NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588798 | 2rv5 | 11485 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -7.630 0.995 -12.527 2 H2 GLY 1 2H GLY 1 -8.276 2.271 -11.725 3 H3 GLY 1 3H GLY 1 -9.179 0.931 -12.001 4 HA2 GLY 1 1HA GLY 1 -6.799 1.068 -10.261 5 HA3 GLY 1 2HA GLY 1 -8.478 0.984 -9.705 6 H SER 2 H SER 2 -7.731 -0.929 -8.528 7 HA SER 2 HA SER 2 -7.002 -3.359 -9.962 8 HB2 SER 2 1HB SER 2 -6.370 -2.824 -7.588 9 HB3 SER 2 2HB SER 2 -8.058 -3.134 -7.125 10 HG SER 2 HG SER 2 -6.678 -4.994 -6.929 11 H SER 3 H SER 3 -8.268 -5.365 -9.893 12 HA SER 3 HA SER 3 -11.049 -4.947 -10.783 13 HB2 SER 3 1HB SER 3 -9.518 -6.472 -11.998 14 HB3 SER 3 2HB SER 3 -9.454 -7.521 -10.566 15 HG SER 3 HG SER 3 -11.054 -8.180 -12.106 16 H GLY 4 H GLY 4 -12.803 -5.202 -9.543 17 HA2 GLY 4 1HA GLY 4 -14.160 -5.616 -7.710 18 HA3 GLY 4 2HA GLY 4 -13.094 -6.951 -7.281 19 H SER 5 H SER 5 -13.526 -6.318 -5.082 20 HA SER 5 HA SER 5 -13.011 -5.458 -3.059 21 HB2 SER 5 1HB SER 5 -10.733 -6.072 -3.900 22 HB3 SER 5 2HB SER 5 -10.487 -4.371 -4.326 23 HG SER 5 HG SER 5 -9.637 -4.741 -2.325 24 H SER 6 H SER 6 -12.217 -3.471 -1.836 25 HA SER 6 HA SER 6 -13.205 -0.884 -2.962 26 HB2 SER 6 1HB SER 6 -13.652 -1.858 -0.117 27 HB3 SER 6 2HB SER 6 -14.125 -0.282 -0.776 28 HG SER 6 HG SER 6 -15.869 -1.778 -0.759 29 H GLY 7 H GLY 7 -10.462 -2.351 -2.340 30 HA2 GLY 7 1HA GLY 7 -8.924 -0.008 -1.746 31 HA3 GLY 7 2HA GLY 7 -9.058 -1.013 -0.306 32 H TYR 8 H TYR 8 -6.650 -0.720 -0.917 33 HA TYR 8 HA TYR 8 -5.639 -2.912 -2.702 34 HB2 TYR 8 1HB TYR 8 -4.414 -0.196 -2.067 35 HB3 TYR 8 2HB TYR 8 -3.690 -1.447 -3.065 36 HD1 TYR 8 2HD TYR 8 -6.615 0.889 -2.872 37 HD2 TYR 8 1HD TYR 8 -4.174 -1.632 -5.386 38 HE1 TYR 8 2HE TYR 8 -7.796 1.752 -4.878 39 HE2 TYR 8 1HE TYR 8 -5.327 -0.726 -7.399 40 HH TYR 8 HH TYR 8 -7.978 1.673 -7.155 41 H VAL 9 H VAL 9 -3.732 -4.075 -1.965 42 HA VAL 9 HA VAL 9 -3.351 -3.926 0.996 43 HB VAL 9 HB VAL 9 -3.452 -6.470 -0.645 44 HG11 VAL 9 1HG1 VAL 9 -3.674 -7.531 1.606 45 HG12 VAL 9 2HG1 VAL 9 -2.147 -6.673 1.440 46 HG13 VAL 9 3HG1 VAL 9 -3.460 -5.939 2.367 47 HG21 VAL 9 3HG2 VAL 9 -5.629 -6.902 0.435 48 HG22 VAL 9 1HG2 VAL 9 -5.587 -5.292 1.178 49 HG23 VAL 9 2HG2 VAL 9 -5.720 -5.471 -0.589 50 H CYS 10 H CYS 10 -1.414 -4.179 1.870 51 HA CYS 10 HA CYS 10 1.032 -3.810 0.471 52 HB2 CYS 10 1HB CYS 10 0.476 -3.244 2.829 53 HB3 CYS 10 2HB CYS 10 0.496 -4.973 3.217 54 H ALA 11 H ALA 11 2.499 -5.158 -0.373 55 HA ALA 11 HA ALA 11 1.865 -8.019 -0.669 56 HB1 ALA 11 1HB ALA 11 2.604 -6.690 -2.607 57 HB2 ALA 11 2HB ALA 11 4.146 -6.341 -1.794 58 HB3 ALA 11 3HB ALA 11 3.737 -8.006 -2.253 59 H LEU 12 H LEU 12 3.422 -6.210 1.686 60 HA LEU 12 HA LEU 12 5.510 -8.265 2.277 61 HB2 LEU 12 1HB LEU 12 5.336 -5.380 3.215 62 HB3 LEU 12 2HB LEU 12 6.622 -6.531 3.505 63 HG LEU 12 HG LEU 12 6.922 -6.575 0.907 64 HD11 LEU 12 1HD1 LEU 12 4.938 -5.252 0.183 65 HD12 LEU 12 2HD1 LEU 12 6.409 -4.359 -0.168 66 HD13 LEU 12 3HD1 LEU 12 5.425 -3.916 1.236 67 HD21 LEU 12 3HD2 LEU 12 8.470 -5.574 2.554 68 HD22 LEU 12 1HD2 LEU 12 7.482 -4.101 2.558 69 HD23 LEU 12 2HD2 LEU 12 8.374 -4.569 1.092 70 H CYS 13 H CYS 13 3.285 -6.092 4.007 71 HA CYS 13 HA CYS 13 3.129 -8.054 6.250 72 HB2 CYS 13 1HB CYS 13 2.568 -6.332 7.747 73 HB3 CYS 13 2HB CYS 13 4.056 -5.951 6.901 74 H LEU 14 H LEU 14 1.293 -7.354 3.637 75 HA LEU 14 HA LEU 14 -0.803 -7.784 2.977 76 HB2 LEU 14 1HB LEU 14 -1.038 -9.654 5.321 77 HB3 LEU 14 2HB LEU 14 -1.884 -9.728 3.781 78 HG LEU 14 HG LEU 14 1.081 -10.244 4.262 79 HD11 LEU 14 1HD1 LEU 14 -1.171 -12.046 3.289 80 HD12 LEU 14 2HD1 LEU 14 -0.470 -12.047 4.924 81 HD13 LEU 14 3HD1 LEU 14 0.528 -12.512 3.538 82 HD21 LEU 14 3HD2 LEU 14 1.159 -10.921 1.852 83 HD22 LEU 14 1HD2 LEU 14 0.942 -9.190 2.077 84 HD23 LEU 14 2HD2 LEU 14 -0.451 -10.199 1.627 85 H LYS 15 H LYS 15 -0.513 -5.560 4.907 86 HA LYS 15 HA LYS 15 -3.132 -5.189 6.156 87 HB2 LYS 15 1HB LYS 15 -0.965 -4.259 7.001 88 HB3 LYS 15 2HB LYS 15 -0.876 -3.278 5.519 89 HG2 LYS 15 1HG LYS 15 -2.801 -1.973 6.183 90 HG3 LYS 15 2HG LYS 15 -3.188 -3.099 7.502 91 HD2 LYS 15 1HD LYS 15 -1.199 -2.440 8.740 92 HD3 LYS 15 2HD LYS 15 -0.594 -1.511 7.371 93 HE2 LYS 15 1HE LYS 15 -1.476 0.042 8.957 94 HE3 LYS 15 2HE LYS 15 -2.542 0.035 7.548 95 HZ1 LYS 15 3HZ LYS 15 -3.785 -0.017 9.647 96 HZ2 LYS 15 1HZ LYS 15 -3.075 -1.414 10.093 97 HZ3 LYS 15 2HZ LYS 15 -4.081 -1.378 8.802 98 H LYS 16 H LYS 16 -4.839 -3.948 5.429 99 HA LYS 16 HA LYS 16 -4.856 -3.222 2.554 100 HB2 LYS 16 1HB LYS 16 -6.502 -4.833 3.513 101 HB3 LYS 16 2HB LYS 16 -7.223 -3.510 4.436 102 HG2 LYS 16 1HG LYS 16 -7.924 -2.375 2.410 103 HG3 LYS 16 2HG LYS 16 -6.911 -3.421 1.401 104 HD2 LYS 16 1HD LYS 16 -8.289 -5.390 2.156 105 HD3 LYS 16 2HD LYS 16 -9.385 -4.250 2.968 106 HE2 LYS 16 1HE LYS 16 -9.874 -3.166 0.803 107 HE3 LYS 16 2HE LYS 16 -8.676 -4.192 -0.001 108 HZ1 LYS 16 3HZ LYS 16 -11.206 -5.135 1.240 109 HZ2 LYS 16 1HZ LYS 16 -10.052 -6.134 0.650 110 HZ3 LYS 16 2HZ LYS 16 -10.833 -5.129 -0.363 111 H PHE 17 H PHE 17 -5.612 -1.360 1.736 112 HA PHE 17 HA PHE 17 -5.727 1.090 3.435 113 HB2 PHE 17 1HB PHE 17 -3.961 0.571 1.000 114 HB3 PHE 17 2HB PHE 17 -4.206 2.151 1.731 115 HD1 PHE 17 2HD PHE 17 -3.441 2.625 4.060 116 HD2 PHE 17 1HD PHE 17 -2.469 -1.069 2.044 117 HE1 PHE 17 2HE PHE 17 -1.729 2.128 5.788 118 HE2 PHE 17 1HE PHE 17 -0.757 -1.551 3.768 119 HZ PHE 17 HZ PHE 17 -0.421 0.022 5.659 120 H VAL 18 H VAL 18 -6.726 2.886 2.497 121 HA VAL 18 HA VAL 18 -9.018 2.287 0.892 122 HB VAL 18 HB VAL 18 -8.911 3.929 2.734 123 HG11 VAL 18 1HG1 VAL 18 -7.517 5.790 0.764 124 HG12 VAL 18 2HG1 VAL 18 -8.090 6.191 2.392 125 HG13 VAL 18 3HG1 VAL 18 -6.761 5.046 2.191 126 HG21 VAL 18 3HG2 VAL 18 -10.770 3.966 1.094 127 HG22 VAL 18 1HG2 VAL 18 -10.430 5.549 1.816 128 HG23 VAL 18 2HG2 VAL 18 -9.898 5.205 0.161 129 H SER 19 H SER 19 -5.839 3.367 -0.079 130 HA SER 19 HA SER 19 -6.719 3.475 -2.891 131 HB2 SER 19 1HB SER 19 -6.380 5.645 -3.288 132 HB3 SER 19 2HB SER 19 -6.638 5.847 -1.547 133 HG SER 19 HG SER 19 -4.765 6.893 -2.372 134 H SER 20 H SER 20 -4.949 3.564 -4.443 135 HA SER 20 HA SER 20 -2.763 1.799 -3.832 136 HB2 SER 20 1HB SER 20 -1.998 2.404 -6.110 137 HB3 SER 20 2HB SER 20 -3.699 1.909 -6.055 138 HG SER 20 HG SER 20 -3.403 3.810 -7.313 139 H ILE 21 H ILE 21 -3.065 5.352 -3.851 140 HA ILE 21 HA ILE 21 -0.224 5.905 -3.529 141 HB ILE 21 HB ILE 21 -2.733 7.503 -2.922 142 HG12 ILE 21 1HG1 ILE 21 -2.281 7.159 -5.312 143 HG13 ILE 21 2HG1 ILE 21 -2.177 8.841 -4.831 144 HG21 ILE 21 1HG2 ILE 21 -1.222 9.491 -2.661 145 HG22 ILE 21 2HG2 ILE 21 -1.167 8.332 -1.331 146 HG23 ILE 21 3HG2 ILE 21 0.148 8.360 -2.528 147 HD11 ILE 21 3HD1 ILE 21 0.215 7.022 -5.359 148 HD12 ILE 21 1HD1 ILE 21 -0.420 8.272 -6.438 149 HD13 ILE 21 2HD1 ILE 21 0.301 8.735 -4.889 150 H ARG 22 H ARG 22 -2.932 5.467 -1.220 151 HA ARG 22 HA ARG 22 -1.313 5.910 1.144 152 HB2 ARG 22 1HB ARG 22 -4.022 4.621 0.642 153 HB3 ARG 22 2HB ARG 22 -3.238 4.512 2.217 154 HG2 ARG 22 1HG ARG 22 -4.688 6.356 2.356 155 HG3 ARG 22 2HG ARG 22 -3.041 7.004 2.288 156 HD2 ARG 22 1HD ARG 22 -3.435 7.555 -0.138 157 HD3 ARG 22 2HD ARG 22 -5.081 6.935 0.051 158 HE ARG 22 HE ARG 22 -5.715 8.838 1.178 159 HH11 ARG 22 2HH1 ARG 22 -2.214 8.951 0.971 160 HH12 ARG 22 1HH1 ARG 22 -2.155 10.610 1.499 161 HH21 ARG 22 2HH2 ARG 22 -5.555 10.937 1.855 162 HH22 ARG 22 1HH2 ARG 22 -3.996 11.694 1.991 163 H LEU 23 H LEU 23 -1.928 2.992 -0.762 164 HA LEU 23 HA LEU 23 -0.406 1.211 0.930 165 HB2 LEU 23 1HB LEU 23 -1.965 0.250 -0.565 166 HB3 LEU 23 2HB LEU 23 -1.380 1.187 -1.936 167 HG LEU 23 HG LEU 23 0.693 -0.091 -2.025 168 HD11 LEU 23 1HD1 LEU 23 1.026 -2.086 -0.683 169 HD12 LEU 23 2HD1 LEU 23 -0.461 -1.752 0.251 170 HD13 LEU 23 3HD1 LEU 23 0.950 -0.696 0.389 171 HD21 LEU 23 3HD2 LEU 23 -0.235 -2.229 -2.750 172 HD22 LEU 23 1HD2 LEU 23 -1.283 -0.895 -3.263 173 HD23 LEU 23 2HD2 LEU 23 -1.735 -1.905 -1.864 174 H ARG 24 H ARG 24 0.502 2.988 -2.107 175 HA ARG 24 HA ARG 24 3.167 2.066 -2.273 176 HB2 ARG 24 1HB ARG 24 1.843 4.695 -3.058 177 HB3 ARG 24 2HB ARG 24 3.536 4.390 -3.425 178 HG2 ARG 24 1HG ARG 24 3.073 2.614 -4.926 179 HG3 ARG 24 2HG ARG 24 1.441 2.383 -4.306 180 HD2 ARG 24 1HD ARG 24 1.224 3.464 -6.414 181 HD3 ARG 24 2HD ARG 24 0.819 4.649 -5.154 182 HE ARG 24 HE ARG 24 3.553 4.999 -5.700 183 HH11 ARG 24 2HH1 ARG 24 0.619 5.313 -7.589 184 HH12 ARG 24 1HH1 ARG 24 1.312 6.528 -8.627 185 HH21 ARG 24 2HH2 ARG 24 4.367 6.564 -7.053 186 HH22 ARG 24 1HH2 ARG 24 3.375 7.213 -8.323 187 H SER 25 H SER 25 2.013 5.005 -0.661 188 HA SER 25 HA SER 25 4.582 5.775 0.373 189 HB2 SER 25 1HB SER 25 1.729 6.519 1.069 190 HB3 SER 25 2HB SER 25 3.138 7.294 1.836 191 HG SER 25 HG SER 25 3.796 8.043 -0.175 192 H HIS 26 H HIS 26 1.993 3.752 1.863 193 HA HIS 26 HA HIS 26 3.006 3.582 4.500 194 HB2 HIS 26 1HB HIS 26 0.961 2.504 4.193 195 HB3 HIS 26 2HB HIS 26 1.443 1.731 2.703 196 HD1 HIS 26 1HD HIS 26 1.928 1.238 6.487 197 HD2 HIS 26 2HD HIS 26 2.533 -0.681 2.794 198 HE1 HIS 26 1HE HIS 26 2.468 -1.176 7.043 199 H ILE 27 H ILE 27 3.985 1.703 1.607 200 HA ILE 27 HA ILE 27 5.780 -0.027 2.947 201 HB ILE 27 HB ILE 27 5.997 0.960 0.083 202 HG12 ILE 27 1HG1 ILE 27 4.560 -1.562 1.035 203 HG13 ILE 27 2HG1 ILE 27 3.724 -0.060 0.688 204 HG21 ILE 27 1HG2 ILE 27 7.233 -1.055 -0.370 205 HG22 ILE 27 2HG2 ILE 27 8.007 -0.274 1.002 206 HG23 ILE 27 3HG2 ILE 27 6.945 -1.671 1.271 207 HD11 ILE 27 3HD1 ILE 27 3.545 -1.408 -1.263 208 HD12 ILE 27 1HD1 ILE 27 4.669 -0.079 -1.633 209 HD13 ILE 27 2HD1 ILE 27 5.290 -1.716 -1.305 210 H ARG 28 H ARG 28 6.293 3.255 1.702 211 HA ARG 28 HA ARG 28 9.184 3.188 2.116 212 HB2 ARG 28 1HB ARG 28 7.622 5.744 1.943 213 HB3 ARG 28 2HB ARG 28 9.235 5.362 1.337 214 HG2 ARG 28 1HG ARG 28 6.553 4.535 0.192 215 HG3 ARG 28 2HG ARG 28 7.682 5.671 -0.524 216 HD2 ARG 28 1HD ARG 28 9.171 3.987 -1.190 217 HD3 ARG 28 2HD ARG 28 8.484 2.775 -0.088 218 HE ARG 28 HE ARG 28 6.356 3.281 -1.656 219 HH11 ARG 28 2HH1 ARG 28 9.628 2.231 -2.370 220 HH12 ARG 28 1HH1 ARG 28 9.138 1.391 -3.824 221 HH21 ARG 28 2HH2 ARG 28 5.810 2.211 -3.530 222 HH22 ARG 28 1HH2 ARG 28 7.023 1.360 -4.440 223 H GLU 29 H GLU 29 6.405 4.318 3.980 224 HA GLU 29 HA GLU 29 7.878 5.667 6.048 225 HB2 GLU 29 1HB GLU 29 5.075 4.485 5.934 226 HB3 GLU 29 2HB GLU 29 5.713 5.321 7.354 227 HG2 GLU 29 1HG GLU 29 6.128 7.346 6.026 228 HG3 GLU 29 2HG GLU 29 5.508 6.557 4.581 229 H VAL 30 H VAL 30 6.725 2.263 5.830 230 HA VAL 30 HA VAL 30 8.137 1.752 8.426 231 HB VAL 30 HB VAL 30 6.552 0.241 9.040 232 HG11 VAL 30 1HG1 VAL 30 5.887 2.643 9.257 233 HG12 VAL 30 2HG1 VAL 30 4.961 2.488 7.744 234 HG13 VAL 30 3HG1 VAL 30 4.498 1.540 9.172 235 HG21 VAL 30 3HG2 VAL 30 6.054 -0.999 7.010 236 HG22 VAL 30 1HG2 VAL 30 4.576 -0.444 7.780 237 HG23 VAL 30 2HG2 VAL 30 5.186 0.397 6.338 238 H HIS 31 H HIS 31 7.907 0.500 5.153 239 HA HIS 31 HA HIS 31 9.647 -1.810 5.961 240 HB2 HIS 31 1HB HIS 31 8.225 -1.415 3.323 241 HB3 HIS 31 2HB HIS 31 9.100 -2.832 3.868 242 HD1 HIS 31 1HD HIS 31 7.835 -3.621 6.534 243 HD2 HIS 31 2HD HIS 31 5.724 -2.069 3.258 244 HE1 HIS 31 1HE HIS 31 5.436 -4.395 6.819 245 H GLY 32 H GLY 32 9.792 1.286 4.616 246 HA2 GLY 32 1HA GLY 32 11.515 2.573 3.882 247 HA3 GLY 32 2HA GLY 32 12.613 1.348 4.530 248 H ALA 33 H ALA 33 10.392 0.634 1.850 249 HA ALA 33 HA ALA 33 12.574 -0.227 0.169 250 HB1 ALA 33 1HB ALA 33 9.634 0.148 -0.502 251 HB2 ALA 33 2HB ALA 33 10.814 -0.818 -1.406 252 HB3 ALA 33 3HB ALA 33 10.344 -1.312 0.234 253 H ALA 34 H ALA 34 13.958 1.371 -0.505 254 HA ALA 34 HA ALA 34 12.956 3.839 -1.771 255 HB1 ALA 34 1HB ALA 34 15.768 2.935 -1.019 256 HB2 ALA 34 2HB ALA 34 15.260 4.576 -1.492 257 HB3 ALA 34 3HB ALA 34 14.681 3.880 0.023 258 H GLN 35 H GLN 35 15.464 3.939 -3.308 259 HA GLN 35 HA GLN 35 15.003 2.110 -5.607 260 HB2 GLN 35 1HB GLN 35 14.993 5.155 -5.795 261 HB3 GLN 35 2HB GLN 35 15.128 4.054 -7.169 262 HG2 GLN 35 1HG GLN 35 12.908 3.064 -6.580 263 HG3 GLN 35 2HG GLN 35 12.748 4.237 -5.267 264 HE21 GLN 35 1HE2 GLN 35 13.023 3.968 -8.859 265 HE22 GLN 35 2HE2 GLN 35 12.238 5.515 -9.156 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -12.210 -19.549 -7.260 2 H2 GLY 1 2H GLY 1 -10.968 -19.721 -6.207 3 H3 GLY 1 3H GLY 1 -11.203 -18.290 -6.970 4 HA2 GLY 1 1HA GLY 1 -13.042 -19.494 -5.004 5 HA3 GLY 1 2HA GLY 1 -11.936 -18.148 -4.677 6 H SER 2 H SER 2 -15.030 -18.557 -4.847 7 HA SER 2 HA SER 2 -15.903 -16.858 -7.019 8 HB2 SER 2 1HB SER 2 -17.447 -17.871 -4.608 9 HB3 SER 2 2HB SER 2 -18.131 -17.231 -6.114 10 HG SER 2 HG SER 2 -18.071 -19.531 -6.096 11 H SER 3 H SER 3 -14.807 -16.041 -3.848 12 HA SER 3 HA SER 3 -16.521 -13.862 -3.236 13 HB2 SER 3 1HB SER 3 -13.649 -14.312 -2.348 14 HB3 SER 3 2HB SER 3 -14.841 -13.249 -1.573 15 HG SER 3 HG SER 3 -14.708 -15.303 -0.543 16 H GLY 4 H GLY 4 -16.454 -11.697 -3.573 17 HA2 GLY 4 1HA GLY 4 -14.806 -10.556 -5.707 18 HA3 GLY 4 2HA GLY 4 -16.029 -9.730 -4.749 19 H SER 5 H SER 5 -13.793 -8.370 -5.343 20 HA SER 5 HA SER 5 -12.641 -7.820 -2.694 21 HB2 SER 5 1HB SER 5 -11.088 -9.486 -3.754 22 HB3 SER 5 2HB SER 5 -10.812 -8.331 -5.073 23 HG SER 5 HG SER 5 -9.232 -8.195 -3.381 24 H SER 6 H SER 6 -11.780 -5.735 -2.495 25 HA SER 6 HA SER 6 -11.651 -3.856 -4.711 26 HB2 SER 6 1HB SER 6 -14.102 -3.855 -4.137 27 HB3 SER 6 2HB SER 6 -13.678 -3.325 -2.497 28 HG SER 6 HG SER 6 -14.202 -1.578 -3.938 29 H GLY 7 H GLY 7 -10.589 -1.876 -4.081 30 HA2 GLY 7 1HA GLY 7 -9.125 -0.569 -2.773 31 HA3 GLY 7 2HA GLY 7 -9.379 -1.635 -1.397 32 H TYR 8 H TYR 8 -7.040 -1.324 -1.176 33 HA TYR 8 HA TYR 8 -5.380 -3.102 -2.929 34 HB2 TYR 8 1HB TYR 8 -4.627 -0.394 -1.767 35 HB3 TYR 8 2HB TYR 8 -3.600 -1.433 -2.748 36 HD1 TYR 8 2HD TYR 8 -6.582 0.774 -2.775 37 HD2 TYR 8 1HD TYR 8 -3.892 -1.598 -5.173 38 HE1 TYR 8 2HE TYR 8 -7.542 1.778 -4.836 39 HE2 TYR 8 1HE TYR 8 -4.843 -0.574 -7.240 40 HH TYR 8 HH TYR 8 -7.475 1.859 -7.129 41 H VAL 9 H VAL 9 -3.572 -4.148 -1.927 42 HA VAL 9 HA VAL 9 -3.472 -4.059 1.040 43 HB VAL 9 HB VAL 9 -3.563 -6.624 -0.585 44 HG11 VAL 9 1HG1 VAL 9 -3.366 -6.113 2.419 45 HG12 VAL 9 2HG1 VAL 9 -3.673 -7.699 1.677 46 HG13 VAL 9 3HG1 VAL 9 -2.143 -6.872 1.386 47 HG21 VAL 9 3HG2 VAL 9 -5.685 -7.079 0.592 48 HG22 VAL 9 1HG2 VAL 9 -5.612 -5.484 1.363 49 HG23 VAL 9 2HG2 VAL 9 -5.833 -5.625 -0.395 50 H CYS 10 H CYS 10 -1.507 -4.254 1.944 51 HA CYS 10 HA CYS 10 0.873 -3.815 0.436 52 HB2 CYS 10 1HB CYS 10 0.388 -3.072 2.748 53 HB3 CYS 10 2HB CYS 10 0.460 -4.754 3.296 54 H ALA 11 H ALA 11 2.149 -5.153 -0.621 55 HA ALA 11 HA ALA 11 1.745 -8.019 -0.632 56 HB1 ALA 11 1HB ALA 11 3.939 -6.300 -1.875 57 HB2 ALA 11 2HB ALA 11 3.585 -7.994 -2.270 58 HB3 ALA 11 3HB ALA 11 2.391 -6.736 -2.635 59 H LEU 12 H LEU 12 3.338 -6.099 1.614 60 HA LEU 12 HA LEU 12 5.452 -8.114 2.241 61 HB2 LEU 12 1HB LEU 12 5.229 -5.208 3.105 62 HB3 LEU 12 2HB LEU 12 6.524 -6.332 3.457 63 HG LEU 12 HG LEU 12 6.873 -6.473 0.876 64 HD11 LEU 12 1HD1 LEU 12 5.305 -3.844 1.062 65 HD12 LEU 12 2HD1 LEU 12 4.896 -5.230 0.038 66 HD13 LEU 12 3HD1 LEU 12 6.348 -4.302 -0.295 67 HD21 LEU 12 3HD2 LEU 12 8.303 -4.463 0.996 