NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504525 | 2em8 | 10198 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 14.820 -19.351 4.904 2 HA2 GLY 1 1HA GLY 1 14.208 -20.767 2.513 3 HA3 GLY 1 2HA GLY 1 12.833 -20.779 3.608 4 H SER 2 H SER 2 12.333 -19.633 1.303 5 HA SER 2 HA SER 2 12.569 -16.736 1.796 6 HB2 SER 2 1HB SER 2 12.574 -18.319 -0.759 7 HB3 SER 2 2HB SER 2 12.074 -16.628 -0.758 8 HG SER 2 HG SER 2 14.259 -16.677 -1.145 9 H SER 3 H SER 3 10.577 -18.199 3.052 10 HA SER 3 HA SER 3 8.146 -18.357 1.655 11 HB2 SER 3 1HB SER 3 8.711 -17.977 4.602 12 HB3 SER 3 2HB SER 3 7.104 -18.287 3.945 13 HG SER 3 HG SER 3 9.155 -20.015 4.397 14 H GLY 4 H GLY 4 6.218 -16.999 2.011 15 HA2 GLY 4 1HA GLY 4 6.906 -14.158 2.421 16 HA3 GLY 4 2HA GLY 4 5.965 -14.667 1.027 17 H SER 5 H SER 5 4.911 -12.776 2.633 18 HA SER 5 HA SER 5 3.280 -13.859 4.715 19 HB2 SER 5 1HB SER 5 4.100 -11.401 4.339 20 HB3 SER 5 2HB SER 5 2.655 -11.267 3.337 21 HG SER 5 HG SER 5 2.231 -10.669 5.495 22 H SER 6 H SER 6 1.574 -15.110 4.403 23 HA SER 6 HA SER 6 0.334 -15.478 1.888 24 HB2 SER 6 1HB SER 6 -0.719 -16.243 4.622 25 HB3 SER 6 2HB SER 6 -1.240 -16.913 3.076 26 HG SER 6 HG SER 6 1.455 -17.035 3.905 27 H GLY 7 H GLY 7 -0.488 -13.583 1.066 28 HA2 GLY 7 1HA GLY 7 -2.179 -11.854 2.615 29 HA3 GLY 7 2HA GLY 7 -1.858 -11.730 0.891 30 H SER 8 H SER 8 -4.360 -11.676 2.645 31 HA SER 8 HA SER 8 -5.874 -13.696 1.121 32 HB2 SER 8 1HB SER 8 -6.118 -12.774 3.959 33 HB3 SER 8 2HB SER 8 -7.562 -13.322 3.109 34 HG SER 8 HG SER 8 -5.783 -14.818 4.287 35 H GLY 9 H GLY 9 -7.563 -13.023 -0.079 36 HA2 GLY 9 1HA GLY 9 -9.404 -11.575 -0.549 37 HA3 GLY 9 2HA GLY 9 -8.579 -10.295 0.327 38 H GLU 10 H GLU 10 -9.467 -11.290 -2.669 39 HA GLU 10 HA GLU 10 -7.113 -10.315 -4.074 40 HB2 GLU 10 1HB GLU 10 -9.682 -11.616 -4.916 41 HB3 GLU 10 2HB GLU 10 -8.688 -10.777 -6.099 42 HG2 GLU 10 1HG GLU 10 -7.915 -12.917 -6.308 43 HG3 GLU 10 2HG GLU 10 -6.778 -12.261 -5.132 44 H LYS 11 H LYS 11 -6.942 -8.386 -5.083 45 HA LYS 11 HA LYS 11 -9.222 -6.538 -4.819 46 HB2 LYS 11 1HB LYS 11 -6.249 -6.073 -4.700 47 HB3 LYS 11 2HB LYS 11 -7.378 -4.757 -4.997 48 HG2 LYS 11 1HG LYS 11 -7.011 -4.665 -2.709 49 HG3 LYS 11 2HG LYS 11 -8.541 -5.534 -2.847 50 HD2 LYS 11 1HD LYS 11 -7.464 -6.908 -1.376 51 HD3 LYS 11 2HD LYS 11 -6.919 -7.630 -2.892 52 HE2 LYS 11 1HE LYS 11 -4.945 -7.418 -1.704 53 HE3 LYS 11 2HE LYS 11 -4.950 -5.958 -2.692 54 HZ1 LYS 11 3HZ LYS 11 -4.462 -5.850 -0.142 55 HZ2 LYS 11 1HZ LYS 11 -6.150 -5.843 -0.020 56 HZ3 LYS 11 2HZ LYS 11 -5.360 -4.632 -0.898 57 HA PRO 12 HA PRO 12 -9.400 -6.231 -9.206 58 HB2 PRO 12 1HB PRO 12 -10.585 -3.798 -9.424 59 HB3 PRO 12 2HB PRO 12 -11.454 -5.247 -8.905 60 HG2 PRO 12 1HG PRO 12 -10.299 -3.036 -7.250 61 HG3 PRO 12 2HG PRO 12 -11.863 -3.856 -7.087 62 HD2 PRO 12 1HD PRO 12 -9.733 -4.458 -5.526 63 HD3 PRO 12 2HD PRO 12 -10.942 -5.668 -6.000 64 H TYR 13 H TYR 13 -8.239 -3.356 -7.461 65 HA TYR 13 HA TYR 13 -6.568 -2.659 -9.767 66 HB2 TYR 13 1HB TYR 13 -7.031 -1.018 -7.274 67 HB3 TYR 13 2HB TYR 13 -6.353 -0.474 -8.805 68 HD1 TYR 13 HD1 TYR 13 -7.868 -0.445 -10.845 69 HD2 TYR 13 HD2 TYR 13 -9.345 -0.922 -6.884 70 HE1 TYR 13 HE1 TYR 13 -10.110 0.220 -11.607 71 HE2 TYR 13 HE2 TYR 13 -11.592 -0.260 -7.635 72 HH TYR 13 HH TYR 13 -12.195 0.698 -10.999 73 H LYS 14 H LYS 14 -4.362 -2.535 -9.653 74 HA LYS 14 HA LYS 14 -3.047 -3.133 -7.111 75 HB2 LYS 14 1HB LYS 14 -2.709 -4.737 -9.647 76 HB3 LYS 14 2HB LYS 14 -1.575 -4.802 -8.304 77 HG2 LYS 14 1HG LYS 14 -3.002 -5.972 -6.971 78 HG3 LYS 14 2HG LYS 14 -4.445 -5.284 -7.721 79 HD2 LYS 14 1HD LYS 14 -4.124 -6.666 -9.683 80 HD3 LYS 14 2HD LYS 14 -2.610 -7.294 -9.027 81 HE2 LYS 14 1HE LYS 14 -5.151 -7.581 -7.477 82 HE3 LYS 14 2HE LYS 14 -4.800 -8.686 -8.805 83 HZ1 LYS 14 3HZ LYS 14 -2.490 -8.566 -7.315 84 HZ2 LYS 14 1HZ LYS 14 -3.597 -9.844 -7.369 85 HZ3 LYS 14 2HZ LYS 14 -3.735 -8.656 -6.174 86 H CYS 15 H CYS 15 -1.184 -2.046 -6.832 87 HA CYS 15 HA CYS 15 -0.481 0.068 -8.517 88 HB2 CYS 15 1HB CYS 15 0.082 -0.142 -6.078 89 HB3 CYS 15 2HB CYS 15 1.339 -1.291 -6.523 90 H VAL 16 H VAL 16 1.508 0.410 -9.708 91 HA VAL 16 HA VAL 16 2.357 -2.035 -11.104 92 HB VAL 16 HB VAL 16 1.302 -0.244 -12.479 93 HG11 VAL 16 1HG1 VAL 16 3.805 1.322 -11.866 94 HG12 VAL 16 2HG1 VAL 16 2.471 1.813 -12.912 95 HG13 VAL 16 3HG1 VAL 16 2.218 1.658 -11.174 96 HG21 VAL 16 3HG2 VAL 16 2.743 -1.815 -13.569 97 HG22 VAL 16 1HG2 VAL 16 3.091 -0.213 -14.221 98 HG23 VAL 16 2HG2 VAL 16 4.181 -0.941 -13.041 99 H GLU 17 H GLU 17 3.440 0.511 -9.071 100 HA GLU 17 HA GLU 17 6.225 0.303 -9.755 101 HB2 GLU 17 1HB GLU 17 4.872 1.591 -7.377 102 HB3 GLU 17 2HB GLU 17 6.574 1.756 -7.785 103 HG2 GLU 17 1HG GLU 17 4.269 2.665 -9.494 104 HG3 GLU 17 2HG GLU 17 5.267 3.700 -8.475 105 H CYS 18 H CYS 18 4.232 -0.701 -6.982 106 HA CYS 18 HA CYS 18 6.412 -2.494 -6.152 107 HB2 CYS 18 1HB CYS 18 5.235 -2.554 -3.952 108 HB3 CYS 18 2HB CYS 18 5.796 -0.948 -4.406 109 H GLY 19 H GLY 19 2.944 -2.333 -6.804 110 HA2 GLY 19 1HA GLY 19 1.893 -4.174 -7.970 111 HA3 GLY 19 2HA GLY 19 2.966 -5.266 -7.107 112 H LYS 20 H LYS 20 1.613 -2.702 -5.277 113 HA LYS 20 HA LYS 20 0.368 -4.417 -3.439 114 HB2 LYS 20 1HB LYS 20 0.261 -1.464 -3.941 115 HB3 LYS 20 2HB LYS 20 -0.830 -2.190 -2.769 116 HG2 LYS 20 1HG LYS 20 2.143 -2.591 -2.662 117 HG3 LYS 20 2HG LYS 20 1.334 -1.233 -1.876 118 HD2 LYS 20 1HD LYS 20 0.875 -4.169 -1.352 119 HD3 LYS 20 2HD LYS 20 1.650 -3.007 -0.272 120 HE2 LYS 20 1HE LYS 20 -0.559 -1.718 -0.383 121 HE3 LYS 20 2HE LYS 20 -1.239 -3.190 -1.076 122 HZ1 LYS 20 3HZ LYS 20 -0.931 -2.614 1.595 123 HZ2 LYS 20 1HZ LYS 20 0.266 -3.763 1.264 124 HZ3 LYS 20 2HZ LYS 20 -1.355 -4.107 0.924 125 H GLY 21 H GLY 21 -2.090 -3.713 -2.821 126 HA2 GLY 21 1HA GLY 21 -3.751 -3.740 -5.229 127 HA3 GLY 21 2HA GLY 21 -3.869 -5.126 -4.154 128 H TYR 22 H TYR 22 -5.422 -2.428 -4.967 129 HA TYR 22 HA TYR 22 -6.456 -2.009 -2.239 130 HB2 TYR 22 1HB TYR 22 -6.061 0.005 -4.454 131 HB3 TYR 22 2HB TYR 22 -7.049 0.321 -3.032 132 HD1 TYR 22 HD2 TYR 22 -3.600 -0.653 -4.044 133 HD2 TYR 22 HD1 TYR 22 -6.067 1.170 -1.096 134 HE1 TYR 22 HE2 TYR 22 -1.593 0.066 -2.817 135 HE2 TYR 22 HE1 TYR 22 -4.067 1.896 0.138 136 HH TYR 22 HH TYR 22 -1.602 1.054 0.306 137 H LYS 23 H LYS 23 -8.601 -2.201 -1.953 138 HA LYS 23 HA LYS 23 -10.211 -3.465 -3.848 139 HB2 LYS 23 1HB LYS 23 -10.635 -3.517 -1.419 140 HB3 LYS 23 2HB LYS 23 -11.086 -1.818 -1.467 141 HG2 LYS 23 1HG LYS 23 -13.089 -2.235 -2.507 142 HG3 LYS 23 2HG LYS 23 -12.526 -3.750 -3.219 143 HD2 LYS 23 1HD LYS 23 -14.033 -4.391 -1.532 144 HD3 LYS 23 2HD LYS 23 -12.432 -4.644 -0.833 145 HE2 LYS 23 1HE LYS 23 -12.658 -2.334 0.177 146 HE3 LYS 23 2HE LYS 23 -14.351 -2.386 -0.311 147 HZ1 LYS 23 3HZ LYS 23 -14.314 -3.130 1.891 148 HZ2 LYS 23 1HZ LYS 23 -12.960 -4.114 1.646 149 HZ3 LYS 23 2HZ LYS 23 -14.452 -4.546 0.977 150 H ARG 24 H ARG 24 -9.894 -0.048 -3.020 151 HA ARG 24 HA ARG 24 -11.612 0.598 -5.326 152 HB2 ARG 24 1HB ARG 24 -12.651 1.355 -3.283 153 HB3 ARG 24 2HB ARG 24 -11.164 2.138 -2.767 154 HG2 ARG 24 1HG ARG 24 -11.422 3.529 -4.929 155 HG3 ARG 24 2HG ARG 24 -13.096 2.971 -4.887 156 HD2 ARG 24 1HD ARG 24 -11.716 4.340 -2.584 157 HD3 ARG 24 2HD ARG 24 -12.695 5.183 -3.784 158 HE ARG 24 HE ARG 24 -14.085 3.007 -2.550 159 HH11 ARG 24 1HH1 ARG 24 -13.166 6.346 -2.195 160 HH12 ARG 24 2HH1 ARG 24 -14.486 6.733 -1.141 161 HH21 ARG 24 1HH2 ARG 24 -15.827 3.504 -1.163 162 HH22 ARG 24 2HH2 ARG 24 -15.998 5.115 -0.554 163 H ARG 25 H ARG 25 -10.719 1.698 -6.951 164 HA ARG 25 HA ARG 25 -8.031 2.081 -7.288 165 HB2 ARG 25 1HB ARG 25 -9.729 2.230 -9.088 166 HB3 ARG 25 2HB ARG 25 -10.207 3.809 -8.478 167 HG2 ARG 25 1HG ARG 25 -8.797 4.452 -10.138 168 HG3 ARG 25 2HG ARG 25 -7.641 4.325 -8.811 169 HD2 ARG 25 1HD ARG 25 -6.982 2.120 -9.544 170 HD3 ARG 25 2HD ARG 25 -8.221 2.133 -10.798 171 HE ARG 25 HE ARG 25 -6.484 4.339 -11.118 172 HH11 ARG 25 1HH1 ARG 25 -6.615 0.883 -11.522 173 HH12 ARG 25 2HH1 ARG 25 -5.443 0.857 -12.798 174 HH21 ARG 25 1HH2 ARG 25 -4.939 4.317 -12.796 175 HH22 ARG 25 2HH2 ARG 25 -4.490 2.811 -13.521 176 H LEU 26 H LEU 26 -10.352 4.650 -6.421 177 HA LEU 26 HA LEU 26 -8.842 6.823 -6.117 178 HB2 LEU 26 1HB LEU 26 -11.284 6.251 -5.308 179 HB3 LEU 26 2HB LEU 26 -10.490 6.114 -3.740 180 HG LEU 26 HG LEU 26 -11.578 8.335 -4.268 181 HD11 LEU 26 1HD1 LEU 26 -10.269 8.927 -2.581 182 HD12 LEU 26 2HD1 LEU 26 -9.010 9.340 -3.744 183 HD13 LEU 26 3HD1 LEU 26 -9.063 7.724 -3.040 184 HD21 LEU 26 3HD2 LEU 26 -9.151 9.032 -5.833 185 HD22 LEU 26 1HD2 LEU 26 -10.766 9.739 -5.871 186 HD23 LEU 26 2HD2 LEU 26 -10.462 8.192 -6.662 187 H ASP 27 H ASP 27 -8.969 4.224 -3.693 188 HA ASP 27 HA ASP 27 -7.193 5.316 -1.848 189 HB2 ASP 27 1HB ASP 27 -7.572 2.390 -2.520 190 HB3 ASP 27 2HB ASP 27 -6.874 3.029 -1.035 191 H LEU 28 H LEU 28 -6.492 3.003 -4.469 192 HA LEU 28 HA LEU 28 -3.719 2.922 -4.096 193 HB2 LEU 28 1HB LEU 28 -4.722 1.243 -5.419 194 HB3 LEU 28 2HB LEU 28 -5.459 2.428 -6.495 195 HG LEU 28 HG LEU 28 -2.900 2.989 -6.980 196 HD11 LEU 28 1HD1 LEU 28 -1.621 0.876 -7.082 197 HD12 LEU 28 2HD1 LEU 28 -2.902 0.088 -6.163 198 HD13 LEU 28 3HD1 LEU 28 -1.970 1.396 -5.433 199 HD21 LEU 28 3HD2 LEU 28 -4.693 0.900 -8.158 200 HD22 LEU 28 1HD2 LEU 28 -3.086 1.193 -8.823 201 HD23 LEU 28 2HD2 LEU 28 -4.275 2.495 -8.785 202 H ASP 29 H ASP 29 -5.672 4.910 -6.304 203 HA ASP 29 HA ASP 29 -3.737 6.258 -7.677 204 HB2 ASP 29 1HB ASP 29 -6.163 6.566 -8.027 205 HB3 ASP 29 2HB ASP 29 -6.252 7.487 -6.528 206 H PHE 30 H PHE 30 -4.739 6.767 -4.350 207 HA PHE 30 HA PHE 30 -3.103 9.124 -4.029 208 HB2 PHE 30 1HB PHE 30 -5.319 8.430 -2.777 209 HB3 PHE 30 2HB PHE 30 -4.199 7.595 -1.705 210 HD1 PHE 30 HD1 PHE 30 -2.359 8.942 -0.609 211 HD2 PHE 30 HD2 PHE 30 -5.680 10.727 -2.584 212 HE1 PHE 30 HE1 PHE 30 -1.937 11.047 0.592 213 HE2 PHE 30 HE2 PHE 30 -5.264 12.835 -1.386 214 HZ PHE 30 HZ PHE 30 -3.390 12.998 0.204 215 H HIS 31 H HIS 31 -2.743 5.716 -3.668 216 HA HIS 31 HA HIS 31 -0.572 5.751 -1.822 217 HB2 HIS 31 1HB HIS 31 -1.568 3.676 -1.857 218 HB3 HIS 31 2HB HIS 31 -1.839 3.715 -3.596 219 HD1 HIS 31 HD1 HIS 31 0.938 3.131 -1.096 220 HD2 HIS 31 HD2 HIS 31 0.049 2.413 -5.090 221 HE1 HIS 31 HE1 HIS 31 2.781 1.641 -1.937 222 H GLN 32 H GLN 32 -0.763 5.395 -5.356 223 HA GLN 32 HA GLN 32 1.847 5.009 -6.019 224 HB2 GLN 32 1HB GLN 32 -0.258 6.691 -7.362 225 HB3 GLN 32 2HB GLN 32 1.334 6.457 -8.073 226 HG2 GLN 32 1HG GLN 32 0.982 4.186 -8.422 227 HG3 GLN 32 2HG GLN 32 -0.348 4.119 -7.267 228 HE21 GLN 32 1HE2 GLN 32 -1.800 3.230 -8.688 229 HE22 GLN 32 2HE2 GLN 32 -2.454 4.095 -10.033 230 H ARG 33 H ARG 33 0.466 7.831 -4.599 231 HA ARG 33 HA ARG 33 2.184 9.848 -5.351 232 HB2 ARG 33 1HB ARG 33 0.881 9.304 -2.684 233 HB3 ARG 33 2HB ARG 33 1.765 10.784 -3.033 234 HG2 ARG 33 1HG ARG 33 0.163 10.983 -5.053 235 HG3 ARG 33 2HG ARG 33 -0.826 9.822 -4.164 236 HD2 ARG 33 1HD ARG 33 -1.300 11.303 -2.485 237 HD3 ARG 33 2HD ARG 33 0.202 12.200 -2.707 238 HE ARG 33 HE ARG 33 -1.517 12.504 -4.947 239 HH11 ARG 33 1HH1 ARG 33 -1.029 13.559 -1.665 240 HH12 ARG 33 2HH1 ARG 33 -1.823 15.081 -1.899 241 HH21 ARG 33 1HH2 ARG 33 -2.565 14.505 -5.266 242 HH22 ARG 33 2HH2 ARG 33 -2.697 15.617 -3.947 243 H VAL 34 H VAL 34 2.656 7.388 -2.847 244 HA VAL 34 HA VAL 34 5.064 8.348 -1.793 245 HB VAL 34 HB VAL 34 5.451 6.077 -0.968 246 HG11 VAL 34 1HG1 VAL 34 2.887 5.804 -0.134 247 HG12 VAL 34 2HG1 VAL 34 4.040 6.951 0.552 248 HG13 VAL 34 3HG1 VAL 34 2.887 7.483 -0.672 249 HG21 VAL 34 3HG2 VAL 34 3.276 4.576 -1.662 250 HG22 VAL 34 1HG2 VAL 34 3.649 5.406 -3.173 251 HG23 VAL 34 2HG2 VAL 34 4.881 4.428 -2.377 252 H HIS 35 H HIS 35 4.382 6.511 -4.683 253 HA HIS 35 HA HIS 35 7.122 5.782 -5.164 254 HB2 HIS 35 1HB HIS 35 4.616 5.626 -6.837 255 HB3 HIS 35 2HB HIS 35 6.195 5.148 -7.453 256 HD1 HIS 35 HD1 HIS 35 7.414 3.254 -5.814 257 HD2 HIS 35 HD2 HIS 35 3.274 3.580 -5.698 258 HE1 HIS 35 HE1 HIS 35 6.597 1.089 -4.830 259 H THR 36 H THR 36 4.981 8.387 -6.076 260 HA THR 36 HA THR 36 6.633 9.422 -8.164 261 HB THR 36 HB THR 36 5.186 11.351 -8.162 262 HG1 THR 36 HG1 THR 36 3.537 11.478 -6.476 263 HG21 THR 36 3HG2 THR 36 3.914 9.862 -9.285 264 HG22 THR 36 1HG2 THR 36 2.887 9.943 -7.855 265 HG23 THR 36 2HG2 THR 36 4.058 8.636 -8.026 266 H GLY 37 H GLY 37 5.994 10.481 -4.816 267 HA2 GLY 37 1HA GLY 37 8.492 11.018 -3.954 268 HA3 GLY 37 2HA GLY 37 8.136 12.425 -4.946 269 H GLU 38 H GLU 38 8.454 11.822 -1.932 270 HA GLU 38 HA GLU 38 6.376 13.670 -1.113 271 HB2 GLU 38 1HB GLU 38 6.427 10.803 -0.315 272 HB3 GLU 38 2HB GLU 38 6.016 11.983 0.921 273 HG2 GLU 38 1HG GLU 38 4.215 12.835 -0.513 274 HG3 GLU 38 2HG GLU 38 4.611 11.607 -1.714 275 H LYS 39 H LYS 39 7.188 15.085 0.287 276 HA LYS 39 HA LYS 39 9.774 14.490 1.526 277 HB2 LYS 39 1HB LYS 39 9.515 17.066 2.067 278 HB3 LYS 39 2HB LYS 39 10.052 16.514 0.486 279 HG2 LYS 39 1HG LYS 39 7.909 16.877 -0.464 280 HG3 LYS 39 2HG LYS 39 7.180 17.137 1.122 281 HD2 LYS 39 1HD LYS 39 8.945 19.072 1.271 282 HD3 LYS 39 2HD LYS 39 8.928 18.943 -0.489 283 HE2 LYS 39 1HE LYS 39 6.416 19.142 -0.357 284 HE3 LYS 39 2HE LYS 39 6.620 19.556 1.345 285 HZ1 LYS 39 3HZ LYS 39 7.584 21.063 -1.016 286 HZ2 LYS 39 1HZ LYS 39 8.134 21.377 0.553 287 HZ3 LYS 39 2HZ LYS 39 6.498 21.577 0.175 288 H LEU 40 H LEU 40 9.588 13.589 3.477 289 HA LEU 40 HA LEU 40 7.604 14.713 5.343 290 HB2 LEU 40 1HB LEU 40 6.955 12.504 5.034 291 HB3 LEU 40 2HB LEU 40 8.618 11.928 4.947 292 HG LEU 40 HG LEU 40 8.828 12.372 7.392 293 HD11 LEU 40 1HD1 LEU 40 7.242 13.397 8.564 294 HD12 LEU 40 2HD1 LEU 40 5.984 12.347 7.911 295 HD13 LEU 40 3HD1 LEU 40 6.472 13.793 7.027 296 HD21 LEU 40 3HD2 LEU 40 8.183 10.152 6.317 297 HD22 LEU 40 1HD2 LEU 40 6.537 10.512 6.836 298 HD23 LEU 40 2HD2 LEU 40 7.823 10.351 8.032 299 H SER 41 H SER 41 10.713 12.960 5.380 300 HA SER 41 HA SER 41 11.505 13.713 7.939 301 HB2 SER 41 1HB SER 41 12.556 12.019 6.238 302 HB3 SER 41 2HB SER 41 13.535 13.403 5.752 303 HG SER 41 HG SER 41 14.619 12.320 7.370 304 H GLY 42 H GLY 42 13.472 15.121 8.407 305 HA2 GLY 42 1HA GLY 42 14.045 17.345 6.738 306 HA3 GLY 42 2HA GLY 42 12.859 17.792 7.956 307 HA PRO 43 HA PRO 43 15.948 18.365 11.008 308 HB2 PRO 43 1HB PRO 43 15.016 17.057 13.197 309 HB3 PRO 43 2HB PRO 43 14.296 18.555 12.594 310 HG2 PRO 43 1HG PRO 43 13.403 15.726 12.190 311 HG3 PRO 43 2HG PRO 43 12.432 17.165 12.556 312 HD2 PRO 43 1HD PRO 43 12.638 16.144 10.056 313 HD3 PRO 43 2HD PRO 43 12.438 17.881 10.365 314 H SER 44 H SER 44 17.899 17.540 11.482 315 HA SER 44 HA SER 44 18.426 14.766 10.867 316 HB2 SER 44 1HB SER 44 20.790 15.371 11.225 317 HB3 SER 44 2HB SER 44 19.997 16.498 10.125 318 HG SER 44 HG SER 44 21.349 17.189 12.161 319 H SER 45 H SER 45 18.922 13.159 12.266 320 HA SER 45 HA SER 45 17.975 13.175 14.860 321 HB2 SER 45 1HB SER 45 18.934 11.039 15.112 322 HB3 SER 45 2HB SER 45 18.666 11.180 13.375 323 HG SER 45 HG SER 45 21.069 11.285 14.824 324 H GLY 46 H GLY 46 19.129 12.984 16.909 325 HA2 GLY 46 1HA GLY 46 21.837 13.918 17.108 326 HA3 GLY 46 2HA GLY 46 20.667 15.145 17.568 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 12.606 -9.802 -2.947 2 HA2 GLY 1 1HA GLY 1 14.148 -11.953 -1.961 3 HA3 GLY 1 2HA GLY 1 13.285 -10.776 -0.982 4 H SER 2 H SER 2 12.509 -12.203 0.531 5 HA SER 2 HA SER 2 11.209 -14.645 -0.173 6 HB2 SER 2 1HB SER 2 11.097 -13.118 2.440 7 HB3 SER 2 2HB SER 2 10.656 -14.808 2.200 8 HG SER 2 HG SER 2 13.232 -13.654 1.897 9 H SER 3 H SER 3 9.128 -15.039 -0.613 10 HA SER 3 HA SER 3 7.325 -12.783 -0.861 11 HB2 SER 3 1HB SER 3 7.451 -14.415 -2.687 12 HB3 SER 3 2HB SER 3 6.949 -15.699 -1.587 13 HG SER 3 HG SER 3 5.051 -14.159 -1.252 14 H GLY 4 H GLY 4 7.277 -15.965 0.746 15 HA2 GLY 4 1HA GLY 4 6.316 -16.591 2.748 16 HA3 GLY 4 2HA GLY 4 5.972 -14.896 3.056 17 H SER 5 H SER 5 4.180 -16.879 3.757 18 HA SER 5 HA SER 5 1.977 -16.349 1.878 19 HB2 SER 5 1HB SER 5 1.057 -18.599 2.492 20 HB3 SER 5 2HB SER 5 2.574 -18.672 1.597 21 HG SER 5 HG SER 5 2.930 -20.009 3.255 22 H SER 6 H SER 6 1.254 -14.617 3.133 23 HA SER 6 HA SER 6 -0.479 -15.335 5.290 24 HB2 SER 6 1HB SER 6 0.597 -13.762 6.948 25 HB3 SER 6 2HB SER 6 1.505 -15.240 6.635 26 HG SER 6 HG SER 6 2.792 -14.012 5.165 27 H GLY 7 H GLY 7 -2.137 -13.922 5.446 28 HA2 GLY 7 1HA GLY 7 -3.518 -12.194 4.825 29 HA3 GLY 7 2HA GLY 7 -2.105 -11.183 5.092 30 H SER 8 H SER 8 -3.853 -13.079 2.693 31 HA SER 8 HA SER 8 -2.812 -11.285 0.622 32 HB2 SER 8 1HB SER 8 -2.599 -14.272 0.678 33 HB3 SER 8 2HB SER 8 -2.809 -13.454 -0.869 34 HG SER 8 HG SER 8 -0.870 -12.560 -0.684 35 H GLY 9 H GLY 9 -4.610 -10.259 0.005 36 HA2 GLY 9 1HA GLY 9 -6.978 -11.915 -0.617 37 HA3 GLY 9 2HA GLY 9 -7.104 -10.312 0.091 38 H GLU 10 H GLU 10 -7.311 -12.015 -2.731 39 HA GLU 10 HA GLU 10 -6.105 -10.487 -4.684 40 HB2 GLU 10 1HB GLU 10 -7.398 -12.642 -4.983 41 HB3 GLU 10 2HB GLU 10 -8.866 -11.675 -4.950 42 HG2 GLU 10 1HG GLU 10 -8.081 -12.243 -7.227 43 HG3 GLU 10 2HG GLU 10 -8.230 -10.512 -6.933 44 H LYS 11 H LYS 11 -6.570 -8.627 -5.771 45 HA LYS 11 HA LYS 11 -8.978 -7.137 -4.998 46 HB2 LYS 11 1HB LYS 11 -6.167 -6.024 -5.033 47 HB3 LYS 11 2HB LYS 11 -7.625 -5.060 -4.840 48 HG2 LYS 11 1HG LYS 11 -7.133 -7.315 -2.960 49 HG3 LYS 11 2HG LYS 11 -6.222 -5.816 -2.765 50 HD2 LYS 11 1HD LYS 11 -8.602 -4.722 -2.985 51 HD3 LYS 11 2HD LYS 11 -9.147 -6.319 -2.469 52 HE2 LYS 11 1HE LYS 11 -7.530 -6.113 -0.543 53 HE3 LYS 11 2HE LYS 11 -7.312 -4.427 -1.011 54 HZ1 LYS 11 3HZ LYS 11 -10.057 -5.335 -0.673 55 HZ2 LYS 11 1HZ LYS 11 -9.344 -3.859 -0.254 56 HZ3 LYS 11 2HZ LYS 11 -9.132 -5.213 0.738 57 HA PRO 12 HA PRO 12 -9.373 -6.246 -9.279 58 HB2 PRO 12 1HB PRO 12 -10.592 -3.822 -9.196 59 HB3 PRO 12 2HB PRO 12 -11.417 -5.327 -8.775 60 HG2 PRO 12 1HG PRO 12 -10.195 -3.269 -6.976 61 HG3 PRO 12 2HG PRO 12 -11.740 -4.124 -6.811 62 HD2 PRO 12 1HD PRO 12 -9.523 -4.842 -5.432 63 HD3 PRO 12 2HD PRO 12 -10.744 -6.019 -5.957 64 H TYR 13 H TYR 13 -8.276 -3.420 -7.398 65 HA TYR 13 HA TYR 13 -6.623 -2.599 -9.678 66 HB2 TYR 13 1HB TYR 13 -7.194 -1.024 -7.165 67 HB3 TYR 13 2HB TYR 13 -6.521 -0.423 -8.676 68 HD1 TYR 13 HD1 TYR 13 -7.992 -0.328 -10.712 69 HD2 TYR 13 HD2 TYR 13 -9.532 -1.144 -6.831 70 HE1 TYR 13 HE1 TYR 13 -10.252 0.245 -11.495 71 HE2 TYR 13 HE2 TYR 13 -11.796 -0.574 -7.603 72 HH TYR 13 HH TYR 13 -13.073 -0.314 -9.531 73 H LYS 14 H LYS 14 -4.423 -2.289 -9.502 74 HA LYS 14 HA LYS 14 -3.099 -2.836 -6.969 75 HB2 LYS 14 1HB LYS 14 -2.483 -4.453 -9.449 76 HB3 LYS 14 2HB LYS 14 -1.669 -4.578 -7.895 77 HG2 LYS 14 1HG LYS 14 -3.097 -6.357 -7.778 78 HG3 LYS 14 2HG LYS 14 -4.077 -5.102 -7.016 79 HD2 LYS 14 1HD LYS 14 -5.563 -6.074 -8.511 80 HD3 LYS 14 2HD LYS 14 -4.965 -4.679 -9.412 81 HE2 LYS 14 1HE LYS 14 -4.961 -6.559 -10.884 82 HE3 LYS 14 2HE LYS 14 -3.286 -6.187 -10.480 83 HZ1 LYS 14 3HZ LYS 14 -3.046 -8.096 -9.313 84 HZ2 LYS 14 1HZ LYS 14 -4.252 -8.629 -10.374 85 HZ3 LYS 14 2HZ LYS 14 -4.660 -8.143 -8.806 86 H CYS 15 H CYS 15 -1.028 -1.990 -6.824 87 HA CYS 15 HA CYS 15 -0.452 0.197 -8.542 88 HB2 CYS 15 1HB CYS 15 0.138 0.041 -6.095 89 HB3 CYS 15 2HB CYS 15 1.420 -1.079 -6.543 90 H VAL 16 H VAL 16 1.582 0.515 -9.709 91 HA VAL 16 HA VAL 16 2.378 -1.951 -11.098 92 HB VAL 16 HB VAL 16 1.408 -0.178 -12.512 93 HG11 VAL 16 1HG1 VAL 16 3.727 1.574 -12.453 94 HG12 VAL 16 2HG1 VAL 16 2.008 1.969 -12.404 95 HG13 VAL 16 3HG1 VAL 16 2.860 1.544 -10.919 96 HG21 VAL 16 3HG2 VAL 16 4.330 -0.774 -12.958 97 HG22 VAL 16 1HG2 VAL 16 2.949 -1.704 -13.540 98 HG23 VAL 16 2HG2 VAL 16 3.257 -0.089 -14.178 99 H GLU 17 H GLU 17 3.513 0.518 -9.013 100 HA GLU 17 HA GLU 17 6.300 0.241 -9.677 101 HB2 GLU 17 1HB GLU 17 4.922 1.567 -7.336 102 HB3 GLU 17 2HB GLU 17 6.653 1.635 -7.640 103 HG2 GLU 17 1HG GLU 17 4.523 2.676 -9.495 104 HG3 GLU 17 2HG GLU 17 5.479 3.655 -8.384 105 H CYS 18 H CYS 18 4.223 -0.765 -6.972 106 HA CYS 18 HA CYS 18 6.337 -2.641 -6.144 107 HB2 CYS 18 1HB CYS 18 5.191 -2.659 -3.935 108 HB3 CYS 18 2HB CYS 18 5.794 -1.068 -4.388 109 H GLY 19 H GLY 19 2.860 -2.308 -6.714 110 HA2 GLY 19 1HA GLY 19 1.694 -4.069 -7.892 111 HA3 GLY 19 2HA GLY 19 2.748 -5.229 -7.097 112 H LYS 20 H LYS 20 1.402 -2.590 -5.291 113 HA LYS 20 HA LYS 20 0.250 -4.267 -3.353 114 HB2 LYS 20 1HB LYS 20 0.189 -1.353 -3.950 115 HB3 LYS 20 2HB LYS 20 -1.046 -1.983 -2.867 116 HG2 LYS 20 1HG LYS 20 1.888 -2.477 -2.451 117 HG3 LYS 20 2HG LYS 20 1.040 -1.082 -1.779 118 HD2 LYS 20 1HD LYS 20 -0.244 -2.388 -0.356 119 HD3 LYS 20 2HD LYS 20 -0.014 -3.846 -1.324 120 HE2 LYS 20 1HE LYS 20 2.094 -4.241 -0.465 121 HE3 LYS 20 2HE LYS 20 2.340 -2.554 -0.017 122 HZ1 LYS 20 3HZ LYS 20 0.183 -3.389 1.464 123 HZ2 LYS 20 1HZ LYS 20 1.760 -3.144 2.026 124 HZ3 LYS 20 2HZ LYS 20 1.268 -4.685 1.530 125 H GLY 21 H GLY 21 -2.209 -3.641 -2.711 126 HA2 GLY 21 1HA GLY 21 -3.902 -3.854 -5.098 127 HA3 GLY 21 2HA GLY 21 -3.987 -5.138 -3.902 128 H TYR 22 H TYR 22 -5.536 -2.484 -4.932 129 HA TYR 22 HA TYR 22 -6.697 -1.990 -2.275 130 HB2 TYR 22 1HB TYR 22 -5.995 0.069 -4.372 131 HB3 TYR 22 2HB TYR 22 -7.035 0.401 -2.992 132 HD1 TYR 22 HD2 TYR 22 -3.600 -0.589 -3.963 133 HD2 TYR 22 HD1 TYR 22 -6.120 0.887 -0.869 134 HE1 TYR 22 HE2 TYR 22 -1.617 -0.076 -2.601 135 HE2 TYR 22 HE1 TYR 22 -4.144 1.404 0.502 136 HH TYR 22 HH TYR 22 -1.112 1.633 -0.658 137 H LYS 23 H LYS 23 -8.787 -2.443 -2.235 138 HA LYS 23 HA LYS 23 -10.271 -3.240 -4.464 139 HB2 LYS 23 1HB LYS 23 -10.652 -3.556 -1.869 140 HB3 LYS 23 2HB LYS 23 -11.662 -2.130 -2.063 141 HG2 LYS 23 1HG LYS 23 -12.037 -4.445 -3.902 142 HG3 LYS 23 2HG LYS 23 -12.687 -4.518 -2.263 143 HD2 LYS 23 1HD LYS 23 -13.217 -2.102 -3.933 144 HD3 LYS 23 2HD LYS 23 -14.136 -3.578 -4.239 145 HE2 LYS 23 1HE LYS 23 -14.949 -3.610 -1.984 146 HE3 LYS 23 2HE LYS 23 -13.888 -2.277 -1.531 147 HZ1 LYS 23 3HZ LYS 23 -16.229 -1.621 -1.927 148 HZ2 LYS 23 1HZ LYS 23 -16.049 -2.055 -3.552 149 HZ3 LYS 23 2HZ LYS 23 -15.124 -0.796 -2.906 150 H ARG 24 H ARG 24 -9.859 -0.101 -2.977 151 HA ARG 24 HA ARG 24 -11.793 1.057 -4.862 152 HB2 ARG 24 1HB ARG 24 -12.319 1.716 -2.647 153 HB3 ARG 24 2HB ARG 24 -10.636 2.057 -2.268 154 HG2 ARG 24 1HG ARG 24 -11.467 4.172 -2.532 155 HG3 ARG 24 2HG ARG 24 -10.877 3.840 -4.162 156 HD2 ARG 24 1HD ARG 24 -13.062 3.359 -4.948 157 HD3 ARG 24 2HD ARG 24 -13.715 3.319 -3.311 158 HE ARG 24 HE ARG 24 -12.668 5.855 -3.691 159 HH11 ARG 24 1HH1 ARG 24 -15.170 3.866 -5.072 160 HH12 ARG 24 2HH1 ARG 24 -16.171 5.208 -5.518 161 HH21 ARG 24 1HH2 ARG 24 -13.977 7.630 -4.274 162 HH22 ARG 24 2HH2 ARG 24 -15.491 7.348 -5.065 163 H ARG 25 H ARG 25 -10.748 1.454 -6.729 164 HA ARG 25 HA ARG 25 -8.154 1.890 -7.292 165 HB2 ARG 25 1HB ARG 25 -9.933 1.842 -8.990 166 HB3 ARG 25 2HB ARG 25 -10.449 3.448 -8.494 167 HG2 ARG 25 1HG ARG 25 -8.367 4.400 -9.240 168 HG3 ARG 25 2HG ARG 25 -7.735 2.796 -9.620 169 HD2 ARG 25 1HD ARG 25 -8.428 3.620 -11.686 170 HD3 ARG 25 2HD ARG 25 -9.764 2.589 -11.178 171 HE ARG 25 HE ARG 25 -10.057 5.361 -10.445 172 HH11 ARG 25 1HH1 ARG 25 -10.626 2.946 -12.888 173 HH12 ARG 25 2HH1 ARG 25 -11.932 3.813 -13.626 174 HH21 ARG 25 1HH2 ARG 25 -11.774 6.512 -11.408 175 HH22 ARG 25 2HH2 ARG 25 -12.584 5.842 -12.784 176 H LEU 26 H LEU 26 -10.386 4.308 -6.010 177 HA LEU 26 HA LEU 26 -8.773 6.565 -6.208 178 HB2 LEU 26 1HB LEU 26 -11.199 6.426 -5.513 179 HB3 LEU 26 2HB LEU 26 -10.623 5.983 -3.908 180 HG LEU 26 HG LEU 26 -11.268 8.370 -4.128 181 HD11 LEU 26 1HD1 LEU 26 -8.343 8.402 -3.649 182 HD12 LEU 26 2HD1 LEU 26 -9.324 7.321 -2.660 183 HD13 LEU 26 3HD1 LEU 26 -9.661 9.052 -2.674 184 HD21 LEU 26 3HD2 LEU 26 -9.962 8.253 -6.536 185 HD22 LEU 26 1HD2 LEU 26 -8.815 9.122 -5.516 186 HD23 LEU 26 2HD2 LEU 26 -10.460 9.729 -5.708 187 H ASP 27 H ASP 27 -8.945 4.126 -3.646 188 HA ASP 27 HA ASP 27 -7.207 5.321 -1.820 189 HB2 ASP 27 1HB ASP 27 -8.046 2.502 -2.367 190 HB3 ASP 27 2HB ASP 27 -6.721 2.794 -1.244 191 H LEU 28 H LEU 28 -6.508 3.053 -4.463 192 HA LEU 28 HA LEU 28 -3.731 2.895 -4.007 193 HB2 LEU 28 1HB LEU 28 -4.660 1.206 -5.329 194 HB3 LEU 28 2HB LEU 28 -5.479 2.359 -6.381 195 HG LEU 28 HG LEU 28 -2.956 3.015 -6.948 196 HD11 LEU 28 1HD1 LEU 28 -2.847 0.296 -5.759 197 HD12 LEU 28 2HD1 LEU 28 -1.649 1.589 -5.745 198 HD13 LEU 28 3HD1 LEU 28 -1.878 0.616 -7.198 199 HD21 LEU 28 3HD2 LEU 28 -4.857 1.044 -8.076 200 HD22 LEU 28 1HD2 LEU 28 -3.211 1.032 -8.711 201 HD23 LEU 28 2HD2 LEU 28 -4.176 2.506 -8.792 202 H ASP 29 H ASP 29 -5.633 4.894 -6.247 203 HA ASP 29 HA ASP 29 -3.680 6.204 -7.622 204 HB2 ASP 29 1HB ASP 29 -6.310 6.498 -7.553 205 HB3 ASP 29 2HB ASP 29 -5.903 7.868 -6.523 206 H PHE 30 H PHE 30 -4.640 6.726 -4.288 207 HA PHE 30 HA PHE 30 -2.995 9.069 -3.967 208 HB2 PHE 30 1HB PHE 30 -5.162 8.382 -2.667 209 HB3 PHE 30 2HB PHE 30 -4.044 7.462 -1.664 210 HD1 PHE 30 HD1 PHE 30 -2.001 8.785 -0.742 211 HD2 PHE 30 HD2 PHE 30 -5.586 10.588 -2.160 212 HE1 PHE 30 HE1 PHE 30 -1.487 10.815 0.551 213 HE2 PHE 30 HE2 PHE 30 -5.078 12.621 -0.871 214 HZ PHE 30 HZ PHE 30 -3.026 12.737 0.486 215 H HIS 31 H HIS 31 -2.637 5.644 -3.583 216 HA HIS 31 HA HIS 31 -0.381 5.694 -1.849 217 HB2 HIS 31 1HB HIS 31 -1.369 3.619 -1.816 218 HB3 HIS 31 2HB HIS 31 -1.737 3.646 -3.538 219 HD1 HIS 31 HD1 HIS 31 1.031 2.857 -1.129 220 HD2 HIS 31 HD2 HIS 31 0.206 2.545 -5.189 221 HE1 HIS 31 HE1 HIS 31 2.857 1.411 -2.077 222 H GLN 32 H GLN 32 -0.745 5.386 -5.368 223 HA GLN 32 HA GLN 32 1.851 4.969 -6.132 224 HB2 GLN 32 1HB GLN 32 -0.322 6.611 -7.417 225 HB3 GLN 32 2HB GLN 32 1.240 6.368 -8.189 226 HG2 GLN 32 1HG GLN 32 0.885 4.090 -8.478 227 HG3 GLN 32 2HG GLN 32 -0.394 4.040 -7.266 228 HE21 GLN 32 1HE2 GLN 32 -1.858 3.079 -8.651 229 HE22 GLN 32 2HE2 GLN 32 -2.591 3.928 -9.965 230 H ARG 33 H ARG 33 0.524 7.772 -4.654 231 HA ARG 33 HA ARG 33 2.256 9.769 -5.539 232 HB2 ARG 33 1HB ARG 33 0.943 9.407 -2.841 233 HB3 ARG 33 2HB ARG 33 1.757 10.879 -3.354 234 HG2 ARG 33 1HG ARG 33 0.126 10.836 -5.342 235 HG3 ARG 33 2HG ARG 33 -0.794 9.689 -4.366 236 HD2 ARG 33 1HD ARG 33 -0.766 11.379 -2.518 237 HD3 ARG 33 2HD ARG 33 -0.052 12.521 -3.655 238 HE ARG 33 HE ARG 33 -2.442 11.408 -4.700 239 HH11 ARG 33 1HH1 ARG 33 -1.254 13.728 -2.393 240 HH12 ARG 33 2HH1 ARG 33 -2.671 14.722 -2.467 241 HH21 ARG 33 1HH2 ARG 33 -4.313 12.708 -4.806 242 HH22 ARG 33 2HH2 ARG 33 -4.411 14.141 -3.839 243 H VAL 34 H VAL 34 2.656 7.351 -3.003 244 HA VAL 34 HA VAL 34 5.026 8.352 -1.873 245 HB VAL 34 HB VAL 34 5.394 6.053 -1.036 246 HG11 VAL 34 1HG1 VAL 34 2.954 7.624 -0.671 247 HG12 VAL 34 2HG1 VAL 34 2.809 5.939 -0.164 248 HG13 VAL 34 3HG1 VAL 34 4.069 6.964 0.525 249 HG21 VAL 34 3HG2 VAL 34 2.904 4.907 -1.893 250 HG22 VAL 34 1HG2 VAL 34 3.891 5.335 -3.291 251 HG23 VAL 34 2HG2 VAL 34 4.540 4.266 -2.047 252 H HIS 35 H HIS 35 4.435 6.831 -4.877 253 HA HIS 35 HA HIS 35 7.207 5.991 -5.216 254 HB2 HIS 35 1HB HIS 35 4.757 5.705 -6.958 255 HB3 HIS 35 2HB HIS 35 6.367 5.208 -7.472 256 HD1 HIS 35 HD1 HIS 35 7.515 3.369 -5.776 257 HD2 HIS 35 HD2 HIS 35 3.380 3.763 -5.669 258 HE1 HIS 35 HE1 HIS 35 6.667 1.267 -4.687 259 H THR 36 H THR 36 4.924 8.375 -6.446 260 HA THR 36 HA THR 36 6.694 9.435 -8.422 261 HB THR 36 HB THR 36 5.082 11.298 -8.586 262 HG1 THR 36 HG1 THR 36 4.123 10.109 -6.221 263 HG21 THR 36 3HG2 THR 36 4.570 8.537 -9.063 264 HG22 THR 36 1HG2 THR 36 3.963 9.937 -9.947 265 HG23 THR 36 2HG2 THR 36 3.061 9.304 -8.570 266 H GLY 37 H GLY 37 6.107 10.049 -5.040 267 HA2 GLY 37 1HA GLY 37 7.098 12.613 -4.725 268 HA3 GLY 37 2HA GLY 37 7.251 11.340 -3.523 269 H GLU 38 H GLU 38 8.912 9.580 -4.956 270 HA GLU 38 HA GLU 38 11.437 10.966 -4.632 271 HB2 GLU 38 1HB GLU 38 10.867 8.596 -3.787 272 HB3 GLU 38 2HB GLU 38 11.115 8.090 -5.452 273 HG2 GLU 38 1HG GLU 38 13.391 8.826 -5.405 274 HG3 GLU 38 2HG GLU 38 13.170 9.553 -3.815 275 H LYS 39 H LYS 39 12.587 11.801 -6.237 276 HA LYS 39 HA LYS 39 11.709 11.551 -8.957 277 HB2 LYS 39 1HB LYS 39 12.706 13.630 -7.868 278 HB3 LYS 39 2HB LYS 39 14.268 12.836 -8.011 279 HG2 LYS 39 1HG LYS 39 13.558 12.586 -10.524 280 HG3 LYS 39 2HG LYS 39 12.501 13.944 -10.131 281 HD2 LYS 39 1HD LYS 39 14.488 14.917 -10.934 282 HD3 LYS 39 2HD LYS 39 14.573 15.076 -9.178 283 HE2 LYS 39 1HE LYS 39 16.709 14.345 -9.867 284 HE3 LYS 39 2HE LYS 39 15.912 12.929 -9.182 285 HZ1 LYS 39 3HZ LYS 39 15.299 12.310 -11.500 286 HZ2 LYS 39 1HZ LYS 39 16.962 12.273 -11.189 287 HZ3 LYS 39 2HZ LYS 39 16.292 13.562 -12.055 288 H LEU 40 H LEU 40 12.180 9.849 -10.173 289 HA LEU 40 HA LEU 40 14.377 8.102 -9.571 290 HB2 LEU 40 1HB LEU 40 12.447 8.157 -11.885 291 HB3 LEU 40 2HB LEU 40 13.629 6.882 -11.595 292 HG LEU 40 HG LEU 40 12.359 6.755 -9.266 293 HD11 LEU 40 1HD1 LEU 40 10.325 7.892 -11.174 294 HD12 LEU 40 2HD1 LEU 40 10.833 8.559 -9.623 295 HD13 LEU 40 3HD1 LEU 40 9.921 7.051 -9.676 296 HD21 LEU 40 3HD2 LEU 40 12.501 5.222 -11.530 297 HD22 LEU 40 1HD2 LEU 40 10.763 5.459 -11.340 298 HD23 LEU 40 2HD2 LEU 40 11.705 4.755 -10.026 299 H SER 41 H SER 41 16.211 7.708 -10.812 300 HA SER 41 HA SER 41 17.421 9.952 -12.003 301 HB2 SER 41 1HB SER 41 18.813 8.267 -11.007 302 HB3 SER 41 2HB SER 41 18.156 7.019 -12.066 303 HG SER 41 HG SER 41 20.212 8.692 -12.499 304 H GLY 42 H GLY 42 16.065 10.710 -13.651 305 HA2 GLY 42 1HA GLY 42 16.469 10.567 -16.172 306 HA3 GLY 42 2HA GLY 42 15.800 8.950 -16.001 307 HA PRO 43 HA PRO 43 12.503 12.469 -16.314 308 HB2 PRO 43 1HB PRO 43 12.329 12.853 -18.996 309 HB3 PRO 43 2HB PRO 43 13.380 13.819 -17.953 310 HG2 PRO 43 1HG PRO 43 14.068 11.483 -19.693 311 HG3 PRO 43 2HG PRO 43 14.947 13.006 -19.466 312 HD2 PRO 43 1HD PRO 43 15.671 10.709 -18.229 313 HD3 PRO 43 2HD PRO 43 15.904 12.306 -17.490 314 H SER 44 H SER 44 13.216 9.432 -17.649 315 HA SER 44 HA SER 44 10.675 8.937 -18.887 316 HB2 SER 44 1HB SER 44 11.463 6.645 -19.137 317 HB3 SER 44 2HB SER 44 12.749 7.765 -19.586 318 HG SER 44 HG SER 44 12.642 6.913 -16.933 319 H SER 45 H SER 45 9.268 9.559 -17.147 320 HA SER 45 HA SER 45 8.307 7.379 -15.648 321 HB2 SER 45 1HB SER 45 10.218 7.721 -14.205 322 HB3 SER 45 2HB SER 45 9.872 9.446 -14.087 323 HG SER 45 HG SER 45 8.944 7.477 -12.568 324 H GLY 46 H GLY 46 6.326 7.824 -14.633 325 HA2 GLY 46 1HA GLY 46 4.848 9.956 -15.757 326 HA3 GLY 46 2HA GLY 46 4.297 8.888 -14.475 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 8.687 -17.933 11.891 2 HA2 GLY 1 1HA GLY 1 9.793 -16.271 9.711 3 HA3 GLY 1 2HA GLY 1 8.938 -17.776 9.409 4 H SER 2 H SER 2 7.829 -16.001 8.014 5 HA SER 2 HA SER 2 5.304 -15.448 9.288 6 HB2 SER 2 1HB SER 2 7.156 -13.219 8.456 7 HB3 SER 2 2HB SER 2 5.410 -12.992 8.546 8 HG SER 2 HG SER 2 5.784 -12.613 10.576 9 H SER 3 H SER 3 3.776 -14.370 7.688 10 HA SER 3 HA SER 3 4.341 -15.425 4.997 11 HB2 SER 3 1HB SER 3 2.394 -16.359 6.470 12 HB3 SER 3 2HB SER 3 1.562 -14.879 5.991 13 HG SER 3 HG SER 3 1.865 -15.494 3.819 14 H GLY 4 H GLY 4 2.674 -12.804 6.730 15 HA2 GLY 4 1HA GLY 4 2.631 -10.544 6.187 16 HA3 GLY 4 2HA GLY 4 3.522 -10.909 4.717 17 H SER 5 H SER 5 0.455 -12.297 5.808 18 HA SER 5 HA SER 5 -0.920 -10.897 3.626 19 HB2 SER 5 1HB SER 5 -0.426 -13.033 2.663 20 HB3 SER 5 2HB SER 5 -0.932 -13.878 4.126 21 HG SER 5 HG SER 5 -2.561 -13.961 2.555 22 H SER 6 H SER 6 -2.700 -9.938 4.332 23 HA SER 6 HA SER 6 -3.886 -10.863 6.858 24 HB2 SER 6 1HB SER 6 -4.850 -8.600 7.033 25 HB3 SER 6 2HB SER 6 -3.094 -8.540 6.874 26 HG SER 6 HG SER 6 -4.491 -8.462 4.495 27 H GLY 7 H GLY 7 -4.508 -12.305 4.558 28 HA2 GLY 7 1HA GLY 7 -6.282 -13.073 3.315 29 HA3 GLY 7 2HA GLY 7 -7.260 -12.500 4.658 30 H SER 8 H SER 8 -5.305 -10.646 2.352 31 HA SER 8 HA SER 8 -7.359 -8.725 1.964 32 HB2 SER 8 1HB SER 8 -4.698 -9.245 0.671 33 HB3 SER 8 2HB SER 8 -5.795 -8.040 -0.004 34 HG SER 8 HG SER 8 -5.842 -7.196 2.247 35 H GLY 9 H GLY 9 -6.040 -11.286 -0.129 36 HA2 GLY 9 1HA GLY 9 -7.288 -12.621 -1.603 37 HA3 GLY 9 2HA GLY 9 -8.639 -11.511 -1.431 38 H GLU 10 H GLU 10 -8.593 -11.974 -3.845 39 HA GLU 10 HA GLU 10 -6.555 -10.599 -5.357 40 HB2 GLU 10 1HB GLU 10 -7.959 -12.721 -6.004 41 HB3 GLU 10 2HB GLU 10 -9.136 -11.535 -6.551 42 HG2 GLU 10 1HG GLU 10 -7.328 -10.518 -7.950 43 HG3 GLU 10 2HG GLU 10 -6.314 -11.894 -7.520 44 H LYS 11 H LYS 11 -6.595 -8.435 -5.087 45 HA LYS 11 HA LYS 11 -9.058 -6.951 -4.960 46 HB2 LYS 11 1HB LYS 11 -6.168 -6.081 -5.100 47 HB3 LYS 11 2HB LYS 11 -7.518 -4.963 -4.955 48 HG2 LYS 11 1HG LYS 11 -7.176 -7.171 -2.971 49 HG3 LYS 11 2HG LYS 11 -6.227 -5.689 -2.836 50 HD2 LYS 11 1HD LYS 11 -8.610 -4.574 -3.157 51 HD3 LYS 11 2HD LYS 11 -9.150 -6.119 -2.495 52 HE2 LYS 11 1HE LYS 11 -6.981 -4.528 -1.169 53 HE3 LYS 11 2HE LYS 11 -8.682 -4.177 -0.869 54 HZ1 LYS 11 3HZ LYS 11 -7.736 -6.943 -0.604 55 HZ2 LYS 11 1HZ LYS 11 -8.997 -6.156 0.204 56 HZ3 LYS 11 2HZ LYS 11 -7.392 -5.843 0.635 57 HA PRO 12 HA PRO 12 -9.635 -6.049 -9.218 58 HB2 PRO 12 1HB PRO 12 -10.715 -3.562 -9.076 59 HB3 PRO 12 2HB PRO 12 -11.597 -5.021 -8.607 60 HG2 PRO 12 1HG PRO 12 -10.170 -3.033 -6.882 61 HG3 PRO 12 2HG PRO 12 -11.748 -3.803 -6.632 62 HD2 PRO 12 1HD PRO 12 -9.502 -4.641 -5.372 63 HD3 PRO 12 2HD PRO 12 -10.812 -5.750 -5.828 64 H TYR 13 H TYR 13 -8.304 -3.272 -7.415 65 HA TYR 13 HA TYR 13 -6.703 -2.576 -9.775 66 HB2 TYR 13 1HB TYR 13 -7.077 -0.891 -7.301 67 HB3 TYR 13 2HB TYR 13 -6.510 -0.376 -8.885 68 HD1 TYR 13 HD1 TYR 13 -8.087 -0.068 -10.732 69 HD2 TYR 13 HD2 TYR 13 -9.432 -1.173 -6.849 70 HE1 TYR 13 HE1 TYR 13 -10.385 0.546 -11.359 71 HE2 TYR 13 HE2 TYR 13 -11.733 -0.563 -7.466 72 HH TYR 13 HH TYR 13 -12.972 0.622 -9.010 73 H LYS 14 H LYS 14 -4.494 -2.425 -9.697 74 HA LYS 14 HA LYS 14 -3.144 -3.043 -7.172 75 HB2 LYS 14 1HB LYS 14 -2.590 -4.494 -9.767 76 HB3 LYS 14 2HB LYS 14 -1.717 -4.711 -8.256 77 HG2 LYS 14 1HG LYS 14 -3.127 -6.482 -8.122 78 HG3 LYS 14 2HG LYS 14 -4.144 -5.260 -7.356 79 HD2 LYS 14 1HD LYS 14 -5.557 -5.115 -9.150 80 HD3 LYS 14 2HD LYS 14 -4.304 -5.564 -10.310 81 HE2 LYS 14 1HE LYS 14 -4.471 -7.855 -9.744 82 HE3 LYS 14 2HE LYS 14 -5.432 -7.504 -8.308 83 HZ1 LYS 14 3HZ LYS 14 -7.289 -7.548 -9.498 84 HZ2 LYS 14 1HZ LYS 14 -6.386 -8.162 -10.791 85 HZ3 LYS 14 2HZ LYS 14 -6.667 -6.498 -10.670 86 H CYS 15 H CYS 15 -1.109 -2.164 -6.958 87 HA CYS 15 HA CYS 15 -0.515 0.081 -8.612 88 HB2 CYS 15 1HB CYS 15 -0.036 -0.130 -6.129 89 HB3 CYS 15 2HB CYS 15 1.314 -1.174 -6.564 90 H VAL 16 H VAL 16 1.414 0.445 -9.828 91 HA VAL 16 HA VAL 16 2.415 -2.010 -11.094 92 HB VAL 16 HB VAL 16 1.325 -0.323 -12.561 93 HG11 VAL 16 1HG1 VAL 16 3.701 1.442 -12.387 94 HG12 VAL 16 2HG1 VAL 16 2.023 1.831 -12.774 95 HG13 VAL 16 3HG1 VAL 16 2.503 1.562 -11.098 96 HG21 VAL 16 3HG2 VAL 16 3.012 -0.379 -14.302 97 HG22 VAL 16 1HG2 VAL 16 4.267 -0.708 -13.107 98 HG23 VAL 16 2HG2 VAL 16 3.010 -1.906 -13.418 99 H GLU 17 H GLU 17 3.320 0.394 -8.922 100 HA GLU 17 HA GLU 17 6.135 0.405 -9.605 101 HB2 GLU 17 1HB GLU 17 4.508 1.695 -7.427 102 HB3 GLU 17 2HB GLU 17 6.266 1.726 -7.401 103 HG2 GLU 17 1HG GLU 17 4.888 2.615 -9.875 104 HG3 GLU 17 2HG GLU 17 4.852 3.676 -8.468 105 H CYS 18 H CYS 18 4.046 -0.915 -7.075 106 HA CYS 18 HA CYS 18 6.287 -2.636 -6.235 107 HB2 CYS 18 1HB CYS 18 5.171 -2.678 -3.975 108 HB3 CYS 18 2HB CYS 18 5.860 -1.124 -4.433 109 H GLY 19 H GLY 19 2.797 -2.363 -6.702 110 HA2 GLY 19 1HA GLY 19 1.666 -4.197 -7.835 111 HA3 GLY 19 2HA GLY 19 2.704 -5.303 -6.947 112 H LYS 20 H LYS 20 1.588 -2.683 -5.096 113 HA LYS 20 HA LYS 20 0.226 -4.299 -3.255 114 HB2 LYS 20 1HB LYS 20 1.215 -1.893 -3.022 115 HB3 LYS 20 2HB LYS 20 -0.384 -1.377 -3.542 116 HG2 LYS 20 1HG LYS 20 -0.410 -1.324 -1.191 117 HG3 LYS 20 2HG LYS 20 -1.315 -2.767 -1.653 118 HD2 LYS 20 1HD LYS 20 0.082 -3.449 0.115 119 HD3 LYS 20 2HD LYS 20 0.867 -4.042 -1.350 120 HE2 LYS 20 1HE LYS 20 2.670 -3.105 -0.318 121 HE3 LYS 20 2HE LYS 20 2.086 -1.696 -1.203 122 HZ1 LYS 20 3HZ LYS 20 0.696 -1.480 1.056 123 HZ2 LYS 20 1HZ LYS 20 2.202 -0.749 0.817 124 HZ3 LYS 20 2HZ LYS 20 2.098 -2.216 1.651 125 H GLY 21 H GLY 21 -1.970 -4.576 -2.803 126 HA2 GLY 21 1HA GLY 21 -3.735 -4.066 -5.113 127 HA3 GLY 21 2HA GLY 21 -3.917 -5.409 -3.995 128 H TYR 22 H TYR 22 -5.425 -2.760 -4.891 129 HA TYR 22 HA TYR 22 -6.324 -2.104 -2.162 130 HB2 TYR 22 1HB TYR 22 -5.922 -0.325 -4.555 131 HB3 TYR 22 2HB TYR 22 -7.012 0.134 -3.252 132 HD1 TYR 22 HD2 TYR 22 -3.493 -0.605 -4.092 133 HD2 TYR 22 HD1 TYR 22 -6.175 0.939 -1.172 134 HE1 TYR 22 HE2 TYR 22 -1.586 0.290 -2.822 135 HE2 TYR 22 HE1 TYR 22 -4.276 1.839 0.105 136 HH TYR 22 HH TYR 22 -0.940 1.474 -1.061 137 H LYS 23 H LYS 23 -8.527 -1.849 -1.818 138 HA LYS 23 HA LYS 23 -10.235 -3.434 -3.421 139 HB2 LYS 23 1HB LYS 23 -10.701 -3.257 -1.083 140 HB3 LYS 23 2HB LYS 23 -10.782 -1.502 -1.169 141 HG2 LYS 23 1HG LYS 23 -13.000 -1.984 -1.115 142 HG3 LYS 23 2HG LYS 23 -12.739 -2.024 -2.860 143 HD2 LYS 23 1HD LYS 23 -12.336 -4.543 -1.334 144 HD3 LYS 23 2HD LYS 23 -13.992 -3.982 -1.578 145 HE2 LYS 23 1HE LYS 23 -12.007 -4.264 -3.823 146 HE3 LYS 23 2HE LYS 23 -13.080 -5.571 -3.323 147 HZ1 LYS 23 3HZ LYS 23 -14.839 -3.620 -3.610 148 HZ2 LYS 23 1HZ LYS 23 -14.392 -4.639 -4.884 149 HZ3 LYS 23 2HZ LYS 23 -13.693 -3.106 -4.744 150 H ARG 24 H ARG 24 -9.693 0.034 -3.180 151 HA ARG 24 HA ARG 24 -11.468 0.400 -5.504 152 HB2 ARG 24 1HB ARG 24 -11.739 2.780 -4.600 153 HB3 ARG 24 2HB ARG 24 -12.589 1.494 -3.755 154 HG2 ARG 24 1HG ARG 24 -10.869 1.455 -2.040 155 HG3 ARG 24 2HG ARG 24 -9.969 2.706 -2.900 156 HD2 ARG 24 1HD ARG 24 -11.161 3.798 -1.166 157 HD3 ARG 24 2HD ARG 24 -12.001 4.171 -2.670 158 HE ARG 24 HE ARG 24 -12.988 2.574 -0.468 159 HH11 ARG 24 1HH1 ARG 24 -13.356 3.486 -3.807 160 HH12 ARG 24 2HH1 ARG 24 -15.024 3.024 -3.885 161 HH21 ARG 24 1HH2 ARG 24 -15.184 1.962 -0.558 162 HH22 ARG 24 2HH2 ARG 24 -16.063 2.158 -2.036 163 H ARG 25 H ARG 25 -10.870 2.110 -6.973 164 HA ARG 