1.620 123 HG3 LYS 13 2HG LYS 13 -2.943 -0.152 -0.340 124 HD2 LYS 13 1HD LYS 13 -1.401 0.949 -1.868 125 HD3 LYS 13 2HD LYS 13 -2.594 0.820 -3.172 126 HE2 LYS 13 1HE LYS 13 -4.113 2.248 -2.033 127 HE3 LYS 13 2HE LYS 13 -3.152 2.187 -0.556 128 HZ1 LYS 13 1HZ LYS 13 -2.841 4.271 -1.741 129 HZ2 LYS 13 2HZ LYS 13 -2.322 3.443 -3.119 130 HZ3 LYS 13 3HZ LYS 13 -1.396 3.394 -1.707 131 H ALA 14 H ALA 14 -2.698 -1.738 1.747 132 HA ALA 14 HA ALA 14 -0.294 -0.300 2.171 133 HB1 ALA 14 1HB ALA 14 -2.051 -1.675 4.216 134 HB2 ALA 14 2HB ALA 14 -2.261 -0.022 3.632 135 HB3 ALA 14 3HB ALA 14 -0.828 -0.454 4.567 136 H LEU 15 H LEU 15 -1.167 -3.556 2.145 137 HA LEU 15 HA LEU 15 1.289 -4.541 3.325 138 HB2 LEU 15 1HB LEU 15 -0.735 -6.190 1.857 139 HB3 LEU 15 2HB LEU 15 0.259 -6.632 3.229 140 HG LEU 15 HG LEU 15 -1.935 -4.600 3.437 141 HD11 LEU 15 1HD1 LEU 15 -3.057 -6.557 2.713 142 HD12 LEU 15 2HD1 LEU 15 -3.268 -6.476 4.464 143 HD13 LEU 15 3HD1 LEU 15 -2.089 -7.588 3.769 144 HD21 LEU 15 1HD2 LEU 15 -0.279 -4.560 5.216 145 HD22 LEU 15 2HD2 LEU 15 -0.509 -6.287 5.492 146 HD23 LEU 15 3HD2 LEU 15 -1.824 -5.159 5.823 147 H GLY 16 H GLY 16 -0.292 -4.184 0.209 148 HA2 GLY 16 1HA GLY 16 1.676 -5.626 -1.299 149 HA3 GLY 16 2HA GLY 16 0.381 -4.617 -1.939 150 H VAL 17 H VAL 17 0.803 -2.222 -1.019 151 HA VAL 17 HA VAL 17 2.944 -1.305 -2.683 152 HB VAL 17 HB VAL 17 0.658 -0.225 -2.037 153 HG11 VAL 17 1HG1 VAL 17 0.838 0.108 0.246 154 HG12 VAL 17 2HG1 VAL 17 1.049 1.714 -0.459 155 HG13 VAL 17 3HG1 VAL 17 2.453 0.809 0.111 156 HG21 VAL 17 1HG2 VAL 17 2.143 0.653 -3.737 157 HG22 VAL 17 2HG2 VAL 17 3.148 1.401 -2.497 158 HG23 VAL 17 3HG2 VAL 17 1.501 1.972 -2.758 159 H ALA 18 H ALA 18 2.660 -2.106 0.601 160 HA ALA 18 HA ALA 18 4.773 -0.693 1.744 161 HB1 ALA 18 1HB ALA 18 4.058 -3.576 2.287 162 HB2 ALA 18 2HB ALA 18 3.279 -2.174 3.022 163 HB3 ALA 18 3HB ALA 18 4.980 -2.508 3.347 164 H SER 19 H SER 19 4.807 -3.319 -0.533 165 HA SER 19 HA SER 19 7.676 -3.734 -0.272 166 HB2 SER 19 1HB SER 19 5.617 -4.979 -2.103 167 HB3 SER 19 2HB SER 19 7.307 -5.476 -1.996 168 HG SER 19 HG SER 19 6.536 -5.574 0.437 169 H LYS 20 H LYS 20 5.831 -1.444 -1.512 170 HA LYS 20 HA LYS 20 7.384 -1.143 -3.960 171 HB2 LYS 20 1HB LYS 20 4.599 -0.368 -3.234 172 HB3 LYS 20 2HB LYS 20 5.460 0.576 -4.434 173 HG2 LYS 20 1HG LYS 20 4.025 -1.140 -5.442 174 HG3 LYS 20 2HG LYS 20 5.725 -1.369 -5.843 175 HD2 LYS 20 1HD LYS 20 5.905 -3.109 -4.150 176 HD3 LYS 20 2HD LYS 20 4.222 -2.863 -3.694 177 HE2 LYS 20 1HE LYS 20 4.500 -4.812 -5.153 178 HE3 LYS 20 2HE LYS 20 3.501 -3.571 -5.904 179 HZ1 LYS 20 1HZ LYS 20 5.154 -4.559 -7.421 180 HZ2 LYS 20 2HZ LYS 20 6.396 -3.942 -6.450 181 HZ3 LYS 20 3HZ LYS 20 5.342 -2.888 -7.247 182 H VAL 21 H VAL 21 7.559 -0.366 -0.957 183 HA VAL 21 HA VAL 21 8.450 2.381 -1.377 184 HB VAL 21 HB VAL 21 7.432 3.167 0.632 185 HG11 VAL 21 1HG1 VAL 21 5.362 1.567 -0.832 186 HG12 VAL 21 2HG1 VAL 21 6.006 3.123 -1.368 187 HG13 VAL 21 3HG1 VAL 21 5.081 3.020 0.132 188 HG21 VAL 21 1HG2 VAL 21 6.733 0.297 1.126 189 HG22 VAL 21 2HG2 VAL 21 5.829 1.606 1.897 190 HG23 VAL 21 3HG2 VAL 21 7.562 1.441 2.188 