68 HD22 LEU 12 1HD2 LEU 12 8.361 -5.368 2.524 69 HD23 LEU 12 2HD2 LEU 12 7.362 -3.907 2.399 70 H CYS 13 H CYS 13 3.199 -5.939 3.942 71 HA CYS 13 HA CYS 13 3.135 -7.845 6.232 72 HB2 CYS 13 1HB CYS 13 2.604 -6.122 7.708 73 HB3 CYS 13 2HB CYS 13 4.034 -5.710 6.781 74 H LEU 14 H LEU 14 1.159 -7.267 3.666 75 HA LEU 14 HA LEU 14 -0.962 -7.728 3.135 76 HB2 LEU 14 1HB LEU 14 -0.606 -9.655 5.428 77 HB3 LEU 14 2HB LEU 14 -2.059 -9.624 4.464 78 HG LEU 14 HG LEU 14 -0.592 -11.380 3.759 79 HD11 LEU 14 1HD1 LEU 14 -0.656 -11.029 1.375 80 HD12 LEU 14 2HD1 LEU 14 -0.752 -9.273 1.574 81 HD13 LEU 14 3HD1 LEU 14 -2.098 -10.304 2.106 82 HD21 LEU 14 3HD2 LEU 14 1.507 -11.099 2.656 83 HD22 LEU 14 1HD2 LEU 14 1.616 -10.300 4.234 84 HD23 LEU 14 2HD2 LEU 14 1.411 -9.333 2.752 85 H LYS 15 H LYS 15 -0.573 -5.489 5.097 86 HA LYS 15 HA LYS 15 -3.179 -5.070 6.330 87 HB2 LYS 15 1HB LYS 15 -1.118 -3.864 7.059 88 HB3 LYS 15 2HB LYS 15 -1.012 -3.158 5.424 89 HG2 LYS 15 1HG LYS 15 -3.097 -1.959 5.777 90 HG3 LYS 15 2HG LYS 15 -3.384 -2.790 7.320 91 HD2 LYS 15 1HD LYS 15 -1.407 -1.651 8.272 92 HD3 LYS 15 2HD LYS 15 -1.112 -0.839 6.729 93 HE2 LYS 15 1HE LYS 15 -3.598 -0.577 8.489 94 HE3 LYS 15 2HE LYS 15 -2.301 0.607 8.322 95 HZ1 LYS 15 3HZ LYS 15 -4.193 1.209 6.935 96 HZ2 LYS 15 1HZ LYS 15 -4.170 -0.217 6.141 97 HZ3 LYS 15 2HZ LYS 15 -2.938 0.837 5.954 98 H LYS 16 H LYS 16 -4.964 -4.042 5.533 99 HA LYS 16 HA LYS 16 -5.158 -3.537 2.633 100 HB2 LYS 16 1HB LYS 16 -6.761 -4.966 3.940 101 HB3 LYS 16 2HB LYS 16 -7.372 -3.498 4.715 102 HG2 LYS 16 1HG LYS 16 -8.150 -2.632 2.572 103 HG3 LYS 16 2HG LYS 16 -7.301 -3.916 1.691 104 HD2 LYS 16 1HD LYS 16 -8.735 -5.602 2.919 105 HD3 LYS 16 2HD LYS 16 -9.698 -4.255 3.547 106 HE2 LYS 16 1HE LYS 16 -9.181 -4.825 0.589 107 HE3 LYS 16 2HE LYS 16 -10.589 -5.430 1.463 108 HZ1 LYS 16 3HZ LYS 16 -10.995 -3.361 0.227 109 HZ2 LYS 16 1HZ LYS 16 -9.961 -2.541 1.190 110 HZ3 LYS 16 2HZ LYS 16 -11.329 -3.184 1.827 111 H PHE 17 H PHE 17 -5.987 -1.733 1.698 112 HA PHE 17 HA PHE 17 -5.942 0.878 3.134 113 HB2 PHE 17 1HB PHE 17 -4.360 0.081 0.653 114 HB3 PHE 17 2HB PHE 17 -4.591 1.741 1.169 115 HD1 PHE 17 1HD PHE 17 -2.918 -1.458 1.965 116 HD2 PHE 17 2HD PHE 17 -3.476 2.654 3.135 117 HE1 PHE 17 1HE PHE 17 -1.016 -1.639 3.534 118 HE2 PHE 17 2HE PHE 17 -1.498 2.501 4.631 119 HZ PHE 17 HZ PHE 17 -0.301 0.331 4.863 120 H VAL 18 H VAL 18 -6.994 2.568 2.139 121 HA VAL 18 HA VAL 18 -9.303 1.944 0.505 122 HB VAL 18 HB VAL 18 -9.380 3.523 2.347 123 HG11 VAL 18 1HG1 VAL 18 -7.608 5.390 0.698 124 HG12 VAL 18 2HG1 VAL 18 -8.460 5.800 2.193 125 HG13 VAL 18 3HG1 VAL 18 -7.177 4.595 2.232 126 HG21 VAL 18 3HG2 VAL 18 -9.969 4.982 -0.252 127 HG22 VAL 18 1HG2 VAL 18 -11.005 3.736 0.484 128 HG23 VAL 18 2HG2 VAL 18 -10.703 5.259 1.337 129 H SER 19 H SER 19 -6.127 3.301 -0.219 130 HA SER 19 HA SER 19 -6.740 3.327 -3.114 131 HB2 SER 19 1HB SER 19 -7.348 5.568 -2.453 132 HB3 SER 19 2HB SER 19 -5.838 5.770 -1.554 133 HG SER 19 HG SER 19 -5.897 6.708 -3.723 134 H SER 20 H SER 20 -4.858 3.335 -4.449 135 HA SER 20 HA SER 20 -2.657 1.803 -3.445 136 HB2 SER 20 1HB SER 20 -1.669 2.227 -5.686 137 HB3 SER 20 2HB SER 20 -3.331 1.620 -5.746 138 HG SER 20 HG SER 20 -3.078 3.362 -7.176 139 H ILE 21 H ILE 21 -3.099 5.317 -3.835 140 HA ILE 21 HA ILE 21 -0.344 6.059 -3.477 141 HB ILE 21 HB ILE 21 -2.956 7.533 -3.016 142 HG12 ILE 21 1HG1 ILE 21 -2.153 8.950 -4.879 143 HG13 ILE 21 2HG1 ILE 21 -0.689 7.984 -5.020 144 HG21 ILE 21 1HG2 ILE 21 -1.562 9.613 -2.746 145 HG22 ILE 21 2HG2 ILE 21 -1.427 8.504 -1.386 146 HG23 ILE 21 3HG2 ILE 21 -0.124 8.578 -2.593 147 HD11 ILE 21 3HD1 ILE 21 -3.498 6.898 -5.491 148 HD12 ILE 21 1HD1 ILE 21 -2.441 7.546 -6.761 149 HD13 ILE 21 2HD1 ILE 21 -1.948 6.100 -5.876 150 H ARG 22 H ARG 22 -2.931 5.442 -1.106 151 HA ARG 22 HA ARG 22 -1.473 6.177 1.273 152 HB2 ARG 22 1HB ARG 22 -3.636 4.044 0.964 153 HB3 ARG 22 2HB ARG 22 -3.142 4.807 2.459 154 HG2 ARG 22 1HG ARG 22 -4.535 6.201 0.141 155 HG3 ARG 22 2HG ARG 22 -5.289 5.641 1.624 156 HD2 ARG 22 1HD ARG 22 -3.209 7.817 1.394 157 HD3 ARG 22 2HD ARG 22 -4.921 8.070 1.646 158 HE ARG 22 HE ARG 22 -2.929 7.233 3.639 159 HH11 ARG 22 2HH1 ARG 22 -6.376 7.493 3.046 160 HH12 ARG 22 1HH1 ARG 22 -6.760 7.392 4.742 161 HH21 ARG 22 2HH2 ARG 22 -3.497 7.115 5.776 162 HH22 ARG 22 1HH2 ARG 22 -5.172 7.189 6.239 163 H LEU 23 H LEU 23 -1.756 3.112 -0.497 164 HA LEU 23 HA LEU 23 -0.101 1.573 1.273 165 HB2 LEU 23 1HB LEU 23 -1.744 0.489 -0.068 166 HB3 LEU 23 2HB LEU 23 -1.148 1.232 -1.552 167 HG LEU 23 HG LEU 23 0.890 -0.078 -1.476 168 HD11 LEU 23 1HD1 LEU 23 -0.250 -1.555 0.928 169 HD12 LEU 23 2HD1 LEU 23 1.044 -0.353 1.053 170 HD13 LEU 23 3HD1 LEU 23 1.322 -1.806 0.119 171 HD21 LEU 23 3HD2 LEU 23 -1.069 -0.999 -2.622 172 HD22 LEU 23 1HD2 LEU 23 -1.615 -1.767 -1.114 173 HD23 LEU 23 2HD2 LEU 23 -0.108 -2.298 -1.893 174 H ARG 24 H ARG 24 0.609 3.247 -1.853 175 HA ARG 24 HA ARG 24 3.267 2.324 -2.220 176 HB2 ARG 24 1HB ARG 24 1.841 4.921 -2.933 177 HB3 ARG 24 2HB ARG 24 3.510 4.643 -3.417 178 HG2 ARG 24 1HG ARG 24 2.979 2.802 -4.817 179 HG3 ARG 24 2HG ARG 24 1.362 2.615 -4.136 180 HD2 ARG 24 1HD ARG 24 0.742 4.856 -5.039 181 HD3 ARG 24 2HD ARG 24 2.344 4.973 -5.795 182 HE ARG 24 HE ARG 24 1.185 2.536 -6.645 183 HH11 ARG 24 2HH1 ARG 24 0.564 5.949 -7.129 184 HH12 ARG 24 1HH1 ARG 24 -0.245 5.679 -8.649 185 HH21 ARG 24 2HH2 ARG 24 0.158 2.268 -8.602 186 HH22 ARG 24 1HH2 ARG 24 -0.453 3.650 -9.458 187 H SER 25 H SER 25 2.181 5.207 -0.456 188 HA SER 25 HA SER 25 4.852 5.926 0.431 189 HB2 SER 25 1HB SER 25 2.050 6.822 1.150 190 HB3 SER 25 2HB SER 25 3.510 7.521 1.905 191 HG SER 25 HG SER 25 2.819 8.703 0.049 192 H HIS 26 H HIS 26 2.230 3.994 1.957 193 HA HIS 26 HA HIS 26 3.330 3.760 4.572 194 HB2 HIS 26 1HB HIS 26 1.212 2.831 4.345 195 HB3 HIS 26 2HB HIS 26 1.577 2.041 2.828 196 HD1 HIS 26 1HD HIS 26 1.898 1.416 6.575 197 HD2 HIS 26 2HD HIS 26 2.713 -0.397 2.868 198 HE1 HIS 26 1HE HIS 26 2.355 -1.028 7.085 199 H ILE 27 H ILE 27 4.132 1.893 1.593 200 HA ILE 27 HA ILE 27 5.899 0.080 2.892 201 HB ILE 27 HB ILE 27 6.045 1.064 0.021 202 HG12 ILE 27 1HG1 ILE 27 4.666 -1.470 1.028 203 HG13 ILE 27 2HG1 ILE 27 3.799 0.022 0.740 204 HG21 ILE 27 1HG2 ILE 27 7.270 -0.965 -0.458 205 HG22 ILE 27 2HG2 ILE 27 8.090 -0.181 0.887 206 HG23 ILE 27 3HG2 ILE 27 7.031 -1.567 1.197 207 HD11 ILE 27 3HD1 ILE 27 4.604 0.033 -1.629 208 HD12 ILE 27 1HD1 ILE 27 5.291 -1.586 -1.353 209 HD13 ILE 27 2HD1 ILE 27 3.544 -1.333 -1.210 210 H ARG 28 H ARG 28 6.509 3.367 1.657 211 HA ARG 28 HA ARG 28 9.402 3.156 1.987 212 HB2 ARG 28 1HB ARG 28 7.959 5.791 1.891 213 HB3 ARG 28 2HB ARG 28 9.544 5.360 1.256 214 HG2 ARG 28 1HG ARG 28 6.818 4.675 0.147 215 HG3 ARG 28 2HG ARG 28 7.995 5.755 -0.577 216 HD2 ARG 28 1HD ARG 28 9.393 3.959 -1.260 217 HD3 ARG 28 2HD ARG 28 8.550 2.780 -0.231 218 HE ARG 28 HE ARG 28 6.508 3.530 -1.745 219 HH11 ARG 28 2HH1 ARG 28 9.699 2.414 -2.748 220 HH12 ARG 28 1HH1 ARG 28 9.092 1.844 -4.282 221 HH21 ARG 28 2HH2 ARG 28 5.845 2.802 -3.715 222 HH22 ARG 28 1HH2 ARG 28 6.969 2.030 -4.797 223 H GLU 29 H GLU 29 6.771 4.407 3.977 224 HA GLU 29 HA GLU 29 8.514 5.463 6.061 225 HB2 GLU 29 1HB GLU 29 5.527 4.894 5.927 226 HB3 GLU 29 2HB GLU 29 6.314 5.653 7.308 227 HG2 GLU 29 1HG GLU 29 6.343 6.794 4.478 228 HG3 GLU 29 2HG GLU 29 5.213 7.259 5.742 229 H VAL 30 H VAL 30 6.786 2.381 5.631 230 HA VAL 30 HA VAL 30 7.572 1.536 8.379 231 HB VAL 30 HB VAL 30 5.475 0.364 6.518 232 HG11 VAL 30 1HG1 VAL 30 6.196 -1.284 8.187 233 HG12 VAL 30 2HG1 VAL 30 6.005 -0.085 9.486 234 HG13 VAL 30 3HG1 VAL 30 4.591 -0.684 8.593 235 HG21 VAL 30 3HG2 VAL 30 3.857 1.479 8.088 236 HG22 VAL 30 1HG2 VAL 30 5.223 2.309 8.858 237 HG23 VAL 30 2HG2 VAL 30 4.814 2.633 7.160 238 H HIS 31 H HIS 31 7.996 0.529 5.006 239 HA HIS 31 HA HIS 31 9.602 -1.823 5.951 240 HB2 HIS 31 1HB HIS 31 8.232 -1.453 3.281 241 HB3 HIS 31 2HB HIS 31 9.047 -2.894 3.874 242 HD1 HIS 31 1HD HIS 31 7.727 -3.454 6.602 243 HD2 HIS 31 2HD HIS 31 5.710 -2.034 3.206 244 HE1 HIS 31 1HE HIS 31 5.296 -4.104 6.916 245 H GLY 32 H GLY 32 9.923 1.220 4.464 246 HA2 GLY 32 1HA GLY 32 11.798 2.368 3.904 247 HA3 GLY 32 2HA GLY 32 12.773 0.991 4.433 248 H ALA 33 H ALA 33 10.452 0.710 1.764 249 HA ALA 33 HA ALA 33 12.571 -0.049 -0.079 250 HB1 ALA 33 1HB ALA 33 10.815 -0.599 -1.588 251 HB2 ALA 33 2HB ALA 33 10.359 -1.164 0.036 252 HB3 ALA 33 3HB ALA 33 9.632 0.325 -0.645 253 H ALA 34 H ALA 34 13.383 2.225 0.464 254 HA ALA 34 HA ALA 34 12.921 4.045 -1.867 255 HB1 ALA 34 1HB ALA 34 13.080 5.961 -0.332 256 HB2 ALA 34 2HB ALA 34 11.756 4.887 0.153 257 HB3 ALA 34 3HB ALA 34 13.297 4.855 1.044 258 H GLN 35 H GLN 35 15.010 1.970 -1.067 259 HA GLN 35 HA GLN 35 17.492 3.301 -0.450 260 HB2 GLN 35 1HB GLN 35 17.076 0.528 -1.631 261 HB3 GLN 35 2HB GLN 35 18.514 1.124 -0.808 262 HG2 GLN 35 1HG GLN 35 15.780 0.598 0.431 263 HG3 GLN 35 2HG GLN 35 17.241 -0.338 0.670 264 HE21 GLN 35 1HE2 GLN 35 15.348 1.526 2.440 265 HE22 GLN 35 2HE2 GLN 35 16.555 2.400 3.389 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -18.659 -9.681 -8.477 2 H2 GLY 1 2H GLY 1 -17.279 -9.668 -7.591 3 H3 GLY 1 3H GLY 1 -18.314 -10.932 -7.475 4 HA2 GLY 1 1HA GLY 1 -17.894 -11.576 -9.753 5 HA3 GLY 1 2HA GLY 1 -16.794 -10.192 -9.895 6 H SER 2 H SER 2 -16.379 -13.195 -10.097 7 HA SER 2 HA SER 2 -14.999 -14.258 -7.908 8 HB2 SER 2 1HB SER 2 -14.468 -14.783 -10.857 9 HB3 SER 2 2HB SER 2 -14.009 -15.831 -9.500 10 HG SER 2 HG SER 2 -15.982 -16.494 -10.483 11 H SER 3 H SER 3 -12.994 -14.173 -7.103 12 HA SER 3 HA SER 3 -11.021 -13.303 -6.489 13 HB2 SER 3 1HB SER 3 -10.372 -13.283 -9.446 14 HB3 SER 3 2HB SER 3 -9.213 -13.258 -8.104 15 HG SER 3 HG SER 3 -9.534 -15.376 -8.935 16 H GLY 4 H GLY 4 -13.192 -11.258 -7.258 17 HA2 GLY 4 1HA GLY 4 -11.759 -8.809 -7.897 18 HA3 GLY 4 2HA GLY 4 -13.415 -8.953 -7.314 19 H SER 5 H SER 5 -11.884 -6.893 -6.436 20 HA SER 5 HA SER 5 -11.661 -7.406 -3.531 21 HB2 SER 5 1HB SER 5 -9.502 -6.252 -3.377 22 HB3 SER 5 2HB SER 5 -9.384 -7.730 -4.343 23 HG SER 5 HG SER 5 -8.302 -5.938 -5.316 24 H SER 6 H SER 6 -11.740 -5.547 -2.215 25 HA SER 6 HA SER 6 -13.121 -3.203 -3.432 26 HB2 SER 6 1HB SER 6 -14.197 -2.978 -1.219 27 HB3 SER 6 2HB SER 6 -14.520 -4.530 -2.007 28 HG SER 6 HG SER 6 -14.000 -4.892 0.136 29 H GLY 7 H GLY 7 -10.074 -3.765 -2.605 30 HA2 GLY 7 1HA GLY 7 -9.343 -1.038 -2.240 31 HA3 GLY 7 2HA GLY 7 -9.252 -1.858 -0.681 32 H TYR 8 H TYR 8 -6.960 -1.006 -1.239 33 HA TYR 8 HA TYR 8 -5.350 -2.916 -2.885 34 HB2 TYR 8 1HB TYR 8 -4.653 -0.194 -1.719 35 HB3 TYR 8 2HB TYR 8 -3.578 -1.203 -2.669 36 HD1 TYR 8 2HD TYR 8 -6.705 0.829 -2.811 37 HD2 TYR 8 1HD TYR 8 -3.713 -1.307 -5.074 38 HE1 TYR 8 2HE TYR 8 -7.584 1.829 -4.913 39 HE2 TYR 8 1HE TYR 8 -4.595 -0.299 -7.177 40 HH TYR 8 HH TYR 8 -7.372 1.968 -7.191 41 H VAL 9 H VAL 9 -3.575 -4.053 -1.953 42 HA VAL 9 HA VAL 9 -3.386 -3.967 1.012 43 HB VAL 9 HB VAL 9 -3.533 -6.547 -0.572 44 HG11 VAL 9 1HG1 VAL 9 -2.274 -6.671 1.574 45 HG12 VAL 9 2HG1 VAL 9 -3.634 -5.923 2.420 46 HG13 VAL 9 3HG1 VAL 9 -3.808 -7.536 1.702 47 HG21 VAL 9 3HG2 VAL 9 -5.780 -5.524 -0.591 48 HG22 VAL 9 1HG2 VAL 9 -5.739 -6.903 0.506 49 HG23 VAL 9 2HG2 VAL 9 -5.672 -5.256 1.165 50 H CYS 10 H CYS 10 -1.461 -4.233 1.880 51 HA CYS 10 HA CYS 10 0.964 -3.907 0.426 52 HB2 CYS 10 1HB CYS 10 0.416 -3.262 2.793 53 HB3 CYS 10 2HB CYS 10 0.492 -4.974 3.233 54 H ALA 11 H ALA 11 2.418 -5.277 -0.391 55 HA ALA 11 HA ALA 11 1.797 -8.153 -0.552 56 HB1 ALA 11 1HB ALA 11 3.640 -8.194 -2.171 57 HB2 ALA 11 2HB ALA 11 2.492 -6.901 -2.560 58 HB3 ALA 11 3HB ALA 11 4.047 -6.509 -1.790 59 H LEU 12 H LEU 12 3.401 -6.220 1.676 60 HA LEU 12 HA LEU 12 5.520 -8.223 2.312 61 HB2 LEU 12 1HB LEU 12 5.288 -5.321 3.181 62 HB3 LEU 12 2HB LEU 12 6.606 -6.433 3.479 63 HG LEU 12 HG LEU 12 6.885 -6.523 0.883 64 HD11 LEU 12 1HD1 LEU 12 4.865 -5.312 0.121 65 HD12 LEU 12 2HD1 LEU 12 6.292 -4.356 -0.241 66 HD13 LEU 12 3HD1 LEU 12 5.279 -3.931 1.152 67 HD21 LEU 12 3HD2 LEU 12 7.373 -3.980 2.432 68 HD22 LEU 12 1HD2 LEU 12 8.283 -4.499 0.994 69 HD23 LEU 12 2HD2 LEU 12 8.400 -5.425 2.505 70 H CYS 13 H CYS 13 3.251 -6.066 3.999 71 HA CYS 13 HA CYS 13 3.133 -7.988 6.282 72 HB2 CYS 13 1HB CYS 13 2.574 -6.243 7.755 73 HB3 CYS 13 2HB CYS 13 4.049 -5.860 6.885 74 H LEU 14 H LEU 14 1.256 -7.346 3.678 75 HA LEU 14 HA LEU 14 -0.852 -7.796 3.064 76 HB2 LEU 14 1HB LEU 14 -1.067 -9.593 5.465 77 HB3 LEU 14 2HB LEU 14 -1.927 -9.707 3.936 78 HG LEU 14 HG LEU 14 1.038 -10.230 4.407 79 HD11 LEU 14 1HD1 LEU 14 -1.232 -12.041 3.499 80 HD12 LEU 14 2HD1 LEU 14 -0.521 -12.001 5.130 81 HD13 LEU 14 3HD1 LEU 14 0.463 -12.511 3.749 82 HD21 LEU 14 3HD2 LEU 14 1.091 -10.973 2.014 83 HD22 LEU 14 1HD2 LEU 14 0.892 -9.235 2.196 84 HD23 LEU 14 2HD2 LEU 14 -0.513 -10.241 1.783 85 H LYS 15 H LYS 15 -0.512 -5.524 4.965 86 HA LYS 15 HA LYS 15 -3.107 -5.104 6.229 87 HB2 LYS 15 1HB LYS 15 -0.941 -4.121 6.993 88 HB3 LYS 15 2HB LYS 15 -0.881 -3.208 5.464 89 HG2 LYS 15 1HG LYS 15 -2.825 -1.898 6.093 90 HG3 LYS 15 2HG LYS 15 -3.169 -2.962 7.471 91 HD2 LYS 15 1HD LYS 15 -1.126 -2.220 8.604 92 HD3 LYS 15 2HD LYS 15 -0.689 -1.205 7.212 93 HE2 LYS 15 1HE LYS 15 -2.749 0.125 7.503 94 HE3 LYS 15 2HE LYS 15 -3.262 -0.922 8.832 95 HZ1 LYS 15 3HZ LYS 15 -1.313 -0.180 10.093 96 HZ2 LYS 15 1HZ LYS 15 -2.229 1.101 9.669 97 HZ3 LYS 15 2HZ LYS 15 -0.838 0.800 8.871 98 H LYS 16 H LYS 16 -4.837 -3.929 5.504 99 HA LYS 16 HA LYS 16 -4.997 -3.369 2.603 100 HB2 LYS 16 1HB LYS 16 -6.589 -4.903 3.727 101 HB3 LYS 16 2HB LYS 16 -7.215 -3.545 4.671 102 HG2 LYS 16 1HG LYS 16 -8.019 -2.441 2.635 103 HG3 LYS 16 2HG LYS 16 -7.222 -3.654 1.617 104 HD2 LYS 16 1HD LYS 16 -8.663 -5.417 2.691 105 HD3 LYS 16 2HD LYS 16 -9.515 -4.118 3.560 106 HE2 LYS 16 1HE LYS 16 -10.082 -3.082 1.344 107 HE3 LYS 16 2HE LYS 16 -9.286 -4.444 0.534 108 HZ1 LYS 16 3HZ LYS 16 -10.924 -5.927 1.558 109 HZ2 LYS 16 1HZ LYS 16 -11.719 -4.763 0.727 110 HZ3 LYS 16 2HZ LYS 16 -11.631 -4.687 2.353 111 H PHE 17 H PHE 17 -5.817 -1.562 1.701 112 HA PHE 17 HA PHE 17 -5.906 0.999 3.221 113 HB2 PHE 17 1HB PHE 17 -4.168 0.342 0.803 114 HB3 PHE 17 2HB PHE 17 -4.429 1.962 1.424 115 HD1 PHE 17 2HD PHE 17 -3.551 2.658 3.638 116 HD2 PHE 17 1HD PHE 17 -2.680 -1.225 1.971 117 HE1 PHE 17 2HE PHE 17 -1.747 2.342 5.314 118 HE2 PHE 17 1HE PHE 17 -0.878 -1.535 3.647 119 HZ PHE 17 HZ PHE 17 -0.439 0.231 5.338 120 H VAL 18 H VAL 18 -6.947 2.701 2.192 121 HA VAL 18 HA VAL 18 -9.199 2.015 0.544 122 HB VAL 18 HB VAL 18 -9.307 3.675 2.297 123 HG11 VAL 18 1HG1 VAL 18 -7.081 4.744 2.131 124 HG12 VAL 18 2HG1 VAL 18 -7.560 5.499 0.591 125 HG13 VAL 18 3HG1 VAL 18 -8.383 5.929 2.094 126 HG21 VAL 18 3HG2 VAL 18 -10.607 5.374 1.190 127 HG22 VAL 18 1HG2 VAL 18 -9.852 5.016 -0.374 128 HG23 VAL 18 2HG2 VAL 18 -10.906 3.812 0.407 129 H SER 19 H SER 19 -6.066 3.434 -0.246 130 HA SER 19 HA SER 19 -6.718 3.427 -3.152 131 HB2 SER 19 1HB SER 19 -5.562 5.813 -1.661 132 HB3 SER 19 2HB SER 19 -5.748 5.673 -3.417 133 HG SER 19 HG SER 19 -7.477 6.835 -2.483 134 H SER 20 H SER 20 -4.852 3.513 -4.547 135 