25 HA ARG 25 -8.072 2.143 -7.508 165 HB2 ARG 25 1HB ARG 25 -9.946 2.215 -9.220 166 HB3 ARG 25 2HB ARG 25 -10.158 3.906 -8.786 167 HG2 ARG 25 1HG ARG 25 -7.894 4.401 -9.495 168 HG3 ARG 25 2HG ARG 25 -7.620 2.697 -9.863 169 HD2 ARG 25 1HD ARG 25 -8.132 3.539 -11.944 170 HD3 ARG 25 2HD ARG 25 -9.711 2.982 -11.393 171 HE ARG 25 HE ARG 25 -8.864 5.723 -11.784 172 HH11 ARG 25 1HH1 ARG 25 -11.209 3.558 -10.395 173 HH12 ARG 25 2HH1 ARG 25 -12.450 4.763 -10.286 174 HH21 ARG 25 1HH2 ARG 25 -10.489 7.318 -11.647 175 HH22 ARG 25 2HH2 ARG 25 -12.040 6.901 -11.000 176 H LEU 26 H LEU 26 -10.360 4.455 -6.163 177 HA LEU 26 HA LEU 26 -8.813 6.760 -6.214 178 HB2 LEU 26 1HB LEU 26 -11.258 6.358 -5.453 179 HB3 LEU 26 2HB LEU 26 -10.543 6.094 -3.864 180 HG LEU 26 HG LEU 26 -11.409 8.372 -4.129 181 HD11 LEU 26 1HD1 LEU 26 -9.746 9.268 -2.901 182 HD12 LEU 26 2HD1 LEU 26 -8.503 8.852 -4.080 183 HD13 LEU 26 3HD1 LEU 26 -9.101 7.627 -2.961 184 HD21 LEU 26 3HD2 LEU 26 -10.473 8.219 -6.687 185 HD22 LEU 26 1HD2 LEU 26 -9.262 9.244 -5.917 186 HD23 LEU 26 2HD2 LEU 26 -10.964 9.705 -5.873 187 H ASP 27 H ASP 27 -8.967 4.230 -3.725 188 HA ASP 27 HA ASP 27 -7.204 5.366 -1.890 189 HB2 ASP 27 1HB ASP 27 -8.010 2.545 -2.512 190 HB3 ASP 27 2HB ASP 27 -6.730 2.852 -1.341 191 H LEU 28 H LEU 28 -6.460 2.884 -4.345 192 HA LEU 28 HA LEU 28 -3.697 2.868 -3.976 193 HB2 LEU 28 1HB LEU 28 -4.620 1.104 -5.210 194 HB3 LEU 28 2HB LEU 28 -5.448 2.198 -6.316 195 HG LEU 28 HG LEU 28 -2.931 2.849 -6.913 196 HD11 LEU 28 1HD1 LEU 28 -1.633 0.693 -7.005 197 HD12 LEU 28 2HD1 LEU 28 -2.801 0.035 -5.859 198 HD13 LEU 28 3HD1 LEU 28 -1.803 1.416 -5.405 199 HD21 LEU 28 3HD2 LEU 28 -4.163 2.235 -8.722 200 HD22 LEU 28 1HD2 LEU 28 -4.797 0.787 -7.941 201 HD23 LEU 28 2HD2 LEU 28 -3.155 0.794 -8.585 202 H ASP 29 H ASP 29 -5.713 4.870 -6.073 203 HA ASP 29 HA ASP 29 -3.773 6.113 -7.599 204 HB2 ASP 29 1HB ASP 29 -6.490 6.861 -6.657 205 HB3 ASP 29 2HB ASP 29 -5.483 8.156 -7.297 206 H PHE 30 H PHE 30 -4.690 6.693 -4.269 207 HA PHE 30 HA PHE 30 -3.053 9.072 -4.061 208 HB2 PHE 30 1HB PHE 30 -5.274 8.420 -2.765 209 HB3 PHE 30 2HB PHE 30 -4.130 7.675 -1.654 210 HD1 PHE 30 HD1 PHE 30 -2.187 9.179 -0.833 211 HD2 PHE 30 HD2 PHE 30 -5.789 10.659 -2.551 212 HE1 PHE 30 HE1 PHE 30 -1.789 11.364 0.225 213 HE2 PHE 30 HE2 PHE 30 -5.397 12.847 -1.497 214 HZ PHE 30 HZ PHE 30 -3.394 13.202 -0.108 215 H HIS 31 H HIS 31 -2.649 5.704 -3.734 216 HA HIS 31 HA HIS 31 -0.528 5.733 -1.819 217 HB2 HIS 31 1HB HIS 31 -1.502 3.649 -1.896 218 HB3 HIS 31 2HB HIS 31 -1.742 3.707 -3.640 219 HD1 HIS 31 HD1 HIS 31 0.998 3.123 -1.097 220 HD2 HIS 31 HD2 HIS 31 0.183 2.436 -5.113 221 HE1 HIS 31 HE1 HIS 31 2.869 1.659 -1.922 222 H GLN 32 H GLN 32 -0.662 5.479 -5.359 223 HA GLN 32 HA GLN 32 1.978 5.112 -5.968 224 HB2 GLN 32 1HB GLN 32 -0.081 6.821 -7.362 225 HB3 GLN 32 2HB GLN 32 1.505 6.486 -8.044 226 HG2 GLN 32 1HG GLN 32 1.030 4.262 -8.407 227 HG3 GLN 32 2HG GLN 32 -0.243 4.227 -7.188 228 HE21 GLN 32 1HE2 GLN 32 -1.752 3.343 -8.569 229 HE22 GLN 32 2HE2 GLN 32 -2.463 4.232 -9.868 230 H ARG 33 H ARG 33 0.530 7.874 -4.521 231 HA ARG 33 HA ARG 33 2.133 9.976 -5.222 232 HB2 ARG 33 1HB ARG 33 1.169 9.309 -2.434 233 HB3 ARG 33 2HB ARG 33 1.725 10.889 -2.970 234 HG2 ARG 33 1HG ARG 33 -0.500 9.604 -4.461 235 HG3 ARG 33 2HG ARG 33 -0.834 10.283 -2.866 236 HD2 ARG 33 1HD ARG 33 -1.239 12.111 -4.186 237 HD3 ARG 33 2HD ARG 33 0.471 12.349 -3.830 238 HE ARG 33 HE ARG 33 0.535 10.927 -6.118 239 HH11 ARG 33 1HH1 ARG 33 -1.177 13.806 -5.172 240 HH12 ARG 33 2HH1 ARG 33 -1.204 14.473 -6.770 241 HH21 ARG 33 1HH2 ARG 33 0.507 11.794 -8.227 242 HH22 ARG 33 2HH2 ARG 33 -0.246 13.327 -8.508 243 H VAL 34 H VAL 34 2.845 7.468 -2.817 244 HA VAL 34 HA VAL 34 5.287 8.494 -1.909 245 HB VAL 34 HB VAL 34 5.734 6.357 -0.977 246 HG11 VAL 34 1HG1 VAL 34 3.056 5.757 -0.523 247 HG12 VAL 34 2HG1 VAL 34 4.083 6.820 0.441 248 HG13 VAL 34 3HG1 VAL 34 3.080 7.491 -0.846 249 HG21 VAL 34 3HG2 VAL 34 4.250 4.381 -1.676 250 HG22 VAL 34 1HG2 VAL 34 3.901 5.333 -3.120 251 HG23 VAL 34 2HG2 VAL 34 5.560 4.854 -2.759 252 H HIS 35 H HIS 35 4.502 6.468 -4.678 253 HA HIS 35 HA HIS 35 7.214 5.896 -5.366 254 HB2 HIS 35 1HB HIS 35 4.636 5.675 -6.926 255 HB3 HIS 35 2HB HIS 35 6.199 5.159 -7.555 256 HD1 HIS 35 HD1 HIS 35 7.442 3.396 -5.711 257 HD2 HIS 35 HD2 HIS 35 3.295 3.611 -5.838 258 HE1 HIS 35 HE1 HIS 35 6.626 1.259 -4.667 259 H THR 36 H THR 36 4.856 8.329 -6.325 260 HA THR 36 HA THR 36 6.438 9.429 -8.430 261 HB THR 36 HB THR 36 4.854 11.310 -8.389 262 HG1 THR 36 HG1 THR 36 4.603 10.883 -5.912 263 HG21 THR 36 3HG2 THR 36 4.291 8.659 -9.001 264 HG22 THR 36 1HG2 THR 36 3.380 10.074 -9.527 265 HG23 THR 36 2HG2 THR 36 2.891 9.199 -8.076 266 H GLY 37 H GLY 37 8.494 9.807 -7.532 267 HA2 GLY 37 1HA GLY 37 10.079 11.303 -6.760 268 HA3 GLY 37 2HA GLY 37 8.774 12.393 -6.314 269 H GLU 38 H GLU 38 10.214 9.292 -5.310 270 HA GLU 38 HA GLU 38 9.233 9.481 -2.644 271 HB2 GLU 38 1HB GLU 38 9.873 7.352 -3.823 272 HB3 GLU 38 2HB GLU 38 11.556 7.819 -3.626 273 HG2 GLU 38 1HG GLU 38 11.475 7.583 -1.306 274 HG3 GLU 38 2HG GLU 38 9.712 7.603 -1.277 275 H LYS 39 H LYS 39 12.129 10.543 -4.269 276 HA LYS 39 HA LYS 39 13.033 11.766 -1.749 277 HB2 LYS 39 1HB LYS 39 14.392 9.735 -2.588 278 HB3 LYS 39 2HB LYS 39 14.962 10.816 -3.852 279 HG2 LYS 39 1HG LYS 39 15.963 12.277 -2.254 280 HG3 LYS 39 2HG LYS 39 15.221 11.402 -0.913 281 HD2 LYS 39 1HD LYS 39 17.340 10.514 -0.885 282 HD3 LYS 39 2HD LYS 39 16.515 9.362 -1.938 283 HE2 LYS 39 1HE LYS 39 17.308 10.771 -3.881 284 HE3 LYS 39 2HE LYS 39 18.330 11.629 -2.729 285 HZ1 LYS 39 3HZ LYS 39 19.444 9.573 -2.202 286 HZ2 LYS 39 1HZ LYS 39 19.511 9.836 -3.872 287 HZ3 LYS 39 2HZ LYS 39 18.426 8.705 -3.237 288 H LEU 40 H LEU 40 14.165 13.757 -1.961 289 HA LEU 40 HA LEU 40 13.238 15.336 -4.197 290 HB2 LEU 40 1HB LEU 40 13.922 17.226 -2.971 291 HB3 LEU 40 2HB LEU 40 13.234 16.102 -1.801 292 HG LEU 40 HG LEU 40 15.797 15.425 -1.539 293 HD11 LEU 40 1HD1 LEU 40 16.212 18.333 -1.840 294 HD12 LEU 40 2HD1 LEU 40 16.146 17.387 -3.326 295 HD13 LEU 40 3HD1 LEU 40 17.331 16.992 -2.082 296 HD21 LEU 40 3HD2 LEU 40 14.806 17.930 -0.214 297 HD22 LEU 40 1HD2 LEU 40 15.807 16.642 0.458 298 HD23 LEU 40 2HD2 LEU 40 14.098 16.352 0.135 299 H SER 41 H SER 41 14.661 16.743 -5.428 300 HA SER 41 HA SER 41 17.071 15.331 -6.225 301 HB2 SER 41 1HB SER 41 17.064 16.732 -8.172 302 HB3 SER 41 2HB SER 41 15.397 16.234 -7.885 303 HG SER 41 HG SER 41 15.579 18.405 -6.547 304 H GLY 42 H GLY 42 18.983 15.792 -5.376 305 HA2 GLY 42 1HA GLY 42 20.005 18.422 -5.173 306 HA3 GLY 42 2HA GLY 42 19.493 17.867 -3.586 307 HA PRO 43 HA PRO 43 23.165 15.552 -2.988 308 HB2 PRO 43 1HB PRO 43 22.348 13.082 -2.215 309 HB3 PRO 43 2HB PRO 43 22.194 14.510 -1.185 310 HG2 PRO 43 1HG PRO 43 20.132 13.179 -2.900 311 HG3 PRO 43 2HG PRO 43 19.975 13.817 -1.253 312 HD2 PRO 43 1HD PRO 43 19.108 15.174 -3.430 313 HD3 PRO 43 2HD PRO 43 19.735 15.990 -1.983 314 H SER 44 H SER 44 20.802 13.618 -4.816 315 HA SER 44 HA SER 44 22.591 13.192 -6.980 316 HB2 SER 44 1HB SER 44 22.921 10.779 -6.753 317 HB3 SER 44 2HB SER 44 23.602 11.620 -5.360 318 HG SER 44 HG SER 44 21.057 10.361 -5.451 319 H SER 45 H SER 45 21.613 12.074 -8.736 320 HA SER 45 HA SER 45 18.909 11.093 -8.465 321 HB2 SER 45 1HB SER 45 19.524 13.670 -9.910 322 HB3 SER 45 2HB SER 45 18.088 12.711 -10.264 323 HG SER 45 HG SER 45 18.755 13.616 -7.663 324 H GLY 46 H GLY 46 18.599 9.475 -9.856 325 HA2 GLY 46 1HA GLY 46 18.832 9.064 -12.402 326 HA3 GLY 46 2HA GLY 46 20.548 9.154 -12.034 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 11.541 -16.673 9.266 2 HA2 GLY 1 1HA GLY 1 8.793 -17.355 8.554 3 HA3 GLY 1 2HA GLY 1 9.019 -16.460 10.050 4 H SER 2 H SER 2 9.980 -16.333 6.622 5 HA SER 2 HA SER 2 10.811 -13.786 6.337 6 HB2 SER 2 1HB SER 2 8.998 -15.385 4.531 7 HB3 SER 2 2HB SER 2 9.634 -13.807 4.065 8 HG SER 2 HG SER 2 10.963 -16.241 4.405 9 H SER 3 H SER 3 10.043 -11.981 7.206 10 HA SER 3 HA SER 3 7.185 -11.634 7.612 11 HB2 SER 3 1HB SER 3 9.127 -11.004 9.262 12 HB3 SER 3 2HB SER 3 9.219 -9.536 8.289 13 HG SER 3 HG SER 3 7.473 -10.151 10.211 14 H GLY 4 H GLY 4 5.894 -10.263 6.506 15 HA2 GLY 4 1HA GLY 4 6.546 -7.971 5.141 16 HA3 GLY 4 2HA GLY 4 6.815 -9.268 3.986 17 H SER 5 H SER 5 5.168 -8.751 2.595 18 HA SER 5 HA SER 5 2.444 -8.678 3.685 19 HB2 SER 5 1HB SER 5 3.161 -6.796 2.223 20 HB3 SER 5 2HB SER 5 3.396 -7.945 0.906 21 HG SER 5 HG SER 5 1.138 -8.480 1.163 22 H SER 6 H SER 6 1.310 -10.489 3.628 23 HA SER 6 HA SER 6 1.925 -12.477 1.543 24 HB2 SER 6 1HB SER 6 1.344 -14.202 3.041 25 HB3 SER 6 2HB SER 6 2.258 -13.064 4.030 26 HG SER 6 HG SER 6 0.519 -12.638 5.150 27 H GLY 7 H GLY 7 0.214 -13.556 0.502 28 HA2 GLY 7 1HA GLY 7 -1.899 -12.075 -0.391 29 HA3 GLY 7 2HA GLY 7 -1.913 -13.832 -0.343 30 H SER 8 H SER 8 -3.275 -10.983 0.884 31 HA SER 8 HA SER 8 -4.567 -12.429 3.094 32 HB2 SER 8 1HB SER 8 -5.224 -10.143 3.890 33 HB3 SER 8 2HB SER 8 -3.481 -10.407 3.836 34 HG SER 8 HG SER 8 -3.361 -9.188 1.990 35 H GLY 9 H GLY 9 -5.275 -10.220 0.399 36 HA2 GLY 9 1HA GLY 9 -7.868 -11.531 0.077 37 HA3 GLY 9 2HA GLY 9 -7.881 -9.801 0.386 38 H GLU 10 H GLU 10 -9.059 -10.544 -1.865 39 HA GLU 10 HA GLU 10 -7.079 -10.168 -4.006 40 HB2 GLU 10 1HB GLU 10 -8.779 -11.035 -5.533 41 HB3 GLU 10 2HB GLU 10 -8.475 -12.171 -4.226 42 HG2 GLU 10 1HG GLU 10 -10.497 -11.271 -3.075 43 HG3 GLU 10 2HG GLU 10 -10.830 -10.328 -4.527 44 H LYS 11 H LYS 11 -7.046 -8.342 -5.156 45 HA LYS 11 HA LYS 11 -9.358 -6.530 -4.989 46 HB2 LYS 11 1HB LYS 11 -6.448 -5.881 -4.567 47 HB3 LYS 11 2HB LYS 11 -7.613 -4.648 -5.028 48 HG2 LYS 11 1HG LYS 11 -7.549 -4.444 -2.734 49 HG3 LYS 11 2HG LYS 11 -8.951 -5.487 -2.980 50 HD2 LYS 11 1HD LYS 11 -7.866 -6.642 -1.322 51 HD3 LYS 11 2HD LYS 11 -7.155 -7.398 -2.750 52 HE2 LYS 11 1HE LYS 11 -5.309 -6.937 -1.412 53 HE3 LYS 11 2HE LYS 11 -5.341 -5.582 -2.540 54 HZ1 LYS 11 3HZ LYS 11 -6.832 -4.601 -0.582 55 HZ2 LYS 11 1HZ LYS 11 -5.151 -4.413 -0.639 56 HZ3 LYS 11 2HZ LYS 11 -5.835 -5.623 0.325 57 HA PRO 12 HA PRO 12 -9.049 -6.425 -9.382 58 HB2 PRO 12 1HB PRO 12 -10.428 -4.132 -9.841 59 HB3 PRO 12 2HB PRO 12 -11.209 -5.643 -9.362 60 HG2 PRO 12 1HG PRO 12 -10.476 -3.276 -7.683 61 HG3 PRO 12 2HG PRO 12 -11.962 -4.243 -7.665 62 HD2 PRO 12 1HD PRO 12 -9.985 -4.577 -5.846 63 HD3 PRO 12 2HD PRO 12 -11.007 -5.918 -6.403 64 H TYR 13 H TYR 13 -8.380 -3.397 -7.639 65 HA TYR 13 HA TYR 13 -6.608 -2.527 -9.790 66 HB2 TYR 13 1HB TYR 13 -7.201 -1.012 -7.254 67 HB3 TYR 13 2HB TYR 13 -6.647 -0.377 -8.799 68 HD1 TYR 13 HD1 TYR 13 -8.220 -0.226 -10.709 69 HD2 TYR 13 HD2 TYR 13 -9.522 -1.374 -6.824 70 HE1 TYR 13 HE1 TYR 13 -10.547 0.237 -11.358 71 HE2 TYR 13 HE2 TYR 13 -11.853 -0.915 -7.463 72 HH TYR 13 HH TYR 13 -12.780 -0.310 -10.724 73 H LYS 14 H LYS 14 -4.428 -2.344 -9.608 74 HA LYS 14 HA LYS 14 -3.154 -2.853 -7.031 75 HB2 LYS 14 1HB LYS 14 -2.532 -4.463 -9.515 76 HB3 LYS 14 2HB LYS 14 -1.667 -4.560 -7.987 77 HG2 LYS 14 1HG LYS 14 -3.047 -6.342 -7.740 78 HG3 LYS 14 2HG LYS 14 -4.091 -5.088 -7.067 79 HD2 LYS 14 1HD LYS 14 -5.470 -6.277 -8.546 80 HD3 LYS 14 2HD LYS 14 -5.007 -4.826 -9.439 81 HE2 LYS 14 1HE LYS 14 -4.701 -6.509 -11.003 82 HE3 LYS 14 2HE LYS 14 -3.079 -6.290 -10.349 83 HZ1 LYS 14 3HZ LYS 14 -4.938 -8.333 -9.286 84 HZ2 LYS 14 1HZ LYS 14 -3.262 -8.231 -9.077 85 HZ3 LYS 14 2HZ LYS 14 -3.902 -8.652 -10.585 86 H CYS 15 H CYS 15 -1.043 -2.060 -6.865 87 HA CYS 15 HA CYS 15 -0.458 0.176 -8.523 88 HB2 CYS 15 1HB CYS 15 0.120 -0.042 -6.077 89 HB3 CYS 15 2HB CYS 15 1.399 -1.157 -6.547 90 H VAL 16 H VAL 16 1.567 0.514 -9.688 91 HA VAL 16 HA VAL 16 2.369 -1.925 -11.120 92 HB VAL 16 HB VAL 16 1.455 -0.283 -12.607 93 HG11 VAL 16 1HG1 VAL 16 1.572 1.889 -12.172 94 HG12 VAL 16 2HG1 VAL 16 2.676 1.566 -10.833 95 HG13 VAL 16 3HG1 VAL 16 3.313 1.859 -12.452 96 HG21 VAL 16 3HG2 VAL 16 3.216 -0.078 -14.178 97 HG22 VAL 16 1HG2 VAL 16 4.442 -0.071 -12.910 98 HG23 VAL 16 2HG2 VAL 16 3.544 -1.548 -13.261 99 H GLU 17 H GLU 17 3.499 0.515 -8.996 100 HA GLU 17 HA GLU 17 6.286 0.251 -9.661 101 HB2 GLU 17 1HB GLU 17 4.816 1.605 -7.405 102 HB3 GLU 17 2HB GLU 17 6.571 1.548 -7.482 103 HG2 GLU 17 1HG GLU 17 5.235 3.593 -8.423 104 HG3 GLU 17 2HG GLU 17 6.687 3.003 -9.228 105 H CYS 18 H CYS 18 4.273 -0.706 -6.882 106 HA CYS 18 HA CYS 18 6.369 -2.621 -6.112 107 HB2 CYS 18 1HB CYS 18 5.284 -2.649 -3.897 108 HB3 CYS 18 2HB CYS 18 5.784 -1.026 -4.361 109 H GLY 19 H GLY 19 2.916 -2.293 -6.764 110 HA2 GLY 19 1HA GLY 19 1.750 -4.049 -7.928 111 HA3 GLY 19 2HA GLY 19 2.806 -5.212 -7.141 112 H LYS 20 H LYS 20 1.540 -2.640 -5.229 113 HA LYS 20 HA LYS 20 0.347 -4.346 -3.358 114 HB2 LYS 20 1HB LYS 20 0.309 -1.411 -3.870 115 HB3 LYS 20 2HB LYS 20 -0.906 -2.068 -2.781 116 HG2 LYS 20 1HG LYS 20 2.047 -2.536 -2.455 117 HG3 LYS 20 2HG LYS 20 1.166 -1.221 -1.675 118 HD2 LYS 20 1HD LYS 20 0.064 -2.626 -0.245 119 HD3 LYS 20 2HD LYS 20 0.109 -3.984 -1.371 120 HE2 LYS 20 1HE LYS 20 2.300 -4.536 -0.805 121 HE3 LYS 20 2HE LYS 20 2.625 -2.944 -0.121 122 HZ1 LYS 20 3HZ LYS 20 2.350 -4.152 1.771 123 HZ2 LYS 20 1HZ LYS 20 1.252 -5.235 1.075 124 HZ3 LYS 20 2HZ LYS 20 0.742 -3.686 1.524 125 H GLY 21 H GLY 21 -2.099 -3.714 -2.686 126 HA2 GLY 21 1HA GLY 21 -3.795 -3.862 -5.081 127 HA3 GLY 21 2HA GLY 21 -3.917 -5.134 -3.875 128 H TYR 22 H TYR 22 -5.587 -2.678 -4.932 129 HA TYR 22 HA TYR 22 -6.633 -2.017 -2.271 130 HB2 TYR 22 1HB TYR 22 -5.985 -0.058 -4.476 131 HB3 TYR 22 2HB TYR 22 -7.038 0.333 -3.121 132 HD1 TYR 22 HD2 TYR 22 -3.581 -0.590 -4.051 133 HD2 TYR 22 HD1 TYR 22 -6.143 0.886 -0.992 134 HE1 TYR 22 HE2 TYR 22 -1.614 0.028 -2.710 135 HE2 TYR 22 HE1 TYR 22 -4.184 1.510 0.357 136 HH TYR 22 HH TYR 22 -0.944 1.349 -0.926 137 H LYS 23 H LYS 23 -8.739 -2.393 -2.134 138 HA LYS 23 HA LYS 23 -10.270 -3.351 -4.282 139 HB2 LYS 23 1HB LYS 23 -11.018 -2.337 -1.545 140 HB3 LYS 23 2HB LYS 23 -12.223 -2.934 -2.679 141 HG2 LYS 23 1HG LYS 23 -10.926 -5.079 -2.777 142 HG3 LYS 23 2HG LYS 23 -9.946 -4.461 -1.445 143 HD2 LYS 23 1HD LYS 23 -11.592 -5.765 -0.405 144 HD3 LYS 23 2HD LYS 23 -12.165 -4.106 -0.219 145 HE2 LYS 23 1HE LYS 23 -13.655 -4.396 -2.125 146 HE3 LYS 23 2HE LYS 23 -13.057 -6.038 -2.358 147 HZ1 LYS 23 3HZ LYS 23 -15.138 -6.081 -1.182 148 HZ2 LYS 23 1HZ LYS 23 -14.547 -5.029 0.004 149 HZ3 LYS 23 2HZ LYS 23 -13.907 -6.588 -0.139 150 H ARG 24 H ARG 24 -9.793 -0.136 -3.013 151 HA ARG 24 HA ARG 24 -11.741 0.904 -4.963 152 HB2 ARG 24 1HB ARG 24 -12.390 1.565 -2.764 153 HB3 ARG 24 2HB ARG 24 -10.749 2.042 -2.353 154 HG2 ARG 24 1HG ARG 24 -11.654 4.089 -2.737 155 HG3 ARG 24 2HG ARG 24 -11.102 3.707 -4.370 156 HD2 ARG 24 1HD ARG 24 -13.309 2.990 -5.003 157 HD3 ARG 24 2HD ARG 24 -13.885 3.165 -3.346 158 HE ARG 24 HE ARG 24 -12.840 5.577 -4.556 159 HH11 ARG 24 1HH1 ARG 24 -15.642 3.615 -3.908 160 HH12 ARG 24 2HH1 ARG 24 -16.763 4.921 -4.101 161 HH21 ARG 24 1HH2 ARG 24 -14.307 7.305 -4.812 162 HH22 ARG 24 2HH2 ARG 24 -16.003 7.020 -4.616 163 H ARG 25 H ARG 25 -10.650 1.364 -6.777 164 HA ARG 25 HA ARG 25 -8.043 1.850 -7.236 165 HB2 ARG 25 1HB ARG 25 -9.932 1.812 -8.926 166 HB3 ARG 25 2HB ARG 25 -10.187 3.512 -8.556 167 HG2 ARG 25 1HG ARG 25 -7.816 3.931 -9.216 168 HG3 ARG 25 2HG ARG 25 -7.736 2.254 -9.760 169 HD2 ARG 25 1HD ARG 25 -9.969 3.950 -10.748 170 HD3 ARG 25 2HD ARG 25 -8.358 4.230 -11.407 171 HE ARG 25 HE ARG 25 -9.100 1.467 -11.439 172 HH11 ARG 25 1HH1 ARG 25 -9.408 4.499 -13.122 173 HH12 ARG 25 2HH1 ARG 25 -9.696 3.763 -14.664 174 HH21 ARG 25 1HH2 ARG 25 -9.479 0.486 -13.464 175 HH22 ARG 25 2HH2 ARG 25 -9.737 1.481 -14.857 176 H LEU 26 H LEU 26 -10.376 4.222 -6.047 177 HA LEU 26 HA LEU 26 -8.867 6.531 -6.189 178 HB2 LEU 26 1HB LEU 26 -11.223 6.452 -5.521 179 HB3 LEU 26 2HB LEU 26 -10.760 5.712 -3.990 180 HG LEU 26 HG LEU 26 -11.311 8.098 -3.765 181 HD11 LEU 26 1HD1 LEU 26 -9.734 8.438 -2.183 182 HD12 LEU 26 2HD1 LEU 26 -8.399 8.060 -3.271 183 HD13 LEU 26 3HD1 LEU 26 -9.341 6.757 -2.546 184 HD21 LEU 26 3HD2 LEU 26 -8.917 9.207 -4.871 185 HD22 LEU 26 1HD2 LEU 26 -10.598 9.616 -5.217 186 HD23 LEU 26 2HD2 LEU 26 -9.798 8.334 -6.127 187 H ASP 27 H ASP 27 -8.906 4.081 -3.626 188 HA ASP 27 HA ASP 27 -7.141 5.355 -1.864 189 HB2 ASP 27 1HB ASP 27 -7.943 2.500 -2.306 190 HB3 ASP 27 2HB ASP 27 -6.643 2.878 -1.179 191 H LEU 28 H LEU 28 -6.512 3.026 -4.469 192 HA LEU 28 HA LEU 28 -3.735 2.832 -4.082 193 HB2 LEU 28 1HB LEU 28 -4.713 1.173 -5.404 194 HB3 LEU 28 2HB LEU 28 -5.542 2.348 -6.423 195 HG LEU 28 HG LEU 28 -3.021 2.975 -7.041 196 HD11 LEU 28 1HD1 LEU 28 -2.154 1.233 -5.474 197 HD12 LEU 28 2HD1 LEU 28 -1.601 1.062 -7.140 198 HD13 LEU 28 3HD1 LEU 28 -2.876 0.012 -6.522 199 HD21 LEU 28 3HD2 LEU 28 -4.975 1.044 -8.151 200 HD22 LEU 28 1HD2 LEU 28 -3.348 1.033 -8.830 201 HD23 LEU 28 2HD2 LEU 28 -4.304 2.515 -8.857 202 H ASP 29 H ASP 29 -5.635 4.882 -6.279 203 HA ASP 29 HA ASP 29 -3.643 6.171 -7.643 204 HB2 ASP 29 1HB ASP 29 -6.188 6.464 -7.826 205 HB3 ASP 29 2HB ASP 29 -6.017 7.675 -6.558 206 H PHE 30 H PHE 30 -4.713 6.740 -4.344 207 HA PHE 30 HA PHE 30 -3.064 9.074 -3.997 208 HB2 PHE 30 1HB PHE 30 -5.277 8.364 -2.752 209 HB3 PHE 30 2HB PHE 30 -4.158 7.520 -1.688 210 HD1 PHE 30 HD1 PHE 30 -2.176 8.946 -0.776 211 HD2 PHE 30 HD2 PHE 30 -5.788 10.570 -2.335 212 HE1 PHE 30 HE1 PHE 30 -1.759 11.040 0.448 213 HE2 PHE 30 HE2 PHE 30 -5.377 12.666 -1.115 214 HZ PHE 30 HZ PHE 30 -3.360 12.904 0.278 215 H HIS 31 H HIS 31 -2.669 5.673 -3.701 216 HA HIS 31 HA HIS 31 -0.501 5.705 -1.842 217 HB2 HIS 31 1HB HIS 31 -1.475 3.623 -1.877 218 HB3 HIS 31 2HB HIS 31 -1.775 3.674 -3.612 219 HD1 HIS 31 HD1 HIS 31 1.047 3.088 -1.162 220 HD2 HIS 31 HD2 HIS 31 0.093 2.388 -5.144 221 HE1 HIS 31 HE1 HIS 31 2.882 1.611 -2.043 222 H GLN 32 H GLN 32 -0.719 5.434 -5.376 223 HA GLN 32 HA GLN 32 1.902 5.045 -6.046 224 HB2 GLN 32 1HB GLN 32 -0.226 6.703 -7.382 225 HB3 GLN 32 2HB GLN 32 1.366 6.491 -8.096 226 HG2 GLN 32 1HG GLN 32 1.041 4.226 -8.467 227 HG3 GLN 32 2HG GLN 32 -0.265 4.122 -7.287 228 HE21 GLN 32 1HE2 GLN 32 -1.753 3.236 -8.657 229 HE22 GLN 32 2HE2 GLN 32 -2.440 4.089 -9.993 230 H ARG 33 H ARG 33 0.520 7.812 -4.555 231 HA ARG 33 HA ARG 33 2.183 9.875 -5.324 232 HB2 ARG 33 1HB ARG 33 0.846 9.244 -2.705 233 HB3 ARG 33 2HB ARG 33 1.835 10.686 -2.896 234 HG2 ARG 33 1HG ARG 33 0.354 11.237 -4.893 235 HG3 ARG 33 2HG ARG 33 -0.728 9.983 -4.283 236 HD2 ARG 33 1HD ARG 33 -1.591 11.884 -3.296 237 HD3 ARG 33 2HD ARG 33 -0.523 11.269 -2.036 238 HE ARG 33 HE ARG 33 0.783 13.131 -2.283 239 HH11 ARG 33 1HH1 ARG 33 -1.331 12.845 -5.035 240 HH12 ARG 33 2HH1 ARG 33 -0.907 14.394 -5.686 241 HH21 ARG 33 1HH2 ARG 33 1.350 15.172 -3.131 242 HH22 ARG 33 2HH2 ARG 33 0.619 15.716 -4.603 243 H VAL 34 H VAL 34 2.761 7.358 -2.907 244 HA VAL 34 HA VAL 34 5.198 8.368 -1.918 245 HB VAL 34 HB VAL 34 5.586 6.169 -0.991 246 HG11 VAL 34 1HG1 VAL 34 2.810 7.265 -0.883 247 HG12 VAL 34 2HG1 VAL 34 3.201 5.780 -0.014 248 HG13 VAL 34 3HG1 VAL 34 4.069 7.272 0.352 249 HG21 VAL 34 3HG2 VAL 34 3.183 4.954 -2.201 250 HG22 VAL 34 1HG2 VAL 34 4.574 5.158 -3.266 251 HG23 VAL 34 2HG2 VAL 34 4.733 4.227 -1.776 252 H HIS 35 H HIS 35 4.396 6.740 -4.842 253 HA HIS 35 HA HIS 35 7.134 5.920 -5.375 254 HB2 HIS 35 1HB HIS 35 4.564 5.656 -6.935 255 HB3 HIS 35 2HB HIS 35 6.127 5.173 -7.586 256 HD1 HIS 35 HD1 HIS 35 7.434 3.476 -5.688 257 HD2 HIS 35 HD2 HIS 35 3.285 3.531 -5.893 258 HE1 HIS 35 HE1 HIS 35 6.681 1.316 -4.644 259 H THR 36 H THR 36 4.860 8.411 -6.320 260 HA THR 36 HA THR 36 6.536 9.439 -8.428 261 HB THR 36 HB THR 36 4.900 11.328 -8.475 262 HG1 THR 36 HG1 THR 36 3.030 11.090 -7.150 263 HG21 THR 36 3HG2 THR 36 3.669 8.570 -8.529 264 HG22 THR 36 1HG2 THR 36 4.568 9.317 -9.849 265 HG23 THR 36 2HG2 THR 36 3.032 10.007 -9.327 266 H GLY 37 H GLY 37 8.255 9.388 -6.477 267 HA2 GLY 37 1HA GLY 37 8.998 12.092 -6.084 268 HA3 GLY 37 2HA GLY 37 8.329 11.439 -4.595 269 H GLU 38 H GLU 38 11.083 11.709 -6.546 270 HA GLU 38 HA GLU 38 13.234 11.010 -6.303 271 HB2 GLU 38 1HB GLU 38 12.719 11.687 -3.907 272 HB3 GLU 38 2HB GLU 38 12.440 9.982 -3.581 273 HG2 GLU 38 1HG GLU 38 14.637 10.365 -2.909 274 HG3 GLU 38 2HG GLU 38 14.782 9.586 -4.483 275 H LYS 39 H LYS 39 11.874 9.360 -7.829 276 HA LYS 39 HA LYS 39 12.427 6.643 -6.842 277 HB2 LYS 39 1HB LYS 39 10.067 7.392 -7.661 278 HB3 LYS 39 2HB LYS 39 10.761 7.228 -9.268 279 HG2 LYS 39 1HG LYS 39 9.845 5.156 -8.991 280 HG3 LYS 39 2HG LYS 39 11.476 4.868 -8.379 281 HD2 LYS 39 1HD LYS 39 9.365 5.771 -6.478 282 HD3 LYS 39 2HD LYS 39 9.358 4.092 -7.022 283 HE2 LYS 39 1HE LYS 39 11.858 4.115 -6.380 284 HE3 LYS 39 2HE LYS 39 11.454 5.567 -5.465 285 HZ1 LYS 39 3HZ LYS 39 11.340 3.559 -4.105 286 HZ2 LYS 39 1HZ LYS 39 10.155 2.917 -5.127 287 HZ3 LYS 39 2HZ LYS 39 9.827 4.308 -4.222 288 H LEU 40 H LEU 40 13.966 5.458 -7.788 289 HA LEU 40 HA LEU 40 15.815 6.558 -9.564 290 HB2 LEU 40 1HB LEU 40 16.849 4.449 -9.614 291 HB3 LEU 40 2HB LEU 40 16.129 4.595 -8.012 292 HG LEU 40 HG LEU 40 14.638 3.166 -10.173 293 HD11 LEU 40 1HD1 LEU 40 17.089 2.367 -9.960 294 HD12 LEU 40 2HD1 LEU 40 15.789 1.176 -9.907 295 HD13 LEU 40 3HD1 LEU 40 16.563 1.703 -8.412 296 HD21 LEU 40 3HD2 LEU 40 13.362 3.426 -8.240 297 HD22 LEU 40 1HD2 LEU 40 14.739 3.141 -7.176 298 HD23 LEU 40 2HD2 LEU 40 14.032 1.802 -8.080 299 H SER 41 H SER 41 12.946 4.616 -10.145 300 HA SER 41 HA SER 41 13.493 4.604 -13.022 301 HB2 SER 41 1HB SER 41 12.847 2.456 -12.097 302 HB3 SER 41 2HB SER 41 11.396 3.161 -11.383 303 HG SER 41 HG SER 41 10.641 2.354 -13.229 304 H GLY 42 H GLY 42 11.805 5.220 -14.525 305 HA2 GLY 42 1HA GLY 42 9.402 6.329 -14.209 306 HA3 GLY 42 2HA GLY 42 10.434 7.620 -13.611 307 HA PRO 43 HA PRO 43 10.213 7.283 -18.430 308 HB2 PRO 43 1HB PRO 43 7.893 8.571 -19.001 309 HB3 PRO 43 2HB PRO 43 7.994 6.818 -18.800 310 HG2 PRO 43 1HG PRO 43 7.096 8.900 -16.845 311 HG3 PRO 43 2HG PRO 43 6.381 7.317 -17.200 312 HD2 PRO 43 1HD PRO 43 7.956 7.751 -15.041 313 HD3 PRO 43 2HD PRO 43 7.906 6.192 -15.888 314 H SER 44 H SER 44 10.288 9.463 -15.962 315 HA SER 44 HA SER 44 9.935 11.982 -16.748 316 HB2 SER 44 1HB SER 44 11.912 12.652 -15.475 317 HB3 SER 44 2HB SER 44 11.071 11.343 -14.644 318 HG SER 44 HG SER 44 12.678 10.011 -15.998 319 H SER 45 H SER 45 10.498 13.299 -18.356 320 HA SER 45 HA SER 45 12.941 12.778 -19.875 321 HB2 SER 45 1HB SER 45 11.670 13.101 -22.020 322 HB3 SER 45 2HB SER 45 11.286 11.605 -21.171 323 HG SER 45 HG SER 45 9.768 13.976 -20.870 324 H GLY 46 H GLY 46 13.305 14.603 -21.513 325 HA2 GLY 46 1HA GLY 46 13.887 16.833 -21.660 326 HA3 GLY 46 2HA GLY 46 12.149 17.059 -21.538 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -8.246 -24.785 8.468 2 HA2 GLY 1 1HA GLY 1 -7.412 -25.034 6.327 3 HA3 GLY 1 2HA GLY 1 -7.157 -23.297 6.267 4 H SER 2 H SER 2 -5.254 -24.615 5.084 5 HA SER 2 HA SER 2 -3.055 -24.762 7.042 6 HB2 SER 2 1HB SER 2 -3.556 -26.964 6.045 7 HB3 SER 2 2HB SER 2 -3.305 -26.287 4.437 8 HG SER 2 HG SER 2 -1.235 -26.486 4.709 9 H SER 3 H SER 3 -3.817 -22.340 5.928 10 HA SER 3 HA SER 3 -1.566 -21.794 4.107 11 HB2 SER 3 1HB SER 3 -4.362 -20.654 4.062 12 HB3 SER 3 2HB SER 3 -3.013 -19.901 3.211 13 HG SER 3 HG SER 3 -4.527 -21.929 2.415 14 H GLY 4 H GLY 4 -0.161 -20.299 4.779 15 HA2 GLY 4 1HA GLY 4 -1.036 -18.348 6.802 16 HA3 GLY 4 2HA GLY 4 0.392 -19.327 7.104 17 H SER 5 H SER 5 0.352 -16.495 7.024 18 HA SER 5 HA SER 5 1.246 -14.667 5.946 19 HB2 SER 5 1HB SER 5 3.590 -14.879 5.662 20 HB3 SER 5 2HB SER 5 3.170 -16.050 6.911 21 HG SER 5 HG SER 5 4.586 -16.801 5.154 22 H SER 6 H SER 6 -0.587 -15.902 4.264 23 HA SER 6 HA SER 6 0.682 -15.495 1.637 24 HB2 SER 6 1HB SER 6 -0.922 -17.171 0.714 25 HB3 SER 6 2HB SER 6 0.222 -17.865 1.863 26 HG SER 6 HG SER 6 -2.510 -17.613 2.027 27 H GLY 7 H GLY 7 -0.542 -14.429 0.071 28 HA2 GLY 7 1HA GLY 7 -2.177 -12.358 0.891 29 HA3 GLY 7 2HA GLY 7 -2.136 -12.992 -0.748 30 H SER 8 H SER 8 -4.426 -11.931 0.585 31 HA SER 8 HA SER 8 -6.130 -14.329 0.561 32 HB2 SER 8 1HB SER 8 -5.908 -13.653 2.885 33 HB3 SER 8 2HB SER 8 -6.331 -11.991 2.475 34 HG SER 8 HG SER 8 -8.370 -12.961 1.675 35 H GLY 9 H GLY 9 -7.610 -14.217 -0.985 36 HA2 GLY 9 1HA GLY 9 -9.156 -13.378 -2.464 37 HA3 GLY 9 2HA GLY 9 -9.255 -11.959 -1.433 38 H GLU 10 H GLU 10 -9.317 -12.081 -4.330 39 HA GLU 10 HA GLU 10 -6.781 -10.791 -5.049 40 HB2 GLU 10 1HB GLU 10 -7.592 -11.047 -7.396 41 HB3 GLU 10 2HB GLU 10 -7.379 -12.570 -6.543 42 HG2 GLU 10 1HG GLU 10 -9.783 -12.682 -6.135 43 HG3 GLU 10 2HG GLU 10 -9.998 -11.157 -6.992 44 H LYS 11 H LYS 11 -6.656 -8.673 -5.465 45 HA LYS 11 HA LYS 11 -9.082 -7.077 -5.173 46 HB2 LYS 11 1HB LYS 11 -6.172 -6.262 -5.265 47 HB3 LYS 11 2HB LYS 11 -7.517 -5.162 -4.998 48 HG2 LYS 11 1HG LYS 11 -7.057 -7.516 -3.204 49 HG3 LYS 11 2HG LYS 11 -6.201 -5.991 -2.966 50 HD2 LYS 11 1HD LYS 11 -8.386 -4.832 -2.851 51 HD3 LYS 11 2HD LYS 11 -9.192 -6.396 -2.981 52 HE2 LYS 11 1HE LYS 11 -7.931 -7.101 -0.926 53 HE3 LYS 11 2HE LYS 11 -7.397 -5.429 -0.763 54 HZ1 LYS 11 3HZ LYS 11 -9.249 -5.194 0.438 55 HZ2 LYS 11 1HZ LYS 11 -9.957 -6.607 -0.166 56 HZ3 LYS 11 2HZ LYS 11 -10.063 -5.165 -1.044 57 HA PRO 12 HA PRO 12 -9.476 -6.133 -9.447 58 HB2 PRO 12 1HB PRO 12 -10.610 -3.671 -9.293 59 HB3 PRO 12 2HB PRO 12 -11.485 -5.157 -8.907 60 HG2 PRO 12 1HG PRO 12 -10.184 -3.192 -7.061 61 HG3 PRO 12 2HG PRO 12 -11.757 -3.997 -6.910 62 HD2 PRO 12 1HD PRO 12 -9.560 -4.827 -5.563 63 HD3 PRO 12 2HD PRO 12 -10.823 -5.947 -6.112 64 H TYR 13 H TYR 13 -8.354 -3.323 -7.550 65 HA TYR 13 HA TYR 13 -6.681 -2.501 -9.802 66 HB2 TYR 13 1HB TYR 13 -7.043 -1.003 -7.213 67 HB3 TYR 13 2HB TYR 13 -6.526 -0.373 -8.772 68 HD1 TYR 13 HD1 TYR 13 -8.218 -0.285 -10.658 69 HD2 TYR 13 HD2 TYR 13 -9.318 -1.027 -6.615 70 HE1 TYR 13 HE1 TYR 13 -10.539 0.335 -11.182 71 HE2 TYR 13 HE2 TYR 13 -11.643 -0.410 -7.129 72 HH TYR 13 HH TYR 13 -12.991 -0.413 -9.840 73 H LYS 14 H LYS 14 -4.484 -2.435 -9.739 74 HA LYS 14 HA LYS 14 -3.129 -3.179 -7.250 75 HB2 LYS 14 1HB LYS 14 -2.713 -4.531 -9.921 76 HB3 LYS 14 2HB LYS 14 -1.673 -4.753 -8.520 77 HG2 LYS 14 1HG LYS 14 -3.016 -6.568 -8.285 78 HG3 LYS 14 2HG LYS 14 -3.960 -5.393 -7.366 79 HD2 LYS 14 1HD LYS 14 -5.610 -6.222 -8.705 80 HD3 LYS 14 2HD LYS 14 -5.015 -4.934 -9.756 81 HE2 LYS 14 1HE LYS 14 -5.089 -6.732 -11.201 82 HE3 LYS 14 2HE LYS 14 -3.413 -6.774 -10.656 83 HZ1 LYS 14 3HZ LYS 14 -5.173 -8.287 -8.974 84 HZ2 LYS 14 1HZ LYS 14 -3.714 -8.745 -9.698 85 HZ3 LYS 14 2HZ LYS 14 -5.160 -8.850 -10.569 86 H CYS 15 H CYS 15 -1.221 -2.159 -6.921 87 HA CYS 15 HA CYS 15 -0.575 0.095 -8.501 88 HB2 CYS 15 1HB CYS 15 -0.117 -0.170 -6.039 89 HB3 CYS 15 2HB CYS 15 1.204 -1.254 -6.464 90 H VAL 16 H VAL 16 1.403 0.520 -9.644 91 HA VAL 16 HA VAL 16 2.397 -1.867 -11.039 92 HB VAL 16 HB VAL 16 1.360 -0.068 -12.414 93 HG11 VAL 16 1HG1 VAL 16 2.289 2.060 -12.635 94 HG12 VAL 16 2HG1 VAL 16 2.346 1.759 -10.897 95 HG13 VAL 16 3HG1 VAL 16 3.805 1.581 -11.872 96 HG21 VAL 16 3HG2 VAL 16 3.923 -1.334 -12.793 97 HG22 VAL 16 1HG2 VAL 16 2.630 -1.044 -13.957 98 HG23 VAL 16 2HG2 VAL 16 3.844 0.200 -13.660 99 H GLU 17 H GLU 17 3.315 0.567 -8.830 100 HA GLU 17 HA GLU 17 6.139 0.463 -9.415 101 HB2 GLU 17 1HB GLU 17 4.499 1.773 -7.257 102 HB3 GLU 17 2HB GLU 17 6.256 1.757 -7.196 103 HG2 GLU 17 1HG GLU 17 4.853 2.750 -9.636 104 HG3 GLU 17 2HG GLU 17 5.020 3.787 -8.220 105 H CYS 18 H CYS 18 3.998 -0.717 -6.839 106 HA CYS 18 HA CYS 18 6.186 -2.453 -5.907 107 HB2 CYS 18 1HB CYS 18 4.726 -2.652 -3.820 108 HB3 CYS 18 2HB CYS 18 5.501 -1.096 -4.099 109 H GLY 19 H GLY 19 2.723 -2.382 -6.661 110 HA2 GLY 19 1HA GLY 19 1.722 -4.163 -7.928 111 HA3 GLY 19 2HA GLY 19 2.886 -5.270 -7.214 112 H LYS 20 H LYS 20 1.245 -2.905 -5.261 113 HA LYS 20 HA LYS 20 0.042 -5.035 -3.702 114 HB2 LYS 20 1HB LYS 20 0.623 -2.157 -3.309 115 HB3 LYS 20 2HB LYS 20 -0.791 -2.781 -2.470 116 HG2 LYS 20 1HG LYS 20 1.118 -2.890 -1.018 117 HG3 LYS 20 2HG LYS 20 0.620 -4.527 -1.450 118 HD2 LYS 20 1HD LYS 20 2.679 -3.206 -3.139 119 HD3 LYS 20 2HD LYS 20 3.159 -3.760 -1.533 120 HE2 LYS 20 1HE LYS 20 2.063 -5.983 -2.187 121 HE3 LYS 20 2HE LYS 20 2.098 -5.366 -3.838 122 HZ1 LYS 20 3HZ LYS 20 4.237 -5.867 -4.000 123 HZ2 LYS 20 1HZ LYS 20 4.138 -6.647 -2.501 124 HZ3 LYS 20 2HZ LYS 20 4.618 -5.027 -2.581 125 H GLY 21 H GLY 21 -2.190 -5.152 -3.184 126 HA2 GLY 21 1HA GLY 21 -3.895 -4.144 -5.353 127 HA3 GLY 21 2HA GLY 21 -4.271 -5.497 -4.295 128 H TYR 22 H TYR 22 -5.523 -2.749 -5.042 129 HA TYR 22 HA TYR 22 -6.144 -1.976 -2.266 130 HB2 TYR 22 1HB TYR 22 -5.895 -0.244 -4.727 131 HB3 TYR 22 2HB TYR 22 -6.650 0.309 -3.236 132 HD1 TYR 22 HD2 TYR 22 -3.468 -1.215 -4.459 133 HD2 TYR 22 HD1 TYR 22 -5.341 1.376 -1.652 134 HE1 TYR 22 HE2 TYR 22 -1.260 -0.572 -3.587 135 HE2 TYR 22 HE1 TYR 22 -3.138 2.027 -0.773 136 HH TYR 22 HH TYR 22 -0.144 0.732 -2.179 137 H LYS 23 H LYS 23 -8.186 -2.257 -1.683 138 HA LYS 23 HA LYS 23 -10.145 -3.419 -3.231 139 HB2 LYS 23 1HB LYS 23 -10.015 -2.972 -0.659 140 HB3 LYS 23 2HB LYS 23 -10.904 -1.506 -1.050 141 HG2 LYS 23 1HG LYS 23 -12.526 -3.101 -2.278 142 HG3 LYS 23 2HG LYS 23 -11.762 -4.357 -1.300 143 HD2 LYS 23 1HD LYS 23 -13.481 -3.763 0.090 144 HD3 LYS 23 2HD LYS 23 -12.239 -2.640 0.649 145 HE2 LYS 23 1HE LYS 23 -14.353 -1.998 -1.404 146 HE3 LYS 23 2HE LYS 23 -14.446 -1.571 0.304 147 HZ1 LYS 23 3HZ LYS 23 -13.630 0.326 -0.754 148 HZ2 LYS 23 1HZ LYS 23 -12.570 -0.550 -1.741 149 HZ3 LYS 23 2HZ LYS 23 -12.250 -0.390 -0.087 150 H ARG 24 H ARG 24 -9.474 0.008 -2.743 151 HA ARG 24 HA ARG 24 -11.471 0.624 -4.821 152 HB2 ARG 24 1HB ARG 24 -12.150 1.582 -2.705 153 HB3 ARG 24 2HB ARG 24 -10.564 2.308 -2.483 154 HG2 ARG 24 1HG ARG 24 -10.928 3.861 -4.230 155 HG3 ARG 24 2HG ARG 24 -12.371 3.006 -4.779 156 HD2 ARG 24 1HD ARG 24 -12.171 4.188 -2.025 157 HD3 ARG 24 2HD ARG 24 -12.703 5.141 -3.410 158 HE ARG 24 HE ARG 24 -14.180 3.070 -2.050 159 HH11 ARG 24 1HH1 ARG 24 -13.836 4.933 -4.970 160 HH12 ARG 24 2HH1 ARG 24 -15.477 4.693 -5.472 161 HH21 ARG 24 1HH2 ARG 24 -16.342 2.746 -2.699 162 HH22 ARG 24 2HH2 ARG 24 -16.902 3.449 -4.179 163 H ARG 25 H ARG 25 -10.896 1.992 -6.480 164 HA ARG 25 HA ARG 25 -8.155 2.069 -7.190 165 HB2 ARG 25 1HB ARG 25 -9.840 1.966 -8.912 166 HB3 ARG 25 2HB ARG 25 -10.562 3.471 -8.358 167 HG2 ARG 25 1HG ARG 25 -9.368 4.171 -10.188 168 HG3 ARG 25 2HG ARG 25 -8.220 4.473 -8.883 169 HD2 ARG 25 1HD ARG 25 -7.501 1.983 -9.455 170 HD3 ARG 25 2HD ARG 25 -8.175 2.416 -11.025 171 HE ARG 25 HE ARG 25 -6.338 4.368 -10.006 172 HH11 ARG 25 1HH1 ARG 25 -6.629 1.368 -11.748 173 HH12 ARG 25 2HH1 ARG 25 -5.125 1.559 -12.587 174 HH21 ARG 25 1HH2 ARG 25 -4.357 4.631 -11.104 175 HH22 ARG 25 2HH2 ARG 25 -3.833 3.415 -12.220 176 H LEU 26 H LEU 26 -10.397 4.500 -5.938 177 HA LEU 26 HA LEU 26 -8.827 6.769 -6.193 178 HB2 LEU 26 1HB LEU 26 -11.243 6.519 -5.376 179 HB3 LEU 26 2HB LEU 26 -10.539 6.247 -3.784 180 HG LEU 26 HG LEU 26 -11.192 8.520 -3.868 181 HD11 LEU 26 1HD1 LEU 26 -9.219 9.582 -3.286 182 HD12 LEU 26 2HD1 LEU 26 -8.277 8.726 -4.506 183 HD13 LEU 26 3HD1 LEU 26 -8.822 7.879 -3.058 184 HD21 LEU 26 3HD2 LEU 26 -11.505 9.357 -5.921 185 HD22 LEU 26 1HD2 LEU 26 -10.262 8.329 -6.634 186 HD23 LEU 26 2HD2 LEU 26 -9.807 9.828 -5.824 187 H ASP 27 H ASP 27 -8.821 4.311 -3.656 188 HA ASP 27 HA ASP 27 -7.036 5.593 -1.901 189 HB2 ASP 27 1HB ASP 27 -7.938 2.774 -2.312 190 HB3 ASP 27 2HB ASP 27 -6.539 3.068 -1.281 191 H LEU 28 H LEU 28 -6.425 3.093 -4.367 192 HA LEU 28 HA LEU 28 -3.640 3.013 -4.053 193 HB2 LEU 28 1HB LEU 28 -4.639 1.234 -5.210 194 HB3 LEU 28 2HB LEU 28 -5.472 2.316 -6.324 195 HG LEU 28 HG LEU 28 -2.949 2.895 -6.990 196 HD11 LEU 28 1HD1 LEU 28 -2.235 1.156 -5.225 197 HD12 LEU 28 2HD1 LEU 28 -1.460 1.126 -6.808 198 HD13 LEU 28 3HD1 LEU 28 -2.729 -0.037 -6.426 199 HD21 LEU 28 3HD2 LEU 28 -3.248 0.890 -8.660 200 HD22 LEU 28 1HD2 LEU 28 -4.318 2.290 -8.726 201 HD23 LEU 28 2HD2 LEU 28 -4.854 0.808 -7.935 202 H ASP 29 H ASP 29 -5.598 4.739 -6.479 203 HA ASP 29 HA ASP 29 -3.692 5.986 -7.951 204 HB2 ASP 29 1HB ASP 29 -6.161 6.235 -8.245 205 HB3 ASP 29 2HB ASP 29 -6.165 7.377 -6.905 206 H PHE 30 H PHE 30 -4.705 6.839 -4.692 207 HA PHE 30 HA PHE 30 -3.035 9.193 -4.610 208 HB2 PHE 30 1HB PHE 30 -5.281 8.640 -3.310 209 HB3 PHE 30 2HB PHE 30 -4.158 7.968 -2.131 210 HD1 PHE 30 HD1 PHE 30 -2.135 9.562 -1.532 211 HD2 PHE 30 HD2 PHE 30 -5.873 10.846 -3.110 212 HE1 PHE 30 HE1 PHE 30 -1.743 11.813 -0.619 213 HE2 PHE 30 HE2 PHE 30 -5.487 13.099 -2.201 214 HZ PHE 30 HZ PHE 30 -3.420 13.586 -0.955 215 H HIS 31 H HIS 31 -2.776 5.839 -3.798 216 HA HIS 31 HA HIS 31 -0.658 5.998 -1.935 217 HB2 HIS 31 1HB HIS 31 -1.641 3.919 -1.890 218 HB3 HIS 31 2HB HIS 31 -1.840 3.855 -3.638 219 HD1 HIS 31 HD1 HIS 31 0.852 3.459 -1.006 220 HD2 HIS 31 HD2 HIS 31 0.089 2.445 -4.962 221 HE1 HIS 31 HE1 HIS 31 2.725 1.921 -1.679 222 H GLN 32 H GLN 32 -0.710 5.581 -5.455 223 HA GLN 32 HA GLN 32 1.933 5.108 -5.985 224 HB2 GLN 32 1HB GLN 32 -0.073 6.782 -7.489 225 HB3 GLN 32 2HB GLN 32 1.534 6.447 -8.119 226 HG2 GLN 32 1HG GLN 32 1.102 4.141 -8.286 227 HG3 GLN 32 2HG GLN 32 -0.352 4.264 -7.297 228 HE21 GLN 32 1HE2 GLN 32 -1.823 3.499 -8.709 229 HE22 GLN 32 2HE2 GLN 32 -2.200 4.241 -10.223 230 H ARG 33 H ARG 33 0.553 7.940 -4.637 231 HA ARG 33 HA ARG 33 2.303 9.939 -5.416 232 HB2 ARG 33 1HB ARG 33 1.040 9.542 -2.697 233 HB3 ARG 33 2HB ARG 33 1.742 11.044 -3.283 234 HG2 ARG 33 1HG ARG 33 -0.396 9.782 -4.908 235 HG3 ARG 33 2HG ARG 33 -0.850 10.576 -3.399 236 HD2 ARG 33 1HD ARG 33 -1.034 12.182 -5.157 237 HD3 ARG 33 2HD ARG 33 0.376 12.602 -4.185 238 HE ARG 33 HE ARG 33 1.708 12.203 -6.004 239 HH11 ARG 33 1HH1 ARG 33 -1.445 10.839 -6.570 240 HH12 ARG 33 2HH1 ARG 33 -1.126 10.460 -8.231 241 HH21 ARG 33 1HH2 ARG 33 2.139 11.709 -8.189 242 HH22 ARG 33 2HH2 ARG 33 0.913 10.955 -9.150 243 H VAL 34 H VAL 34 2.662 7.535 -2.844 244 HA VAL 34 HA VAL 34 5.068 8.528 -1.766 245 HB VAL 34 HB VAL 34 5.341 6.355 -0.721 246 HG11 VAL 34 1HG1 VAL 34 3.783 7.727 0.397 247 HG12 VAL 34 2HG1 VAL 34 2.529 7.417 -0.805 248 HG13 VAL 34 3HG1 VAL 34 3.029 6.136 0.299 249 HG21 VAL 34 3HG2 VAL 34 2.939 5.154 -1.915 250 HG22 VAL 34 1HG2 VAL 34 4.320 5.304 -3.003 251 HG23 VAL 34 2HG2 VAL 34 4.484 4.419 -1.486 252 H HIS 35 H HIS 35 4.388 6.761 -4.641 253 HA HIS 35 HA HIS 35 7.108 5.806 -4.967 254 HB2 HIS 35 1HB HIS 35 4.640 5.636 -6.695 255 HB3 HIS 35 2HB HIS 35 6.214 5.050 -7.225 256 HD1 HIS 35 HD1 HIS 35 7.287 3.388 -5.116 257 HD2 HIS 35 HD2 HIS 35 3.188 3.569 -5.772 258 HE1 HIS 35 HE1 HIS 35 6.349 1.291 -4.092 259 H THR 36 H THR 36 5.053 8.388 -6.142 260 HA THR 36 HA THR 36 6.922 9.254 -8.156 261 HB THR 36 HB THR 36 5.393 11.296 -8.238 262 HG1 THR 36 HG1 THR 36 4.544 10.871 -6.059 263 HG21 THR 36 3HG2 THR 36 3.891 10.214 -9.642 264 HG22 THR 36 1HG2 THR 36 3.833 8.769 -8.633 265 HG23 THR 36 2HG2 THR 36 5.258 9.099 -9.619 266 H GLY 37 H GLY 37 6.075 10.171 -4.863 267 HA2 GLY 37 1HA GLY 37 7.014 11.683 -3.405 268 HA3 GLY 37 2HA GLY 37 8.527 11.204 -4.160 269 H GLU 38 H GLU 38 9.666 12.765 -5.088 270 HA GLU 38 HA GLU 38 8.241 15.189 -5.972 271 HB2 GLU 38 1HB GLU 38 9.644 15.440 -3.877 272 HB3 GLU 38 2HB GLU 38 11.054 15.130 -4.881 273 HG2 GLU 38 1HG GLU 38 10.690 17.105 -6.148 274 HG3 GLU 38 2HG GLU 38 9.106 17.355 -5.415 275 H LYS 39 H LYS 39 8.135 14.211 -8.079 276 HA LYS 39 HA LYS 39 10.385 14.922 -9.712 277 HB2 LYS 39 1HB LYS 39 10.684 12.467 -8.762 278 HB3 LYS 39 2HB LYS 39 9.561 12.073 -10.058 279 HG2 LYS 39 1HG LYS 39 11.550 11.782 -11.132 280 HG3 LYS 39 2HG LYS 39 11.240 13.479 -11.506 281 HD2 LYS 39 1HD LYS 39 13.511 13.323 -10.818 282 HD3 LYS 39 2HD LYS 39 12.621 14.066 -9.487 283 HE2 LYS 39 1HE LYS 39 12.596 12.011 -8.267 284 HE3 LYS 39 2HE LYS 39 13.243 11.122 -9.646 285 HZ1 LYS 39 3HZ LYS 39 15.331 11.830 -9.237 286 HZ2 LYS 39 1HZ LYS 39 14.750 11.997 -7.656 287 HZ3 LYS 39 2HZ LYS 39 14.845 13.348 -8.670 288 H LEU 40 H LEU 40 9.903 14.790 -12.004 289 HA LEU 40 HA LEU 40 7.006 14.876 -12.501 290 HB2 LEU 40 1HB LEU 40 9.334 16.340 -13.649 291 HB3 LEU 40 2HB LEU 40 7.900 16.100 -14.645 292 HG LEU 40 HG LEU 40 6.657 17.152 -12.601 293 HD11 LEU 40 1HD1 LEU 40 8.184 18.953 -11.619 294 HD12 LEU 40 2HD1 LEU 40 9.518 17.928 -12.147 295 HD13 LEU 40 3HD1 LEU 40 8.339 17.313 -10.989 296 HD21 LEU 40 3HD2 LEU 40 6.516 18.298 -14.608 297 HD22 LEU 40 1HD2 LEU 40 8.261 18.524 -14.721 298 HD23 LEU 40 2HD2 LEU 40 7.323 19.465 -13.560 299 H SER 41 H SER 41 6.878 12.588 -12.789 300 HA SER 41 HA SER 41 7.906 11.710 -15.406 301 HB2 SER 41 1HB SER 41 7.882 10.257 -12.777 302 HB3 SER 41 2HB SER 41 7.826 9.353 -14.290 303 HG SER 41 HG SER 41 9.772 10.358 -14.891 304 H GLY 42 H GLY 42 6.315 11.325 -16.787 305 HA2 GLY 42 1HA GLY 42 4.303 9.612 -16.780 306 HA3 GLY 42 2HA GLY 42 3.612 10.874 -15.772 307 HA PRO 43 HA PRO 43 4.248 12.907 -20.108 308 HB2 PRO 43 1HB PRO 43 5.089 11.286 -22.117 309 HB3 PRO 43 2HB PRO 43 6.202 12.183 -21.076 310 HG2 PRO 43 1HG PRO 43 5.364 9.312 -20.926 311 HG3 PRO 43 2HG PRO 43 6.980 10.018 -20.732 312 HD2 PRO 43 1HD PRO 43 5.450 9.281 -18.623 313 HD3 PRO 43 2HD PRO 43 6.581 10.648 -18.551 314 H SER 44 H SER 44 2.785 13.038 -21.869 315 HA SER 44 HA SER 44 0.550 11.185 -21.635 316 HB2 SER 44 1HB SER 44 -0.769 12.832 -22.703 317 HB3 SER 44 2HB SER 44 0.320 13.740 -21.655 318 HG SER 44 HG SER 44 1.630 14.133 -23.482 319 H SER 45 H SER 45 2.782 10.030 -22.807 320 HA SER 45 HA SER 45 2.192 9.977 -25.680 321 HB2 SER 45 1HB SER 45 4.552 8.900 -24.120 322 HB3 SER 45 2HB SER 45 4.345 8.730 -25.863 323 HG SER 45 HG SER 45 4.268 11.065 -25.934 324 H GLY 46 H GLY 46 1.288 8.254 -26.643 325 HA2 GLY 46 1HA GLY 46 0.366 6.083 -24.944 326 HA3 GLY 46 2HA