191 H ALA 22 H ALA 22 8.509 -0.555 0.560 192 HA ALA 22 HA ALA 22 10.575 0.180 2.311 193 HB1 ALA 22 1HB ALA 22 9.376 -2.378 1.407 194 HB2 ALA 22 2HB ALA 22 9.429 -1.669 3.023 195 HB3 ALA 22 3HB ALA 22 10.871 -2.425 2.341 196 HA PRO 23 HA PRO 23 13.640 -1.835 -0.780 197 HB2 PRO 23 1HB PRO 23 12.411 -1.822 -3.413 198 HB3 PRO 23 2HB PRO 23 13.108 -3.175 -2.522 199 HG2 PRO 23 1HG PRO 23 10.448 -2.914 -3.004 200 HG3 PRO 23 2HG PRO 23 11.103 -3.763 -1.593 201 HD2 PRO 23 1HD PRO 23 9.977 -1.001 -1.803 202 HD3 PRO 23 2HD PRO 23 9.774 -2.203 -0.517 203 H VAL 24 H VAL 24 11.468 0.707 -1.676 204 HA VAL 24 HA VAL 24 13.403 2.015 -3.372 205 HB VAL 24 HB VAL 24 11.832 3.679 -3.837 206 HG11 VAL 24 1HG1 VAL 24 10.517 1.030 -3.471 207 HG12 VAL 24 2HG1 VAL 24 11.212 1.718 -4.938 208 HG13 VAL 24 3HG1 VAL 24 9.713 2.374 -4.277 209 HG21 VAL 24 1HG2 VAL 24 10.328 2.840 -1.381 210 HG22 VAL 24 2HG2 VAL 24 9.686 3.932 -2.606 211 HG23 VAL 24 3HG2 VAL 24 11.118 4.387 -1.683 212 H VAL 25 H VAL 25 12.078 2.499 -0.115 213 HA VAL 25 HA VAL 25 13.657 4.780 0.494 214 HB VAL 25 HB VAL 25 12.417 2.723 2.330 215 HG11 VAL 25 1HG1 VAL 25 14.299 4.028 3.349 216 HG12 VAL 25 2HG1 VAL 25 12.740 4.274 4.133 217 HG13 VAL 25 3HG1 VAL 25 13.379 5.500 3.038 218 HG21 VAL 25 1HG2 VAL 25 11.164 4.439 0.677 219 HG22 VAL 25 2HG2 VAL 25 11.337 5.460 2.106 220 HG23 VAL 25 3HG2 VAL 25 10.496 3.912 2.222 221 H ALA 26 H ALA 26 14.208 1.433 0.436 222 HA ALA 26 HA ALA 26 16.658 1.422 1.855 223 HB1 ALA 26 1HB ALA 26 15.031 -0.432 1.215 224 HB2 ALA 26 2HB ALA 26 16.763 -0.795 1.230 225 HB3 ALA 26 3HB ALA 26 15.930 -0.504 -0.302 226 H ALA 27 H ALA 27 15.780 2.888 -0.953 227 HA ALA 27 HA ALA 27 18.565 2.949 -1.916 228 HB1 ALA 27 1HB ALA 27 15.999 3.443 -3.445 229 HB2 ALA 27 2HB ALA 27 17.071 2.048 -3.603 230 HB3 ALA 27 3HB ALA 27 17.627 3.646 -4.100 231 H PHE 28 H PHE 28 15.880 4.721 -0.675 232 HA PHE 28 HA PHE 28 16.938 7.327 -1.343 233 HB2 PHE 28 1HB PHE 28 14.528 6.328 0.113 234 HB3 PHE 28 2HB PHE 28 14.995 8.009 0.267 235 HD1 PHE 28 HD1 PHE 28 13.532 5.470 -1.728 236 HD2 PHE 28 HD2 PHE 28 14.993 9.449 -1.793 237 HE1 PHE 28 HE1 PHE 28 12.342 5.849 -3.792 238 HE2 PHE 28 HE2 PHE 28 13.778 9.861 -3.901 239 HZ PHE 28 HZ PHE 28 12.440 8.049 -4.915 240 H ALA 29 H ALA 29 16.703 5.195 1.406 241 HA ALA 29 HA ALA 29 18.041 7.060 3.169 242 HB1 ALA 29 1HB ALA 29 16.848 4.332 3.457 243 HB2 ALA 29 2HB ALA 29 16.432 5.827 4.303 244 HB3 ALA 29 3HB ALA 29 17.922 4.973 4.705 245 H ARG 30 H ARG 30 18.650 3.834 1.798 246 HA ARG 30 HA ARG 30 21.438 3.929 2.537 247 HB2 ARG 30 1HB ARG 30 19.667 1.942 1.229 248 HB3 ARG 30 2HB ARG 30 21.412 1.786 1.067 249 HG2 ARG 30 1HG ARG 30 21.664 1.713 3.467 250 HG3 ARG 30 2HG ARG 30 19.927 1.960 3.673 251 HD2 ARG 30 1HD ARG 30 20.798 -0.239 1.936 252 HD3 ARG 30 2HD ARG 30 21.042 -0.453 3.671 253 HE ARG 30 HE ARG 30 18.435 0.422 3.332 254 HH11 ARG 30 1HH1 ARG 30 20.336 -2.323 2.296 255 HH12 ARG 30 2HH1 ARG 30 19.012 -3.436 2.382 256 HH21 ARG 30 1HH2 ARG 30 16.683 -1.054 3.459 257 HH22 ARG 30 2HH2 ARG 30 16.937 -2.718 3.034
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