HA SER 20 HA SER 20 -2.672 1.887 -3.770 136 HB2 SER 20 1HB SER 20 -1.674 2.620 -5.934 137 HB3 SER 20 2HB SER 20 -3.360 2.094 -6.078 138 HG SER 20 HG SER 20 -3.016 4.051 -7.205 139 H ILE 21 H ILE 21 -2.838 5.455 -4.007 140 HA ILE 21 HA ILE 21 -0.131 6.026 -3.414 141 HB ILE 21 HB ILE 21 -2.603 7.649 -2.691 142 HG12 ILE 21 1HG1 ILE 21 -2.682 7.214 -5.060 143 HG13 ILE 21 2HG1 ILE 21 -2.229 8.882 -4.787 144 HG21 ILE 21 1HG2 ILE 21 -1.030 9.609 -2.864 145 HG22 ILE 21 2HG2 ILE 21 -0.729 8.545 -1.491 146 HG23 ILE 21 3HG2 ILE 21 0.322 8.451 -2.918 147 HD11 ILE 21 3HD1 ILE 21 0.161 8.305 -5.283 148 HD12 ILE 21 1HD1 ILE 21 -0.348 6.631 -5.615 149 HD13 ILE 21 2HD1 ILE 21 -0.939 7.955 -6.628 150 H ARG 22 H ARG 22 -2.827 5.475 -1.168 151 HA ARG 22 HA ARG 22 -1.454 6.121 1.286 152 HB2 ARG 22 1HB ARG 22 -3.756 4.182 0.786 153 HB3 ARG 22 2HB ARG 22 -3.280 4.806 2.354 154 HG2 ARG 22 1HG ARG 22 -4.218 6.600 0.065 155 HG3 ARG 22 2HG ARG 22 -5.312 5.877 1.226 156 HD2 ARG 22 1HD ARG 22 -3.044 7.742 1.933 157 HD3 ARG 22 2HD ARG 22 -4.731 8.226 1.728 158 HE ARG 22 HE ARG 22 -4.772 6.170 3.630 159 HH11 ARG 22 2HH1 ARG 22 -3.412 9.395 3.486 160 HH12 ARG 22 1HH1 ARG 22 -3.494 9.606 5.213 161 HH21 ARG 22 2HH2 ARG 22 -4.841 6.503 5.830 162 HH22 ARG 22 1HH2 ARG 22 -4.287 8.009 6.496 163 H LEU 23 H LEU 23 -1.813 3.080 -0.524 164 HA LEU 23 HA LEU 23 -0.282 1.472 1.308 165 HB2 LEU 23 1HB LEU 23 -1.866 0.407 -0.123 166 HB3 LEU 23 2HB LEU 23 -1.206 1.171 -1.568 167 HG LEU 23 HG LEU 23 0.848 -0.131 -1.394 168 HD11 LEU 23 1HD1 LEU 23 1.184 -1.878 0.194 169 HD12 LEU 23 2HD1 LEU 23 -0.440 -1.663 0.901 170 HD13 LEU 23 3HD1 LEU 23 0.827 -0.453 1.140 171 HD21 LEU 23 3HD2 LEU 23 -1.024 -1.032 -2.684 172 HD22 LEU 23 1HD2 LEU 23 -1.655 -1.843 -1.230 173 HD23 LEU 23 2HD2 LEU 23 -0.096 -2.338 -1.925 174 H ARG 24 H ARG 24 0.591 3.120 -1.795 175 HA ARG 24 HA ARG 24 3.272 2.213 -1.997 176 HB2 ARG 24 1HB ARG 24 1.908 4.807 -2.817 177 HB3 ARG 24 2HB ARG 24 3.599 4.486 -3.202 178 HG2 ARG 24 1HG ARG 24 3.084 2.566 -4.541 179 HG3 ARG 24 2HG ARG 24 1.404 2.533 -4.005 180 HD2 ARG 24 1HD ARG 24 1.025 4.744 -5.086 181 HD3 ARG 24 2HD ARG 24 2.699 4.719 -5.684 182 HE ARG 24 HE ARG 24 1.430 2.306 -6.491 183 HH11 ARG 24 2HH1 ARG 24 1.232 5.711 -7.290 184 HH12 ARG 24 1HH1 ARG 24 0.588 5.394 -8.877 185 HH21 ARG 24 2HH2 ARG 24 0.626 1.974 -8.537 186 HH22 ARG 24 1HH2 ARG 24 0.267 3.332 -9.561 187 H SER 25 H SER 25 2.116 5.206 -0.434 188 HA SER 25 HA SER 25 4.665 5.955 0.627 189 HB2 SER 25 1HB SER 25 1.797 6.674 1.280 190 HB3 SER 25 2HB SER 25 3.182 7.413 2.135 191 HG SER 25 HG SER 25 2.511 8.644 0.300 192 H HIS 26 H HIS 26 2.050 3.932 2.102 193 HA HIS 26 HA HIS 26 3.204 3.620 4.681 194 HB2 HIS 26 1HB HIS 26 1.095 2.679 4.490 195 HB3 HIS 26 2HB HIS 26 1.412 1.939 2.939 196 HD1 HIS 26 1HD HIS 26 1.942 1.237 6.656 197 HD2 HIS 26 2HD HIS 26 2.573 -0.503 2.881 198 HE1 HIS 26 1HE HIS 26 2.441 -1.206 7.098 199 H ILE 27 H ILE 27 3.914 1.795 1.647 200 HA ILE 27 HA ILE 27 5.767 0.015 2.879 201 HB ILE 27 HB ILE 27 5.707 0.946 -0.017 202 HG12 ILE 27 1HG1 ILE 27 4.526 -1.618 1.151 203 HG13 ILE 27 2HG1 ILE 27 3.575 -0.181 0.844 204 HG21 ILE 27 1HG2 ILE 27 6.991 -1.079 -0.516 205 HG22 ILE 27 2HG2 ILE 27 7.867 -0.115 0.659 206 HG23 ILE 27 3HG2 ILE 27 6.960 -1.557 1.191 207 HD11 ILE 27 3HD1 ILE 27 3.279 -1.652 -1.017 208 HD12 ILE 27 1HD1 ILE 27 4.228 -0.257 -1.567 209 HD13 ILE 27 2HD1 ILE 27 5.022 -1.821 -1.254 210 H ARG 28 H ARG 28 6.290 3.259 1.456 211 HA ARG 28 HA ARG 28 9.175 3.149 1.849 212 HB2 ARG 28 1HB ARG 28 7.558 5.699 1.784 213 HB3 ARG 28 2HB ARG 28 9.237 5.436 1.327 214 HG2 ARG 28 1HG ARG 28 6.729 4.722 -0.197 215 HG3 ARG 28 2HG ARG 28 8.021 5.817 -0.663 216 HD2 ARG 28 1HD ARG 28 9.509 3.657 -0.710 217 HD3 ARG 28 2HD ARG 28 7.977 2.787 -0.641 218 HE ARG 28 HE ARG 28 7.515 3.366 -2.829 219 HH11 ARG 28 2HH1 ARG 28 10.298 5.287 -1.858 220 HH12 ARG 28 1HH1 ARG 28 10.420 6.047 -3.421 221 HH21 ARG 28 2HH2 ARG 28 7.817 4.295 -4.824 222 HH22 ARG 28 1HH2 ARG 28 9.091 5.452 -5.063 223 H GLU 29 H GLU 29 6.489 4.385 3.823 224 HA GLU 29 HA GLU 29 8.080 5.647 5.838 225 HB2 GLU 29 1HB GLU 29 5.223 4.611 5.766 226 HB3 GLU 29 2HB GLU 29 5.920 5.315 7.226 227 HG2 GLU 29 1HG GLU 29 6.425 7.396 6.068 228 HG3 GLU 29 2HG GLU 29 5.805 6.754 4.551 229 H VAL 30 H VAL 30 6.726 2.311 5.731 230 HA VAL 30 HA VAL 30 8.164 1.789 8.307 231 HB VAL 30 HB VAL 30 6.568 0.362 8.974 232 HG11 VAL 30 1HG1 VAL 30 4.968 2.535 7.556 233 HG12 VAL 30 2HG1 VAL 30 4.492 1.646 9.015 234 HG13 VAL 30 3HG1 VAL 30 5.873 2.761 9.070 235 HG21 VAL 30 3HG2 VAL 30 5.212 0.339 6.264 236 HG22 VAL 30 1HG2 VAL 30 6.084 -1.003 7.035 237 HG23 VAL 30 2HG2 VAL 30 4.597 -0.409 7.755 238 H HIS 31 H HIS 31 7.905 0.505 5.046 239 HA HIS 31 HA HIS 31 9.603 -1.825 5.878 240 HB2 HIS 31 1HB HIS 31 8.184 -1.397 3.238 241 HB3 HIS 31 2HB HIS 31 9.048 -2.827 3.768 242 HD1 HIS 31 1HD HIS 31 7.803 -3.581 6.462 243 HD2 HIS 31 2HD HIS 31 5.675 -2.028 3.198 244 HE1 HIS 31 1HE HIS 31 5.397 -4.302 6.795 245 H GLY 32 H GLY 32 9.797 1.267 4.485 246 HA2 GLY 32 1HA GLY 32 11.493 2.488 3.557 247 HA3 GLY 32 2HA GLY 32 12.590 1.385 4.402 248 H ALA 33 H ALA 33 10.428 0.432 1.744 249 HA ALA 33 HA ALA 33 12.396 -1.093 0.474 250 HB1 ALA 33 1HB ALA 33 10.703 -1.364 -1.300 251 HB2 ALA 33 2HB ALA 33 9.961 -1.444 0.307 252 HB3 ALA 33 3HB ALA 33 9.810 0.038 -0.676 253 H ALA 34 H ALA 34 11.628 2.305 -0.160 254 HA ALA 34 HA ALA 34 14.029 2.680 -1.693 255 HB1 ALA 34 1HB ALA 34 12.861 3.643 -3.699 256 HB2 ALA 34 2HB ALA 34 12.637 1.893 -3.544 257 HB3 ALA 34 3HB ALA 34 11.326 2.993 -3.082 258 H GLN 35 H GLN 35 14.745 4.651 -1.322 259 HA GLN 35 HA GLN 35 13.452 6.536 0.429 260 HB2 GLN 35 1HB GLN 35 15.962 6.800 -1.295 261 HB3 GLN 35 2HB GLN 35 15.424 7.960 -0.091 262 HG2 GLN 35 1HG GLN 35 17.054 6.725 1.029 263 HG3 GLN 35 2HG GLN 35 15.531 6.116 1.655 264 HE21 GLN 35 1HE2 GLN 35 17.099 4.310 2.358 265 HE22 GLN 35 2HE2 GLN 35 17.381 3.024 1.188 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -11.346 -15.504 -6.396 2 H2 GLY 1 2H GLY 1 -10.197 -16.652 -6.607 3 H3 GLY 1 3H GLY 1 -10.513 -15.577 -7.803 4 HA2 GLY 1 1HA GLY 1 -9.362 -14.916 -5.169 5 HA3 GLY 1 2HA GLY 1 -8.455 -15.002 -6.691 6 H SER 2 H SER 2 -8.216 -12.717 -5.364 7 HA SER 2 HA SER 2 -9.526 -10.725 -7.101 8 HB2 SER 2 1HB SER 2 -11.066 -10.875 -5.193 9 HB3 SER 2 2HB SER 2 -9.723 -10.621 -4.064 10 HG SER 2 HG SER 2 -10.968 -8.733 -4.570 11 H SER 3 H SER 3 -8.372 -8.825 -7.313 12 HA SER 3 HA SER 3 -5.553 -8.795 -6.492 13 HB2 SER 3 1HB SER 3 -7.186 -6.734 -8.016 14 HB3 SER 3 2HB SER 3 -5.421 -6.760 -7.838 15 HG SER 3 HG SER 3 -6.114 -7.688 -9.828 16 H GLY 4 H GLY 4 -8.477 -7.636 -5.091 17 HA2 GLY 4 1HA GLY 4 -7.578 -6.709 -2.702 18 HA3 GLY 4 2HA GLY 4 -7.299 -5.299 -3.727 19 H SER 5 H SER 5 -9.830 -7.553 -2.590 20 HA SER 5 HA SER 5 -12.075 -6.083 -3.580 21 HB2 SER 5 1HB SER 5 -11.918 -7.972 -1.203 22 HB3 SER 5 2HB SER 5 -13.402 -7.416 -2.004 23 HG SER 5 HG SER 5 -12.739 -9.449 -2.803 24 H SER 6 H SER 6 -12.892 -4.207 -2.961 25 HA SER 6 HA SER 6 -13.268 -2.267 -1.895 26 HB2 SER 6 1HB SER 6 -13.410 -3.960 0.613 27 HB3 SER 6 2HB SER 6 -14.110 -2.348 0.381 28 HG SER 6 HG SER 6 -15.652 -4.014 0.040 29 H GLY 7 H GLY 7 -10.307 -3.193 -1.930 30 HA2 GLY 7 1HA GLY 7 -9.150 -0.796 -1.230 31 HA3 GLY 7 2HA GLY 7 -9.055 -1.721 0.263 32 H TYR 8 H TYR 8 -6.868 -0.752 -1.183 33 HA TYR 8 HA TYR 8 -5.603 -2.932 -2.730 34 HB2 TYR 8 1HB TYR 8 -4.549 -0.203 -1.877 35 HB3 TYR 8 2HB TYR 8 -3.782 -1.309 -3.001 36 HD1 TYR 8 2HD TYR 8 -6.706 0.955 -2.527 37 HD2 TYR 8 1HD TYR 8 -4.439 -1.444 -5.309 38 HE1 TYR 8 2HE TYR 8 -7.906 2.025 -4.433 39 HE2 TYR 8 1HE TYR 8 -5.630 -0.366 -7.208 40 HH TYR 8 HH TYR 8 -7.215 1.165 -7.843 41 H VAL 9 H VAL 9 -3.749 -4.128 -1.997 42 HA VAL 9 HA VAL 9 -3.349 -4.001 0.963 43 HB VAL 9 HB VAL 9 -3.463 -6.533 -0.685 44 HG11 VAL 9 1HG1 VAL 9 -2.157 -6.741 1.400 45 HG12 VAL 9 2HG1 VAL 9 -3.462 -5.996 2.328 46 HG13 VAL 9 3HG1 VAL 9 -3.690 -7.589 1.574 47 HG21 VAL 9 3HG2 VAL 9 -5.594 -5.292 1.106 48 HG22 VAL 9 1HG2 VAL 9 -5.718 -5.549 -0.649 49 HG23 VAL 9 2HG2 VAL 9 -5.649 -6.937 0.435 50 H CYS 10 H CYS 10 -1.425 -4.215 1.836 51 HA CYS 10 HA CYS 10 1.025 -3.845 0.447 52 HB2 CYS 10 1HB CYS 10 0.466 -3.256 2.795 53 HB3 CYS 10 2HB CYS 10 0.488 -4.980 3.204 54 H ALA 11 H ALA 11 2.512 -5.188 -0.371 55 HA ALA 11 HA ALA 11 1.897 -8.056 -0.652 56 HB1 ALA 11 1HB ALA 11 2.648 -6.735 -2.593 57 HB2 ALA 11 2HB ALA 11 4.181 -6.371 -1.768 58 HB3 ALA 11 3HB ALA 11 3.785 -8.042 -2.220 59 H LEU 12 H LEU 12 3.428 -6.218 1.699 60 HA LEU 12 HA LEU 12 5.515 -8.262 2.327 61 HB2 LEU 12 1HB LEU 12 5.334 -5.371 3.243 62 HB3 LEU 12 2HB LEU 12 6.623 -6.517 3.534 63 HG LEU 12 HG LEU 12 6.922 -6.563 0.934 64 HD11 LEU 12 1HD1 LEU 12 6.404 -4.352 -0.140 65 HD12 LEU 12 2HD1 LEU 12 5.416 -3.912 1.264 66 HD13 LEU 12 3HD1 LEU 12 4.935 -5.250 0.212 67 HD21 LEU 12 3HD2 LEU 12 8.469 -5.561 2.580 68 HD22 LEU 12 1HD2 LEU 12 7.475 -4.091 2.585 69 HD23 LEU 12 2HD2 LEU 12 8.367 -4.556 1.118 70 H CYS 13 H CYS 13 3.267 -6.076 4.011 71 HA CYS 13 HA CYS 13 3.092 -8.015 6.272 72 HB2 CYS 13 1HB CYS 13 2.527 -6.278 7.752 73 HB3 CYS 13 2HB CYS 13 4.021 -5.907 6.913 74 H LEU 14 H LEU 14 1.278 -7.341 3.642 75 HA LEU 14 HA LEU 14 -0.811 -7.800 2.972 76 HB2 LEU 14 1HB LEU 14 -1.043 -9.639 5.341 77 HB3 LEU 14 2HB LEU 14 -1.868 -9.748 3.791 78 HG LEU 14 HG LEU 14 1.098 -10.215 4.318 79 HD11 LEU 14 1HD1 LEU 14 -0.435 -12.026 4.995 80 HD12 LEU 14 2HD1 LEU 14 0.585 -12.504 3.629 81 HD13 LEU 14 3HD1 LEU 14 -1.116 -12.066 3.354 82 HD21 LEU 14 3HD2 LEU 14 -0.405 -10.241 1.665 83 HD22 LEU 14 1HD2 LEU 14 1.213 -10.935 1.922 84 HD23 LEU 14 2HD2 LEU 14 0.968 -9.202 2.111 85 H LYS 15 H LYS 15 -0.573 -5.537 4.868 86 HA LYS 15 HA LYS 15 -3.214 -5.213 6.093 87 HB2 LYS 15 1HB LYS 15 -1.081 -4.236 6.968 88 HB3 LYS 15 2HB LYS 15 -0.993 -3.252 5.485 89 HG2 LYS 15 1HG LYS 15 -2.959 -1.995 6.113 90 HG3 LYS 15 2HG LYS 15 -3.355 -3.133 7.416 91 HD2 LYS 15 1HD LYS 15 -1.387 -2.442 8.687 92 HD3 LYS 15 2HD LYS 15 -0.863 -1.374 7.370 93 HE2 LYS 15 1HE LYS 15 -2.935 -0.041 7.603 94 HE3 LYS 15 2HE LYS 15 -3.512 -1.131 8.868 95 HZ1 LYS 15 3HZ LYS 15 -2.499 0.857 9.819 96 HZ2 LYS 15 1HZ LYS 15 -1.078 0.565 9.074 97 HZ3 LYS 15 2HZ LYS 15 -1.617 -0.449 10.239 98 H LYS 16 H LYS 16 -4.937 -4.016 5.345 99 HA LYS 16 HA LYS 16 -4.970 -3.293 2.475 100 HB2 LYS 16 1HB LYS 16 -6.594 -4.903 3.413 101 HB3 LYS 16 2HB LYS 16 -7.266 -3.631 4.437 102 HG2 LYS 16 1HG LYS 16 -7.988 -2.357 2.487 103 HG3 LYS 16 2HG LYS 16 -7.169 -3.471 1.386 104 HD2 LYS 16 1HD LYS 16 -9.458 -4.245 3.246 105 HD3 LYS 16 2HD LYS 16 -9.661 -3.776 1.550 106 HE2 LYS 16 1HE LYS 16 -8.190 -5.655 0.846 107 HE3 LYS 16 2HE LYS 16 -8.027 -6.159 2.537 108 HZ1 LYS 16 3HZ LYS 16 -9.762 -7.425 1.436 109 HZ2 LYS 16 1HZ LYS 16 -10.563 -6.066 0.995 110 HZ3 LYS 16 2HZ LYS 16 -10.459 -6.487 2.579 111 H PHE 17 H PHE 17 -5.620 -1.391 1.651 112 HA PHE 17 HA PHE 17 -5.805 1.026 3.392 113 HB2 PHE 17 1HB PHE 17 -4.067 0.559 0.929 114 HB3 PHE 17 2HB PHE 17 -4.306 2.119 1.701 115 HD1 PHE 17 2HD PHE 17 -3.457 2.580 3.986 116 HD2 PHE 17 1HD PHE 17 -2.598 -1.131 1.952 117 HE1 PHE 17 2HE PHE 17 -1.697 2.064 5.660 118 HE2 PHE 17 1HE PHE 17 -0.839 -1.631 3.621 119 HZ PHE 17 HZ PHE 17 -0.418 -0.060 5.493 120 H VAL 18 H VAL 18 -6.781 2.833 2.519 121 HA VAL 18 HA VAL 18 -9.113 2.413 0.930 122 HB VAL 18 HB VAL 18 -8.957 4.009 2.756 123 HG11 VAL 18 1HG1 VAL 18 -6.682 4.890 2.490 124 HG12 VAL 18 2HG1 VAL 18 -7.144 5.711 0.982 125 HG13 VAL 18 3HG1 VAL 18 -7.856 6.200 2.525 126 HG21 VAL 18 3HG2 VAL 18 -10.670 4.359 0.989 127 HG22 VAL 18 1HG2 VAL 18 -10.193 5.842 1.833 128 HG23 VAL 18 2HG2 VAL 18 -9.581 5.527 0.201 129 H SER 19 H SER 19 -5.896 3.379 -0.041 130 HA SER 19 HA SER 19 -6.717 3.609 -2.876 131 HB2 SER 19 1HB SER 19 -6.970 5.879 -2.127 132 HB3 SER 19 2HB SER 19 -5.417 5.840 -1.281 133 HG SER 19 HG SER 19 -5.493 6.871 -3.442 134 H SER 20 H SER 20 -4.989 3.405 -4.350 135 HA SER 20 HA SER 20 -2.781 1.726 -3.629 136 HB2 SER 20 1HB SER 20 -1.990 2.220 -5.922 137 HB3 SER 20 2HB SER 20 -3.689 1.719 -5.870 138 HG SER 20 HG SER 20 -3.379 3.553 -7.220 139 H ILE 21 H ILE 21 -3.153 5.258 -3.804 140 HA ILE 21 HA ILE 21 -0.346 5.916 -3.615 141 HB ILE 21 HB ILE 21 -2.792 7.503 -2.747 142 HG12 ILE 21 1HG1 ILE 21 -3.005 6.998 -5.102 143 HG13 ILE 21 2HG1 ILE 21 -2.599 8.688 -4.888 144 HG21 ILE 21 1HG2 ILE 21 -0.859 8.458 -1.693 145 HG22 ILE 21 2HG2 ILE 21 0.096 8.347 -3.184 146 HG23 ILE 21 3HG2 ILE 21 -1.267 9.487 -3.067 147 HD11 ILE 21 3HD1 ILE 21 -0.226 8.189 -5.528 148 HD12 ILE 21 1HD1 ILE 21 -0.686 6.488 -5.796 149 HD13 ILE 21 2HD1 ILE 21 -1.394 7.767 -6.791 150 H ARG 22 H ARG 22 -2.850 5.399 -1.132 151 HA ARG 22 HA ARG 22 -1.176 5.999 1.162 152 HB2 ARG 22 1HB ARG 22 -3.657 4.240 0.909 153 HB3 ARG 22 2HB ARG 22 -2.933 4.733 2.428 154 HG2 ARG 22 1HG ARG 22 -4.141 6.619 0.353 155 HG3 ARG 22 2HG ARG 22 -4.929 6.055 1.819 156 HD2 ARG 22 1HD ARG 22 -2.513 7.831 1.640 157 HD3 ARG 22 2HD ARG 22 -4.126 8.326 2.099 158 HE ARG 22 HE ARG 22 -2.136 6.961 3.770 159 HH11 ARG 22 2HH1 ARG 22 -5.544 7.770 3.571 160 HH12 ARG 22 1HH1 ARG 22 -5.787 7.527 5.279 161 HH21 ARG 22 2HH2 ARG 22 -2.521 6.678 5.931 162 HH22 ARG 22 1HH2 ARG 22 -4.118 6.930 6.572 163 H LEU 23 H LEU 23 -1.852 3.006 -0.622 164 HA LEU 23 HA LEU 23 -0.261 1.247 1.000 165 HB2 LEU 23 1HB LEU 23 -1.896 0.297 -0.415 166 HB3 LEU 23 2HB LEU 23 -1.369 1.220 -1.817 167 HG LEU 23 HG LEU 23 0.680 -0.095 -2.004 168 HD11 LEU 23 1HD1 LEU 23 1.019 -0.724 0.393 169 HD12 LEU 23 2HD1 LEU 23 1.026 -2.106 -0.693 170 HD13 LEU 23 3HD1 LEU 23 -0.416 -1.756 0.302 171 HD21 LEU 23 3HD2 LEU 23 -0.342 -2.209 -2.695 172 HD22 LEU 23 1HD2 LEU 23 -1.355 -0.836 -3.171 173 HD23 LEU 23 2HD2 LEU 23 -1.800 -1.829 -1.759 174 H ARG 24 H ARG 24 0.534 3.034 -2.057 175 HA ARG 24 HA ARG 24 3.213 2.105 -2.274 176 HB2 ARG 24 1HB ARG 24 1.842 4.685 -3.119 177 HB3 ARG 24 2HB ARG 24 3.523 4.357 -3.539 178 HG2 ARG 24 1HG ARG 24 2.988 2.542 -4.959 179 HG3 ARG 24 2HG ARG 24 1.376 2.344 -4.271 180 HD2 ARG 24 1HD ARG 24 1.067 3.412 -6.397 181 HD3 ARG 24 2HD ARG 24 0.747 4.596 -5.133 182 HE ARG 24 HE ARG 24 2.589 5.852 -5.793 183 HH11 ARG 24 2HH1 ARG 24 2.756 2.812 -7.533 184 HH12 ARG 24 1HH1 ARG 24 4.016 3.389 -8.590 185 HH21 ARG 24 2HH2 ARG 24 4.194 6.513 -7.168 186 HH22 ARG 24 1HH2 ARG 24 4.803 5.427 -8.380 187 H SER 25 H SER 25 1.994 5.014 -0.657 188 HA SER 25 HA SER 25 4.565 5.877 0.330 189 HB2 SER 25 1HB SER 25 2.548 7.324 0.036 190 HB3 SER 25 2HB SER 25 1.779 6.501 1.408 191 HG SER 25 HG SER 25 2.858 8.476 1.988 192 H HIS 26 H HIS 26 2.032 3.813 1.837 193 HA HIS 26 HA HIS 26 3.057 3.601 4.454 194 HB2 HIS 26 1HB HIS 26 1.004 2.547 4.136 195 HB3 HIS 26 2HB HIS 26 1.491 1.764 2.650 196 HD1 HIS 26 1HD HIS 26 1.899 1.267 6.438 197 HD2 HIS 26 2HD HIS 26 2.591 -0.650 2.760 198 HE1 HIS 26 1HE HIS 26 2.415 -1.150 7.004 199 H ILE 27 H ILE 27 4.032 1.711 1.568 200 HA ILE 27 HA ILE 27 5.825 -0.017 2.921 201 HB ILE 27 HB ILE 27 6.005 0.954 0.049 202 HG12 ILE 27 1HG1 