GLY 46 -0.114 6.383 -26.607 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -0.338 -19.432 9.911 2 HA2 GLY 1 1HA GLY 1 -1.782 -18.813 12.237 3 HA3 GLY 1 2HA GLY 1 -0.365 -17.775 12.181 4 H SER 2 H SER 2 -3.386 -18.603 10.630 5 HA SER 2 HA SER 2 -3.119 -16.425 8.715 6 HB2 SER 2 1HB SER 2 -5.391 -18.382 9.132 7 HB3 SER 2 2HB SER 2 -5.242 -17.242 7.795 8 HG SER 2 HG SER 2 -3.389 -18.350 7.124 9 H SER 3 H SER 3 -4.236 -14.537 8.777 10 HA SER 3 HA SER 3 -5.155 -13.580 11.262 11 HB2 SER 3 1HB SER 3 -5.111 -12.536 8.468 12 HB3 SER 3 2HB SER 3 -6.162 -11.730 9.631 13 HG SER 3 HG SER 3 -4.468 -10.974 10.652 14 H GLY 4 H GLY 4 -6.952 -14.364 8.281 15 HA2 GLY 4 1HA GLY 4 -9.002 -15.732 8.643 16 HA3 GLY 4 2HA GLY 4 -9.374 -14.625 9.956 17 H SER 5 H SER 5 -9.067 -14.921 6.462 18 HA SER 5 HA SER 5 -9.925 -12.332 5.783 19 HB2 SER 5 1HB SER 5 -10.143 -13.131 3.568 20 HB3 SER 5 2HB SER 5 -8.857 -14.112 4.271 21 HG SER 5 HG SER 5 -10.816 -15.545 4.817 22 H SER 6 H SER 6 -11.887 -11.410 5.584 23 HA SER 6 HA SER 6 -14.202 -13.020 6.410 24 HB2 SER 6 1HB SER 6 -13.870 -10.010 6.405 25 HB3 SER 6 2HB SER 6 -15.258 -10.899 7.032 26 HG SER 6 HG SER 6 -14.074 -10.638 8.804 27 H GLY 7 H GLY 7 -13.209 -10.544 4.063 28 HA2 GLY 7 1HA GLY 7 -15.604 -11.155 2.469 29 HA3 GLY 7 2HA GLY 7 -14.593 -9.729 2.290 30 H SER 8 H SER 8 -13.458 -9.717 0.481 31 HA SER 8 HA SER 8 -12.780 -12.276 -0.782 32 HB2 SER 8 1HB SER 8 -14.050 -10.375 -1.997 33 HB3 SER 8 2HB SER 8 -12.479 -9.580 -2.087 34 HG SER 8 HG SER 8 -13.012 -12.203 -3.029 35 H GLY 9 H GLY 9 -10.674 -12.633 -1.646 36 HA2 GLY 9 1HA GLY 9 -8.592 -11.537 0.046 37 HA3 GLY 9 2HA GLY 9 -8.412 -12.834 -1.127 38 H GLU 10 H GLU 10 -8.093 -12.306 -3.338 39 HA GLU 10 HA GLU 10 -6.263 -10.360 -3.890 40 HB2 GLU 10 1HB GLU 10 -6.733 -10.682 -6.227 41 HB3 GLU 10 2HB GLU 10 -6.898 -12.229 -5.408 42 HG2 GLU 10 1HG GLU 10 -8.704 -12.141 -6.874 43 HG3 GLU 10 2HG GLU 10 -9.389 -11.726 -5.304 44 H LYS 11 H LYS 11 -6.586 -8.497 -5.501 45 HA LYS 11 HA LYS 11 -8.990 -6.953 -4.796 46 HB2 LYS 11 1HB LYS 11 -6.147 -5.931 -4.904 47 HB3 LYS 11 2HB LYS 11 -7.570 -4.918 -4.706 48 HG2 LYS 11 1HG LYS 11 -6.898 -7.133 -2.796 49 HG3 LYS 11 2HG LYS 11 -6.272 -5.493 -2.611 50 HD2 LYS 11 1HD LYS 11 -8.810 -4.848 -2.875 51 HD3 LYS 11 2HD LYS 11 -9.062 -6.510 -2.337 52 HE2 LYS 11 1HE LYS 11 -7.266 -4.610 -0.857 53 HE3 LYS 11 2HE LYS 11 -9.001 -4.684 -0.550 54 HZ1 LYS 11 3HZ LYS 11 -7.978 -7.293 -0.531 55 HZ2 LYS 11 1HZ LYS 11 -8.664 -6.426 0.749 56 HZ3 LYS 11 2HZ LYS 11 -6.998 -6.343 0.468 57 HA PRO 12 HA PRO 12 -9.435 -6.153 -9.091 58 HB2 PRO 12 1HB PRO 12 -10.607 -3.704 -9.038 59 HB3 PRO 12 2HB PRO 12 -11.454 -5.185 -8.575 60 HG2 PRO 12 1HG PRO 12 -10.167 -3.116 -6.836 61 HG3 PRO 12 2HG PRO 12 -11.724 -3.938 -6.631 62 HD2 PRO 12 1HD PRO 12 -9.501 -4.670 -5.270 63 HD3 PRO 12 2HD PRO 12 -10.751 -5.834 -5.753 64 H TYR 13 H TYR 13 -8.316 -3.260 -7.321 65 HA TYR 13 HA TYR 13 -6.662 -2.536 -9.628 66 HB2 TYR 13 1HB TYR 13 -7.166 -0.890 -7.147 67 HB3 TYR 13 2HB TYR 13 -6.522 -0.338 -8.689 68 HD1 TYR 13 HD1 TYR 13 -8.017 -0.156 -10.659 69 HD2 TYR 13 HD2 TYR 13 -9.518 -1.097 -6.791 70 HE1 TYR 13 HE1 TYR 13 -10.288 0.424 -11.406 71 HE2 TYR 13 HE2 TYR 13 -11.793 -0.521 -7.527 72 HH TYR 13 HH TYR 13 -13.055 -0.391 -9.675 73 H LYS 14 H LYS 14 -4.474 -2.464 -9.559 74 HA LYS 14 HA LYS 14 -3.131 -2.974 -7.002 75 HB2 LYS 14 1HB LYS 14 -2.599 -4.500 -9.559 76 HB3 LYS 14 2HB LYS 14 -1.659 -4.637 -8.078 77 HG2 LYS 14 1HG LYS 14 -3.017 -6.430 -7.809 78 HG3 LYS 14 2HG LYS 14 -4.039 -5.201 -7.061 79 HD2 LYS 14 1HD LYS 14 -5.583 -6.084 -8.470 80 HD3 LYS 14 2HD LYS 14 -4.849 -4.941 -9.597 81 HE2 LYS 14 1HE LYS 14 -3.613 -7.627 -9.383 82 HE3 LYS 14 2HE LYS 14 -5.186 -7.525 -10.172 83 HZ1 LYS 14 3HZ LYS 14 -4.355 -6.231 -11.862 84 HZ2 LYS 14 1HZ LYS 14 -3.040 -7.252 -11.560 85 HZ3 LYS 14 2HZ LYS 14 -3.040 -5.672 -10.956 86 H CYS 15 H CYS 15 -1.059 -2.132 -6.828 87 HA CYS 15 HA CYS 15 -0.497 0.144 -8.418 88 HB2 CYS 15 1HB CYS 15 0.149 -0.212 -5.992 89 HB3 CYS 15 2HB CYS 15 1.439 -1.259 -6.574 90 H VAL 16 H VAL 16 1.480 0.535 -9.636 91 HA VAL 16 HA VAL 16 2.267 -1.849 -11.168 92 HB VAL 16 HB VAL 16 1.186 0.042 -12.408 93 HG11 VAL 16 1HG1 VAL 16 2.082 2.134 -12.547 94 HG12 VAL 16 2HG1 VAL 16 2.614 1.708 -10.918 95 HG13 VAL 16 3HG1 VAL 16 3.730 1.568 -12.277 96 HG21 VAL 16 3HG2 VAL 16 2.566 -1.569 -13.577 97 HG22 VAL 16 1HG2 VAL 16 2.824 0.040 -14.252 98 HG23 VAL 16 2HG2 VAL 16 4.021 -0.663 -13.164 99 H GLU 17 H GLU 17 3.408 0.453 -8.945 100 HA GLU 17 HA GLU 17 6.183 0.303 -9.746 101 HB2 GLU 17 1HB GLU 17 4.864 1.510 -7.309 102 HB3 GLU 17 2HB GLU 17 6.580 1.625 -7.671 103 HG2 GLU 17 1HG GLU 17 4.329 2.736 -9.331 104 HG3 GLU 17 2HG GLU 17 5.433 3.655 -8.309 105 H CYS 18 H CYS 18 4.233 -0.821 -6.991 106 HA CYS 18 HA CYS 18 6.402 -2.691 -6.311 107 HB2 CYS 18 1HB CYS 18 5.278 -2.830 -4.076 108 HB3 CYS 18 2HB CYS 18 5.903 -1.231 -4.466 109 H GLY 19 H GLY 19 2.927 -2.412 -6.859 110 HA2 GLY 19 1HA GLY 19 1.781 -4.167 -8.056 111 HA3 GLY 19 2HA GLY 19 2.860 -5.326 -7.295 112 H LYS 20 H LYS 20 1.553 -2.787 -5.356 113 HA LYS 20 HA LYS 20 0.370 -4.578 -3.526 114 HB2 LYS 20 1HB LYS 20 0.402 -1.615 -3.880 115 HB3 LYS 20 2HB LYS 20 -0.791 -2.309 -2.789 116 HG2 LYS 20 1HG LYS 20 2.141 -2.921 -2.575 117 HG3 LYS 20 2HG LYS 20 1.387 -1.551 -1.757 118 HD2 LYS 20 1HD LYS 20 0.232 -2.882 -0.298 119 HD3 LYS 20 2HD LYS 20 0.144 -4.233 -1.432 120 HE2 LYS 20 1HE LYS 20 2.481 -4.742 -1.053 121 HE3 LYS 20 2HE LYS 20 2.644 -3.335 -0.003 122 HZ1 LYS 20 3HZ LYS 20 0.672 -5.436 0.616 123 HZ2 LYS 20 1HZ LYS 20 1.407 -4.325 1.659 124 HZ3 LYS 20 2HZ LYS 20 2.294 -5.632 1.053 125 H GLY 21 H GLY 21 -2.057 -3.792 -2.798 126 HA2 GLY 21 1HA GLY 21 -3.774 -3.796 -5.177 127 HA3 GLY 21 2HA GLY 21 -3.939 -5.117 -4.030 128 H TYR 22 H TYR 22 -5.587 -2.637 -4.948 129 HA TYR 22 HA TYR 22 -6.470 -1.948 -2.230 130 HB2 TYR 22 1HB TYR 22 -5.996 -0.060 -4.536 131 HB3 TYR 22 2HB TYR 22 -6.999 0.365 -3.153 132 HD1 TYR 22 HD2 TYR 22 -3.565 -0.541 -4.186 133 HD2 TYR 22 HD1 TYR 22 -6.027 1.042 -1.099 134 HE1 TYR 22 HE2 TYR 22 -1.556 0.172 -2.959 135 HE2 TYR 22 HE1 TYR 22 -4.026 1.761 0.137 136 HH TYR 22 HH TYR 22 -1.577 1.057 0.244 137 H LYS 23 H LYS 23 -8.591 -2.174 -1.906 138 HA LYS 23 HA LYS 23 -10.280 -3.419 -3.712 139 HB2 LYS 23 1HB LYS 23 -12.133 -2.659 -2.208 140 HB3 LYS 23 2HB LYS 23 -10.802 -3.451 -1.375 141 HG2 LYS 23 1HG LYS 23 -9.963 -0.952 -1.120 142 HG3 LYS 23 2HG LYS 23 -11.690 -0.624 -1.284 143 HD2 LYS 23 1HD LYS 23 -10.802 -2.754 0.603 144 HD3 LYS 23 2HD LYS 23 -10.607 -1.064 1.075 145 HE2 LYS 23 1HE LYS 23 -13.229 -1.933 -0.031 146 HE3 LYS 23 2HE LYS 23 -12.816 -2.415 1.614 147 HZ1 LYS 23 3HZ LYS 23 -13.413 -0.410 2.290 148 HZ2 LYS 23 1HZ LYS 23 -13.743 0.074 0.703 149 HZ3 LYS 23 2HZ LYS 23 -12.194 0.287 1.347 150 H ARG 24 H ARG 24 -9.952 0.036 -2.991 151 HA ARG 24 HA ARG 24 -11.626 0.609 -5.348 152 HB2 ARG 24 1HB ARG 24 -12.622 1.468 -3.307 153 HB3 ARG 24 2HB ARG 24 -11.123 2.285 -2.884 154 HG2 ARG 24 1HG ARG 24 -11.357 3.759 -4.797 155 HG3 ARG 24 2HG ARG 24 -12.827 2.913 -5.286 156 HD2 ARG 24 1HD ARG 24 -12.654 4.059 -2.538 157 HD3 ARG 24 2HD ARG 24 -12.948 5.140 -3.900 158 HE ARG 24 HE ARG 24 -15.046 4.199 -4.173 159 HH11 ARG 24 1HH1 ARG 24 -13.217 2.444 -1.786 160 HH12 ARG 24 2HH1 ARG 24 -14.585 1.553 -1.205 161 HH21 ARG 24 1HH2 ARG 24 -16.854 3.033 -3.415 162 HH22 ARG 24 2HH2 ARG 24 -16.652 1.888 -2.132 163 H ARG 25 H ARG 25 -10.752 1.693 -7.006 164 HA ARG 25 HA ARG 25 -8.036 1.987 -7.358 165 HB2 ARG 25 1HB ARG 25 -9.438 2.041 -9.274 166 HB3 ARG 25 2HB ARG 25 -10.354 3.408 -8.656 167 HG2 ARG 25 1HG ARG 25 -8.693 4.929 -9.181 168 HG3 ARG 25 2HG ARG 25 -7.436 3.691 -9.225 169 HD2 ARG 25 1HD ARG 25 -7.711 4.013 -11.464 170 HD3 ARG 25 2HD ARG 25 -8.930 2.766 -11.204 171 HE ARG 25 HE ARG 25 -9.388 5.549 -11.844 172 HH11 ARG 25 1HH1 ARG 25 -10.739 2.577 -10.635 173 HH12 ARG 25 2HH1 ARG 25 -12.374 3.022 -10.992 174 HH21 ARG 25 1HH2 ARG 25 -11.538 6.147 -12.319 175 HH22 ARG 25 2HH2 ARG 25 -12.828 5.053 -11.951 176 H LEU 26 H LEU 26 -10.364 4.538 -6.481 177 HA LEU 26 HA LEU 26 -8.809 6.739 -6.336 178 HB2 LEU 26 1HB LEU 26 -11.254 6.424 -5.658 179 HB3 LEU 26 2HB LEU 26 -10.631 6.033 -4.056 180 HG LEU 26 HG LEU 26 -11.337 8.320 -4.068 181 HD11 LEU 26 1HD1 LEU 26 -9.108 7.599 -2.997 182 HD12 LEU 26 2HD1 LEU 26 -9.441 9.321 -3.177 183 HD13 LEU 26 3HD1 LEU 26 -8.358 8.510 -4.308 184 HD21 LEU 26 3HD2 LEU 26 -10.434 8.286 -6.737 185 HD22 LEU 26 1HD2 LEU 26 -9.475 9.499 -5.888 186 HD23 LEU 26 2HD2 LEU 26 -11.235 9.601 -5.876 187 H ASP 27 H ASP 27 -9.000 4.227 -3.834 188 HA ASP 27 HA ASP 27 -7.281 5.380 -1.970 189 HB2 ASP 27 1HB ASP 27 -7.693 2.445 -2.583 190 HB3 ASP 27 2HB ASP 27 -6.943 3.083 -1.123 191 H LEU 28 H LEU 28 -6.497 2.977 -4.487 192 HA LEU 28 HA LEU 28 -3.743 2.906 -4.045 193 HB2 LEU 28 1HB LEU 28 -4.653 1.206 -5.374 194 HB3 LEU 28 2HB LEU 28 -5.444 2.354 -6.452 195 HG LEU 28 HG LEU 28 -2.909 3.003 -6.965 196 HD11 LEU 28 1HD1 LEU 28 -2.156 1.258 -5.291 197 HD12 LEU 28 2HD1 LEU 28 -1.423 1.178 -6.893 198 HD13 LEU 28 3HD1 LEU 28 -2.704 0.049 -6.453 199 HD21 LEU 28 3HD2 LEU 28 -4.155 2.474 -8.807 200 HD22 LEU 28 1HD2 LEU 28 -4.739 0.960 -8.116 201 HD23 LEU 28 2HD2 LEU 28 -3.095 1.065 -8.746 202 H ASP 29 H ASP 29 -5.626 4.891 -6.312 203 HA ASP 29 HA ASP 29 -3.660 6.204 -7.667 204 HB2 ASP 29 1HB ASP 29 -6.123 6.524 -7.971 205 HB3 ASP 29 2HB ASP 29 -6.120 7.555 -6.543 206 H PHE 30 H PHE 30 -4.705 6.774 -4.359 207 HA PHE 30 HA PHE 30 -3.053 9.107 -4.027 208 HB2 PHE 30 1HB PHE 30 -5.253 8.442 -2.770 209 HB3 PHE 30 2HB PHE 30 -4.162 7.533 -1.729 210 HD1 PHE 30 HD1 PHE 30 -2.147 8.859 -0.763 211 HD2 PHE 30 HD2 PHE 30 -5.676 10.662 -2.316 212 HE1 PHE 30 HE1 PHE 30 -1.660 10.906 0.514 213 HE2 PHE 30 HE2 PHE 30 -5.195 12.711 -1.043 214 HZ PHE 30 HZ PHE 30 -3.184 12.835 0.374 215 H HIS 31 H HIS 31 -2.697 5.692 -3.641 216 HA HIS 31 HA HIS 31 -0.498 5.741 -1.831 217 HB2 HIS 31 1HB HIS 31 -1.491 3.666 -1.835 218 HB3 HIS 31 2HB HIS 31 -1.792 3.693 -3.570 219 HD1 HIS 31 HD1 HIS 31 0.955 3.014 -1.080 220 HD2 HIS 31 HD2 HIS 31 0.142 2.490 -5.121 221 HE1 HIS 31 HE1 HIS 31 2.800 1.545 -1.952 222 H GLN 32 H GLN 32 -0.760 5.465 -5.360 223 HA GLN 32 HA GLN 32 1.847 5.035 -6.063 224 HB2 GLN 32 1HB GLN 32 -0.292 6.700 -7.366 225 HB3 GLN 32 2HB GLN 32 1.297 6.517 -8.098 226 HG2 GLN 32 1HG GLN 32 1.001 4.237 -8.465 227 HG3 GLN 32 2HG GLN 32 -0.326 4.130 -7.309 228 HE21 GLN 32 1HE2 GLN 32 -1.905 3.359 -8.587 229 HE22 GLN 32 2HE2 GLN 32 -2.523 4.173 -9.980 230 H ARG 33 H ARG 33 0.490 7.866 -4.631 231 HA ARG 33 HA ARG 33 2.275 9.841 -5.413 232 HB2 ARG 33 1HB ARG 33 0.819 9.419 -2.804 233 HB3 ARG 33 2HB ARG 33 1.768 10.860 -3.143 234 HG2 ARG 33 1HG ARG 33 0.334 11.400 -5.018 235 HG3 ARG 33 2HG ARG 33 -0.587 9.916 -4.764 236 HD2 ARG 33 1HD ARG 33 -1.802 11.755 -3.808 237 HD3 ARG 33 2HD ARG 33 -1.192 10.737 -2.505 238 HE ARG 33 HE ARG 33 0.727 12.628 -2.767 239 HH11 ARG 33 1HH1 ARG 33 -2.728 12.757 -2.356 240 HH12 ARG 33 2HH1 ARG 33 -2.701 14.264 -1.502 241 HH21 ARG 33 1HH2 ARG 33 0.775 14.613 -1.645 242 HH22 ARG 33 2HH2 ARG 33 -0.708 15.320 -1.099 243 H VAL 34 H VAL 34 2.587 7.393 -2.889 244 HA VAL 34 HA VAL 34 4.949 8.347 -1.707 245 HB VAL 34 HB VAL 34 5.251 6.083 -0.827 246 HG11 VAL 34 1HG1 VAL 34 3.591 7.644 0.171 247 HG12 VAL 34 2HG1 VAL 34 2.337 6.851 -0.785 248 HG13 VAL 34 3HG1 VAL 34 3.220 5.941 0.441 249 HG21 VAL 34 3HG2 VAL 34 2.960 4.731 -1.711 250 HG22 VAL 34 1HG2 VAL 34 3.731 5.376 -3.160 251 HG23 VAL 34 2HG2 VAL 34 4.643 4.338 -2.064 252 H HIS 35 H HIS 35 4.380 6.685 -4.680 253 HA HIS 35 HA HIS 35 7.127 5.821 -4.988 254 HB2 HIS 35 1HB HIS 35 4.688 5.677 -6.751 255 HB3 HIS 35 2HB HIS 35 6.285 5.216 -7.334 256 HD1 HIS 35 HD1 HIS 35 7.462 3.237 -5.873 257 HD2 HIS 35 HD2 HIS 35 3.351 3.687 -5.476 258 HE1 HIS 35 HE1 HIS 35 6.642 1.076 -4.883 259 H THR 36 H THR 36 5.148 8.526 -5.857 260 HA THR 36 HA THR 36 7.262 9.564 -7.617 261 HB THR 36 HB THR 36 5.148 9.580 -8.734 262 HG1 THR 36 HG1 THR 36 5.984 11.455 -9.341 263 HG21 THR 36 3HG2 THR 36 3.688 9.404 -6.785 264 HG22 THR 36 1HG2 THR 36 3.180 10.735 -7.824 265 HG23 THR 36 2HG2 THR 36 4.067 11.067 -6.336 266 H GLY 37 H GLY 37 8.623 10.988 -6.767 267 HA2 GLY 37 1HA GLY 37 7.953 13.335 -5.474 268 HA3 GLY 37 2HA GLY 37 8.208 12.153 -4.199 269 H GLU 38 H GLU 38 10.051 13.020 -3.338 270 HA GLU 38 HA GLU 38 12.296 13.677 -5.042 271 HB2 GLU 38 1HB GLU 38 11.919 13.732 -2.048 272 HB3 GLU 38 2HB GLU 38 13.428 14.166 -2.839 273 HG2 GLU 38 1HG GLU 38 12.302 15.968 -4.027 274 HG3 GLU 38 2HG GLU 38 10.776 15.526 -3.264 275 H LYS 39 H LYS 39 12.780 11.649 -5.964 276 HA LYS 39 HA LYS 39 13.123 9.217 -4.809 277 HB2 LYS 39 1HB LYS 39 14.497 10.616 -7.047 278 HB3 LYS 39 2HB LYS 39 15.226 9.127 -6.458 279 HG2 LYS 39 1HG LYS 39 12.350 9.344 -7.311 280 HG3 LYS 39 2HG LYS 39 13.661 8.860 -8.389 281 HD2 LYS 39 1HD LYS 39 14.189 6.997 -6.855 282 HD3 LYS 39 2HD LYS 39 12.814 7.463 -5.851 283 HE2 LYS 39 1HE LYS 39 11.404 7.196 -7.959 284 HE3 LYS 39 2HE LYS 39 12.805 6.384 -8.656 285 HZ1 LYS 39 3HZ LYS 39 12.054 4.542 -7.707 286 HZ2 LYS 39 1HZ LYS 39 10.870 5.378 -6.834 287 HZ3 LYS 39 2HZ LYS 39 12.429 5.211 -6.199 288 H LEU 40 H LEU 40 15.506 11.849 -4.830 289 HA LEU 40 HA LEU 40 17.708 10.757 -3.744 290 HB2 LEU 40 1HB LEU 40 18.214 12.852 -2.714 291 HB3 LEU 40 2HB LEU 40 17.375 13.162 -4.232 292 HG LEU 40 HG LEU 40 15.279 13.285 -2.598 293 HD11 LEU 40 1HD1 LEU 40 15.739 14.098 -0.461 294 HD12 LEU 40 2HD1 LEU 40 17.429 14.422 -0.845 295 HD13 LEU 40 3HD1 LEU 40 16.871 12.760 -0.660 296 HD21 LEU 40 3HD2 LEU 40 15.428 15.205 -3.744 297 HD22 LEU 40 1HD2 LEU 40 17.190 15.231 -3.661 298 HD23 LEU 40 2HD2 LEU 40 16.235 15.822 -2.301 299 H SER 41 H SER 41 18.418 9.944 -1.834 300 HA SER 41 HA SER 41 16.478 9.820 0.381 301 HB2 SER 41 1HB SER 41 17.362 7.548 0.891 302 HB3 SER 41 2HB SER 41 16.567 7.636 -0.681 303 HG SER 41 HG SER 41 19.270 7.314 -0.060 304 H GLY 42 H GLY 42 18.314 11.844 0.278 305 HA2 GLY 42 1HA GLY 42 20.185 11.055 2.421 306 HA3 GLY 42 2HA GLY 42 20.708 12.081 1.094 307 HA PRO 43 HA PRO 43 17.626 14.579 3.916 308 HB2 PRO 43 1HB PRO 43 17.469 13.664 6.467 309 HB3 PRO 43 2HB PRO 43 16.360 13.147 5.192 310 HG2 PRO 43 1HG PRO 43 18.783 11.760 6.273 311 HG3 PRO 43 2HG PRO 43 17.195 11.083 5.864 312 HD2 PRO 43 1HD PRO 43 19.337 10.867 4.222 313 HD3 PRO 43 2HD PRO 43 17.674 10.990 3.612 314 H SER 44 H SER 44 18.045 15.927 5.972 315 HA SER 44 HA SER 44 20.835 16.644 5.960 316 HB2 SER 44 1HB SER 44 20.141 18.525 7.371 317 HB3 SER 44 2HB SER 44 19.076 18.374 5.973 318 HG SER 44 HG SER 44 18.429 17.136 8.420 319 H SER 45 H SER 45 18.930 14.531 7.751 320 HA SER 45 HA SER 45 21.010 14.355 9.815 321 HB2 SER 45 1HB SER 45 19.232 13.894 11.513 322 HB3 SER 45 2HB SER 45 19.187 15.539 10.879 323 HG SER 45 HG SER 45 17.355 13.495 10.628 324 H GLY 46 H GLY 46 21.911 12.422 9.571 325 HA2 GLY 46 1HA GLY 46 20.563 10.241 8.296 326 HA3 GLY 46 2HA GLY 46 22.164 10.197 9.017 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 15.188 -14.113 -2.995 2 HA2 GLY 1 1HA GLY 1 12.654 -13.786 -4.297 3 HA3 GLY 1 2HA GLY 1 13.027 -14.926 -3.013 4 H SER 2 H SER 2 10.705 -14.123 -2.565 5 HA SER 2 HA SER 2 10.861 -12.373 -0.298 6 HB2 SER 2 1HB SER 2 9.393 -11.476 -2.783 7 HB3 SER 2 2HB SER 2 9.082 -10.802 -1.183 8 HG SER 2 HG SER 2 10.604 -9.484 -1.950 9 H SER 3 H SER 3 8.681 -12.116 0.746 10 HA SER 3 HA SER 3 7.409 -14.670 0.871 11 HB2 SER 3 1HB SER 3 6.546 -12.067 2.154 12 HB3 SER 3 2HB SER 3 6.030 -13.688 2.620 13 HG SER 3 HG SER 3 7.898 -14.024 3.586 14 H GLY 4 H GLY 4 5.160 -15.112 0.526 15 HA2 GLY 4 1HA GLY 4 3.841 -13.268 -1.362 16 HA3 GLY 4 2HA GLY 4 3.966 -14.984 -1.723 17 H SER 5 H SER 5 1.538 -14.453 -1.863 18 HA SER 5 HA SER 5 0.048 -14.072 0.505 19 HB2 SER 5 1HB SER 5 -0.592 -15.013 -2.265 20 HB3 SER 5 2HB SER 5 -1.800 -15.202 -0.993 21 HG SER 5 HG SER 5 -0.555 -12.721 -1.210 22 H SER 6 H SER 6 -0.032 -15.411 2.173 23 HA SER 6 HA SER 6 0.499 -18.246 1.817 24 HB2 SER 6 1HB SER 6 1.578 -17.055 3.679 25 HB3 SER 6 2HB SER 6 -0.005 -16.644 4.338 26 HG SER 6 HG SER 6 -0.374 -18.792 4.763 27 H GLY 7 H GLY 7 -2.051 -16.261 3.334 28 HA2 GLY 7 1HA GLY 7 -3.840 -18.556 3.383 29 HA3 GLY 7 2HA GLY 7 -4.166 -16.963 4.051 30 H SER 8 H SER 8 -4.869 -15.285 2.644 31 HA SER 8 HA SER 8 -5.459 -15.864 -0.110 32 HB2 SER 8 1HB SER 8 -7.325 -17.045 0.880 33 HB3 SER 8 2HB SER 8 -7.712 -15.660 1.901 34 HG SER 8 HG SER 8 -8.608 -14.666 0.244 35 H GLY 9 H GLY 9 -5.724 -14.029 -1.294 36 HA2 GLY 9 1HA GLY 9 -6.647 -11.560 -0.261 37 HA3 GLY 9 2HA GLY 9 -4.889 -11.577 -0.266 38 H GLU 10 H GLU 10 -7.454 -10.557 -1.969 39 HA GLU 10 HA GLU 10 -5.888 -10.250 -4.380 40 HB2 GLU 10 1HB GLU 10 -7.513 -11.222 -5.883 41 HB3 GLU 10 2HB GLU 10 -7.015 -12.432 -4.708 42 HG2 GLU 10 1HG GLU 10 -9.103 -11.738 -3.397 43 HG3 GLU 10 2HG GLU 10 -9.613 -10.957 -4.893 44 H LYS 11 H LYS 11 -6.745 -8.661 -5.821 45 HA LYS 11 HA LYS 11 -9.121 -7.204 -5.059 46 HB2 LYS 11 1HB LYS 11 -6.374 -5.974 -4.815 47 HB3 LYS 11 2HB LYS 11 -7.856 -5.029 -4.890 48 HG2 LYS 11 1HG LYS 11 -8.527 -6.639 -2.889 49 HG3 LYS 11 2HG LYS 11 -6.773 -6.700 -2.698 50 HD2 LYS 11 1HD LYS 11 -6.785 -4.186 -2.731 51 HD3 LYS 11 2HD LYS 11 -8.547 -4.263 -2.658 52 HE2 LYS 11 1HE LYS 11 -6.990 -5.804 -0.648 53 HE3 LYS 11 2HE LYS 11 -7.059 -4.051 -0.476 54 HZ1 LYS 11 3HZ LYS 11 -8.835 -5.395 0.698 55 HZ2 LYS 11 1HZ LYS 11 -9.501 -5.682 -0.831 56 HZ3 LYS 11 2HZ LYS 11 -9.371 -4.099 -0.249 57 HA PRO 12 HA PRO 12 -9.253 -6.329 -9.359 58 HB2 PRO 12 1HB PRO 12 -10.583 -3.963 -9.379 59 HB3 PRO 12 2HB PRO 12 -11.368 -5.502 -9.007 60 HG2 PRO 12 1HG PRO 12 -10.371 -3.384 -7.141 61 HG3 PRO 12 2HG PRO 12 -11.883 -4.308 -7.079 62 HD2 PRO 12 1HD PRO 12 -9.739 -4.917 -5.542 63 HD3 PRO 12 2HD PRO 12 -10.865 -6.151 -6.143 64 H TYR 13 H TYR 13 -8.476 -3.404 -7.464 65 HA TYR 13 HA TYR 13 -6.786 -2.438 -9.632 66 HB2 TYR 13 1HB TYR 13 -7.300 -1.088 -6.983 67 HB3 TYR 13 2HB TYR 13 -6.726 -0.352 -8.475 68 HD1 TYR 13 HD1 TYR 13 -8.292 -0.066 -10.389 69 HD2 TYR 13 HD2 TYR 13 -9.624 -1.392 -6.572 70 HE1 TYR 13 HE1 TYR 13 -10.606 0.493 -11.009 71 HE2 TYR 13 HE2 TYR 13 -11.942 -0.838 -7.181 72 HH TYR 13 HH TYR 13 -12.730 0.504 -10.376 73 H LYS 14 H LYS 14 -4.609 -2.381 -9.594 74 HA LYS 14 HA LYS 14 -3.209 -3.030 -7.103 75 HB2 LYS 14 1HB LYS 14 -2.798 -4.449 -9.741 76 HB3 LYS 14 2HB LYS 14 -1.729 -4.602 -8.353 77 HG2 LYS 14 1HG LYS 14 -3.224 -5.860 -7.162 78 HG3 LYS 14 2HG LYS 14 -4.625 -5.180 -7.993 79 HD2 LYS 14 1HD LYS 14 -3.849 -6.396 -10.058 80 HD3 LYS 14 2HD LYS 14 -2.668 -7.219 -9.037 81 HE2 LYS 14 1HE LYS 14 -4.807 -7.725 -7.576 82 HE3 LYS 14 2HE LYS 14 -5.633 -7.478 -9.114 83 HZ1 LYS 14 3HZ LYS 14 -3.303 -9.216 -9.172 84 HZ2 LYS 14 1HZ LYS 14 -4.785 -9.362 -9.976 85 HZ3 LYS 14 2HZ LYS 14 -4.655 -9.818 -8.352 86 H CYS 15 H CYS 15 -1.139 -2.185 -6.932 87 HA CYS 15 HA CYS 15 -0.618 0.139 -8.503 88 HB2 CYS 15 1HB CYS 15 -0.044 -0.192 -6.049 89 HB3 CYS 15 2HB CYS 15 1.299 -1.193 -6.590 90 H VAL 16 H VAL 16 1.223 0.563 -9.807 91 HA VAL 16 HA VAL 16 2.214 -1.833 -11.189 92 HB VAL 16 HB VAL 16 1.008 -0.083 -12.523 93 HG11 VAL 16 1HG1 VAL 16 2.570 1.892 -13.137 94 HG12 VAL 16 2HG1 VAL 16 1.625 1.972 -11.648 95 HG13 VAL 16 3HG1 VAL 16 3.336 1.545 -11.587 96 HG21 VAL 16 3HG2 VAL 16 2.636 -1.706 -13.489 97 HG22 VAL 16 1HG2 VAL 16 2.502 -0.199 -14.395 98 HG23 VAL 16 2HG2 VAL 16 3.886 -0.471 -13.336 99 H GLU 17 H GLU 17 3.170 0.439 -8.938 100 HA GLU 17 HA GLU 17 5.954 0.546 -9.770 101 HB2 GLU 17 1HB GLU 17 4.446 1.752 -7.455 102 HB3 GLU 17 2HB GLU 17 6.193 1.865 -7.606 103 HG2 GLU 17 1HG GLU 17 4.248 2.856 -9.674 104 HG3 GLU 17 2HG GLU 17 4.966 3.861 -8.417 105 H CYS 18 H CYS 18 3.986 -0.853 -7.188 106 HA CYS 18 HA CYS 18 6.283 -2.554 -6.469 107 HB2 CYS 18 1HB CYS 18 5.298 -2.643 -4.165 108 HB3 CYS 18 2HB CYS 18 5.893 -1.054 -4.635 109 H GLY 19 H GLY 19 2.799 -2.316 -6.897 110 HA2 GLY 19 1HA GLY 19 1.658 -4.157 -7.990 111 HA3 GLY 19 2HA GLY 19 2.720 -5.257 -7.124 112 H LYS 20 H LYS 20 1.710 -2.712 -5.165 113 HA LYS 20 HA LYS 20 0.380 -4.313 -3.325 114 HB2 LYS 20 1HB LYS 20 1.283 -1.806 -3.248 115 HB3 LYS 20 2HB LYS 20 -0.414 -1.450 -3.538 116 HG2 LYS 20 1HG LYS 20 -0.458 -1.458 -1.280 117 HG3 LYS 20 2HG LYS 20 -0.708 -3.186 -1.543 118 HD2 LYS 20 1HD LYS 20 2.089 -2.197 -1.373 119 HD3 LYS 20 2HD LYS 20 1.148 -2.265 0.119 120 HE2 LYS 20 1HE LYS 20 1.620 -4.556 -1.787 121 HE3 LYS 20 2HE LYS 20 2.419 -4.324 -0.233 122 HZ1 LYS 20 3HZ LYS 20 0.008 -5.615 -0.732 123 HZ2 LYS 20 1HZ LYS 20 -0.370 -4.207 0.126 124 HZ3 LYS 20 2HZ LYS 20 0.732 -5.319 0.768 125 H GLY 21 H GLY 21 -1.914 -4.146 -2.638 126 HA2 GLY 21 1HA GLY 21 -3.699 -3.900 -4.981 127 HA3 GLY 21 2HA GLY 21 -3.856 -5.197 -3.806 128 H TYR 22 H TYR 22 -5.560 -2.799 -4.742 129 HA TYR 22 HA TYR 22 -6.341 -1.980 -2.028 130 HB2 TYR 22 1HB TYR 22 -6.012 -0.234 -4.463 131 HB3 TYR 22 2HB TYR 22 -7.001 0.250 -3.090 132 HD1 TYR 22 HD2 TYR 22 -3.553 -0.688 -4.084 133 HD2 TYR 22 HD1 TYR 22 -6.018 1.182 -1.163 134 HE1 TYR 22 HE2 TYR 22 -1.547 0.178 -2.954 135 HE2 TYR 22 HE1 TYR 22 -4.019 2.054 -0.026 136 HH TYR 22 HH TYR 22 -1.796 2.066 0.041 137 H LYS 23 H LYS 23 -8.537 -1.729 -1.665 138 HA LYS 23 HA LYS 23 -10.267 -3.331 -3.215 139 HB2 LYS 23 1HB LYS 23 -10.368 -2.518 -0.694 140 HB3 LYS 23 2HB LYS 23 -11.366 -1.245 -1.384 141 HG2 LYS 23 1HG LYS 23 -11.981 -4.076 -2.066 142 HG3 LYS 23 2HG LYS 23 -12.432 -3.457 -0.475 143 HD2 LYS 23 1HD LYS 23 -13.125 -1.816 -2.854 144 HD3 LYS 23 2HD LYS 23 -14.059 -3.286 -2.564 145 HE2 LYS 23 1HE LYS 23 -15.300 -1.825 -1.337 146 HE3 LYS 23 2HE LYS 23 -14.132 -2.298 -0.103 147 HZ1 LYS 23 3HZ LYS 23 -13.679 -0.148 0.095 148 HZ2 LYS 23 1HZ LYS 23 -14.573 0.256 -1.283 149 HZ3 LYS 23 2HZ LYS 23 -12.954 -0.210 -1.432 150 H ARG 24 H ARG 24 -9.828 0.171 -2.983 151 HA ARG 24 HA ARG 24 -11.512 0.456 -5.385 152 HB2 ARG 24 1HB ARG 24 -12.721 1.480 -3.616 153 HB3 ARG 24 2HB ARG 24 -11.275 2.250 -2.976 154 HG2 ARG 24 1HG ARG 24 -11.176 3.595 -5.094 155 HG3 ARG 24 2HG ARG 24 -12.769 2.945 -5.489 156 HD2 ARG 24 1HD ARG 24 -12.118 4.453 -2.961 157 HD3 ARG 24 2HD ARG 24 -12.827 5.183 -4.401 158 HE ARG 24 HE ARG 24 -14.165 3.573 -2.440 159 HH11 ARG 24 1HH1 ARG 24 -14.181 4.610 -5.764 160 HH12 ARG 24 2HH1 ARG 24 -15.881 4.353 -5.972 161 HH21 ARG 24 1HH2 ARG 24 -16.405 3.230 -2.702 162 HH22 ARG 24 2HH2 ARG 24 -17.146 3.569 -4.230 163 H ARG 25 H ARG 25 -10.770 1.756 -7.022 164 HA ARG 25 HA ARG 25 -8.044 2.005 -7.431 165 HB2 ARG 25 1HB ARG 25 -10.097 2.254 -9.057 166 HB3 ARG 25 2HB ARG 25 -9.910 3.966 -8.703 167 HG2 ARG 25 1HG ARG 25 -7.807 4.069 -9.693 168 HG3 ARG 25 2HG ARG 25 -7.583 2.320 -9.615 169 HD2 ARG 25 1HD ARG 25 -8.086 2.565 -11.833 170 HD3 ARG 25 2HD ARG 25 -9.701 2.312 -11.173 171 HE ARG 25 HE ARG 25 -8.923 5.077 -11.317 172 HH11 ARG 25 1HH1 ARG 25 -10.349 2.405 -13.033 173 HH12 ARG 25 2HH1 ARG 25 -11.228 3.412 -14.135 174 HH21 ARG 25 1HH2 ARG 25 -10.075 6.414 -12.762 175 HH22 ARG 25 2HH2 ARG 25 -11.071 5.693 -13.981 176 H LEU 26 H LEU 26 -10.291 4.691 -6.729 177 HA LEU 26 HA LEU 26 -8.699 6.810 -6.488 178 HB2 LEU 26 1HB LEU 26 -11.165 6.520 -5.811 179 HB3 LEU 26 2HB LEU 26 -10.534 6.183 -4.201 180 HG LEU 26 HG LEU 26 -11.275 8.498 -4.408 181 HD11 LEU 26 1HD1 LEU 26 -8.342 8.827 -4.316 182 HD12 LEU 26 2HD1 LEU 26 -9.040 7.644 -3.210 183 HD13 LEU 26 3HD1 LEU 26 -9.580 9.322 -3.162 184 HD21 LEU 26 3HD2 LEU 26 -9.062 8.948 -6.387 185 HD22 LEU 26 1HD2 LEU 26 -10.378 10.032 -5.936 186 HD23 LEU 26 2HD2 LEU 26 -10.713 8.589 -6.895 187 H ASP 27 H ASP 27 -9.000 4.338 -3.952 188 HA ASP 27 HA ASP 27 -7.250 5.450 -2.095 189 HB2 ASP 27 1HB ASP 27 -8.794 3.334 -1.972 190 HB3 ASP 27 2HB ASP 27 -7.346 2.483 -2.500 191 H LEU 28 H LEU 28 -6.512 2.914 -4.497 192 HA LEU 28 HA LEU 28 -3.765 2.814 -4.051 193 HB2 LEU 28 1HB LEU 28 -4.683 1.071 -5.303 194 HB3 LEU 28 2HB LEU 28 -5.482 2.174 -6.420 195 HG LEU 28 HG LEU 28 -2.951 2.784 -6.995 196 HD11 LEU 28 1HD1 LEU 28 -2.256 1.047 -5.230 197 HD12 LEU 28 2HD1 LEU 28 -1.445 1.024 -6.796 198 HD13 LEU 28 3HD1 LEU 28 -2.713 -0.151 -6.442 199 HD21 LEU 28 3HD2 LEU 28 -4.055 2.172 -8.857 200 HD22 LEU 28 1HD2 LEU 28 -4.903 0.854 -8.048 201 HD23 LEU 28 2HD2 LEU 28 -3.244 0.626 -8.603 202 H ASP 29 H ASP 29 -5.599 4.738 -6.408 203 HA ASP 29 HA ASP 29 -3.553 5.945 -7.783 204 HB2 ASP 29 1HB ASP 29 -5.990 6.235 -8.243 205 HB3 ASP 29 2HB ASP 29 -6.079 7.336 -6.871 206 H PHE 30 H PHE 30 -4.639 6.572 -4.527 207 HA PHE 30 HA PHE 30 -3.055 8.981 -4.268 208 HB2 PHE 30 1HB PHE 30 -5.315 8.292 -3.059 209 HB3 PHE 30 2HB PHE 30 -4.201 7.581 -1.896 210 HD1 PHE 30 HD1 PHE 30 -2.283 9.161 -1.079 211 HD2 PHE 30 HD2 PHE 30 -5.930 10.495 -2.821 212 HE1 PHE 30 HE1 PHE 30 -1.975 11.363 -0.026 213 HE2 PHE 30 HE2 PHE 30 -5.628 12.700 -1.772 214 HZ PHE 30 HZ PHE 30 -3.649 13.137 -0.374 215 H HIS 31 H HIS 31 -2.662 5.604 -3.787 216 HA HIS 31 HA HIS 31 -0.595 5.711 -1.830 217 HB2 HIS 31 1HB HIS 31 -1.540 3.615 -1.884 218 HB3 HIS 31 2HB HIS 31 -1.727 3.626 -3.635 219 HD1 HIS 31 HD1 HIS 31 0.947 3.147 -1.000 220 HD2 HIS 31 HD2 HIS 31 0.245 2.325 -5.012 221 HE1 HIS 31 HE1 HIS 31 2.853 1.678 -1.728 222 H GLN 32 H GLN 32 -0.624 5.468 -5.366 223 HA GLN 32 HA GLN 32 2.025 5.057 -5.910 224 HB2 GLN 32 1HB GLN 32 -0.006 6.772 -7.326 225 HB3 GLN 32 2HB GLN 32 1.613 6.523 -7.965 226 HG2 GLN 32 1HG GLN 32 1.245 4.267 -8.367 227 HG3 GLN 32 2HG GLN 32 -0.125 4.195 -7.259 228 HE21 GLN 32 1HE2 GLN 32 -1.824 3.663 -8.440 229 HE22 GLN 32 2HE2 GLN 32 -2.312 4.427 -9.910 230 H ARG 33 H ARG 33 0.563 7.865 -4.532 231 HA ARG 33 HA ARG 33 2.263 9.915 -5.152 232 HB2 ARG 33 1HB ARG 33 1.159 9.317 -2.401 233 HB3 ARG 33 2HB ARG 33 1.729 10.881 -2.968 234 HG2 ARG 33 1HG ARG 33 -0.432 9.540 -4.500 235 HG3 ARG 33 2HG ARG 33 -0.830 10.264 -2.941 236 HD2 ARG 33 1HD ARG 33 -1.213 12.006 -4.418 237 HD3 ARG 33 2HD ARG 33 0.425 12.333 -3.854 238 HE ARG 33 HE ARG 33 0.800 10.838 -6.089 239 HH11 ARG 33 1HH1 ARG 33 -0.974 13.752 -5.394 240 HH12 ARG 33 2HH1 ARG 33 -0.783 14.403 -6.988 241 HH21 ARG 33 1HH2 ARG 33 1.058 11.685 -8.191 242 HH22 ARG 33 2HH2 ARG 33 0.372 13.226 -8.578 243 H VAL 34 H VAL 34 2.759 7.421 -2.676 244 HA VAL 34 HA VAL 34 5.162 8.375 -1.623 245 HB VAL 34 HB VAL 34 5.526 6.194 -0.720 246 HG11 VAL 34 1HG1 VAL 34 2.573 6.109 -0.746 247 HG12 VAL 34 2HG1 VAL 34 3.699 6.124 0.613 248 HG13 VAL 34 3HG1 VAL 34 3.310 7.625 -0.228 249 HG21 VAL 34 3HG2 VAL 34 5.348 4.704 -2.495 250 HG22 VAL 34 1HG2 VAL 34 3.941 4.312 -1.507 251 HG23 VAL 34 2HG2 VAL 34 3.753 5.293 -2.960 252 H HIS 35 H HIS 35 4.525 6.364 -4.446 253 HA HIS 35 HA HIS 35 7.241 5.715 -4.973 254 HB2 HIS 35 1HB HIS 35 4.753 5.665 -6.677 255 HB3 HIS 35 2HB HIS 35 6.328 5.174 -7.292 256 HD1 HIS 35 HD1 HIS 35 7.493 3.247 -5.594 257 HD2 HIS 35 HD2 HIS 35 3.353 3.568 -5.728 258 HE1 HIS 35 HE1 HIS 35 6.620 1.058 -4.717 259 H THR 36 H THR 36 5.282 8.483 -5.593 260 HA THR 36 HA THR 36 7.326 9.576 -7.408 261 HB THR 36 HB THR 36 5.190 9.647 -8.467 262 HG1 THR 36 HG1 THR 36 5.851 12.194 -7.368 263 HG21 THR 36 3HG2 THR 36 3.828 9.379 -6.418 264 HG22 THR 36 1HG2 THR 36 3.220 10.652 -7.476 265 HG23 THR 36 2HG2 THR 36 4.130 11.071 -6.024 266 H GLY 37 H GLY 37 8.781 10.783 -6.378 267 HA2 GLY 37 1HA GLY 37 7.823 12.549 -4.209 268 HA3 GLY 37 2HA GLY 37 9.398 11.770 -4.186 269 H GLU 38 H GLU 38 7.630 13.582 -6.693 270 HA GLU 38 HA GLU 38 9.749 14.772 -7.928 271 HB2 GLU 38 1HB GLU 38 8.221 16.546 -8.641 272 HB3 GLU 38 2HB GLU 38 7.445 14.971 -8.727 273 HG2 GLU 38 1HG GLU 38 6.472 15.505 -6.438 274 HG3 GLU 38 2HG GLU 38 6.998 17.161 -6.731 275 H LYS 39 H LYS 39 11.425 15.702 -6.938 276 HA LYS 39 HA LYS 39 12.588 16.863 -5.300 277 HB2 LYS 39 1HB LYS 39 12.358 19.246 -5.651 278 HB3 LYS 39 2HB LYS 39 12.209 18.415 -7.193 279 HG2 LYS 39 1HG LYS 39 9.708 18.987 -5.714 280 HG3 LYS 39 2HG LYS 39 10.556 20.351 -6.446 281 HD2 LYS 39 1HD LYS 39 10.636 18.765 -8.539 282 HD3 LYS 39 2HD LYS 39 9.261 17.996 -7.742 283 HE2 LYS 39 1HE LYS 39 8.408 19.637 -9.252 284 HE3 LYS 39 2HE LYS 39 8.179 20.242 -7.612 285 HZ1 LYS 39 3HZ LYS 39 9.352 21.599 -9.644 286 HZ2 LYS 39 1HZ LYS 39 10.684 21.034 -8.767 287 HZ3 LYS 39 2HZ LYS 39 9.504 21.973 -8.002 288 H LEU 40 H LEU 40 10.725 15.478 -3.921 289 HA LEU 40 HA LEU 40 9.134 17.254 -2.289 290 HB2 LEU 40 1HB LEU 40 8.080 15.222 -2.616 291 HB3 LEU 40 2HB LEU 40 9.573 14.303 -2.425 292 HG LEU 40 HG LEU 40 9.505 14.782 0.005 293 HD11 LEU 40 1HD1 LEU 40 7.748 16.770 -0.670 294 HD12 LEU 40 2HD1 LEU 40 8.029 16.158 0.960 295 HD13 LEU 40 3HD1 LEU 40 6.686 15.532 0.003 296 HD21 LEU 40 3HD2 LEU 40 8.465 12.747 -1.135 297 HD22 LEU 40 1HD2 LEU 40 6.912 13.536 -0.855 298 HD23 LEU 40 2HD2 LEU 40 7.943 13.110 0.511 299 H SER 41 H SER 41 9.384 17.550 -0.037 300 HA SER 41 HA SER 41 11.964 18.125 0.829 301 HB2 SER 41 1HB SER 41 10.956 18.338 3.094 302 HB3 SER 41 2HB SER 41 10.015 19.163 1.851 303 HG SER 41 HG SER 41 9.452 16.755 3.202 304 H GLY 42 H GLY 42 12.622 17.170 3.172 305 HA2 GLY 42 1HA GLY 42 12.393 14.273 3.247 306 HA3 GLY 42 2HA GLY 42 13.996 14.893 2.880 307 HA PRO 43 HA PRO 43 14.905 15.482 7.122 308 HB2 PRO 43 1HB PRO 43 16.083 17.927 7.215 309 HB3 PRO 43 2HB PRO 43 16.865 16.510 6.504 310 HG2 PRO 43 1HG PRO 43 15.415 18.753 5.151 311 HG3 PRO 43 2HG PRO 43 16.936 17.965 4.691 312 HD2 PRO 43 1HD PRO 43 14.575 17.378 3.503 313 HD3 PRO 43 2HD PRO 43 15.861 16.173 3.719 314 H SER 44 H SER 44 12.747 15.562 7.927 315 HA SER 44 HA SER 44 12.130 17.920 9.366 316 HB2 SER 44 1HB SER 44 11.355 18.510 7.008 317 HB3 SER 44 2HB SER 44 10.113 17.275 7.213 318 HG SER 44 HG SER 44 10.124 19.794 8.103 319 H SER 45 H SER 45 9.836 17.705 10.367 320 HA SER 45 HA SER 45 9.693 15.542 11.990 321 HB2 SER 45 1HB SER 45 7.577 17.383 10.938 322 HB3 SER 45 2HB SER 45 7.101 16.007 11.934 323 HG SER 45 HG SER 45 9.214 17.380 12.976 324 H GLY 46 H GLY 46 7.514 15.854 9.176 325 HA2 GLY 46 1HA GLY 46 6.303 14.173 8.115 326 HA3 GLY 46 2HA GLY 46 7.937 13.622 7.772 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 12.777 -21.673 8.777 2 HA2 GLY 1 1HA GLY 1 12.168 -19.841 7.521 3 HA3 GLY 1 2HA GLY 1 13.418 -20.286 6.368 4 H SER 2 H SER 2 10.065 -20.674 7.270 5 HA SER 2 HA SER 2 9.346 -21.176 4.530 6 HB2 SER 2 1HB SER 2 9.988 -23.447 5.621 7 HB3 SER 2 2HB SER 2 8.456 -23.286 6.478 8 HG SER 2 HG SER 2 7.830 -24.284 4.687 9 H SER 3 H SER 3 7.137 -20.866 4.121 10 HA SER 3 HA SER 3 5.296 -20.384 6.284 11 HB2 SER 3 1HB SER 3 4.848 -18.036 5.726 12 HB3 SER 3 2HB SER 3 6.525 -18.248 6.228 13 HG SER 3 HG SER 3 5.764 -18.316 3.508 14 H GLY 4 H GLY 4 3.286 -20.870 5.651 15 HA2 GLY 4 1HA GLY 4 2.828 -21.693 2.938 16 HA3 GLY 4 2HA GLY 4 1.661 -21.733 4.252 17 H SER 5 H SER 5 0.627 -19.682 4.842 18 HA SER 5 HA SER 5 0.738 -17.517 2.936 19 HB2 SER 5 1HB SER 5 -1.696 -19.300 3.129 20 HB3 SER 5 2HB SER 5 -1.732 -17.682 2.428 21 HG SER 5 HG SER 5 -1.138 -18.653 0.667 22 H SER 6 H SER 6 0.486 -15.694 4.032 23 HA SER 6 HA SER 6 -1.075 -15.766 6.532 24 HB2 SER 6 1HB SER 6 1.413 -15.437 6.796 25 HB3 SER 6 2HB SER 6 1.235 -13.907 5.937 26 HG SER 6 HG SER 6 0.879 -14.356 8.505 27 H GLY 7 H GLY 7 -3.002 -15.139 5.507 28 HA2 GLY 7 1HA GLY 7 -4.576 -13.562 4.932 29 HA3 GLY 7 2HA GLY 7 -3.382 -12.328 5.305 30 H SER 8 H SER 8 -4.352 -14.645 2.805 31 HA SER 8 HA SER 8 -3.053 -12.939 0.795 32 HB2 SER 8 1HB SER 8 -3.310 -14.906 -0.719 33 HB3 SER 8 2HB SER 8 -2.327 -15.251 0.704 34 HG SER 8 HG SER 8 -5.043 -15.734 0.955 35 H GLY 9 H GLY 9 -4.452 -11.406 0.160 36 HA2 GLY 9 1HA GLY 9 -7.170 -12.286 -0.599 37 HA3 GLY 9 2HA GLY 9 -6.827 -10.701 0.077 38 H GLU 10 H GLU 10 -8.078 -11.494 -2.488 39 HA GLU 10 HA GLU 10 -6.135 -10.382 -4.390 40 HB2 GLU 10 1HB GLU 10 -8.700 -11.913 -4.835 41 HB3 GLU 10 2HB GLU 10 -7.748 -11.199 -6.128 42 HG2 GLU 10 1HG GLU 10 -6.051 -12.725 -5.913 43 HG3 GLU 10 2HG GLU 10 -6.426 -13.066 -4.225 44 H LYS 11 H LYS 11 -6.684 -8.646 -5.733 45 HA LYS 11 HA LYS 11 -9.177 -7.227 -5.160 46 HB2 LYS 11 1HB LYS 11 -6.402 -6.103 -4.812 47 HB3 LYS 11 2HB LYS 11 -7.805 -5.071 -5.060 48 HG2 LYS 11 1HG LYS 11 -8.662 -5.497 -2.992 49 HG3 LYS 11 2HG LYS 11 -7.937 -7.104 -2.901 50 HD2 LYS 11 1HD LYS 11 -5.795 -6.202 -2.403 51 HD3 LYS 11 2HD LYS 11 -6.323 -4.563 -2.795 52 HE2 LYS 11 1HE LYS 11 -7.697 -4.450 -0.868 53 HE3 LYS 11 2HE LYS 11 -7.540 -6.181 -0.568 54 HZ1 LYS 11 3HZ LYS 11 -5.601 -5.898 0.481 55 HZ2 LYS 11 1HZ LYS 11 -6.066 -4.278 0.629 56 HZ3 LYS 11 2HZ LYS 11 -5.035 -4.751 -0.626 57 HA PRO 12 HA PRO 12 -9.218 -6.400 -9.470 58 HB2 PRO 12 1HB PRO 12 -10.482 -3.999 -9.545 59 HB3 PRO 12 2HB PRO 12 -11.314 -5.511 -9.163 60 HG2 PRO 12 1HG PRO 12 -10.289 -3.395 -7.311 61 HG3 PRO 12 2HG PRO 12 -11.826 -4.276 -7.261 62 HD2 PRO 12 1HD PRO 12 -9.724 -4.923 -5.681 63 HD3 PRO 12 2HD PRO 12 -10.874 -6.134 -6.284 64 H TYR 13 H TYR 13 -8.401 -3.462 -7.612 65 HA TYR 13 HA TYR 13 -6.651 -2.574 -9.763 66 HB2 TYR 13 1HB TYR 13 -7.171 -1.183 -7.136 67 HB3 TYR 13 2HB TYR 13 -6.542 -0.478 -8.621 68 HD1 TYR 13 HD1 TYR 13 -8.059 -0.172 -10.575 69 HD2 TYR 13 HD2 TYR 13 -9.510 -1.401 -6.769 70 HE1 TYR 13 HE1 TYR 13 -10.341 0.451 -11.250 71 HE2 TYR 13 HE2 TYR 13 -11.796 -0.782 -7.433 72 HH TYR 13 HH TYR 13 -12.476 0.541 -10.661 73 H LYS 14 H LYS 14 -4.458 -2.442 -9.647 74 HA LYS 14 HA LYS 14 -3.117 -3.143 -7.148 75 HB2 LYS 14 1HB LYS 14 -2.692 -4.605 -9.760 76 HB3 LYS 14 2HB LYS 14 -1.653 -4.765 -8.350 77 HG2 LYS 14 1HG LYS 14 -3.201 -5.971 -7.172 78 HG3 LYS 14 2HG LYS 14 -4.569 -5.273 -8.042 79 HD2 LYS 14 1HD LYS 14 -3.900 -6.552 -10.048 80 HD3 LYS 14 2HD LYS 14 -2.599 -7.295 -9.113 81 HE2 LYS 14 1HE LYS 14 -4.618 -7.870 -7.488 82 HE3 LYS 14 2HE LYS 14 -5.534 -7.739 -8.988 83 HZ1 LYS 14 3HZ LYS 14 -3.219 -9.531 -8.495 84 HZ2 LYS 14 1HZ LYS 14 -4.010 -9.364 -9.981 85 HZ3 LYS 14 2HZ LYS 14 -4.837 -10.000 -8.649 86 H CYS 15 H CYS 15 -1.198 -2.124 -6.863 87 HA CYS 15 HA CYS 15 -0.561 0.101 -8.456 88 HB2 CYS 15 1HB CYS 15 0.015 -0.229 -6.019 89 HB3 CYS 15 2HB CYS 15 1.311 -1.300 -6.542 90 H VAL 16 H VAL 16 1.374 0.515 -9.681 91 HA VAL 16 HA VAL 16 2.269 -1.869 -11.149 92 HB VAL 16 HB VAL 16 1.165 -0.075 -12.468 93 HG11 VAL 16 1HG1 VAL 16 2.275 2.033 -12.844 94 HG12 VAL 16 2HG1 VAL 16 2.004 1.820 -11.113 95 HG13 VAL 16 3HG1 VAL 16 3.609 1.557 -11.794 96 HG21 VAL 16 3HG2 VAL 16 2.802 -1.625 -13.474 97 HG22 VAL 16 1HG2 VAL 16 2.786 -0.048 -14.264 98 HG23 VAL 16 2HG2 VAL 16 4.081 -0.458 -13.140 99 H GLU 17 H GLU 17 3.306 0.520 -8.959 100 HA GLU 17 HA GLU 17 6.089 0.470 -9.707 101 HB2 GLU 17 1HB GLU 17 4.617 1.622 -7.340 102 HB3 GLU 17 2HB GLU 17 6.364 1.710 -7.510 103 HG2 GLU 17 1HG GLU 17 4.457 2.780 -9.570 104 HG3 GLU 17 2HG GLU 17 5.085 3.744 -8.234 105 H CYS 18 H CYS 18 4.142 -0.820 -7.027 106 HA CYS 18 HA CYS 18 6.367 -2.651 -6.406 107 HB2 CYS 18 1HB CYS 18 5.308 -2.798 -4.119 108 HB3 CYS 18 2HB CYS 18 6.003 -1.231 -4.520 109 H GLY 19 H GLY 19 2.876 -2.343 -6.799 110 HA2 GLY 19 1HA GLY 19 1.717 -4.127 -7.981 111 HA3 GLY 19 2HA GLY 19 2.757 -5.272 -7.147 112 H LYS 20 H LYS 20 1.689 -2.714 -5.185 113 HA LYS 20 HA LYS 20 0.364 -4.362 -3.364 114 HB2 LYS 20 1HB LYS 20 1.242 -1.811 -3.302 115 HB3 LYS 20 2HB LYS 20 -0.484 -1.525 -3.483 116 HG2 LYS 20 1HG LYS 20 -0.385 -1.584 -1.225 117 HG3 LYS 20 2HG LYS 20 -0.586 -3.313 -1.518 118 HD2 LYS 20 1HD LYS 20 2.169 -2.177 -1.458 119 HD3 LYS 20 2HD LYS 20 1.313 -2.410 0.068 120 HE2 LYS 20 1HE LYS 20 0.834 -4.788 -0.908 121 HE3 LYS 20 2HE LYS 20 2.226 -4.434 -1.930 122 HZ1 LYS 20 3HZ LYS 20 2.337 -5.471 0.567 123 HZ2 LYS 20 1HZ LYS 20 2.667 -3.835 0.845 124 HZ3 LYS 20 2HZ LYS 20 3.623 -4.719 -0.235 125 H GLY 21 H GLY 21 -1.998 -3.786 -2.643 126 HA2 GLY 21 1HA GLY 21 -3.735 -3.643 -5.020 127 HA3 GLY 21 2HA GLY 21 -3.926 -4.955 -3.866 128 H TYR 22 H TYR 22 -5.672 -2.638 -4.754 129 HA TYR 22 HA TYR 22 -6.446 -1.822 -2.046 130 HB2 TYR 22 1HB TYR 22 -6.083 0.009 -4.419 131 HB3 TYR 22 2HB TYR 22 -7.003 0.461 -2.988 132 HD1 TYR 22 HD2 TYR 22 -3.627 -0.649 -4.089 133 HD2 TYR 22 HD1 TYR 22 -5.919 1.371 -1.127 134 HE1 TYR 22 HE2 TYR 22 -1.552 0.094 -2.998 135 HE2 TYR 22 HE1 TYR 22 -3.850 2.121 -0.029 136 HH TYR 22 HH TYR 22 -1.478 1.413 0.110 137 H LYS 23 H LYS 23 -8.540 -2.123 -1.659 138 HA LYS 23 HA LYS 23 -10.271 -3.418 -3.364 139 HB2 LYS 23 1HB LYS 23 -10.442 -2.907 -0.814 140 HB3 LYS 23 2HB LYS 23 -11.326 -1.478 -1.332 141 HG2 LYS 23 1HG LYS 23 -12.799 -3.097 -2.656 142 HG3 LYS 23 2HG LYS 23 -12.062 -4.362 -1.669 143 HD2 LYS 23 1HD LYS 23 -13.953 -3.840 -0.446 144 HD3 LYS 23 2HD LYS 23 -12.732 -2.822 0.322 145 HE2 LYS 23 1HE LYS 23 -13.487 -0.896 -0.868 146 HE3 LYS 23 2HE LYS 23 -14.542 -1.870 -1.890 147 HZ1 LYS 23 3HZ LYS 23 -14.856 -1.309 1.004 148 HZ2 LYS 23 1HZ LYS 23 -15.767 -2.473 0.182 149 HZ3 LYS 23 2HZ LYS 23 -15.886 -0.844 -0.254 150 H ARG 24 H ARG 24 -9.728 0.033 -2.993 151 HA ARG 24 HA ARG 24 -11.553 0.499 -5.259 152 HB2 ARG 24 1HB ARG 24 -12.526 1.543 -3.349 153 HB3 ARG 24 2HB ARG 24 -10.983 2.225 -2.853 154 HG2 ARG 24 1HG ARG 24 -10.993 3.736 -4.727 155 HG3 ARG 24 2HG ARG 24 -12.461 2.989 -5.362 156 HD2 ARG 24 1HD ARG 24 -12.512 4.053 -2.587 157 HD3 ARG 24 2HD ARG 24 -12.529 5.208 -3.919 158 HE ARG 24 HE ARG 24 -14.645 3.394 -3.155 159 HH11 ARG 24 1HH1 ARG 24 -13.331 5.446 -5.641 160 HH12 ARG 24 2HH1 ARG 24 -14.843 5.638 -6.464 161 HH21 ARG 24 1HH2 ARG 24 -16.642 3.639 -4.230 162 HH22 ARG 24 2HH2 ARG 24 -16.726 4.611 -5.660 163 H ARG 25 H ARG 25 -10.923 2.040 -6.814 164 HA ARG 25 HA ARG 25 -8.147 2.076 -7.383 165 HB2 ARG 25 1HB ARG 25 -9.824 2.090 -9.158 166 HB3 ARG 25 2HB ARG 25 -10.411 3.656 -8.614 167 HG2 ARG 25 1HG ARG 25 -8.576 4.781 -9.436 168 HG3 ARG 25 2HG ARG 25 -7.552 3.344 -9.407 169 HD2 ARG 25 1HD ARG 25 -8.661 2.426 -11.308 170 HD3 ARG 25 2HD ARG 25 -9.912 3.667 -11.249 171 HE ARG 25 HE ARG 25 -7.357 4.843 -11.572 172 HH11 ARG 25 1HH1 ARG 25 -9.798 3.062 -13.300 173 HH12 ARG 25 2HH1 ARG 25 -9.364 3.713 -14.846 174 HH21 ARG 25 1HH2 ARG 25 -6.776 5.707 -13.602 175 HH22 ARG 25 2HH2 ARG 25 -7.645 5.216 -15.017 176 H LEU 26 H LEU 26 -10.415 4.638 -6.404 177 HA LEU 26 HA LEU 26 -8.756 6.814 -6.395 178 HB2 LEU 26 1HB LEU 26 -11.250 6.560 -5.732 179 HB3 LEU 26 2HB LEU 26 -10.620 6.351 -4.100 180 HG LEU 26 HG LEU 26 -11.351 8.642 -4.478 181 HD11 LEU 26 1HD1 LEU 26 -9.656 9.533 -3.295 182 HD12 LEU 26 2HD1 LEU 26 -8.431 9.020 -4.455 183 HD13 LEU 26 3HD1 LEU 26 -9.066 7.871 -3.278 184 HD21 LEU 26 3HD2 LEU 26 -11.046 9.650 -6.429 185 HD22 LEU 26 1HD2 LEU 26 -10.119 8.265 -7.005 186 HD23 LEU 26 2HD2 LEU 26 -9.298 9.599 -6.193 187 H ASP 27 H ASP 27 -9.042 4.321 -3.903 188 HA ASP 27 HA ASP 27 -7.368 5.491 -1.985 189 HB2 ASP 27 1HB ASP 27 -8.897 3.324 -1.942 190 HB3 ASP 27 2HB ASP 27 -7.374 2.525 -2.324 191 H LEU 28 H LEU 28 -6.602 3.095 -4.506 192 HA LEU 28 HA LEU 28 -3.851 2.940 -3.964 193 HB2 LEU 28 1HB LEU 28 -4.740 1.220 -5.267 194 HB3 LEU 28 2HB LEU 28 -5.527 2.343 -6.374 195 HG LEU 28 HG LEU 28 -2.993 2.976 -6.902 196 HD11 LEU 28 1HD1 LEU 28 -1.471 1.558 -6.144 197 HD12 LEU 28 2HD1 LEU 28 -2.330 0.202 -6.874 198 HD13 LEU 28 3HD1 LEU 28 -2.727 0.717 -5.235 199 HD21 LEU 28 3HD2 LEU 28 -4.552 0.644 -8.005 200 HD22 LEU 28 1HD2 LEU 28 -3.111 1.322 -8.765 201 HD23 LEU 28 2HD2 LEU 28 -4.561 2.311 -8.583 202 H ASP 29 H ASP 29 -5.664 4.941 -6.266 203 HA ASP 29 HA ASP 29 -3.634 6.167 -7.633 204 HB2 ASP 29 1HB ASP 29 -6.062 6.538 -8.028 205 HB3 ASP 29 2HB ASP 29 -6.111 7.559 -6.593 206 H PHE 30 H PHE 30 -4.682 6.768 -4.343 207 HA PHE 30 HA PHE 30 -3.025 9.105 -4.028 208 HB2 PHE 30 1HB PHE 30 -5.244 8.451 -2.779 209 HB3 PHE 30 2HB PHE 30 -4.150 7.580 -1.710 210 HD1 PHE 30 HD1 PHE 30 -2.129 8.963 -0.803 211 HD2 PHE 30 HD2 PHE 30 -5.711 10.663 -2.351 212 HE1 PHE 30 HE1 PHE 30 -1.666 11.046 0.422 213 HE2 PHE 30 HE2 PHE 30 -5.253 12.748 -1.129 214 HZ PHE 30 HZ PHE 30 -3.228 12.942 0.260 215 H HIS 31 H HIS 31 -2.683 5.697 -3.642 216 HA HIS 31 HA HIS 31 -0.514 5.734 -1.795 217 HB2 HIS 31 1HB HIS 31 -1.501 3.659 -1.811 218 HB3 HIS 31 2HB HIS 31 -1.801 3.696 -3.546 219 HD1 HIS 31 HD1 HIS 31 0.903 2.940 -1.044 220 HD2 HIS 31 HD2 HIS 31 0.167 2.547 -5.114 221 HE1 HIS 31 HE1 HIS 31 2.753 1.480 -1.924 222 H GLN 32 H GLN 32 -0.688 5.308 -5.325 223 HA GLN 32 HA GLN 32 1.927 4.931 -5.966 224 HB2 GLN 32 1HB GLN 32 -0.172 6.582 -7.360 225 HB3 GLN 32 2HB GLN 32 1.420 6.314 -8.057 226 HG2 GLN 32 1HG GLN 32 1.046 4.049 -8.367 227 HG3 GLN 32 2HG GLN 32 -0.261 4.003 -7.185 228 HE21 GLN 32 1HE2 GLN 32 -1.783 3.124 -8.513 229 HE22 GLN 32 2HE2 GLN 32 -2.447 3.945 -9.879 230 H ARG 33 H ARG 33 0.520 7.771 -4.611 231 HA ARG 33 HA ARG 33 2.239 9.779 -5.401 232 HB2 ARG 33 1HB ARG 33 0.938 9.314 -2.715 233 HB3 ARG 33 2HB ARG 33 1.767 10.802 -3.150 234 HG2 ARG 33 1HG ARG 33 0.182 11.106 -5.015 235 HG3 ARG 33 2HG ARG 33 -0.677 9.658 -4.484 236 HD2 ARG 33 1HD ARG 33 -1.913 11.298 -3.456 237 HD3 ARG 33 2HD ARG 33 -0.750 10.913 -2.188 238 HE ARG 33 HE ARG 33 0.488 12.913 -3.446 239 HH11 ARG 33 1HH1 ARG 33 -2.807 12.577 -2.372 240 HH12 ARG 33 2HH1 ARG 33 -3.027 14.273 -2.095 241 HH21 ARG 33 1HH2 ARG 33 0.211 15.148 -3.084 242 HH22 ARG 33 2HH2 ARG 33 -1.310 15.734 -2.501 243 H VAL 34 H VAL 34 2.707 7.324 -2.907 244 HA VAL 34 HA VAL 34 5.050 8.311 -1.754 245 HB VAL 34 HB VAL 34 5.476 6.063 -0.961 246 HG11 VAL 34 1HG1 VAL 34 3.849 6.387 0.512 247 HG12 VAL 34 2HG1 VAL 34 3.037 7.466 -0.625 248 HG13 VAL 34 3HG1 VAL 34 2.670 5.741 -0.630 249 HG21 VAL 34 3HG2 VAL 34 3.613 5.303 -3.174 250 HG22 VAL 34 1HG2 VAL 34 5.185 4.624 -2.750 251 HG23 VAL 34 2HG2 VAL 34 3.773 4.269 -1.755 252 H HIS 35 H HIS 35 4.573 6.285 -4.608 253 HA HIS 35 HA HIS 35 7.343 5.802 -5.062 254 HB2 HIS 35 1HB HIS 35 4.949 5.590 -6.897 255 HB3 HIS 35 2HB HIS 35 6.573 5.061 -7.328 256 HD1 HIS 35 HD1 HIS 35 7.574 3.202 -5.517 257 HD2 HIS 35 HD2 HIS 35 3.451 3.621 -5.818 258 HE1 HIS 35 HE1 HIS 35 6.611 1.093 -4.542 259 H THR 36 H THR 36 5.043 8.221 -6.177 260 HA THR 36 HA THR 36 6.815 9.394 -8.092 261 HB THR 36 HB THR 36 5.178 11.213 -8.229 262 HG1 THR 36 HG1 THR 36 3.518 11.370 -6.799 263 HG21 THR 36 3HG2 THR 36 3.746 9.971 -9.444 264 HG22 THR 36 1HG2 THR 36 3.326 8.940 -8.076 265 HG23 THR 36 2HG2 THR 36 4.795 8.625 -9.000 266 H GLY 37 H GLY 37 8.740 9.910 -7.057 267 HA2 GLY 37 1HA GLY 37 8.575 11.865 -4.860 268 HA3 GLY 37 2HA GLY 37 9.973 10.865 -5.226 269 H GLU 38 H GLU 38 8.833 13.931 -5.350 270 HA GLU 38 HA GLU 38 9.747 14.815 -7.887 271 HB2 GLU 38 1HB GLU 38 9.540 17.067 -6.966 272 HB3 GLU 38 2HB GLU 38 8.133 16.095 -6.555 273 HG2 GLU 38 1HG GLU 38 8.865 15.826 -4.316 274 HG3 GLU 38 2HG GLU 38 10.448 16.508 -4.685 275 H LYS 39 H LYS 39 11.272 14.391 -4.767 276 HA LYS 39 HA LYS 39 13.704 15.737 -5.589 277 HB2 LYS 39 1HB LYS 39 12.858 15.844 -3.246 278 HB3 LYS 39 2HB LYS 39 13.166 14.119 -3.093 279 HG2 LYS 39 1HG LYS 39 15.455 14.391 -3.085 280 HG3 LYS 39 2HG LYS 39 15.377 15.950 -3.909 281 HD2 LYS 39 1HD LYS 39 14.136 15.700 -1.213 282 HD3 LYS 39 2HD LYS 39 15.896 15.784 -1.327 283 HE2 LYS 39 1HE LYS 39 15.057 18.005 -1.024 284 HE3 LYS 39 2HE LYS 39 15.642 17.858 -2.680 285 HZ1 LYS 39 3HZ LYS 39 13.470 17.764 -3.508 286 HZ2 LYS 39 1HZ LYS 39 13.422 18.992 -2.345 287 HZ3 LYS 39 2HZ LYS 39 12.794 17.463 -1.987 288 H LEU 40 H LEU 40 15.598 14.786 -6.176 289 HA LEU 40 HA LEU 40 15.694 12.443 -7.546 290 HB2 LEU 40 1HB LEU 40 17.803 13.912 -6.011 291 HB3 LEU 40 2HB LEU 40 18.187 12.408 -6.846 292 HG LEU 40 HG LEU 40 17.290 13.539 -8.948 293 HD11 LEU 40 1HD1 LEU 40 17.418 16.006 -8.921 294 HD12 LEU 40 2HD1 LEU 40 17.584 15.952 -7.167 295 HD13 LEU 40 3HD1 LEU 40 16.104 15.371 -7.930 296 HD21 LEU 40 3HD2 LEU 40 19.778 14.604 -7.616 297 HD22 LEU 40 1HD2 LEU 40 19.415 14.706 -9.339 298 HD23 LEU 40 2HD2 LEU 40 19.655 13.132 -8.581 299 H SER 41 H SER 41 16.758 12.799 -4.158 300 HA SER 41 HA SER 41 16.242 9.918 -3.804 301 HB2 SER 41 1HB SER 41 18.447 11.671 -2.776 302 HB3 SER 41 2HB SER 41 17.951 10.260 -1.841 303 HG SER 41 HG SER 41 19.611 9.712 -3.277 304 H GLY 42 H GLY 42 16.178 9.539 -1.218 305 HA2 GLY 42 1HA GLY 42 14.817 11.575 0.266 306 HA3 GLY 42 2HA GLY 42 13.710 10.351 -0.336 307 HA PRO 43 HA PRO 43 14.667 7.616 2.949 308 HB2 PRO 43 1HB PRO 43 15.090 5.215 1.755 309 HB3 PRO 43 2HB PRO 43 13.493 5.964 1.868 310 HG2 PRO 43 1HG PRO 43 15.409 5.926 -0.432 311 HG3 PRO 43 2HG PRO 43 13.651 5.691 -0.436 312 HD2 PRO 43 1HD PRO 43 14.809 8.040 -1.125 313 HD3 PRO 43 2HD PRO 43 13.222 7.953 -0.333 314 H SER 44 H SER 44 16.675 8.662 3.530 315 HA SER 44 HA SER 44 19.145 7.588 2.467 316 HB2 SER 44 1HB SER 44 19.204 9.918 2.953 317 HB3 SER 44 2HB SER 44 18.526 9.672 4.562 318 HG SER 44 HG SER 44 20.457 8.634 5.151 319 H SER 45 H SER 45 17.717 7.834 5.728 320 HA SER 45 HA SER 45 19.367 5.553 6.556 321 HB2 SER 45 1HB SER 45 19.402 7.705 7.886 322 HB3 SER 45 2HB SER 45 17.729 7.369 8.334 323 HG SER 45 HG SER 45 18.867 5.176 8.900 324 H GLY 46 H GLY 46 18.276 3.757 5.903 325 HA2 GLY 46 1HA GLY 46 15.654 3.325 7.170 326 HA3 GLY 46 2HA GLY 46 15.855 2.985 5.457 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 12.050 -21.541 -3.826 2 HA2 GLY 1 1HA GLY 1 12.935 -21.312 -6.482 3 HA3 GLY 1 2HA GLY 1 12.029 -22.810 -6.332 4 H SER 2 H SER 2 9.811 -22.668 -5.543 5 HA SER 2 HA SER 2 8.513 -20.289 -6.624 6 HB2 SER 2 1HB SER 2 7.520 -23.038 -5.881 7 HB3 SER 2 2HB SER 2 6.412 -21.719 -6.258 8 HG SER 2 HG SER 2 7.151 -23.192 -8.034 9 H SER 3 H SER 3 8.952 -18.821 -4.940 10 HA SER 3 HA SER 3 7.970 -19.410 -2.272 11 HB2 SER 3 1HB SER 3 8.944 -17.295 -1.630 12 HB3 SER 3 2HB SER 3 10.100 -18.147 -2.653 13 HG SER 3 HG SER 3 9.587 -16.807 -4.338 14 H GLY 4 H GLY 4 7.232 -17.179 -4.932 15 HA2 GLY 4 1HA GLY 4 5.308 -16.041 -5.455 16 HA3 GLY 4 2HA GLY 4 4.460 -17.188 -4.428 17 H SER 5 H SER 5 4.735 -14.054 -4.881 18 HA SER 5 HA SER 5 4.789 -13.376 -2.015 19 HB2 SER 5 1HB SER 5 5.247 -11.046 -2.765 20 HB3 SER 5 2HB SER 5 6.496 -12.184 -3.270 21 HG SER 5 HG SER 5 5.616 -10.625 -4.888 22 H SER 6 H SER 6 2.682 -13.713 -1.446 23 HA SER 6 HA SER 6 0.746 -11.831 -2.571 24 HB2 SER 6 1HB SER 6 0.184 -13.779 -3.807 25 HB3 SER 6 2HB SER 6 0.371 -14.820 -2.397 26 HG SER 6 HG SER 6 -1.805 -14.478 -2.714 27 H GLY 7 H GLY 7 -1.116 -11.475 -1.186 28 HA2 GLY 7 1HA GLY 7 -0.437 -11.963 1.643 29 HA3 GLY 7 2HA GLY 7 -1.359 -10.587 1.055 30 H SER 8 H SER 8 -3.535 -10.917 0.365 31 HA SER 8 HA SER 8 -4.763 -13.489 0.926 32 HB2 SER 8 1HB SER 8 -5.367 -10.995 2.517 33 HB3 SER 8 2HB SER 8 -6.490 -12.351 2.416 34 HG SER 8 HG SER 8 -4.125 -13.354 3.002 35 H GLY 9 H GLY 9 -6.767 -13.770 -0.059 36 HA2 GLY 9 1HA GLY 9 -8.205 -13.492 -1.841 37 HA3 GLY 9 2HA GLY 9 -8.507 -11.936 -1.081 38 H GLU 10 H GLU 10 -8.923 -11.196 -3.274 39 HA GLU 10 HA GLU 10 -6.468 -10.210 -4.500 40 HB2 GLU 10 1HB GLU 10 -7.421 -12.416 -5.595 41 HB3 GLU 10 2HB GLU 10 -8.551 -11.298 -6.345 42 HG2 GLU 10 1HG GLU 10 -6.466 -11.884 -7.656 43 HG3 GLU 10 2HG GLU 10 -6.856 -10.172 -7.495 44 H LYS 11 H LYS 11 -6.662 -8.196 -5.344 45 HA LYS 11 HA LYS 11 -9.327 -6.957 -5.184 46 HB2 LYS 11 1HB LYS 11 -6.555 -5.871 -4.770 47 HB3 LYS 11 2HB LYS 11 -7.898 -4.797 -5.139 48 HG2 LYS 11 1HG LYS 11 -8.888 -5.106 -3.113 49 HG3 LYS 11 2HG LYS 11 -8.245 -6.739 -2.923 50 HD2 LYS 11 1HD LYS 11 -5.951 -5.569 -2.732 51 HD3 LYS 11 2HD LYS 11 -6.894 -4.108 -2.429 52 HE2 LYS 11 1HE LYS 11 -8.117 -5.704 -0.704 53 HE3 LYS 11 2HE LYS 11 -6.572 -6.551 -0.765 54 HZ1 LYS 11 3HZ LYS 11 -5.996 -5.081 0.804 55 HZ2 LYS 11 1HZ LYS 11 -7.228 -3.992 0.407 56 HZ3 LYS 11 2HZ LYS 11 -5.790 -4.003 -0.483 57 HA PRO 12 HA PRO 12 -9.380 -6.092 -9.486 58 HB2 PRO 12 1HB PRO 12 -10.574 -3.655 -9.548 59 HB3 PRO 12 2HB PRO 12 -11.447 -5.142 -9.160 60 HG2 PRO 12 1HG PRO 12 -10.343 -3.058 -7.317 61 HG3 PRO 12 2HG PRO 12 -11.906 -3.894 -7.253 62 HD2 PRO 12 1HD PRO 12 -9.810 -4.603 -5.692 63 HD3 PRO 12 2HD PRO 12 -11.000 -5.779 -6.285 64 H TYR 13 H TYR 13 -8.467 -3.175 -7.639 65 HA TYR 13 HA TYR 13 -6.704 -2.345 -9.803 66 HB2 TYR 13 1HB TYR 13 -7.160 -0.924 -7.181 67 HB3 TYR 13 2HB TYR 13 -6.540 -0.246 -8.682 68 HD1 TYR 13 HD1 TYR 13 -8.077 0.101 -10.606 69 HD2 TYR 13 HD2 TYR 13 -9.502 -1.104 -6.782 70 HE1 TYR 13 HE1 TYR 13 -10.354 0.773 -11.249 71 HE2 TYR 13 HE2 TYR 13 -11.783 -0.436 -7.415 72 HH TYR 13 HH TYR 13 -12.826 -0.033 -10.376 73 H LYS 14 H LYS 14 -4.516 -2.334 -9.721 74 HA LYS 14 HA LYS 14 -3.178 -3.034 -7.217 75 HB2 LYS 14 1HB LYS 14 -2.846 -4.542 -9.815 76 HB3 LYS 14 2HB LYS 14 -1.768 -4.706 -8.434 77 HG2 LYS 14 1HG LYS 14 -3.312 -5.849 -7.187 78 HG3 LYS 14 2HG LYS 14 -4.686 -5.136 -8.035 79 HD2 LYS 14 1HD LYS 14 -4.407 -6.550 -9.895 80 HD3 LYS 14 2HD LYS 14 -2.780 -7.021 -9.396 81 HE2 LYS 14 1HE LYS 14 -3.710 -8.204 -7.472 82 HE3 LYS 14 2HE LYS 14 -5.336 -7.714 -7.948 83 HZ1 LYS 14 3HZ LYS 14 -4.050 -8.963 -10.123 84 HZ2 LYS 14 1HZ LYS 14 -5.451 -9.441 -9.305 85 HZ3 LYS 14 2HZ LYS 14 -3.937 -9.967 -8.766 86 H CYS 15 H CYS 15 -1.218 -2.086 -6.957 87 HA CYS 15 HA CYS 15 -0.518 0.086 -8.621 88 HB2 CYS 15 1HB CYS 15 -0.008 -0.157 -6.155 89 HB3 CYS 15 2HB CYS 15 1.283 -1.266 -6.608 90 H VAL 16 H VAL 16 1.546 0.395 -9.728 91 HA VAL 16 HA VAL 16 2.371 -2.064 -11.116 92 HB VAL 16 HB VAL 16 1.387 -0.215 -12.495 93 HG11 VAL 16 1HG1 VAL 16 2.113 1.779 -11.569 94 HG12 VAL 16 2HG1 VAL 16 3.778 1.218 -11.410 95 HG13 VAL 16 3HG1 VAL 16 3.134 1.633 -12.999 96 HG21 VAL 16 3HG2 VAL 16 4.227 -1.069 -13.032 97 HG22 VAL 16 1HG2 VAL 16 2.747 -1.862 -13.572 98 HG23 VAL 16 2HG2 VAL 16 3.190 -0.284 -14.223 99 H GLU 17 H GLU 17 3.436 0.389 -8.991 100 HA GLU 17 HA GLU 17 6.240 0.154 -9.616 101 HB2 GLU 17 1HB GLU 17 4.817 1.461 -7.291 102 HB3 GLU 17 2HB GLU 17 6.547 1.560 -7.586 103 HG2 GLU 17 1HG GLU 17 5.915 3.504 -8.550 104 HG3 GLU 17 2HG GLU 17 5.720 2.440 -9.941 105 H CYS 18 H CYS 18 4.181 -0.786 -6.865 106 HA CYS 18 HA CYS 18 6.275 -2.682 -6.042 107 HB2 CYS 18 1HB CYS 18 5.096 -2.683 -3.835 108 HB3 CYS 18 2HB CYS 18 5.758 -1.116 -4.289 109 H GLY 19 H GLY 19 2.838 -2.346 -6.745 110 HA2 GLY 19 1HA GLY 19 1.666 -4.119 -7.867 111 HA3 GLY 19 2HA GLY 19 2.706 -5.272 -7.045 112 H LYS 20 H LYS 20 1.533 -2.694 -5.125 113 HA LYS 20 HA LYS 20 0.198 -4.418 -3.336 114 HB2 LYS 20 1HB LYS 20 1.218 -2.056 -2.954 115 HB3 LYS 20 2HB LYS 20 -0.357 -1.470 -3.474 116 HG2 LYS 20 1HG LYS 20 -0.444 -1.536 -1.131 117 HG3 LYS 20 2HG LYS 20 -1.351 -2.949 -1.677 118 HD2 LYS 20 1HD LYS 20 -0.040 -3.843 0.003 119 HD3 LYS 20 2HD LYS 20 0.934 -4.174 -1.431 120 HE2 LYS 20 1HE LYS 20 2.541 -3.274 -0.087 121 HE3 LYS 20 2HE LYS 20 1.944 -1.800 -0.846 122 HZ1 LYS 20 3HZ LYS 20 0.574 -2.620 1.579 123 HZ2 LYS 20 1HZ LYS 20 1.039 -1.076 1.065 124 HZ3 LYS 20 2HZ LYS 20 2.173 -2.106 1.781 125 H GLY 21 H GLY 21 -2.035 -4.556 -2.817 126 HA2 GLY 21 1HA GLY 21 -3.782 -3.988 -5.129 127 HA3 GLY 21 2HA GLY 21 -4.002 -5.340 -4.028 128 H TYR 22 H TYR 22 -5.520 -2.732 -4.887 129 HA TYR 22 HA TYR 22 -6.398 -2.088 -2.152 130 HB2 TYR 22 1HB TYR 22 -5.895 -0.215 -4.458 131 HB3 TYR 22 2HB TYR 22 -6.937 0.229 -3.110 132 HD1 TYR 22 HD2 TYR 22 -3.476 -0.697 -4.032 133 HD2 TYR 22 HD1 TYR 22 -6.025 0.921 -1.033 134 HE1 TYR 22 HE2 TYR 22 -1.504 0.023 -2.753 135 HE2 TYR 22 HE1 TYR 22 -4.059 1.647 0.254 136 HH TYR 22 HH TYR 22 -1.423 2.225 -0.584 137 H LYS 23 H LYS 23 -8.504 -2.348 -1.796 138 HA LYS 23 HA LYS 23 -10.237 -3.564 -3.563 139 HB2 LYS 23 1HB LYS 23 -10.922 -1.747 -1.245 140 HB3 LYS 23 2HB LYS 23 -12.055 -2.830 -2.043 141 HG2 LYS 23 1HG LYS 23 -10.986 -4.741 -1.224 142 HG3 LYS 23 2HG LYS 23 -9.524 -3.847 -0.799 143 HD2 LYS 23 1HD LYS 23 -11.234 -2.533 0.747 144 HD3 LYS 23 2HD LYS 23 -12.118 -4.056 0.638 145 HE2 LYS 23 1HE LYS 23 -10.357 -5.270 1.611 146 HE3 LYS 23 2HE LYS 23 -9.204 -3.961 1.357 147 HZ1 LYS 23 3HZ LYS 23 -10.142 -4.323 3.696 148 HZ2 LYS 23 1HZ LYS 23 -11.547 -3.585 3.109 149 HZ3 LYS 23 2HZ LYS 23 -10.082 -2.741 3.101 150 H ARG 24 H ARG 24 -9.842 -0.106 -2.905 151 HA ARG 24 HA ARG 24 -11.520 0.453 -5.262 152 HB2 ARG 24 1HB ARG 24 -12.550 1.304 -3.232 153 HB3 ARG 24 2HB ARG 24 -11.066 2.141 -2.797 154 HG2 ARG 24 1HG ARG 24 -11.311 3.515 -4.856 155 HG3 ARG 24 2HG ARG 24 -12.879 2.750 -5.119 156 HD2 ARG 24 1HD ARG 24 -13.254 3.527 -2.612 157 HD3 ARG 24 2HD ARG 24 -12.040 4.723 -3.063 158 HE ARG 24 HE ARG 24 -13.670 5.808 -4.216 159 HH11 ARG 24 1HH1 ARG 24 -14.547 2.446 -3.993 160 HH12 ARG 24 2HH1 ARG 24 -16.068 2.655 -4.797 161 HH21 ARG 24 1HH2 ARG 24 -15.670 6.095 -5.276 162 HH22 ARG 24 2HH2 ARG 24 -16.705 4.731 -5.527 163 H ARG 25 H ARG 25 -10.747 1.798 -6.829 164 HA ARG 25 HA ARG 25 -8.005 2.018 -7.227 165 HB2 ARG 25 1HB ARG 25 -9.959 2.271 -8.902 166 HB3 ARG 25 2HB ARG 25 -9.952 3.965 -8.431 167 HG2 ARG 25 1HG ARG 25 -7.794 4.308 -9.291 168 HG3 ARG 25 2HG ARG 25 -7.482 2.575 -9.414 169 HD2 ARG 25 1HD ARG 25 -9.071 2.357 -11.199 170 HD3 ARG 25 2HD ARG 25 -9.592 4.030 -10.998 171 HE ARG 25 HE ARG 25 -6.807 3.851 -11.566 172 HH11 ARG 25 1HH1 ARG 25 -9.968 3.728 -13.019 173 HH12 ARG 25 2HH1 ARG 25 -9.416 4.250 -14.576 174 HH21 ARG 25 1HH2 ARG 25 -6.067 4.539 -13.611 175 HH22 ARG 25 2HH2 ARG 25 -7.196 4.710 -14.912 176 H LEU 26 H LEU 26 -10.262 4.652 -6.385 177 HA LEU 26 HA LEU 26 -8.686 6.782 -6.096 178 HB2 LEU 26 1HB LEU 26 -11.135 6.441 -5.386 179 HB3 LEU 26 2HB LEU 26 -10.472 6.040 -3.803 180 HG LEU 26 HG LEU 26 -11.206 8.337 -3.829 181 HD11 LEU 26 1HD1 LEU 26 -8.241 8.589 -3.994 182 HD12 LEU 26 2HD1 LEU 26 -8.955 7.546 -2.765 183 HD13 LEU 26 3HD1 LEU 26 -9.366 9.260 -2.813 184 HD21 LEU 26 3HD2 LEU 26 -9.421 9.677 -5.485 185 HD22 LEU 26 1HD2 LEU 26 -11.149 9.451 -5.753 186 HD23 LEU 26 2HD2 LEU 26 -9.993 8.317 -6.452 187 H ASP 27 H ASP 27 -8.851 4.143 -3.734 188 HA ASP 27 HA ASP 27 -7.111 5.206 -1.826 189 HB2 ASP 27 1HB ASP 27 -8.595 3.059 -1.775 190 HB3 ASP 27 2HB ASP 27 -7.161 2.266 -2.423 191 H LEU 28 H LEU 28 -6.369 2.899 -4.444 192 HA LEU 28 HA LEU 28 -3.594 2.865 -4.030 193 HB2 LEU 28 1HB LEU 28 -4.484 1.120 -5.309 194 HB3 LEU 28 2HB LEU 28 -5.340 2.226 -6.381 195 HG LEU 28 HG LEU 28 -2.840 2.940 -6.977 196 HD11 LEU 28 1HD1 LEU 28 -1.350 1.057 -7.004 197 HD12 LEU 28 2HD1 LEU 28 -2.584 0.016 -6.296 198 HD13 LEU 28 3HD1 LEU 28 -1.891 1.331 -5.347 199 HD21 LEU 28 3HD2 LEU 28 -4.733 0.960 -8.056 200 HD22 LEU 28 1HD2 LEU 28 -3.079 0.839 -8.654 201 HD23 LEU 28 2HD2 LEU 28 -3.972 2.350 -8.832 202 H ASP 29 H ASP 29 -5.578 4.772 -6.277 203 HA ASP 29 HA ASP 29 -3.653 6.107 -7.688 204 HB2 ASP 29 1HB ASP 29 -6.401 6.793 -6.790 205 HB3 ASP 29 2HB ASP 29 -5.408 8.116 -7.395 206 H PHE 30 H PHE 30 -4.694 6.698 -4.386 207 HA PHE 30 HA PHE 30 -3.125 9.099 -4.113 208 HB2 PHE 30 1HB PHE 30 -5.305 8.316 -2.826 209 HB3 PHE 30 2HB PHE 30 -4.126 7.589 -1.740 210 HD1 PHE 30 HD1 PHE 30 -2.489 9.020 -0.562 211 HD2 PHE 30 HD2 PHE 30 -5.671 10.655 -2.867 212 HE1 PHE 30 HE1 PHE 30 -2.182 11.189 0.558 213 HE2 PHE 30 HE2 PHE 30 -5.369 12.827 -1.752 214 HZ PHE 30 HZ PHE 30 -3.621 13.096 -0.037 215 H HIS 31 H HIS 31 -2.630 5.716 -3.717 216 HA HIS 31 HA HIS 31 -0.455 5.854 -1.879 217 HB2 HIS 31 1HB HIS 31 -1.363 3.740 -1.889 218 HB3 HIS 31 2HB HIS 31 -1.652 3.754 -3.626 219 HD1 HIS 31 HD1 HIS 31 1.177 3.315 -1.152 220 HD2 HIS 31 HD2 HIS 31 0.264 2.500 -5.122 221 HE1 HIS 31 HE1 HIS 31 3.067 1.887 -1.997 222 H GLN 32 H GLN 32 -0.652 5.479 -5.410 223 HA GLN 32 HA GLN 32 1.966 5.179 -6.087 224 HB2 GLN 32 1HB GLN 32 -0.222 6.758 -7.415 225 HB3 GLN 32 2HB GLN 32 1.379 6.637 -8.131 226 HG2 GLN 32 1HG GLN 32 1.182 4.331 -8.465 227 HG3 GLN 32 2HG GLN 32 -0.187 4.202 -7.362 228 HE21 GLN 32 1HE2 GLN 32 -1.729 3.415 -8.659 229 HE22 GLN 32 2HE2 GLN 32 -2.297 4.183 -10.098 230 H ARG 33 H ARG 33 0.461 8.004 -4.754 231 HA ARG 33 HA ARG 33 2.138 10.047 -5.496 232 HB2 ARG 33 1HB ARG 33 0.859 9.523 -2.810 233 HB3 ARG 33 2HB ARG 33 1.644 11.038 -3.238 234 HG2 ARG 33 1HG ARG 33 0.042 11.345 -5.064 235 HG3 ARG 33 2HG ARG 33 -0.752 9.836 -4.610 236 HD2 ARG 33 1HD ARG 33 -2.043 11.525 -3.615 237 HD3 ARG 33 2HD ARG 33 -1.054 10.876 -2.307 238 HE ARG 33 HE ARG 33 -0.869 13.515 -3.496 239 HH11 ARG 33 1HH1 ARG 33 0.595 11.109 -1.449 240 HH12 ARG 33 2HH1 ARG 33 1.613 12.243 -0.624 241 HH21 ARG 33 1HH2 ARG 33 0.466 15.017 -2.417 242 HH22 ARG 33 2HH2 ARG 33 1.538 14.465 -1.175 243 H VAL 34 H VAL 34 2.639 7.670 -2.913 244 HA VAL 34 HA VAL 34 5.037 8.729 -1.905 245 HB VAL 34 HB VAL 34 5.421 6.554 -0.894 246 HG11 VAL 34 1HG1 VAL 34 2.481 7.226 -0.866 247 HG12 VAL 34 2HG1 VAL 34 3.374 6.351 0.380 248 HG13 VAL 34 3HG1 VAL 34 3.720 8.054 0.076 249 HG21 VAL 34 3HG2 VAL 34 3.335 4.921 -1.537 250 HG22 VAL 34 1HG2 VAL 34 3.706 5.660 -3.095 251 HG23 VAL 34 2HG2 VAL 34 4.961 4.793 -2.210 252 H HIS 35 H HIS 35 4.371 6.597 -4.609 253 HA HIS 35 HA HIS 35 7.072 5.813 -5.058 254 HB2 HIS 35 1HB HIS 35 4.558 5.695 -6.704 255 HB3 HIS 35 2HB HIS 35 6.113 5.240 -7.394 256 HD1 HIS 35 HD1 HIS 35 7.421 3.375 -5.729 257 HD2 HIS 35 HD2 HIS 35 3.272 3.573 -5.656 258 HE1 HIS 35 HE1 HIS 35 6.660 1.176 -4.777 259 H THR 36 H THR 36 5.023 8.410 -6.261 260 HA THR 36 HA THR 36 7.135 9.371 -8.025 261 HB THR 36 HB THR 36 4.885 9.446 -8.922 262 HG1 THR 36 HG1 THR 36 6.425 11.677 -8.560 263 HG21 THR 36 3HG2 THR 36 4.228 11.277 -6.611 264 HG22 THR 36 1HG2 THR 36 3.663 9.618 -6.798 265 HG23 THR 36 2HG2 THR 36 3.150 10.858 -7.942 266 H GLY 37 H GLY 37 8.574 10.851 -7.424 267 HA2 GLY 37 1HA GLY 37 8.647 13.196 -6.434 268 HA3 GLY 37 2HA GLY 37 8.010 12.421 -4.991 269 H GLU 38 H GLU 38 9.542 12.282 -3.501 270 HA GLU 38 HA GLU 38 12.203 11.335 -4.331 271 HB2 GLU 38 1HB GLU 38 11.470 13.681 -2.635 272 HB3 GLU 38 2HB GLU 38 12.934 12.788 -2.245 273 HG2 GLU 38 1HG GLU 38 12.283 14.198 -4.818 274 HG3 GLU 38 2HG GLU 38 13.526 14.621 -3.642 275 H LYS 39 H LYS 39 11.655 9.224 -3.712 276 HA LYS 39 HA LYS 39 11.202 8.822 -0.831 277 HB2 LYS 39 1HB LYS 39 9.481 7.897 -2.386 278 HB3 LYS 39 2HB LYS 39 10.721 6.862 -3.081 279 HG2 LYS 39 1HG LYS 39 10.926 5.600 -1.117 280 HG3 LYS 39 2HG LYS 39 10.069 6.805 -0.154 281 HD2 LYS 39 1HD LYS 39 7.997 6.197 -1.008 282 HD3 LYS 39 2HD LYS 39 8.698 5.449 -2.445 283 HE2 LYS 39 1HE LYS 39 9.742 3.767 -0.804 284 HE3 LYS 39 2HE LYS 39 8.577 4.392 0.362 285 HZ1 LYS 39 3HZ LYS 39 7.538 3.615 -2.248 286 HZ2 LYS 39 1HZ LYS 39 6.850 3.439 -0.712 287 HZ3 LYS 39 2HZ LYS 39 8.045 2.361 -1.232 288 H LEU 40 H LEU 40 12.776 7.115 -3.544 289 HA LEU 40 HA LEU 40 14.886 6.277 -1.673 290 HB2 LEU 40 1HB LEU 40 15.393 4.533 -3.365 291 HB3 LEU 40 2HB LEU 40 13.787 4.403 -2.653 292 HG LEU 40 HG LEU 40 13.091 5.741 -4.818 293 HD11 LEU 40 1HD1 LEU 40 14.778 6.081 -6.226 294 HD12 LEU 40 2HD1 LEU 40 14.757 4.345 -6.533 295 HD13 LEU 40 3HD1 LEU 40 15.849 5.012 -5.319 296 HD21 LEU 40 3HD2 LEU 40 12.592 3.320 -3.988 297 HD22 LEU 40 1HD2 LEU 40 13.745 2.859 -5.240 298 HD23 LEU 40 2HD2 LEU 40 12.289 3.756 -5.670 299 H SER 41 H SER 41 17.050 6.536 -2.199 300 HA SER 41 HA SER 41 17.628 8.763 -3.923 301 HB2 SER 41 1HB SER 41 18.753 8.125 -1.660 302 HB3 SER 41 2HB SER 41 19.736 7.043 -2.646 303 HG SER 41 HG SER 41 19.893 9.734 -2.363 304 H GLY 42 H GLY 42 19.953 8.345 -5.126 305 HA2 GLY 42 1HA GLY 42 20.301 5.887 -6.458 306 HA3 GLY 42 2HA GLY 42 19.301 6.933 -7.455 307 HA PRO 43 HA PRO 43 22.752 9.210 -8.922 308 HB2 PRO 43 1HB PRO 43 22.222 11.823 -8.411 309 HB3 PRO 43 2HB PRO 43 21.353 10.888 -9.634 310 HG2 PRO 43 1HG PRO 43 20.534 11.572 -6.837 311 HG3 PRO 43 2HG PRO 43 19.569 11.599 -8.324 312 HD2 PRO 43 1HD PRO 43 19.436 9.568 -6.539 313 HD3 PRO 43 2HD PRO 43 19.209 9.323 -8.282 314 H SER 44 H SER 44 22.285 8.940 -5.675 315 HA SER 44 HA SER 44 23.704 10.675 -4.239 316 HB2 SER 44 1HB SER 44 23.722 7.678 -4.177 317 HB3 SER 44 2HB SER 44 24.777 8.574 -3.085 318 HG SER 44 HG SER 44 22.785 8.185 -2.095 319 H SER 45 H SER 45 25.716 11.477 -4.065 320 HA SER 45 HA SER 45 27.527 11.594 -6.039 321 HB2 SER 45 1HB SER 45 27.946 11.634 -3.061 322 HB3 SER 45 2HB SER 45 29.306 11.838 -4.164 323 HG SER 45 HG SER 45 27.896 13.536 -5.148 324 H GLY 46 H GLY 46 27.831 9.253 -3.357 325 HA2 GLY 46 1HA GLY 46 29.246 7.467 -5.236 326 HA3 GLY 46 2HA GLY 46 29.833 7.724 -3.600 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 11.338 -15.928 3.338 2 HA2 GLY 1 1HA GLY 1 11.111 -17.929 5.500 3 HA3 GLY 1 2HA GLY 1 10.241 -16.403 5.479 4 H SER 2 H SER 2 8.151 -16.918 5.336 5 HA SER 2 HA SER 2 7.190 -19.210 3.947 6 HB2 SER 2 1HB SER 2 4.957 -18.346 4.479 7 HB3 SER 2 2HB SER 2 6.010 -18.256 5.891 8 HG SER 2 HG SER 2 4.640 -16.306 4.863 9 H SER 3 H SER 3 7.592 -19.236 1.797 10 HA SER 3 HA SER 3 7.279 -16.912 0.143 11 HB2 SER 3 1HB SER 3 7.870 -19.813 -0.424 12 HB3 SER 3 2HB SER 3 7.609 -18.650 -1.724 13 HG SER 3 HG SER 3 9.436 -17.630 -1.207 14 H GLY 4 H GLY 4 5.703 -16.513 -1.411 15 HA2 GLY 4 1HA GLY 4 3.650 -16.658 -2.456 16 HA3 GLY 4 2HA GLY 4 3.514 -18.305 -1.860 17 H SER 5 H SER 5 2.609 -15.028 -1.405 18 HA SER 5 HA SER 5 1.058 -15.797 0.981 19 HB2 SER 5 1HB SER 5 2.814 -14.171 1.547 20 HB3 SER 5 2HB SER 5 2.195 -13.069 0.317 21 HG SER 5 HG SER 5 1.458 -12.644 2.500 22 H SER 6 H SER 6 -1.068 -15.742 0.730 23 HA SER 6 HA SER 6 -2.319 -13.743 -0.959 24 HB2 SER 6 1HB SER 6 -2.784 -16.686 -1.495 25 HB3 SER 6 2HB SER 6 -3.533 -15.331 -2.339 26 HG SER 6 HG SER 6 -1.233 -14.740 -2.827 27 H GLY 7 H GLY 7 -4.798 -14.092 -0.911 28 HA2 GLY 7 1HA GLY 7 -5.613 -15.207 1.692 29 HA3 GLY 7 2HA GLY 7 -6.053 -13.560 1.263 30 H SER 8 H SER 8 -8.246 -14.432 1.670 31 HA SER 8 HA SER 8 -9.282 -16.098 -0.503 32 HB2 SER 8 1HB SER 8 -11.381 -16.114 0.909 33 HB3 SER 8 2HB SER 8 -9.969 -16.856 1.662 34 HG SER 8 HG SER 8 -10.046 -15.400 3.169 35 H GLY 9 H GLY 9 -8.518 -13.577 -1.317 36 HA2 GLY 9 1HA GLY 9 -10.659 -12.650 -2.763 37 HA3 GLY 9 2HA GLY 9 -10.706 -11.730 -1.267 38 H GLU 10 H GLU 10 -9.530 -11.786 -4.370 39 HA GLU 10 HA GLU 10 -7.158 -10.187 -3.768 40 HB2 GLU 10 1HB GLU 10 -8.201 -11.484 -6.275 41 HB3 GLU 10 2HB GLU 10 -6.912 -10.290 -6.328 42 HG2 GLU 10 1HG GLU 10 -6.745 -12.736 -4.603 43 HG3 GLU 10 2HG GLU 10 -6.242 -12.739 -6.292 44 H LYS 11 H LYS 11 -6.823 -8.122 -4.728 45 HA LYS 11 HA LYS 11 -9.277 -6.573 -4.912 46 HB2 LYS 11 1HB LYS 11 -6.368 -5.891 -4.624 47 HB3 LYS 11 2HB LYS 11 -7.525 -4.657 -5.105 48 HG2 LYS 11 1HG LYS 11 -7.246 -4.490 -2.758 49 HG3 LYS 11 2HG LYS 11 -8.834 -5.206 -3.043 50 HD2 LYS 11 1HD LYS 11 -7.868 -6.463 -1.295 51 HD3 LYS 11 2HD LYS 11 -7.714 -7.462 -2.742 52 HE2 LYS 11 1HE LYS 11 -5.631 -7.599 -1.646 53 HE3 LYS 11 2HE LYS 11 -5.388 -6.491 -2.995 54 HZ1 LYS 11 3HZ LYS 11 -4.565 -5.102 -1.485 55 HZ2 LYS 11 1HZ LYS 11 -5.149 -6.013 -0.185 56 HZ3 LYS 11 2HZ LYS 11 -6.150 -4.875 -0.937 57 HA PRO 12 HA PRO 12 -9.339 -6.263 -9.297 58 HB2 PRO 12 1HB PRO 12 -10.584 -3.867 -9.576 59 HB3 PRO 12 2HB PRO 12 -11.426 -5.333 -9.061 60 HG2 PRO 12 1HG PRO 12 -10.376 -3.072 -7.405 61 HG3 PRO 12 2HG PRO 12 -11.920 -3.932 -7.272 62 HD2 PRO 12 1HD PRO 12 -9.817 -4.456 -5.650 63 HD3 PRO 12 2HD PRO 12 -10.979 -5.705 -6.139 64 H TYR 13 H TYR 13 -8.327 -3.315 -7.576 65 HA TYR 13 HA TYR 13 -6.623 -2.592 -9.845 66 HB2 TYR 13 1HB TYR 13 -7.095 -0.949 -7.360 67 HB3 TYR 13 2HB TYR 13 -6.512 -0.402 -8.929 68 HD1 TYR 13 HD1 TYR 13 -8.072 -0.168 -10.819 69 HD2 TYR 13 HD2 TYR 13 -9.440 -1.231 -6.933 70 HE1 TYR 13 HE1 TYR 13 -10.372 0.399 -11.481 71 HE2 TYR 13 HE2 TYR 13 -11.744 -0.668 -7.584 72 HH TYR 13 HH TYR 13 -12.578 0.128 -10.890 73 H LYS 14 H LYS 14 -4.419 -2.365 -9.684 74 HA LYS 14 HA LYS 14 -3.122 -2.946 -7.133 75 HB2 LYS 14 1HB LYS 14 -2.534 -4.499 -9.661 76 HB3 LYS 14 2HB LYS 14 -1.669 -4.649 -8.136 77 HG2 LYS 14 1HG LYS 14 -3.072 -6.416 -7.929 78 HG3 LYS 14 2HG LYS 14 -4.105 -5.166 -7.233 79 HD2 LYS 14 1HD LYS 14 -5.508 -5.132 -9.034 80 HD3 LYS 14 2HD LYS 14 -4.236 -5.585 -10.170 81 HE2 LYS 14 1HE LYS 14 -4.351 -7.862 -9.528 82 HE3 LYS 14 2HE LYS 14 -5.345 -7.488 -8.120 83 HZ1 LYS 14 3HZ LYS 14 -7.174 -6.956 -9.515 84 HZ2 LYS 14 1HZ LYS 14 -6.576 -8.450 -10.036 85 HZ3 LYS 14 2HZ LYS 14 -6.231 -7.049 -10.917 86 H CYS 15 H CYS 15 -1.086 -2.066 -6.918 87 HA CYS 15 HA CYS 15 -0.468 0.143 -8.589 88 HB2 CYS 15 1HB CYS 15 0.058 -0.097 -6.114 89 HB3 CYS 15 2HB CYS 15 1.392 -1.142 -6.590 90 H VAL 16 H VAL 16 1.469 0.488 -9.815 91 HA VAL 16 HA VAL 16 2.396 -1.972 -11.129 92 HB VAL 16 HB VAL 16 1.308 -0.200 -12.531 93 HG11 VAL 16 1HG1 VAL 16 2.388 1.851 -12.983 94 HG12 VAL 16 2HG1 VAL 16 2.379 1.689 -11.226 95 HG13 VAL 16 3HG1 VAL 16 3.852 1.353 -12.136 96 HG21 VAL 16 3HG2 VAL 16 2.809 -0.456 -14.356 97 HG22 VAL 16 1HG2 VAL 16 4.188 -0.665 -13.276 98 HG23 VAL 16 2HG2 VAL 16 2.947 -1.915 -13.375 99 H GLU 17 H GLU 17 3.385 0.428 -8.973 100 HA GLU 17 HA GLU 17 6.189 0.368 -9.691 101 HB2 GLU 17 1HB GLU 17 4.611 1.702 -7.507 102 HB3 GLU 17 2HB GLU 17 6.368 1.674 -7.470 103 HG2 GLU 17 1HG GLU 17 4.870 2.687 -9.857 104 HG3 GLU 17 2HG GLU 17 5.215 3.720 -8.470 105 H CYS 18 H CYS 18 4.133 -0.850 -7.072 106 HA CYS 18 HA CYS 18 6.355 -2.605 -6.252 107 HB2 CYS 18 1HB CYS 18 5.177 -2.678 -4.018 108 HB3 CYS 18 2HB CYS 18 5.885 -1.124 -4.444 109 H GLY 19 H GLY 19 2.854 -2.370 -6.712 110 HA2 GLY 19 1HA GLY 19 1.779 -4.214 -7.911 111 HA3 GLY 19 2HA GLY 19 2.802 -5.310 -6.995 112 H LYS 20 H LYS 20 1.661 -2.725 -5.136 113 HA LYS 20 HA LYS 20 0.287 -4.307 -3.313 114 HB2 LYS 20 1HB LYS 20 1.108 -1.750 -3.310 115 HB3 LYS 20 2HB LYS 20 -0.605 -1.491 -3.615 116 HG2 LYS 20 1HG LYS 20 -0.251 -1.356 -1.269 117 HG3 LYS 20 2HG LYS 20 -1.100 -2.869 -1.597 118 HD2 LYS 20 1HD LYS 20 0.521 -3.609 -0.154 119 HD3 LYS 20 2HD LYS 20 1.347 -3.835 -1.698 120 HE2 LYS 20 1HE LYS 20 2.630 -1.877 -1.409 121 HE3 LYS 20 2HE LYS 20 1.612 -1.311 -0.086 122 HZ1 LYS 20 3HZ LYS 20 2.722 -2.543 1.395 123 HZ2 LYS 20 1HZ LYS 20 3.945 -2.603 0.228 124 HZ3 LYS 20 2HZ LYS 20 2.846 -3.881 0.368 125 H GLY 21 H GLY 21 -2.074 -4.017 -2.714 126 HA2 GLY 21 1HA GLY 21 -3.754 -3.884 -5.137 127 HA3 GLY 21 2HA GLY 21 -3.908 -5.219 -4.003 128 H TYR 22 H TYR 22 -5.508 -2.656 -4.952 129 HA TYR 22 HA TYR 22 -6.520 -2.060 -2.252 130 HB2 TYR 22 1HB TYR 22 -6.025 -0.140 -4.527 131 HB3 TYR 22 2HB TYR 22 -7.070 0.250 -3.165 132 HD1 TYR 22 HD2 TYR 22 -3.593 -0.762 -4.016 133 HD2 TYR 22 HD1 TYR 22 -6.162 1.110 -1.187 134 HE1 TYR 22 HE2 TYR 22 -1.630 -0.021 -2.731 135 HE2 TYR 22 HE1 TYR 22 -4.207 1.856 0.104 136 HH TYR 22 HH TYR 22 -1.882 1.281 0.423 137 H LYS 23 H LYS 23 -8.678 -2.173 -1.992 138 HA LYS 23 HA LYS 23 -10.264 -3.378 -4.017 139 HB2 LYS 23 1HB LYS 23 -10.950 -2.187 -1.331 140 HB3 LYS 23 2HB LYS 23 -12.148 -2.946 -2.372 141 HG2 LYS 23 1HG LYS 23 -9.670 -4.346 -1.400 142 HG3 LYS 23 2HG LYS 23 -11.223 -4.404 -0.563 143 HD2 LYS 23 1HD LYS 23 -10.910 -5.181 -3.453 144 HD3 LYS 23 2HD LYS 23 -10.702 -6.333 -2.132 145 HE2 LYS 23 1HE LYS 23 -13.177 -4.653 -2.412 146 HE3 LYS 23 2HE LYS 23 -13.003 -6.204 -3.232 147 HZ1 LYS 23 3HZ LYS 23 -13.481 -7.269 -1.364 148 HZ2 LYS 23 1HZ LYS 23 -13.858 -5.783 -0.649 149 HZ3 LYS 23 2HZ LYS 23 -12.302 -6.425 -0.492 150 H ARG 24 H ARG 24 -9.676 -0.101 -3.054 151 HA ARG 24 HA ARG 24 -11.688 0.804 -5.008 152 HB2 ARG 24 1HB ARG 24 -12.512 1.574 -2.955 153 HB3 ARG 24 2HB ARG 24 -10.905 1.948 -2.345 154 HG2 ARG 24 1HG ARG 24 -12.009 4.002 -2.794 155 HG3 ARG 24 2HG ARG 24 -10.772 3.780 -4.033 156 HD2 ARG 24 1HD ARG 24 -12.866 4.592 -4.997 157 HD3 ARG 24 2HD ARG 24 -12.463 2.983 -5.595 158 HE ARG 24 HE ARG 24 -14.094 2.471 -3.500 159 HH11 ARG 24 1HH1 ARG 24 -14.366 4.522 -6.301 160 HH12 ARG 24 2HH1 ARG 24 -16.090 4.382 -6.397 161 HH21 ARG 24 1HH2 ARG 24 -16.364 2.279 -3.617 162 HH22 ARG 24 2HH2 ARG 24 -17.226 3.107 -4.870 163 H ARG 25 H ARG 25 -10.553 1.260 -6.796 164 HA ARG 25 HA ARG 25 -7.972 1.814 -7.223 165 HB2 ARG 25 1HB ARG 25 -9.845 1.774 -8.932 166 HB3 ARG 25 2HB ARG 25 -10.117 3.469 -8.550 167 HG2 ARG 25 1HG ARG 25 -7.761 3.929 -9.195 168 HG3 ARG 25 2HG ARG 25 -7.628 2.249 -9.719 169 HD2 ARG 25 1HD ARG 25 -9.176 2.548 -11.451 170 HD3 ARG 25 2HD ARG 25 -9.792 4.047 -10.758 171 HE ARG 25 HE ARG 25 -8.046 5.194 -11.732 172 HH11 ARG 25 1HH1 ARG 25 -7.532 1.763 -12.022 173 HH12 ARG 25 2HH1 ARG 25 -6.220 1.922 -13.142 174 HH21 ARG 25 1HH2 ARG 25 -6.319 5.417 -13.207 175 HH22 ARG 25 2HH2 ARG 25 -5.530 4.001 -13.815 176 H LEU 26 H LEU 26 -10.359 4.244 -6.218 177 HA LEU 26 HA LEU 26 -8.880 6.534 -6.272 178 HB2 LEU 26 1HB LEU 26 -11.271 6.257 -5.545 179 HB3 LEU 26 2HB LEU 26 -10.658 5.775 -3.964 180 HG LEU 26 HG LEU 26 -11.338 8.063 -3.848 181 HD11 LEU 26 1HD1 LEU 26 -9.040 7.228 -2.908 182 HD12 LEU 26 2HD1 LEU 26 -9.477 8.935 -2.836 183 HD13 LEU 26 3HD1 LEU 26 -8.384 8.357 -4.094 184 HD21 LEU 26 3HD2 LEU 26 -9.790 8.309 -6.390 185 HD22 LEU 26 1HD2 LEU 26 -9.973 9.712 -5.337 186 HD23 LEU 26 2HD2 LEU 26 -11.401 8.909 -5.991 187 H ASP 27 H ASP 27 -8.945 4.161 -3.624 188 HA ASP 27 HA ASP 27 -7.170 5.439 -1.903 189 HB2 ASP 27 1HB ASP 27 -7.744 2.507 -2.339 190 HB3 ASP 27 2HB ASP 27 -6.693 3.094 -1.052 191 H LEU 28 H LEU 28 -6.467 2.953 -4.357 192 HA LEU 28 HA LEU 28 -3.703 2.865 -4.003 193 HB2 LEU 28 1HB LEU 28 -4.664 1.159 -5.284 194 HB3 LEU 28 2HB LEU 28 -5.484 2.301 -6.348 195 HG LEU 28 HG LEU 28 -2.952 2.923 -6.940 196 HD11 LEU 28 1HD1 LEU 28 -2.005 0.416 -7.171 197 HD12 LEU 28 2HD1 LEU 28 -2.855 0.285 -5.632 198 HD13 LEU 28 3HD1 LEU 28 -1.594 1.499 -5.842 199 HD21 LEU 28 3HD2 LEU 28 -4.255 2.419 -8.745 200 HD22 LEU 28 1HD2 LEU 28 -4.860 0.923 -8.034 201 HD23 LEU 28 2HD2 LEU 28 -3.232 0.982 -8.711 202 H ASP 29 H ASP 29 -5.602 4.785 -6.322 203 HA ASP 29 HA ASP 29 -3.638 6.080 -7.694 204 HB2 ASP 29 1HB ASP 29 -6.239 6.334 -7.772 205 HB3 ASP 29 2HB ASP 29 -5.959 7.680 -6.671 206 H PHE 30 H PHE 30 -4.716 6.737 -4.412 207 HA PHE 30 HA PHE 30 -3.100 9.098 -4.130 208 HB2 PHE 30 1HB PHE 30 -5.288 8.387 -2.852 209 HB3 PHE 30 2HB PHE 30 -4.154 7.570 -1.782 210 HD1 PHE 30 HD1 PHE 30 -2.262 8.974 -0.781 211 HD2 PHE 30 HD2 PHE 30 -5.734 10.648 -2.588 212 HE1 PHE 30 HE1 PHE 30 -1.858 11.090 0.408 213 HE2 PHE 30 HE2 PHE 30 -5.334 12.766 -1.402 214 HZ PHE 30 HZ PHE 30 -3.394 12.990 0.098 215 H HIS 31 H HIS 31 -2.694 5.695 -3.630 216 HA HIS 31 HA HIS 31 -0.503 5.814 -1.830 217 HB2 HIS 31 1HB HIS 31 -1.429 3.711 -1.826 218 HB3 HIS 31 2HB HIS 31 -1.739 3.726 -3.560 219 HD1 HIS 31 HD1 HIS 31 1.098 3.224 -1.110 220 HD2 HIS 31 HD2 HIS 31 0.154 2.464 -5.084 221 HE1 HIS 31 HE1 HIS 31 2.959 1.771 -1.977 222 H GLN 32 H GLN 32 -0.679 5.362 -5.356 223 HA GLN 32 HA GLN 32 1.920 5.033 -6.034 224 HB2 GLN 32 1HB GLN 32 -0.193 6.714 -7.367 225 HB3 GLN 32 2HB GLN 32 1.392 6.465 -8.087 226 HG2 GLN 32 1HG GLN 32 1.021 4.193 -8.418 227 HG3 GLN 32 2HG GLN 32 -0.307 4.146 -7.260 228 HE21 GLN 32 1HE2 GLN 32 -1.829 3.315 -8.610 229 HE22 GLN 32 2HE2 GLN 32 -2.455 4.156 -9.983 230 H ARG 33 H ARG 33 0.479 7.908 -4.723 231 HA ARG 33 HA ARG 33 2.216 9.900 -5.449 232 HB2 ARG 33 1HB ARG 33 0.876 9.396 -2.792 233 HB3 ARG 33 2HB ARG 33 1.758 10.874 -3.155 234 HG2 ARG 33 1HG ARG 33 0.228 11.389 -4.954 235 HG3 ARG 33 2HG ARG 33 -0.621 9.863 -4.698 236 HD2 ARG 33 1HD ARG 33 -1.955 11.402 -3.582 237 HD3 ARG 33 2HD ARG 33 -0.970 10.715 -2.292 238 HE ARG 33 HE ARG 33 0.031 12.760 -2.005 239 HH11 ARG 33 1HH1 ARG 33 -1.741 12.746 -5.002 240 HH12 ARG 33 2HH1 ARG 33 -1.555 14.447 -5.271 241 HH21 ARG 33 1HH2 ARG 33 0.283 15.001 -2.348 242 HH22 ARG 33 2HH2 ARG 33 -0.402 15.729 -3.762 243 H VAL 34 H VAL 34 2.648 7.505 -2.872 244 HA VAL 34 HA VAL 34 5.032 8.478 -1.797 245 HB VAL 34 HB VAL 34 5.412 6.243 -0.919 246 HG11 VAL 34 1HG1 VAL 34 2.477 6.938 -0.893 247 HG12 VAL 34 2HG1 VAL 34 3.327 5.947 0.294 248 HG13 VAL 34 3HG1 VAL 34 3.710 7.662 0.139 249 HG21 VAL 34 3HG2 VAL 34 4.990 4.616 -2.434 250 HG22 VAL 34 1HG2 VAL 34 3.413 4.602 -1.645 251 HG23 VAL 34 2HG2 VAL 34 3.636 5.487 -3.154 252 H HIS 35 H HIS 35 4.445 6.423 -4.594 253 HA HIS 35 HA HIS 35 7.178 5.756 -5.042 254 HB2 HIS 35 1HB HIS 35 4.706 5.617 -6.760 255 HB3 HIS 35 2HB HIS 35 6.292 5.160 -7.373 256 HD1 HIS 35 HD1 HIS 35 7.515 3.254 -5.747 257 HD2 HIS 35 HD2 HIS 35 3.371 3.543 -5.666 258 HE1 HIS 35 HE1 HIS 35 6.707 1.068 -4.802 259 H THR 36 H THR 36 5.119 8.410 -5.971 260 HA THR 36 HA THR 36 7.174 9.466 -7.772 261 HB THR 36 HB THR 36 4.996 9.553 -8.744 262 HG1 THR 36 HG1 THR 36 4.696 11.976 -8.719 263 HG21 THR 36 3HG2 THR 36 3.131 10.776 -7.661 264 HG22 THR 36 1HG2 THR 36 4.120 10.947 -6.212 265 HG23 THR 36 2HG2 THR 36 3.628 9.344 -6.760 266 H GLY 37 H GLY 37 8.490 11.079 -7.198 267 HA2 GLY 37 1HA GLY 37 7.853 13.258 -5.582 268 HA3 GLY 37 2HA GLY 37 8.563 12.038 -4.535 269 H GLU 38 H GLU 38 10.673 11.085 -5.437 270 HA GLU 38 HA GLU 38 12.390 13.346 -6.102 271 HB2 GLU 38 1HB GLU 38 14.211 12.034 -5.329 272 HB3 GLU 38 2HB GLU 38 12.894 11.763 -4.196 273 HG2 GLU 38 1HG GLU 38 12.365 9.659 -5.396 274 HG3 GLU 38 2HG GLU 38 13.794 9.918 -6.394 275 H LYS 39 H LYS 39 13.592 13.518 -7.932 276 HA LYS 39 HA LYS 39 12.963 11.619 -10.076 277 HB2 LYS 39 1HB LYS 39 14.018 13.477 -11.513 278 HB3 LYS 39 2HB LYS 39 12.441 13.783 -10.798 279 HG2 LYS 39 1HG LYS 39 13.318 15.240 -9.197 280 HG3 LYS 39 2HG LYS 39 14.967 14.662 -9.447 281 HD2 LYS 39 1HD LYS 39 15.077 16.616 -10.620 282 HD3 LYS 39 2HD LYS 39 14.510 15.545 -11.904 283 HE2 LYS 39 1HE LYS 39 12.146 16.253 -10.956 284 HE3 LYS 39 2HE LYS 39 13.052 17.659 -10.400 285 HZ1 LYS 39 3HZ LYS 39 12.182 16.997 -13.034 286 HZ2 LYS 39 1HZ LYS 39 13.844 17.308 -12.993 287 HZ3 LYS 39 2HZ LYS 39 12.752 18.470 -12.430 288 H LEU 40 H LEU 40 14.493 10.437 -11.101 289 HA LEU 40 HA LEU 40 17.204 10.547 -9.982 290 HB2 LEU 40 1HB LEU 40 17.469 8.295 -10.606 291 HB3 LEU 40 2HB LEU 40 15.855 8.421 -9.908 292 HG LEU 40 HG LEU 40 16.139 8.609 -12.867 293 HD11 LEU 40 1HD1 LEU 40 15.859 6.069 -12.870 294 HD12 LEU 40 2HD1 LEU 40 16.508 6.122 -11.232 295 HD13 LEU 40 3HD1 LEU 40 17.475 6.714 -12.583 296 HD21 LEU 40 3HD2 LEU 40 13.930 8.567 -12.666 297 HD22 LEU 40 1HD2 LEU 40 14.056 8.307 -10.927 298 HD23 LEU 40 2HD2 LEU 40 14.047 6.927 -12.026 299 H SER 41 H SER 41 15.409 11.210 -12.810 300 HA SER 41 HA SER 41 17.381 10.803 -14.782 301 HB2 SER 41 1HB SER 41 16.003 12.186 -16.214 302 HB3 SER 41 2HB SER 41 14.951 11.157 -15.242 303 HG SER 41 HG SER 41 15.569 13.887 -14.766 304 H GLY 42 H GLY 42 19.265 11.794 -15.022 305 HA2 GLY 42 1HA GLY 42 19.447 14.667 -14.461 306 HA3 GLY 42 2HA GLY 42 20.564 13.590 -13.636 307 HA PRO 43 HA PRO 43 21.643 13.352 -18.354 308 HB2 PRO 43 1HB PRO 43 20.479 15.220 -19.942 309 HB3 PRO 43 2HB PRO 43 19.762 13.633 -19.642 310 HG2 PRO 43 1HG PRO 43 19.127 16.269 -18.373 311 HG3 PRO 43 2HG PRO 43 18.020 15.004 -18.939 312 HD2 PRO 43 1HD PRO 43 18.669 15.312 -16.328 313 HD3 PRO 43 2HD PRO 43 18.310 13.727 -17.042 314 H SER 44 H SER 44 21.575 15.919 -16.243 315 HA SER 44 HA SER 44 23.462 17.544 -17.791 316 HB2 SER 44 1HB SER 44 21.686 18.841 -16.829 317 HB3 SER 44 2HB SER 44 21.926 18.102 -15.246 318 HG SER 44 HG SER 44 24.199 19.252 -16.200 319 H SER 45 H SER 45 23.133 16.250 -14.483 320 HA SER 45 HA SER 45 26.022 16.451 -14.126 321 HB2 SER 45 1HB SER 45 24.384 17.198 -12.346 322 HB3 SER 45 2HB SER 45 23.980 15.497 -12.110 323 HG SER 45 HG SER 45 26.048 15.106 -11.427 324 H GLY 46 H GLY 46 27.374 14.716 -13.778 325 HA2 GLY 46 1HA GLY 46 28.139 12.592 -14.258 326 HA3 GLY 46 2HA GLY 46 26.824 12.116 -13.194 