ILE 27 4.657 -1.609 1.019 203 HG13 ILE 27 2HG1 ILE 27 3.764 -0.133 0.729 204 HG21 ILE 27 1HG2 ILE 27 8.052 -0.232 0.941 205 HG22 ILE 27 2HG2 ILE 27 7.024 -1.648 1.253 206 HG23 ILE 27 3HG2 ILE 27 7.269 -1.053 -0.403 207 HD11 ILE 27 3HD1 ILE 27 3.570 -1.464 -1.238 208 HD12 ILE 27 1HD1 ILE 27 4.620 -0.080 -1.624 209 HD13 ILE 27 2HD1 ILE 27 5.324 -1.691 -1.349 210 H ARG 28 H ARG 28 6.331 3.277 1.702 211 HA ARG 28 HA ARG 28 9.230 3.202 2.085 212 HB2 ARG 28 1HB ARG 28 7.669 5.760 1.977 213 HB3 ARG 28 2HB ARG 28 9.272 5.391 1.345 214 HG2 ARG 28 1HG ARG 28 6.578 4.581 0.220 215 HG3 ARG 28 2HG ARG 28 7.692 5.745 -0.482 216 HD2 ARG 28 1HD ARG 28 9.219 4.054 -1.141 217 HD3 ARG 28 2HD ARG 28 8.419 2.811 -0.153 218 HE ARG 28 HE ARG 28 6.397 3.493 -1.767 219 HH11 ARG 28 2HH1 ARG 28 9.656 2.389 -2.455 220 HH12 ARG 28 1HH1 ARG 28 9.195 1.708 -3.999 221 HH21 ARG 28 2HH2 ARG 28 5.893 2.643 -3.757 222 HH22 ARG 28 1HH2 ARG 28 7.108 1.823 -4.694 223 H GLU 29 H GLU 29 6.453 4.328 3.948 224 HA GLU 29 HA GLU 29 7.940 5.660 6.017 225 HB2 GLU 29 1HB GLU 29 5.104 4.576 5.869 226 HB3 GLU 29 2HB GLU 29 5.717 5.455 7.264 227 HG2 GLU 29 1HG GLU 29 5.678 6.606 4.440 228 HG3 GLU 29 2HG GLU 29 4.398 6.835 5.624 229 H VAL 30 H VAL 30 6.711 2.279 5.824 230 HA VAL 30 HA VAL 30 8.101 1.772 8.434 231 HB VAL 30 HB VAL 30 6.544 0.208 9.015 232 HG11 VAL 30 1HG1 VAL 30 5.865 2.594 9.305 233 HG12 VAL 30 2HG1 VAL 30 4.933 2.475 7.793 234 HG13 VAL 30 3HG1 VAL 30 4.482 1.484 9.197 235 HG21 VAL 30 3HG2 VAL 30 6.044 -0.971 6.947 236 HG22 VAL 30 1HG2 VAL 30 4.568 -0.461 7.750 237 HG23 VAL 30 2HG2 VAL 30 5.150 0.434 6.331 238 H HIS 31 H HIS 31 7.876 0.516 5.157 239 HA HIS 31 HA HIS 31 9.624 -1.787 5.968 240 HB2 HIS 31 1HB HIS 31 8.214 -1.399 3.322 241 HB3 HIS 31 2HB HIS 31 9.086 -2.814 3.879 242 HD1 HIS 31 1HD HIS 31 7.807 -3.590 6.541 243 HD2 HIS 31 2HD HIS 31 5.716 -2.054 3.246 244 HE1 HIS 31 1HE HIS 31 5.407 -4.360 6.818 245 H GLY 32 H GLY 32 9.804 1.303 4.624 246 HA2 GLY 32 1HA GLY 32 11.541 2.575 3.912 247 HA3 GLY 32 2HA GLY 32 12.625 1.334 4.553 248 H ALA 33 H ALA 33 10.408 0.679 1.847 249 HA ALA 33 HA ALA 33 12.628 -0.139 0.172 250 HB1 ALA 33 1HB ALA 33 10.911 -0.780 -1.409 251 HB2 ALA 33 2HB ALA 33 10.425 -1.283 0.222 252 HB3 ALA 33 3HB ALA 33 9.690 0.157 -0.533 253 H ALA 34 H ALA 34 13.959 1.577 -0.349 254 HA ALA 34 HA ALA 34 13.072 3.355 -2.492 255 HB1 ALA 34 1HB ALA 34 13.930 5.384 -1.349 256 HB2 ALA 34 2HB ALA 34 12.543 4.692 -0.489 257 HB3 ALA 34 3HB ALA 34 14.188 4.443 0.136 258 H GLN 35 H GLN 35 14.575 3.339 -3.961 259 HA GLN 35 HA GLN 35 17.330 2.362 -3.428 260 HB2 GLN 35 1HB GLN 35 15.862 2.778 -6.058 261 HB3 GLN 35 2HB GLN 35 17.467 2.083 -5.867 262 HG2 GLN 35 1HG GLN 35 14.849 0.884 -4.852 263 HG3 GLN 35 2HG GLN 35 15.795 0.336 -6.227 264 HE21 GLN 35 1HE2 GLN 35 18.159 -0.388 -5.671 265 HE22 GLN 35 2HE2 GLN 35 18.330 -1.250 -4.147 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -26.260 -6.219 1.230 2 H2 GLY 1 2H GLY 1 -26.574 -7.800 1.514 3 H3 GLY 1 3H GLY 1 -27.646 -6.892 0.670 4 HA2 GLY 1 1HA GLY 1 -26.422 -8.325 -0.825 5 HA3 GLY 1 2HA GLY 1 -26.103 -6.609 -1.144 6 H SER 2 H SER 2 -24.415 -8.911 -1.782 7 HA SER 2 HA SER 2 -22.218 -9.163 0.026 8 HB2 SER 2 1HB SER 2 -22.288 -9.632 -2.977 9 HB3 SER 2 2HB SER 2 -21.069 -10.244 -1.843 10 HG SER 2 HG SER 2 -22.702 -11.805 -2.302 11 H SER 3 H SER 3 -20.132 -8.320 0.017 12 HA SER 3 HA SER 3 -19.804 -5.597 -0.993 13 HB2 SER 3 1HB SER 3 -17.627 -5.724 0.222 14 HB3 SER 3 2HB SER 3 -19.058 -6.022 1.223 15 HG SER 3 HG SER 3 -17.379 -7.545 1.624 16 H GLY 4 H GLY 4 -18.088 -4.844 -2.279 17 HA2 GLY 4 1HA GLY 4 -17.270 -6.591 -4.503 18 HA3 GLY 4 2HA GLY 4 -16.991 -4.862 -4.345 19 H SER 5 H SER 5 -14.987 -6.278 -5.327 20 HA SER 5 HA SER 5 -13.036 -7.144 -3.350 21 HB2 SER 5 1HB SER 5 -12.700 -6.627 -6.323 22 HB3 SER 5 2HB SER 5 -11.568 -7.492 -5.265 23 HG SER 5 HG SER 5 -12.950 -8.921 -6.425 24 H SER 6 H SER 6 -13.760 -4.649 -2.583 25 HA SER 6 HA SER 6 -12.290 -2.494 -3.748 26 HB2 SER 6 1HB SER 6 -13.669 -2.650 -1.045 27 HB3 SER 6 2HB SER 6 -13.204 -1.170 -1.908 28 HG SER 6 HG SER 6 -15.406 -1.694 -2.259 29 H GLY 7 H GLY 7 -10.707 -1.147 -2.883 30 HA2 GLY 7 1HA GLY 7 -8.948 -0.440 -1.565 31 HA3 GLY 7 2HA GLY 7 -9.189 -1.789 -0.471 32 H TYR 8 H TYR 8 -6.730 -1.060 -0.929 33 HA TYR 8 HA TYR 8 -5.466 -3.021 -2.824 34 HB2 TYR 8 1HB TYR 8 -4.451 -0.300 -1.910 35 HB3 TYR 8 2HB TYR 8 -3.603 -1.418 -2.965 36 HD1 TYR 8 2HD TYR 8 -6.643 0.748 -2.716 37 HD2 TYR 8 1HD TYR 8 -4.010 -1.470 -5.318 38 HE1 TYR 8 2HE TYR 8 -7.742 1.771 -4.690 39 HE2 TYR 8 1HE TYR 8 -5.094 -0.420 -7.299 40 HH TYR 8 HH TYR 8 -7.794 1.921 -6.985 41 H VAL 9 H VAL 9 -3.680 -4.234 -2.009 42 HA VAL 9 HA VAL 9 -3.373 -4.100 0.959 43 HB VAL 9 HB VAL 9 -3.464 -6.640 -0.683 44 HG11 VAL 9 1HG1 VAL 9 -3.473 -6.113 2.327 45 HG12 VAL 9 2HG1 VAL 9 -3.693 -7.702 1.565 46 HG13 VAL 9 3HG1 VAL 9 -2.156 -6.853 1.399 47 HG21 VAL 9 3HG2 VAL 9 -5.714 -5.653 -0.662 48 HG22 VAL 9 1HG2 VAL 9 -5.658 -7.031 0.437 49 HG23 VAL 9 2HG2 VAL 9 -5.599 -5.380 1.092 50 H CYS 10 H CYS 10 -1.455 -4.281 1.873 51 HA CYS 10 HA CYS 10 0.965 -3.892 0.414 52 HB2 CYS 10 1HB CYS 10 0.403 -3.105 2.705 53 HB3 CYS 10 2HB CYS 10 0.451 -4.780 3.276 54 H ALA 11 H ALA 11 2.209 -5.281 -0.631 55 HA ALA 11 HA ALA 11 1.774 -8.145 -0.540 56 HB1 ALA 11 1HB ALA 11 3.978 -6.496 -1.854 57 HB2 ALA 11 2HB ALA 11 3.607 -8.200 -2.182 58 HB3 ALA 11 3HB ALA 11 2.423 -6.945 -2.590 59 H LEU 12 H LEU 12 3.388 -6.157 1.628 60 HA LEU 12 HA LEU 12 5.506 -8.138 2.319 61 HB2 LEU 12 1HB LEU 12 5.207 -5.227 3.144 62 HB3 LEU 12 2HB LEU 12 6.514 -6.318 3.546 63 HG LEU 12 HG LEU 12 6.974 -6.492 1.013 64 HD11 LEU 12 1HD1 LEU 12 5.005 -5.417 0.002 65 HD12 LEU 12 2HD1 LEU 12 6.393 -4.376 -0.255 66 HD13 LEU 12 3HD1 LEU 12 5.223 -3.978 1.017 67 HD21 LEU 12 3HD2 LEU 12 7.252 -3.826 2.413 68 HD22 LEU 12 1HD2 LEU 12 8.300 -4.420 1.105 69 HD23 LEU 12 2HD2 LEU 12 8.312 -5.224 2.687 70 H CYS 13 H CYS 13 3.158 -6.014 3.935 71 HA CYS 13 HA CYS 13 3.064 -7.916 6.234 72 HB2 CYS 13 1HB CYS 13 2.527 -6.207 7.716 73 HB3 CYS 13 2HB CYS 13 3.972 -5.791 6.814 74 H LEU 14 H LEU 14 1.138 -7.353 3.636 75 HA LEU 14 HA LEU 14 -0.960 -7.873 3.066 76 HB2 LEU 14 1HB LEU 14 -0.633 -9.745 5.409 77 HB3 LEU 14 2HB LEU 14 -2.039 -9.774 4.378 78 HG LEU 14 HG LEU 14 -0.506 -11.503 3.771 79 HD11 LEU 14 1HD1 LEU 14 -0.570 -9.427 1.549 80 HD12 LEU 14 2HD1 LEU 14 -1.931 -10.473 2.018 81 HD13 LEU 14 3HD1 LEU 14 -0.439 -11.187 1.383 82 HD21 LEU 14 3HD2 LEU 14 1.652 -10.375 4.357 83 HD22 LEU 14 1HD2 LEU 14 1.521 -9.443 2.844 84 HD23 LEU 14 2HD2 LEU 14 1.647 -11.206 2.791 85 H LYS 15 H LYS 15 -0.679 -5.581 4.941 86 HA LYS 15 HA LYS 15 -3.349 -5.239 6.107 87 HB2 LYS 15 1HB LYS 15 -1.330 -4.125 7.041 88 HB3 LYS 15 2HB LYS 15 -1.104 -3.304 5.479 89 HG2 LYS 15 1HG LYS 15 -3.159 -2.080 5.760 90 HG3 LYS 15 2HG LYS 15 -3.616 -3.032 7.191 91 HD2 LYS 15 1HD LYS 15 -1.703 -2.041 8.417 92 HD3 LYS 15 2HD LYS 15 -1.279 -1.085 6.994 93 HE2 LYS 15 1HE LYS 15 -3.884 -0.960 8.585 94 HE3 LYS 15 2HE LYS 15 -2.580 0.225 8.608 95 HZ1 LYS 15 3HZ LYS 15 -4.372 0.962 7.159 96 HZ2 LYS 15 1HZ LYS 15 -4.308 -0.393 6.249 97 HZ3 LYS 15 2HZ LYS 15 -3.060 0.662 6.228 98 H LYS 16 H LYS 16 -5.105 -4.209 5.217 99 HA LYS 16 HA LYS 16 -5.014 -3.370 2.392 100 HB2 LYS 16 1HB LYS 16 -6.780 -4.887 3.172 101 HB3 LYS 16 2HB LYS 16 -7.383 -3.643 4.273 102 HG2 LYS 16 1HG LYS 16 -7.995 -2.200 2.442 103 HG3 LYS 16 2HG LYS 16 -7.170 -3.215 1.255 104 HD2 LYS 16 1HD LYS 16 -9.539 -4.174 2.909 105 HD3 LYS 16 2HD LYS 16 -9.699 -3.352 1.348 106 HE2 LYS 16 1HE LYS 16 -8.121 -5.134 0.385 107 HE3 LYS 16 2HE LYS 16 -8.352 -6.029 1.896 108 HZ1 LYS 16 3HZ LYS 16 -10.767 -6.009 1.405 109 HZ2 LYS 16 1HZ LYS 16 -9.938 -6.736 0.198 110 HZ3 LYS 16 2HZ LYS 16 -10.490 -5.209 -0.004 111 H PHE 17 H PHE 17 -5.652 -1.455 1.595 112 HA PHE 17 HA PHE 17 -5.835 0.975 3.314 113 HB2 PHE 17 1HB PHE 17 -4.109 0.503 0.842 114 HB3 PHE 17 2HB PHE 17 -4.406 2.082 1.547 115 HD1 PHE 17 1HD PHE 17 -2.740 -1.188 2.081 116 HD2 PHE 17 2HD PHE 17 -3.346 2.805 3.600 117 HE1 PHE 17 1HE PHE 17 -0.933 -1.541 3.744 118 HE2 PHE 17 2HE PHE 17 -1.503 2.466 5.230 119 HZ PHE 17 HZ PHE 17 -0.346 0.266 5.336 120 H VAL 18 H VAL 18 -6.896 2.741 2.371 121 HA VAL 18 HA VAL 18 -9.177 2.179 0.739 122 HB VAL 18 HB VAL 18 -9.121 3.856 2.506 123 HG11 VAL 18 1HG1 VAL 18 -7.361 5.571 0.686 124 HG12 VAL 18 2HG1 VAL 18 -8.105 6.069 2.212 125 HG13 VAL 18 3HG1 VAL 18 -6.873 4.812 2.219 126 HG21 VAL 18 3HG2 VAL 18 -9.764 5.196 -0.144 127 HG22 VAL 18 1HG2 VAL 18 -10.814 4.035 0.702 128 HG23 VAL 18 2HG2 VAL 18 -10.416 5.587 1.456 129 H SER 19 H SER 19 -5.976 3.347 -0.126 130 HA SER 19 HA SER 19 -6.659 3.298 -3.004 131 HB2 SER 19 1HB SER 19 -7.116 5.596 -2.434 132 HB3 SER 19 2HB SER 19 -5.587 5.741 -1.553 133 HG SER 19 HG SER 19 -5.647 6.587 -3.779 134 H SER 20 H SER 20 -4.880 3.095 -4.362 135 HA SER 20 HA SER 20 -2.601 1.627 -3.514 136 HB2 SER 20 1HB SER 20 -3.513 1.745 -5.843 137 HB3 SER 20 2HB SER 20 -2.914 3.405 -5.967 138 HG SER 20 HG SER 20 -1.428 0.992 -5.665 139 H ILE 21 H ILE 21 -3.112 5.165 -3.809 140 HA ILE 21 HA ILE 21 -0.322 5.867 -3.536 141 HB ILE 21 HB ILE 21 -2.911 7.413 -3.284 142 HG12 ILE 21 1HG1 ILE 21 -2.009 8.648 -5.225 143 HG13 ILE 21 2HG1 ILE 21 -0.540 7.677 -5.200 144 HG21 ILE 21 1HG2 ILE 21 -0.093 8.474 -2.811 145 HG22 ILE 21 2HG2 ILE 21 -1.519 9.495 -3.113 146 HG23 ILE 21 3HG2 ILE 21 -1.453 8.497 -1.664 147 HD11 ILE 21 3HD1 ILE 21 -2.182 7.076 -6.992 148 HD12 ILE 21 1HD1 ILE 21 -1.759 5.715 -5.951 149 HD13 ILE 21 2HD1 ILE 21 -3.322 6.552 -5.736 150 H ARG 22 H ARG 22 -2.916 5.427 -1.124 151 HA ARG 22 HA ARG 22 -1.343 6.238 1.187 152 HB2 ARG 22 1HB ARG 22 -3.662 4.257 1.023 153 HB3 ARG 22 2HB ARG 22 -3.011 4.958 2.491 154 HG2 ARG 22 1HG ARG 22 -4.561 6.371 0.299 155 HG3 ARG 22 2HG ARG 22 -5.059 6.068 1.960 156 HD2 ARG 22 1HD ARG 22 -2.914 7.971 1.034 157 HD3 ARG 22 2HD ARG 22 -4.512 8.399 1.646 158 HE ARG 22 HE ARG 22 -3.337 6.890 3.688 159 HH11 ARG 22 2HH1 ARG 22 -2.636 9.964 2.161 160 HH12 ARG 22 1HH1 ARG 22 -1.865 10.599 3.589 161 HH21 ARG 22 2HH2 ARG 22 -2.332 7.758 5.469 162 HH22 ARG 22 1HH2 ARG 22 -1.705 9.378 5.409 163 H LEU 23 H LEU 23 -1.797 3.137 -0.484 164 HA LEU 23 HA LEU 23 -0.225 1.566 1.322 165 HB2 LEU 23 1HB LEU 23 -1.848 0.503 -0.055 166 HB3 LEU 23 2HB LEU 23 -1.217 1.237 -1.524 167 HG LEU 23 HG LEU 23 0.819 -0.098 -1.392 168 HD11 LEU 23 1HD1 LEU 23 -0.454 -1.603 0.928 169 HD12 LEU 23 2HD1 LEU 23 0.837 -0.411 1.147 170 HD13 LEU 23 3HD1 LEU 23 1.154 -1.844 0.195 171 HD21 LEU 23 3HD2 LEU 23 -1.726 -1.746 -1.169 172 HD22 LEU 23 1HD2 LEU 23 -0.198 -2.281 -1.902 173 HD23 LEU 23 2HD2 LEU 23 -1.112 -0.951 -2.637 174 H ARG 24 H ARG 24 0.634 3.222 -1.782 175 HA ARG 24 HA ARG 24 3.294 2.298 -2.028 176 HB2 ARG 24 1HB ARG 24 2.016 4.967 -2.738 177 HB3 ARG 24 2HB ARG 24 3.682 4.583 -3.169 178 HG2 ARG 24 1HG ARG 24 3.050 2.776 -4.608 179 HG3 ARG 24 2HG ARG 24 1.409 2.751 -3.996 180 HD2 ARG 24 1HD ARG 24 1.373 5.276 -4.889 181 HD3 ARG 24 2HD ARG 24 2.710 4.694 -5.893 182 HE ARG 24 HE ARG 24 0.243 3.045 -5.859 183 HH11 ARG 24 2HH1 ARG 24 1.892 5.587 -7.642 184 HH12 ARG 24 1HH1 ARG 24 0.900 5.331 -9.053 185 HH21 ARG 24 2HH2 ARG 24 -0.932 2.791 -7.600 186 HH22 ARG 24 1HH2 ARG 24 -0.675 3.751 -9.046 187 H SER 25 H SER 25 2.232 5.299 -0.410 188 HA SER 25 HA SER 25 4.813 5.941 0.638 189 HB2 SER 25 1HB SER 25 1.993 6.790 1.374 190 HB3 SER 25 2HB SER 25 3.454 7.508 2.109 191 HG SER 25 HG SER 25 2.712 8.694 0.272 192 H HIS 26 H HIS 26 2.139 4.009 2.118 193 HA HIS 26 HA HIS 26 3.303 3.656 4.691 194 HB2 HIS 26 1HB HIS 26 1.162 2.772 4.480 195 HB3 HIS 26 2HB HIS 26 1.489 2.000 2.943 196 HD1 HIS 26 1HD HIS 26 1.885 1.331 6.678 197 HD2 HIS 26 2HD HIS 26 2.632 -0.441 2.936 198 HE1 HIS 26 1HE HIS 26 2.294 -1.130 7.146 199 H ILE 27 H ILE 27 3.989 1.848 1.624 200 HA ILE 27 HA ILE 27 5.843 0.062 2.874 201 HB ILE 27 HB ILE 27 5.830 0.976 -0.024 202 HG12 ILE 27 1HG1 ILE 27 4.587 -1.575 1.114 203 HG13 ILE 27 2HG1 ILE 27 3.653 -0.122 0.823 204 HG21 ILE 27 1HG2 ILE 27 7.091 -1.069 -0.471 205 HG22 ILE 27 2HG2 ILE 27 7.944 -0.137 0.747 206 HG23 ILE 27 3HG2 ILE 27 6.980 -1.549 1.235 207 HD11 ILE 27 3HD1 ILE 27 3.366 -1.539 -1.078 208 HD12 ILE 27 1HD1 ILE 27 4.360 -0.152 -1.579 209 HD13 ILE 27 2HD1 ILE 27 5.114 -1.737 -1.284 210 H ARG 28 H ARG 28 6.357 3.299 1.417 211 HA ARG 28 HA ARG 28 9.239 3.206 1.743 212 HB2 ARG 28 1HB ARG 28 7.574 5.738 1.675 213 HB3 ARG 28 2HB ARG 28 9.260 5.517 1.215 214 HG2 ARG 28 1HG ARG 28 6.775 4.676 -0.283 215 HG3 ARG 28 2HG ARG 28 8.033 5.794 -0.793 216 HD2 ARG 28 1HD ARG 28 9.613 3.820 -0.860 217 HD3 ARG 28 2HD ARG 28 8.208 2.765 -0.558 218 HE ARG 28 HE ARG 28 7.289 4.082 -2.684 219 HH11 ARG 28 2HH1 ARG 28 10.517 2.659 -2.325 220 HH12 ARG 28 1HH1 ARG 28 10.598 2.411 -4.085 221 HH21 ARG 28 2HH2 ARG 28 7.643 3.674 -4.909 222 HH22 ARG 28 1HH2 ARG 28 9.174 2.914 -5.355 223 H GLU 29 H GLU 29 6.652 4.471 3.830 224 HA GLU 29 HA GLU 29 8.466 5.584 5.813 225 HB2 GLU 29 1HB GLU 29 5.480 4.975 5.822 226 HB3 GLU 29 2HB GLU 29 6.327 5.733 7.174 227 HG2 GLU 29 1HG GLU 29 7.063 7.571 5.705 228 HG3 GLU 29 2HG GLU 29 6.180 6.857 4.357 229 H VAL 30 H VAL 30 6.713 2.501 5.576 230 HA VAL 30 HA VAL 30 7.599 1.766 8.320 231 HB VAL 30 HB VAL 30 5.350 0.574 6.664 232 HG11 VAL 30 1HG1 VAL 30 4.484 -0.155 8.873 233 HG12 VAL 30 2HG1 VAL 30 6.037 -0.897 8.495 234 HG13 VAL 30 3HG1 VAL 30 5.962 0.459 9.645 235 HG21 VAL 30 3HG2 VAL 30 4.839 2.956 7.037 236 HG22 VAL 30 1HG2 VAL 30 3.846 1.974 8.111 237 HG23 VAL 30 2HG2 VAL 30 5.280 2.808 8.748 238 H HIS 31 H HIS 31 7.911 0.640 4.992 239 HA HIS 31 HA HIS 31 9.484 -1.709 6.001 240 HB2 HIS 31 1HB HIS 31 8.123 -1.389 3.317 241 HB3 HIS 31 2HB HIS 31 8.988 -2.800 3.907 242 HD1 HIS 31 1HD HIS 31 7.719 -3.480 6.604 243 HD2 HIS 31 2HD HIS 31 5.611 -1.997 3.293 244 HE1 HIS 31 1HE HIS 31 5.314 -4.225 6.919 245 H GLY 32 H GLY 32 9.784 1.295 4.320 246 HA2 GLY 32 1HA GLY 32 11.646 2.424 3.647 247 HA3 GLY 32 2HA GLY 32 12.635 1.177 4.412 248 H ALA 33 H ALA 33 10.432 0.389 1.739 249 HA ALA 33 HA ALA 33 12.477 -0.834 0.216 250 HB1 ALA 33 1HB ALA 33 10.074 -1.500 0.213 251 HB2 ALA 33 2HB ALA 33 9.691 0.007 -0.665 252 HB3 ALA 33 3HB ALA 33 10.718 -1.227 -1.416 253 H ALA 34 H ALA 34 13.772 -0.105 -1.178 254 HA ALA 34 HA ALA 34 13.749 2.673 -2.177 255 HB1 ALA 34 1HB ALA 34 15.748 1.745 -1.066 256 HB2 ALA 34 2HB ALA 34 15.893 0.522 -2.350 257 HB3 ALA 34 3HB ALA 34 16.092 2.246 -2.730 258 H GLN 35 H GLN 35 12.127 0.230 -3.346 259 HA GLN 35 HA GLN 35 13.050 -0.229 -6.016 260 HB2 GLN 35 1HB GLN 35 10.281 -0.593 -4.795 261 HB3 GLN 35 2HB GLN 35 10.805 -1.247 -6.343 262 HG2 GLN 35 1HG GLN 35 11.964 -1.987 -3.615 263 HG3 GLN 35 2HG GLN 35 10.851 -2.952 -4.573 264 HE21 GLN 35 1HE2 GLN 35 11.680 -3.682 -6.813 265 HE22 GLN 35 2HE2 GLN 35 13.403 -4.018 -6.923 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -18.899 5.740 -6.307 2 H2 GLY 1 2H GLY 1 -18.118 6.322 -4.991 3 H3 GLY 1 3H GLY 1 -19.563 6.956 -5.431 4 HA2 GLY 1 1HA GLY 1 -19.843 5.517 -3.524 5 HA3 GLY 1 2HA GLY 1 -20.703 4.902 -4.947 6 H SER 2 H SER 2 -19.478 3.569 -2.516 7 HA SER 2 HA SER 2 -17.878 1.460 -3.905 8 HB2 SER 2 1HB SER 2 -17.202 2.719 -1.219 9 HB3 SER 2 2HB SER 2 -16.377 1.338 -1.963 10 HG SER 2 HG SER 2 -15.280 3.327 -2.337 11 H SER 3 H SER 3 -17.960 -0.611 -2.960 12 HA SER 3 HA SER 3 -19.803 -1.149 -0.718 13 HB2 SER 3 1HB SER 3 -21.114 -2.772 -2.017 14 HB3 SER 3 2HB SER 3 -21.296 -1.129 -2.644 15 HG SER 3 HG SER 3 -20.969 -2.663 -4.322 16 H GLY 4 H GLY 4 -19.770 -3.403 -0.019 17 HA2 GLY 4 1HA GLY 4 -18.743 -5.388 0.554 18 HA3 GLY 4 2HA GLY 4 -17.809 -5.298 -0.935 19 H SER 5 H SER 5 -16.170 -6.291 0.445 20 HA SER 5 HA SER 5 -14.771 -4.550 2.386 21 HB2 SER 5 1HB SER 5 -13.613 -6.624 3.031 22 HB3 SER 5 2HB SER 5 -15.375 -6.768 3.126 23 HG SER 5 HG SER 5 -14.427 -8.590 2.099 24 H SER 6 H SER 6 -14.575 -4.530 -0.784 25 HA SER 6 HA SER 6 -11.959 -5.280 -1.512 26 HB2 SER 6 1HB SER 6 -13.732 -3.144 -2.752 27 HB3 SER 6 2HB SER 6 -12.338 -3.925 -3.524 28 HG SER 6 HG SER 6 -14.334 -4.912 -4.115 29 H GLY 7 H GLY 7 -10.053 -4.196 -1.887 30 HA2 GLY 7 1HA GLY 7 -9.528 -1.431 -1.650 31 HA3 GLY 7 2HA GLY 7 -9.171 -2.172 -0.087 32 H TYR 8 H TYR 8 -7.083 -1.055 -1.177 33 HA TYR 8 HA TYR 8 -5.496 -2.955 -2.825 34 HB2 TYR 8 1HB TYR 8 -4.775 -0.255 -1.626 35 HB3 TYR 8 2HB TYR 8 -3.771 -1.204 -2.708 36 HD1 TYR 8 2HD TYR 8 -6.874 0.835 -2.484 37 HD2 TYR 8 1HD TYR 8 -4.174 -1.285 -5.099 38 HE1 TYR 8 2HE TYR 8 -7.944 1.908 -4.463 39 HE2 TYR 8 1HE TYR 8 -5.235 -0.203 -7.072 40 HH TYR 8 HH TYR 8 -6.849 1.249 -7.813 41 H VAL 9 H VAL 9 -3.646 -4.099 -1.965 42 HA VAL 9 HA VAL 9 -3.369 -4.025 1.000 43 HB VAL 9 HB VAL 9 -3.621 -6.576 -0.620 44 HG11 VAL 9 1HG1 VAL 9 -3.281 -6.032 2.367 45 HG12 VAL 9 2HG1 VAL 9 -3.739 -7.610 1.684 46 HG13 VAL 9 3HG1 VAL 9 -2.175 -6.905 1.291 47 HG21 VAL 9 3HG2 VAL 9 -5.571 -5.307 1.350 48 HG22 VAL 9 1HG2 VAL 9 -5.837 -5.514 -0.396 49 HG23 VAL 9 2HG2 VAL 9 -5.725 -6.931 0.646 50 H CYS 10 H CYS 10 -1.445 -4.302 1.856 51 HA CYS 10 HA CYS 10 0.957 -3.926 0.393 52 HB2 CYS 10 1HB CYS 10 0.446 -3.268 2.730 53 HB3 CYS 10 2HB CYS 10 0.482 -4.973 3.202 54 H ALA 11 H ALA 11 2.438 -5.225 -0.453 55 HA ALA 11 HA ALA 11 1.913 -8.107 -0.681 56 HB1 ALA 11 1HB ALA 11 3.785 -8.055 -2.268 57 HB2 ALA 11 2HB ALA 11 2.611 -6.779 -2.637 58 HB3 ALA 11 3HB ALA 11 4.143 -6.372 -1.828 59 H LEU 12 H LEU 12 3.428 -6.217 1.641 60 HA LEU 12 HA LEU 12 5.545 -8.225 2.280 61 HB2 LEU 12 1HB LEU 12 5.330 -5.335 3.184 62 HB3 LEU 12 2HB LEU 12 6.640 -6.460 3.459 63 HG LEU 12 HG LEU 12 6.918 -6.488 0.855 64 HD11 LEU 12 1HD1 LEU 12 4.903 -5.224 0.146 65 HD12 LEU 12 2HD1 LEU 12 6.346 -4.287 -0.204 66 HD13 LEU 12 3HD1 LEU 12 5.353 -3.880 1.207 67 HD21 LEU 12 3HD2 LEU 12 8.455 -5.469 2.494 68 HD22 LEU 12 1HD2 LEU 12 7.438 -4.017 2.510 69 HD23 LEU 12 2HD2 LEU 12 8.327 -4.463 1.034 70 H CYS 13 H CYS 13 3.251 -6.064 3.932 71 HA CYS 13 HA CYS 13 3.110 -7.983 6.214 72 HB2 CYS 13 1HB CYS 13 2.574 -6.259 7.695 73 HB3 CYS 13 2HB CYS 13 4.043 -5.865 6.820 74 H LEU 14 H LEU 14 1.232 -7.238 3.606 75 HA LEU 14 HA LEU 14 -0.897 -7.607 2.992 76 HB2 LEU 14 1HB LEU 14 -0.527 -9.739 5.078 77 HB3 LEU 14 2HB LEU 14 -2.008 -9.600 4.148 78 HG LEU 14 HG LEU 14 -0.798 -9.837 2.032 79 HD11 LEU 14 1HD1 LEU 14 1.537 -10.769 2.055 80 HD12 LEU 14 2HD1 LEU 14 1.672 -10.290 3.764 81 HD13 LEU 14 3HD1 LEU 14 1.460 -9.068 2.483 82 HD21 LEU 14 3HD2 LEU 14 -1.756 -11.785 3.204 83 HD22 LEU 14 1HD2 LEU 14 -0.215 -12.041 4.050 84 HD23 LEU 14 2HD2 LEU 14 -0.312 -12.228 2.285 85 H LYS 15 H LYS 15 -0.574 -5.470 4.895 86 HA LYS 15 HA LYS 15 -3.165 -5.102 6.212 87 HB2 LYS 15 1HB LYS 15 -0.981 -4.129 6.954 88 HB3 LYS 15 2HB LYS 15 -0.957 -3.185 5.446 89 HG2 LYS 15 1HG LYS 15 -2.875 -1.887 6.134 90 HG3 LYS 15 2HG LYS 15 -3.230 -2.977 7.479 91 HD2 LYS 15 1HD LYS 15 -0.724 -1.246 7.296 92 HD3 LYS 15 2HD LYS 15 -2.211 -0.784 8.138 93 HE2 LYS 15 1HE LYS 15 -2.008 -2.863 9.548 94 HE3 LYS 15 2HE LYS 15 -0.444 -3.187 8.788 95 HZ1 LYS 15 3HZ LYS 15 -0.184 -2.008 10.892 96 HZ2 LYS 15 1HZ LYS 15 -1.103 -0.764 10.380 97 HZ3 LYS 15 2HZ LYS 15 0.348 -1.054 9.682 98 H LYS 16 H LYS 16 -4.892 -3.875 5.495 99 HA LYS 16 HA LYS 16 -5.047 -3.341 2.588 100 HB2 LYS 16 1HB LYS 16 -6.634 -4.890 3.663 101 HB3 LYS 16 2HB LYS 16 -7.262 -3.568 4.651 102 HG2 LYS 16 1HG LYS 16 -8.076 -2.395 2.672 103 HG3 LYS 16 2HG LYS 16 -7.318 -3.572 1.592 104 HD2 LYS 16 1HD LYS 16 -9.484 -4.263 3.622 105 HD3 LYS 16 2HD LYS 16 -9.812 -3.833 1.937 106 HE2 LYS 16 1HE LYS 16 -8.504 -5.734 1.127 107 HE3 LYS 16 2HE LYS 16 -8.033 -6.168 2.776 108 HZ1 LYS 16 3HZ LYS 16 -9.932 -7.488 1.940 109 HZ2 LYS 16 1HZ LYS 16 -10.845 -6.128 1.819 110 HZ3 LYS 16 2HZ LYS 16 -10.334 -6.648 3.281 111 H PHE 17 H PHE 17 -5.779 -1.508 1.665 112 HA PHE 17 HA PHE 17 -5.856 1.028 3.232 113 HB2 PHE 17 1HB PHE 17 -4.187 0.363 0.771 114 HB3 PHE 17 2HB PHE 17 -4.391 1.982 1.422 115 HD1 PHE 17 2HD PHE 17 -3.460 2.614 3.635 116 HD2 PHE 17 1HD PHE 17 -2.723 -1.264 1.888 117 HE1 PHE 17 2HE PHE 17 -1.662 2.203 5.297 118 HE2 PHE 17 1HE PHE 17 -0.923 -1.661 3.542 119 HZ PHE 17 HZ PHE 17 -0.427 0.047 5.274 120 H VAL 18 H VAL 18 -6.858 2.758 2.312 121 HA VAL 18 HA VAL 18 -9.167 2.334 0.669 122 HB VAL 18 HB VAL 18 -9.172 3.940 2.443 123 HG11 VAL 18 1HG1 VAL 18 -7.101 5.579 0.929 124 HG12 VAL 18 2HG1 VAL 18 -7.921 6.042 2.426 125 HG13 VAL 18 3HG1 VAL 18 -6.802 4.685 2.445 126 HG21 VAL 18 3HG2 VAL 18 -10.587 4.497 0.447 127 HG22 VAL 18 1HG2 VAL 18 -10.097 5.905 1.415 128 HG23 VAL 18 2HG2 VAL 18 -9.279 5.577 -0.117 129 H SER 19 H SER 19 -5.910 3.419 -0.156 130 HA SER 19 HA SER 19 -6.584 3.402 -3.032 131 HB2 SER 19 1HB SER 19 -7.052 5.678 -2.555 132 HB3 SER 19 2HB SER 19 -5.614 5.853 -1.547 133 HG SER 19 HG SER 19 -5.495 6.708 -3.762 134 H SER 20 H SER 20 -4.772 3.221 -4.400 135 HA SER 20 HA SER 20 -2.552 1.679 -3.487 136 HB2 SER 20 1HB SER 20 -1.631 2.127 -5.746 137 HB3 SER 20 2HB SER 20 -3.311 1.567 -5.780 138 HG SER 20 HG SER 20 -2.999 3.358 -7.172 139 H ILE 21 H ILE 21 -2.994 5.192 -3.806 140 HA ILE 21 HA ILE 21 -0.223 5.934 -3.515 141 HB ILE 21 HB ILE 21 -2.773 7.432 -2.788 142 HG12 ILE 21 1HG1 ILE 21 -2.793 6.919 -5.149 143 HG13 ILE 21 2HG1 ILE 21 -2.485 8.626 -4.913 144 HG21 ILE 21 1HG2 ILE 21 0.098 8.406 -2.999 145 HG22 ILE 21 2HG2 ILE 21 -1.321 9.485 -3.005 146 HG23 ILE 21 3HG2 ILE 21 -0.987 8.481 -1.594 147 HD11 ILE 21 3HD1 ILE 21 -1.104 7.771 -6.720 148 HD12 ILE 21 1HD1 ILE 21 -0.050 8.239 -5.376 149 HD13 ILE 21 2HD1 ILE 21 -0.413 6.520 -5.679 150 H ARG 22 H ARG 22 -2.790 5.395 -1.110 151 HA ARG 22 HA ARG 22 -1.222 6.136 1.221 152 HB2 ARG 22 1HB ARG 22 -3.570 4.199 1.081 153 HB3 ARG 22 2HB ARG 22 -2.993 5.052 2.504 154 HG2 ARG 22 1HG ARG 22 -4.310 6.316 0.063 155 HG3 ARG 22 2HG ARG 22 -5.053 5.999 1.632 156 HD2 ARG 22 1HD ARG 22 -3.547 7.602 2.703 157 HD3 ARG 22 2HD ARG 22 -2.789 7.921 1.136 158 HE ARG 22 HE ARG 22 -4.628 9.159 0.445 159 HH11 ARG 22 2HH1 ARG 22 -5.437 7.741 3.551 160 HH12 ARG 22 1HH1 ARG 22 -6.862 8.729 3.723 161 HH21 ARG 22 2HH2 ARG 22 -6.455 10.373 0.735 162 HH22 ARG 22 1HH2 ARG 22 -7.417 10.173 2.169 163 H LEU 23 H LEU 23 -1.804 3.079 -0.475 164 HA LEU 23 HA LEU 23 -0.281 1.390 1.269 165 HB2 LEU 23 1HB LEU 23 -1.886 0.403 -0.175 166 HB3 LEU 23 2HB LEU 23 -1.255 1.230 -1.595 167 HG LEU 23 HG LEU 23 0.766 -0.118 -1.577 168 HD11 LEU 23 1HD1 LEU 23 -0.445 -1.739 0.697 169 HD12 LEU 23 2HD1 LEU 23 0.860 -0.570 0.935 170 HD13 LEU 23 3HD1 LEU 23 1.137 -1.947 -0.108 171 HD21 LEU 23 3HD2 LEU 23 -0.245 -2.275 -2.174 172 HD22 LEU 23 1HD2 LEU 23 -1.191 -0.921 -2.816 173 HD23 LEU 23 2HD2 LEU 23 -1.757 -1.798 -1.374 174 H ARG 24 H ARG 24 0.630 3.109 -1.797 175 HA ARG 24 HA ARG 24 3.307 2.154 -1.907 176 HB2 ARG 24 1HB ARG 24 1.964 4.688 -2.901 177 HB3 ARG 24 2HB ARG 24 3.682 4.389 -3.186 178 HG2 ARG 24 1HG ARG 24 3.277 2.446 -4.500 179 HG3 ARG 24 2HG ARG 24 1.584 2.342 -4.001 180 HD2 ARG 24 1HD ARG 24 1.120 4.510 -5.123 181 HD3 ARG 24 2HD ARG 24 2.810 4.574 -5.671 182 HE ARG 24 HE ARG 24 1.698 2.092 -6.501 183 HH11 ARG 24 2HH1 ARG 24 1.333 5.479 -7.318 184 HH12 ARG 24 1HH1 ARG 24 0.774 5.125 -8.929 185 HH21 ARG 24 2HH2 ARG 24 0.995 1.712 -8.578 186 HH22 ARG 24 1HH2 ARG 24 0.597 3.046 -9.619 187 H SER 25 H SER 25 2.110 5.185 -0.449 188 HA SER 25 HA SER 25 4.624 5.982 0.652 189 HB2 SER 25 1HB SER 25 2.610 7.440 0.318 190 HB3 SER 25 2HB SER 25 1.815 6.616 1.673 191 HG SER 25 HG SER 25 2.884 8.586 2.281 192 H HIS 26 H HIS 26 2.048 3.899 2.076 193 HA HIS 26 HA HIS 26 3.198 3.556 4.659 194 HB2 HIS 26 1HB HIS 26 1.082 2.635 4.455 195 HB3 HIS 26 2HB HIS 26 1.399 1.899 2.902 196 HD1 HIS 26 1HD HIS 26 1.872 1.175 6.612 197 HD2 HIS 26 2HD HIS 26 2.630 -0.520 2.835 198 HE1 HIS 26 1HE HIS 26 2.451 -1.258 7.046 199 H ILE 27 H ILE 27 3.951 1.781 1.589 200 HA ILE 27 HA ILE 27 5.835 0.024 2.838 201 HB ILE 27 HB ILE 27 5.849 0.985 -0.044 202 HG12 ILE 27 1HG1 ILE 27 4.638 -1.607 1.030 203 HG13 ILE 27 2HG1 ILE 27 3.685 -0.172 0.731 204 HG21 ILE 27 1HG2 ILE 27 7.038 -1.535 1.190 205 HG22 ILE 27 2HG2 ILE 27 7.167 -1.020 -0.502 206 HG23 ILE 27 3HG2 ILE 27 7.979 -0.086 0.743 207 HD11 ILE 27 3HD1 ILE 27 4.465 -0.161 -1.654 208 HD12 ILE 27 1HD1 ILE 27 5.220 -1.744 -1.354 209 HD13 ILE 27 2HD1 ILE 27 3.466 -1.560 -1.194 210 H ARG 28 H ARG 28 6.285 3.279 1.403 211 HA ARG 28 HA ARG 28 9.158 3.285 1.734 212 HB2 ARG 28 1HB ARG 28 7.399 5.752 1.782 213 HB3 ARG 28 2HB ARG 28 9.087 5.615 1.303 214 HG2 ARG 28 1HG ARG 28 6.629 4.721 -0.215 215 HG3 ARG 28 2HG ARG 28 7.817 5.935 -0.686 216 HD2 ARG 28 1HD ARG 28 9.500 4.051 -0.813 217 HD3 ARG 28 2HD ARG 28 8.142 2.916 -0.574 218 HE ARG 28 HE ARG 28 7.311 4.441 -2.705 219 HH11 ARG 28 2HH1 ARG 28 10.264 2.589 -2.174 220 HH12 ARG 28 1HH1 ARG 28 10.351 2.187 -3.904 221 HH21 ARG 28 2HH2 ARG 28 7.664 3.861 -4.919 222 HH22 ARG 28 1HH2 ARG 28 9.072 2.857 -5.266 223 H GLU 29 H GLU 29 6.545 4.439 3.854 224 HA GLU 29 HA GLU 29 8.362 5.526 5.847 225 HB2 GLU 29 1HB GLU 29 5.375 4.953 5.838 226 HB3 GLU 29 2HB GLU 29 6.206 5.722 7.185 227 HG2 GLU 29 1HG GLU 29 6.172 6.848 4.350 228 HG3 GLU 29 2HG GLU 29 5.055 7.308 5.628 229 H VAL 30 H VAL 30 6.618 2.432 5.582 230 HA VAL 30 HA VAL 30 7.502 1.684 8.322 231 HB VAL 30 HB VAL 30 5.371 0.404 6.570 232 HG11 VAL 30 1HG1 VAL 30 5.987 0.101 9.537 233 HG12 VAL 30 2HG1 VAL 30 4.554 -0.554 8.714 234 HG13 VAL 30 3HG1 VAL 30 6.154 -1.152 8.286 235 HG21 VAL 30 3HG2 VAL 30 5.130 2.452 8.823 236 HG22 VAL 30 1HG2 VAL 30 4.689 2.698 7.120 237 HG23 VAL 30 2HG2 VAL 30 3.765 1.568 8.110 238 H HIS 31 H HIS 31 7.861 0.590 4.974 239 HA HIS 31 HA HIS 31 9.519 -1.709 5.957 240 HB2 HIS 31 1HB HIS 31 8.182 -1.367 3.267 241 HB3 HIS 31 2HB HIS 31 9.063 -2.774 3.844 242 HD1 HIS 31 1HD HIS 31 7.773 -3.489 6.531 243 HD2 HIS 31 2HD HIS 31 5.689 -2.061 3.181 244 HE1 HIS 31 1HE HIS 31 5.383 -4.297 6.802 245 H GLY 32 H GLY 32 9.760 1.335 4.335 246 HA2 GLY 32 1HA GLY 32 11.603 2.516 3.714 247 HA3 GLY 32 2HA GLY 32 12.605 1.283 4.489 248 H ALA 33 H ALA 33 10.517 0.453 1.750 249 HA ALA 33 HA ALA 33 12.689 -0.473 0.128 250 HB1 ALA 33 1HB ALA 33 10.939 -0.906 -1.522 251 HB2 ALA 33 2HB ALA 33 10.383 -1.425 0.082 252 HB3 ALA 33 3HB ALA 33 9.793 0.103 -0.621 253 H ALA 34 H ALA 34 13.962 0.679 -1.047 254 HA ALA 34 HA ALA 34 13.419 3.518 -1.643 255 HB1 ALA 34 1HB ALA 34 16.018 1.940 -1.721 256 HB2 ALA 34 2HB ALA 34 15.850 3.707 -1.814 257 HB3 ALA 34 3HB ALA 34 15.402 2.858 -0.325 258 H GLN 35 H GLN 35 12.734 0.970 -3.432 259 HA GLN 35 HA GLN 35 13.930 1.828 -6.012 260 HB2 GLN 35 1HB GLN 35 12.356 -0.657 -5.240 261 HB3 GLN 35 2HB GLN 35 12.960 -0.297 -6.864 262 HG2 GLN 35 1HG GLN 35 15.289 -0.195 -5.972 263 HG3 GLN 35 2HG GLN 35 14.692 -0.641 -4.375 264 HE21 GLN 35 1HE2 GLN 35 16.588 -2.294 -5.206 265 HE22 GLN 35 2HE2 GLN 35 15.914 -3.797 -5.828 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -19.882 -11.617 6.282 2 H2 GLY 1 2H GLY 1 -20.762 -11.343 4.926 3 H3 GLY 1 3H GLY 1 -19.609 -10.273 5.388 4 HA2 GLY 1 1HA GLY 1 -19.110 -13.042 4.509 5 HA3 GLY 1 2HA GLY 1 -18.833 -11.592 3.526 6 H SER 2 H SER 2 -16.884 -13.619 4.312 7 HA SER 2 HA SER 2 -15.174 -12.522 6.401 8 HB2 SER 2 1HB SER 2 -13.682 -14.392 5.744 9 HB3 SER 2 2HB SER 2 -15.338 -14.904 6.106 10 HG SER 2 HG SER 2 -14.528 -15.863 4.173 11 H SER 3 H SER 3 -15.476 -11.852 3.049 12 HA SER 3 HA SER 3 -13.124 -10.074 3.092 13 HB2 SER 3 1HB SER 3 -12.380 -12.326 2.189 14 HB3 SER 3 2HB SER 3 -13.508 -12.086 0.841 15 HG SER 3 HG SER 3 -11.340 -11.369 0.394 16 H GLY 4 H GLY 4 -13.105 -8.768 0.950 17 HA2 GLY 4 1HA GLY 4 -15.669 -8.357 -0.378 18 HA3 GLY 4 2HA GLY 4 -15.278 -7.070 0.759 19 H SER 5 H SER 5 -15.615 -6.970 -2.106 20 HA SER 5 HA SER 5 -13.168 -6.800 -3.550 21 HB2 SER 5 1HB SER 5 -15.855 -5.497 -4.136 22 HB3 SER 5 2HB SER 5 -14.550 -5.785 -5.302 23 HG SER 5 HG SER 5 -16.159 -7.424 -5.385 24 H SER 6 H SER 6 -12.499 -4.855 -4.779 25 HA SER 6 HA SER 6 -11.465 -2.869 -4.935 26 HB2 SER 6 1HB SER 6 -13.635 -1.765 -3.130 27 HB3 SER 6 2HB SER 6 -12.571 -0.837 -4.190 28 HG SER 6 HG SER 6 -13.502 -1.865 -5.985 29 H GLY 7 H GLY 7 -10.394 -0.984 -3.748 30 HA2 GLY 7 1HA GLY 7 -8.867 -0.258 -2.138 31 HA3 GLY 7 2HA GLY 7 -9.320 -1.580 -1.072 32 H TYR 8 H TYR 8 -6.811 -1.182 -1.014 33 HA TYR 8 HA TYR 8 -5.392 -3.047 -2.891 34 HB2 TYR 8 1HB TYR 8 -4.404 -0.359 -1.858 35 HB3 TYR 8 2HB TYR 8 -3.550 -1.447 -2.944 36 HD1 TYR 8 2HD TYR 8 -6.467 0.848 -2.647 37 HD2 TYR 8 1HD TYR 8 -4.012 -1.485 -5.320 38 HE1 TYR 8 2HE TYR 8 -7.552 1.946 -4.601 39 HE2 TYR 8 1HE TYR 8 -5.073 -0.361 -7.270 40 HH TYR 8 HH TYR 8 -6.627 1.170 -7.977 41 H VAL 9 H VAL 9 -3.580 -4.202 -1.988 42 HA VAL 9 HA VAL 9 -3.363 -4.067 0.988 43 HB VAL 9 HB VAL 9 -3.446 -6.625 -0.638 44 HG11 VAL 9 1HG1 VAL 9 -3.363 -6.077 2.367 45 HG12 VAL 9 2HG1 VAL 9 -3.643 -7.672 1.636 46 HG13 VAL 9 3HG1 VAL 9 -2.100 -6.855 1.396 47 HG21 VAL 9 3HG2 VAL 9 -5.606 -7.064 0.474 48 HG22 VAL 9 1HG2 VAL 9 -5.553 -5.458 1.227 49 HG23 VAL 9 2HG2 VAL 9 -5.713 -5.625 -0.539 50 H CYS 10 H CYS 10 -1.435 -4.266 1.895 51 HA CYS 10 HA CYS 10 0.992 -3.910 0.426 52 HB2 CYS 10 1HB CYS 10 0.458 -3.070 2.691 53 HB3 CYS 10 2HB CYS 10 0.448 -4.733 3.301 54 H ALA 11 H ALA 11 2.158 -5.338 -0.649 55 HA ALA 11 HA ALA 11 1.709 -8.192 -0.475 56 HB1 ALA 11 1HB ALA 11 3.503 -8.298 -2.162 57 HB2 ALA 11 2HB ALA 11 2.313 -7.050 -2.570 58 HB3 ALA 11 3HB ALA 11 3.887 -6.587 -1.885 59 H LEU 12 H LEU 12 3.404 -6.167 1.597 60 HA LEU 12 HA LEU 12 5.539 -8.131 2.270 61 HB2 LEU 12 1HB LEU 12 5.195 -5.228 3.112 62 HB3 LEU 12 2HB LEU 12 6.525 -6.294 3.504 63 HG LEU 12 HG LEU 12 7.026 -6.443 1.011 64 HD11 LEU 12 1HD1 LEU 12 6.342 -4.382 -0.315 65 HD12 LEU 12 2HD1 LEU 12 5.086 -4.084 0.903 66 HD13 LEU 12 3HD1 LEU 12 5.054 -5.550 -0.100 67 HD21 LEU 12 3HD2 LEU 12 7.112 -3.714 2.306 68 HD22 LEU 12 1HD2 LEU 12 8.233 -4.313 1.064 69 HD23 LEU 12 2HD2 LEU 12 8.236 -5.037 2.685 70 H CYS 13 H CYS 13 3.142 -6.077 3.893 71 HA CYS 13 HA CYS 13 3.093 -7.990 6.190 72 HB2 CYS 13 1HB CYS 13 2.609 -6.294 7.703 73 HB3 CYS 13 2HB CYS 13 4.030 -5.866 6.769 74 H LEU 14 H LEU 14 1.115 -7.376 3.638 75 HA LEU 14 HA LEU 14 -0.999 -7.852 3.111 76 HB2 LEU 14 1HB LEU 14 -0.694 -9.742 5.444 77 HB3 LEU 14 2HB LEU 14 -2.106 -9.728 4.421 78 HG LEU 14 HG LEU 14 -0.639 -11.496 3.791 79 HD11 LEU 14 1HD1 LEU 14 -2.021 -10.396 2.045 80 HD12 LEU 14 2HD1 LEU 14 -0.556 -11.163 1.407 81 HD13 LEU 14 3HD1 LEU 14 -0.619 -9.402 1.587 82 HD21 LEU 14 3HD2 LEU 14 1.464 -9.504 2.886 83 HD22 LEU 14 1HD2 LEU 14 1.526 -11.271 2.822 84 HD23 LEU 14 2HD2 LEU 14 1.558 -10.452 4.392 85 H LYS 15 H LYS 15 -0.616 -5.578 4.970 86 HA LYS 15 HA LYS 15 -3.233 -5.153 6.223 87 HB2 LYS 15 1HB LYS 15 -1.094 -4.167 7.033 88 HB3 LYS 15 2HB LYS 15 -0.973 -3.275 5.499 89 HG2 LYS 15 1HG LYS 15 -2.928 -1.943 6.041 90 HG3 LYS 15 2HG LYS 15 -3.334 -2.986 7.416 91 HD2 LYS 15 1HD LYS 15 -1.344 -2.245 8.628 92 HD3 LYS 15 2HD LYS 15 -0.819 -1.267 7.240 93 HE2 LYS 15 1HE LYS 15 -2.869 0.104 7.402 94 HE3 LYS 15 2HE LYS 15 -3.462 -0.902 8.727 95 HZ1 LYS 15 3HZ LYS 15 -2.430 1.121 9.568 96 HZ2 LYS 15 1HZ LYS 15 -1.009 0.774 8.844 97 HZ3 LYS 15 2HZ LYS 15 -1.562 -0.167 10.063 98 H LYS 16 H LYS 16 -4.962 -4.024 5.418 99 HA LYS 16 HA LYS 16 -4.971 -3.403 2.521 100 HB2 LYS 16 1HB LYS 16 -6.616 -5.002 3.490 101 HB3 LYS 16 2HB LYS 16 -7.348 -3.667 4.395 102 HG2 LYS 16 1HG LYS 16 -7.983 -2.540 2.332 103 HG3 LYS 16 2HG LYS 16 -7.009 -3.656 1.364 104 HD2 LYS 16 1HD LYS 16 -8.518 -5.532 2.092 105 HD3 LYS 16 2HD LYS 16 -9.548 -4.320 2.901 106 HE2 LYS 16 1HE LYS 16 -9.759 -3.109 0.717 107 HE3 LYS 16 2HE LYS 16 -8.770 -4.353 -0.055 108 HZ1 LYS 16 3HZ LYS 16 -11.431 -4.822 1.187 109 HZ2 LYS 16 1HZ LYS 16 -10.521 -5.970 0.451 110 HZ3 LYS 16 2HZ LYS 16 -11.116 -4.721 -0.417 111 H PHE 17 H PHE 17 -5.729 -1.572 1.625 112 HA PHE 17 HA PHE 17 -5.897 0.927 3.243 113 HB2 PHE 17 1HB PHE 17 -4.139 0.364 0.818 114 HB3 PHE 17 2HB PHE 17 -4.411 1.963 1.491 115 HD1 PHE 17 2HD PHE 17 -3.511 2.617 3.690 116 HD2 PHE 17 1HD PHE 17 -2.705 -1.265 1.988 117 HE1 PHE 17 2HE PHE 17 -1.716 2.254 5.367 118 HE2 PHE 17 1HE PHE 17 -0.920 -1.625 3.673 119 HZ PHE 17 HZ PHE 17 -0.447 0.118 5.374 120 H VAL 18 H VAL 18 -6.888 2.667 2.282 121 HA VAL 18 HA VAL 18 -9.161 2.164 0.609 122 HB VAL 18 HB VAL 18 -9.073 3.790 2.445 123 HG11 VAL 18 1HG1 VAL 18 -6.793 4.741 2.099 124 HG12 VAL 18 2HG1 VAL 18 -7.378 5.571 0.639 125 HG13 VAL 18 3HG1 VAL 18 -8.041 5.980 2.228 126 HG21 VAL 18 3HG2 VAL 18 -9.720 5.201 -0.165 127 HG22 VAL 18 1HG2 VAL 18 -10.783 4.037 0.664 128 HG23 VAL 18 2HG2 VAL 18 -10.349 5.567 1.450 129 H SER 19 H SER 19 -5.922 3.247 -0.164 130 HA SER 19 HA SER 19 -6.546 3.477 -3.050 131 HB2 SER 19 1HB SER 19 -6.989 5.709 -2.312 132 HB3 SER 19 2HB SER 19 -5.539 5.732 -1.301 133 HG SER 19 HG SER 19 -5.493 6.796 -3.487 134 H SER 20 H SER 20 -4.726 3.351 -4.393 135 HA SER 20 HA SER 20 -2.499 1.789 -3.503 136 HB2 SER 20 1HB SER 20 -1.588 2.282 -5.760 137 HB3 SER 20 2HB SER 20 -3.249 1.671 -5.784 138 HG SER 20 HG SER 20 -3.027 3.466 -7.171 139 H ILE 21 H ILE 21 -2.982 5.311 -3.766 140 HA ILE 21 HA ILE 21 -0.207 6.054 -3.454 141 HB ILE 21 HB ILE 21 -2.836 7.492 -3.002 142 HG12 ILE 21 1HG1 ILE 21 -1.991 8.983 -4.780 143 HG13 ILE 21 2HG1 ILE 21 -0.494 8.063 -4.880 144 HG21 ILE 21 1HG2 ILE 21 -0.058 8.594 -2.409 145 HG22 ILE 21 2HG2 ILE 21 -1.525 9.586 -2.577 146 HG23 ILE 21 3HG2 ILE 21 -1.404 8.426 -1.259 147 HD11 ILE 21 3HD1 ILE 21 -3.249 6.921 -5.517 148 HD12 ILE 21 1HD1 ILE 21 -2.138 7.613 -6.716 149 HD13 ILE 21 2HD1 ILE 21 -1.667 6.157 -5.833 150 H ARG 22 H ARG 22 -2.817 5.547 -1.065 151 HA ARG 22 HA ARG 22 -1.211 6.179 1.266 152 HB2 ARG 22 1HB ARG 22 -3.862 4.758 0.806 153 HB3 ARG 22 2HB ARG 22 -3.080 4.710 2.380 154 HG2 ARG 22 1HG ARG 22 -4.693 6.485 2.365 155 HG3 ARG 22 2HG ARG 22 -3.056 7.144 2.531 156 HD2 ARG 22 1HD ARG 22 -3.074 7.850 0.187 157 HD3 ARG 22 2HD ARG 22 -4.693 7.148 -0.023 158 HE ARG 22 HE ARG 22 -4.780 8.961 2.159 159 HH11 ARG 22 2HH2 ARG 22 -4.429 9.158 -1.325 160 HH12 ARG 22 1HH2 ARG 22 -5.096 10.765 -1.387 161 HH21 ARG 22 2HH1 ARG 22 -5.622 11.006 2.000 162 HH22 ARG 22 1HH1 ARG 22 -5.752 11.777 0.447 163 H LEU 23 H LEU 23 -1.809 3.144 -0.487 164 HA LEU 23 HA LEU 23 -0.281 1.482 1.291 165 HB2 LEU 23 1HB LEU 23 -1.891 0.484 -0.159 166 HB3 LEU 23 2HB LEU 23 -1.213 1.262 -1.587 167 HG LEU 23 HG LEU 23 0.802 -0.088 -1.449 168 HD11 LEU 23 1HD1 LEU 23 -0.505 -1.636 0.824 169 HD12 LEU 23 2HD1 LEU 23 0.803 -0.471 1.075 170 HD13 LEU 23 3HD1 LEU 23 1.102 -1.885 0.092 171 HD21 LEU 23 3HD2 LEU 23 -0.186 -2.264 -2.022 172 HD22 LEU 23 1HD2 LEU 23 -1.103 -0.928 -2.740 173 HD23 LEU 23 2HD2 LEU 23 -1.729 -1.760 -1.296 174 H ARG 24 H ARG 24 0.631 3.220 -1.762 175 HA ARG 24 HA ARG 24 3.286 2.231 -1.952 176 HB2 ARG 24 1HB ARG 24 1.978 4.845 -2.789 177 HB3 ARG 24 2HB ARG 24 3.679 4.538 -3.125 178 HG2 ARG 24 1HG ARG 24 3.240 2.700 -4.558 179 HG3 ARG 24 2HG ARG 24 1.580 2.521 -3.997 180 HD2 ARG 24 1HD ARG 24 1.034 4.760 -4.979 181 HD3 ARG 24 2HD ARG 24 2.684 4.842 -5.635 182 HE ARG 24 HE ARG 24 1.602 2.400 -6.513 183 HH11 ARG 24 2HH1 ARG 24 0.865 5.784 -7.043 184 HH12 ARG 24 1HH1 ARG 24 0.105 5.471 -8.579 185 HH21 ARG 24 2HH2 ARG 24 0.640 2.077 -8.493 186 HH22 ARG 24 1HH2 ARG 24 -0.004 3.429 -9.376 187 H SER 25 H SER 25 2.173 5.226 -0.389 188 HA SER 25 HA SER 25 4.710 5.954 0.706 189 HB2 SER 25 1HB SER 25 1.837 6.686 1.328 190 HB3 SER 25 2HB SER 25 3.217 7.421 2.194 191 HG SER 25 HG SER 25 2.569 8.653 0.355 192 H HIS 26 H HIS 26 2.055 3.953 2.136 193 HA HIS 26 HA HIS 26 3.197 3.565 4.709 194 HB2 HIS 26 1HB HIS 26 1.065 2.664 4.450 195 HB3 HIS 26 2HB HIS 26 1.431 1.895 2.923 196 HD1 HIS 26 1HD HIS 26 1.873 1.275 6.667 197 HD2 HIS 26 2HD HIS 26 2.619 -0.532 2.943 198 HE1 HIS 26 1HE HIS 26 2.431 -1.149 7.174 199 H ILE 27 H ILE 27 3.882 1.788 1.628 200 HA ILE 27 HA ILE 27 5.796 0.036 2.833 201 HB ILE 27 HB ILE 27 5.663 0.961 -0.059 202 HG12 ILE 27 1HG1 ILE 27 4.582 -1.641 1.122 203 HG13 ILE 27 2HG1 ILE 27 3.577 -0.228 0.859 204 HG21 ILE 27 1HG2 ILE 27 6.985 -1.056 -0.554 205 HG22 ILE 27 2HG2 ILE 27 7.859 -0.031 0.572 206 HG23 ILE 27 3HG2 ILE 27 7.006 -1.481 1.169 207 HD11 ILE 27 3HD1 ILE 27 4.176 -0.250 -1.569 208 HD12 ILE 27 1HD1 ILE 27 5.023 -1.794 -1.300 209 HD13 ILE 27 2HD1 ILE 27 3.281 -1.683 -1.019 210 H ARG 28 H ARG 28 6.222 3.294 1.403 211 HA ARG 28 HA ARG 28 9.114 3.209 1.643 212 HB2 ARG 28 1HB ARG 28 7.410 5.715 1.617 213 HB3 ARG 28 2HB ARG 28 9.111 5.546 1.196 214 HG2 ARG 28 1HG ARG 28 6.683 4.767 -0.400 215 HG3 ARG 28 2HG ARG 28 8.029 5.797 -0.858 216 HD2 ARG 28 1HD ARG 28 9.476 3.692 -0.812 217 HD3 ARG 28 2HD ARG 28 7.987 2.760 -0.629 218 HE ARG 28 HE ARG 28 8.924 4.218 -3.021 219 HH11 ARG 28 2HH1 ARG 28 6.062 2.694 -1.674 220 HH12 ARG 28 1HH1 ARG 28 5.596 2.046 -3.230 221 HH21 ARG 28 2HH2 ARG 28 8.151 3.523 -4.968 222 HH22 ARG 28 1HH2 ARG 28 6.660 2.637 -5.049 223 H GLU 29 H GLU 29 6.600 4.436 3.871 224 HA GLU 29 HA GLU 29 8.670 5.416 5.703 225 HB2 GLU 29 1HB GLU 29 6.987 6.412 6.930 226 HB3 GLU 29 2HB GLU 29 6.530 6.595 5.233 227 HG2 GLU 29 1HG GLU 29 4.962 4.611 5.590 228 HG3 GLU 29 2HG GLU 29 5.338 4.741 7.311 229 H VAL 30 H VAL 30 6.617 2.556 5.600 230 HA VAL 30 HA VAL 30 7.518 1.754 8.319 231 HB VAL 30 HB VAL 30 5.423 0.411 6.574 232 HG11 VAL 30 1HG1 VAL 30 6.277 -1.085 8.318 233 HG12 VAL 30 2HG1 VAL 30 6.043 0.178 9.548 234 HG13 VAL 30 3HG1 VAL 30 4.649 -0.555 8.726 235 HG21 VAL 30 3HG2 VAL 30 3.799 1.532 8.184 236 HG22 VAL 30 1HG2 VAL 30 5.151 2.543 8.741 237 HG23 VAL 30 2HG2 VAL 30 4.594 2.624 7.055 238 H HIS 31 H HIS 31 7.813 0.619 4.955 239 HA HIS 31 HA HIS 31 9.483 -1.665 5.943 240 HB2 HIS 31 1HB HIS 31 8.054 -1.321 3.300 241 HB3 HIS 31 2HB HIS 31 8.975 -2.727 3.818 242 HD1 HIS 31 1HD HIS 31 7.817 -3.555 6.510 243 HD2 HIS 31 2HD HIS 31 5.564 -1.964 3.350 244 HE1 HIS 31 1HE HIS 31 5.440 -4.360 6.877 245 H GLY 32 H GLY 32 9.749 1.354 4.314 246 HA2 GLY 32 1HA GLY 32 11.560 2.484 3.519 247 HA3 GLY 32 2HA GLY 32 12.575 1.309 4.365 248 H ALA 33 H ALA 33 10.408 0.463 1.672 249 HA ALA 33 HA ALA 33 12.432 -0.996 0.343 250 HB1 ALA 33 1HB ALA 33 9.770 0.012 -0.740 251 HB2 ALA 33 2HB ALA 33 10.711 -1.357 -1.364 252 HB3 ALA 33 3HB ALA 33 9.993 -1.454 0.255 253 H ALA 34 H ALA 34 11.677 2.418 -0.036 254 HA ALA 34 HA ALA 34 13.857 2.857 -1.817 255 HB1 ALA 34 1HB ALA 34 12.162 2.220 -3.511 256 HB2 ALA 34 2HB ALA 34 11.021 3.398 -2.826 257 HB3 ALA 34 3HB ALA 34 12.517 3.954 -3.606 258 H GLN 35 H GLN 35 14.398 4.961 -1.837 259 HA GLN 35 HA GLN 35 13.023 6.954 -0.074 260 HB2 GLN 35 1HB GLN 35 16.009 6.321 -0.206 261 HB3 GLN 35 2HB GLN 35 15.311 7.736 0.567 262 HG2 GLN 35 1HG GLN 35 15.692 6.244 2.331 263 HG3 GLN 35 2HG GLN 35 13.957 6.214 2.057 264 HE21 GLN 35 1HE2 GLN 35 13.853 4.137 3.176 265 HE22 GLN 35 2HE2 GLN 35 14.366 2.671 2.332 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -22.508 0.311 4.259 2 H2 GLY 1 2H GLY 1 -21.165 0.743 5.093 3 H3 GLY 1 3H GLY 1 -21.364 -0.808 4.597 4 HA2 GLY 1 1HA GLY 1 -21.004 1.520 2.823 5 HA3 GLY 1 2HA GLY 1 -19.756 0.317 3.195 6 H SER 2 H SER 2 -20.527 0.879 0.577 7 HA SER 2 HA SER 2 -22.527 -0.889 -0.467 8 HB2 SER 2 1HB SER 2 -20.172 0.431 -1.861 9 HB3 SER 2 2HB SER 2 -21.572 -0.312 -2.658 10 HG SER 2 HG SER 2 -21.811 1.966 -2.427 11 H SER 3 H SER 3 -22.355 -2.772 -1.703 12 HA SER 3 HA SER 3 -20.296 -4.673 -0.920 13 HB2 SER 3 1HB SER 3 -22.525 -4.945 -2.968 14 HB3 SER 3 2HB SER 3 -21.561 -6.264 -2.285 15 HG SER 3 HG SER 3 -22.445 -5.798 -0.241 16 H GLY 4 H GLY 4 -18.699 -5.614 -2.154 17 HA2 GLY 4 1HA GLY 4 -17.292 -6.069 -3.903 18 HA3 GLY 4 2HA GLY 4 -18.484 -5.375 -4.999 19 H SER 5 H SER 5 -17.430 -3.094 -2.633 20 HA SER 5 HA SER 5 -16.216 -1.373 -4.550 21 HB2 SER 5 1HB SER 5 -16.074 -1.315 -1.513 22 HB3 SER 5 2HB SER 5 -15.594 0.013 -2.584 23 HG SER 5 HG SER 5 -17.725 0.142 -3.338 24 H SER 6 H SER 6 -14.107 -0.611 -4.794 25 HA SER 6 HA SER 6 -12.081 -2.695 -4.723 26 HB2 SER 6 1HB SER 6 -11.972 0.193 -5.669 27 HB3 SER 6 2HB SER 6 -10.664 -0.986 -5.859 28 HG SER 6 HG SER 6 -13.305 -1.199 -6.930 29 H GLY 7 H GLY 7 -9.935 -2.500 -3.946 30 HA2 GLY 7 1HA GLY 7 -9.013 -0.482 -2.134 31 HA3 GLY 7 2HA GLY 7 -9.520 -1.916 -1.236 32 H TYR 8 H TYR 8 -6.935 -1.173 -1.062 33 HA TYR 8 HA TYR 8 -5.355 -3.005 -2.844 34 HB2 TYR 8 1HB TYR 8 -4.584 -0.281 -1.725 35 HB3 TYR 8 2HB TYR 8 -3.547 -1.336 -2.673 36 HD1 TYR 8 2HD TYR 8 -6.646 0.737 -2.794 37 HD2 TYR 8 1HD TYR 8 -3.693 -1.427 -5.079 38 HE1 TYR 8 2HE TYR 8 -7.581 1.686 -4.887 39 HE2 TYR 8 1HE TYR 8 -4.613 -0.446 -7.180 40 HH TYR 8 HH TYR 8 -7.410 1.797 -7.178 41 H VAL 9 H VAL 9 -3.586 -4.141 -1.884 42 HA VAL 9 HA VAL 9 -3.398 -4.009 1.083 43 HB VAL 9 HB VAL 9 -3.566 -6.601 -0.491 44 HG11 VAL 9 1HG1 VAL 9 -3.759 -7.591 1.807 45 HG12 VAL 9 2HG1 VAL 9 -2.203 -6.807 1.530 46 HG13 VAL 9 3HG1 VAL 9 -3.439 -5.984 2.498 47 HG21 VAL 9 3HG2 VAL 9 -5.813 -5.555 -0.389 48 HG22 VAL 9 1HG2 VAL 9 -5.719 -6.974 0.656 49 HG23 VAL 9 2HG2 VAL 9 -5.629 -5.352 1.370 50 H CYS 10 H CYS 10 -1.455 -4.251 1.951 51 HA CYS 10 HA CYS 10 0.930 -3.900 0.449 52 HB2 CYS 10 1HB CYS 10 0.440 -3.141 2.763 53 HB3 CYS 10 2HB CYS 10 0.480 -4.828 3.307 54 H ALA 11 H ALA 11 2.129 -5.266 -0.644 55 HA ALA 11 HA ALA 11 1.709 -8.131 -0.611 56 HB1 ALA 11 1HB ALA 11 2.322 -6.878 -2.642 57 HB2 ALA 11 2HB ALA 11 3.880 -6.429 -1.915 58 HB3 ALA 11 3HB ALA 11 3.523 -8.131 -2.282 59 H LEU 12 H LEU 12 3.370 -6.172 1.561 60 HA LEU 12 HA LEU 12 5.496 -8.171 2.175 61 HB2 LEU 12 1HB LEU 12 5.237 -5.279 3.074 62 HB3 LEU 12 2HB LEU 12 6.557 -6.382 3.385 63 HG LEU 12 HG LEU 12 6.904 -6.465 0.821 64 HD11 LEU 12 1HD1 LEU 12 4.891 -5.337 -0.047 65 HD12 LEU 12 2HD1 LEU 12 6.281 -4.310 -0.342 66 HD13 LEU 12 3HD1 LEU 12 5.185 -3.938 1.000 67 HD21 LEU 12 3HD2 LEU 12 8.240 -4.401 0.940 68 HD22 LEU 12 1HD2 LEU 12 8.325 -5.280 2.481 69 HD23 LEU 12 2HD2 LEU 12 7.260 -3.870 2.325 70 H CYS 13 H CYS 13 3.181 -6.066 3.865 71 HA CYS 13 HA CYS 13 3.134 -7.998 6.141 72 HB2 CYS 13 1HB CYS 13 2.682 -6.302 7.669 73 HB3 CYS 13 2HB CYS 13 4.100 -5.891 6.722 74 H LEU 14 H LEU 14 1.137 -7.375 3.617 75 HA LEU 14 HA LEU 14 -1.000 -7.803 3.120 76 HB2 LEU 14 1HB LEU 14 -0.655 -9.723 5.421 77 HB3 LEU 14 2HB LEU 14 -2.105 -9.678 4.452 78 HG LEU 14 HG LEU 14 -0.668 -11.458 3.754 79 HD11 LEU 14 1HD1 LEU 14 -0.701 -11.109 1.369 80 HD12 LEU 14 2HD1 LEU 14 -0.758 -9.349 1.565 81 HD13 LEU 14 3HD1 LEU 14 -2.133 -10.349 2.085 82 HD21 LEU 14 3HD2 LEU 14 1.555 -10.418 4.253 83 HD22 LEU 14 1HD2 LEU 14 1.389 -9.458 2.761 84 HD23 LEU 14 2HD2 LEU 14 1.448 -11.224 2.678 85 H LYS 15 H LYS 15 -0.563 -5.539 4.915 86 HA LYS 15 HA LYS 15 -3.124 -5.098 6.283 87 HB2 LYS 15 1HB LYS 15 -0.914 -4.217 7.034 88 HB3 LYS 15 2HB LYS 15 -0.850 -3.247 5.545 89 HG2 LYS 15 1HG LYS 15 -2.741 -1.906 6.251 90 HG3 LYS 15 2HG LYS 15 -3.111 -2.999 7.588 91 HD2 LYS 15 1HD LYS 15 -0.563 -1.333 7.394 92 HD3 LYS 15 2HD LYS 15 -2.028 -0.848 8.265 93 HE2 LYS 15 1HE LYS 15 -1.852 -2.958 9.638 94 HE3 LYS 15 2HE LYS 15 -0.304 -3.299 8.853 95 HZ1 LYS 15 3HZ LYS 15 0.540 -1.198 9.774 96 HZ2 LYS 15 1HZ LYS 15 0.004 -2.163 10.974 97 HZ3 LYS 15 2HZ LYS 15 -0.895 -0.890 10.496 98 H LYS 16 H LYS 16 -4.829 -3.859 5.577 99 HA LYS 16 HA LYS 16 -4.970 -3.333 2.667 100 HB2 LYS 16 1HB LYS 16 -6.590 -4.837 3.814 101 HB3 LYS 16 2HB LYS 16 -7.232 -3.442 4.693 102 HG2 LYS 16 1HG LYS 16 -7.965 -2.401 2.599 103 HG3 LYS 16 2HG LYS 16 -7.121 -3.633 1.646 104 HD2 LYS 16 1HD LYS 16 -8.613 -5.377 2.688 105 HD3 LYS 16 2HD LYS 16 -9.526 -4.054 3.455 106 HE2 LYS 16 1HE LYS 16 -9.953 -3.088 1.187 107 HE3 LYS 16 2HE LYS 16 -9.058 -4.435 0.461 108 HZ1 LYS 16 3HZ LYS 16 -11.460 -4.845 0.433 109 HZ2 LYS 16 1HZ LYS 16 -11.557 -4.711 2.055 110 HZ3 LYS 16 2HZ LYS 16 -10.733 -5.954 1.384 111 H PHE 17 H PHE 17 -5.740 -1.532 1.729 112 HA PHE 17 HA PHE 17 -5.824 1.045 3.220 113 HB2 PHE 17 1HB PHE 17 -4.047 0.352 0.845 114 HB3 PHE 17 2HB PHE 17 -4.303 1.983 1.445 115 HD1 PHE 17 2HD PHE 17 -3.489 2.678 3.690 116 HD2 PHE 17 1HD PHE 17 -2.585 -1.210 2.051 117 HE1 PHE 17 2HE PHE 17 -1.753 2.343 5.433 118 HE2 PHE 17 1HE PHE 17 -0.850 -1.535 3.790 119 HZ PHE 17 HZ PHE 17 -0.465 0.221 5.507 120 H VAL 18 H VAL 18 -6.800 2.758 2.144 121 HA VAL 18 HA VAL 18 -9.096 2.103 0.570 122 HB VAL 18 HB VAL 18 -9.060 3.855 2.244 123 HG11 VAL 18 1HG1 VAL 18 -8.062 6.038 1.914 124 HG12 VAL 18 2HG1 VAL 18 -6.788 4.817 1.877 125 HG13 VAL 18 3HG1 VAL 18 -7.369 5.550 0.362 126 HG21 VAL 18 3HG2 VAL 18 -9.672 5.051 -0.480 127 HG22 VAL 18 1HG2 VAL 18 -10.740 3.952 0.427 128 HG23 VAL 18 2HG2 VAL 18 -10.335 5.547 1.088 129 H SER 19 H SER 19 -5.970 3.498 -0.345 130 HA SER 19 HA SER 19 -6.605 3.201 -3.231 131 HB2 SER 19 1HB SER 19 -5.514 5.776 -2.050 132 HB3 SER 19 2HB SER 19 -5.792 5.427 -3.760 133 HG SER 19 HG SER 19 -7.508 6.642 -2.883 134 H SER 20 H SER 20 -4.721 3.219 -4.600 135 HA SER 20 HA SER 20 -2.510 1.755 -3.685 136 HB2 SER 20 1HB SER 20 -1.481 2.395 -5.864 137 HB3 SER 20 2HB SER 20 -3.145 1.807 -6.011 138 HG SER 20 HG SER 20 -2.802 3.717 -7.244 139 H ILE 21 H ILE 21 -2.784 5.304 -4.053 140 HA ILE 21 HA ILE 21 -0.109 6.002 -3.451 141 