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 13.212 -11.789 1.842 2 HA2 GLY 1 1HA GLY 1 11.007 -11.945 1.154 3 HA3 GLY 1 2HA GLY 1 10.935 -13.551 1.864 4 H SER 2 H SER 2 10.739 -10.103 2.562 5 HA SER 2 HA SER 2 9.651 -10.641 5.213 6 HB2 SER 2 1HB SER 2 9.670 -8.157 5.445 7 HB3 SER 2 2HB SER 2 11.254 -8.827 5.059 8 HG SER 2 HG SER 2 10.973 -7.126 3.697 9 H SER 3 H SER 3 8.053 -11.617 3.170 10 HA SER 3 HA SER 3 5.933 -9.697 2.679 11 HB2 SER 3 1HB SER 3 4.947 -11.374 1.281 12 HB3 SER 3 2HB SER 3 6.683 -11.405 0.972 13 HG SER 3 HG SER 3 5.138 -13.216 2.500 14 H GLY 4 H GLY 4 3.690 -10.170 3.226 15 HA2 GLY 4 1HA GLY 4 3.497 -11.615 5.797 16 HA3 GLY 4 2HA GLY 4 2.573 -10.170 5.415 17 H SER 5 H SER 5 3.016 -13.572 4.578 18 HA SER 5 HA SER 5 0.963 -13.932 2.777 19 HB2 SER 5 1HB SER 5 2.560 -15.702 3.373 20 HB3 SER 5 2HB SER 5 1.820 -15.840 4.968 21 HG SER 5 HG SER 5 -0.186 -16.280 3.712 22 H SER 6 H SER 6 0.759 -14.239 6.321 23 HA SER 6 HA SER 6 -2.036 -14.680 6.373 24 HB2 SER 6 1HB SER 6 -0.223 -13.624 8.558 25 HB3 SER 6 2HB SER 6 -1.855 -14.251 8.791 26 HG SER 6 HG SER 6 -0.775 -16.171 7.571 27 H GLY 7 H GLY 7 -3.275 -13.185 5.358 28 HA2 GLY 7 1HA GLY 7 -4.621 -11.220 5.884 29 HA3 GLY 7 2HA GLY 7 -3.146 -10.439 6.435 30 H SER 8 H SER 8 -4.066 -12.190 3.468 31 HA SER 8 HA SER 8 -3.389 -9.780 1.931 32 HB2 SER 8 1HB SER 8 -2.378 -12.585 1.448 33 HB3 SER 8 2HB SER 8 -2.345 -11.333 0.206 34 HG SER 8 HG SER 8 -1.266 -10.128 2.141 35 H GLY 9 H GLY 9 -5.168 -9.192 0.887 36 HA2 GLY 9 1HA GLY 9 -7.058 -11.273 0.019 37 HA3 GLY 9 2HA GLY 9 -7.446 -9.575 0.251 38 H GLU 10 H GLU 10 -8.282 -10.741 -2.026 39 HA GLU 10 HA GLU 10 -6.337 -9.956 -4.085 40 HB2 GLU 10 1HB GLU 10 -7.601 -12.281 -3.959 41 HB3 GLU 10 2HB GLU 10 -8.876 -11.372 -4.757 42 HG2 GLU 10 1HG GLU 10 -7.602 -11.003 -6.658 43 HG3 GLU 10 2HG GLU 10 -6.084 -11.327 -5.822 44 H LYS 11 H LYS 11 -6.578 -7.867 -4.577 45 HA LYS 11 HA LYS 11 -9.295 -6.774 -4.826 46 HB2 LYS 11 1HB LYS 11 -6.610 -5.457 -4.430 47 HB3 LYS 11 2HB LYS 11 -8.054 -4.549 -4.859 48 HG2 LYS 11 1HG LYS 11 -8.052 -4.322 -2.584 49 HG3 LYS 11 2HG LYS 11 -9.073 -5.750 -2.773 50 HD2 LYS 11 1HD LYS 11 -7.390 -7.196 -2.067 51 HD3 LYS 11 2HD LYS 11 -6.112 -6.024 -2.397 52 HE2 LYS 11 1HE LYS 11 -7.014 -4.624 -0.544 53 HE3 LYS 11 2HE LYS 11 -8.146 -5.923 -0.172 54 HZ1 LYS 11 3HZ LYS 11 -6.417 -6.355 1.257 55 HZ2 LYS 11 1HZ LYS 11 -5.225 -5.856 0.166 56 HZ3 LYS 11 2HZ LYS 11 -6.002 -7.342 -0.053 57 HA PRO 12 HA PRO 12 -9.030 -6.436 -9.194 58 HB2 PRO 12 1HB PRO 12 -10.388 -4.128 -9.638 59 HB3 PRO 12 2HB PRO 12 -11.181 -5.629 -9.147 60 HG2 PRO 12 1HG PRO 12 -10.398 -3.268 -7.482 61 HG3 PRO 12 2HG PRO 12 -11.895 -4.218 -7.443 62 HD2 PRO 12 1HD PRO 12 -9.898 -4.573 -5.649 63 HD3 PRO 12 2HD PRO 12 -10.943 -5.902 -6.190 64 H TYR 13 H TYR 13 -8.447 -3.302 -7.590 65 HA TYR 13 HA TYR 13 -6.644 -2.502 -9.723 66 HB2 TYR 13 1HB TYR 13 -7.282 -0.987 -7.190 67 HB3 TYR 13 2HB TYR 13 -6.616 -0.344 -8.687 68 HD1 TYR 13 HD1 TYR 13 -8.052 -0.033 -10.654 69 HD2 TYR 13 HD2 TYR 13 -9.643 -1.395 -6.950 70 HE1 TYR 13 HE1 TYR 13 -10.321 0.495 -11.442 71 HE2 TYR 13 HE2 TYR 13 -11.917 -0.872 -7.728 72 HH TYR 13 HH TYR 13 -12.864 0.895 -9.586 73 H LYS 14 H LYS 14 -4.468 -2.400 -9.595 74 HA LYS 14 HA LYS 14 -3.158 -2.855 -7.021 75 HB2 LYS 14 1HB LYS 14 -2.561 -4.494 -9.492 76 HB3 LYS 14 2HB LYS 14 -1.705 -4.591 -7.958 77 HG2 LYS 14 1HG LYS 14 -3.121 -6.381 -7.791 78 HG3 LYS 14 2HG LYS 14 -4.076 -5.124 -7.001 79 HD2 LYS 14 1HD LYS 14 -5.662 -5.952 -8.414 80 HD3 LYS 14 2HD LYS 14 -4.938 -4.749 -9.483 81 HE2 LYS 14 1HE LYS 14 -3.469 -6.526 -10.399 82 HE3 LYS 14 2HE LYS 14 -4.327 -7.701 -9.403 83 HZ1 LYS 14 3HZ LYS 14 -5.911 -5.991 -11.170 84 HZ2 LYS 14 1HZ LYS 14 -6.172 -7.595 -10.701 85 HZ3 LYS 14 2HZ LYS 14 -5.015 -7.237 -11.881 86 H CYS 15 H CYS 15 -1.051 -2.058 -6.887 87 HA CYS 15 HA CYS 15 -0.472 0.144 -8.589 88 HB2 CYS 15 1HB CYS 15 0.129 -0.070 -6.134 89 HB3 CYS 15 2HB CYS 15 1.426 -1.152 -6.630 90 H VAL 16 H VAL 16 1.477 0.457 -9.837 91 HA VAL 16 HA VAL 16 2.311 -2.022 -11.181 92 HB VAL 16 HB VAL 16 1.221 -0.220 -12.552 93 HG11 VAL 16 1HG1 VAL 16 2.827 1.656 -13.204 94 HG12 VAL 16 2HG1 VAL 16 2.027 1.784 -11.636 95 HG13 VAL 16 3HG1 VAL 16 3.706 1.252 -11.730 96 HG21 VAL 16 3HG2 VAL 16 2.536 -1.888 -13.654 97 HG22 VAL 16 1HG2 VAL 16 2.928 -0.326 -14.373 98 HG23 VAL 16 2HG2 VAL 16 4.036 -1.068 -13.219 99 H GLU 17 H GLU 17 3.401 0.375 -9.064 100 HA GLU 17 HA GLU 17 6.188 0.225 -9.846 101 HB2 GLU 17 1HB GLU 17 4.870 1.553 -7.470 102 HB3 GLU 17 2HB GLU 17 6.567 1.704 -7.901 103 HG2 GLU 17 1HG GLU 17 4.373 2.489 -9.787 104 HG3 GLU 17 2HG GLU 17 5.013 3.596 -8.574 105 H CYS 18 H CYS 18 4.146 -0.873 -7.167 106 HA CYS 18 HA CYS 18 6.343 -2.645 -6.319 107 HB2 CYS 18 1HB CYS 18 5.186 -2.654 -4.082 108 HB3 CYS 18 2HB CYS 18 5.875 -1.103 -4.551 109 H GLY 19 H GLY 19 2.859 -2.381 -6.846 110 HA2 GLY 19 1HA GLY 19 1.713 -4.202 -7.954 111 HA3 GLY 19 2HA GLY 19 2.778 -5.317 -7.112 112 H LYS 20 H LYS 20 1.618 -2.711 -5.234 113 HA LYS 20 HA LYS 20 0.423 -4.289 -3.296 114 HB2 LYS 20 1HB LYS 20 1.023 -1.659 -3.492 115 HB3 LYS 20 2HB LYS 20 -0.727 -1.587 -3.659 116 HG2 LYS 20 1HG LYS 20 -0.585 -1.417 -1.407 117 HG3 LYS 20 2HG LYS 20 -0.613 -3.177 -1.538 118 HD2 LYS 20 1HD LYS 20 2.020 -1.794 -1.659 119 HD3 LYS 20 2HD LYS 20 1.213 -1.921 -0.094 120 HE2 LYS 20 1HE LYS 20 0.984 -4.391 -0.547 121 HE3 LYS 20 2HE LYS 20 2.051 -4.156 -1.931 122 HZ1 LYS 20 3HZ LYS 20 3.059 -4.868 0.306 123 HZ2 LYS 20 1HZ LYS 20 2.866 -3.247 0.752 124 HZ3 LYS 20 2HZ LYS 20 3.834 -3.649 -0.575 125 H GLY 21 H GLY 21 -2.049 -3.578 -2.660 126 HA2 GLY 21 1HA GLY 21 -3.765 -3.925 -5.008 127 HA3 GLY 21 2HA GLY 21 -3.827 -5.165 -3.763 128 H TYR 22 H TYR 22 -5.478 -2.648 -4.873 129 HA TYR 22 HA TYR 22 -6.526 -1.973 -2.207 130 HB2 TYR 22 1HB TYR 22 -5.974 -0.109 -4.514 131 HB3 TYR 22 2HB TYR 22 -7.052 0.317 -3.190 132 HD1 TYR 22 HD2 TYR 22 -3.558 -0.440 -4.089 133 HD2 TYR 22 HD1 TYR 22 -6.193 0.941 -1.047 134 HE1 TYR 22 HE2 TYR 22 -1.627 0.328 -2.773 135 HE2 TYR 22 HE1 TYR 22 -4.270 1.714 0.276 136 HH TYR 22 HH TYR 22 -1.984 2.311 0.027 137 H LYS 23 H LYS 23 -8.662 -2.199 -1.978 138 HA LYS 23 HA LYS 23 -10.237 -3.489 -3.878 139 HB2 LYS 23 1HB LYS 23 -10.591 -3.225 -1.334 140 HB3 LYS 23 2HB LYS 23 -11.403 -1.719 -1.743 141 HG2 LYS 23 1HG LYS 23 -13.189 -2.774 -2.688 142 HG3 LYS 23 2HG LYS 23 -12.246 -4.191 -3.157 143 HD2 LYS 23 1HD LYS 23 -13.458 -5.080 -1.433 144 HD3 LYS 23 2HD LYS 23 -12.053 -4.494 -0.540 145 HE2 LYS 23 1HE LYS 23 -13.374 -2.341 -0.204 146 HE3 LYS 23 2HE LYS 23 -14.777 -3.243 -0.774 147 HZ1 LYS 23 3HZ LYS 23 -15.000 -3.749 1.383 148 HZ2 LYS 23 1HZ LYS 23 -13.388 -3.397 1.757 149 HZ3 LYS 23 2HZ LYS 23 -13.792 -4.896 1.087 150 H ARG 24 H ARG 24 -9.879 -0.054 -3.162 151 HA ARG 24 HA ARG 24 -11.601 0.549 -5.475 152 HB2 ARG 24 1HB ARG 24 -12.595 1.521 -3.558 153 HB3 ARG 24 2HB ARG 24 -11.048 2.096 -2.952 154 HG2 ARG 24 1HG ARG 24 -10.922 3.762 -4.665 155 HG3 ARG 24 2HG ARG 24 -12.353 3.109 -5.466 156 HD2 ARG 24 1HD ARG 24 -12.824 5.141 -4.135 157 HD3 ARG 24 2HD ARG 24 -13.742 3.734 -3.601 158 HE ARG 24 HE ARG 24 -11.543 3.709 -2.010 159 HH11 ARG 24 1HH1 ARG 24 -13.952 6.104 -2.774 160 HH12 ARG 24 2HH1 ARG 24 -13.850 6.887 -1.232 161 HH21 ARG 24 1HH2 ARG 24 -11.399 4.733 0.023 162 HH22 ARG 24 2HH2 ARG 24 -12.396 6.107 0.358 163 H ARG 25 H ARG 25 -10.894 1.999 -7.024 164 HA ARG 25 HA ARG 25 -8.118 2.088 -7.510 165 HB2 ARG 25 1HB ARG 25 -9.795 2.154 -9.305 166 HB3 ARG 25 2HB ARG 25 -10.328 3.736 -8.752 167 HG2 ARG 25 1HG ARG 25 -8.925 4.050 -10.647 168 HG3 ARG 25 2HG ARG 25 -8.039 4.595 -9.222 169 HD2 ARG 25 1HD ARG 25 -7.029 2.245 -9.180 170 HD3 ARG 25 2HD ARG 25 -7.662 2.080 -10.817 171 HE ARG 25 HE ARG 25 -5.351 3.535 -10.022 172 HH11 ARG 25 1HH1 ARG 25 -7.990 3.528 -12.294 173 HH12 ARG 25 2HH1 ARG 25 -7.126 4.422 -13.500 174 HH21 ARG 25 1HH2 ARG 25 -4.203 4.713 -11.602 175 HH22 ARG 25 2HH2 ARG 25 -4.972 5.095 -13.106 176 H LEU 26 H LEU 26 -10.401 4.545 -6.359 177 HA LEU 26 HA LEU 26 -8.777 6.765 -6.316 178 HB2 LEU 26 1HB LEU 26 -11.229 6.567 -5.693 179 HB3 LEU 26 2HB LEU 26 -10.680 6.084 -4.090 180 HG LEU 26 HG LEU 26 -11.299 8.421 -4.094 181 HD11 LEU 26 1HD1 LEU 26 -9.147 7.452 -2.930 182 HD12 LEU 26 2HD1 LEU 26 -9.513 9.176 -2.888 183 HD13 LEU 26 3HD1 LEU 26 -8.329 8.554 -4.037 184 HD21 LEU 26 3HD2 LEU 26 -11.032 9.599 -5.960 185 HD22 LEU 26 1HD2 LEU 26 -9.916 8.407 -6.626 186 HD23 LEU 26 2HD2 LEU 26 -9.312 9.691 -5.578 187 H ASP 27 H ASP 27 -9.033 4.206 -3.879 188 HA ASP 27 HA ASP 27 -7.342 5.307 -1.951 189 HB2 ASP 27 1HB ASP 27 -7.865 2.413 -2.652 190 HB3 ASP 27 2HB ASP 27 -6.994 2.937 -1.214 191 H LEU 28 H LEU 28 -6.534 2.931 -4.487 192 HA LEU 28 HA LEU 28 -3.785 2.849 -4.002 193 HB2 LEU 28 1HB LEU 28 -4.658 1.152 -5.348 194 HB3 LEU 28 2HB LEU 28 -5.464 2.295 -6.420 195 HG LEU 28 HG LEU 28 -2.938 2.977 -6.933 196 HD11 LEU 28 1HD1 LEU 28 -1.716 0.717 -7.126 197 HD12 LEU 28 2HD1 LEU 28 -2.827 0.183 -5.866 198 HD13 LEU 28 3HD1 LEU 28 -1.739 1.537 -5.564 199 HD21 LEU 28 3HD2 LEU 28 -3.185 0.871 -8.633 200 HD22 LEU 28 1HD2 LEU 28 -3.979 2.432 -8.845 201 HD23 LEU 28 2HD2 LEU 28 -4.854 1.091 -8.105 202 H ASP 29 H ASP 29 -5.653 4.881 -6.232 203 HA ASP 29 HA ASP 29 -3.650 6.185 -7.571 204 HB2 ASP 29 1HB ASP 29 -6.051 6.529 -8.006 205 HB3 ASP 29 2HB ASP 29 -6.189 7.437 -6.503 206 H PHE 30 H PHE 30 -4.704 6.665 -4.265 207 HA PHE 30 HA PHE 30 -3.089 9.029 -3.892 208 HB2 PHE 30 1HB PHE 30 -5.317 8.271 -2.672 209 HB3 PHE 30 2HB PHE 30 -4.180 7.476 -1.588 210 HD1 PHE 30 HD1 PHE 30 -2.439 8.858 -0.427 211 HD2 PHE 30 HD2 PHE 30 -5.700 10.582 -2.552 212 HE1 PHE 30 HE1 PHE 30 -2.091 10.981 0.767 213 HE2 PHE 30 HE2 PHE 30 -5.357 12.707 -1.362 214 HZ PHE 30 HZ PHE 30 -3.550 12.910 0.299 215 H HIS 31 H HIS 31 -2.699 5.623 -3.598 216 HA HIS 31 HA HIS 31 -0.564 5.631 -1.712 217 HB2 HIS 31 1HB HIS 31 -1.512 3.542 -1.819 218 HB3 HIS 31 2HB HIS 31 -1.784 3.636 -3.557 219 HD1 HIS 31 HD1 HIS 31 0.947 2.921 -1.055 220 HD2 HIS 31 HD2 HIS 31 0.175 2.494 -5.114 221 HE1 HIS 31 HE1 HIS 31 2.822 1.505 -1.951 222 H GLN 32 H GLN 32 -0.698 5.455 -5.256 223 HA GLN 32 HA GLN 32 1.945 5.103 -5.870 224 HB2 GLN 32 1HB GLN 32 -0.162 6.777 -7.223 225 HB3 GLN 32 2HB GLN 32 1.447 6.575 -7.904 226 HG2 GLN 32 1HG GLN 32 1.124 4.331 -8.345 227 HG3 GLN 32 2HG GLN 32 -0.178 4.182 -7.165 228 HE21 GLN 32 1HE2 GLN 32 -1.704 3.354 -8.504 229 HE22 GLN 32 2HE2 GLN 32 -2.388 4.216 -9.836 230 H ARG 33 H ARG 33 0.496 7.819 -4.350 231 HA ARG 33 HA ARG 33 2.081 9.948 -5.017 232 HB2 ARG 33 1HB ARG 33 0.847 9.122 -2.407 233 HB3 ARG 33 2HB ARG 33 1.816 10.586 -2.514 234 HG2 ARG 33 1HG ARG 33 0.268 11.232 -4.454 235 HG3 ARG 33 2HG ARG 33 -0.791 9.959 -3.844 236 HD2 ARG 33 1HD ARG 33 -1.620 11.737 -2.678 237 HD3 ARG 33 2HD ARG 33 -0.375 11.200 -1.552 238 HE ARG 33 HE ARG 33 0.724 13.168 -1.907 239 HH11 ARG 33 1HH1 ARG 33 -1.510 12.645 -4.526 240 HH12 ARG 33 2HH1 ARG 33 -1.231 14.196 -5.247 241 HH21 ARG 33 1HH2 ARG 33 1.100 15.212 -2.847 242 HH22 ARG 33 2HH2 ARG 33 0.255 15.655 -4.291 243 H VAL 34 H VAL 34 2.866 7.267 -2.868 244 HA VAL 34 HA VAL 34 5.295 8.318 -1.872 245 HB VAL 34 HB VAL 34 5.784 6.117 -1.072 246 HG11 VAL 34 1HG1 VAL 34 2.848 6.771 -0.992 247 HG12 VAL 34 2HG1 VAL 34 3.576 5.487 -0.025 248 HG13 VAL 34 3HG1 VAL 34 4.084 7.160 0.205 249 HG21 VAL 34 3HG2 VAL 34 4.288 4.189 -1.771 250 HG22 VAL 34 1HG2 VAL 34 3.769 5.211 -3.112 251 HG23 VAL 34 2HG2 VAL 34 5.463 4.743 -2.964 252 H HIS 35 H HIS 35 4.483 6.448 -4.733 253 HA HIS 35 HA HIS 35 7.205 5.927 -5.467 254 HB2 HIS 35 1HB HIS 35 4.603 5.687 -6.982 255 HB3 HIS 35 2HB HIS 35 6.164 5.243 -7.666 256 HD1 HIS 35 HD1 HIS 35 7.474 3.313 -6.239 257 HD2 HIS 35 HD2 HIS 35 3.383 3.685 -5.617 258 HE1 HIS 35 HE1 HIS 35 6.757 1.151 -5.173 259 H THR 36 H THR 36 4.809 8.374 -6.228 260 HA THR 36 HA THR 36 6.178 9.555 -8.405 261 HB THR 36 HB THR 36 4.692 11.441 -8.147 262 HG1 THR 36 HG1 THR 36 4.046 10.296 -5.615 263 HG21 THR 36 3HG2 THR 36 2.485 10.251 -8.023 264 HG22 THR 36 1HG2 THR 36 3.366 8.795 -7.564 265 HG23 THR 36 2HG2 THR 36 3.645 9.534 -9.141 266 H GLY 37 H GLY 37 6.094 10.312 -4.934 267 HA2 GLY 37 1HA GLY 37 8.743 11.125 -4.744 268 HA3 GLY 37 2HA GLY 37 7.808 12.568 -5.107 269 H GLU 38 H GLU 38 5.453 11.625 -3.645 270 HA GLU 38 HA GLU 38 5.608 12.882 -1.292 271 HB2 GLU 38 1HB GLU 38 3.557 11.818 -2.099 272 HB3 GLU 38 2HB GLU 38 4.215 10.233 -1.715 273 HG2 GLU 38 1HG GLU 38 4.408 11.161 0.689 274 HG3 GLU 38 2HG GLU 38 3.261 12.378 0.131 275 H LYS 39 H LYS 39 6.957 9.722 -1.962 276 HA LYS 39 HA LYS 39 7.571 9.046 0.731 277 HB2 LYS 39 1HB LYS 39 7.424 7.299 -0.920 278 HB3 LYS 39 2HB LYS 39 8.676 8.053 -1.899 279 HG2 LYS 39 1HG LYS 39 9.812 6.337 -0.862 280 HG3 LYS 39 2HG LYS 39 10.175 7.714 0.180 281 HD2 LYS 39 1HD LYS 39 9.579 6.177 1.764 282 HD3 LYS 39 2HD LYS 39 7.998 6.888 1.432 283 HE2 LYS 39 1HE LYS 39 7.674 5.050 -0.272 284 HE3 LYS 39 2HE LYS 39 9.122 4.296 0.391 285 HZ1 LYS 39 3HZ LYS 39 7.787 3.345 1.867 286 HZ2 LYS 39 1HZ LYS 39 6.464 4.295 1.410 287 HZ3 LYS 39 2HZ LYS 39 7.555 4.867 2.568 288 H LEU 40 H LEU 40 9.550 10.319 -1.941 289 HA LEU 40 HA LEU 40 11.865 10.661 -0.299 290 HB2 LEU 40 1HB LEU 40 12.455 10.391 -2.492 291 HB3 LEU 40 2HB LEU 40 11.091 11.334 -3.087 292 HG LEU 40 HG LEU 40 12.270 13.395 -2.317 293 HD11 LEU 40 1HD1 LEU 40 14.897 12.196 -2.262 294 HD12 LEU 40 2HD1 LEU 40 13.882 11.590 -0.954 295 HD13 LEU 40 3HD1 LEU 40 14.147 13.324 -1.132 296 HD21 LEU 40 3HD2 LEU 40 12.517 12.026 -4.637 297 HD22 LEU 40 1HD2 LEU 40 14.206 12.144 -4.143 298 HD23 LEU 40 2HD2 LEU 40 13.240 13.607 -4.336 299 H SER 41 H SER 41 11.997 12.141 1.246 300 HA SER 41 HA SER 41 10.827 14.799 0.744 301 HB2 SER 41 1HB SER 41 9.563 13.575 2.472 302 HB3 SER 41 2HB SER 41 11.045 13.372 3.407 303 HG SER 41 HG SER 41 11.029 15.460 3.926 304 H GLY 42 H GLY 42 13.369 12.997 2.441 305 HA2 GLY 42 1HA GLY 42 15.552 14.399 1.741 306 HA3 GLY 42 2HA GLY 42 14.859 15.425 2.989 307 HA PRO 43 HA PRO 43 16.142 11.225 5.066 308 HB2 PRO 43 1HB PRO 43 17.870 9.702 3.629 309 HB3 PRO 43 2HB PRO 43 16.115 9.514 3.533 310 HG2 PRO 43 1HG PRO 43 17.967 10.966 1.684 311 HG3 PRO 43 2HG PRO 43 16.603 9.903 1.293 312 HD2 PRO 43 1HD PRO 43 16.414 12.602 1.215 313 HD3 PRO 43 2HD PRO 43 15.044 11.561 1.652 314 H SER 44 H SER 44 18.485 10.244 5.619 315 HA SER 44 HA SER 44 20.432 12.446 5.472 316 HB2 SER 44 1HB SER 44 21.024 12.109 7.801 317 HB3 SER 44 2HB SER 44 19.290 12.405 7.687 318 HG SER 44 HG SER 44 20.136 10.544 9.024 319 H SER 45 H SER 45 22.470 11.873 4.992 320 HA SER 45 HA SER 45 22.983 9.073 4.408 321 HB2 SER 45 1HB SER 45 23.611 11.214 2.978 322 HB3 SER 45 2HB SER 45 25.050 11.193 3.999 323 HG SER 45 HG SER 45 24.135 8.916 2.587 324 H GLY 46 H GLY 46 24.211 7.747 5.595 325 HA2 GLY 46 1HA GLY 46 26.203 8.810 7.426 326 HA3 GLY 46 2HA GLY 46 24.843 7.995 8.183 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 11.095 -12.564 4.087 2 HA2 GLY 1 1HA GLY 1 9.250 -13.175 2.733 3 HA3 GLY 1 2HA GLY 1 9.173 -14.715 3.577 4 H SER 2 H SER 2 9.024 -14.018 6.186 5 HA SER 2 HA SER 2 7.400 -13.585 7.736 6 HB2 SER 2 1HB SER 2 8.573 -11.292 7.104 7 HB3 SER 2 2HB SER 2 6.963 -10.900 6.501 8 HG SER 2 HG SER 2 7.764 -10.708 8.954 9 H SER 3 H SER 3 6.378 -14.977 5.563 10 HA SER 3 HA SER 3 3.867 -13.695 4.829 11 HB2 SER 3 1HB SER 3 5.215 -16.257 3.981 12 HB3 SER 3 2HB SER 3 3.554 -15.881 3.525 13 HG SER 3 HG SER 3 5.884 -14.918 2.515 14 H GLY 4 H GLY 4 1.820 -14.583 5.280 15 HA2 GLY 4 1HA GLY 4 1.464 -16.905 6.889 16 HA3 GLY 4 2HA GLY 4 1.375 -15.449 7.870 17 H SER 5 H SER 5 -0.619 -14.763 8.205 18 HA SER 5 HA SER 5 -2.617 -15.169 6.075 19 HB2 SER 5 1HB SER 5 -4.310 -15.303 7.944 20 HB3 SER 5 2HB SER 5 -3.181 -16.656 7.871 21 HG SER 5 HG SER 5 -3.538 -15.704 10.004 22 H SER 6 H SER 6 -1.047 -12.880 6.186 23 HA SER 6 HA SER 6 -1.868 -10.711 7.624 24 HB2 SER 6 1HB SER 6 -0.040 -10.669 5.956 25 HB3 SER 6 2HB SER 6 -1.237 -10.704 4.661 26 HG SER 6 HG SER 6 -1.643 -8.656 4.978 27 H GLY 7 H GLY 7 -3.183 -11.494 4.394 28 HA2 GLY 7 1HA GLY 7 -5.743 -11.650 4.484 29 HA3 GLY 7 2HA GLY 7 -5.625 -10.027 5.147 30 H SER 8 H SER 8 -6.323 -11.645 2.426 31 HA SER 8 HA SER 8 -5.824 -9.309 0.772 32 HB2 SER 8 1HB SER 8 -4.841 -12.047 -0.068 33 HB3 SER 8 2HB SER 8 -4.749 -10.567 -1.022 34 HG SER 8 HG SER 8 -3.576 -9.842 1.078 35 H GLY 9 H GLY 9 -6.887 -9.554 -1.407 36 HA2 GLY 9 1HA GLY 9 -8.987 -11.550 -1.572 37 HA3 GLY 9 2HA GLY 9 -9.546 -9.906 -1.303 38 H GLU 10 H GLU 10 -6.788 -10.931 -3.261 39 HA GLU 10 HA GLU 10 -6.237 -10.226 -5.390 40 HB2 GLU 10 1HB GLU 10 -7.693 -12.415 -5.444 41 HB3 GLU 10 2HB GLU 10 -8.873 -11.371 -6.223 42 HG2 GLU 10 1HG GLU 10 -7.563 -11.051 -8.090 43 HG3 GLU 10 2HG GLU 10 -6.071 -11.451 -7.240 44 H LYS 11 H LYS 11 -7.045 -7.992 -4.271 45 HA LYS 11 HA LYS 11 -9.309 -6.668 -5.054 46 HB2 LYS 11 1HB LYS 11 -6.515 -5.786 -4.491 47 HB3 LYS 11 2HB LYS 11 -7.633 -4.615 -5.177 48 HG2 LYS 11 1HG LYS 11 -7.795 -4.290 -2.879 49 HG3 LYS 11 2HG LYS 11 -9.208 -5.272 -3.275 50 HD2 LYS 11 1HD LYS 11 -8.320 -6.271 -1.350 51 HD3 LYS 11 2HD LYS 11 -7.749 -7.287 -2.675 52 HE2 LYS 11 1HE LYS 11 -5.642 -5.849 -2.641 53 HE3 LYS 11 2HE LYS 11 -6.220 -5.241 -1.091 54 HZ1 LYS 11 3HZ LYS 11 -5.023 -7.775 -1.732 55 HZ2 LYS 11 1HZ LYS 11 -6.433 -7.921 -0.808 56 HZ3 LYS 11 2HZ LYS 11 -5.145 -6.982 -0.242 57 HA PRO 12 HA PRO 12 -9.200 -6.186 -9.420 58 HB2 PRO 12 1HB PRO 12 -10.550 -3.846 -9.687 59 HB3 PRO 12 2HB PRO 12 -11.340 -5.366 -9.249 60 HG2 PRO 12 1HG PRO 12 -10.473 -3.106 -7.488 61 HG3 PRO 12 2HG PRO 12 -11.977 -4.044 -7.445 62 HD2 PRO 12 1HD PRO 12 -9.919 -4.512 -5.749 63 HD3 PRO 12 2HD PRO 12 -10.997 -5.802 -6.322 64 H TYR 13 H TYR 13 -8.383 -3.267 -7.558 65 HA TYR 13 HA TYR 13 -6.632 -2.387 -9.737 66 HB2 TYR 13 1HB TYR 13 -7.305 -0.851 -7.229 67 HB3 TYR 13 2HB TYR 13 -6.653 -0.224 -8.739 68 HD1 TYR 13 HD1 TYR 13 -8.117 -0.118 -10.759 69 HD2 TYR 13 HD2 TYR 13 -9.645 -1.115 -6.915 70 HE1 TYR 13 HE1 TYR 13 -10.395 0.377 -11.543 71 HE2 TYR 13 HE2 TYR 13 -11.927 -0.624 -7.688 72 HH TYR 13 HH TYR 13 -12.747 -0.298 -10.911 73 H LYS 14 H LYS 14 -4.450 -2.105 -9.490 74 HA LYS 14 HA LYS 14 -3.220 -2.618 -6.899 75 HB2 LYS 14 1HB LYS 14 -2.508 -4.234 -9.354 76 HB3 LYS 14 2HB LYS 14 -1.722 -4.335 -7.784 77 HG2 LYS 14 1HG LYS 14 -3.114 -6.115 -7.609 78 HG3 LYS 14 2HG LYS 14 -4.192 -4.861 -6.992 79 HD2 LYS 14 1HD LYS 14 -5.512 -6.007 -8.534 80 HD3 LYS 14 2HD LYS 14 -4.945 -4.603 -9.441 81 HE2 LYS 14 1HE LYS 14 -4.707 -6.491 -10.862 82 HE3 LYS 14 2HE LYS 14 -3.089 -6.047 -10.321 83 HZ1 LYS 14 3HZ LYS 14 -3.415 -8.431 -10.219 84 HZ2 LYS 14 1HZ LYS 14 -4.753 -8.238 -9.201 85 HZ3 LYS 14 2HZ LYS 14 -3.210 -7.806 -8.660 86 H CYS 15 H CYS 15 -0.856 -2.201 -6.944 87 HA CYS 15 HA CYS 15 -0.328 0.158 -8.542 88 HB2 CYS 15 1HB CYS 15 0.209 -0.032 -6.074 89 HB3 CYS 15 2HB CYS 15 1.501 -1.141 -6.521 90 H VAL 16 H VAL 16 1.603 0.443 -9.791 91 HA VAL 16 HA VAL 16 2.449 -2.047 -11.095 92 HB VAL 16 HB VAL 16 1.457 -0.267 -12.520 93 HG11 VAL 16 1HG1 VAL 16 3.719 1.285 -11.359 94 HG12 VAL 16 2HG1 VAL 16 3.218 1.620 -13.018 95 HG13 VAL 16 3HG1 VAL 16 2.062 1.785 -11.696 96 HG21 VAL 16 3HG2 VAL 16 3.005 -0.507 -14.298 97 HG22 VAL 16 1HG2 VAL 16 4.361 -0.693 -13.186 98 HG23 VAL 16 2HG2 VAL 16 3.148 -1.966 -13.318 99 H GLU 17 H GLU 17 3.542 0.341 -8.953 100 HA GLU 17 HA GLU 17 6.341 0.137 -9.646 101 HB2 GLU 17 1HB GLU 17 4.909 1.463 -7.341 102 HB3 GLU 17 2HB GLU 17 6.653 1.501 -7.557 103 HG2 GLU 17 1HG GLU 17 6.134 3.468 -8.543 104 HG3 GLU 17 2HG GLU 17 5.967 2.412 -9.945 105 H CYS 18 H CYS 18 4.334 -0.804 -6.856 106 HA CYS 18 HA CYS 18 6.439 -2.707 -6.078 107 HB2 CYS 18 1HB CYS 18 5.308 -2.713 -3.852 108 HB3 CYS 18 2HB CYS 18 5.945 -1.139 -4.315 109 H GLY 19 H GLY 19 2.978 -2.369 -6.679 110 HA2 GLY 19 1HA GLY 19 1.842 -4.176 -7.837 111 HA3 GLY 19 2HA GLY 19 2.836 -5.306 -6.929 112 H LYS 20 H LYS 20 1.649 -2.635 -5.156 113 HA LYS 20 HA LYS 20 0.291 -4.194 -3.283 114 HB2 LYS 20 1HB LYS 20 1.122 -1.667 -3.278 115 HB3 LYS 20 2HB LYS 20 -0.558 -1.366 -3.698 116 HG2 LYS 20 1HG LYS 20 -0.465 -1.184 -1.369 117 HG3 LYS 20 2HG LYS 20 -1.160 -2.777 -1.674 118 HD2 LYS 20 1HD LYS 20 0.440 -3.101 0.026 119 HD3 LYS 20 2HD LYS 20 1.201 -3.687 -1.455 120 HE2 LYS 20 1HE LYS 20 2.420 -1.593 -1.676 121 HE3 LYS 20 2HE LYS 20 1.622 -0.958 -0.238 122 HZ1 LYS 20 3HZ LYS 20 3.576 -1.700 0.642 123 HZ2 LYS 20 1HZ LYS 20 3.733 -2.982 -0.451 124 HZ3 LYS 20 2HZ LYS 20 2.639 -3.095 0.833 125 H GLY 21 H GLY 21 -2.036 -4.081 -2.731 126 HA2 GLY 21 1HA GLY 21 -3.721 -3.921 -5.153 127 HA3 GLY 21 2HA GLY 21 -3.854 -5.260 -4.022 128 H TYR 22 H TYR 22 -5.393 -2.599 -4.964 129 HA TYR 22 HA TYR 22 -6.483 -2.090 -2.275 130 HB2 TYR 22 1HB TYR 22 -5.956 -0.121 -4.501 131 HB3 TYR 22 2HB TYR 22 -7.004 0.240 -3.134 132 HD1 TYR 22 HD2 TYR 22 -3.541 -0.368 -4.190 133 HD2 TYR 22 HD1 TYR 22 -6.089 0.651 -0.938 134 HE1 TYR 22 HE2 TYR 22 -1.580 0.334 -2.881 135 HE2 TYR 22 HE1 TYR 22 -4.136 1.358 0.379 136 HH TYR 22 HH TYR 22 -1.645 2.239 -0.353 137 H LYS 23 H LYS 23 -8.634 -2.258 -2.056 138 HA LYS 23 HA LYS 23 -10.193 -3.441 -4.082 139 HB2 LYS 23 1HB LYS 23 -10.498 -3.468 -1.504 140 HB3 LYS 23 2HB LYS 23 -11.386 -1.970 -1.750 141 HG2 LYS 23 1HG LYS 23 -13.020 -3.057 -3.083 142 HG3 LYS 23 2HG LYS 23 -12.056 -4.534 -3.170 143 HD2 LYS 23 1HD LYS 23 -13.109 -3.405 -0.584 144 HD3 LYS 23 2HD LYS 23 -13.999 -4.579 -1.557 145 HE2 LYS 23 1HE LYS 23 -11.684 -5.869 -1.425 146 HE3 LYS 23 2HE LYS 23 -11.523 -4.917 0.051 147 HZ1 LYS 23 3HZ LYS 23 -12.992 -7.258 -0.333 148 HZ2 LYS 23 1HZ LYS 23 -14.102 -6.017 -0.038 149 HZ3 LYS 23 2HZ LYS 23 -12.865 -6.327 1.074 150 H ARG 24 H ARG 24 -9.763 -0.115 -3.061 151 HA ARG 24 HA ARG 24 -11.658 0.736 -5.149 152 HB2 ARG 24 1HB ARG 24 -12.189 1.434 -2.807 153 HB3 ARG 24 2HB ARG 24 -10.682 2.341 -2.782 154 HG2 ARG 24 1HG ARG 24 -11.455 3.820 -4.483 155 HG3 ARG 24 2HG ARG 24 -12.883 2.823 -4.774 156 HD2 ARG 24 1HD ARG 24 -12.256 4.301 -2.220 157 HD3 ARG 24 2HD ARG 24 -13.411 4.817 -3.448 158 HE ARG 24 HE ARG 24 -13.872 2.189 -2.323 159 HH11 ARG 24 1HH1 ARG 24 -14.586 5.593 -2.188 160 HH12 ARG 24 2HH1 ARG 24 -16.080 5.379 -1.338 161 HH21 ARG 24 1HH2 ARG 24 -15.837 1.894 -1.204 162 HH22 ARG 24 2HH2 ARG 24 -16.791 3.274 -0.778 163 H ARG 25 H ARG 25 -10.954 1.957 -6.804 164 HA ARG 25 HA ARG 25 -8.239 2.119 -7.429 165 HB2 ARG 25 1HB ARG 25 -9.961 2.220 -9.142 166 HB3 ARG 25 2HB ARG 25 -10.556 3.742 -8.494 167 HG2 ARG 25 1HG ARG 25 -9.308 4.494 -10.249 168 HG3 ARG 25 2HG ARG 25 -8.102 4.538 -8.961 169 HD2 ARG 25 1HD ARG 25 -7.160 2.460 -9.682 170 HD3 ARG 25 2HD ARG 25 -8.472 2.207 -10.833 171 HE ARG 25 HE ARG 25 -7.370 3.548 -12.316 172 HH11 ARG 25 1HH1 ARG 25 -6.088 4.105 -9.128 173 HH12 ARG 25 2HH1 ARG 25 -4.805 5.130 -9.680 174 HH21 ARG 25 1HH2 ARG 25 -5.686 4.897 -13.056 175 HH22 ARG 25 2HH2 ARG 25 -4.578 5.581 -11.915 176 H LEU 26 H LEU 26 -10.395 4.469 -5.922 177 HA LEU 26 HA LEU 26 -8.741 6.710 -5.996 178 HB2 LEU 26 1HB LEU 26 -11.195 6.414 -5.202 179 HB3 LEU 26 2HB LEU 26 -10.467 6.111 -3.626 180 HG LEU 26 HG LEU 26 -11.169 8.404 -3.743 181 HD11 LEU 26 1HD1 LEU 26 -9.315 9.264 -2.792 182 HD12 LEU 26 2HD1 LEU 26 -8.277 8.812 -4.144 183 HD13 LEU 26 3HD1 LEU 26 -8.732 7.607 -2.940 184 HD21 LEU 26 3HD2 LEU 26 -11.078 9.645 -5.586 185 HD22 LEU 26 1HD2 LEU 26 -10.498 8.212 -6.436 186 HD23 LEU 26 2HD2 LEU 26 -9.345 9.365 -5.765 187 H ASP 27 H ASP 27 -8.933 4.102 -3.606 188 HA ASP 27 HA ASP 27 -7.146 5.124 -1.726 189 HB2 ASP 27 1HB ASP 27 -8.076 2.385 -2.462 190 HB3 ASP 27 2HB ASP 27 -6.691 2.534 -1.383 191 H LEU 28 H LEU 28 -6.501 2.957 -4.476 192 HA LEU 28 HA LEU 28 -3.714 2.810 -4.077 193 HB2 LEU 28 1HB LEU 28 -4.657 1.139 -5.414 194 HB3 LEU 28 2HB LEU 28 -5.507 2.306 -6.425 195 HG LEU 28 HG LEU 28 -3.005 2.995 -7.035 196 HD11 LEU 28 1HD1 LEU 28 -2.362 1.013 -5.401 197 HD12 LEU 28 2HD1 LEU 28 -1.427 1.366 -6.854 198 HD13 LEU 28 3HD1 LEU 28 -2.611 0.059 -6.864 199 HD21 LEU 28 3HD2 LEU 28 -4.834 0.923 -8.154 200 HD22 LEU 28 1HD2 LEU 28 -3.236 1.140 -8.870 201 HD23 LEU 28 2HD2 LEU 28 -4.368 2.492 -8.814 202 H ASP 29 H ASP 29 -5.690 4.864 -6.194 203 HA ASP 29 HA ASP 29 -3.756 6.210 -7.588 204 HB2 ASP 29 1HB ASP 29 -6.303 6.476 -7.698 205 HB3 ASP 29 2HB ASP 29 -6.122 7.646 -6.394 206 H PHE 30 H PHE 30 -4.697 6.653 -4.238 207 HA PHE 30 HA PHE 30 -3.062 9.006 -3.896 208 HB2 PHE 30 1HB PHE 30 -5.248 8.239 -2.607 209 HB3 PHE 30 2HB PHE 30 -4.076 7.433 -1.570 210 HD1 PHE 30 HD1 PHE 30 -2.234 8.836 -0.536 211 HD2 PHE 30 HD2 PHE 30 -5.685 10.515 -2.375 212 HE1 PHE 30 HE1 PHE 30 -1.842 10.948 0.665 213 HE2 PHE 30 HE2 PHE 30 -5.299 12.630 -1.178 214 HZ PHE 30 HZ PHE 30 -3.375 12.849 0.344 215 H HIS 31 H HIS 31 -2.667 5.598 -3.655 216 HA HIS 31 HA HIS 31 -0.435 5.624 -1.863 217 HB2 HIS 31 1HB HIS 31 -1.453 3.557 -1.844 218 HB3 HIS 31 2HB HIS 31 -1.782 3.584 -3.574 219 HD1 HIS 31 HD1 HIS 31 0.984 2.869 -1.121 220 HD2 HIS 31 HD2 HIS 31 0.139 2.394 -5.161 221 HE1 HIS 31 HE1 HIS 31 2.812 1.395 -2.021 222 H GLN 32 H GLN 32 -0.775 5.220 -5.382 223 HA GLN 32 HA GLN 32 1.839 4.857 -6.107 224 HB2 GLN 32 1HB GLN 32 -0.365 6.387 -7.476 225 HB3 GLN 32 2HB GLN 32 1.208 6.146 -8.224 226 HG2 GLN 32 1HG GLN 32 0.911 3.745 -8.143 227 HG3 GLN 32 2HG GLN 32 -0.632 3.945 -7.315 228 HE21 GLN 32 1HE2 GLN 32 -2.025 3.156 -8.768 229 HE22 GLN 32 2HE2 GLN 32 -2.221 3.754 -10.377 230 H ARG 33 H ARG 33 0.408 7.674 -4.754 231 HA ARG 33 HA ARG 33 2.066 9.697 -5.698 232 HB2 ARG 33 1HB ARG 33 0.621 9.308 -3.090 233 HB3 ARG 33 2HB ARG 33 1.604 10.736 -3.381 234 HG2 ARG 33 1HG ARG 33 0.228 11.392 -5.222 235 HG3 ARG 33 2HG ARG 33 -0.670 9.875 -5.151 236 HD2 ARG 33 1HD ARG 33 -1.655 10.459 -3.070 237 HD3 ARG 33 2HD ARG 33 -0.568 11.832 -2.867 238 HE ARG 33 HE ARG 33 -2.965 11.726 -4.482 239 HH11 ARG 33 1HH1 ARG 33 0.013 13.393 -3.794 240 HH12 ARG 33 2HH1 ARG 33 -0.517 14.893 -4.480 241 HH21 ARG 33 1HH2 ARG 33 -3.674 13.696 -5.388 242 HH22 ARG 33 2HH2 ARG 33 -2.614 15.065 -5.385 243 H VAL 34 H VAL 34 2.559 7.408 -3.052 244 HA VAL 34 HA VAL 34 4.907 8.522 -1.996 245 HB VAL 34 HB VAL 34 5.355 6.280 -1.062 246 HG11 VAL 34 1HG1 VAL 34 3.672 7.922 -0.101 247 HG12 VAL 34 2HG1 VAL 34 2.424 6.892 -0.804 248 HG13 VAL 34 3HG1 VAL 34 3.521 6.242 0.414 249 HG21 VAL 34 3HG2 VAL 34 3.729 5.454 -3.261 250 HG22 VAL 34 1HG2 VAL 34 4.659 4.466 -2.136 251 HG23 VAL 34 2HG2 VAL 34 2.993 4.903 -1.756 252 H HIS 35 H HIS 35 4.339 6.735 -4.886 253 HA HIS 35 HA HIS 35 7.125 5.993 -5.228 254 HB2 HIS 35 1HB HIS 35 4.670 5.617 -6.944 255 HB3 HIS 35 2HB HIS 35 6.284 5.146 -7.469 256 HD1 HIS 35 HD1 HIS 35 7.486 3.319 -5.853 257 HD2 HIS 35 HD2 HIS 35 3.367 3.728 -5.488 258 HE1 HIS 35 HE1 HIS 35 6.705 1.237 -4.679 259 H THR 36 H THR 36 4.840 8.368 -6.431 260 HA THR 36 HA THR 36 6.595 9.378 -8.467 261 HB THR 36 HB THR 36 4.953 11.202 -8.702 262 HG1 THR 36 HG1 THR 36 3.942 10.040 -6.332 263 HG21 THR 36 3HG2 THR 36 4.646 8.680 -9.503 264 HG22 THR 36 1HG2 THR 36 3.417 9.911 -9.791 265 HG23 THR 36 2HG2 THR 36 3.241 8.788 -8.442 266 H GLY 37 H GLY 37 8.519 10.011 -7.524 267 HA2 GLY 37 1HA GLY 37 9.478 12.236 -6.943 268 HA3 GLY 37 2HA GLY 37 8.317 12.266 -5.624 269 H GLU 38 H GLU 38 10.554 9.767 -6.826 270 HA GLU 38 HA GLU 38 11.583 9.526 -4.078 271 HB2 GLU 38 1HB GLU 38 11.232 7.516 -6.284 272 HB3 GLU 38 2HB GLU 38 12.368 7.226 -4.973 273 HG2 GLU 38 1HG GLU 38 9.421 7.740 -4.645 274 HG3 GLU 38 2HG GLU 38 10.202 6.161 -4.581 275 H LYS 39 H LYS 39 13.810 9.304 -3.736 276 HA LYS 39 HA LYS 39 15.441 10.624 -5.741 277 HB2 LYS 39 1HB LYS 39 16.050 9.726 -2.920 278 HB3 LYS 39 2HB LYS 39 17.190 10.574 -3.956 279 HG2 LYS 39 1HG LYS 39 15.503 12.434 -4.105 280 HG3 LYS 39 2HG LYS 39 14.600 11.604 -2.835 281 HD2 LYS 39 1HD LYS 39 16.611 11.715 -1.393 282 HD3 LYS 39 2HD LYS 39 17.427 12.644 -2.653 283 HE2 LYS 39 1HE LYS 39 15.920 14.457 -2.416 284 HE3 LYS 39 2HE LYS 39 14.816 13.501 -1.428 285 HZ1 LYS 39 3HZ LYS 39 16.932 13.347 0.095 286 HZ2 LYS 39 1HZ LYS 39 15.883 14.671 0.182 287 HZ3 LYS 39 2HZ LYS 39 17.331 14.794 -0.683 288 H LEU 40 H LEU 40 14.596 8.099 -6.562 289 HA LEU 40 HA LEU 40 16.951 6.381 -6.246 290 HB2 LEU 40 1HB LEU 40 14.213 5.827 -7.374 291 HB3 LEU 40 2HB LEU 40 15.534 4.661 -7.359 292 HG LEU 40 HG LEU 40 14.319 5.871 -4.878 293 HD11 LEU 40 1HD1 LEU 40 13.866 3.045 -5.686 294 HD12 LEU 40 2HD1 LEU 40 12.891 4.306 -6.440 295 HD13 LEU 40 3HD1 LEU 40 12.876 4.111 -4.688 296 HD21 LEU 40 3HD2 LEU 40 15.593 3.333 -4.541 297 HD22 LEU 40 1HD2 LEU 40 15.969 4.878 -3.779 298 HD23 LEU 40 2HD2 LEU 40 16.710 4.453 -5.322 299 H SER 41 H SER 41 14.736 7.331 -8.880 300 HA SER 41 HA SER 41 16.024 6.545 -11.083 301 HB2 SER 41 1HB SER 41 13.958 8.006 -10.974 302 HB3 SER 41 2HB SER 41 15.039 9.393 -10.837 303 HG SER 41 HG SER 41 14.602 7.676 -13.010 304 H GLY 42 H GLY 42 17.991 6.707 -11.930 305 HA2 GLY 42 1HA GLY 42 19.511 9.121 -11.900 306 HA3 GLY 42 2HA GLY 42 20.136 7.965 -10.734 307 HA PRO 43 HA PRO 43 22.306 5.727 -13.814 308 HB2 PRO 43 1HB PRO 43 21.618 3.127 -13.445 309 HB3 PRO 43 2HB PRO 43 22.642 4.019 -12.313 310 HG2 PRO 43 1HG PRO 43 19.714 3.414 -12.148 311 HG3 PRO 43 2HG PRO 43 20.947 3.337 -10.875 312 HD2 PRO 43 1HD PRO 43 19.234 5.419 -11.119 313 HD3 PRO 43 2HD PRO 43 20.888 5.611 -10.505 314 H SER 44 H SER 44 22.085 3.993 -15.602 315 HA SER 44 HA SER 44 20.546 4.793 -17.638 316 HB2 SER 44 1HB SER 44 22.226 2.911 -17.681 317 HB3 SER 44 2HB SER 44 20.955 1.850 -17.073 318 HG SER 44 HG SER 44 20.098 1.796 -18.993 319 H SER 45 H SER 45 19.485 2.533 -15.125 320 HA SER 45 HA SER 45 17.050 1.733 -16.037 321 HB2 SER 45 1HB SER 45 17.941 0.993 -13.891 322 HB3 SER 45 2HB SER 45 17.720 2.607 -13.216 323 HG SER 45 HG SER 45 16.020 0.761 -13.002 324 H GLY 46 H GLY 46 15.494 2.873 -16.980 325 HA2 GLY 46 1HA GLY 46 15.105 5.673 -16.385 326 HA3 GLY 46 2HA GLY 46 14.218 4.722 -17.567 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 11.444 -20.664 9.439 2 HA2 GLY 1 1HA GLY 1 9.393 -21.460 10.130 3 HA3 GLY 1 2HA GLY 1 9.463 -20.084 11.221 4 H SER 2 H SER 2 7.049 -20.433 10.878 5 HA SER 2 HA SER 2 6.131 -18.398 9.059 6 HB2 SER 2 1HB SER 2 5.364 -21.292 8.647 7 HB3 SER 2 2HB SER 2 4.427 -19.948 7.996 8 HG SER 2 HG SER 2 6.477 -21.082 6.879 9 H SER 3 H SER 3 3.875 -17.853 9.389 10 HA SER 3 HA SER 3 2.302 -19.081 11.402 11 HB2 SER 3 1HB SER 3 3.898 -18.130 12.950 12 HB3 SER 3 2HB SER 3 3.778 -16.553 12.171 13 HG SER 3 HG SER 3 2.483 -16.539 13.988 14 H GLY 4 H GLY 4 0.237 -18.563 11.035 15 HA2 GLY 4 1HA GLY 4 -1.407 -16.741 10.768 16 HA3 GLY 4 2HA GLY 4 -0.308 -16.045 9.587 17 H SER 5 H SER 5 -3.155 -17.506 9.796 18 HA SER 5 HA SER 5 -2.852 -19.370 7.585 19 HB2 SER 5 1HB SER 5 -5.100 -18.636 9.435 20 HB3 SER 5 2HB SER 5 -5.436 -19.504 7.937 21 HG SER 5 HG SER 5 -3.359 -20.502 9.470 22 H SER 6 H SER 6 -2.186 -16.767 6.880 23 HA SER 6 HA SER 6 -3.908 -14.984 5.899 24 HB2 SER 6 1HB SER 6 -1.388 -15.125 5.483 25 HB3 SER 6 2HB SER 6 -1.784 -16.104 4.070 26 HG SER 6 HG SER 6 -1.966 -13.411 4.422 27 H GLY 7 H GLY 7 -5.893 -15.381 5.133 28 HA2 GLY 7 1HA GLY 7 -6.623 -17.646 3.614 29 HA3 GLY 7 2HA GLY 7 -7.583 -16.187 3.804 30 H SER 8 H SER 8 -8.270 -16.037 1.700 31 HA SER 8 HA SER 8 -6.211 -15.224 -0.223 32 HB2 SER 8 1HB SER 8 -7.455 -16.488 -2.012 33 HB3 SER 8 2HB SER 8 -6.642 -17.511 -0.828 34 HG SER 8 HG SER 8 -8.507 -18.269 -0.235 35 H GLY 9 H GLY 9 -6.949 -13.818 -1.881 36 HA2 GLY 9 1HA GLY 9 -9.464 -12.983 -2.493 37 HA3 GLY 9 2HA GLY 9 -9.096 -12.102 -1.017 38 H GLU 10 H GLU 10 -8.201 -12.585 -4.374 39 HA GLU 10 HA GLU 10 -6.201 -10.525 -4.369 40 HB2 GLU 10 1HB GLU 10 -6.120 -12.437 -5.933 41 HB3 GLU 10 2HB GLU 10 -7.594 -11.858 -6.697 42 HG2 GLU 10 1HG GLU 10 -5.418 -11.320 -7.862 43 HG3 GLU 10 2HG GLU 10 -6.527 -9.976 -7.592 44 H LYS 11 H LYS 11 -6.380 -8.425 -4.960 45 HA LYS 11 HA LYS 11 -9.077 -7.348 -5.166 46 HB2 LYS 11 1HB LYS 11 -6.373 -6.081 -4.746 47 HB3 LYS 11 2HB LYS 11 -7.827 -5.130 -5.018 48 HG2 LYS 11 1HG LYS 11 -8.749 -6.585 -3.030 49 HG3 LYS 11 2HG LYS 11 -7.032 -6.754 -2.660 50 HD2 LYS 11 1HD LYS 11 -6.893 -4.226 -2.826 51 HD3 LYS 11 2HD LYS 11 -8.658 -4.227 -2.837 52 HE2 LYS 11 1HE LYS 11 -8.776 -5.119 -0.667 53 HE3 LYS 11 2HE LYS 11 -7.086 -5.619 -0.690 54 HZ1 LYS 11 3HZ LYS 11 -8.080 -2.821 -0.607 55 HZ2 LYS 11 1HZ LYS 11 -6.451 -3.272 -0.692 56 HZ3 LYS 11 2HZ LYS 11 -7.367 -3.666 0.674 57 HA PRO 12 HA PRO 12 -9.010 -6.531 -9.479 58 HB2 PRO 12 1HB PRO 12 -10.364 -4.181 -9.605 59 HB3 PRO 12 2HB PRO 12 -11.149 -5.723 -9.244 60 HG2 PRO 12 1HG PRO 12 -10.267 -3.562 -7.370 61 HG3 PRO 12 2HG PRO 12 -11.770 -4.503 -7.365 62 HD2 PRO 12 1HD PRO 12 -9.697 -5.060 -5.715 63 HD3 PRO 12 2HD PRO 12 -10.779 -6.318 -6.348 64 H TYR 13 H TYR 13 -8.347 -3.574 -7.590 65 HA TYR 13 HA TYR 13 -6.570 -2.620 -9.694 66 HB2 TYR 13 1HB TYR 13 -7.179 -1.222 -7.093 67 HB3 TYR 13 2HB TYR 13 -6.610 -0.514 -8.601 68 HD1 TYR 13 HD1 TYR 13 -8.163 -0.287 -10.523 69 HD2 TYR 13 HD2 TYR 13 -9.503 -1.601 -6.704 70 HE1 TYR 13 HE1 TYR 13 -10.484 0.200 -11.176 71 HE2 TYR 13 HE2 TYR 13 -11.827 -1.118 -7.347 72 HH TYR 13 HH TYR 13 -13.169 -0.861 -9.347 73 H LYS 14 H LYS 14 -4.390 -2.419 -9.512 74 HA LYS 14 HA LYS 14 -3.092 -2.994 -6.967 75 HB2 LYS 14 1HB LYS 14 -2.432 -4.556 -9.470 76 HB3 LYS 14 2HB LYS 14 -1.659 -4.722 -7.899 77 HG2 LYS 14 1HG LYS 14 -3.090 -6.492 -7.835 78 HG3 LYS 14 2HG LYS 14 -4.110 -5.246 -7.111 79 HD2 LYS 14 1HD LYS 14 -5.573 -6.067 -8.658 80 HD3 LYS 14 2HD LYS 14 -4.774 -4.842 -9.647 81 HE2 LYS 14 1HE LYS 14 -4.677 -6.670 -11.038 82 HE3 LYS 14 2HE LYS 14 -3.128 -6.794 -10.207 83 HZ1 LYS 14 3HZ LYS 14 -3.923 -8.508 -8.848 84 HZ2 LYS 14 1HZ LYS 14 -4.496 -8.894 -10.392 85 HZ3 LYS 14 2HZ LYS 14 -5.540 -8.214 -9.249 86 H CYS 15 H CYS 15 -1.157 -1.977 -6.719 87 HA CYS 15 HA CYS 15 -0.532 0.204 -8.356 88 HB2 CYS 15 1HB CYS 15 0.113 -0.133 -5.929 89 HB3 CYS 15 2HB CYS 15 1.404 -1.184 -6.501 90 H VAL 16 H VAL 16 1.370 0.598 -9.639 91 HA VAL 16 HA VAL 16 2.190 -1.794 -11.134 92 HB VAL 16 HB VAL 16 1.104 0.046 -12.408 93 HG11 VAL 16 1HG1 VAL 16 2.539 2.063 -12.872 94 HG12 VAL 16 2HG1 VAL 16 1.839 1.986 -11.254 95 HG13 VAL 16 3HG1 VAL 16 3.536 1.572 -11.503 96 HG21 VAL 16 3HG2 VAL 16 3.983 -0.526 -13.106 97 HG22 VAL 16 1HG2 VAL 16 2.583 -1.507 -13.541 98 HG23 VAL 16 2HG2 VAL 16 2.773 0.110 -14.219 99 H GLU 17 H GLU 17 3.327 0.477 -8.897 100 HA GLU 17 HA GLU 17 6.102 0.345 -9.718 101 HB2 GLU 17 1HB GLU 17 4.730 1.604 -7.342 102 HB3 GLU 17 2HB GLU 17 6.471 1.639 -7.580 103 HG2 GLU 17 1HG GLU 17 4.417 2.803 -9.447 104 HG3 GLU 17 2HG GLU 17 5.415 3.708 -8.311 105 H CYS 18 H CYS 18 4.114 -0.834 -7.024 106 HA CYS 18 HA CYS 18 6.301 -2.676 -6.313 107 HB2 CYS 18 1HB CYS 18 5.147 -2.817 -4.080 108 HB3 CYS 18 2HB CYS 18 5.827 -1.239 -4.460 109 H GLY 19 H GLY 19 2.823 -2.394 -6.849 110 HA2 GLY 19 1HA GLY 19 1.686 -4.157 -8.054 111 HA3 GLY 19 2HA GLY 19 2.751 -5.312 -7.267 112 H LYS 20 H LYS 20 1.640 -2.856 -5.203 113 HA LYS 20 HA LYS 20 0.388 -4.560 -3.411 114 HB2 LYS 20 1HB LYS 20 1.087 -1.949 -3.366 115 HB3 LYS 20 2HB LYS 20 -0.657 -1.794 -3.526 116 HG2 LYS 20 1HG LYS 20 -0.526 -1.839 -1.270 117 HG3 LYS 20 2HG LYS 20 -0.602 -3.579 -1.558 118 HD2 LYS 20 1HD LYS 20 2.065 -2.252 -1.541 119 HD3 LYS 20 2HD LYS 20 1.248 -2.525 0.000 120 HE2 LYS 20 1HE LYS 20 0.933 -4.939 -0.851 121 HE3 LYS 20 2HE LYS 20 2.186 -4.531 -2.022 122 HZ1 LYS 20 3HZ LYS 20 2.973 -5.597 0.089 123 HZ2 LYS 20 1HZ LYS 20 2.541 -4.175 0.898 124 HZ3 LYS 20 2HZ LYS 20 3.731 -4.136 -0.303 125 H GLY 21 H GLY 21 -2.059 -3.793 -2.710 126 HA2 GLY 21 1HA GLY 21 -3.767 -3.937 -5.093 127 HA3 GLY 21 2HA GLY 21 -3.915 -5.200 -3.880 128 H TYR 22 H TYR 22 -5.697 -2.929 -4.905 129 HA TYR 22 HA TYR 22 -6.596 -2.101 -2.243 130 HB2 TYR 22 1HB TYR 22 -6.087 -0.263 -4.582 131 HB3 TYR 22 2HB TYR 22 -7.110 0.186 -3.222 132 HD1 TYR 22 HD2 TYR 22 -3.663 -0.969 -4.033 133 HD2 TYR 22 HD1 TYR 22 -6.165 1.155 -1.326 134 HE1 TYR 22 HE2 TYR 22 -1.675 -0.220 -2.793 135 HE2 TYR 22 HE1 TYR 22 -4.185 1.911 -0.079 136 HH TYR 22 HH TYR 22 -0.914 0.910 -1.043 137 H LYS 23 H LYS 23 -8.823 -1.654 -2.086 138 HA LYS 23 HA LYS 23 -10.414 -3.006 -4.114 139 HB2 LYS 23 1HB LYS 23 -10.696 -3.487 -1.671 140 HB3 LYS 23 2HB LYS 23 -11.306 -1.850 -1.467 141 HG2 LYS 23 1HG LYS 23 -13.218 -2.303 -2.794 142 HG3 LYS 23 2HG LYS 23 -12.557 -3.848 -3.333 143 HD2 LYS 23 1HD LYS 23 -14.070 -4.487 -1.695 144 HD3 LYS 23 2HD LYS 23 -12.544 -4.442 -0.810 145 HE2 LYS 23 1HE LYS 23 -13.100 -2.493 0.305 146 HE3 LYS 23 2HE LYS 23 -14.276 -2.009 -0.916 147 HZ1 LYS 23 3HZ LYS 23 -14.574 -4.093 1.167 148 HZ2 LYS 23 1HZ LYS 23 -15.626 -3.968 -0.152 149 HZ3 LYS 23 2HZ LYS 23 -15.501 -2.694 0.953 150 H ARG 24 H ARG 24 -9.635 0.178 -3.114 151 HA ARG 24 HA ARG 24 -11.783 1.246 -4.827 152 HB2 ARG 24 1HB ARG 24 -12.263 1.953 -2.607 153 HB3 ARG 24 2HB ARG 24 -10.583 2.374 -2.303 154 HG2 ARG 24 1HG ARG 24 -11.729 4.408 -2.589 155 HG3 ARG 24 2HG ARG 24 -10.832 4.142 -4.086 156 HD2 ARG 24 1HD ARG 24 -13.101 4.924 -4.538 157 HD3 ARG 24 2HD ARG 24 -12.851 3.291 -5.155 158 HE ARG 24 HE ARG 24 -13.915 2.886 -2.694 159 HH11 ARG 24 1HH1 ARG 24 -14.877 4.768 -5.460 160 HH12 ARG 24 2HH1 ARG 24 -16.572 4.620 -5.135 161 HH21 ARG 24 1HH2 ARG 24 -16.144 2.684 -2.255 162 HH22 ARG 24 2HH2 ARG 24 -17.292 3.435 -3.311 163 H ARG 25 H ARG 25 -10.771 1.584 -6.726 164 HA ARG 25 HA ARG 25 -8.218 2.032 -7.385 165 HB2 ARG 25 1HB ARG 25 -10.080 1.989 -9.006 166 HB3 ARG 25 2HB ARG 25 -10.530 3.617 -8.519 167 