HB ILE 21 HB ILE 21 -2.709 7.465 -2.841 142 HG12 ILE 21 1HG1 ILE 21 -2.476 7.080 -5.221 143 HG13 ILE 21 2HG1 ILE 21 -2.252 8.778 -4.850 144 HG21 ILE 21 1HG2 ILE 21 -1.068 8.462 -1.414 145 HG22 ILE 21 2HG2 ILE 21 0.151 8.478 -2.706 146 HG23 ILE 21 3HG2 ILE 21 -1.274 9.542 -2.796 147 HD11 ILE 21 3HD1 ILE 21 0.228 8.492 -5.089 148 HD12 ILE 21 1HD1 ILE 21 -0.041 6.788 -5.535 149 HD13 ILE 21 2HD1 ILE 21 -0.671 8.085 -6.558 150 H ARG 22 H ARG 22 -2.791 5.385 -1.169 151 HA ARG 22 HA ARG 22 -1.251 6.135 1.200 152 HB2 ARG 22 1HB ARG 22 -3.883 4.646 0.800 153 HB3 ARG 22 2HB ARG 22 -3.123 4.822 2.375 154 HG2 ARG 22 1HG ARG 22 -4.741 6.533 2.221 155 HG3 ARG 22 2HG ARG 22 -3.149 7.300 2.134 156 HD2 ARG 22 1HD ARG 22 -3.414 7.612 -0.298 157 HD3 ARG 22 2HD ARG 22 -4.931 6.709 -0.250 158 HE ARG 22 HE ARG 22 -6.045 8.544 0.594 159 HH11 ARG 22 2HH1 ARG 22 -2.621 9.309 0.774 160 HH12 ARG 22 1HH1 ARG 22 -2.933 10.986 1.122 161 HH21 ARG 22 2HH2 ARG 22 -6.354 10.685 1.054 162 HH22 ARG 22 1HH2 ARG 22 -4.987 11.735 1.283 163 H LEU 23 H LEU 23 -1.789 3.090 -0.533 164 HA LEU 23 HA LEU 23 -0.328 1.451 1.334 165 HB2 LEU 23 1HB LEU 23 -1.857 0.388 -0.143 166 HB3 LEU 23 2HB LEU 23 -1.169 1.166 -1.566 167 HG LEU 23 HG LEU 23 0.882 -0.123 -1.361 168 HD11 LEU 23 1HD1 LEU 23 0.817 -0.462 1.176 169 HD12 LEU 23 2HD1 LEU 23 1.218 -1.869 0.223 170 HD13 LEU 23 3HD1 LEU 23 -0.425 -1.689 0.898 171 HD21 LEU 23 3HD2 LEU 23 -1.605 -1.865 -1.239 172 HD22 LEU 23 1HD2 LEU 23 -0.032 -2.337 -1.918 173 HD23 LEU 23 2HD2 LEU 23 -0.967 -1.040 -2.681 174 H ARG 24 H ARG 24 0.676 3.140 -1.725 175 HA ARG 24 HA ARG 24 3.373 2.222 -1.756 176 HB2 ARG 24 1HB ARG 24 2.087 4.818 -2.696 177 HB3 ARG 24 2HB ARG 24 3.801 4.475 -2.943 178 HG2 ARG 24 1HG ARG 24 3.302 2.461 -4.238 179 HG3 ARG 24 2HG ARG 24 1.579 2.642 -3.941 180 HD2 ARG 24 1HD ARG 24 1.943 3.523 -6.130 181 HD3 ARG 24 2HD ARG 24 1.657 4.890 -5.047 182 HE ARG 24 HE ARG 24 3.757 5.694 -5.547 183 HH11 ARG 24 2HH1 ARG 24 3.860 2.281 -6.447 184 HH12 ARG 24 1HH1 ARG 24 5.520 2.434 -7.001 185 HH21 ARG 24 1HH2 ARG 24 5.824 5.750 -6.414 186 HH22 ARG 24 2HH2 ARG 24 6.512 4.268 -7.048 187 H SER 25 H SER 25 2.159 5.282 -0.420 188 HA SER 25 HA SER 25 4.544 6.102 0.857 189 HB2 SER 25 1HB SER 25 1.611 6.620 1.398 190 HB3 SER 25 2HB SER 25 2.906 7.422 2.334 191 HG SER 25 HG SER 25 2.244 8.657 0.500 192 H HIS 26 H HIS 26 2.003 3.885 2.191 193 HA HIS 26 HA HIS 26 3.191 3.573 4.780 194 HB2 HIS 26 1HB HIS 26 1.073 2.647 4.621 195 HB3 HIS 26 2HB HIS 26 1.353 1.918 3.059 196 HD1 HIS 26 1HD HIS 26 1.934 1.186 6.756 197 HD2 HIS 26 2HD HIS 26 2.582 -0.497 2.955 198 HE1 HIS 26 1HE HIS 26 2.545 -1.245 7.165 199 H ILE 27 H ILE 27 3.882 1.828 1.680 200 HA ILE 27 HA ILE 27 5.791 0.057 2.868 201 HB ILE 27 HB ILE 27 5.741 1.020 -0.011 202 HG12 ILE 27 1HG1 ILE 27 4.534 -1.572 1.065 203 HG13 ILE 27 2HG1 ILE 27 3.582 -0.128 0.813 204 HG21 ILE 27 1HG2 ILE 27 7.870 -0.085 0.729 205 HG22 ILE 27 2HG2 ILE 27 6.920 -1.522 1.181 206 HG23 ILE 27 3HG2 ILE 27 7.023 -0.993 -0.510 207 HD11 ILE 27 3HD1 ILE 27 3.310 -1.466 -1.140 208 HD12 ILE 27 1HD1 ILE 27 4.330 -0.077 -1.591 209 HD13 ILE 27 2HD1 ILE 27 5.055 -1.681 -1.331 210 H ARG 28 H ARG 28 6.228 3.314 1.412 211 HA ARG 28 HA ARG 28 9.099 3.339 1.726 212 HB2 ARG 28 1HB ARG 28 7.290 5.773 1.835 213 HB3 ARG 28 2HB ARG 28 8.998 5.710 1.412 214 HG2 ARG 28 1HG ARG 28 6.638 4.741 -0.215 215 HG3 ARG 28 2HG ARG 28 7.735 6.051 -0.597 216 HD2 ARG 28 1HD ARG 28 8.308 3.061 -0.607 217 HD3 ARG 28 2HD ARG 28 8.142 4.098 -2.008 218 HE ARG 28 HE ARG 28 10.535 3.701 -0.428 219 HH11 ARG 28 2HH1 ARG 28 9.038 6.249 -2.342 220 HH12 ARG 28 1HH1 ARG 28 10.586 6.640 -3.050 221 HH21 ARG 28 2HH2 ARG 28 12.394 4.576 -1.030 222 HH22 ARG 28 1HH2 ARG 28 12.424 6.033 -2.013 223 H GLU 29 H GLU 29 6.526 4.475 3.917 224 HA GLU 29 HA GLU 29 8.399 5.504 5.882 225 HB2 GLU 29 1HB GLU 29 5.412 4.934 5.943 226 HB3 GLU 29 2HB GLU 29 6.280 5.656 7.294 227 HG2 GLU 29 1HG GLU 29 6.191 6.877 4.502 228 HG3 GLU 29 2HG GLU 29 5.095 7.292 5.813 229 H VAL 30 H VAL 30 6.673 2.406 5.599 230 HA VAL 30 HA VAL 30 7.631 1.614 8.300 231 HB VAL 30 HB VAL 30 5.457 0.365 6.581 232 HG11 VAL 30 1HG1 VAL 30 6.289 -1.229 8.238 233 HG12 VAL 30 2HG1 VAL 30 6.156 -0.006 9.524 234 HG13 VAL 30 3HG1 VAL 30 4.702 -0.643 8.726 235 HG21 VAL 30 3HG2 VAL 30 3.895 1.492 8.193 236 HG22 VAL 30 1HG2 VAL 30 5.280 2.362 8.887 237 HG23 VAL 30 2HG2 VAL 30 4.790 2.645 7.204 238 H HIS 31 H HIS 31 7.899 0.571 4.928 239 HA HIS 31 HA HIS 31 9.600 -1.730 5.829 240 HB2 HIS 31 1HB HIS 31 8.153 -1.376 3.201 241 HB3 HIS 31 2HB HIS 31 9.051 -2.790 3.735 242 HD1 HIS 31 1HD HIS 31 7.868 -3.575 6.430 243 HD2 HIS 31 2HD HIS 31 5.644 -2.002 3.239 244 HE1 HIS 31 1HE HIS 31 5.480 -4.359 6.791 245 H GLY 32 H GLY 32 9.798 1.337 4.255 246 HA2 GLY 32 1HA GLY 32 11.622 2.495 3.511 247 HA3 GLY 32 2HA GLY 32 12.639 1.255 4.250 248 H ALA 33 H ALA 33 10.358 0.810 1.494 249 HA ALA 33 HA ALA 33 12.361 -0.443 -0.144 250 HB1 ALA 33 1HB ALA 33 10.503 -0.682 -1.717 251 HB2 ALA 33 2HB ALA 33 9.951 -1.071 -0.085 252 HB3 ALA 33 3HB ALA 33 9.543 0.507 -0.814 253 H ALA 34 H ALA 34 12.140 0.307 -2.548 254 HA ALA 34 HA ALA 34 13.292 3.054 -2.747 255 HB1 ALA 34 1HB ALA 34 15.015 1.329 -2.823 256 HB2 ALA 34 2HB ALA 34 14.170 0.504 -4.153 257 HB3 ALA 34 3HB ALA 34 14.853 2.127 -4.399 258 H GLN 35 H GLN 35 11.837 4.230 -3.632 259 HA GLN 35 HA GLN 35 10.973 3.753 -6.428 260 HB2 GLN 35 1HB GLN 35 9.121 4.784 -4.244 261 HB3 GLN 35 2HB GLN 35 8.779 4.842 -5.958 262 HG2 GLN 35 1HG GLN 35 9.205 2.239 -4.412 263 HG3 GLN 35 2HG GLN 35 7.643 3.002 -4.650 264 HE21 GLN 35 1HE2 GLN 35 10.289 1.320 -6.354 265 HE22 GLN 35 2HE2 GLN 35 9.320 0.981 -7.795 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -22.117 -10.879 -0.381 2 H2 GLY 1 2H GLY 1 -23.301 -10.128 0.466 3 H3 GLY 1 3H GLY 1 -22.284 -11.164 1.224 4 HA2 GLY 1 1HA GLY 1 -21.691 -8.892 1.753 5 HA3 GLY 1 2HA GLY 1 -20.405 -9.719 0.856 6 H SER 2 H SER 2 -21.435 -6.799 1.093 7 HA SER 2 HA SER 2 -22.406 -6.027 -1.496 8 HB2 SER 2 1HB SER 2 -21.081 -4.341 0.659 9 HB3 SER 2 2HB SER 2 -22.036 -3.739 -0.711 10 HG SER 2 HG SER 2 -23.288 -3.913 1.212 11 H SER 3 H SER 3 -21.420 -4.932 -3.195 12 HA SER 3 HA SER 3 -18.784 -5.755 -3.896 13 HB2 SER 3 1HB SER 3 -20.508 -3.617 -5.200 14 HB3 SER 3 2HB SER 3 -19.150 -4.486 -5.942 15 HG SER 3 HG SER 3 -21.182 -5.400 -6.513 16 H GLY 4 H GLY 4 -19.759 -2.940 -2.134 17 HA2 GLY 4 1HA GLY 4 -17.690 -1.111 -2.917 18 HA3 GLY 4 2HA GLY 4 -18.710 -1.007 -1.482 19 H SER 5 H SER 5 -17.310 -3.946 -1.091 20 HA SER 5 HA SER 5 -15.405 -3.004 0.873 21 HB2 SER 5 1HB SER 5 -16.082 -5.822 -0.026 22 HB3 SER 5 2HB SER 5 -15.142 -5.386 1.414 23 HG SER 5 HG SER 5 -17.369 -5.761 1.883 24 H SER 6 H SER 6 -14.790 -2.889 -2.265 25 HA SER 6 HA SER 6 -12.323 -4.362 -2.570 26 HB2 SER 6 1HB SER 6 -12.068 -2.990 -4.617 27 HB3 SER 6 2HB SER 6 -13.639 -3.800 -4.499 28 HG SER 6 HG SER 6 -13.838 -1.603 -5.147 29 H GLY 7 H GLY 7 -10.206 -3.427 -2.940 30 HA2 GLY 7 1HA GLY 7 -9.331 -0.848 -2.231 31 HA3 GLY 7 2HA GLY 7 -9.262 -1.824 -0.762 32 H TYR 8 H TYR 8 -6.948 -1.131 -1.115 33 HA TYR 8 HA TYR 8 -5.413 -3.036 -2.855 34 HB2 TYR 8 1HB TYR 8 -4.643 -0.285 -1.808 35 HB3 TYR 8 2HB TYR 8 -3.604 -1.355 -2.738 36 HD1 TYR 8 2HD TYR 8 -6.709 0.703 -2.883 37 HD2 TYR 8 1HD TYR 8 -3.795 -1.541 -5.138 38 HE1 TYR 8 2HE TYR 8 -7.636 1.626 -5.001 39 HE2 TYR 8 1HE TYR 8 -4.715 -0.608 -7.254 40 HH TYR 8 HH TYR 8 -6.285 0.764 -8.210 41 H VAL 9 H VAL 9 -3.608 -4.149 -1.916 42 HA VAL 9 HA VAL 9 -3.395 -3.987 1.048 43 HB VAL 9 HB VAL 9 -3.569 -6.598 -0.488 44 HG11 VAL 9 1HG1 VAL 9 -3.800 -7.545 1.816 45 HG12 VAL 9 2HG1 VAL 9 -2.248 -6.735 1.582 46 HG13 VAL 9 3HG1 VAL 9 -3.537 -5.922 2.491 47 HG21 VAL 9 3HG2 VAL 9 -5.816 -5.554 -0.452 48 HG22 VAL 9 1HG2 VAL 9 -5.747 -6.934 0.642 49 HG23 VAL 9 2HG2 VAL 9 -5.657 -5.290 1.302 50 H CYS 10 H CYS 10 -1.457 -4.235 1.917 51 HA CYS 10 HA CYS 10 0.930 -3.895 0.418 52 HB2 CYS 10 1HB CYS 10 0.449 -3.140 2.737 53 HB3 CYS 10 2HB CYS 10 0.484 -4.826 3.276 54 H ALA 11 H ALA 11 2.148 -5.257 -0.659 55 HA ALA 11 HA ALA 11 1.711 -8.121 -0.642 56 HB1 ALA 11 1HB ALA 11 2.338 -6.865 -2.667 57 HB2 ALA 11 2HB ALA 11 3.897 -6.427 -1.931 58 HB3 ALA 11 3HB ALA 11 3.532 -8.124 -2.304 59 H LEU 12 H LEU 12 3.376 -6.172 1.540 60 HA LEU 12 HA LEU 12 5.486 -8.184 2.158 61 HB2 LEU 12 1HB LEU 12 5.237 -5.294 3.068 62 HB3 LEU 12 2HB LEU 12 6.548 -6.407 3.383 63 HG LEU 12 HG LEU 12 6.915 -6.480 0.824 64 HD11 LEU 12 1HD1 LEU 12 6.309 -4.320 -0.336 65 HD12 LEU 12 2HD1 LEU 12 5.201 -3.952 0.998 66 HD13 LEU 12 3HD1 LEU 12 4.916 -5.348 -0.057 67 HD21 LEU 12 3HD2 LEU 12 8.261 -4.426 0.957 68 HD22 LEU 12 1HD2 LEU 12 8.329 -5.308 2.498 69 HD23 LEU 12 2HD2 LEU 12 7.273 -3.891 2.336 70 H CYS 13 H CYS 13 3.173 -6.077 3.844 71 HA CYS 13 HA CYS 13 3.099 -8.019 6.115 72 HB2 CYS 13 1HB CYS 13 2.661 -6.313 7.645 73 HB3 CYS 13 2HB CYS 13 4.091 -5.924 6.707 74 H LEU 14 H LEU 14 1.116 -7.358 3.593 75 HA LEU 14 HA LEU 14 -1.028 -7.737 3.098 76 HB2 LEU 14 1HB LEU 14 -0.724 -9.670 5.391 77 HB3 LEU 14 2HB LEU 14 -2.179 -9.585 4.433 78 HG LEU 14 HG LEU 14 -0.787 -11.397 3.723 79 HD11 LEU 14 1HD1 LEU 14 -0.853 -9.284 1.537 80 HD12 LEU 14 2HD1 LEU 14 -2.245 -10.255 2.069 81 HD13 LEU 14 3HD1 LEU 14 -0.836 -11.044 1.340 82 HD21 LEU 14 3HD2 LEU 14 1.464 -10.408 4.200 83 HD22 LEU 14 1HD2 LEU 14 1.301 -9.440 2.713 84 HD23 LEU 14 2HD2 LEU 14 1.322 -11.207 2.623 85 H LYS 15 H LYS 15 -0.535 -5.487 4.925 86 HA LYS 15 HA LYS 15 -3.081 -4.980 6.280 87 HB2 LYS 15 1HB LYS 15 -0.848 -4.077 6.963 88 HB3 LYS 15 2HB LYS 15 -0.830 -3.143 5.448 89 HG2 LYS 15 1HG LYS 15 -2.701 -1.794 6.162 90 HG3 LYS 15 2HG LYS 15 -3.061 -2.868 7.517 91 HD2 LYS 15 1HD LYS 15 -0.517 -1.199 7.291 92 HD3 LYS 15 2HD LYS 15 -1.983 -0.701 8.154 93 HE2 LYS 15 1HE LYS 15 -1.806 -2.793 9.555 94 HE3 LYS 15 2HE LYS 15 -0.253 -3.135 8.786 95 HZ1 LYS 15 3HZ LYS 15 0.572 -1.013 9.681 96 HZ2 LYS 15 1HZ LYS 15 0.037 -1.966 10.892 97 HZ3 LYS 15 2HZ LYS 15 -0.870 -0.708 10.390 98 H LYS 16 H LYS 16 -4.788 -3.762 5.561 99 HA LYS 16 HA LYS 16 -4.969 -3.300 2.642 100 HB2 LYS 16 1HB LYS 16 -6.528 -4.827 3.812 101 HB3 LYS 16 2HB LYS 16 -7.179 -3.455 4.717 102 HG2 LYS 16 1HG LYS 16 -8.021 -2.431 2.665 103 HG3 LYS 16 2HG LYS 16 -7.178 -3.630 1.666 104 HD2 LYS 16 1HD LYS 16 -8.547 -5.430 2.749 105 HD3 LYS 16 2HD LYS 16 -9.444 -4.165 3.623 106 HE2 LYS 16 1HE LYS 16 -10.092 -3.168 1.421 107 HE3 LYS 16 2HE LYS 16 -9.232 -4.483 0.595 108 HZ1 LYS 16 3HZ LYS 16 -11.670 -4.890 0.847 109 HZ2 LYS 16 1HZ LYS 16 -11.510 -4.896 2.465 110 HZ3 LYS 16 2HZ LYS 16 -10.779 -6.058 1.576 111 H PHE 17 H PHE 17 -5.805 -1.530 1.690 112 HA PHE 17 HA PHE 17 -5.876 1.068 3.147 113 HB2 PHE 17 1HB PHE 17 -4.139 0.340 0.753 114 HB3 PHE 17 2HB PHE 17 -4.380 1.979 1.340 115 HD1 PHE 17 2HD PHE 17 -3.576 2.664 3.607 116 HD2 PHE 17 1HD PHE 17 -2.624 -1.193 1.922 117 HE1 PHE 17 2HE PHE 17 -1.797 2.356 5.310 118 HE2 PHE 17 1HE PHE 17 -0.850 -1.492 3.623 119 HZ PHE 17 HZ PHE 17 -0.462 0.263 5.338 120 H VAL 18 H VAL 18 -6.884 2.756 2.109 121 HA VAL 18 HA VAL 18 -9.203 2.099 0.558 122 HB VAL 18 HB VAL 18 -9.119 3.800 2.316 123 HG11 VAL 18 1HG1 VAL 18 -6.898 4.829 1.845 124 HG12 VAL 18 2HG1 VAL 18 -7.573 5.574 0.376 125 HG13 VAL 18 3HG1 VAL 18 -8.194 6.019 1.973 126 HG21 VAL 18 3HG2 VAL 18 -10.899 3.899 0.596 127 HG22 VAL 18 1HG2 VAL 18 -10.502 5.482 1.289 128 HG23 VAL 18 2HG2 VAL 18 -9.918 5.062 -0.330 129 H SER 19 H SER 19 -6.070 3.384 -0.391 130 HA SER 19 HA SER 19 -6.731 3.137 -3.252 131 HB2 SER 19 1HB SER 19 -7.407 5.438 -2.780 132 HB3 SER 19 2HB SER 19 -5.846 5.768 -2.011 133 HG SER 19 HG SER 19 -6.053 6.439 -4.267 134 H SER 20 H SER 20 -4.800 3.085 -4.582 135 HA SER 20 HA SER 20 -2.630 1.708 -3.378 136 HB2 SER 20 1HB SER 20 -1.563 1.685 -5.456 137 HB3 SER 20 2HB SER 20 -3.288 1.611 -5.819 138 HG SER 20 HG SER 20 -3.237 3.759 -6.449 139 H ILE 21 H ILE 21 -3.060 5.184 -3.917 140 HA ILE 21 HA ILE 21 -0.395 6.076 -3.472 141 HB ILE 21 HB ILE 21 -3.053 7.354 -2.721 142 HG12 ILE 21 1HG1 ILE 21 -2.971 6.977 -5.105 143 HG13 ILE 21 2HG1 ILE 21 -2.802 8.686 -4.762 144 HG21 ILE 21 1HG2 ILE 21 -1.746 9.517 -2.778 145 HG22 ILE 21 2HG2 ILE 21 -1.387 8.460 -1.410 146 HG23 ILE 21 3HG2 ILE 21 -0.257 8.538 -2.777 147 HD11 ILE 21 3HD1 ILE 21 -0.562 6.792 -5.600 148 HD12 ILE 21 1HD1 ILE 21 -1.313 8.063 -6.570 149 HD13 ILE 21 2HD1 ILE 21 -0.328 8.505 -5.166 150 H ARG 22 H ARG 22 -2.922 5.239 -1.103 151 HA ARG 22 HA ARG 22 -1.356 6.095 1.222 152 HB2 ARG 22 1HB ARG 22 -3.921 4.479 0.879 153 HB3 ARG 22 2HB ARG 22 -3.144 4.698 2.437 154 HG2 ARG 22 1HG ARG 22 -4.858 6.325 2.288 155 HG3 ARG 22 2HG ARG 22 -3.305 7.170 2.196 156 HD2 ARG 22 1HD ARG 22 -3.591 7.484 -0.227 157 HD3 ARG 22 2HD ARG 22 -5.047 6.484 -0.192 158 HE ARG 22 HE ARG 22 -6.278 8.246 0.668 159 HH11 ARG 22 2HH1 ARG 22 -2.908 9.219 0.837 160 HH12 ARG 22 1HH1 ARG 22 -3.321 10.875 1.183 161 HH21 ARG 22 2HH2 ARG 22 -6.716 10.366 1.123 162 HH22 ARG 22 1HH2 ARG 22 -5.415 11.496 1.347 163 H LEU 23 H LEU 23 -1.789 3.049 -0.518 164 HA LEU 23 HA LEU 23 -0.208 1.457 1.291 165 HB2 LEU 23 1HB LEU 23 -1.792 0.381 -0.128 166 HB3 LEU 23 2HB LEU 23 -1.149 1.152 -1.575 167 HG LEU 23 HG LEU 23 0.908 -0.125 -1.428 168 HD11 LEU 23 1HD1 LEU 23 -0.326 -1.670 0.887 169 HD12 LEU 23 2HD1 LEU 23 0.936 -0.451 1.104 170 HD13 LEU 23 3HD1 LEU 23 1.289 -1.874 0.153 171 HD21 LEU 23 3HD2 LEU 23 -0.976 -1.053 -2.688 172 HD22 LEU 23 1HD2 LEU 23 -1.581 -1.861 -1.224 173 HD23 LEU 23 2HD2 LEU 23 -0.029 -2.349 -1.938 174 H ARG 24 H ARG 24 0.619 3.233 -1.758 175 HA ARG 24 HA ARG 24 3.300 2.334 -2.043 176 HB2 ARG 24 1HB ARG 24 1.970 4.991 -2.707 177 HB3 ARG 24 2HB ARG 24 3.630 4.628 -3.174 178 HG2 ARG 24 1HG ARG 24 2.997 2.874 -4.658 179 HG3 ARG 24 2HG ARG 24 1.381 2.760 -3.989 180 HD2 ARG 24 1HD ARG 24 1.174 5.285 -4.777 181 HD3 ARG 24 2HD ARG 24 2.513 4.878 -5.836 182 HE ARG 24 HE ARG 24 -0.294 3.951 -5.964 183 HH11 ARG 24 2HH1 ARG 24 2.902 3.333 -7.288 184 HH12 ARG 24 1HH1 ARG 24 2.240 2.510 -8.673 185 HH21 ARG 24 2HH2 ARG 24 -1.038 2.936 -7.667 186 HH22 ARG 24 1HH2 ARG 24 0.032 2.288 -8.896 187 H SER 25 H SER 25 2.172 5.285 -0.383 188 HA SER 25 HA SER 25 4.732 5.953 0.707 189 HB2 SER 25 1HB SER 25 1.891 6.755 1.413 190 HB3 SER 25 2HB SER 25 3.332 7.482 2.177 191 HG SER 25 HG SER 25 2.602 8.682 0.347 192 H HIS 26 H HIS 26 2.101 3.911 2.092 193 HA HIS 26 HA HIS 26 3.193 3.592 4.708 194 HB2 HIS 26 1HB HIS 26 1.091 2.639 4.440 195 HB3 HIS 26 2HB HIS 26 1.472 1.901 2.902 196 HD1 HIS 26 1HD HIS 26 1.905 1.215 6.637 197 HD2 HIS 26 2HD HIS 26 2.641 -0.523 2.880 198 HE1 HIS 26 1HE HIS 26 2.440 -1.222 7.093 199 H ILE 27 H ILE 27 3.966 1.795 1.668 200 HA ILE 27 HA ILE 27 5.826 0.029 2.901 201 HB ILE 27 HB ILE 27 5.843 1.011 0.026 202 HG12 ILE 27 1HG1 ILE 27 4.624 -1.586 1.074 203 HG13 ILE 27 2HG1 ILE 27 3.676 -0.137 0.815 204 HG21 ILE 27 1HG2 ILE 27 7.974 -0.094 0.785 205 HG22 ILE 27 2HG2 ILE 27 7.023 -1.541 1.205 206 HG23 ILE 27 3HG2 ILE 27 7.144 -0.989 -0.476 207 HD11 ILE 27 3HD1 ILE 27 