HG2 ARG 25 1HG ARG 25 -8.580 4.548 -9.452 168 HG3 ARG 25 2HG ARG 25 -7.817 2.966 -9.625 169 HD2 ARG 25 1HD ARG 25 -8.516 3.497 -11.788 170 HD3 ARG 25 2HD ARG 25 -9.767 2.410 -11.189 171 HE ARG 25 HE ARG 25 -11.272 4.151 -11.235 172 HH11 ARG 25 1HH1 ARG 25 -8.045 5.363 -11.716 173 HH12 ARG 25 2HH1 ARG 25 -8.569 6.950 -12.172 174 HH21 ARG 25 1HH2 ARG 25 -11.975 6.237 -11.834 175 HH22 ARG 25 2HH2 ARG 25 -10.804 7.447 -12.238 176 H LEU 26 H LEU 26 -10.386 4.475 -6.040 177 HA LEU 26 HA LEU 26 -8.727 6.706 -6.306 178 HB2 LEU 26 1HB LEU 26 -11.168 6.595 -5.591 179 HB3 LEU 26 2HB LEU 26 -10.563 6.237 -3.974 180 HG LEU 26 HG LEU 26 -11.222 8.636 -4.434 181 HD11 LEU 26 1HD1 LEU 26 -9.830 9.276 -2.794 182 HD12 LEU 26 2HD1 LEU 26 -8.390 8.760 -3.672 183 HD13 LEU 26 3HD1 LEU 26 -9.352 7.578 -2.786 184 HD21 LEU 26 3HD2 LEU 26 -9.791 8.373 -6.707 185 HD22 LEU 26 1HD2 LEU 26 -8.591 9.129 -5.658 186 HD23 LEU 26 2HD2 LEU 26 -10.143 9.921 -5.936 187 H ASP 27 H ASP 27 -8.995 4.359 -3.660 188 HA ASP 27 HA ASP 27 -7.212 5.534 -1.875 189 HB2 ASP 27 1HB ASP 27 -8.751 3.427 -1.645 190 HB3 ASP 27 2HB ASP 27 -7.318 2.554 -2.180 191 H LEU 28 H LEU 28 -6.540 3.000 -4.292 192 HA LEU 28 HA LEU 28 -3.771 2.890 -3.866 193 HB2 LEU 28 1HB LEU 28 -4.708 1.102 -5.038 194 HB3 LEU 28 2HB LEU 28 -5.541 2.164 -6.172 195 HG LEU 28 HG LEU 28 -3.023 2.766 -6.824 196 HD11 LEU 28 1HD1 LEU 28 -2.783 0.452 -5.142 197 HD12 LEU 28 2HD1 LEU 28 -1.522 1.420 -5.904 198 HD13 LEU 28 3HD1 LEU 28 -2.253 0.077 -6.782 199 HD21 LEU 28 3HD2 LEU 28 -3.313 0.629 -8.404 200 HD22 LEU 28 1HD2 LEU 28 -4.250 2.109 -8.610 201 HD23 LEU 28 2HD2 LEU 28 -4.953 0.731 -7.763 202 H ASP 29 H ASP 29 -5.679 4.750 -6.212 203 HA ASP 29 HA ASP 29 -3.673 5.913 -7.688 204 HB2 ASP 29 1HB ASP 29 -6.172 6.170 -8.007 205 HB3 ASP 29 2HB ASP 29 -6.125 7.407 -6.754 206 H PHE 30 H PHE 30 -4.672 6.640 -4.424 207 HA PHE 30 HA PHE 30 -3.074 9.051 -4.284 208 HB2 PHE 30 1HB PHE 30 -5.311 8.420 -3.004 209 HB3 PHE 30 2HB PHE 30 -4.179 7.739 -1.841 210 HD1 PHE 30 HD2 PHE 30 -5.207 10.842 -3.550 211 HD2 PHE 30 HD1 PHE 30 -2.928 9.121 -0.393 212 HE1 PHE 30 HE2 PHE 30 -4.866 13.078 -2.582 213 HE2 PHE 30 HE1 PHE 30 -2.584 11.354 0.580 214 HZ PHE 30 HZ PHE 30 -3.552 13.337 -0.515 215 H HIS 31 H HIS 31 -2.677 5.693 -3.721 216 HA HIS 31 HA HIS 31 -0.582 5.838 -1.798 217 HB2 HIS 31 1HB HIS 31 -1.505 3.736 -1.791 218 HB3 HIS 31 2HB HIS 31 -1.754 3.722 -3.534 219 HD1 HIS 31 HD1 HIS 31 0.994 3.253 -0.979 220 HD2 HIS 31 HD2 HIS 31 0.188 2.432 -4.972 221 HE1 HIS 31 HE1 HIS 31 2.880 1.782 -1.757 222 H GLN 32 H GLN 32 -0.621 5.381 -5.323 223 HA GLN 32 HA GLN 32 2.024 5.025 -5.865 224 HB2 GLN 32 1HB GLN 32 0.008 6.696 -7.367 225 HB3 GLN 32 2HB GLN 32 1.599 6.299 -8.002 226 HG2 GLN 32 1HG GLN 32 1.089 4.057 -8.245 227 HG3 GLN 32 2HG GLN 32 -0.239 4.131 -7.088 228 HE21 GLN 32 1HE2 GLN 32 -1.763 3.267 -8.436 229 HE22 GLN 32 2HE2 GLN 32 -2.363 4.083 -9.836 230 H ARG 33 H ARG 33 0.500 7.895 -4.667 231 HA ARG 33 HA ARG 33 2.169 9.930 -5.384 232 HB2 ARG 33 1HB ARG 33 1.050 9.449 -2.616 233 HB3 ARG 33 2HB ARG 33 1.636 10.989 -3.230 234 HG2 ARG 33 1HG ARG 33 -0.505 9.608 -4.752 235 HG3 ARG 33 2HG ARG 33 -0.928 10.372 -3.219 236 HD2 ARG 33 1HD ARG 33 -1.279 12.093 -4.714 237 HD3 ARG 33 2HD ARG 33 0.373 12.407 -4.186 238 HE ARG 33 HE ARG 33 0.761 10.890 -6.362 239 HH11 ARG 33 1HH1 ARG 33 -1.233 13.688 -5.801 240 HH12 ARG 33 2HH1 ARG 33 -1.125 14.255 -7.435 241 HH21 ARG 33 1HH2 ARG 33 0.911 11.626 -8.516 242 HH22 ARG 33 2HH2 ARG 33 0.094 13.080 -8.979 243 H VAL 34 H VAL 34 2.760 7.452 -2.941 244 HA VAL 34 HA VAL 34 5.115 8.528 -1.852 245 HB VAL 34 HB VAL 34 5.555 6.360 -0.935 246 HG11 VAL 34 1HG1 VAL 34 3.886 6.965 0.427 247 HG12 VAL 34 2HG1 VAL 34 2.856 7.476 -0.912 248 HG13 VAL 34 3HG1 VAL 34 2.923 5.776 -0.448 249 HG21 VAL 34 3HG2 VAL 34 4.287 4.363 -1.646 250 HG22 VAL 34 1HG2 VAL 34 3.573 5.310 -2.952 251 HG23 VAL 34 2HG2 VAL 34 5.311 5.010 -2.928 252 H HIS 35 H HIS 35 4.585 6.336 -4.579 253 HA HIS 35 HA HIS 35 7.315 5.828 -5.111 254 HB2 HIS 35 1HB HIS 35 4.850 5.643 -6.843 255 HB3 HIS 35 2HB HIS 35 6.449 5.155 -7.397 256 HD1 HIS 35 HD1 HIS 35 7.592 3.204 -5.866 257 HD2 HIS 35 HD2 HIS 35 3.477 3.689 -5.554 258 HE1 HIS 35 HE1 HIS 35 6.739 1.071 -4.841 259 H THR 36 H THR 36 5.058 8.282 -6.255 260 HA THR 36 HA THR 36 6.853 9.397 -8.180 261 HB THR 36 HB THR 36 5.246 11.316 -8.213 262 HG1 THR 36 HG1 THR 36 3.283 10.967 -6.989 263 HG21 THR 36 3HG2 THR 36 3.859 10.187 -9.598 264 HG22 THR 36 1HG2 THR 36 3.485 8.956 -8.392 265 HG23 THR 36 2HG2 THR 36 4.986 8.862 -9.313 266 H GLY 37 H GLY 37 8.789 9.805 -7.065 267 HA2 GLY 37 1HA GLY 37 8.669 11.825 -4.931 268 HA3 GLY 37 2HA GLY 37 10.039 10.778 -5.272 269 H GLU 38 H GLU 38 9.514 11.442 -8.235 270 HA GLU 38 HA GLU 38 10.581 12.775 -9.751 271 HB2 GLU 38 1HB GLU 38 9.430 14.903 -7.937 272 HB3 GLU 38 2HB GLU 38 10.032 15.183 -9.564 273 HG2 GLU 38 1HG GLU 38 8.318 13.570 -10.393 274 HG3 GLU 38 2HG GLU 38 7.654 13.529 -8.761 275 H LYS 39 H LYS 39 12.424 11.777 -8.091 276 HA LYS 39 HA LYS 39 14.253 14.045 -7.681 277 HB2 LYS 39 1HB LYS 39 15.175 12.942 -5.703 278 HB3 LYS 39 2HB LYS 39 13.460 13.270 -5.495 279 HG2 LYS 39 1HG LYS 39 12.892 10.996 -5.815 280 HG3 LYS 39 2HG LYS 39 14.514 10.601 -6.386 281 HD2 LYS 39 1HD LYS 39 15.269 11.431 -4.048 282 HD3 LYS 39 2HD LYS 39 13.578 11.194 -3.603 283 HE2 LYS 39 1HE LYS 39 15.360 9.088 -4.823 284 HE3 LYS 39 2HE LYS 39 15.002 9.234 -3.103 285 HZ1 LYS 39 3HZ LYS 39 13.571 7.799 -4.929 286 HZ2 LYS 39 1HZ LYS 39 12.633 9.189 -4.700 287 HZ3 LYS 39 2HZ LYS 39 13.056 8.225 -3.376 288 H LEU 40 H LEU 40 14.103 12.526 -10.018 289 HA LEU 40 HA LEU 40 16.243 10.560 -9.901 290 HB2 LEU 40 1HB LEU 40 14.342 11.471 -12.031 291 HB3 LEU 40 2HB LEU 40 15.748 10.486 -12.429 292 HG LEU 40 HG LEU 40 13.833 9.539 -10.341 293 HD11 LEU 40 1HD1 LEU 40 12.397 8.549 -11.943 294 HD12 LEU 40 2HD1 LEU 40 13.436 9.040 -13.281 295 HD13 LEU 40 3HD1 LEU 40 12.535 10.254 -12.374 296 HD21 LEU 40 3HD2 LEU 40 14.569 7.395 -11.770 297 HD22 LEU 40 1HD2 LEU 40 15.504 8.017 -10.410 298 HD23 LEU 40 2HD2 LEU 40 15.966 8.433 -12.061 299 H SER 41 H SER 41 15.656 13.815 -11.048 300 HA SER 41 HA SER 41 17.061 15.459 -11.755 301 HB2 SER 41 1HB SER 41 19.320 13.643 -10.887 302 HB3 SER 41 2HB SER 41 19.381 15.393 -11.097 303 HG SER 41 HG SER 41 17.456 14.433 -9.347 304 H GLY 42 H GLY 42 16.108 13.651 -13.648 305 HA2 GLY 42 1HA GLY 42 17.321 14.227 -15.955 306 HA3 GLY 42 2HA GLY 42 18.336 12.918 -15.369 307 HA PRO 43 HA PRO 43 13.986 10.930 -16.024 308 HB2 PRO 43 1HB PRO 43 12.054 12.504 -17.101 309 HB3 PRO 43 2HB PRO 43 12.320 12.366 -15.359 310 HG2 PRO 43 1HG PRO 43 13.226 14.503 -17.250 311 HG3 PRO 43 2HG PRO 43 12.542 14.665 -15.622 312 HD2 PRO 43 1HD PRO 43 15.200 14.844 -16.110 313 HD3 PRO 43 2HD PRO 43 14.549 14.188 -14.594 314 H SER 44 H SER 44 14.387 13.552 -18.416 315 HA SER 44 HA SER 44 15.369 11.872 -20.450 316 HB2 SER 44 1HB SER 44 13.005 11.039 -20.367 317 HB3 SER 44 2HB SER 44 12.470 12.655 -20.829 318 HG SER 44 HG SER 44 12.910 10.898 -22.516 319 H SER 45 H SER 45 16.742 13.352 -21.207 320 HA SER 45 HA SER 45 17.534 15.206 -22.263 321 HB2 SER 45 1HB SER 45 15.501 14.746 -23.736 322 HB3 SER 45 2HB SER 45 14.673 15.999 -22.812 323 HG SER 45 HG SER 45 17.142 16.395 -24.150 324 H GLY 46 H GLY 46 17.269 15.327 -19.516 325 HA2 GLY 46 1HA GLY 46 17.709 17.929 -18.867 326 HA3 GLY 46 2HA GLY 46 15.963 17.775 -18.739 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 12.209 -11.337 -1.484 2 HA2 GLY 1 1HA GLY 1 9.288 -10.975 -1.555 3 HA3 GLY 1 2HA GLY 1 10.160 -12.341 -2.234 4 H SER 2 H SER 2 7.925 -12.057 -0.208 5 HA SER 2 HA SER 2 8.966 -14.050 1.628 6 HB2 SER 2 1HB SER 2 9.427 -11.931 2.793 7 HB3 SER 2 2HB SER 2 7.729 -11.477 2.640 8 HG SER 2 HG SER 2 8.934 -13.347 4.315 9 H SER 3 H SER 3 7.218 -15.011 2.966 10 HA SER 3 HA SER 3 4.613 -14.833 1.599 11 HB2 SER 3 1HB SER 3 4.345 -17.273 2.145 12 HB3 SER 3 2HB SER 3 5.625 -16.929 0.982 13 HG SER 3 HG SER 3 6.388 -16.946 3.642 14 H GLY 4 H GLY 4 2.987 -14.237 2.865 15 HA2 GLY 4 1HA GLY 4 1.979 -15.123 5.120 16 HA3 GLY 4 2HA GLY 4 3.378 -14.279 5.768 17 H SER 5 H SER 5 0.187 -13.985 4.557 18 HA SER 5 HA SER 5 -0.122 -11.369 5.586 19 HB2 SER 5 1HB SER 5 0.471 -11.649 2.680 20 HB3 SER 5 2HB SER 5 -0.780 -10.498 3.148 21 HG SER 5 HG SER 5 0.781 -9.206 3.658 22 H SER 6 H SER 6 -2.066 -11.678 6.446 23 HA SER 6 HA SER 6 -4.011 -13.445 5.362 24 HB2 SER 6 1HB SER 6 -4.013 -11.445 7.608 25 HB3 SER 6 2HB SER 6 -5.506 -12.247 7.118 26 HG SER 6 HG SER 6 -3.363 -13.231 8.509 27 H GLY 7 H GLY 7 -4.340 -12.703 3.222 28 HA2 GLY 7 1HA GLY 7 -6.191 -10.418 3.090 29 HA3 GLY 7 2HA GLY 7 -4.834 -10.495 1.977 30 H SER 8 H SER 8 -6.995 -13.067 3.125 31 HA SER 8 HA SER 8 -7.217 -14.371 0.689 32 HB2 SER 8 1HB SER 8 -7.921 -15.257 2.942 33 HB3 SER 8 2HB SER 8 -9.385 -14.284 2.797 34 HG SER 8 HG SER 8 -9.146 -16.672 1.951 35 H GLY 9 H GLY 9 -7.784 -13.359 -1.142 36 HA2 GLY 9 1HA GLY 9 -9.962 -12.900 -2.339 37 HA3 GLY 9 2HA GLY 9 -10.221 -11.690 -1.090 38 H GLU 10 H GLU 10 -8.396 -12.533 -3.947 39 HA GLU 10 HA GLU 10 -6.538 -10.551 -4.151 40 HB2 GLU 10 1HB GLU 10 -8.339 -11.642 -6.316 41 HB3 GLU 10 2HB GLU 10 -6.939 -10.626 -6.631 42 HG2 GLU 10 1HG GLU 10 -7.026 -13.418 -5.558 43 HG3 GLU 10 2HG GLU 10 -6.180 -12.800 -6.975 44 H LYS 11 H LYS 11 -6.507 -8.484 -5.226 45 HA LYS 11 HA LYS 11 -8.991 -6.982 -4.766 46 HB2 LYS 11 1HB LYS 11 -6.103 -6.108 -4.859 47 HB3 LYS 11 2HB LYS 11 -7.449 -4.977 -4.801 48 HG2 LYS 11 1HG LYS 11 -7.144 -7.117 -2.730 49 HG3 LYS 11 2HG LYS 11 -6.262 -5.593 -2.612 50 HD2 LYS 11 1HD LYS 11 -8.570 -4.491 -2.960 51 HD3 LYS 11 2HD LYS 11 -9.221 -6.074 -2.531 52 HE2 LYS 11 1HE LYS 11 -7.148 -4.849 -0.777 53 HE3 LYS 11 2HE LYS 11 -8.795 -4.225 -0.703 54 HZ1 LYS 11 3HZ LYS 11 -7.801 -6.909 -0.011 55 HZ2 LYS 11 1HZ LYS 11 -9.417 -6.701 -0.466 56 HZ3 LYS 11 2HZ LYS 11 -8.805 -5.880 0.880 57 HA PRO 12 HA PRO 12 -9.534 -6.153 -9.044 58 HB2 PRO 12 1HB PRO 12 -10.665 -3.687 -8.945 59 HB3 PRO 12 2HB PRO 12 -11.523 -5.158 -8.470 60 HG2 PRO 12 1HG PRO 12 -10.160 -3.121 -6.751 61 HG3 PRO 12 2HG PRO 12 -11.725 -3.921 -6.512 62 HD2 PRO 12 1HD PRO 12 -9.479 -4.697 -5.214 63 HD3 PRO 12 2HD PRO 12 -10.759 -5.838 -5.672 64 H TYR 13 H TYR 13 -8.299 -3.314 -7.268 65 HA TYR 13 HA TYR 13 -6.696 -2.596 -9.617 66 HB2 TYR 13 1HB TYR 13 -7.127 -0.951 -7.121 67 HB3 TYR 13 2HB TYR 13 -6.500 -0.403 -8.671 68 HD1 TYR 13 HD1 TYR 13 -8.022 -0.175 -10.611 69 HD2 TYR 13 HD2 TYR 13 -9.478 -1.134 -6.729 70 HE1 TYR 13 HE1 TYR 13 -10.295 0.445 -11.316 71 HE2 TYR 13 HE2 TYR 13 -11.755 -0.518 -7.424 72 HH TYR 13 HH TYR 13 -12.397 0.805 -10.647 73 H LYS 14 H LYS 14 -4.495 -2.465 -9.565 74 HA LYS 14 HA LYS 14 -3.108 -3.017 -7.049 75 HB2 LYS 14 1HB LYS 14 -2.635 -4.576 -9.597 76 HB3 LYS 14 2HB LYS 14 -1.700 -4.727 -8.114 77 HG2 LYS 14 1HG LYS 14 -3.100 -6.487 -7.839 78 HG3 LYS 14 2HG LYS 14 -4.092 -5.230 -7.095 79 HD2 LYS 14 1HD LYS 14 -5.577 -5.184 -8.831 80 HD3 LYS 14 2HD LYS 14 -4.364 -5.660 -10.023 81 HE2 LYS 14 1HE LYS 14 -5.297 -7.570 -7.908 82 HE3 LYS 14 2HE LYS 14 -6.213 -7.345 -9.397 83 HZ1 LYS 14 3HZ LYS 14 -3.940 -8.924 -8.984 84 HZ2 LYS 14 1HZ LYS 14 -3.521 -7.696 -10.070 85 HZ3 LYS 14 2HZ LYS 14 -4.826 -8.718 -10.410 86 H CYS 15 H CYS 15 -1.208 -1.959 -6.835 87 HA CYS 15 HA CYS 15 -0.593 0.177 -8.547 88 HB2 CYS 15 1HB CYS 15 0.020 -0.028 -6.107 89 HB3 CYS 15 2HB CYS 15 1.308 -1.126 -6.593 90 H VAL 16 H VAL 16 1.380 0.534 -9.769 91 HA VAL 16 HA VAL 16 2.193 -1.897 -11.202 92 HB VAL 16 HB VAL 16 1.183 -0.011 -12.507 93 HG11 VAL 16 1HG1 VAL 16 2.938 1.838 -13.010 94 HG12 VAL 16 2HG1 VAL 16 1.939 1.960 -11.560 95 HG13 VAL 16 3HG1 VAL 16 3.603 1.385 -11.441 96 HG21 VAL 16 3HG2 VAL 16 3.730 -1.361 -13.036 97 HG22 VAL 16 1HG2 VAL 16 2.275 -1.249 -14.026 98 HG23 VAL 16 2HG2 VAL 16 3.445 0.071 -14.026 99 H GLU 17 H GLU 17 3.335 0.502 -9.052 100 HA GLU 17 HA GLU 17 6.120 0.243 -9.759 101 HB2 GLU 17 1HB GLU 17 4.862 1.507 -7.318 102 HB3 GLU 17 2HB GLU 17 6.534 1.687 -7.832 103 HG2 GLU 17 1HG GLU 17 5.691 3.611 -8.671 104 HG3 GLU 17 2HG GLU 17 5.380 2.553 -10.046 105 H CYS 18 H CYS 18 4.104 -0.708 -6.982 106 HA CYS 18 HA CYS 18 6.216 -2.583 -6.168 107 HB2 CYS 18 1HB CYS 18 4.967 -2.668 -3.996 108 HB3 CYS 18 2HB CYS 18 5.612 -1.078 -4.395 109 H GLY 19 H GLY 19 2.748 -2.346 -6.829 110 HA2 GLY 19 1HA GLY 19 1.651 -4.121 -8.042 111 HA3 GLY 19 2HA GLY 19 2.734 -5.262 -7.259 112 H LYS 20 H LYS 20 1.522 -2.829 -5.208 113 HA LYS 20 HA LYS 20 0.305 -4.584 -3.430 114 HB2 LYS 20 1HB LYS 20 0.105 -1.623 -3.860 115 HB3 LYS 20 2HB LYS 20 -0.927 -2.409 -2.672 116 HG2 LYS 20 1HG LYS 20 2.072 -2.642 -2.686 117 HG3 LYS 20 2HG LYS 20 1.182 -1.430 -1.762 118 HD2 LYS 20 1HD LYS 20 0.368 -2.963 -0.276 119 HD3 LYS 20 2HD LYS 20 0.379 -4.275 -1.457 120 HE2 LYS 20 1HE LYS 20 2.133 -4.935 -0.161 121 HE3 LYS 20 2HE LYS 20 2.997 -3.898 -1.294 122 HZ1 LYS 20 3HZ LYS 20 2.217 -2.169 0.629 123 HZ2 LYS 20 1HZ LYS 20 3.746 -2.888 0.531 124 HZ3 LYS 20 2HZ LYS 20 2.557 -3.561 1.528 125 H GLY 21 H GLY 21 -2.163 -3.892 -2.744 126 HA2 GLY 21 1HA GLY 21 -3.856 -4.007 -5.135 127 HA3 GLY 21 2HA GLY 21 -3.965 -5.329 -3.982 128 H TYR 22 H TYR 22 -5.356 -2.500 -4.902 129 HA TYR 22 HA TYR 22 -6.427 -1.997 -2.203 130 HB2 TYR 22 1HB TYR 22 -5.973 -0.100 -4.505 131 HB3 TYR 22 2HB TYR 22 -6.984 0.306 -3.123 132 HD1 TYR 22 HD2 TYR 22 -3.533 -0.759 -4.024 133 HD2 TYR 22 HD1 TYR 22 -6.027 1.212 -1.196 134 HE1 TYR 22 HE2 TYR 22 -1.539 -0.015 -2.792 135 HE2 TYR 22 HE1 TYR 22 -4.039 1.963 0.043 136 HH TYR 22 HH TYR 22 -0.960 1.895 -1.209 137 H LYS 23 H LYS 23 -8.561 -2.194 -1.898 138 HA LYS 23 HA LYS 23 -10.217 -3.516 -3.669 139 HB2 LYS 23 1HB LYS 23 -10.525 -3.066 -1.154 140 HB3 LYS 23 2HB LYS 23 -11.279 -1.556 -1.646 141 HG2 LYS 23 1HG LYS 23 -12.932 -2.823 -2.947 142 HG3 LYS 23 2HG LYS 23 -12.189 -4.327 -2.397 143 HD2 LYS 23 1HD LYS 23 -13.854 -4.141 -0.846 144 HD3 LYS 23 2HD LYS 23 -12.590 -3.227 -0.021 145 HE2 LYS 23 1HE LYS 23 -13.597 -1.204 -0.433 146 HE3 LYS 23 2HE LYS 23 -14.423 -1.788 -1.877 147 HZ1 LYS 23 3HZ LYS 23 -15.442 -1.568 0.707 148 HZ2 LYS 23 1HZ LYS 23 -15.358 -3.220 0.351 149 HZ3 LYS 23 2HZ LYS 23 -16.217 -2.178 -0.668 150 H ARG 24 H ARG 24 -9.779 -0.044 -3.212 151 HA ARG 24 HA ARG 24 -11.366 0.396 -5.656 152 HB2 ARG 24 1HB ARG 24 -11.917 2.654 -4.689 153 HB3 ARG 24 2HB ARG 24 -12.649 1.289 -3.857 154 HG2 ARG 24 1HG ARG 24 -11.060 1.440 -2.074 155 HG3 ARG 24 2HG ARG 24 -10.135 2.665 -2.944 156 HD2 ARG 24 1HD ARG 24 -12.201 4.106 -2.877 157 HD3 ARG 24 2HD ARG 24 -12.897 2.921 -1.774 158 HE ARG 24 HE ARG 24 -10.320 3.980 -0.991 159 HH11 ARG 24 1HH1 ARG 24 -13.783 4.255 -0.753 160 HH12 ARG 24 2HH1 ARG 24 -13.741 5.145 0.733 161 HH21 ARG 24 1HH2 ARG 24 -10.252 5.151 0.965 162 HH22 ARG 24 2HH2 ARG 24 -11.732 5.655 1.709 163 H ARG 25 H ARG 25 -10.498 1.689 -7.205 164 HA ARG 25 HA ARG 25 -7.748 2.036 -7.362 165 HB2 ARG 25 1HB ARG 25 -9.623 2.165 -9.188 166 HB3 ARG 25 2HB ARG 25 -9.593 3.886 -8.826 167 HG2 ARG 25 1HG ARG 25 -7.406 4.133 -9.590 168 HG3 ARG 25 2HG ARG 25 -7.082 2.400 -9.498 169 HD2 ARG 25 1HD ARG 25 -7.336 3.022 -11.805 170 HD3 ARG 25 2HD ARG 25 -8.722 2.046 -11.321 171 HE ARG 25 HE ARG 25 -9.229 4.838 -11.038 172 HH11 ARG 25 1HH1 ARG 25 -9.089 2.234 -13.345 173 HH12 ARG 25 2HH1 ARG 25 -10.204 2.975 -14.444 174 HH21 ARG 25 1HH2 ARG 25 -10.698 5.823 -12.477 175 HH22 ARG 25 2HH2 ARG 25 -11.118 5.017 -13.950 176 H LEU 26 H LEU 26 -10.243 4.457 -6.593 177 HA LEU 26 HA LEU 26 -8.881 6.750 -6.348 178 HB2 LEU 26 1HB LEU 26 -11.296 6.094 -5.609 179 HB3 LEU 26 2HB LEU 26 -10.560 5.933 -4.016 180 HG LEU 26 HG LEU 26 -11.668 8.111 -4.364 181 HD11 LEU 26 1HD1 LEU 26 -9.797 9.496 -3.577 182 HD12 LEU 26 2HD1 LEU 26 -8.673 8.215 -4.031 183 HD13 LEU 26 3HD1 LEU 26 -9.863 7.934 -2.760 184 HD21 LEU 26 3HD2 LEU 26 -11.367 9.337 -6.192 185 HD22 LEU 26 1HD2 LEU 26 -10.441 7.996 -6.866 186 HD23 LEU 26 2HD2 LEU 26 -9.613 9.293 -6.005 187 H ASP 27 H ASP 27 -8.966 4.283 -3.778 188 HA ASP 27 HA ASP 27 -7.207 5.556 -2.019 189 HB2 ASP 27 1HB ASP 27 -8.703 3.390 -1.774 190 HB3 ASP 27 2HB ASP 27 -7.205 2.575 -2.218 191 H LEU 28 H LEU 28 -6.535 3.063 -4.470 192 HA LEU 28 HA LEU 28 -3.795 2.840 -4.069 193 HB2 LEU 28 1HB LEU 28 -4.847 1.249 -5.448 194 HB3 LEU 28 2HB LEU 28 -5.510 2.491 -6.508 195 HG LEU 28 HG LEU 28 -2.910 2.927 -6.938 196 HD11 LEU 28 1HD1 LEU 28 -1.795 1.354 -5.728 197 HD12 LEU 28 2HD1 LEU 28 -2.060 0.435 -7.210 198 HD13 LEU 28 3HD1 LEU 28 -3.113 0.185 -5.818 199 HD21 LEU 28 3HD2 LEU 28 -4.666 2.434 -8.605 200 HD22 LEU 28 1HD2 LEU 28 -4.472 0.714 -8.264 201 HD23 LEU 28 2HD2 LEU 28 -3.136 1.630 -8.961 202 H ASP 29 H ASP 29 -5.518 4.929 -6.384 203 HA ASP 29 HA ASP 29 -3.409 6.186 -7.593 204 HB2 ASP 29 1HB ASP 29 -5.999 6.503 -7.854 205 HB3 ASP 29 2HB ASP 29 -5.756 7.835 -6.728 206 H PHE 30 H PHE 30 -4.744 6.813 -4.398 207 HA PHE 30 HA PHE 30 -3.159 9.145 -3.918 208 HB2 PHE 30 1HB PHE 30 -5.388 8.275 -2.770 209 HB3 PHE 30 2HB PHE 30 -4.246 7.517 -1.666 210 HD1 PHE 30 HD1 PHE 30 -2.537 8.993 -0.514 211 HD2 PHE 30 HD2 PHE 30 -5.937 10.531 -2.563 212 HE1 PHE 30 HE1 PHE 30 -2.314 11.115 0.713 213 HE2 PHE 30 HE2 PHE 30 -5.718 12.654 -1.340 214 HZ PHE 30 HZ PHE 30 -3.904 12.949 0.300 215 H HIS 31 H HIS 31 -2.675 5.741 -3.607 216 HA HIS 31 HA HIS 31 -0.540 5.864 -1.710 217 HB2 HIS 31 1HB HIS 31 -1.463 3.759 -1.709 218 HB3 HIS 31 2HB HIS 31 -1.746 3.765 -3.447 219 HD1 HIS 31 HD1 HIS 31 1.048 3.272 -0.950 220 HD2 HIS 31 HD2 HIS 31 0.180 2.512 -4.941 221 HE1 HIS 31 HE1 HIS 31 2.928 1.823 -1.783 222 H GLN 32 H GLN 32 -0.693 5.471 -5.240 223 HA GLN 32 HA GLN 32 1.931 5.128 -5.878 224 HB2 GLN 32 1HB GLN 32 -0.162 6.799 -7.263 225 HB3 GLN 32 2HB GLN 32 1.423 6.495 -7.961 226 HG2 GLN 32 1HG GLN 32 0.992 4.262 -8.313 227 HG3 GLN 32 2HG GLN 32 -0.261 4.201 -7.074 228 HE21 GLN 32 1HE2 GLN 32 -1.776 3.282 -8.422 229 HE22 GLN 32 2HE2 GLN 32 -2.526 4.148 -9.715 230 H ARG 33 H ARG 33 0.501 7.910 -4.451 231 HA ARG 33 HA ARG 33 2.153 9.976 -5.216 232 HB2 ARG 33 1HB ARG 33 0.880 9.372 -2.550 233 HB3 ARG 33 2HB ARG 33 1.757 10.864 -2.860 234 HG2 ARG 33 1HG ARG 33 0.187 11.256 -4.787 235 HG3 ARG 33 2HG ARG 33 -0.764 9.900 -4.178 236 HD2 ARG 33 1HD ARG 33 -1.786 11.776 -3.237 237 HD3 ARG 33 2HD ARG 33 -0.762 11.153 -1.943 238 HE ARG 33 HE ARG 33 0.860 12.946 -3.041 239 HH11 ARG 33 1HH1 ARG 33 -2.515 13.168 -2.216 240 HH12 ARG 33 2HH1 ARG 33 -2.461 14.871 -1.904 241 HH21 ARG 33 1HH2 ARG 33 0.944 15.189 -2.633 242 HH22 ARG 33 2HH2 ARG 33 -0.493 16.020 -2.142 243 H VAL 34 H VAL 34 2.780 7.400 -2.902 244 HA VAL 34 HA VAL 34 5.169 8.453 -1.823 245 HB VAL 34 HB VAL 34 5.610 6.228 -0.979 246 HG11 VAL 34 1HG1 VAL 34 3.592 5.863 0.292 247 HG12 VAL 34 2HG1 VAL 34 3.851 7.598 0.096 248 HG13 VAL 34 3HG1 VAL 34 2.645 6.768 -0.888 249 HG21 VAL 34 3HG2 VAL 34 5.209 4.759 -2.738 250 HG22 VAL 34 1HG2 VAL 34 3.892 4.412 -1.618 251 HG23 VAL 34 2HG2 VAL 34 3.598 5.409 -3.043 252 H HIS 35 H HIS 35 4.481 6.499 -4.659 253 HA HIS 35 HA HIS 35 7.222 5.898 -5.227 254 HB2 HIS 35 1HB HIS 35 4.714 5.698 -6.901 255 HB3 HIS 35 2HB HIS 35 6.299 5.169 -7.455 256 HD1 HIS 35 HD1 HIS 35 7.437 3.391 -5.558 257 HD2 HIS 35 HD2 HIS 35 3.303 3.646 -5.879 258 HE1 HIS 35 HE1 HIS 35 6.553 1.261 -4.556 259 H THR 36 H THR 36 4.933 8.374 -6.207 260 HA THR 36 HA THR 36 6.428 9.465 -8.333 261 HB THR 36 HB THR 36 5.035 11.453 -8.106 262 HG1 THR 36 HG1 THR 36 3.616 11.639 -6.333 263 HG21 THR 36 3HG2 THR 36 3.734 9.997 -9.261 264 HG22 THR 36 1HG2 THR 36 2.746 10.075 -7.803 265 HG23 THR 36 2HG2 THR 36 3.869 8.736 -8.037 266 H GLY 37 H GLY 37 6.473 10.028 -4.859 267 HA2 GLY 37 1HA GLY 37 8.325 12.248 -5.101 268 HA3 GLY 37 2HA GLY 37 7.707 11.560 -3.606 269 H GLU 38 H GLU 38 9.363 9.913 -6.269 270 HA GLU 38 HA GLU 38 11.367 8.991 -4.332 271 HB2 GLU 38 1HB GLU 38 9.894 7.459 -5.912 272 HB3 GLU 38 2HB GLU 38 11.153 7.842 -7.078 273 HG2 GLU 38 1HG GLU 38 11.572 5.736 -5.907 274 HG3 GLU 38 2HG GLU 38 12.841 6.925 -5.622 275 H LYS 39 H LYS 39 13.586 9.034 -4.834 276 HA LYS 39 HA LYS 39 14.336 10.840 -7.037 277 HB2 LYS 39 1HB LYS 39 16.087 11.791 -5.600 278 HB3 LYS 39 2HB LYS 39 14.484 12.055 -4.927 279 HG2 LYS 39 1HG LYS 39 14.832 10.174 -3.392 280 HG3 LYS 39 2HG LYS 39 16.454 9.952 -4.051 281 HD2 LYS 39 1HD LYS 39 17.258 11.879 -3.079 282 HD3 LYS 39 2HD LYS 39 15.664 12.633 -3.007 283 HE2 LYS 39 1HE LYS 39 16.329 12.070 -0.777 284 HE3 LYS 39 2HE LYS 39 15.033 10.976 -1.258 285 HZ1 LYS 39 3HZ LYS 39 17.678 9.996 -1.849 286 HZ2 LYS 39 1HZ LYS 39 16.372 9.212 -1.112 287 HZ3 LYS 39 2HZ LYS 39 17.386 10.209 -0.196 288 H LEU 40 H LEU 40 16.864 10.719 -7.305 289 HA LEU 40 HA LEU 40 18.190 8.303 -6.700 290 HB2 LEU 40 1HB LEU 40 18.216 7.268 -8.903 291 HB3 LEU 40 2HB LEU 40 16.583 7.341 -8.245 292 HG LEU 40 HG LEU 40 16.432 9.518 -9.708 293 HD11 LEU 40 1HD1 LEU 40 18.986 8.930 -10.299 294 HD12 LEU 40 2HD1 LEU 40 17.906 9.796 -11.390 295 HD13 LEU 40 3HD1 LEU 40 18.165 8.064 -11.597 296 HD21 LEU 40 3HD2 LEU 40 15.553 8.162 -11.549 297 HD22 LEU 40 1HD2 LEU 40 15.033 7.546 -9.980 298 HD23 LEU 40 2HD2 LEU 40 16.326 6.732 -10.862 299 H SER 41 H SER 41 20.283 8.123 -7.806 300 HA SER 41 HA SER 41 21.347 10.777 -8.364 301 HB2 SER 41 1HB SER 41 22.541 9.386 -6.744 302 HB3 SER 41 2HB SER 41 22.754 8.126 -7.959 303 HG SER 41 HG SER 41 23.734 10.769 -8.251 304 H GLY 42 H GLY 42 22.550 11.294 -10.217 305 HA2 GLY 42 1HA GLY 42 23.013 9.483 -12.348 306 HA3 GLY 42 2HA GLY 42 21.545 10.401 -12.651 307 HA PRO 43 HA PRO 43 23.767 13.915 -14.043 308 HB2 PRO 43 1HB PRO 43 22.846 16.015 -12.591 309 HB3 PRO 43 2HB PRO 43 21.875 15.199 -13.823 310 HG2 PRO 43 1HG PRO 43 21.835 14.862 -10.848 311 HG3 PRO 43 2HG PRO 43 20.474 14.965 -11.981 312 HD2 PRO 43 1HD PRO 43 21.368 12.610 -10.987 313 HD3 PRO 43 2HD PRO 43 20.671 12.757 -12.614 314 H SER 44 H SER 44 23.618 14.044 -10.483 315 HA SER 44 HA SER 44 26.424 14.944 -10.484 316 HB2 SER 44 1HB SER 44 25.973 15.983 -8.308 317 HB3 SER 44 2HB SER 44 24.862 16.598 -9.532 318 HG SER 44 HG SER 44 23.229 15.590 -8.587 319 H SER 45 H SER 45 27.411 12.949 -10.436 320 HA SER 45 HA SER 45 27.176 11.512 -7.898 321 HB2 SER 45 1HB SER 45 27.006 9.360 -8.925 322 HB3 SER 45 2HB SER 45 25.765 10.370 -9.667 323 HG SER 45 HG SER 45 28.029 9.246 -10.772 324 H GLY 46 H GLY 46 28.988 9.808 -7.753 325 HA2 GLY 46 1HA GLY 46 31.373 10.473 -9.278 326 HA3 GLY 46 2HA GLY 46 31.429 10.881 -7.569 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 8.264 -25.609 6.342 2 HA2 GLY 1 1HA GLY 1 7.883 -23.888 8.620 3 HA3 GLY 1 2HA GLY 1 9.435 -23.652 7.828 4 H SER 2 H SER 2 6.022 -24.054 6.866 5 HA SER 2 HA SER 2 6.444 -21.987 4.822 6 HB2 SER 2 1HB SER 2 4.500 -22.868 3.698 7 HB3 SER 2 2HB SER 2 5.552 -24.222 4.111 8 HG SER 2 HG SER 2 4.089 -24.958 5.449 9 H SER 3 H SER 3 5.954 -20.013 5.515 10 HA SER 3 HA SER 3 3.667 -19.672 7.331 11 HB2 SER 3 1HB SER 3 5.627 -18.745 8.313 12 HB3 SER 3 2HB SER 3 6.100 -17.964 6.805 13 HG SER 3 HG SER 3 5.064 -16.304 7.553 14 H GLY 4 H GLY 4 2.152 -19.848 5.573 15 HA2 GLY 4 1HA GLY 4 2.183 -17.600 3.677 16 HA3 GLY 4 2HA GLY 4 1.245 -19.076 3.497 17 H SER 5 H SER 5 1.175 -15.849 4.433 18 HA SER 5 HA SER 5 -0.724 -15.743 6.449 19 HB2 SER 5 1HB SER 5 -1.277 -13.486 5.576 20 HB3 SER 5 2HB SER 5 0.463 -13.755 5.684 21 HG SER 5 HG SER 5 -1.184 -13.628 3.409 22 H SER 6 H SER 6 -2.853 -16.099 6.578 23 HA SER 6 HA SER 6 -4.303 -16.659 4.073 24 HB2 SER 6 1HB SER 6 -4.022 -18.693 5.380 25 HB3 SER 6 2HB SER 6 -4.680 -17.899 6.810 26 HG SER 6 HG SER 6 -6.670 -17.825 5.847 27 H GLY 7 H GLY 7 -6.536 -16.082 3.989 28 HA2 GLY 7 1HA GLY 7 -8.457 -14.934 4.687 29 HA3 GLY 7 2HA GLY 7 -7.578 -14.368 6.100 30 H SER 8 H SER 8 -6.765 -14.102 2.655 31 HA SER 8 HA SER 8 -7.031 -11.183 2.884 32 HB2 SER 8 1HB SER 8 -4.933 -10.813 1.791 33 HB3 SER 8 2HB SER 8 -4.629 -11.947 3.107 34 HG SER 8 HG SER 8 -3.954 -13.312 1.675 35 H GLY 9 H GLY 9 -8.529 -10.572 1.475 36 HA2 GLY 9 1HA GLY 9 -9.076 -12.168 -0.889 37 HA3 GLY 9 2HA GLY 9 -9.995 -10.778 -0.331 38 H GLU 10 H GLU 10 -8.228 -11.819 -2.822 39 HA GLU 10 HA GLU 10 -6.383 -9.801 -3.383 40 HB2 GLU 10 1HB GLU 10 -6.480 -10.539 -5.678 41 HB3 GLU 10 2HB GLU 10 -6.573 -11.943 -4.625 42 HG2 GLU 10 1HG GLU 10 -8.964 -12.079 -4.964 43 HG3 GLU 10 2HG GLU 10 -8.928 -10.619 -5.951 44 H LYS 11 H LYS 11 -6.504 -7.821 -4.330 45 HA LYS 11 HA LYS 11 -9.160 -6.621 -4.478 46 HB2 LYS 11 1HB LYS 11 -6.369 -5.523 -4.320 47 HB3 LYS 11 2HB LYS 11 -7.706 -4.497 -4.824 48 HG2 LYS 11 1HG LYS 11 -7.446 -4.129 -2.520 49 HG3 LYS 11 2HG LYS 11 -8.861 -5.173 -2.678 50 HD2 LYS 11 1HD LYS 11 -7.802 -6.977 -1.757 51 HD3 LYS 11 2HD LYS 11 -6.209 -6.467 -2.321 52 HE2 LYS 11 1HE LYS 11 -6.212 -6.228 0.040 53 HE3 LYS 11 2HE LYS 11 -6.326 -4.605 -0.637 54 HZ1 LYS 11 3HZ LYS 11 -8.079 -5.873 1.145 55 HZ2 LYS 11 1HZ LYS 11 -8.920 -5.573 -0.292 56 HZ3 LYS 11 2HZ LYS 11 -8.165 -4.301 0.528 57 HA PRO 12 HA PRO 12 -9.377 -6.405 -8.856 58 HB2 PRO 12 1HB PRO 12 -10.546 -3.985 -9.239 59 HB3 PRO 12 2HB PRO 12 -11.418 -5.383 -8.599 60 HG2 PRO 12 1HG PRO 12 -10.220 -3.064 -7.133 61 HG3 PRO 12 2HG PRO 12 -11.787 -3.855 -6.885 62 HD2 PRO 12 1HD PRO 12 -9.639 -4.356 -5.316 63 HD3 PRO 12 2HD PRO 12 -10.864 -5.588 -5.679 64 H TYR 13 H TYR 13 -8.277 -3.323 -7.435 65 HA TYR 13 HA TYR 13 -6.623 -2.828 -9.789 66 HB2 TYR 13 1HB TYR 13 -6.896 -1.024 -7.391 67 HB3 TYR 13 2HB TYR 13 -6.408 -0.595 -9.026 68 HD1 TYR 13 HD1 TYR 13 -8.139 -0.674 -10.866 69 HD2 TYR 13 HD2 TYR 13 -9.162 -0.958 -6.746 70 HE1 TYR 13 HE1 TYR 13 -10.462 -0.075 -11.408 71 HE2 TYR 13 HE2 TYR 13 -11.488 -0.361 -7.277 72 HH TYR 13 HH TYR 13 -12.753 -0.443 -10.347 73 H LYS 14 H LYS 14 -4.383 -2.408 -9.650 74 HA LYS 14 HA LYS 14 -3.021 -3.070 -7.159 75 HB2 LYS 14 1HB LYS 14 -2.439 -4.535 -9.739 76 HB3 LYS 14 2HB LYS 14 -1.581 -4.735 -8.217 77 HG2 LYS 14 1HG LYS 14 -2.973 -6.518 -8.084 78 HG3 LYS 14 2HG LYS 14 -4.017 -5.301 -7.345 79 HD2 LYS 14 1HD LYS 14 -5.261 -5.023 -9.338 80 HD3 LYS 14 2HD LYS 14 -4.069 -5.909 -10.292 81 HE2 LYS 14 1HE LYS 14 -5.402 -7.298 -8.020 82 HE3 LYS 14 2HE LYS 14 -6.317 -7.040 -9.504 83 HZ1 LYS 14 3HZ LYS 14 -4.685 -9.125 -9.060 84 HZ2 LYS 14 1HZ LYS 14 -3.656 -8.083 -9.908 85 HZ3 LYS 14 2HZ LYS 14 -5.124 -8.566 -10.595 86 H CYS 15 H CYS 15 -1.103 -2.030 -6.909 87 HA CYS 15 HA CYS 15 -0.527 0.188 -8.539 88 HB2 CYS 15 1HB CYS 15 0.072 -0.078 -6.105 89 HB3 CYS 15 2HB CYS 15 1.375 -1.150 -6.609 90 H VAL 16 H VAL 16 1.478 0.617 -9.706 91 HA VAL 16 HA VAL 16 2.339 -1.755 -11.214 92 HB VAL 16 HB VAL 16 1.304 0.077 -12.520 93 HG11 VAL 16 1HG1 VAL 16 1.793 2.190 -12.046 94 HG12 VAL 16 2HG1 VAL 16 3.072 1.678 -10.943 95 HG13 VAL 16 3HG1 VAL 16 3.426 1.924 -12.654 96 HG21 VAL 16 3HG2 VAL 16 4.234 -0.249 -13.152 97 HG22 VAL 16 1HG2 VAL 16 3.005 -1.471 -13.479 98 HG23 VAL 16 2HG2 VAL 16 2.927 0.095 -14.285 99 H GLU 17 H GLU 17 3.414 0.641 -9.016 100 HA GLU 17 HA GLU 17 6.205 0.475 -9.706 101 HB2 GLU 17 1HB GLU 17 4.827 1.641 -7.280 102 HB3 GLU 17 2HB GLU 17 6.541 1.801 -7.636 103 HG2 GLU 17 1HG GLU 17 4.276 2.860 -9.312 104 HG3 GLU 17 2HG GLU 17 5.324 3.805 -8.257 105 H CYS 18 H CYS 18 4.163 -0.725 -7.056 106 HA CYS 18 HA CYS 18 6.337 -2.567 -6.312 107 HB2 CYS 18 1HB CYS 18 5.051 -2.753 -4.126 108 HB3 CYS 18 2HB CYS 18 5.830 -1.205 -4.438 109 H GLY 19 H GLY 19 2.848 -2.321 -6.859 110 HA2 GLY 19 1HA GLY 19 1.746 -4.064 -8.130 111 HA3 GLY 19 2HA GLY 19 2.830 -5.224 -7.378 112 H LYS 20 H LYS 20 1.586 -2.799 -5.311 113 HA LYS 20 HA LYS 20 0.371 -4.617 -3.565 114 HB2 LYS 20 1HB LYS 20 0.157 -1.631 -3.875 115 HB3 LYS 20 2HB LYS 20 -0.753 -2.493 -2.641 116 HG2 LYS 20 1HG LYS 20 2.235 -2.674 -2.907 117 HG3 LYS 20 2HG LYS 20 1.418 -1.485 -1.891 118 HD2 LYS 20 1HD LYS 20 1.626 -3.074 -0.305 119 HD3 LYS 20 2HD LYS 20 0.194 -3.757 -1.080 120 HE2 LYS 20 1HE LYS 20 2.078 -4.863 -2.618 121 HE3 LYS 20 2HE LYS 20 3.014 -4.667 -1.137 122 HZ1 LYS 20 3HZ LYS 20 0.350 -5.825 -0.875 123 HZ2 LYS 20 1HZ LYS 20 1.777 -6.191 -0.043 124 HZ3 LYS 20 2HZ LYS 20 1.532 -6.791 -1.605 125 H GLY 21 H GLY 21 -2.070 -3.900 -2.834 126 HA2 GLY 21 1HA GLY 21 -3.774 -3.890 -5.225 127 HA3 GLY 21 2HA GLY 21 -3.926 -5.226 -4.093 128 H TYR 22 H TYR 22 -5.499 -2.628 -5.000 129 HA TYR 22 HA TYR 22 -6.417 -1.996 -2.273 130 HB2 TYR 22 1HB TYR 22 -6.081 -0.127 -4.622 131 HB3 TYR 22 2HB TYR 22 -6.999 0.289 -3.180 132 HD1 TYR 22 HD2 TYR 22 -3.630 -0.486 -4.469 133 HD2 TYR 22 HD1 TYR 22 -5.901 0.922 -1.158 134 HE1 TYR 22 HE2 TYR 22 -1.560 0.273 -3.379 135 HE2 TYR 22 HE1 TYR 22 -3.838 1.686 -0.059 136 HH TYR 22 HH TYR 22 -0.663 1.021 -1.449 137 H LYS 23 H LYS 23 -8.599 -1.899 -1.937 138 HA LYS 23 HA LYS 23 -10.274 -3.311 -3.734 139 HB2 LYS 23 1HB LYS 23 -10.434 -3.017 -1.146 140 HB3 LYS 23 2HB LYS 23 -11.347 -1.567 -1.542 141 HG2 LYS 23 1HG LYS 23 -13.004 -2.850 -2.700 142 HG3 LYS 23 2HG LYS 23 -12.044 -4.322 -2.535 143 HD2 LYS 23 1HD LYS 23 -13.523 -4.600 -0.806 144 HD3 LYS 23 2HD LYS 23 -12.220 -3.751 0.030 145 HE2 LYS 23 1HE LYS 23 -13.391 -1.742 0.071 146 HE3 LYS 23 2HE LYS 23 -14.465 -2.228 -1.239 147 HZ1 LYS 23 3HZ LYS 23 -15.884 -2.610 0.437 148 HZ2 LYS 23 1HZ LYS 23 -14.666 -2.742 1.604 149 HZ3 LYS 23 2HZ LYS 23 -15.036 -4.063 0.615 150 H ARG 24 H ARG 24 -9.784 0.103 -3.054 151 HA ARG 24 HA ARG 24 -11.677 0.750 -5.219 152 HB2 ARG 24 1HB ARG 24 -12.528 1.716 -3.232 153 HB3 ARG 24 2HB ARG 24 -10.937 2.264 -2.724 154 HG2 ARG 24 1HG ARG 24 -10.903 3.962 -4.392 155 HG3 ARG 24 2HG ARG 24 -12.361 3.320 -5.152 156 HD2 ARG 24 1HD ARG 24 -13.106 5.160 -3.911 157 HD3 ARG 24 2HD ARG 24 -13.510 3.761 -2.916 158 HE ARG 24 HE ARG 24 -10.961 4.985 -2.323 159 HH11 ARG 24 1HH1 ARG 24 -14.369 4.886 -1.621 160 HH12 ARG 24 2HH1 ARG 24 -14.197 5.583 -0.044 161 HH21 ARG 24 1HH2 ARG 24 -10.721 5.904 -0.249 162 HH22 ARG 24 2HH2 ARG 24 -12.122 6.162 0.735 163 H ARG 25 H ARG 25 -10.982 1.944 -6.911 164 HA ARG 25 HA ARG 25 -8.279 2.085 -7.544 165 HB2 ARG 25 1HB ARG 25 -9.923 2.183 -9.287 166 HB3 ARG 25 2HB ARG 25 -10.629 3.648 -8.615 167 HG2 ARG 25 1HG ARG 25 -9.398 4.418 -10.419 168 HG3 ARG 25 2HG ARG 25 -8.326 4.705 -9.046 169 HD2 ARG 25 1HD ARG 25 -7.208 2.538 -9.554 170 HD3 ARG 25 2HD ARG 25 -8.202 2.417 -11.005 171 HE ARG 25 HE ARG 25 -6.866 3.983 -12.018 172 HH11 ARG 25 1HH1 ARG 25 -6.218 3.943 -8.598 173 HH12 ARG 25 2HH1 ARG 25 -4.830 4.973 -8.716 174 HH21 ARG 25 1HH2 ARG 25 -5.041 5.340 -12.187 175 HH22 ARG 25 2HH2 ARG 25 -4.162 5.768 -10.758 176 H LEU 26 H LEU 26 -10.420 4.600 -6.249 177 HA LEU 26 HA LEU 26 -8.704 6.763 -6.307 178 HB2 LEU 26 1HB LEU 26 -11.153 6.627 -5.576 179 HB3 LEU 26 2HB LEU 26 -10.524 6.215 -3.982 180 HG LEU 26 HG LEU 26 -11.119 8.575 -4.126 181 HD11 LEU 26 1HD1 LEU 26 -8.147 8.612 -4.080 182 HD12 LEU 26 2HD1 LEU 26 -8.996 7.598 -2.914 183 HD13 LEU 26 3HD1 LEU 26 -9.306 9.333 -2.964 184 HD21 LEU 26 3HD2 LEU 26 -8.954 9.469 -5.797 185 HD22 LEU 26 1HD2 LEU 26 -10.676 9.836 -5.900 186 HD23 LEU 26 2HD2 LEU 26 -10.032 8.399 -6.695 187 H ASP 27 H ASP 27 -9.003 4.259 -3.813 188 HA ASP 27 HA ASP 27 -7.208 5.290 -1.955 189 HB2 ASP 27 1HB ASP 27 -8.157 2.534 -2.626 190 HB3 ASP 27 2HB ASP 27 -6.817 2.721 -1.497 191 H LEU 28 H LEU 28 -6.569 2.989 -4.599 192 HA LEU 28 HA LEU 28 -3.798 2.795 -4.170 193 HB2 LEU 28 1HB LEU 28 -4.774 1.124 -5.486 194 HB3 LEU 28 2HB LEU 28 -5.564 2.295 -6.540 195 HG LEU 28 HG LEU 28 -3.025 2.886 -7.108 196 HD11 LEU 28 1HD1 LEU 28 -2.342 1.055 -5.443 197 HD12 LEU 28 2HD1 LEU 28 -1.556 1.083 -7.021 198 HD13 LEU 28 3HD1 LEU 28 -2.845 -0.077 -6.698 199 HD21 LEU 28 3HD2 LEU 28 -3.258 1.103 -8.954 200 HD22 LEU 28 1HD2 LEU 28 -4.467 2.384 -8.862 201 HD23 LEU 28 2HD2 LEU 28 -4.834 0.778 -8.231 202 H ASP 29 H ASP 29 -5.665 4.826 -6.413 203 HA ASP 29 HA ASP 29 -3.636 6.097 -7.753 204 HB2 ASP 29 1HB ASP 29 -6.209 6.365 -7.956 205 HB3 ASP 29 2HB ASP 29 -6.012 7.656 -6.773 206 H PHE 30 H PHE 30 -4.719 6.614 -4.469 207 HA PHE 30 HA PHE 30 -3.114 8.994 -4.121 208 HB2 PHE 30 1HB PHE 30 -5.369 8.288 -2.930 209 HB3 PHE 30 2HB PHE 30 -4.268 7.492 -1.810 210 HD1 PHE 30 HD2 PHE 30 -4.957 10.779 -3.401 211 HD2 PHE 30 HD1 PHE 30 -3.297 8.693 -0.083 212 HE1 PHE 30 HE2 PHE 30 -4.607 12.918 -2.235 213 HE2 PHE 30 HE1 PHE 30 -2.945 10.828 1.088 214 HZ PHE 30 HZ PHE 30 -3.599 12.944 0.012 215 H HIS 31 H HIS 31 -2.725 5.602 -3.790 216 HA HIS 31 HA HIS 31 -0.647 5.622 -1.839 217 HB2 HIS 31 1HB HIS 31 -1.614 3.536 -1.976 218 HB3 HIS 31 2HB HIS 31 -1.788 3.612 -3.727 219 HD1 HIS 31 HD1 HIS 31 0.831 2.975 -1.078 220 HD2 HIS 31 HD2 HIS 31 0.224 2.407 -5.149 221 HE1 HIS 31 HE1 HIS 31 2.747 1.540 -1.850 222 H GLN 32 H GLN 32 -0.659 5.347 -5.386 223 HA GLN 32 HA GLN 32 1.984 5.017 -5.931 224 HB2 GLN 32 1HB GLN 32 -0.060 6.730 -7.334 225 HB3 GLN 32 2HB GLN 32 1.559 6.487 -7.975 226 HG2 GLN 32 1HG GLN 32 1.198 4.215 -8.354 227 HG3 GLN 32 2HG GLN 32 -0.208 4.170 -7.293 228 HE21 GLN 32 1HE2 GLN 32 -1.721 3.458 -8.683 229 HE22 GLN 32 2HE2 GLN 32 -2.208 4.297 -10.113 230 H ARG 33 H ARG 33 0.471 7.824 -4.579 231 HA ARG 33 HA ARG 33 2.191 9.870 -5.170 232 HB2 ARG 33 1HB ARG 33 1.020 9.318 -2.437 233 HB3 ARG 33 2HB ARG 33 1.567 10.876 -3.042 234 HG2 ARG 33 1HG ARG 33 -0.530 9.448 -4.581 235 HG3 ARG 33 2HG ARG 33 -0.980 10.191 -3.045 236 HD2 ARG 33 1HD ARG 33 0.479 11.656 -5.233 237 HD3 ARG 33 2HD ARG 33 -1.277 11.636 -5.086 238 HE ARG 33 HE ARG 33 0.144 12.489 -2.717 239 HH11 ARG 33 1HH1 ARG 33 -1.407 13.446 -5.683 240 HH12 ARG 33 2HH1 ARG 33 -1.687 15.075 -5.164 241 HH21 ARG 33 1HH2 ARG 33 -0.219 14.630 -2.021 242 HH22 ARG 33 2HH2 ARG 33 -1.010 15.748 -3.081 243 H VAL 34 H VAL 34 2.663 7.259 -2.849 244 HA VAL 34 HA VAL 34 4.977 8.238 -1.600 245 HB VAL 34 HB VAL 34 5.417 5.934 -0.920 246 HG11 VAL 34 1HG1 VAL 34 2.491 6.662 -0.837 247 HG12 VAL 34 2HG1 VAL 34 3.279 5.478 0.208 248 HG13 VAL 34 3HG1 VAL 34 3.733 7.180 0.303 249 HG21 VAL 34 3HG2 VAL 34 5.026 4.489 -2.640 250 HG22 VAL 34 1HG2 VAL 34 3.511 4.289 -1.759 251 HG23 VAL 34 2HG2 VAL 34 3.576 5.340 -3.173 252 H HIS 35 H HIS 35 4.543 6.281 -4.512 253 HA HIS 35 HA HIS 35 7.323 5.842 -4.951 254 HB2 HIS 35 1HB HIS 35 4.954 5.642 -6.820 255 HB3 HIS 35 2HB HIS 35 6.587 5.128 -7.232 256 HD1 HIS 35 HD1 HIS 35 7.570 3.236 -5.458 257 HD2 HIS 35 HD2 HIS 35 3.449 3.658 -5.773 258 HE1 HIS 35 HE1 HIS 35 6.604 1.109 -4.528 259 H THR 36 H THR 36 5.014 8.277 -5.986 260 HA THR 36 HA THR 36 6.716 9.499 -7.918 261 HB THR 36 HB THR 36 5.118 11.339 -7.927 262 HG1 THR 36 HG1 THR 36 3.281 11.112 -6.421 263 HG21 THR 36 3HG2 THR 36 2.973 9.611 -7.898 264 HG22 THR 36 1HG2 THR 36 4.342 8.540 -8.196 265 HG23 THR 36 2HG2 THR 36 4.039 9.905 -9.271 266 H GLY 37 H GLY 37 5.978 10.148 -4.514 267 HA2 GLY 37 1HA GLY 37 7.737 12.450 -4.451 268 HA3 GLY 37 2HA GLY 37 6.842 11.780 -3.095 269 H GLU 38 H GLU 38 9.349 10.533 -5.306 270 HA GLU 38 HA GLU 38 10.749 9.450 -2.966 271 HB2 GLU 38 1HB GLU 38 10.190 7.852 -4.744 272 HB3 GLU 38 2HB GLU 38 11.092 8.820 -5.903 273 HG2 GLU 38 1HG GLU 38 12.556 7.110 -5.366 274 HG3 GLU 38 2HG GLU 38 13.100 8.448 -4.355 275 H LYS 39 H LYS 39 12.731 10.125 -2.379 276 HA LYS 39 HA LYS 39 13.725 12.593 -3.033 277 HB2 LYS 39 1HB LYS 39 15.794 11.939 -1.975 278 HB3 LYS 39 2HB LYS 39 14.451 11.219 -1.096 279 HG2 LYS 39 1HG LYS 39 14.858 9.101 -2.330 280 HG3 LYS 39 2HG LYS 39 16.293 9.845 -3.040 281 HD2 LYS 39 1HD LYS 39 15.862 9.665 -0.067 282 HD3 LYS 39 2HD LYS 39 16.661 8.390 -0.990 283 HE2 LYS 39 1HE LYS 39 18.234 10.177 -1.843 284 HE3 LYS 39 2HE LYS 39 17.535 11.248 -0.629 285 HZ1 LYS 39 3HZ LYS 39 19.611 10.097 0.068 286 HZ2 LYS 39 1HZ LYS 39 18.771 8.629 0.014 287 HZ3 LYS 39 2HZ LYS 39 18.297 9.835 1.101 288 H LEU 40 H LEU 40 15.495 13.327 -4.299 289 HA LEU 40 HA LEU 40 16.284 13.589 -6.463 290 HB2 LEU 40 1HB LEU 40 17.572 11.120 -5.341 291 HB3 LEU 40 2HB LEU 40 18.064 11.805 -6.888 292 HG LEU 40 HG LEU 40 19.537 12.440 -5.001 293 HD11 LEU 40 1HD1 LEU 40 18.437 14.076 -7.012 294 HD12 LEU 40 2HD1 LEU 40 19.999 14.237 -6.210 295 HD13 LEU 40 3HD1 LEU 40 18.586 15.072 -5.564 296 HD21 LEU 40 3HD2 LEU 40 17.671 12.537 -3.320 297 HD22 LEU 40 1HD2 LEU 40 17.213 14.087 -4.026 298 HD23 LEU 40 2HD2 LEU 40 18.797 13.895 -3.275 299 H SER 41 H SER 41 13.785 12.649 -6.798 300 HA SER 41 HA SER 41 13.196 10.282 -7.945 301 HB2 SER 41 1HB SER 41 11.621 11.544 -9.470 302 HB3 SER 41 2HB SER 41 11.485 11.946 -7.759 303 HG SER 41 HG SER 41 11.581 13.752 -9.322 304 H GLY 42 H GLY 42 14.864 12.964 -9.553 305 HA2 GLY 42 1HA GLY 42 16.461 11.347 -11.170 306 HA3 GLY 42 2HA GLY 42 15.028 11.754 -12.103 307 HA PRO 43 HA PRO 43 16.572 15.724 -13.139 308 HB2 PRO 43 1HB PRO 43 14.608 17.480 -12.482 309 HB3 PRO 43 2HB PRO 43 14.473 16.350 -13.835 310 HG2 PRO 43 1HG PRO 43 13.349 16.135 -11.069 311 HG3 PRO 43 2HG PRO 43 12.580 15.757 -12.621 312 HD2 PRO 43 1HD PRO 43 13.618 13.847 -11.006 313 HD3 PRO 43 2HD PRO 43 13.613 13.702 -12.775 314 H SER 44 H SER 44 18.283 15.697 -11.544 315 HA SER 44 HA SER 44 18.245 16.448 -8.936 316 HB2 SER 44 1HB SER 44 20.286 15.804 -10.203 317 HB3 SER 44 2HB SER 44 20.298 17.403 -10.947 318 HG SER 44 HG SER 44 20.174 17.313 -8.172 319 H SER 45 H SER 45 18.376 18.671 -11.708 320 HA SER 45 HA SER 45 18.331 21.035 -10.143 321 HB2 SER 45 1HB SER 45 19.079 20.805 -12.571 322 HB3 SER 45 2HB SER 45 17.367 20.809 -12.996 323 HG SER 45 HG SER 45 18.813 22.856 -11.668 324 H GLY 46 H GLY 46 16.620 20.608 -8.640 325 HA2 GLY 46 1HA GLY 46 13.918 20.835 -9.807 326 HA3 GLY 46 2HA GLY 46 14.272 20.097 -8.251 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 9.318 -15.150 3.128 2 HA2 GLY 1 1HA GLY 1 10.484 -12.649 2.331 3 HA3 GLY 1 2HA GLY 1 8.873 -12.883 1.668 4 H SER 2 H SER 2 7.530 -14.096 3.693 5 HA SER 2 HA SER 2 7.863 -12.364 6.036 6 HB2 SER 2 1HB SER 2 5.579 -11.691 6.056 7 HB3 SER 2 2HB SER 2 6.148 -11.420 4.408 8 HG SER 2 HG SER 2 5.035 -13.176 3.724 9 H SER 3 H SER 3 7.294 -13.276 7.968 10 HA SER 3 HA SER 3 7.364 -16.034 8.248 11 HB2 SER 3 1HB SER 3 7.831 -14.381 10.062 12 HB3 SER 3 2HB SER 3 6.097 -14.088 10.190 13 HG SER 3 HG SER 3 7.058 -15.694 11.672 14 H GLY 4 H GLY 4 4.558 -13.860 8.207 15 HA2 GLY 4 1HA GLY 4 2.695 -16.047 8.516 16 HA3 GLY 4 2HA GLY 4 2.291 -14.358 8.249 17 H SER 5 H SER 5 1.419 -13.879 6.351 18 HA SER 5 HA SER 5 2.322 -15.005 3.893 19 HB2 SER 5 1HB SER 5 0.450 -16.324 3.271 20 HB3 SER 5 2HB SER 5 0.863 -16.843 4.906 21 HG SER 5 HG SER 5 -0.790 -14.993 5.376 22 H SER 6 H SER 6 1.491 -13.933 2.085 23 HA SER 6 HA SER 6 -0.281 -11.655 2.684 24 HB2 SER 6 1HB SER 6 2.034 -11.654 0.732 25 HB3 SER 6 2HB SER 6 0.994 -10.285 1.128 26 HG SER 6 HG SER 6 3.200 -10.737 2.260 27 H GLY 7 H GLY 7 -2.061 -12.941 1.968 28 HA2 GLY 7 1HA GLY 7 -2.135 -13.266 -0.969 29 HA3 GLY 7 2HA GLY 7 -2.909 -14.398 0.129 30 H SER 8 H SER 8 -2.999 -11.115 -1.133 31 HA SER 8 HA SER 8 -5.375 -10.315 0.173 32 HB2 SER 8 1HB SER 8 -5.367 -8.430 -1.285 33 HB3 SER 8 2HB SER 8 -3.674 -8.811 -0.973 34 HG SER 8 HG SER 8 -4.131 -10.198 -3.038 35 H GLY 9 H GLY 9 -7.481 -9.976 -0.781 36 HA2 GLY 9 1HA GLY 9 -8.392 -12.298 -2.190 37 HA3 GLY 9 2HA GLY 9 -9.375 -10.929 -1.692 38 H GLU 10 H GLU 10 -6.774 -11.650 -4.025 39 HA GLU 10 HA GLU 10 -6.370 -10.672 -6.083 40 HB2 GLU 10 1HB GLU 10 -8.112 -11.329 -7.708 41 HB3 GLU 10 2HB GLU 10 -7.689 -12.636 -6.611 42 HG2 GLU 10 1HG GLU 10 -9.691 -12.175 -5.289 43 HG3 GLU 10 2HG GLU 10 -10.117 -10.871 -6.395 44 H LYS 11 H LYS 11 -6.801 -8.575 -4.527 45 HA LYS 11 HA LYS 11 -8.863 -6.875 -4.688 46 HB2 LYS 11 1HB LYS 11 -5.942 -6.232 -5.086 47 HB3 LYS 11 2HB LYS 11 -7.174 -4.994 -4.882 48 HG2 LYS 11 1HG LYS 11 -6.806 -7.184 -2.869 49 HG3 LYS 11 2HG LYS 11 -5.839 -5.708 -2.827 50 HD2 LYS 11 1HD LYS 11 -8.033 -4.437 -2.857 51 HD3 LYS 11 2HD LYS 11 -8.824 -5.985 -2.551 52 HE2 LYS 11 1HE LYS 11 -7.609 -6.248 -0.487 53 HE3 LYS 11 2HE LYS 11 -6.661 -4.798 -0.816 54 HZ1 LYS 11 3HZ LYS 11 -8.769 -3.529 -0.749 55 HZ2 LYS 11 1HZ LYS 11 -8.376 -4.255 0.728 56 HZ3 LYS 11 2HZ LYS 11 -9.572 -4.934 -0.256 57 HA PRO 12 HA PRO 12 -9.821 -5.923 -8.868 58 HB2 PRO 12 1HB PRO 12 -10.791 -3.403 -8.595 59 HB3 PRO 12 2HB PRO 12 -11.676 -4.836 -8.060 60 HG2 PRO 12 1HG PRO 12 -10.020 -2.925 -6.458 61 HG3 PRO 12 2HG PRO 12 -11.593 -3.643 -6.065 62 HD2 PRO 12 1HD PRO 12 -9.269 -4.576 -5.037 63 HD3 PRO 12 2HD PRO 12 -10.655 -5.632 -5.377 64 H TYR 13 H TYR 13 -8.063 -3.383 -7.107 65 HA TYR 13 HA TYR 13 -6.642 -2.745 -9.609 66 HB2 TYR 13 1HB TYR 13 -6.947 -0.878 -7.259 67 HB3 TYR 13 2HB TYR 13 -6.415 -0.488 -8.891 68 HD1 TYR 13 HD1 TYR 13 -8.047 -0.373 -10.734 69 HD2 TYR 13 HD2 TYR 13 -9.279 -1.033 -6.716 70 HE1 TYR 13 HE1 TYR 13 -10.354 0.214 -11.352 71 HE2 TYR 13 HE2 TYR 13 -11.590 -0.450 -7.322 72 HH TYR 13 HH TYR 13 -12.405 1.070 -10.207 73 H LYS 14 H LYS 14 -4.420 -2.524 -9.563 74 HA LYS 14 HA LYS 14 -3.045 -3.061 -7.031 75 HB2 LYS 14 1HB LYS 14 -2.581 -4.570 -9.610 76 HB3 LYS 14 2HB LYS 14 -1.548 -4.676 -8.190 77 HG2 LYS 14 1HG LYS 14 -2.841 -6.500 -7.826 78 HG3 LYS 14 2HG LYS 14 -3.849 -5.291 -7.027 79 HD2 LYS 14 1HD LYS 14 -5.436 -5.332 -8.667 80 HD3 LYS 14 2HD LYS 14 -4.274 -5.736 -9.932 81 HE2 LYS 14 1HE LYS 14 -5.876 -7.567 -9.402 82 HE3 LYS 14 2HE LYS 14 -4.182 -8.017 -9.208 83 HZ1 LYS 14 3HZ LYS 14 -4.359 -8.011 -6.915 84 HZ2 LYS 14 1HZ LYS 14 -5.844 -8.668 -7.388 85 HZ3 LYS 14 2HZ LYS 14 -5.751 -7.050 -6.905 86 H CYS 15 H CYS 15 -1.019 -2.150 -6.844 87 HA CYS 15 HA CYS 15 -0.485 0.118 -8.457 88 HB2 CYS 15 1HB CYS 15 0.133 -0.142 -6.032 89 HB3 CYS 15 2HB CYS 15 1.416 -1.236 -6.537 90 H VAL 16 H VAL 16 1.448 0.536 -9.700 91 HA VAL 16 HA VAL 16 2.314 -1.848 -11.181 92 HB VAL 16 HB VAL 16 1.259 -0.091 -12.528 93 HG11 VAL 16 1HG1 VAL 16 2.275 2.082 -12.807 94 HG12 VAL 16 2HG1 VAL 16 1.923 1.815 -11.099 95 HG13 VAL 16 3HG1 VAL 16 3.575 1.653 -11.696 96 HG21 VAL 16 3HG2 VAL 16 4.219 -0.301 -13.073 97 HG22 VAL 16 1HG2 VAL 16 3.018 -1.522 -13.496 98 HG23 VAL 16 2HG2 VAL 16 2.957 0.073 -14.247 99 H GLU 17 H GLU 17 3.412 0.588 -9.036 100 HA GLU 17 HA GLU 17 6.191 0.425 -9.771 101 HB2 GLU 17 1HB GLU 17 4.837 1.630 -7.352 102 HB3 GLU 17 2HB GLU 17 6.550 1.779 -7.715 103 HG2 GLU 17 1HG GLU 17 5.802 3.744 -8.569 104 HG3 GLU 17 2HG GLU 17 5.643 2.722 -9.996 105 H CYS 18 H CYS 18 4.267 -0.642 -6.969 106 HA CYS 18 HA CYS 18 6.449 -2.474 -6.247 107 HB2 CYS 18 1HB CYS 18 5.266 -2.633 -4.046 108 HB3 CYS 18 2HB CYS 18 5.846 -1.016 -4.432 109 H GLY 19 H GLY 19 2.960 -2.320 -6.819 110 HA2 GLY 19 1HA GLY 19 1.902 -4.112 -8.053 111 HA3 GLY 19 2HA GLY 19 3.011 -5.233 -7.276 112 H LYS 20 H LYS 20 1.581 -2.742 -5.360 113 HA LYS 20 HA LYS 20 0.426 -4.588 -3.560 114 HB2 LYS 20 1HB LYS 20 1.137 -1.991 -3.380 115 HB3 LYS 20 2HB LYS 20 -0.602 -1.810 -3.571 116 HG2 LYS 20 1HG LYS 20 -0.551 -1.972 -1.324 117 HG3 LYS 20 2HG LYS 20 -0.581 -3.700 -1.684 118 HD2 LYS 20 1HD LYS 20 1.978 -2.150 -1.355 119 HD3 LYS 20 2HD LYS 20 1.153 -2.926 -0.001 120 HE2 LYS 20 1HE LYS 20 2.559 -4.619 -0.582 121 HE3 LYS 20 2HE LYS 20 1.209 -5.003 -1.649 122 HZ1 LYS 20 3HZ LYS 20 3.644 -3.479 -2.403 123 HZ2 LYS 20 1HZ LYS 20 2.339 -3.804 -3.429 124 HZ3 LYS 20 2HZ LYS 20 3.291 -5.073 -2.846 125 H GLY 21 H GLY 21 -2.028 -3.843 -2.854 126 HA2 GLY 21 1HA GLY 21 -3.720 -3.823 -5.245 127 HA3 GLY 21 2HA GLY 21 -3.857 -5.199 -4.160 128 H TYR 22 H TYR 22 -5.517 -2.662 -4.985 129 HA TYR 22 HA TYR 22 -6.444 -2.124 -2.244 130 HB2 TYR 22 1HB TYR 22 -5.976 -0.169 -4.485 131 HB3 TYR 22 2HB TYR 22 -7.085 0.192 -3.167 132 HD1 TYR 22 HD2 TYR 22 -3.552 -0.697 -3.897 133 HD2 TYR 22 HD1 TYR 22 -6.284 1.027 -1.127 134 HE1 TYR 22 HE2 TYR 22 -1.663 0.085 -2.529 135 HE2 TYR 22 HE1 TYR 22 -4.403 1.814 0.248 136 HH TYR 22 HH TYR 22 -1.759 2.384 -0.406 137 H LYS 23 H LYS 23 -8.646 -1.968 -1.946 138 HA LYS 23 HA LYS 23 -10.283 -3.341 -3.827 139 HB2 LYS 23 1HB LYS 23 -10.671 -3.503 -1.415 140 HB3 LYS 23 2HB LYS 23 -11.040 -1.785 -1.346 141 HG2 LYS 23 1HG LYS 23 -13.017 -2.103 -2.675 142 HG3 LYS 23 2HG LYS 23 -12.617 -3.803 -2.930 143 HD2 LYS 23 1HD LYS 23 -14.258 -3.761 -1.226 144 HD3 LYS 23 2HD LYS 23 -12.721 -4.068 -0.415 145 HE2 LYS 23 1HE LYS 23 -12.680 -2.012 0.581 146 HE3 LYS 23 2HE LYS 23 -13.602 -1.246 -0.712 147 HZ1 LYS 23 3HZ LYS 23 -14.699 -3.069 1.361 148 HZ2 LYS 23 1HZ LYS 23 -15.590 -2.365 0.107 149 HZ3 LYS 23 2HZ LYS 23 -14.903 -1.391 1.307 150 H ARG 24 H ARG 24 -9.807 0.037 -2.986 151 HA ARG 24 HA ARG 24 -11.697 0.782 -5.121 152 HB2 ARG 24 1HB ARG 24 -12.352 1.558 -2.863 153 HB3 ARG 24 2HB ARG 24 -10.830 2.430 -2.739 154 HG2 ARG 24 1HG ARG 24 -11.452 3.985 -4.368 155 HG3 ARG 24 2HG ARG 24 -12.763 2.965 -4.965 156 HD2 ARG 24 1HD ARG 24 -12.830 3.899 -2.136 157 HD3 ARG 24 2HD ARG 24 -13.249 5.034 -3.418 158 HE ARG 24 HE ARG 24 -14.801 2.788 -2.511 159 HH11 ARG 24 1HH1 ARG 24 -14.180 4.970 -5.152 160 HH12 ARG 24 2HH1 ARG 24 -15.743 4.755 -5.868 161 HH21 ARG 24 1HH2 ARG 24 -16.862 2.497 -3.444 162 HH22 ARG 24 2HH2 ARG 24 -17.268 3.349 -4.895 163 H ARG 25 H ARG 25 -10.879 1.733 -6.866 164 HA ARG 25 HA ARG 25 -8.189 2.007 -7.392 165 HB2 ARG 25 1HB ARG 25 -9.992 2.023 -9.099 166 HB3 ARG 25 2HB ARG 25 -10.412 3.658 -8.606 167 HG2 ARG 25 1HG ARG 25 -8.541 4.577 -9.562 168 HG3 ARG 25 2HG ARG 25 -7.616 3.078 -9.449 169 HD2 ARG 25 1HD ARG 25 -8.129 3.454 -11.752 170 HD3 ARG 25 2HD ARG 25 -9.118 2.107 -11.188 171 HE ARG 25 HE ARG 25 -10.749 4.227 -10.850 172 HH11 ARG 25 1HH1 ARG 25 -8.853 3.103 -13.545 173 HH12 ARG 25 2HH1 ARG 25 -9.939 3.734 -14.739 174 HH21 ARG 25 1HH2 ARG 25 -12.185 5.062 -12.413 175 HH22 ARG 25 2HH2 ARG 25 -11.833 4.849 -14.094 176 H LEU 26 H LEU 26 -10.456 4.541 -6.350 177 HA LEU 26 HA LEU 26 -8.841 6.745 -6.389 178 HB2 LEU 26 1HB LEU 26 -11.311 6.338 -5.549 179 HB3 LEU 26 2HB LEU 26 -10.525 6.322 -3.972 180 HG LEU 26 HG LEU 26 -11.430 8.517 -4.448 181 HD11 LEU 26 1HD1 LEU 26 -9.199 8.178 -3.261 182 HD12 LEU 26 2HD1 LEU 26 -9.554 9.793 -3.872 183 HD13 LEU 26 3HD1 LEU 26 -8.453 8.738 -4.758 184 HD21 LEU 26 3HD2 LEU 26 -9.653 9.395 -6.503 185 HD22 LEU 26 1HD2 LEU 26 -11.416 9.393 -6.485 186 HD23 LEU 26 2HD2 LEU 26 -10.539 7.979 -7.070 187 H ASP 27 H ASP 27 -9.042 4.311 -3.814 188 HA ASP 27 HA ASP 27 -7.290 5.477 -1.995 189 HB2 ASP 27 1HB ASP 27 -8.141 2.667 -2.561 190 HB3 ASP 27 2HB ASP 27 -6.804 2.939 -1.447 191 H LEU 28 H LEU 28 -6.515 2.943 -4.388 192 HA LEU 28 HA LEU 28 -3.763 2.921 -4.000 193 HB2 LEU 28 1HB LEU 28 -4.695 1.169 -5.251 194 HB3 LEU 28 2HB LEU 28 -5.482 2.277 -6.373 195 HG LEU 28 HG LEU 28 -2.951 2.892 -6.924 196 HD11 LEU 28 1HD1 LEU 28 -2.856 0.068 -5.887 197 HD12 LEU 28 2HD1 LEU 28 -1.894 1.447 -5.355 198 HD13 LEU 28 3HD1 LEU 28 -1.641 0.762 -6.961 199 HD21 LEU 28 3HD2 LEU 28 -3.181 0.779 -8.558 200 HD22 LEU 28 1HD2 LEU 28 -4.095 2.272 -8.773 201 HD23 LEU 28 2HD2 LEU 28 -4.845 0.886 -7.980 202 H ASP 29 H ASP 29 -5.670 4.796 -6.342 203 HA ASP 29 HA ASP 29 -3.730 6.064 -7.766 204 HB2 ASP 29 1HB ASP 29 -6.265 6.346 -7.923 205 HB3 ASP 29 2HB ASP 29 -6.098 7.576 -6.673 206 H PHE 30 H PHE 30 -4.709 6.744 -4.462 207 HA PHE 30 HA PHE 30 -3.042 9.087 -4.253 208 HB2 PHE 30 1HB PHE 30 -5.244 8.509 -2.955 209 HB3 PHE 30 2HB PHE 30 -4.157 7.640 -1.877 210 HD1 PHE 30 HD1 PHE 30 -2.164 8.964 -0.925 211 HD2 PHE 30 HD2 PHE 30 -5.598 10.777 -2.670 212 HE1 PHE 30 HE1 PHE 30 -1.648 11.064 0.248 213 HE2 PHE 30 HE2 PHE 30 -5.086 12.880 -1.500 214 HZ PHE 30 HZ PHE 30 -3.108 13.026 -0.040 215 H HIS 31 H HIS 31 -2.739 5.688 -3.684 216 HA HIS 31 HA HIS 31 -0.557 5.759 -1.878 217 HB2 HIS 31 1HB HIS 31 -1.603 3.693 -1.908 218 HB3 HIS 31 2HB HIS 31 -1.767 3.684 -3.661 219 HD1 HIS 31 HD1 HIS 31 0.914 3.266 -1.011 220 HD2 HIS 31 HD2 HIS 31 0.147 2.251 -4.966 221 HE1 HIS 31 HE1 HIS 31 2.788 1.732 -1.687 222 H GLN 32 H GLN 32 -0.724 5.358 -5.407 223 HA GLN 32 HA GLN 32 1.883 4.949 -6.055 224 HB2 GLN 32 1HB GLN 32 -0.207 6.635 -7.413 225 HB3 GLN 32 2HB GLN 32 1.391 6.412 -8.112 226 HG2 GLN 32 1HG GLN 32 1.055 4.138 -8.466 227 HG3 GLN 32 2HG GLN 32 -0.290 4.065 -7.328 228 HE21 GLN 32 1HE2 GLN 32 -1.950 3.415 -8.529 229 HE22 GLN 32 2HE2 GLN 32 -2.501 4.187 -9.973 230 H ARG 33 H ARG 33 0.525 7.794 -4.658 231 HA ARG 33 HA ARG 33 2.343 9.751 -5.416 232 HB2 ARG 33 1HB ARG 33 0.832 9.360 -2.834 233 HB3 ARG 33 2HB ARG 33 1.793 10.794 -3.171 234 HG2 ARG 33 1HG ARG 33 0.373 11.062 -5.263 235 HG3 ARG 33 2HG ARG 33 -0.698 9.854 -4.550 236 HD2 ARG 33 1HD ARG 33 -0.591 11.411 -2.459 237 HD3 ARG 33 2HD ARG 33 -0.081 12.628 -3.628 238 HE ARG 33 HE ARG 33 -2.715 11.566 -3.286 239 HH11 ARG 33 1HH1 ARG 33 -0.504 12.959 -5.585 240 HH12 ARG 33 2HH1 ARG 33 -1.756 13.568 -6.617 241 HH21 ARG 33 1HH2 ARG 33 -4.372 12.363 -4.635 242 HH22 ARG 33 2HH2 ARG 33 -3.955 13.230 -6.075 243 H VAL 34 H VAL 34 2.561 7.350 -2.829 244 HA VAL 34 HA VAL 34 4.903 8.278 -1.610 245 HB VAL 34 HB VAL 34 5.137 6.088 -0.638 246 HG11 VAL 34 1HG1 VAL 34 2.813 7.636 -0.506 247 HG12 VAL 34 2HG1 VAL 34 2.262 5.962 -0.586 248 HG13 VAL 34 3HG1 VAL 34 3.385 6.462 0.679 249 HG21 VAL 34 3HG2 VAL 34 4.511 4.166 -1.603 250 HG22 VAL 34 1HG2 VAL 34 2.928 4.800 -2.051 251 HG23 VAL 34 2HG2 VAL 34 4.329 5.127 -3.071 252 H HIS 35 H HIS 35 4.408 6.646 -4.605 253 HA HIS 35 HA HIS 35 7.156 5.754 -4.836 254 HB2 HIS 35 1HB HIS 35 4.776 5.640 -6.685 255 HB3 HIS 35 2HB HIS 35 6.386 5.139 -7.193 256 HD1 HIS 35 HD1 HIS 35 7.449 3.133 -5.702 257 HD2 HIS 35 HD2 HIS 35 3.344 3.707 -5.416 258 HE1 HIS 35 HE1 HIS 35 6.539 1.004 -4.722 259 H THR 36 H THR 36 5.122 8.362 -6.001 260 HA THR 36 HA THR 36 7.297 9.414 -7.649 261 HB THR 36 HB THR 36 5.201 9.490 -8.770 262 HG1 THR 36 HG1 THR 36 6.457 11.410 -8.973 263 HG21 THR 36 3HG2 THR 36 3.354 9.444 -7.507 264 HG22 THR 36 1HG2 THR 36 3.521 11.195 -7.385 265 HG23 THR 36 2HG2 THR 36 4.187 10.155 -6.125 266 H GLY 37 H GLY 37 8.757 10.185 -6.130 267 HA2 GLY 37 1HA GLY 37 8.050 12.746 -4.967 268 HA3 GLY 37 2HA GLY 37 8.454 11.493 -3.803 269 H GLU 38 H GLU 38 10.578 10.756 -3.641 270 HA GLU 38 HA GLU 38 12.551 12.584 -4.806 271 HB2 GLU 38 1HB GLU 38 14.021 11.955 -3.027 272 HB3 GLU 38 2HB GLU 38 12.446 12.289 -2.320 273 HG2 GLU 38 1HG GLU 38 12.950 10.367 -1.228 274 HG3 GLU 38 2HG GLU 38 12.137 9.692 -2.638 275 H LYS 39 H LYS 39 11.642 9.215 -4.632 276 HA LYS 39 HA LYS 39 14.025 8.214 -5.863 277 HB2 LYS 39 1HB LYS 39 12.171 7.013 -4.396 278 HB3 LYS 39 2HB LYS 39 11.456 6.701 -5.972 279 HG2 LYS 39 1HG LYS 39 12.724 4.819 -5.677 280 HG3 LYS 39 2HG LYS 39 13.849 5.847 -6.568 281 HD2 LYS 39 1HD LYS 39 13.856 5.991 -3.596 282 HD3 LYS 39 2HD LYS 39 14.579 4.577 -4.366 283 HE2 LYS 39 1HE LYS 39 15.777 6.376 -5.844 284 HE3 LYS 39 2HE LYS 39 15.402 7.444 -4.493 285 HZ1 LYS 39 3HZ LYS 39 16.440 5.177 -3.347 286 HZ2 LYS 39 1HZ LYS 39 17.229 6.662 -3.538 287 HZ3 LYS 39 2HZ LYS 39 17.418 5.448 -4.700 288 H LEU 40 H LEU 40 14.487 7.943 -7.967 289 HA LEU 40 HA LEU 40 13.066 9.317 -9.950 290 HB2 LEU 40 1HB LEU 40 14.543 8.203 -11.541 291 HB3 LEU 40 2HB LEU 40 15.430 8.822 -10.149 292 HG LEU 40 HG LEU 40 15.203 6.378 -9.266 293 HD11 LEU 40 1HD1 LEU 40 14.203 4.939 -10.623 294 HD12 LEU 40 2HD1 LEU 40 15.501 5.187 -11.790 295 HD13 LEU 40 3HD1 LEU 40 14.039 6.170 -11.875 296 HD21 LEU 40 3HD2 LEU 40 17.362 6.009 -9.940 297 HD22 LEU 40 1HD2 LEU 40 17.232 7.746 -10.219 298 HD23 LEU 40 2HD2 LEU 40 17.077 6.622 -11.569 299 H SER 41 H SER 41 11.672 8.670 -11.559 300 HA SER 41 HA SER 41 9.997 6.431 -10.951 301 HB2 SER 41 1HB SER 41 8.715 7.134 -12.939 302 HB3 SER 41 2HB SER 41 9.053 8.497 -11.872 303 HG SER 41 HG SER 41 9.548 9.174 -13.907 304 H GLY 42 H GLY 42 9.394 4.794 -12.601 305 HA2 GLY 42 1HA GLY 42 11.746 3.996 -14.204 306 HA3 GLY 42 2HA GLY 42 10.806 2.840 -13.271 307 HA PRO 43 HA PRO 43 7.909 4.239 -16.877 308 HB2 PRO 43 1HB PRO 43 8.992 5.861 -18.766 309 HB3 PRO 43 2HB PRO 43 8.176 6.477 -17.324 310 HG2 PRO 43 1HG PRO 43 11.105 6.156 -17.851 311 HG3 PRO 43 2HG PRO 43 10.247 7.508 -17.089 312 HD2 PRO 43 1HD PRO 43 11.567 5.628 -15.656 313 HD3 PRO 43 2HD PRO 43 10.105 6.436 -15.054 314 H SER 44 H SER 44 8.162 2.091 -17.491 315 HA SER 44 HA SER 44 9.991 1.646 -19.757 316 HB2 SER 44 1HB SER 44 10.349 -0.642 -19.004 317 HB3 SER 44 2HB SER 44 10.779 0.477 -17.711 318 HG SER 44 HG SER 44 8.325 0.023 -17.229 319 H SER 45 H SER 45 6.830 1.636 -18.608 320 HA SER 45 HA SER 45 5.936 -0.082 -20.830 321 HB2 SER 45 1HB SER 45 4.916 0.304 -18.058 322 HB3 SER 45 2HB SER 45 3.728 0.022 -19.330 323 HG SER 45 HG SER 45 5.997 -1.630 -18.972 324 H GLY 46 H GLY 46 4.930 2.753 -18.910 325 HA2 GLY 46 1HA GLY 46 4.538 4.850 -20.123 326 HA3 GLY 46 2HA GLY 46 3.810 3.886 -21.399 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 12.656 -6.327 11.872 2 HA2 GLY 1 1HA GLY 1 11.325 -6.253 9.758 3 HA3 GLY 1 2HA GLY 1 12.702 -7.043 9.004 4 H SER 2 H SER 2 9.730 -7.504 10.488 5 HA SER 2 HA SER 2 10.241 -10.395 10.679 6 HB2 SER 2 1HB SER 2 10.115 -9.704 12.953 7 HB3 SER 2 2HB SER 2 8.741 -8.647 12.632 8 HG SER 2 HG SER 2 8.446 -10.906 13.598 9 H SER 3 H SER 3 9.302 -10.883 8.731 10 HA SER 3 HA SER 3 6.429 -10.266 8.490 11 HB2 SER 3 1HB SER 3 8.625 -10.201 6.473 12 HB3 SER 3 2HB SER 3 7.030 -10.729 5.937 13 HG SER 3 HG SER 3 7.363 -8.360 7.432 14 H GLY 4 H GLY 4 5.064 -11.894 7.698 15 HA2 GLY 4 1HA GLY 4 5.840 -14.396 6.744 16 HA3 GLY 4 2HA GLY 4 5.734 -14.525 8.493 17 H SER 5 H SER 5 3.961 -14.056 5.530 18 HA SER 5 HA SER 5 1.519 -14.874 6.909 19 HB2 SER 5 1HB SER 5 1.642 -12.448 5.101 20 HB3 SER 5 2HB SER 5 0.185 -13.119 5.833 21 HG SER 5 HG SER 5 0.897 -11.432 7.108 22 H SER 6 H SER 6 -0.102 -15.737 5.496 23 HA SER 6 HA SER 6 0.931 -16.504 2.845 24 HB2 SER 6 1HB SER 6 0.842 -18.318 4.704 25 HB3 SER 6 2HB SER 6 -0.900 -18.285 4.431 26 HG SER 6 HG SER 6 1.116 -19.301 2.857 27 H GLY 7 H GLY 7 -0.229 -14.797 1.869 28 HA2 GLY 7 1HA GLY 7 -2.229 -14.799 0.407 29 HA3 GLY 7 2HA GLY 7 -3.155 -15.217 1.841 30 H SER 8 H SER 8 -2.019 -12.709 -0.111 31 HA SER 8 HA SER 8 -2.483 -10.687 1.964 32 HB2 SER 8 1HB SER 8 -0.379 -10.565 0.615 33 HB3 SER 8 2HB SER 8 -1.365 -10.295 -0.822 34 HG SER 8 HG SER 8 -0.704 -8.317 0.021 35 H GLY 9 H GLY 9 -4.729 -12.064 1.033 36 HA2 GLY 9 1HA GLY 9 -6.856 -11.667 0.267 37 HA3 GLY 9 2HA GLY 9 -6.464 -9.959 0.396 38 H GLU 10 H GLU 10 -8.034 -10.128 -1.527 39 HA GLU 10 HA GLU 10 -6.398 -10.098 -3.950 40 HB2 GLU 10 1HB GLU 10 -9.059 -11.522 -3.768 41 HB3 GLU 10 2HB GLU 10 -8.096 -11.317 -5.225 42 HG2 GLU 10 1HG GLU 10 -7.036 -12.738 -2.808 43 HG3 GLU 10 2HG GLU 10 -7.980 -13.564 -4.046 44 H LYS 11 H LYS 11 -6.739 -8.315 -5.100 45 HA LYS 11 HA LYS 11 -9.344 -6.976 -4.931 46 HB2 LYS 11 1HB LYS 11 -6.648 -5.773 -4.363 47 HB3 LYS 11 2HB LYS 11 -7.982 -4.777 -4.930 48 HG2 LYS 11 1HG LYS 11 -9.131 -4.953 -2.976 49 HG3 LYS 11 2HG LYS 11 -8.479 -6.552 -2.607 50 HD2 LYS 11 1HD LYS 11 -6.724 -4.119 -2.582 51 HD3 LYS 11 2HD LYS 11 -7.709 -4.546 -1.181 52 HE2 LYS 11 1HE LYS 11 -6.620 -6.902 -1.514 53 HE3 LYS 11 2HE LYS 11 -5.393 -5.992 -2.393 54 HZ1 LYS 11 3HZ LYS 11 -6.207 -5.611 0.436 55 HZ2 LYS 11 1HZ LYS 11 -5.156 -4.577 -0.394 56 HZ3 LYS 11 2HZ LYS 11 -4.721 -6.190 -0.128 57 HA PRO 12 HA PRO 12 -8.994 -6.547 -9.287 58 HB2 PRO 12 1HB PRO 12 -10.394 -4.257 -9.694 59 HB3 PRO 12 2HB PRO 12 -11.163 -5.789 -9.263 60 HG2 PRO 12 1HG PRO 12 -10.468 -3.461 -7.515 61 HG3 PRO 12 2HG PRO 12 -11.944 -4.443 -7.535 62 HD2 PRO 12 1HD PRO 12 -9.977 -4.806 -5.710 63 HD3 PRO 12 2HD PRO 12 -10.980 -6.142 -6.311 64 H TYR 13 H TYR 13 -8.551 -3.422 -7.617 65 HA TYR 13 HA TYR 13 -6.729 -2.515 -9.679 66 HB2 TYR 13 1HB TYR 13 -7.409 -1.126 -7.085 67 HB3 TYR 13 2HB TYR 13 -6.746 -0.404 -8.547 68 HD1 TYR 13 HD1 TYR 13 -8.173 -0.014 -10.500 69 HD2 TYR 13 HD2 TYR 13 -9.765 -1.606 -6.889 70 HE1 TYR 13 HE1 TYR 13 -10.447 0.506 -11.280 71 HE2 TYR 13 HE2 TYR 13 -12.043 -1.092 -7.660 72 HH TYR 13 HH TYR 13 -12.869 0.939 -9.730 73 H LYS 14 H LYS 14 -4.553 -2.331 -9.522 74 HA LYS 14 HA LYS 14 -3.241 -2.868 -6.970 75 HB2 LYS 14 1HB LYS 14 -2.627 -4.434 -9.484 76 HB3 LYS 14 2HB LYS 14 -1.757 -4.553 -7.960 77 HG2 LYS 14 1HG LYS 14 -3.129 -6.354 -7.765 78 HG3 LYS 14 2HG LYS 14 -4.156 -5.121 -7.028 79 HD2 LYS 14 1HD LYS 14 -5.618 -6.149 -8.494 80 HD3 LYS 14 2HD LYS 14 -5.035 -4.789 -9.457 81 HE2 LYS 14 1HE LYS 14 -4.781 -6.478 -10.974 82 HE3 LYS 14 2HE LYS 14 -3.204 -6.542 -10.188 83 HZ1 LYS 14 3HZ LYS 14 -5.536 -8.280 -9.584 84 HZ2 LYS 14 1HZ LYS 14 -4.061 -8.315 -8.755 85 HZ3 LYS 14 2HZ LYS 14 -4.123 -8.744 -10.390 86 H CYS 15 H CYS 15 -1.092 -2.117 -6.851 87 HA CYS 15 HA CYS 15 -0.560 0.170 -8.469 88 HB2 CYS 15 1HB CYS 15 0.063 -0.099 -6.035 89 HB3 CYS 15 2HB CYS 15 1.345 -1.187 -6.556 90 H VAL 16 H VAL 16 1.377 0.539 -9.722 91 HA VAL 16 HA VAL 16 2.208 -1.883 -11.165 92 HB VAL 16 HB VAL 16 1.116 -0.030 -12.459 93 HG11 VAL 16 1HG1 VAL 16 1.945 1.918 -11.405 94 HG12 VAL 16 2HG1 VAL 16 3.621 1.418 -11.635 95 HG13 VAL 16 3HG1 VAL 16 2.645 1.901 -13.023 96 HG21 VAL 16 3HG2 VAL 16 2.904 -0.009 -14.256 97 HG22 VAL 16 1HG2 VAL 16 3.909 -0.920 -13.128 98 HG23 VAL 16 2HG2 VAL 16 2.382 -1.597 -13.693 99 H GLU 17 H GLU 17 3.323 0.532 -9.035 100 HA GLU 17 HA GLU 17 6.098 0.381 -9.811 101 HB2 GLU 17 1HB GLU 17 4.639 1.699 -7.530 102 HB3 GLU 17 2HB GLU 17 6.395 1.663 -7.607 103 HG2 GLU 17 1HG GLU 17 4.564 2.873 -9.667 104 HG3 GLU 17 2HG GLU 17 5.507 3.756 -8.467 105 H CYS 18 H CYS 18 4.120 -0.779 -7.099 106 HA CYS 18 HA CYS 18 6.323 -2.595 -6.369 107 HB2 CYS 18 1HB CYS 18 5.179 -2.702 -4.125 108 HB3 CYS 18 2HB CYS 18 5.863 -1.133 -4.535 109 H GLY 19 H GLY 19 2.830 -2.337 -6.843 110 HA2 GLY 19 1HA GLY 19 1.690 -4.124 -8.019 111 HA3 GLY 19 2HA GLY 19 2.769 -5.261 -7.225 112 H LYS 20 H LYS 20 1.582 -2.723 -5.262 113 HA LYS 20 HA LYS 20 0.372 -4.433 -3.411 114 HB2 LYS 20 1HB LYS 20 1.110 -1.836 -3.377 115 HB3 LYS 20 2HB LYS 20 -0.632 -1.650 -3.538 116 HG2 LYS 20 1HG LYS 20 -0.508 -1.689 -1.283 117 HG3 LYS 20 2HG LYS 20 -0.605 -3.429 -1.561 118 HD2 LYS 20 1HD LYS 20 2.074 -2.121 -1.536 119 HD3 LYS 20 2HD LYS 20 1.251 -2.407 -0.001 120 HE2 LYS 20 1HE LYS 20 0.918 -4.812 -0.952 121 HE3 LYS 20 2HE LYS 20 2.254 -4.375 -2.016 122 HZ1 LYS 20 3HZ LYS 20 2.483 -3.981 0.895 123 HZ2 LYS 20 1HZ LYS 20 3.709 -4.188 -0.252 124 HZ3 LYS 20 2HZ LYS 20 2.761 -5.507 0.220 125 H GLY 21 H GLY 21 -2.026 -3.901 -2.675 126 HA2 GLY 21 1HA GLY 21 -3.771 -3.930 -5.049 127 HA3 GLY 21 2HA GLY 21 -3.905 -5.200 -3.843 128 H TYR 22 H TYR 22 -5.606 -2.797 -4.861 129 HA TYR 22 HA TYR 22 -6.516 -2.031 -2.176 130 HB2 TYR 22 1HB TYR 22 -5.985 -0.184 -4.501 131 HB3 TYR 22 2HB TYR 22 -7.026 0.267 -3.155 132 HD1 TYR 22 HD2 TYR 22 -3.566 -0.799 -3.992 133 HD2 TYR 22 HD1 TYR 22 -6.109 1.120 -1.171 134 HE1 TYR 22 HE2 TYR 22 -1.593 -0.063 -2.723 135 HE2 TYR 22 HE1 TYR 22 -4.142 1.861 0.106 136 HH TYR 22 HH TYR 22 -1.489 0.752 0.209 137 H LYS 23 H LYS 23 -8.664 -2.136 -1.892 138 HA LYS 23 HA LYS 23 -10.325 -3.462 -3.673 139 HB2 LYS 23 1HB LYS 23 -12.202 -2.604 -2.261 140 HB3 LYS 23 2HB LYS 23 -10.900 -3.354 -1.347 141 HG2 LYS 23 1HG LYS 23 -10.048 -0.848 -1.223 142 HG3 LYS 23 2HG LYS 23 -11.769 -0.523 -1.444 143 HD2 LYS 23 1HD LYS 23 -10.927 -2.539 0.587 144 HD3 LYS 23 2HD LYS 23 -10.748 -0.823 0.960 145 HE2 LYS 23 1HE LYS 23 -13.062 -0.432 0.741 146 HE3 LYS 23 2HE LYS 23 -13.328 -1.981 -0.057 147 HZ1 LYS 23 3HZ LYS 23 -13.924 -1.687 2.434 148 HZ2 LYS 23 1HZ LYS 23 -12.269 -1.935 2.685 149 HZ3 LYS 23 2HZ LYS 23 -13.195 -3.121 1.913 150 H ARG 24 H ARG 24 -9.871 0.009 -3.184 151 HA ARG 24 HA ARG 24 -11.520 0.491 -5.578 152 HB2 ARG 24 1HB ARG 24 -11.735 2.842 -4.636 153 HB3 ARG 24 2HB ARG 24 -12.589 1.573 -3.768 154 HG2 ARG 24 1HG ARG 24 -10.783 1.491 -2.119 155 HG3 ARG 24 2HG ARG 24 -9.943 2.778 -2.985 156 HD2 ARG 24 1HD ARG 24 -11.036 3.967 -1.343 157 HD3 ARG 24 2HD ARG 24 -12.187 4.067 -2.675 158 HE ARG 24 HE ARG 24 -13.063 1.903 -1.385 159 HH11 ARG 24 1HH1 ARG 24 -12.116 5.039 -0.208 160 HH12 ARG 24 2HH1 ARG 24 -13.198 5.002 1.145 161 HH21 ARG 24 1HH2 ARG 24 -14.491 1.842 0.392 162 HH22 ARG 24 2HH2 ARG 24 -14.548 3.182 1.485 163 H ARG 25 H ARG 25 -10.830 2.186 -7.013 164 HA ARG 25 HA ARG 25 -7.992 2.153 -7.434 165 HB2 ARG 25 1HB ARG 25 -9.853 2.160 -9.215 166 HB3 ARG 25 2HB ARG 25 -9.948 3.891 -8.920 167 HG2 ARG 25 1HG ARG 25 -7.721 4.227 -9.664 168 HG3 ARG 25 2HG ARG 25 -7.403 2.492 -9.693 169 HD2 ARG 25 1HD ARG 25 -7.752 3.160 -11.941 170 HD3 ARG 25 2HD ARG 25 -9.205 2.300 -11.435 171 HE ARG 25 HE ARG 25 -9.837 4.868 -10.930 172 HH11 ARG 25 1HH1 ARG 25 -8.536 3.265 -13.733 173 HH12 ARG 25 2HH1 ARG 25 -9.262 4.363 -14.860 174 HH21 ARG 25 1HH2 ARG 25 -10.797 6.321 -12.403 175 HH22 ARG 25 2HH2 ARG 25 -10.547 6.102 -14.102 176 H LEU 26 H LEU 26 -10.289 4.341 -6.025 177 HA LEU 26 HA LEU 26 -8.824 6.734 -6.205 178 HB2 LEU 26 1HB LEU 26 -11.269 6.288 -5.466 179 HB3 LEU 26 2HB LEU 26 -10.569 6.084 -3.862 180 HG LEU 26 HG LEU 26 -11.350 8.301 -3.948 181 HD11 LEU 26 1HD1 LEU 26 -9.459 9.487 -3.391 182 HD12 LEU 26 2HD1 LEU 26 -8.496 8.769 -4.682 183 HD13 LEU 26 3HD1 LEU 26 -8.885 7.826 -3.243 184 HD21 LEU 26 3HD2 LEU 26 -10.035 8.444 -6.653 185 HD22 LEU 26 1HD2 LEU 26 -10.614 9.861 -5.777 186 HD23 LEU 26 2HD2 LEU 26 -11.750 8.605 -6.269 187 H ASP 27 H ASP 27 -8.921 4.231 -3.693 188 HA ASP 27 HA ASP 27 -7.191 5.480 -1.872 189 HB2 ASP 27 1HB ASP 27 -7.921 2.602 -2.365 190 HB3 ASP 27 2HB ASP 27 -6.755 3.051 -1.123 191 H LEU 28 H LEU 28 -6.491 3.010 -4.344 192 HA LEU 28 HA LEU 28 -3.722 2.908 -3.924 193 HB2 LEU 28 1HB LEU 28 -4.653 1.156 -5.156 194 HB3 LEU 28 2HB LEU 28 -5.482 2.253 -6.259 195 HG LEU 28 HG LEU 28 -2.963 2.883 -6.875 196 HD11 LEU 28 1HD1 LEU 28 -1.898 0.462 -7.013 197 HD12 LEU 28 2HD1 LEU 28 -2.842 0.236 -5.541 198 HD13 LEU 28 3HD1 LEU 28 -1.637 1.521 -5.626 199 HD21 LEU 28 3HD2 LEU 28 -4.184 2.283 -8.687 200 HD22 LEU 28 1HD2 LEU 28 -4.878 0.870 -7.892 201 HD23 LEU 28 2HD2 LEU 28 -3.235 0.804 -8.531 202 H ASP 29 H ASP 29 -5.609 4.764 -6.302 203 HA ASP 29 HA ASP 29 -3.655 6.006 -7.726 204 HB2 ASP 29 1HB ASP 29 -6.079 6.342 -8.086 205 HB3 ASP 29 2HB ASP 29 -6.138 7.361 -6.650 206 H PHE 30 H PHE 30 -4.632 6.713 -4.431 207 HA PHE 30 HA PHE 30 -2.941 9.050 -4.249 208 HB2 PHE 30 1HB PHE 30 -5.187 8.412 -2.949 209 HB3 PHE 30 2HB PHE 30 -4.027 7.747 -1.804 210 HD1 PHE 30 HD1 PHE 30 -1.999 9.405 -1.283 211 HD2 PHE 30 HD2 PHE 30 -5.866 10.572 -2.626 212 HE1 PHE 30 HE1 PHE 30 -1.647 11.649 -0.337 213 HE2 PHE 30 HE2 PHE 30 -5.519 12.818 -1.683 214 HZ PHE 30 HZ PHE 30 -3.407 13.359 -0.537 215 H HIS 31 H HIS 31 -2.719 5.658 -3.594 216 HA HIS 31 HA HIS 31 -0.595 5.693 -1.738 217 HB2 HIS 31 1HB HIS 31 -1.584 3.620 -1.812 218 HB3 HIS 31 2HB HIS 31 -1.796 3.664 -3.559 219 HD1 HIS 31 HD1 HIS 31 0.895 3.065 -0.969 220 HD2 HIS 31 HD2 HIS 31 0.131 2.350 -4.990 221 HE1 HIS 31 HE1 HIS 31 2.756 1.565 -1.751 222 H GLN 32 H GLN 32 -0.630 5.403 -5.277 223 HA GLN 32 HA GLN 32 2.036 4.999 -5.783 224 HB2 GLN 32 1HB GLN 32 -0.030 6.591 -7.286 225 HB3 GLN 32 2HB GLN 32 1.604 6.383 -7.901 226 HG2 GLN 32 1HG GLN 32 1.333 4.035 -8.077 227 HG3 GLN 32 2HG GLN 32 -0.182 4.079 -7.177 228 HE21 GLN 32 1HE2 GLN 32 -1.772 3.580 -8.498 229 HE22 GLN 32 2HE2 GLN 32 -1.999 4.192 -10.097 230 H ARG 33 H ARG 33 0.487 7.869 -4.610 231 HA ARG 33 HA ARG 33 2.161 9.907 -5.290 232 HB2 ARG 33 1HB ARG 33 1.029 9.416 -2.529 233 HB3 ARG 33 2HB ARG 33 1.596 10.961 -3.148 234 HG2 ARG 33 1HG ARG 33 -0.520 9.551 -4.675 235 HG3 ARG 33 2HG ARG 33 -0.961 10.304 -3.141 236 HD2 ARG 33 1HD ARG 33 -0.426 12.436 -3.890 237 HD3 ARG 33 2HD ARG 33 0.611 11.828 -5.180 238 HE ARG 33 HE ARG 33 -1.888 10.933 -5.824 239 HH11 ARG 33 1HH1 ARG 33 -0.468 14.045 -5.177 240 HH12 ARG 33 2HH1 ARG 33 -1.553 14.902 -6.221 241 HH21 ARG 33 1HH2 ARG 33 -3.322 12.050 -7.202 242 HH22 ARG 33 2HH2 ARG 33 -3.176 13.767 -7.372 243 H VAL 34 H VAL 34 2.758 7.373 -2.923 244 HA VAL 34 HA VAL 34 5.097 8.464 -1.784 245 HB VAL 34 HB VAL 34 5.578 6.198 -0.988 246 HG11 VAL 34 1HG1 VAL 34 3.633 5.907 0.375 247 HG12 VAL 34 2HG1 VAL 34 3.867 7.637 0.120 248 HG13 VAL 34 3HG1 VAL 34 2.626 6.770 -0.787 249 HG21 VAL 34 3HG2 VAL 34 3.760 5.485 -3.182 250 HG22 VAL 34 1HG2 VAL 34 5.081 4.569 -2.456 251 HG23 VAL 34 2HG2 VAL 34 3.498 4.598 -1.681 252 H HIS 35 H HIS 35 4.540 6.456 -4.618 253 HA HIS 35 HA HIS 35 7.300 5.910 -5.110 254 HB2 HIS 35 1HB HIS 35 4.851 5.698 -6.868 255 HB3 HIS 35 2HB HIS 35 6.459 5.189 -7.373 256 HD1 HIS 35 HD1 HIS 35 7.543 3.449 -5.370 257 HD2 HIS 35 HD2 HIS 35 3.437 3.586 -5.989 258 HE1 HIS 35 HE1 HIS 35 6.649 1.293 -4.433 259 H THR 36 H THR 36 5.006 8.344 -6.207 260 HA THR 36 HA THR 36 6.724 9.478 -8.181 261 HB THR 36 HB THR 36 5.134 11.423 -8.090 262 HG1 THR 36 HG1 THR 36 4.276 11.441 -6.092 263 HG21 THR 36 3HG2 THR 36 3.587 10.341 -9.385 264 HG22 THR 36 1HG2 THR 36 3.454 8.974 -8.280 265 HG23 THR 36 2HG2 THR 36 4.848 9.109 -9.352 266 H GLY 37 H GLY 37 8.713 9.934 -7.243 267 HA2 GLY 37 1HA GLY 37 9.218 12.446 -6.292 268 HA3 GLY 37 2HA GLY 37 8.929 11.496 -4.842 269 H GLU 38 H GLU 38 10.079 9.065 -5.694 270 HA GLU 38 HA GLU 38 12.591 9.094 -4.811 271 HB2 GLU 38 1HB GLU 38 11.510 7.516 -7.141 272 HB3 GLU 38 2HB GLU 38 13.107 7.228 -6.465 273 HG2 GLU 38 1HG GLU 38 12.164 6.632 -4.341 274 HG3 GLU 38 2HG GLU 38 10.549 7.076 -4.890 275 H LYS 39 H LYS 39 14.498 9.963 -5.307 276 HA LYS 39 HA LYS 39 14.772 11.789 -7.448 277 HB2 LYS 39 1HB LYS 39 16.716 10.589 -5.490 278 HB3 LYS 39 2HB LYS 39 17.254 11.677 -6.763 279 HG2 LYS 39 1HG LYS 39 16.946 13.199 -5.119 280 HG3 LYS 39 2HG LYS 39 15.304 13.181 -5.767 281 HD2 LYS 39 1HD LYS 39 14.851 11.335 -4.047 282 HD3 LYS 39 2HD LYS 39 16.364 11.844 -3.294 283 HE2 LYS 39 1HE LYS 39 15.413 14.180 -3.247 284 HE3 LYS 39 2HE LYS 39 13.869 13.474 -3.722 285 HZ1 LYS 39 3HZ LYS 39 14.457 11.936 -1.656 286 HZ2 LYS 39 1HZ LYS 39 13.605 13.389 -1.497 287 HZ3 LYS 39 2HZ LYS 39 15.264 13.341 -1.171 288 H LEU 40 H LEU 40 16.558 11.685 -9.071 289 HA LEU 40 HA LEU 40 17.048 10.688 -11.106 290 HB2 LEU 40 1HB LEU 40 18.763 8.862 -10.721 291 HB3 LEU 40 2HB LEU 40 19.094 10.436 -10.001 292 HG LEU 40 HG LEU 40 18.021 9.355 -7.871 293 HD11 LEU 40 1HD1 LEU 40 17.254 7.300 -8.726 294 HD12 LEU 40 2HD1 LEU 40 18.696 6.915 -7.788 295 HD13 LEU 40 3HD1 LEU 40 18.781 6.980 -9.548 296 HD21 LEU 40 3HD2 LEU 40 20.611 9.783 -8.783 297 HD22 LEU 40 1HD2 LEU 40 20.625 8.133 -8.158 298 HD23 LEU 40 2HD2 LEU 40 20.112 9.465 -7.121 299 H SER 41 H SER 41 14.504 9.826 -10.283 300 HA SER 41 HA SER 41 13.902 7.207 -10.050 301 HB2 SER 41 1HB SER 41 11.812 7.645 -11.040 302 HB3 SER 41 2HB SER 41 12.328 9.216 -10.427 303 HG SER 41 HG SER 41 12.487 9.938 -12.405 304 H GLY 42 H GLY 42 13.712 5.396 -11.354 305 HA2 GLY 42 1HA GLY 42 14.553 5.554 -14.139 306 HA3 GLY 42 2HA GLY 42 15.605 4.641 -13.067 307 HA PRO 43 HA PRO 43 11.321 2.353 -13.424 308 HB2 PRO 43 1HB PRO 43 9.944 2.929 -15.692 309 HB3 PRO 43 2HB PRO 43 9.697 3.796 -14.171 310 HG2 PRO 43 1HG PRO 43 11.315 4.587 -16.563 311 HG3 PRO 43 2HG PRO 43 10.225 5.576 -15.572 312 HD2 PRO 43 1HD PRO 43 12.917 5.639 -15.283 313 HD3 PRO 43 2HD PRO 43 11.804 5.888 -13.922 314 H SER 44 H SER 44 12.561 0.553 -13.806 315 HA SER 44 HA SER 44 13.075 -0.101 -16.634 316 HB2 SER 44 1HB SER 44 15.075 0.295 -14.970 317 HB3 SER 44 2HB SER 44 14.686 -1.338 -14.432 318 HG SER 44 HG SER 44 16.157 -0.707 -16.467 319 H SER 45 H SER 45 12.341 -1.423 -13.428 320 HA SER 45 HA SER 45 11.841 -4.065 -14.240 321 HB2 SER 45 1HB SER 45 10.747 -2.497 -11.894 322 HB3 SER 45 2HB SER 45 10.554 -4.238 -12.100 323 HG SER 45 HG SER 45 13.050 -3.982 -12.377 324 H GLY 46 H GLY 46 10.572 -4.173 -16.069 325 HA2 GLY 46 1HA GLY 46 8.656 -4.162 -17.338 326 HA3 GLY 46 2HA GLY 46 7.836 -4.428 -15.807 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 14.985 -23.901 -3.975 2 HA2 GLY 1 1HA GLY 1 14.488 -25.401 -1.562 3 HA3 GLY 1 2HA GLY 1 15.966 -24.451 -1.504 4 H SER 2 H SER 2 15.632 -22.097 -2.250 5 HA SER 2 HA SER 2 14.107 -20.737 -0.442 6 HB2 SER 2 1HB SER 2 15.737 -19.521 -1.675 7 HB3 SER 2 2HB SER 2 14.984 -19.929 -3.216 8 HG SER 2 HG SER 2 13.297 -18.636 -1.493 9 H SER 3 H SER 3 12.014 -20.360 -0.132 10 HA SER 3 HA SER 3 10.169 -20.688 -2.402 11 HB2 SER 3 1HB SER 3 9.663 -21.640 0.428 12 HB3 SER 3 2HB SER 3 8.558 -21.794 -0.938 13 HG SER 3 HG SER 3 10.189 -23.589 -0.247 14 H GLY 4 H GLY 4 9.593 -18.624 -2.783 15 HA2 GLY 4 1HA GLY 4 9.347 -16.628 -0.785 16 HA3 GLY 4 2HA GLY 4 8.760 -16.510 -2.437 17 H SER 5 H SER 5 6.750 -15.722 -2.180 18 HA SER 5 HA SER 5 4.766 -17.464 -1.004 19 HB2 SER 5 1HB SER 5 5.755 -15.789 0.785 20 HB3 SER 5 2HB SER 5 4.675 -14.644 -0.010 21 HG SER 5 HG SER 5 3.468 -15.572 1.562 22 H SER 6 H SER 6 2.665 -17.042 -1.725 23 HA SER 6 HA SER 6 2.475 -15.017 -3.859 24 HB2 SER 6 1HB SER 6 1.215 -17.766 -3.735 25 HB3 SER 6 2HB SER 6 0.847 -16.557 -4.965 26 HG SER 6 HG SER 6 2.429 -17.689 -5.892 27 H GLY 7 H GLY 7 0.589 -13.825 -4.027 28 HA2 GLY 7 1HA GLY 7 -0.782 -13.229 -1.660 29 HA3 GLY 7 2HA GLY 7 -1.289 -12.745 -3.272 30 H SER 8 H SER 8 -2.708 -13.820 -0.797 31 HA SER 8 HA SER 8 -3.893 -16.267 -1.848 32 HB2 SER 8 1HB SER 8 -3.266 -15.721 0.658 33 HB3 SER 8 2HB SER 8 -4.852 -14.950 0.662 34 HG SER 8 HG SER 8 -4.674 -17.295 1.238 35 H GLY 9 H GLY 9 -4.879 -12.981 -0.928 36 HA2 GLY 9 1HA GLY 9 -7.522 -13.434 -2.098 37 HA3 GLY 9 2HA GLY 9 -7.030 -12.034 -1.155 38 H GLU 10 H GLU 10 -8.424 -12.058 -3.686 39 HA GLU 10 HA GLU 10 -6.398 -10.861 -5.454 40 HB2 GLU 10 1HB GLU 10 -7.662 -12.756 -6.409 41 HB3 GLU 10 2HB GLU 10 -9.161 -11.877 -6.144 42 HG2 GLU 10 1HG GLU 10 -8.017 -10.046 -7.600 43 HG3 GLU 10 2HG GLU 10 -7.004 -11.384 -8.139 44 H LYS 11 H LYS 11 -6.752 -8.840 -6.377 45 HA LYS 11 HA LYS 11 -9.006 -7.292 -5.291 46 HB2 LYS 11 1HB LYS 11 -6.169 -6.285 -5.568 47 HB3 LYS 11 2HB LYS 11 -7.542 -5.375 -4.953 48 HG2 LYS 11 1HG LYS 11 -6.859 -7.921 -3.596 49 HG3 LYS 11 2HG LYS 11 -5.790 -6.538 -3.352 50 HD2 LYS 11 1HD LYS 11 -8.707 -6.068 -3.095 51 HD3 LYS 11 2HD LYS 11 -7.920 -6.994 -1.815 52 HE2 LYS 11 1HE LYS 11 -6.175 -5.060 -1.875 53 HE3 LYS 11 2HE LYS 11 -7.471 -4.163 -2.664 54 HZ1 LYS 11 3HZ LYS 11 -7.131 -4.710 0.074 55 HZ2 LYS 11 1HZ LYS 11 -8.573 -5.427 -0.446 56 HZ3 LYS 11 2HZ LYS 11 -8.321 -3.770 -0.675 57 HA PRO 12 HA PRO 12 -9.719 -5.940 -9.408 58 HB2 PRO 12 1HB PRO 12 -10.759 -3.472 -8.964 59 HB3 PRO 12 2HB PRO 12 -11.644 -4.963 -8.621 60 HG2 PRO 12 1HG PRO 12 -10.131 -3.184 -6.747 61 HG3 PRO 12 2HG PRO 12 -11.710 -3.961 -6.524 62 HD2 PRO 12 1HD PRO 12 -9.434 -4.950 -5.441 63 HD3 PRO 12 2HD PRO 12 -10.773 -5.991 -5.964 64 H TYR 13 H TYR 13 -8.353 -3.321 -7.400 65 HA TYR 13 HA TYR 13 -6.734 -2.493 -9.711 66 HB2 TYR 13 1HB TYR 13 -7.153 -0.874 -7.206 67 HB3 TYR 13 2HB TYR 13 -6.645 -0.316 -8.796 68 HD1 TYR 13 HD1 TYR 13 -8.282 -0.049 -10.602 69 HD2 TYR 13 HD2 TYR 13 -9.482 -1.221 -6.692 70 HE1 TYR 13 HE1 TYR 13 -10.614 0.500 -11.159 71 HE2 TYR 13 HE2 TYR 13 -11.817 -0.677 -7.239 72 HH TYR 13 HH TYR 13 -12.860 1.142 -9.245 73 H LYS 14 H LYS 14 -4.525 -2.218 -9.533 74 HA LYS 14 HA LYS 14 -3.211 -2.809 -7.005 75 HB2 LYS 14 1HB LYS 14 -2.676 -4.441 -9.495 76 HB3 LYS 14 2HB LYS 14 -1.800 -4.566 -7.975 77 HG2 LYS 14 1HG LYS 14 -3.236 -6.310 -7.736 78 HG3 LYS 14 2HG LYS 14 -4.215 -5.027 -7.019 79 HD2 LYS 14 1HD LYS 14 -5.718 -6.034 -8.459 80 HD3 LYS 14 2HD LYS 14 -5.096 -4.711 -9.448 81 HE2 LYS 14 1HE LYS 14 -3.709 -7.343 -9.554 82 HE3 LYS 14 2HE LYS 14 -5.258 -7.176 -10.380 83 HZ1 LYS 14 3HZ LYS 14 -4.029 -4.991 -11.236 84 HZ2 LYS 14 1HZ LYS 14 -3.931 -6.475 -12.042 85 HZ3 LYS 14 2HZ LYS 14 -2.680 -5.987 -11.012 86 H CYS 15 H CYS 15 -1.157 -1.958 -6.841 87 HA CYS 15 HA CYS 15 -0.525 0.197 -8.572 88 HB2 CYS 15 1HB CYS 15 0.045 0.057 -6.123 89 HB3 CYS 15 2HB CYS 15 1.302 -1.101 -6.545 90 H VAL 16 H VAL 16 1.490 0.478 -9.756 91 HA VAL 16 HA VAL 16 2.291 -2.018 -11.088 92 HB VAL 16 HB VAL 16 1.288 -0.276 -12.533 93 HG11 VAL 16 1HG1 VAL 16 2.311 1.609 -11.128 94 HG12 VAL 16 2HG1 VAL 16 3.764 1.363 -12.099 95 HG13 VAL 16 3HG1 VAL 16 2.250 1.825 -12.877 96 HG21 VAL 16 3HG2 VAL 16 3.067 -0.288 -14.250 97 HG22 VAL 16 1HG2 VAL 16 4.202 -0.875 -13.034 98 HG23 VAL 16 2HG2 VAL 16 2.824 -1.869 -13.508 99 H GLU 17 H GLU 17 3.415 0.521 -9.084 100 HA GLU 17 HA GLU 17 6.197 0.277 -9.762 101 HB2 GLU 17 1HB GLU 17 4.786 1.615 -7.450 102 HB3 GLU 17 2HB GLU 17 6.526 1.670 -7.697 103 HG2 GLU 17 1HG GLU 17 4.766 2.519 -9.930 104 HG3 GLU 17 2HG GLU 17 4.940 3.593 -8.543 105 H CYS 18 H CYS 18 4.157 -0.767 -7.047 106 HA CYS 18 HA CYS 18 6.301 -2.631 -6.261 107 HB2 CYS 18 1HB CYS 18 5.310 -2.584 -3.994 108 HB3 CYS 18 2HB CYS 18 5.857 -0.995 -4.517 109 H GLY 19 H GLY 19 2.815 -2.237 -6.694 110 HA2 GLY 19 1HA GLY 19 1.585 -4.016 -7.791 111 HA3 GLY 19 2HA GLY 19 2.621 -5.169 -6.963 112 H LYS 20 H LYS 20 1.512 -2.473 -5.142 113 HA LYS 20 HA LYS 20 0.310 -4.019 -3.157 114 HB2 LYS 20 1HB LYS 20 1.068 -1.475 -3.254 115 HB3 LYS 20 2HB LYS 20 -0.639 -1.225 -3.595 116 HG2 LYS 20 1HG LYS 20 -0.692 -1.049 -1.337 117 HG3 LYS 20 2HG LYS 20 -0.913 -2.794 -1.481 118 HD2 LYS 20 1HD LYS 20 1.849 -1.672 -1.296 119 HD3 LYS 20 2HD LYS 20 0.870 -1.814 0.167 120 HE2 LYS 20 1HE LYS 20 0.500 -4.224 -0.441 121 HE3 LYS 20 2HE LYS 20 1.696 -4.015 -1.719 122 HZ1 LYS 20 3HZ LYS 20 2.181 -4.663 0.913 123 HZ2 LYS 20 1HZ LYS 20 2.690 -3.057 0.761 124 HZ3 LYS 20 2HZ LYS 20 3.328 -4.247 -0.257 125 H GLY 21 H GLY 21 -1.968 -4.014 -2.478 126 HA2 GLY 21 1HA GLY 21 -3.783 -4.019 -4.812 127 HA3 GLY 21 2HA GLY 21 -3.849 -5.242 -3.551 128 H TYR 22 H TYR 22 -5.284 -2.501 -4.668 129 HA TYR 22 HA TYR 22 -6.317 -1.807 -1.996 130 HB2 TYR 22 1HB TYR 22 -5.847 -0.078 -4.420 131 HB3 TYR 22 2HB TYR 22 -6.901 0.425 -3.103 132 HD1 TYR 22 HD2 TYR 22 -3.424 -0.350 -4.038 133 HD2 TYR 22 HD1 TYR 22 -6.000 1.153 -1.004 134 HE1 TYR 22 HE2 TYR 22 -1.471 0.502 -2.810 135 HE2 TYR 22 HE1 TYR 22 -4.054 2.010 0.232 136 HH TYR 22 HH TYR 22 -1.783 2.616 -0.101 137 H LYS 23 H LYS 23 -8.382 -2.261 -1.654 138 HA LYS 23 HA LYS 23 -10.064 -3.603 -3.322 139 HB2 LYS 23 1HB LYS 23 -10.488 -1.854 -0.959 140 HB3 LYS 23 2HB LYS 23 -11.908 -2.258 -1.914 141 HG2 LYS 23 1HG LYS 23 -10.095 -4.469 -1.122 142 HG3 LYS 23 2HG LYS 23 -11.117 -3.743 0.121 143 HD2 LYS 23 1HD LYS 23 -12.542 -5.356 -0.640 144 HD3 LYS 23 2HD LYS 23 -12.972 -4.049 -1.746 145 HE2 LYS 23 1HE LYS 23 -11.933 -5.036 -3.532 146 HE3 LYS 23 2HE LYS 23 -10.762 -5.883 -2.521 147 HZ1 LYS 23 3HZ LYS 23 -13.639 -6.593 -2.596 148 HZ2 LYS 23 1HZ LYS 23 -12.368 -7.488 -1.927 149 HZ3 LYS 23 2HZ LYS 23 -12.487 -7.312 -3.605 150 H ARG 24 H ARG 24 -9.699 -0.100 -3.063 151 HA ARG 24 HA ARG 24 -11.339 0.170 -5.497 152 HB2 ARG 24 1HB ARG 24 -11.890 2.471 -4.681 153 HB3 ARG 24 2HB ARG 24 -12.544 1.176 -3.686 154 HG2 ARG 24 1HG ARG 24 -10.825 1.506 -2.036 155 HG3 ARG 24 2HG ARG 24 -10.026 2.700 -3.060 156 HD2 ARG 24 1HD ARG 24 -11.194 4.108 -1.703 157 HD3 ARG 24 2HD ARG 24 -12.411 3.845 -2.952 158 HE ARG 24 HE ARG 24 -12.525 2.005 -0.726 159 HH11 ARG 24 1HH1 ARG 24 -13.639 5.018 -2.068 160 HH12 ARG 24 2HH1 ARG 24 -15.077 5.067 -1.103 161 HH21 ARG 24 1HH2 ARG 24 -14.414 2.058 0.551 162 HH22 ARG 24 2HH2 ARG 24 -15.516 3.383 0.388 163 H ARG 25 H ARG 25 -10.758 1.970 -6.902 164 HA ARG 25 HA ARG 25 -7.941 2.091 -7.326 165 HB2 ARG 25 1HB ARG 25 -9.758 2.146 -9.106 166 HB3 ARG 25 2HB ARG 25 -10.018 3.826 -8.655 167 HG2 ARG 25 1HG ARG 25 -7.881 4.466 -9.398 168 HG3 ARG 25 2HG ARG 25 -7.330 2.792 -9.497 169 HD2 ARG 25 1HD ARG 25 -9.667 3.629 -11.141 170 HD3 ARG 25 2HD ARG 25 -8.055 4.132 -11.649 171 HE ARG 25 HE ARG 25 -9.175 1.522 -11.855 172 HH11 ARG 25 1HH1 ARG 25 -6.194 3.249 -11.351 173 HH12 ARG 25 2HH1 ARG 25 -5.200 1.979 -11.983 174 HH21 ARG 25 1HH2 ARG 25 -7.876 -0.157 -12.690 175 HH22 ARG 25 2HH2 ARG 25 -6.158 0.042 -12.745 176 H LEU 26 H LEU 26 -10.371 4.542 -6.448 177 HA LEU 26 HA LEU 26 -8.913 6.804 -6.274 178 HB2 LEU 26 1HB LEU 26 -11.360 6.193 -5.496 179 HB3 LEU 26 2HB LEU 26 -10.597 6.152 -3.908 180 HG LEU 26 HG LEU 26 -11.736 8.313 -4.556 181 HD11 LEU 26 1HD1 LEU 26 -9.909 7.975 -2.804 182 HD12 LEU 26 2HD1 LEU 26 -10.185 9.616 -3.386 183 HD13 LEU 26 3HD1 LEU 26 -8.813 8.687 -3.989 184 HD21 LEU 26 3HD2 LEU 26 -10.418 8.042 -6.906 185 HD22 LEU 26 1HD2 LEU 26 -9.350 9.155 -6.051 186 HD23 LEU 26 2HD2 LEU 26 -11.048 9.570 -6.288 187 H ASP 27 H ASP 27 -8.957 4.223 -3.843 188 HA ASP 27 HA ASP 27 -7.241 5.476 -1.994 189 HB2 ASP 27 1HB ASP 27 -8.118 2.659 -2.487 190 HB3 ASP 27 2HB ASP 27 -6.779 2.952 -1.381 191 H LEU 28 H LEU 28 -6.564 3.076 -4.534 192 HA LEU 28 HA LEU 28 -3.806 2.890 -4.115 193 HB2 LEU 28 1HB LEU 28 -4.770 1.240 -5.459 194 HB3 LEU 28 2HB LEU 28 -5.564 2.423 -6.496 195 HG LEU 28 HG LEU 28 -3.017 3.022 -7.048 196 HD11 LEU 28 1HD1 LEU 28 -2.990 0.308 -5.873 197 HD12 LEU 28 2HD1 LEU 28 -1.725 1.536 -5.931 198 HD13 LEU 28 3HD1 LEU 28 -2.065 0.552 -7.354 199 HD21 LEU 28 3HD2 LEU 28 -5.058 1.289 -8.230 200 HD22 LEU 28 1HD2 LEU 28 -3.418 0.962 -8.791 201 HD23 LEU 28 2HD2 LEU 28 -4.101 2.580 -8.958 202 H ASP 29 H ASP 29 -5.601 4.896 -6.447 203 HA ASP 29 HA ASP 29 -3.590 6.181 -7.742 204 HB2 ASP 29 1HB ASP 29 -6.116 6.521 -7.972 205 HB3 ASP 29 2HB ASP 29 -5.962 7.709 -6.680 206 H PHE 30 H PHE 30 -4.718 6.816 -4.467 207 HA PHE 30 HA PHE 30 -3.011 9.101 -4.107 208 HB2 PHE 30 1HB PHE 30 -5.270 8.342 -2.877 209 HB3 PHE 30 2HB PHE 30 -4.103 7.657 -1.750 210 HD1 PHE 30 HD1 PHE 30 -2.099 9.368 -1.192 211 HD2 PHE 30 HD2 PHE 30 -6.036 10.442 -2.404 212 HE1 PHE 30 HE1 PHE 30 -1.817 11.575 -0.141 213 HE2 PHE 30 HE2 PHE 30 -5.760 12.651 -1.356 214 HZ PHE 30 HZ PHE 30 -3.648 13.220 -0.224 215 H HIS 31 H HIS 31 -2.778 5.675 -3.623 216 HA HIS 31 HA HIS 31 -0.648 5.656 -1.762 217 HB2 HIS 31 1HB HIS 31 -1.626 3.585 -1.859 218 HB3 HIS 31 2HB HIS 31 -1.902 3.678 -3.596 219 HD1 HIS 31 HD1 HIS 31 0.705 2.739 -1.071 220 HD2 HIS 31 HD2 HIS 31 0.137 2.646 -5.186 221 HE1 HIS 31 HE1 HIS 31 2.569 1.314 -1.975 222 H GLN 32 H GLN 32 -0.695 5.336 -5.306 223 HA GLN 32 HA GLN 32 1.943 4.951 -5.855 224 HB2 GLN 32 1HB GLN 32 -0.100 6.637 -7.287 225 HB3 GLN 32 2HB GLN 32 1.520 6.398 -7.927 226 HG2 GLN 32 1HG GLN 32 1.178 4.061 -8.153 227 HG3 GLN 32 2HG GLN 32 -0.332 4.133 -7.246 228 HE21 GLN 32 1HE2 GLN 32 -1.971 3.772 -8.547 229 HE22 GLN 32 2HE2 GLN 32 -2.171 4.409 -10.140 230 H ARG 33 H ARG 33 0.458 7.834 -4.614 231 HA ARG 33 HA ARG 33 2.136 9.864 -5.235 232 HB2 ARG 33 1HB ARG 33 1.084 9.248 -2.467 233 HB3 ARG 33 2HB ARG 33 1.690 10.810 -3.001 234 HG2 ARG 33 1HG ARG 33 -0.528 9.546 -4.527 235 HG3 ARG 33 2HG ARG 33 -0.879 10.283 -2.962 236 HD2 ARG 33 1HD ARG 33 -0.424 12.394 -3.700 237 HD3 ARG 33 2HD ARG 33 0.757 11.841 -4.887 238 HE ARG 33 HE ARG 33 -0.938 11.590 -6.429 239 HH11 ARG 33 1HH1 ARG 33 -2.274 12.210 -3.275 240 HH12 ARG 33 2HH1 ARG 33 -3.880 12.481 -3.865 241 HH21 ARG 33 1HH2 ARG 33 -3.049 11.944 -7.218 242 HH22 ARG 33 2HH2 ARG 33 -4.320 12.329 -6.108 243 H VAL 34 H VAL 34 2.797 7.238 -2.982 244 HA VAL 34 HA VAL 34 5.185 8.247 -1.891 245 HB VAL 34 HB VAL 34 5.663 5.995 -1.165 246 HG11 VAL 34 1HG1 VAL 34 4.022 6.007 0.354 247 HG12 VAL 34 2HG1 VAL 34 3.400 7.408 -0.520 248 HG13 VAL 34 3HG1 VAL 34 2.768 5.799 -0.869 249 HG21 VAL 34 3HG2 VAL 34 5.228 4.787 -3.212 250 HG22 VAL 34 1HG2 VAL 34 4.265 4.095 -1.906 251 HG23 VAL 34 2HG2 VAL 34 3.506 5.149 -3.098 252 H HIS 35 H HIS 35 4.561 6.236 -4.735 253 HA HIS 35 HA HIS 35 7.307 5.828 -5.371 254 HB2 HIS 35 1HB HIS 35 4.811 5.566 -7.058 255 HB3 HIS 35 2HB HIS 35 6.417 5.064 -7.579 256 HD1 HIS 35 HD1 HIS 35 7.551 3.219 -5.844 257 HD2 HIS 35 HD2 HIS 35 3.412 3.580 -5.877 258 HE1 HIS 35 HE1 HIS 35 6.683 1.097 -4.811 259 H THR 36 H THR 36 4.869 8.174 -6.351 260 HA THR 36 HA THR 36 6.433 9.396 -8.388 261 HB THR 36 HB THR 36 4.798 11.235 -8.287 262 HG1 THR 36 HG1 THR 36 3.912 11.550 -6.393 263 HG21 THR 36 3HG2 THR 36 3.524 9.940 -9.574 264 HG22 THR 36 1HG2 THR 36 2.809 9.205 -8.140 265 HG23 THR 36 2HG2 THR 36 4.259 8.506 -8.859 266 H GLY 37 H GLY 37 8.334 10.323 -7.946 267 HA2 GLY 37 1HA GLY 37 8.517 12.015 -5.530 268 HA3 GLY 37 2HA GLY 37 9.878 11.154 -6.234 269 H GLU 38 H GLU 38 7.366 13.336 -7.521 270 HA GLU 38 HA GLU 38 9.523 14.876 -8.805 271 HB2 GLU 38 1HB GLU 38 6.629 14.535 -9.605 272 HB3 GLU 38 2HB GLU 38 7.747 15.643 -10.390 273 HG2 GLU 38 1HG GLU 38 7.943 12.643 -10.290 274 HG3 GLU 38 2HG GLU 38 7.565 13.641 -11.693 275 H LYS 39 H LYS 39 9.728 15.957 -6.682 276 HA LYS 39 HA LYS 39 7.924 18.263 -6.571 277 HB2 LYS 39 1HB LYS 39 8.654 16.466 -4.263 278 HB3 LYS 39 2HB LYS 39 8.084 18.113 -4.026 279 HG2 LYS 39 1HG LYS 39 6.524 16.084 -5.595 280 HG3 LYS 39 2HG LYS 39 6.363 16.266 -3.846 281 HD2 LYS 39 1HD LYS 39 6.063 18.602 -5.710 282 HD3 LYS 39 2HD LYS 39 4.708 17.533 -5.340 283 HE2 LYS 39 1HE LYS 39 5.491 18.004 -2.856 284 HE3 LYS 39 2HE LYS 39 6.146 19.465 -3.595 285 HZ1 LYS 39 3HZ LYS 39 4.073 20.242 -4.117 286 HZ2 LYS 39 1HZ LYS 39 3.728 19.425 -2.676 287 HZ3 LYS 39 2HZ LYS 39 3.368 18.705 -4.163 288 H LEU 40 H LEU 40 8.841 20.117 -5.472 289 HA LEU 40 HA LEU 40 11.349 20.836 -6.271 290 HB2 LEU 40 1HB LEU 40 11.272 22.613 -4.620 291 HB3 LEU 40 2HB LEU 40 9.705 22.407 -5.399 292 HG LEU 40 HG LEU 40 9.260 20.917 -3.243 293 HD11 LEU 40 1HD1 LEU 40 11.660 21.429 -2.502 294 HD12 LEU 40 2HD1 LEU 40 10.370 21.605 -1.313 295 HD13 LEU 40 3HD1 LEU 40 11.048 23.032 -2.096 296 HD21 LEU 40 3HD2 LEU 40 8.474 23.391 -4.161 297 HD22 LEU 40 1HD2 LEU 40 9.042 23.728 -2.525 298 HD23 LEU 40 2HD2 LEU 40 7.780 22.524 -2.790 299 H SER 41 H SER 41 10.454 19.236 -3.253 300 HA SER 41 HA SER 41 12.599 19.348 -1.674 301 HB2 SER 41 1HB SER 41 12.224 16.980 -1.042 302 HB3 SER 41 2HB SER 41 10.714 17.881 -1.180 303 HG SER 41 HG SER 41 10.166 16.319 -2.475 304 H GLY 42 H GLY 42 14.651 18.456 -1.479 305 HA2 GLY 42 1HA GLY 42 15.706 16.779 -3.599 306 HA3 GLY 42 2HA GLY 42 16.364 18.408 -3.547 307 HA PRO 43 HA PRO 43 19.262 17.300 -0.458 308 HB2 PRO 43 1HB PRO 43 19.163 19.357 1.312 309 HB3 PRO 43 2HB PRO 43 19.862 19.513 -0.304 310 HG2 PRO 43 1HG PRO 43 17.148 20.316 0.672 311 HG3 PRO 43 2HG PRO 43 18.262 21.198 -0.390 312 HD2 PRO 43 1HD PRO 43 16.141 19.806 -1.337 313 HD3 PRO 43 2HD PRO 43 17.654 19.979 -2.249 314 H SER 44 H SER 44 19.606 16.975 1.941 315 HA SER 44 HA SER 44 19.005 16.056 3.936 316 HB2 SER 44 1HB SER 44 17.468 18.089 3.990 317 HB3 SER 44 2HB SER 44 16.188 17.016 3.424 318 HG SER 44 HG SER 44 16.582 15.727 5.293 319 H SER 45 H SER 45 18.964 14.499 1.570 320 HA SER 45 HA SER 45 16.861 12.545 2.239 321 HB2 SER 45 1HB SER 45 16.492 13.581 0.022 322 HB3 SER 45 2HB SER 45 18.092 13.039 -0.484 323 HG SER 45 HG SER 45 17.049 10.880 0.341 324 H GLY 46 H GLY 46 20.098 12.878 0.785 325 HA2 GLY 46 1HA GLY 46 21.973 11.654 1.664 326 HA3 GLY 46 2HA GLY 46 20.859 10.390 2.164 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 9.924 -25.222 9.093 2 HA2 GLY 1 1HA GLY 1 9.450 -27.553 7.390 3 HA3 GLY 1 2HA GLY 1 9.038 -27.704 9.092 4 H SER 2 H SER 2 8.408 -25.749 6.203 5 HA SER 2 HA SER 2 5.782 -25.051 7.334 6 HB2 SER 2 1HB SER 2 7.564 -23.286 6.482 7 HB3 SER 2 2HB SER 2 6.869 -23.680 4.910 8 HG SER 2 HG SER 2 4.846 -23.337 6.544 9 H SER 3 H SER 3 4.019 -24.814 5.676 10 HA SER 3 HA SER 3 4.171 -27.059 3.777 11 HB2 SER 3 1HB SER 3 2.493 -27.140 5.709 12 HB3 SER 3 2HB SER 3 1.625 -25.858 4.864 13 HG SER 3 HG SER 3 0.782 -27.384 3.710 14 H GLY 4 H GLY 4 5.214 -24.612 2.987 15 HA2 GLY 4 1HA GLY 4 5.152 -23.427 0.988 16 HA3 GLY 4 2HA GLY 4 3.545 -24.071 0.687 17 H SER 5 H SER 5 3.542 -21.658 -0.042 18 HA SER 5 HA SER 5 2.608 -20.032 2.232 19 HB2 SER 5 1HB SER 5 3.387 -18.065 1.145 20 HB3 SER 5 2HB SER 5 4.698 -19.236 1.009 21 HG SER 5 HG SER 5 2.916 -18.321 -0.966 22 H SER 6 H SER 6 0.494 -19.713 2.250 23 HA SER 6 HA SER 6 -0.924 -19.425 -0.308 24 HB2 SER 6 1HB SER 6 -1.182 -21.736 0.840 25 HB3 SER 6 2HB SER 6 -2.188 -20.876 2.005 26 HG SER 6 HG SER 6 -2.742 -21.626 -0.561 27 H GLY 7 H GLY 7 -0.054 -17.290 1.195 28 HA2 GLY 7 1HA GLY 7 -2.582 -16.294 2.360 29 HA3 GLY 7 2HA GLY 7 -1.009 -15.884 3.029 30 H SER 8 H SER 8 -3.281 -15.307 0.457 31 HA SER 8 HA SER 8 -2.356 -12.669 0.037 32 HB2 SER 8 1HB SER 8 -0.586 -14.101 -1.159 33 HB3 SER 8 2HB SER 8 -1.849 -14.456 -2.338 34 HG SER 8 HG SER 8 -1.221 -12.650 -3.209 35 H GLY 9 H GLY 9 -4.245 -11.693 -0.245 36 HA2 GLY 9 1HA GLY 9 -6.527 -13.056 -1.324 37 HA3 GLY 9 2HA GLY 9 -6.457 -11.373 -0.823 38 H GLU 10 H GLU 10 -7.909 -11.480 -2.878 39 HA GLU 10 HA GLU 10 -6.185 -10.785 -5.158 40 HB2 GLU 10 1HB GLU 10 -7.415 -13.046 -5.326 41 HB3 GLU 10 2HB GLU 10 -8.873 -12.083 -5.523 42 HG2 GLU 10 1HG GLU 10 -7.396 -10.905 -7.377 43 HG3 GLU 10 2HG GLU 10 -6.586 -12.470 -7.366 44 H LYS 11 H LYS 11 -6.395 -8.677 -5.481 45 HA LYS 11 HA LYS 11 -9.042 -7.444 -5.094 46 HB2 LYS 11 1HB LYS 11 -6.252 -6.376 -4.770 47 HB3 LYS 11 2HB LYS 11 -7.609 -5.286 -5.023 48 HG2 LYS 11 1HG LYS 11 -8.480 -5.663 -2.962 49 HG3 LYS 11 2HG LYS 11 -7.882 -7.322 -2.890 50 HD2 LYS 11 1HD LYS 11 -5.997 -4.990 -2.804 51 HD3 LYS 11 2HD LYS 11 -6.813 -5.557 -1.344 52 HE2 LYS 11 1HE LYS 11 -5.916 -7.860 -1.912 53 HE3 LYS 11 2HE LYS 11 -4.901 -7.063 -3.113 54 HZ1 LYS 11 3HZ LYS 11 -4.033 -7.492 -0.705 55 HZ2 LYS 11 1HZ LYS 11 -4.869 -6.062 -0.357 56 HZ3 LYS 11 2HZ LYS 11 -3.637 -6.061 -1.516 57 HA PRO 12 HA PRO 12 -9.309 -6.429 -9.357 58 HB2 PRO 12 1HB PRO 12 -10.613 -4.051 -9.255 59 HB3 PRO 12 2HB PRO 12 -11.401 -5.594 -8.906 60 HG2 PRO 12 1HG PRO 12 -10.319 -3.548 -7.008 61 HG3 PRO 12 2HG PRO 12 -11.838 -4.459 -6.924 62 HD2 PRO 12 1HD PRO 12 -9.650 -5.140 -5.482 63 HD3 PRO 12 2HD PRO 12 -10.809 -6.342 -6.084 64 H TYR 13 H TYR 13 -8.455 -3.561 -7.408 65 HA TYR 13 HA TYR 13 -6.815 -2.554 -9.595 66 HB2 TYR 13 1HB TYR 13 -7.262 -1.273 -6.899 67 HB3 TYR 13 2HB TYR 13 -6.698 -0.500 -8.376 68 HD1 TYR 13 HD1 TYR 13 -8.287 -0.140 -10.260 69 HD2 TYR 13 HD2 TYR 13 -9.584 -1.558 -6.464 70 HE1 TYR 13 HE1 TYR 13 -10.601 0.466 -10.831 71 HE2 TYR 13 HE2 TYR 13 -11.902 -0.958 -7.025 72 HH TYR 13 HH TYR 13 -13.203 0.209 -8.472 73 H LYS 14 H LYS 14 -4.622 -2.368 -9.555 74 HA LYS 14 HA LYS 14 -3.168 -3.135 -7.140 75 HB2 LYS 14 1HB LYS 14 -2.731 -4.467 -9.820 76 HB3 LYS 14 2HB LYS 14 -1.755 -4.720 -8.380 77 HG2 LYS 14 1HG LYS 14 -3.111 -6.523 -8.203 78 HG3 LYS 14 2HG LYS 14 -4.119 -5.349 -7.353 79 HD2 LYS 14 1HD LYS 14 -5.641 -5.226 -9.046 80 HD3 LYS 14 2HD LYS 14 -4.438 -5.549 -10.297 81 HE2 LYS 14 1HE LYS 14 -5.174 -7.695 -8.354 82 HE3 LYS 14 2HE LYS 14 -6.243 -7.343 -9.711 83 HZ1 LYS 14 3HZ LYS 14 -4.357 -9.100 -9.941 84 HZ2 LYS 14 1HZ LYS 14 -3.381 -7.748 -10.222 85 HZ3 LYS 14 2HZ LYS 14 -4.705 -8.058 -11.227 86 H CYS 15 H CYS 15 -1.150 -2.221 -6.959 87 HA CYS 15 HA CYS 15 -0.649 0.099 -8.531 88 HB2 CYS 15 1HB CYS 15 -0.063 -0.199 -6.090 89 HB3 CYS 15 2HB CYS 15 1.264 -1.233 -6.610 90 H VAL 16 H VAL 16 1.280 0.550 -9.756 91 HA VAL 16 HA VAL 16 2.230 -1.823 -11.207 92 HB VAL 16 HB VAL 16 1.086 -0.065 -12.540 93 HG11 VAL 16 1HG1 VAL 16 2.075 2.075 -12.897 94 HG12 VAL 16 2HG1 VAL 16 1.939 1.840 -11.154 95 HG13 VAL 16 3HG1 VAL 16 3.499 1.639 -11.952 96 HG21 VAL 16 3HG2 VAL 16 4.007 -0.505 -13.150 97 HG22 VAL 16 1HG2 VAL 16 2.663 -1.546 -13.621 98 HG23 VAL 16 2HG2 VAL 16 2.807 0.073 -14.306 99 H GLU 17 H GLU 17 3.207 0.562 -9.003 100 HA GLU 17 HA GLU 17 5.993 0.590 -9.759 101 HB2 GLU 17 1HB GLU 17 4.569 1.663 -7.319 102 HB3 GLU 17 2HB GLU 17 6.278 1.897 -7.656 103 HG2 GLU 17 1HG GLU 17 3.959 2.915 -9.277 104 HG3 GLU 17 2HG GLU 17 5.067 3.865 -8.288 105 H CYS 18 H CYS 18 4.035 -0.821 -7.162 106 HA CYS 18 HA CYS 18 6.303 -2.595 -6.534 107 HB2 CYS 18 1HB CYS 18 5.359 -2.728 -4.222 108 HB3 CYS 18 2HB CYS 18 5.942 -1.125 -4.661 109 H GLY 19 H GLY 19 2.805 -2.294 -6.857 110 HA2 GLY 19 1HA GLY 19 1.635 -4.093 -8.014 111 HA3 GLY 19 2HA GLY 19 2.681 -5.227 -7.173 112 H LYS 20 H LYS 20 1.735 -2.710 -5.154 113 HA LYS 20 HA LYS 20 0.386 -4.314 -3.337 114 HB2 LYS 20 1HB LYS 20 1.319 -1.820 -3.227 115 HB3 LYS 20 2HB LYS 20 -0.374 -1.439 -3.508 116 HG2 LYS 20 1HG LYS 20 -0.445 -1.490 -1.258 117 HG3 LYS 20 2HG LYS 20 -0.657 -3.220 -1.534 118 HD2 LYS 20 1HD LYS 20 2.122 -2.196 -1.366 119 HD3 LYS 20 2HD LYS 20 1.185 -2.249 0.129 120 HE2 LYS 20 1HE LYS 20 1.521 -4.590 -1.739 121 HE3 LYS 20 2HE LYS 20 2.541 -4.301 -0.330 122 HZ1 LYS 20 3HZ LYS 20 -0.292 -5.076 -0.440 123 HZ2 LYS 20 1HZ LYS 20 0.277 -4.212 0.898 124 HZ3 LYS 20 2HZ LYS 20 0.957 -5.711 0.508 125 H GLY 21 H GLY 21 -1.904 -4.121 -2.635 126 HA2 GLY 21 1HA GLY 21 -3.693 -3.843 -4.971 127 HA3 GLY 21 2HA GLY 21 -3.868 -5.133 -3.791 128 H TYR 22 H TYR 22 -5.565 -2.749 -4.723 129 HA TYR 22 HA TYR 22 -6.305 -1.885 -2.012 130 HB2 TYR 22 1HB TYR 22 -5.981 -0.171 -4.470 131 HB3 TYR 22 2HB TYR 22 -6.961 0.338 -3.099 132 HD1 TYR 22 HD2 TYR 22 -3.526 -0.592 -4.126 133 HD2 TYR 22 HD1 TYR 22 -5.961 1.242 -1.157 134 HE1 TYR 22 HE2 TYR 22 -1.509 0.274 -3.015 135 HE2 TYR 22 HE1 TYR 22 -3.951 2.114 -0.039 136 HH TYR 22 HH TYR 22 -1.740 2.267 -0.081 137 H LYS 23 H LYS 23 -8.473 -1.743 -1.593 138 HA LYS 23 HA LYS 23 -10.236 -3.311 -3.099 139 HB2 LYS 23 1HB LYS 23 -10.630 -2.951 -0.751 140 HB3 LYS 23 2HB LYS 23 -10.771 -1.215 -0.992 141 HG2 LYS 23 1HG LYS 23 -12.964 -2.014 -0.718 142 HG3 LYS 23 2HG LYS 23 -12.777 -1.705 -2.446 143 HD2 LYS 23 1HD LYS 23 -13.841 -3.787 -2.344 144 HD3 LYS 23 2HD LYS 23 -12.144 -4.183 -2.626 145 HE2 LYS 23 1HE LYS 23 -11.897 -4.484 -0.153 146 HE3 LYS 23 2HE LYS 23 -13.644 -4.293 -0.014 147 HZ1 LYS 23 3HZ LYS 23 -12.199 -6.428 -1.485 148 HZ2 LYS 23 1HZ LYS 23 -13.876 -6.204 -1.543 149 HZ3 LYS 23 2HZ LYS 23 -13.126 -6.608 -0.081 150 H ARG 24 H ARG 24 -9.799 0.198 -2.964 151 HA ARG 24 HA ARG 24 -11.523 0.422 -5.344 152 HB2 ARG 24 1HB ARG 24 -12.625 1.538 -3.543 153 HB3 ARG 24 2HB ARG 24 -11.139 2.338 -3.047 154 HG2 ARG 24 1HG ARG 24 -11.159 3.721 -5.005 155 HG3 ARG 24 2HG ARG 24 -12.533 2.833 -5.667 156 HD2 ARG 24 1HD ARG 24 -12.570 4.419 -3.102 157 HD3 ARG 24 2HD ARG 24 -13.165 5.002 -4.656 158 HE ARG 24 HE ARG 24 -14.393 2.542 -3.951 159 HH11 ARG 24 1HH1 ARG 24 -14.422 5.951 -3.244 160 HH12 ARG 24 2HH1 ARG 24 -16.080 5.965 -2.741 161 HH21 ARG 24 1HH2 ARG 24 -16.577 2.548 -3.292 162 HH22 ARG 24 2HH2 ARG 24 -17.305 4.029 -2.768 163 H ARG 25 H ARG 25 -10.936 2.051 -6.895 164 HA ARG 25 HA ARG 25 -8.168 2.079 -7.474 165 HB2 ARG 25 1HB ARG 25 -10.106 2.229 -9.121 166 HB3 ARG 25 2HB ARG 25 -10.224 3.927 -8.678 167 HG2 ARG 25 1HG ARG 25 -8.070 4.395 -9.545 168 HG3 ARG 25 2HG ARG 25 -7.702 2.679 -9.731 169 HD2 ARG 25 1HD ARG 25 -10.046 3.865 -11.155 170 HD3 ARG 25 2HD ARG 25 -8.421 4.096 -11.799 171 HE ARG 25 HE ARG 25 -8.970 1.358 -11.202 172 HH11 ARG 25 1HH1 ARG 25 -9.454 3.875 -13.559 173 HH12 ARG 25 2HH1 ARG 25 -9.633 2.776 -14.886 174 HH21 ARG 25 1HH2 ARG 25 -9.204 -0.098 -12.942 175 HH22 ARG 25 2HH2 ARG 25 -9.492 0.517 -14.534 176 H LEU 26 H LEU 26 -10.364 4.777 -6.671 177 HA LEU 26 HA LEU 26 -8.693 6.879 -6.548 178 HB2 LEU 26 1HB LEU 26 -11.180 6.605 -5.811 179 HB3 LEU 26 2HB LEU 26 -10.486 6.430 -4.201 180 HG LEU 26 HG LEU 26 -11.318 8.738 -4.860 181 HD11 LEU 26 1HD1 LEU 26 -9.258 7.910 -3.230 182 HD12 LEU 26 2HD1 LEU 26 -9.995 9.512 -3.244 183 HD13 LEU 26 3HD1 LEU 26 -8.532 9.207 -4.180 184 HD21 LEU 26 3HD2 LEU 26 -8.708 9.039 -6.284 185 HD22 LEU 26 1HD2 LEU 26 -10.154 10.047 -6.361 186 HD23 LEU 26 2HD2 LEU 26 -10.132 8.475 -7.161 187 H ASP 27 H ASP 27 -9.033 4.446 -3.985 188 HA ASP 27 HA ASP 27 -7.280 5.543 -2.127 189 HB2 ASP 27 1HB ASP 27 -8.086 2.711 -2.738 190 HB3 ASP 27 2HB ASP 27 -6.917 3.067 -1.469 191 H LEU 28 H LEU 28 -6.535 2.982 -4.500 192 HA LEU 28 HA LEU 28 -3.788 2.897 -4.054 193 HB2 LEU 28 1HB LEU 28 -4.696 1.135 -5.285 194 HB3 LEU 28 2HB LEU 28 -5.506 2.220 -6.413 195 HG LEU 28 HG LEU 28 -2.977 2.837 -7.000 196 HD11 LEU 28 1HD1 LEU 28 -2.163 1.213 -5.264 197 HD12 LEU 28 2HD1 LEU 28 -1.512 0.976 -6.886 198 HD13 LEU 28 3HD1 LEU 28 -2.791 -0.080 -6.286 199 HD21 LEU 28 3HD2 LEU 28 -4.138 2.213 -8.834 200 HD22 LEU 28 1HD2 LEU 28 -4.898 0.843 -8.023 201 HD23 LEU 28 2HD2 LEU 28 -3.242 0.709 -8.616 202 H ASP 29 H ASP 29 -5.671 4.897 -6.281 203 HA ASP 29 HA ASP 29 -3.633 6.060 -7.742 204 HB2 ASP 29 1HB ASP 29 -6.377 6.886 -6.954 205 HB3 ASP 29 2HB ASP 29 -5.313 8.144 -7.577 206 H PHE 30 H PHE 30 -4.690 6.737 -4.475 207 HA PHE 30 HA PHE 30 -3.040 9.101 -4.243 208 HB2 PHE 30 1HB PHE 30 -5.309 8.441 -3.005 209 HB3 PHE 30 2HB PHE 30 -4.179 7.766 -1.837 210 HD1 PHE 30 HD1 PHE 30 -2.259 9.366 -1.080 211 HD2 PHE 30 HD2 PHE 30 -5.917 10.653 -2.836 212 HE1 PHE 30 HE1 PHE 30 -1.941 11.600 -0.097 213 HE2 PHE 30 HE2 PHE 30 -5.604 12.889 -1.857 214 HZ PHE 30 HZ PHE 30 -3.614 13.365 -0.486 215 H HIS 31 H HIS 31 -2.676 5.733 -3.828 216 HA HIS 31 HA HIS 31 -0.624 5.778 -1.847 217 HB2 HIS 31 1HB HIS 31 -1.579 3.691 -1.935 218 HB3 HIS 31 2HB HIS 31 -1.786 3.741 -3.683 219 HD1 HIS 31 HD1 HIS 31 0.921 3.190 -1.093 220 HD2 HIS 31 HD2 HIS 31 0.147 2.433 -5.105 221 HE1 HIS 31 HE1 HIS 31 2.800 1.712 -1.873 222 H GLN 32 H GLN 32 -0.608 5.449 -5.387 223 HA GLN 32 HA GLN 32 2.021 5.062 -5.926 224 HB2 GLN 32 1HB GLN 32 0.056 6.870 -7.328 225 HB3 GLN 32 2HB GLN 32 1.658 6.528 -7.970 226 HG2 GLN 32 1HG GLN 32 1.154 4.331 -8.432 227 HG3 GLN 32 2HG GLN 32 -0.154 4.272 -7.251 228 HE21 GLN 32 1HE2 GLN 32 -1.737 3.560 -8.591 229 HE22 GLN 32 2HE2 GLN 32 -2.358 4.472 -9.919 230 H ARG 33 H ARG 33 0.621 7.850 -4.468 231 HA ARG 33 HA ARG 33 2.374 9.880 -5.064 232 HB2 ARG 33 1HB ARG 33 1.157 9.261 -2.365 233 HB3 ARG 33 2HB ARG 33 1.849 10.807 -2.838 234 HG2 ARG 33 1HG ARG 33 -0.309 9.684 -4.534 235 HG3 ARG 33 2HG ARG 33 -0.747 10.332 -2.952 236 HD2 ARG 33 1HD ARG 33 -0.964 12.169 -4.359 237 HD3 ARG 33 2HD ARG 33 0.637 12.387 -3.654 238 HE ARG 33 HE ARG 33 1.041 10.982 -5.982 239 HH11 ARG 33 1HH1 ARG 33 -0.353 14.048 -5.099 240 HH12 ARG 33 2HH1 ARG 33 0.061 14.815 -6.596 241 HH21 ARG 33 1HH2 ARG 33 1.592 11.982 -7.957 242 HH22 ARG 33 2HH2 ARG 33 1.167 13.639 -8.222 243 H VAL 34 H VAL 34 2.780 7.292 -2.681 244 HA VAL 34 HA VAL 34 5.200 8.201 -1.573 245 HB VAL 34 HB VAL 34 5.487 5.981 -0.681 246 HG11 VAL 34 1HG1 VAL 34 2.787 7.208 -0.670 247 HG12 VAL 34 2HG1 VAL 34 2.961 5.605 0.049 248 HG13 VAL 34 3HG1 VAL 34 3.923 6.954 0.655 249 HG21 VAL 34 3HG2 VAL 34 3.161 4.935 -2.235 250 HG22 VAL 34 1HG2 VAL 34 4.766 4.947 -2.964 251 HG23 VAL 34 2HG2 VAL 34 4.484 4.057 -1.468 252 H HIS 35 H HIS 35 4.477 6.561 -4.537 253 HA HIS 35 HA HIS 35 7.204 5.706 -4.990 254 HB2 HIS 35 1HB HIS 35 4.708 5.618 -6.685 255 HB3 HIS 35 2HB HIS 35 6.280 5.082 -7.273 256 HD1 HIS 35 HD1 HIS 35 7.405 3.262 -5.368 257 HD2 HIS 35 HD2 HIS 35 3.280 3.521 -5.793 258 HE1 HIS 35 HE1 HIS 35 6.498 1.106 -4.446 259 H THR 36 H THR 36 5.061 8.292 -6.024 260 HA THR 36 HA THR 36 6.802 9.323 -8.034 261 HB THR 36 HB THR 36 5.350 11.310 -8.011 262 HG1 THR 36 HG1 THR 36 3.559 11.295 -6.531 263 HG21 THR 36 3HG2 THR 36 4.712 8.898 -8.951 264 HG22 THR 36 1HG2 THR 36 3.616 10.274 -9.068 265 HG23 THR 36 2HG2 THR 36 3.402 9.082 -7.785 266 H GLY 37 H GLY 37 6.136 10.203 -4.658 267 HA2 GLY 37 1HA GLY 37 7.892 12.434 -4.608 268 HA3 GLY 37 2HA GLY 37 7.248 11.594 -3.205 269 H GLU 38 H GLU 38 9.289 11.856 -2.172 270 HA GLU 38 HA GLU 38 11.424 10.145 -3.259 271 HB2 GLU 38 1HB GLU 38 11.461 12.622 -1.579 272 HB3 GLU 38 2HB GLU 38 12.790 11.477 -1.455 273 HG2 GLU 38 1HG GLU 38 13.028 11.662 -3.956 274 HG3 GLU 38 2HG GLU 38 11.897 13.011 -3.877 275 H LYS 39 H LYS 39 10.541 8.216 -2.421 276 HA LYS 39 HA LYS 39 11.357 7.644 0.266 277 HB2 LYS 39 1HB LYS 39 9.140 8.656 0.670 278 HB3 LYS 39 2HB LYS 39 8.412 7.463 -0.398 279 HG2 LYS 39 1HG LYS 39 8.027 6.727 1.811 280 HG3 LYS 39 2HG LYS 39 9.294 5.692 1.150 281 HD2 LYS 39 1HD LYS 39 10.039 6.234 3.306 282 HD3 LYS 39 2HD LYS 39 10.941 7.315 2.241 283 HE2 LYS 39 1HE LYS 39 9.392 9.122 2.730 284 HE3 LYS 39 2HE LYS 39 8.423 8.045 3.734 285 HZ1 LYS 39 3HZ LYS 39 10.844 9.451 4.370 286 HZ2 LYS 39 1HZ LYS 39 10.906 7.813 4.791 287 HZ3 LYS 39 2HZ LYS 39 9.673 8.797 5.400 288 H LEU 40 H LEU 40 11.763 5.495 0.559 289 HA LEU 40 HA LEU 40 10.797 3.614 -1.475 290 HB2 LEU 40 1HB LEU 40 13.651 4.085 -0.660 291 HB3 LEU 40 2HB LEU 40 13.122 2.580 -1.410 292 HG LEU 40 HG LEU 40 12.226 4.185 -3.281 293 HD11 LEU 40 1HD1 LEU 40 13.940 6.072 -3.522 294 HD12 LEU 40 2HD1 LEU 40 14.216 5.862 -1.794 295 HD13 LEU 40 3HD1 LEU 40 12.614 6.302 -2.383 296 HD21 LEU 40 3HD2 LEU 40 13.771 2.733 -4.080 297 HD22 LEU 40 1HD2 LEU 40 14.912 3.053 -2.774 298 HD23 LEU 40 2HD2 LEU 40 14.764 4.190 -4.113 299 H SER 41 H SER 41 9.601 2.253 -0.307 300 HA SER 41 HA SER 41 10.703 1.263 2.241 301 HB2 SER 41 1HB SER 41 8.364 0.754 2.878 302 HB3 SER 41 2HB SER 41 8.603 2.470 2.550 303 HG SER 41 HG SER 41 7.810 0.866 0.418 304 H GLY 42 H GLY 42 11.657 -0.642 1.905 305 HA2 GLY 42 1HA GLY 42 10.159 -2.904 1.079 306 HA3 GLY 42 2HA GLY 42 11.227 -2.385 -0.216 307 HA PRO 43 HA PRO 43 14.687 -4.386 1.576 308 HB2 PRO 43 1HB PRO 43 16.669 -2.530 1.566 309 HB3 PRO 43 2HB PRO 43 16.057 -3.291 0.092 310 HG2 PRO 43 1HG PRO 43 15.396 -0.613 1.257 311 HG3 PRO 43 2HG PRO 43 15.710 -1.052 -0.432 312 HD2 PRO 43 1HD PRO 43 13.208 -0.707 0.543 313 HD3 PRO 43 2HD PRO 43 13.578 -1.868 -0.748 314 H SER 44 H SER 44 14.842 -4.989 3.636 315 HA SER 44 HA SER 44 15.853 -3.231 5.648 316 HB2 SER 44 1HB SER 44 12.931 -3.875 5.577 317 HB3 SER 44 2HB SER 44 13.740 -3.755 7.139 318 HG SER 44 HG SER 44 12.817 -1.784 5.724 319 H SER 45 H SER 45 16.795 -4.351 7.280 320 HA SER 45 HA SER 45 17.292 -7.089 6.970 321 HB2 SER 45 1HB SER 45 18.433 -6.967 9.111 322 HB3 SER 45 2HB SER 45 18.777 -5.503 8.190 323 HG SER 45 HG SER 45 16.683 -5.646 10.087 324 H GLY 46 H GLY 46 14.830 -5.372 8.751 325 HA2 GLY 46 1HA GLY 46 12.814 -6.221 9.540 326 HA3 GLY 46 2HA GLY 46 13.377 -7.840 9.154 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 12.097 -24.037 2.600 2 HA2 GLY 1 1HA GLY 1 9.821 -23.917 0.951 3 HA3 GLY 1 2HA GLY 1 9.384 -24.734 2.445 4 H SER 2 H SER 2 8.206 -22.342 1.681 5 HA SER 2 HA SER 2 8.961 -20.666 3.932 6 HB2 SER 2 1HB SER 2 10.292 -19.826 1.982 7 HB3 SER 2 2HB SER 2 8.774 -19.489 1.150 8 HG SER 2 HG SER 2 9.222 -17.612 2.128 9 H SER 3 H SER 3 7.256 -19.610 4.822 10 HA SER 3 HA SER 3 4.721 -19.574 3.340 11 HB2 SER 3 1HB SER 3 5.275 -20.836 5.998 12 HB3 SER 3 2HB SER 3 3.695 -20.108 5.709 13 HG SER 3 HG SER 3 3.657 -21.447 3.753 14 H GLY 4 H GLY 4 3.264 -17.933 3.939 15 HA2 GLY 4 1HA GLY 4 3.404 -16.192 6.061 16 HA3 GLY 4 2HA GLY 4 4.521 -15.538 4.873 17 H SER 5 H SER 5 3.266 -13.676 4.587 18 HA SER 5 HA SER 5 1.508 -12.392 3.858 19 HB2 SER 5 1HB SER 5 0.866 -12.906 1.520 20 HB3 SER 5 2HB SER 5 2.611 -12.980 1.762 21 HG SER 5 HG SER 5 0.841 -14.967 1.084 22 H SER 6 H SER 6 0.624 -14.189 5.779 23 HA SER 6 HA SER 6 -1.783 -15.472 4.799 24 HB2 SER 6 1HB SER 6 -0.300 -16.417 6.636 25 HB3 SER 6 2HB SER 6 -0.940 -15.150 7.683 26 HG SER 6 HG SER 6 -2.436 -16.598 8.036 27 H GLY 7 H GLY 7 -3.904 -14.968 5.521 28 HA2 GLY 7 1HA GLY 7 -5.639 -13.576 6.102 29 HA3 GLY 7 2HA GLY 7 -4.501 -12.697 7.113 30 H SER 8 H SER 8 -5.254 -13.162 3.659 31 HA SER 8 HA SER 8 -5.055 -10.250 3.323 32 HB2 SER 8 1HB SER 8 -3.681 -12.377 1.689 33 HB3 SER 8 2HB SER 8 -4.018 -10.779 1.024 34 HG SER 8 HG SER 8 -2.564 -9.909 2.326 35 H GLY 9 H GLY 9 -6.121 -9.468 1.339 36 HA2 GLY 9 1HA GLY 9 -8.432 -11.183 0.673 37 HA3 GLY 9 2HA GLY 9 -8.497 -9.429 0.756 38 H GLU 10 H GLU 10 -9.453 -9.660 -1.405 39 HA GLU 10 HA GLU 10 -7.342 -9.795 -3.451 40 HB2 GLU 10 1HB GLU 10 -8.938 -10.796 -5.015 41 HB3 GLU 10 2HB GLU 10 -8.711 -11.816 -3.601 42 HG2 GLU 10 1HG GLU 10 -10.821 -10.523 -2.728 43 HG3 GLU 10 2HG GLU 10 -11.089 -10.249 -4.449 44 H LYS 11 H LYS 11 -7.088 -7.868 -4.341 45 HA LYS 11 HA LYS 11 -9.429 -6.093 -4.566 46 HB2 LYS 11 1HB LYS 11 -6.490 -5.437 -4.317 47 HB3 LYS 11 2HB LYS 11 -7.729 -4.244 -4.683 48 HG2 LYS 11 1HG LYS 11 -7.391 -4.033 -2.392 49 HG3 LYS 11 2HG LYS 11 -8.853 -5.014 -2.519 50 HD2 LYS 11 1HD LYS 11 -7.806 -6.912 -1.777 51 HD3 LYS 11 2HD LYS 11 -6.226 -6.406 -2.377 52 HE2 LYS 11 1HE LYS 11 -5.949 -6.186 -0.101 53 HE3 LYS 11 2HE LYS 11 -6.438 -4.555 -0.555 54 HZ1 LYS 11 3HZ LYS 11 -7.591 -6.015 1.384 55 HZ2 LYS 11 1HZ LYS 11 -8.630 -6.320 0.084 56 HZ3 LYS 11 2HZ LYS 11 -8.341 -4.729 0.581 57 HA PRO 12 HA PRO 12 -9.118 -6.392 -8.951 58 HB2 PRO 12 1HB PRO 12 -10.442 -4.116 -9.614 59 HB3 PRO 12 2HB PRO 12 -11.259 -5.561 -9.005 60 HG2 PRO 12 1HG PRO 12 -10.470 -3.072 -7.540 61 HG3 PRO 12 2HG PRO 12 -11.979 -3.998 -7.440 62 HD2 PRO 12 1HD PRO 12 -10.010 -4.216 -5.594 63 HD3 PRO 12 2HD PRO 12 -11.064 -5.576 -6.032 64 H TYR 13 H TYR 13 -8.446 -3.187 -7.545 65 HA TYR 13 HA TYR 13 -6.650 -2.555 -9.744 66 HB2 TYR 13 1HB TYR 13 -7.216 -0.862 -7.310 67 HB3 TYR 13 2HB TYR 13 -6.582 -0.337 -8.866 68 HD1 TYR 13 HD1 TYR 13 -8.064 -0.114 -10.802 69 HD2 TYR 13 HD2 TYR 13 -9.578 -1.232 -6.986 70 HE1 TYR 13 HE1 TYR 13 -10.345 0.400 -11.564 71 HE2 TYR 13 HE2 TYR 13 -11.864 -0.722 -7.738 72 HH TYR 13 HH TYR 13 -13.120 0.120 -9.370 73 H LYS 14 H LYS 14 -4.477 -2.542 -9.642 74 HA LYS 14 HA LYS 14 -3.175 -2.906 -7.039 75 HB2 LYS 14 1HB LYS 14 -2.819 -4.651 -9.473 76 HB3 LYS 14 2HB LYS 14 -1.631 -4.581 -8.179 77 HG2 LYS 14 1HG LYS 14 -2.987 -5.665 -6.685 78 HG3 LYS 14 2HG LYS 14 -4.471 -5.151 -7.492 79 HD2 LYS 14 1HD LYS 14 -4.112 -6.713 -9.277 80 HD3 LYS 14 2HD LYS 14 -2.510 -7.124 -8.659 81 HE2 LYS 14 1HE LYS 14 -5.104 -7.605 -7.196 82 HE3 LYS 14 2HE LYS 14 -4.234 -8.822 -8.128 83 HZ1 LYS 14 3HZ LYS 14 -3.508 -9.194 -5.986 84 HZ2 LYS 14 1HZ LYS 14 -3.477 -7.551 -5.581 85 HZ3 LYS 14 2HZ LYS 14 -2.283 -8.197 -6.591 86 H CYS 15 H CYS 15 -1.131 -2.027 -6.868 87 HA CYS 15 HA CYS 15 -0.518 0.134 -8.579 88 HB2 CYS 15 1HB CYS 15 0.107 -0.095 -6.135 89 HB3 CYS 15 2HB CYS 15 1.386 -1.192 -6.645 90 H VAL 16 H VAL 16 1.448 0.446 -9.820 91 HA VAL 16 HA VAL 16 2.230 -2.018 -11.219 92 HB VAL 16 HB VAL 16 1.191 -0.239 -12.595 93 HG11 VAL 16 1HG1 VAL 16 2.568 1.782 -13.093 94 HG12 VAL 16 2HG1 VAL 16 1.923 1.733 -11.450 95 HG13 VAL 16 3HG1 VAL 16 3.616 1.336 -11.747 96 HG21 VAL 16 3HG2 VAL 16 4.078 -0.891 -13.168 97 HG22 VAL 16 1HG2 VAL 16 2.654 -1.796 -13.682 98 HG23 VAL 16 2HG2 VAL 16 2.966 -0.192 -14.345 99 H GLU 17 H GLU 17 3.398 0.470 -9.178 100 HA GLU 17 HA GLU 17 6.168 0.211 -9.925 101 HB2 GLU 17 1HB GLU 17 4.864 1.556 -7.553 102 HB3 GLU 17 2HB GLU 17 6.576 1.651 -7.941 103 HG2 GLU 17 1HG GLU 17 4.334 2.632 -9.693 104 HG3 GLU 17 2HG GLU 17 5.345 3.639 -8.657 105 H CYS 18 H CYS 18 4.208 -0.719 -7.103 106 HA CYS 18 HA CYS 18 6.363 -2.542 -6.283 107 HB2 CYS 18 1HB CYS 18 5.070 -2.618 -4.101 108 HB3 CYS 18 2HB CYS 18 5.811 -1.071 -4.500 109 H GLY 19 H GLY 19 2.866 -2.373 -6.834 110 HA2 GLY 19 1HA GLY 19 1.806 -4.202 -8.033 111 HA3 GLY 19 2HA GLY 19 2.891 -5.302 -7.196 112 H LYS 20 H LYS 20 1.596 -2.769 -5.297 113 HA LYS 20 HA LYS 20 0.371 -4.492 -3.463 114 HB2 LYS 20 1HB LYS 20 0.148 -1.531 -3.949 115 HB3 LYS 20 2HB LYS 20 -0.781 -2.323 -2.683 116 HG2 LYS 20 1HG LYS 20 2.213 -2.503 -2.887 117 HG3 LYS 20 2HG LYS 20 1.371 -1.265 -1.951 118 HD2 LYS 20 1HD LYS 20 1.563 -2.765 -0.278 119 HD3 LYS 20 2HD LYS 20 0.147 -3.497 -1.037 120 HE2 LYS 20 1HE LYS 20 1.452 -5.345 -0.980 121 HE3 LYS 20 2HE LYS 20 2.071 -4.667 -2.484 122 HZ1 LYS 20 3HZ LYS 20 3.908 -3.712 -1.306 123 HZ2 LYS 20 1HZ LYS 20 3.829 -5.359 -0.925 124 HZ3 LYS 20 2HZ LYS 20 3.283 -4.206 0.186 125 H GLY 21 H GLY 21 -2.079 -3.789 -2.801 126 HA2 GLY 21 1HA GLY 21 -3.770 -3.847 -5.194 127 HA3 GLY 21 2HA GLY 21 -3.888 -5.198 -4.076 128 H TYR 22 H TYR 22 -5.392 -2.475 -4.950 129 HA TYR 22 HA TYR 22 -6.414 -1.985 -2.230 130 HB2 TYR 22 1HB TYR 22 -5.923 -0.044 -4.482 131 HB3 TYR 22 2HB TYR 22 -7.001 0.335 -3.144 132 HD1 TYR 22 HD2 TYR 22 -3.499 -0.452 -4.031 133 HD2 TYR 22 HD1 TYR 22 -6.146 0.995 -1.030 134 HE1 TYR 22 HE2 TYR 22 -1.571 0.298 -2.700 135 HE2 TYR 22 HE1 TYR 22 -4.226 1.750 0.308 136 HH TYR 22 HH TYR 22 -1.018 0.821 -0.393 137 H LYS 23 H LYS 23 -8.541 -2.224 -1.929 138 HA LYS 23 HA LYS 23 -10.198 -3.525 -3.690 139 HB2 LYS 23 1HB LYS 23 -10.673 -3.274 -1.292 140 HB3 LYS 23 2HB LYS 23 -11.021 -1.568 -1.536 141 HG2 LYS 23 1HG LYS 23 -12.557 -3.546 -3.130 142 HG3 LYS 23 2HG LYS 23 -12.935 -3.376 -1.414 143 HD2 LYS 23 1HD LYS 23 -12.755 -0.999 -3.243 144 HD3 LYS 23 2HD LYS 23 -14.247 -1.926 -3.064 145 HE2 LYS 23 1HE LYS 23 -12.734 -0.677 -0.775 146 HE3 LYS 23 2HE LYS 23 -14.101 0.081 -1.590 147 HZ1 LYS 23 3HZ LYS 23 -14.058 -2.199 0.237 148 HZ2 LYS 23 1HZ LYS 23 -15.205 -2.221 -1.006 149 HZ3 LYS 23 2HZ LYS 23 -15.184 -0.943 0.101 150 H ARG 24 H ARG 24 -9.943 -0.022 -3.166 151 HA ARG 24 HA ARG 24 -11.459 0.374 -5.662 152 HB2 ARG 24 1HB ARG 24 -12.690 1.287 -3.807 153 HB3 ARG 24 2HB ARG 24 -11.265 2.129 -3.213 154 HG2 ARG 24 1HG ARG 24 -11.394 3.769 -4.813 155 HG3 ARG 24 2HG ARG 24 -12.279 2.743 -5.945 156 HD2 ARG 24 1HD ARG 24 -13.448 3.708 -3.345 157 HD3 ARG 24 2HD ARG 24 -13.600 4.605 -4.855 158 HE ARG 24 HE ARG 24 -14.465 2.017 -5.358 159 HH11 ARG 24 1HH1 ARG 24 -15.388 4.712 -3.356 160 HH12 ARG 24 2HH1 ARG 24 -17.071 4.303 -3.355 161 HH21 ARG 24 1HH2 ARG 24 -16.678 1.468 -5.364 162 HH22 ARG 24 2HH2 ARG 24 -17.804 2.457 -4.497 163 H ARG 25 H ARG 25 -10.549 1.531 -7.269 164 HA ARG 25 HA ARG 25 -7.819 1.884 -7.453 165 HB2 ARG 25 1HB ARG 25 -8.204 3.052 -9.470 166 HB3 ARG 25 2HB ARG 25 -9.547 1.927 -9.320 167 HG2 ARG 25 1HG ARG 25 -10.917 3.788 -8.394 168 HG3 ARG 25 2HG ARG 25 -9.579 4.882 -8.756 169 HD2 ARG 25 1HD ARG 25 -9.722 4.094 -11.140 170 HD3 ARG 25 2HD ARG 25 -11.210 3.258 -10.698 171 HE ARG 25 HE ARG 25 -12.302 5.275 -10.678 172 HH11 ARG 25 1HH1 ARG 25 -8.864 5.822 -10.726 173 HH12 ARG 25 2HH1 ARG 25 -9.008 7.527 -10.996 174 HH21 ARG 25 1HH2 ARG 25 -12.504 7.519 -11.034 175 HH22 ARG 25 2HH2 ARG 25 -11.078 8.491 -11.170 176 H LEU 26 H LEU 26 -10.283 4.255 -6.519 177 HA LEU 26 HA LEU 26 -8.866 6.569 -6.381 178 HB2 LEU 26 1HB LEU 26 -11.301 5.904 -5.602 179 HB3 LEU 26 2HB LEU 26 -10.534 5.878 -4.016 180 HG LEU 26 HG LEU 26 -11.686 8.010 -4.541 181 HD11 LEU 26 1HD1 LEU 26 -8.699 8.130 -4.165 182 HD12 LEU 26 2HD1 LEU 26 -9.924 8.007 -2.904 183 HD13 LEU 26 3HD1 LEU 26 -9.805 9.473 -3.876 184 HD21 LEU 26 3HD2 LEU 26 -9.476 8.710 -6.413 185 HD22 LEU 26 1HD2 LEU 26 -11.101 9.384 -6.280 186 HD23 LEU 26 2HD2 LEU 26 -10.861 7.804 -7.026 187 H ASP 27 H ASP 27 -8.970 4.082 -3.837 188 HA ASP 27 HA ASP 27 -7.241 5.331 -2.035 189 HB2 ASP 27 1HB ASP 27 -7.898 2.432 -2.531 190 HB3 ASP 27 2HB ASP 27 -6.789 2.929 -1.256 191 H LEU 28 H LEU 28 -6.528 2.980 -4.605 192 HA LEU 28 HA LEU 28 -3.777 2.774 -4.164 193 HB2 LEU 28 1HB LEU 28 -4.732 1.178 -5.578 194 HB3 LEU 28 2HB LEU 28 -5.506 2.402 -6.582 195 HG LEU 28 HG LEU 28 -2.952 3.009 -7.082 196 HD11 LEU 28 1HD1 LEU 28 -1.541 1.117 -7.164 197 HD12 LEU 28 2HD1 LEU 28 -2.858 0.022 -6.744 198 HD13 LEU 28 3HD1 LEU 28 -2.227 1.146 -5.540 199 HD21 LEU 28 3HD2 LEU 28 -4.710 2.475 -8.718 200 HD22 LEU 28 1HD2 LEU 28 -4.452 0.756 -8.414 201 HD23 LEU 28 2HD2 LEU 28 -3.165 1.727 -9.129 202 H ASP 29 H ASP 29 -5.547 4.888 -6.415 203 HA ASP 29 HA ASP 29 -3.455 6.209 -7.599 204 HB2 ASP 29 1HB ASP 29 -6.076 6.471 -7.825 205 HB3 ASP 29 2HB ASP 29 -5.814 7.826 -6.731 206 H PHE 30 H PHE 30 -4.758 6.660 -4.377 207 HA PHE 30 HA PHE 30 -3.232 9.040 -3.850 208 HB2 PHE 30 1HB PHE 30 -5.477 8.150 -2.757 209 HB3 PHE 30 2HB PHE 30 -4.356 7.373 -1.644 210 HD1 PHE 30 HD1 PHE 30 -2.690 8.818 -0.413 211 HD2 PHE 30 HD2 PHE 30 -6.011 10.414 -2.544 212 HE1 PHE 30 HE1 PHE 30 -2.490 10.917 0.854 213 HE2 PHE 30 HE2 PHE 30 -5.815 12.516 -1.281 214 HZ PHE 30 HZ PHE 30 -4.053 12.770 0.420 215 H HIS 31 H HIS 31 -2.712 5.644 -3.636 216 HA HIS 31 HA HIS 31 -0.645 5.709 -1.666 217 HB2 HIS 31 1HB HIS 31 -1.518 3.590 -1.801 218 HB3 HIS 31 2HB HIS 31 -1.756 3.682 -3.543 219 HD1 HIS 31 HD1 HIS 31 0.970 3.088 -0.997 220 HD2 HIS 31 HD2 HIS 31 0.242 2.562 -5.053 221 HE1 HIS 31 HE1 HIS 31 2.900 1.723 -1.855 222 H GLN 32 H GLN 32 -0.654 5.464 -5.214 223 HA GLN 32 HA GLN 32 1.997 5.210 -5.765 224 HB2 GLN 32 1HB GLN 32 -0.079 6.900 -7.153 225 HB3 GLN 32 2HB GLN 32 1.538 6.664 -7.802 226 HG2 GLN 32 1HG GLN 32 1.184 4.398 -8.195 227 HG3 GLN 32 2HG GLN 32 -0.203 4.332 -7.108 228 HE21 GLN 32 1HE2 GLN 32 -1.625 3.507 -8.579 229 HE22 GLN 32 2HE2 GLN 32 -2.189 4.388 -9.954 230 H ARG 33 H ARG 33 0.453 7.897 -4.273 231 HA ARG 33 HA ARG 33 2.022 10.054 -4.864 232 HB2 ARG 33 1HB ARG 33 0.779 9.182 -2.266 233 HB3 ARG 33 2HB ARG 33 1.670 10.693 -2.392 234 HG2 ARG 33 1HG ARG 33 0.091 11.188 -4.376 235 HG3 ARG 33 2HG ARG 33 -0.910 9.913 -3.679 236 HD2 ARG 33 1HD ARG 33 -1.702 11.953 -2.777 237 HD3 ARG 33 2HD ARG 33 -0.781 11.166 -1.496 238 HE ARG 33 HE ARG 33 1.013 12.811 -2.753 239 HH11 ARG 33 1HH1 ARG 33 -2.059 13.223 -1.167 240 HH12 ARG 33 2HH1 ARG 33 -1.714 14.835 -0.634 241 HH21 ARG 33 1HH2 ARG 33 1.478 14.932 -2.057 242 HH22 ARG 33 2HH2 ARG 33 0.297 15.807 -1.141 243 H VAL 34 H VAL 34 2.863 7.265 -2.937 244 HA VAL 34 HA VAL 34 5.254 8.389 -1.831 245 HB VAL 34 HB VAL 34 5.737 6.205 -0.986 246 HG11 VAL 34 1HG1 VAL 34 2.844 6.982 -0.918 247 HG12 VAL 34 2HG1 VAL 34 3.427 5.567 -0.039 248 HG13 VAL 34 3HG1 VAL 34 4.075 7.166 0.331 249 HG21 VAL 34 3HG2 VAL 34 5.312 4.954 -3.059 250 HG22 VAL 34 1HG2 VAL 34 4.530 4.209 -1.666 251 HG23 VAL 34 2HG2 VAL 34 3.577 5.152 -2.812 252 H HIS 35 H HIS 35 4.466 6.416 -4.638 253 HA HIS 35 HA HIS 35 7.177 5.876 -5.356 254 HB2 HIS 35 1HB HIS 35 4.586 5.673 -6.894 255 HB3 HIS 35 2HB HIS 35 6.144 5.199 -7.563 256 HD1 HIS 35 HD1 HIS 35 7.414 3.264 -6.094 257 HD2 HIS 35 HD2 HIS 35 3.317 3.690 -5.550 258 HE1 HIS 35 HE1 HIS 35 6.651 1.118 -5.028 259 H THR 36 H THR 36 4.855 8.382 -6.122 260 HA THR 36 HA THR 36 6.475 9.533 -8.213 261 HB THR 36 HB THR 36 4.790 11.458 -7.976 262 HG1 THR 36 HG1 THR 36 3.304 9.518 -6.530 263 HG21 THR 36 3HG2 THR 36 3.431 10.439 -9.501 264 HG22 THR 36 1HG2 THR 36 3.304 8.953 -8.561 265 HG23 THR 36 2HG2 THR 36 4.758 9.278 -9.504 266 H GLY 37 H GLY 37 5.383 10.691 -5.012 267 HA2 GLY 37 1HA GLY 37 6.352 12.145 -3.524 268 HA3 GLY 37 2HA GLY 37 7.892 11.589 -4.161 269 H GLU 38 H GLU 38 8.752 13.696 -3.921 270 HA GLU 38 HA GLU 38 7.650 15.720 -5.744 271 HB2 GLU 38 1HB GLU 38 8.140 16.124 -3.202 272 HB3 GLU 38 2HB GLU 38 9.803 16.296 -3.743 273 HG2 GLU 38 1HG GLU 38 8.958 18.022 -5.380 274 HG3 GLU 38 2HG GLU 38 7.429 17.965 -4.506 275 H LYS 39 H LYS 39 8.709 16.276 -7.535 276 HA LYS 39 HA LYS 39 11.574 15.694 -7.752 277 HB2 LYS 39 1HB LYS 39 10.555 13.791 -8.799 278 HB3 LYS 39 2HB LYS 39 9.439 14.811 -9.697 279 HG2 LYS 39 1HG LYS 39 11.651 15.819 -10.684 280 HG3 LYS 39 2HG LYS 39 12.322 14.266 -10.181 281 HD2 LYS 39 1HD LYS 39 10.973 13.068 -11.638 282 HD3 LYS 39 2HD LYS 39 9.782 14.365 -11.761 283 HE2 LYS 39 1HE LYS 39 12.589 14.566 -12.838 284 HE3 LYS 39 2HE LYS 39 11.214 14.019 -13.798 285 HZ1 LYS 39 3HZ LYS 39 12.020 16.596 -13.504 286 HZ2 LYS 39 1HZ LYS 39 10.712 16.491 -12.436 287 HZ3 LYS 39 2HZ LYS 39 10.505 16.097 -14.068 288 H LEU 40 H LEU 40 12.530 17.558 -8.203 289 HA LEU 40 HA LEU 40 11.206 19.395 -10.087 290 HB2 LEU 40 1HB LEU 40 12.192 21.263 -8.866 291 HB3 LEU 40 2HB LEU 40 11.116 20.311 -7.846 292 HG LEU 40 HG LEU 40 14.084 19.884 -7.783 293 HD11 LEU 40 1HD1 LEU 40 12.988 22.335 -7.257 294 HD12 LEU 40 2HD1 LEU 40 14.493 21.718 -6.576 295 HD13 LEU 40 3HD1 LEU 40 12.988 21.570 -5.668 296 HD21 LEU 40 3HD2 LEU 40 12.891 19.602 -5.270 297 HD22 LEU 40 1HD2 LEU 40 13.458 18.318 -6.338 298 HD23 LEU 40 2HD2 LEU 40 11.777 18.847 -6.411 299 H SER 41 H SER 41 14.052 17.706 -9.162 300 HA SER 41 HA SER 41 15.683 19.177 -11.105 301 HB2 SER 41 1HB SER 41 17.597 17.976 -10.111 302 HB3 SER 41 2HB SER 41 16.681 18.857 -8.889 303 HG SER 41 HG SER 41 16.414 16.089 -9.465 304 H GLY 42 H GLY 42 17.226 17.771 -12.405 305 HA2 GLY 42 1HA GLY 42 17.138 15.197 -13.062 306 HA3 GLY 42 2HA GLY 42 15.621 15.747 -13.757 307 HA PRO 43 HA PRO 43 19.094 18.104 -16.159 308 HB2 PRO 43 1HB PRO 43 21.654 17.358 -15.648 309 HB3 PRO 43 2HB PRO 43 20.834 18.649 -14.761 310 HG2 PRO 43 1HG PRO 43 21.270 15.794 -13.976 311 HG3 PRO 43 2HG PRO 43 21.433 17.261 -12.994 312 HD2 PRO 43 1HD PRO 43 19.252 15.662 -12.871 313 HD3 PRO 43 2HD PRO 43 19.164 17.417 -12.624 314 H SER 44 H SER 44 19.665 14.728 -15.313 315 HA SER 44 HA SER 44 20.485 14.131 -18.055 316 HB2 SER 44 1HB SER 44 20.649 12.659 -15.449 317 HB3 SER 44 2HB SER 44 20.724 11.755 -16.962 318 HG SER 44 HG SER 44 22.376 13.610 -17.412 319 H SER 45 H SER 45 19.072 13.431 -19.503 320 HA SER 45 HA SER 45 16.727 11.913 -18.596 321 HB2 SER 45 1HB SER 45 15.786 14.058 -18.930 322 HB3 SER 45 2HB SER 45 16.743 14.342 -20.384 323 HG SER 45 HG SER 45 15.515 12.732 -21.425 324 H GLY 46 H GLY 46 15.895 10.421 -20.091 325 HA2 GLY 46 1HA GLY 46 16.789 10.144 -22.750 326 HA3 GLY 46 2HA GLY 46 17.775 9.125 -21.711
Contact the webmaster for help, if required. Tuesday, May 14, 2024 5:43:04 AM GMT (wattos1)