3.428 -1.505 -1.130 208 HD12 ILE 27 1HD1 ILE 27 4.408 -0.089 -1.579 209 HD13 ILE 27 2HD1 ILE 27 5.178 -1.674 -1.324 210 H ARG 28 H ARG 28 6.343 3.267 1.459 211 HA ARG 28 HA ARG 28 9.210 3.211 1.845 212 HB2 ARG 28 1HB ARG 28 7.512 5.714 1.862 213 HB3 ARG 28 2HB ARG 28 9.204 5.531 1.409 214 HG2 ARG 28 1HG ARG 28 6.740 4.732 -0.156 215 HG3 ARG 28 2HG ARG 28 7.980 5.903 -0.599 216 HD2 ARG 28 1HD ARG 28 9.602 3.957 -0.716 217 HD3 ARG 28 2HD ARG 28 8.198 2.873 -0.505 218 HE ARG 28 HE ARG 28 7.662 4.649 -2.670 219 HH11 ARG 28 2HH1 ARG 28 9.910 2.069 -1.992 220 HH12 ARG 28 1HH1 ARG 28 9.782 1.395 -3.614 221 HH21 ARG 28 2HH2 ARG 28 7.855 3.932 -4.829 222 HH22 ARG 28 1HH2 ARG 28 8.962 2.617 -5.169 223 H GLU 29 H GLU 29 6.554 4.385 3.902 224 HA GLU 29 HA GLU 29 8.250 5.602 5.879 225 HB2 GLU 29 1HB GLU 29 5.338 4.743 5.852 226 HB3 GLU 29 2HB GLU 29 6.078 5.477 7.270 227 HG2 GLU 29 1HG GLU 29 6.064 6.818 4.534 228 HG3 GLU 29 2HG GLU 29 4.819 7.057 5.753 229 H VAL 30 H VAL 30 6.769 2.315 5.778 230 HA VAL 30 HA VAL 30 8.193 1.756 8.354 231 HB VAL 30 HB VAL 30 6.635 0.253 8.959 232 HG11 VAL 30 1HG1 VAL 30 5.002 2.470 7.665 233 HG12 VAL 30 2HG1 VAL 30 4.553 1.514 9.091 234 HG13 VAL 30 3HG1 VAL 30 5.926 2.636 9.178 235 HG21 VAL 30 3HG2 VAL 30 6.144 -1.023 6.965 236 HG22 VAL 30 1HG2 VAL 30 4.659 -0.478 7.729 237 HG23 VAL 30 2HG2 VAL 30 5.248 0.342 6.268 238 H HIS 31 H HIS 31 7.936 0.507 5.071 239 HA HIS 31 HA HIS 31 9.631 -1.835 5.876 240 HB2 HIS 31 1HB HIS 31 8.202 -1.363 3.253 241 HB3 HIS 31 2HB HIS 31 9.077 -2.802 3.740 242 HD1 HIS 31 1HD HIS 31 7.873 -3.660 6.406 243 HD2 HIS 31 2HD HIS 31 5.688 -1.990 3.239 244 HE1 HIS 31 1HE HIS 31 5.474 -4.410 6.742 245 H GLY 32 H GLY 32 9.839 1.266 4.470 246 HA2 GLY 32 1HA GLY 32 11.614 2.491 3.723 247 HA3 GLY 32 2HA GLY 32 12.661 1.281 4.474 248 H ALA 33 H ALA 33 10.547 0.399 1.783 249 HA ALA 33 HA ALA 33 12.681 -0.590 0.177 250 HB1 ALA 33 1HB ALA 33 10.902 -1.009 -1.462 251 HB2 ALA 33 2HB ALA 33 10.362 -1.481 0.162 252 HB3 ALA 33 3HB ALA 33 9.794 0.044 -0.561 253 H ALA 34 H ALA 34 14.046 0.540 -0.933 254 HA ALA 34 HA ALA 34 13.666 3.352 -1.535 255 HB1 ALA 34 1HB ALA 34 16.067 3.311 -2.040 256 HB2 ALA 34 2HB ALA 34 15.735 2.447 -0.528 257 HB3 ALA 34 3HB ALA 34 16.060 1.534 -2.022 258 H GLN 35 H GLN 35 12.607 0.907 -3.316 259 HA GLN 35 HA GLN 35 12.768 2.375 -5.907 260 HB2 GLN 35 1HB GLN 35 13.231 -0.616 -5.545 261 HB3 GLN 35 2HB GLN 35 12.949 0.191 -7.092 262 HG2 GLN 35 1HG GLN 35 14.987 1.591 -6.720 263 HG3 GLN 35 2HG GLN 35 15.306 0.710 -5.224 264 HE21 GLN 35 1HE2 GLN 35 17.396 0.596 -6.821 265 HE22 GLN 35 2HE2 GLN 35 17.471 -0.924 -7.703 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -21.512 4.911 7.624 2 H2 GLY 1 2H GLY 1 -19.944 5.084 7.175 3 H3 GLY 1 3H GLY 1 -20.802 3.793 6.653 4 HA2 GLY 1 1HA GLY 1 -22.275 5.225 5.375 5 HA3 GLY 1 2HA GLY 1 -21.300 6.607 5.915 6 H SER 2 H SER 2 -21.831 5.061 3.224 7 HA SER 2 HA SER 2 -20.747 4.273 1.395 8 HB2 SER 2 1HB SER 2 -18.590 6.246 2.203 9 HB3 SER 2 2HB SER 2 -18.819 5.532 0.596 10 HG SER 2 HG SER 2 -19.791 7.613 0.778 11 H SER 3 H SER 3 -20.506 2.580 3.522 12 HA SER 3 HA SER 3 -17.826 1.761 4.102 13 HB2 SER 3 1HB SER 3 -20.414 0.318 4.747 14 HB3 SER 3 2HB SER 3 -18.851 0.161 5.569 15 HG SER 3 HG SER 3 -20.204 1.516 6.743 16 H GLY 4 H GLY 4 -17.896 1.528 1.388 17 HA2 GLY 4 1HA GLY 4 -18.601 -1.058 0.343 18 HA3 GLY 4 2HA GLY 4 -17.542 0.121 -0.421 19 H SER 5 H SER 5 -17.294 -2.770 -0.342 20 HA SER 5 HA SER 5 -15.194 -3.507 1.519 21 HB2 SER 5 1HB SER 5 -16.321 -5.039 -0.848 22 HB3 SER 5 2HB SER 5 -15.349 -5.704 0.476 23 HG SER 5 HG SER 5 -17.603 -6.029 0.800 24 H SER 6 H SER 6 -14.930 -1.852 -1.414 25 HA SER 6 HA SER 6 -12.657 -3.186 -2.581 26 HB2 SER 6 1HB SER 6 -12.532 -1.135 -4.000 27 HB3 SER 6 2HB SER 6 -14.106 -1.944 -3.998 28 HG SER 6 HG SER 6 -14.292 0.341 -3.768 29 H GLY 7 H GLY 7 -10.520 -2.417 -2.830 30 HA2 GLY 7 1HA GLY 7 -9.223 -0.267 -1.670 31 HA3 GLY 7 2HA GLY 7 -9.273 -1.473 -0.384 32 H TYR 8 H TYR 8 -6.907 -0.977 -0.808 33 HA TYR 8 HA TYR 8 -5.685 -2.954 -2.710 34 HB2 TYR 8 1HB TYR 8 -4.597 -0.238 -1.867 35 HB3 TYR 8 2HB TYR 8 -3.821 -1.387 -2.947 36 HD1 TYR 8 2HD TYR 8 -6.753 0.890 -2.588 37 HD2 TYR 8 1HD TYR 8 -4.374 -1.496 -5.283 38 HE1 TYR 8 2HE TYR 8 -7.917 1.919 -4.527 39 HE2 TYR 8 1HE TYR 8 -5.519 -0.445 -7.222 40 HH TYR 8 HH TYR 8 -7.117 1.050 -7.916 41 H VAL 9 H VAL 9 -3.693 -3.997 -1.919 42 HA VAL 9 HA VAL 9 -3.390 -3.871 1.046 43 HB VAL 9 HB VAL 9 -3.532 -6.458 -0.531 44 HG11 VAL 9 1HG1 VAL 9 -3.785 -7.445 1.732 45 HG12 VAL 9 2HG1 VAL 9 -2.267 -6.552 1.601 46 HG13 VAL 9 3HG1 VAL 9 -3.638 -5.828 2.455 47 HG21 VAL 9 3HG2 VAL 9 -5.730 -6.825 0.562 48 HG22 VAL 9 1HG2 VAL 9 -5.677 -5.172 1.208 49 HG23 VAL 9 2HG2 VAL 9 -5.793 -5.457 -0.547 50 H CYS 10 H CYS 10 -1.455 -4.179 1.902 51 HA CYS 10 HA CYS 10 0.968 -3.801 0.476 52 HB2 CYS 10 1HB CYS 10 0.486 -3.235 2.825 53 HB3 CYS 10 2HB CYS 10 0.454 -4.960 3.221 54 H ALA 11 H ALA 11 2.443 -5.105 -0.393 55 HA ALA 11 HA ALA 11 1.838 -7.966 -0.751 56 HB1 ALA 11 1HB ALA 11 2.542 -6.580 -2.663 57 HB2 ALA 11 2HB ALA 11 4.090 -6.236 -1.857 58 HB3 ALA 11 3HB ALA 11 3.691 -7.894 -2.354 59 H LEU 12 H LEU 12 3.404 -6.203 1.632 60 HA LEU 12 HA LEU 12 5.499 -8.272 2.158 61 HB2 LEU 12 1HB LEU 12 5.354 -5.411 3.166 62 HB3 LEU 12 2HB LEU 12 6.645 -6.570 3.383 63 HG LEU 12 HG LEU 12 6.882 -6.516 0.774 64 HD11 LEU 12 1HD1 LEU 12 4.879 -5.172 0.156 65 HD12 LEU 12 2HD1 LEU 12 6.343 -4.264 -0.197 66 HD13 LEU 12 3HD1 LEU 12 5.393 -3.878 1.248 67 HD21 LEU 12 3HD2 LEU 12 8.474 -5.593 2.412 68 HD22 LEU 12 1HD2 LEU 12 7.483 -4.126 2.526 69 HD23 LEU 12 2HD2 LEU 12 8.331 -4.512 1.009 70 H CYS 13 H CYS 13 3.277 -6.129 3.925 71 HA CYS 13 HA CYS 13 3.133 -8.120 6.146 72 HB2 CYS 13 1HB CYS 13 2.650 -6.422 7.687 73 HB3 CYS 13 2HB CYS 13 4.119 -6.038 6.812 74 H LEU 14 H LEU 14 1.257 -7.248 3.586 75 HA LEU 14 HA LEU 14 -0.875 -7.555 2.970 76 HB2 LEU 14 1HB LEU 14 -0.544 -9.747 5.000 77 HB3 LEU 14 2HB LEU 14 -2.041 -9.544 4.107 78 HG LEU 14 HG LEU 14 -0.894 -9.767 1.960 79 HD11 LEU 14 1HD1 LEU 14 1.385 -9.041 2.366 80 HD12 LEU 14 2HD1 LEU 14 1.424 -10.731 1.896 81 HD13 LEU 14 3HD1 LEU 14 1.615 -10.297 3.610 82 HD21 LEU 14 3HD2 LEU 14 -0.288 -12.023 3.915 83 HD22 LEU 14 1HD2 LEU 14 -0.441 -12.170 2.150 84 HD23 LEU 14 2HD2 LEU 14 -1.851 -11.725 3.120 85 H LYS 15 H LYS 15 -0.492 -5.473 4.962 86 HA LYS 15 HA LYS 15 -3.079 -5.078 6.266 87 HB2 LYS 15 1HB LYS 15 -0.886 -4.112 7.017 88 HB3 LYS 15 2HB LYS 15 -0.873 -3.146 5.520 89 HG2 LYS 15 1HG LYS 15 -2.804 -1.875 6.237 90 HG3 LYS 15 2HG LYS 15 -3.134 -3.003 7.567 91 HD2 LYS 15 1HD LYS 15 -1.089 -2.309 8.722 92 HD3 LYS 15 2HD LYS 15 -0.659 -1.229 7.378 93 HE2 LYS 15 1HE LYS 15 -2.725 0.080 7.744 94 HE3 LYS 15 2HE LYS 15 -3.219 -1.025 9.031 95 HZ1 LYS 15 3HZ LYS 15 -0.797 0.697 9.117 96 HZ2 LYS 15 1HZ LYS 15 -1.257 -0.334 10.300 97 HZ3 LYS 15 2HZ LYS 15 -2.177 0.963 9.943 98 H LYS 16 H LYS 16 -4.807 -3.875 5.556 99 HA LYS 16 HA LYS 16 -4.955 -3.271 2.662 100 HB2 LYS 16 1HB LYS 16 -6.542 -4.836 3.736 101 HB3 LYS 16 2HB LYS 16 -7.182 -3.509 4.713 102 HG2 LYS 16 1HG LYS 16 -8.019 -2.367 2.728 103 HG3 LYS 16 2HG LYS 16 -7.168 -3.499 1.659 104 HD2 LYS 16 1HD LYS 16 -8.549 -5.368 2.594 105 HD3 LYS 16 2HD LYS 16 -9.447 -4.173 3.561 106 HE2 LYS 16 1HE LYS 16 -10.100 -3.008 1.451 107 HE3 LYS 16 2HE LYS 16 -9.222 -4.234 0.517 108 HZ1 LYS 16 3HZ LYS 16 -11.651 -4.692 0.709 109 HZ2 LYS 16 1HZ LYS 16 -11.507 -4.836 2.324 110 HZ3 LYS 16 2HZ LYS 16 -10.754 -5.907 1.345 111 H PHE 17 H PHE 17 -5.785 -1.449 1.794 112 HA PHE 17 HA PHE 17 -5.779 1.088 3.358 113 HB2 PHE 17 1HB PHE 17 -4.118 0.384 0.897 114 HB3 PHE 17 2HB PHE 17 -4.317 2.013 1.518 115 HD1 PHE 17 2HD PHE 17 -3.519 2.611 3.830 116 HD2 PHE 17 1HD PHE 17 -2.555 -1.158 1.954 117 HE1 PHE 17 2HE PHE 17 -1.760 2.208 5.537 118 HE2 PHE 17 1HE PHE 17 -0.796 -1.545 3.655 119 HZ PHE 17 HZ PHE 17 -0.436 0.109 5.469 120 H VAL 18 H VAL 18 -6.738 2.865 2.369 121 HA VAL 18 HA VAL 18 -9.095 2.315 0.819 122 HB VAL 18 HB VAL 18 -8.993 3.970 2.605 123 HG11 VAL 18 1HG1 VAL 18 -6.754 4.932 2.251 124 HG12 VAL 18 2HG1 VAL 18 -7.300 5.701 0.743 125 HG13 VAL 18 3HG1 VAL 18 -7.994 6.184 2.298 126 HG21 VAL 18 3HG2 VAL 18 -10.733 4.159 0.848 127 HG22 VAL 18 1HG2 VAL 18 -10.318 5.708 1.601 128 HG23 VAL 18 2HG2 VAL 18 -9.708 5.326 -0.018 129 H SER 19 H SER 19 -5.903 3.501 -0.133 130 HA SER 19 HA SER 19 -6.743 3.395 -2.969 131 HB2 SER 19 1HB SER 19 -6.067 5.511 -3.562 132 HB3 SER 19 2HB SER 19 -6.856 5.812 -2.008 133 HG SER 19 HG SER 19 -4.909 6.877 -2.045 134 H SER 20 H SER 20 -4.947 3.325 -4.493 135 HA SER 20 HA SER 20 -2.755 1.688 -3.605 136 HB2 SER 20 1HB SER 20 -1.985 1.790 -5.882 137 HB3 SER 20 2HB SER 20 -3.731 1.533 -5.840 138 HG SER 20 HG SER 20 -3.596 3.134 -7.264 139 H ILE 21 H ILE 21 -3.219 5.147 -3.648 140 HA ILE 21 HA ILE 21 -0.376 5.870 -3.638 141 HB ILE 21 HB ILE 21 -2.941 7.399 -3.101 142 HG12 ILE 21 1HG1 ILE 21 -2.087 8.832 -4.956 143 HG13 ILE 21 2HG1 ILE 21 -0.719 7.742 -5.169 144 HG21 ILE 21 1HG2 ILE 21 -0.094 8.401 -2.703 145 HG22 ILE 21 2HG2 ILE 21 -1.531 9.443 -2.817 146 HG23 ILE 21 3HG2 ILE 21 -1.387 8.314 -1.479 147 HD11 ILE 21 3HD1 ILE 21 -2.589 7.467 -6.825 148 HD12 ILE 21 1HD1 ILE 21 -2.196 5.979 -5.963 149 HD13 ILE 21 2HD1 ILE 21 -3.639 6.919 -5.503 150 H ARG 22 H ARG 22 -2.933 5.438 -1.124 151 HA ARG 22 HA ARG 22 -1.168 5.960 1.108 152 HB2 ARG 22 1HB ARG 22 -3.599 4.129 1.081 153 HB3 ARG 22 2HB ARG 22 -2.818 4.825 2.495 154 HG2 ARG 22 1HG ARG 22 -4.572 6.169 0.448 155 HG3 ARG 22 2HG ARG 22 -4.782 6.061 2.183 156 HD2 ARG 22 1HD ARG 22 -2.742 7.753 0.716 157 HD3 ARG 22 2HD ARG 22 -4.226 8.333 1.438 158 HE ARG 22 HE ARG 22 -1.725 7.668 2.821 159 HH11 ARG 22 2HH1 ARG 22 -5.149 8.218 3.353 160 HH12 ARG 22 1HH1 ARG 22 -4.917 8.549 5.047 161 HH21 ARG 22 2HH2 ARG 22 -1.513 8.090 4.986 162 HH22 ARG 22 1HH2 ARG 22 -2.915 8.481 5.937 163 H LEU 23 H LEU 23 -1.822 3.009 -0.728 164 HA LEU 23 HA LEU 23 -0.254 1.226 0.884 165 HB2 LEU 23 1HB LEU 23 -1.900 0.332 -0.569 166 HB3 LEU 23 2HB LEU 23 -1.295 1.234 -1.958 167 HG LEU 23 HG LEU 23 0.691 -0.132 -2.100 168 HD11 LEU 23 1HD1 LEU 23 1.008 -2.129 -0.753 169 HD12 LEU 23 2HD1 LEU 23 -0.423 -1.735 0.242 170 HD13 LEU 23 3HD1 LEU 23 1.031 -0.727 0.305 171 HD21 LEU 23 3HD2 LEU 23 -1.798 -1.853 -1.802 172 HD22 LEU 23 1HD2 LEU 23 -0.355 -2.251 -2.749 173 HD23 LEU 23 2HD2 LEU 23 -1.374 -0.885 -3.238 174 H ARG 24 H ARG 24 0.604 3.074 -2.147 175 HA ARG 24 HA ARG 24 3.293 2.198 -2.304 176 HB2 ARG 24 1HB ARG 24 1.953 4.838 -3.028 177 HB3 ARG 24 2HB ARG 24 3.677 4.612 -3.273 178 HG2 ARG 24 1HG ARG 24 3.311 2.732 -4.799 179 HG3 ARG 24 2HG ARG 24 1.565 2.829 -4.549 180 HD2 ARG 24 1HD ARG 24 1.714 5.274 -5.339 181 HD3 ARG 24 2HD ARG 24 3.389 4.950 -5.768 182 HE ARG 24 HE ARG 24 2.697 3.767 -7.646 183 HH11 ARG 24 2HH1 ARG 24 -0.086 4.092 -5.584 184 HH12 ARG 24 1HH1 ARG 24 -1.234 3.853 -6.872 185 HH21 ARG 24 2HH2 ARG 24 1.208 3.319 -9.262 186 HH22 ARG 24 1HH2 ARG 24 -0.493 3.346 -8.900 187 H SER 25 H SER 25 2.058 5.046 -0.566 188 HA SER 25 HA SER 25 4.624 5.810 0.476 189 HB2 SER 25 1HB SER 25 1.772 6.559 1.175 190 HB3 SER 25 2HB SER 25 3.196 7.320 1.936 191 HG SER 25 HG SER 25 2.453 8.488 0.091 192 H HIS 26 H HIS 26 2.042 3.757 1.901 193 HA HIS 26 HA HIS 26 3.020 3.501 4.541 194 HB2 HIS 26 1HB HIS 26 0.986 2.426 4.104 195 HB3 HIS 26 2HB HIS 26 1.560 1.673 2.630 196 HD1 HIS 26 1HD HIS 26 1.904 1.170 6.436 197 HD2 HIS 26 2HD HIS 26 2.635 -0.737 2.759 198 HE1 HIS 26 1HE HIS 26 2.424 -1.247 7.001 199 H ILE 27 H ILE 27 4.060 1.716 1.604 200 HA ILE 27 HA ILE 27 5.876 -0.011 2.930 201 HB ILE 27 HB ILE 27 6.058 1.013 0.078 202 HG12 ILE 27 1HG1 ILE 27 4.707 -1.566 0.998 203 HG13 ILE 27 2HG1 ILE 27 3.817 -0.086 0.710 204 HG21 ILE 27 1HG2 ILE 27 7.349 -0.949 -0.409 205 HG22 ILE 27 2HG2 ILE 27 8.105 -0.196 0.991 206 HG23 ILE 27 3HG2 ILE 27 7.067 -1.621 1.211 207 HD11 ILE 27 3HD1 ILE 27 4.706 -0.011 -1.629 208 HD12 ILE 27 1HD1 ILE 27 5.407 -1.626 -1.358 209 HD13 ILE 27 2HD1 ILE 27 3.651 -1.399 -1.272 210 H ARG 28 H ARG 28 6.346 3.299 1.721 211 HA ARG 28 HA ARG 28 9.239 3.254 2.153 212 HB2 ARG 28 1HB ARG 28 7.637 5.783 2.022 213 HB3 ARG 28 2HB ARG 28 9.266 5.453 1.437 214 HG2 ARG 28 1HG ARG 28 6.618 4.622 0.233 215 HG3 ARG 28 2HG ARG 28 7.750 5.775 -0.448 216 HD2 ARG 28 1HD ARG 28 9.236 4.089 -1.157 217 HD3 ARG 28 2HD ARG 28 8.522 2.856 -0.094 218 HE ARG 28 HE ARG 28 6.394 3.377 -1.578 219 HH11 ARG 28 1HH1 ARG 28 9.664 2.591 -2.639 220 HH12 ARG 28 2HH1 ARG 28 9.090 1.941 -4.153 221 HH21 ARG 28 2HH2 ARG 28 5.771 2.532 -3.518 222 HH22 ARG 28 1HH2 ARG 28 6.953 1.883 -4.618 223 H GLU 29 H GLU 29 6.447 4.311 4.031 224 HA GLU 29 HA GLU 29 7.940 5.612 6.124 225 HB2 GLU 29 1HB GLU 29 5.106 4.528 5.944 226 HB3 GLU 29 2HB GLU 29 5.721 5.335 7.381 227 HG2 GLU 29 1HG GLU 29 5.688 6.630 4.621 228 HG3 GLU 29 2HG GLU 29 4.403 6.796 5.809 229 H VAL 30 H VAL 30 6.713 2.230 5.858 230 HA VAL 30 HA VAL 30 8.120 1.668 8.446 231 HB VAL 30 HB VAL 30 6.566 0.100 9.008 232 HG11 VAL 30 1HG1 VAL 30 4.940 2.371 7.815 233 HG12 VAL 30 2HG1 VAL 30 4.500 1.364 9.210 234 HG13 VAL 30 3HG1 VAL 30 5.876 2.479 9.325 235 HG21 VAL 30 3HG2 VAL 30 5.174 0.342 6.325 236 HG22 VAL 30 1HG2 VAL 30 6.072 -1.064 6.933 237 HG23 VAL 30 2HG2 VAL 30 4.591 -0.565 7.737 238 H HIS 31 H HIS 31 7.902 0.496 5.143 239 HA HIS 31 HA HIS 31 9.650 -1.828 5.894 240 HB2 HIS 31 1HB HIS 31 8.209 -1.372 3.278 241 HB3 HIS 31 2HB HIS 31 9.105 -2.795 3.769 242 HD1 HIS 31 1HD HIS 31 7.886 -3.683 6.420 243 HD2 HIS 31 2HD HIS 31 5.714 -2.049 3.225 244 HE1 HIS 31 1HE HIS 31 5.503 -4.498 6.709 245 H GLY 32 H GLY 32 9.817 1.300 4.639 246 HA2 GLY 32 1HA GLY 32 11.591 2.587 4.077 247 HA3 GLY 32 2HA GLY 32 12.655 1.266 4.587 248 H ALA 33 H ALA 33 10.397 0.943 1.866 249 HA ALA 33 HA ALA 33 12.571 0.344 0.036 250 HB1 ALA 33 1HB ALA 33 9.616 0.606 -0.519 251 HB2 ALA 33 2HB ALA 33 10.836 -0.212 -1.518 252 HB3 ALA 33 3HB ALA 33 10.425 -0.873 0.082 253 H ALA 34 H ALA 34 13.197 2.710 0.715 254 HA ALA 34 HA ALA 34 12.559 4.594 -1.529 255 HB1 ALA 34 1HB ALA 34 12.995 5.279 1.407 256 HB2 ALA 34 2HB ALA 34 12.629 6.428 0.100 257 HB3 ALA 34 3HB ALA 34 11.425 5.219 0.575 258 H GLN 35 H GLN 35 14.946 2.682 -0.742 259 HA GLN 35 HA GLN 35 17.129 4.511 -1.600 260 HB2 GLN 35 1HB GLN 35 17.245 2.575 0.752 261 HB3 GLN 35 2HB GLN 35 18.658 3.322 0.017 262 HG2 GLN 35 1HG GLN 35 16.403 4.895 1.345 263 HG3 GLN 35 2HG GLN 35 17.887 4.396 2.140 264 HE21 GLN 35 1HE2 GLN 35 16.615 6.521 -0.462 265 HE22 GLN 35 2HE2 GLN 35 18.035 7.574 -0.468 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -27.456 -4.569 7.219 2 H2 GLY 1 2H GLY 1 -28.098 -4.812 5.731 3 H3 GLY 1 3H GLY 1 -27.047 -3.579 5.982 4 HA2 GLY 1 1HA GLY 1 -26.386 -6.445 6.164 5 HA3 GLY 1 2HA GLY 1 -25.955 -5.382 4.812 6 H SER 2 H SER 2 -24.091 -6.874 6.368 7 HA SER 2 HA SER 2 -22.810 -5.321 8.402 8 HB2 SER 2 1HB SER 2 -21.625 -7.484 6.623 9 HB3 SER 2 2HB SER 2 -20.971 -6.919 8.169 10 HG SER 2 HG SER 2 -22.830 -7.717 9.205 11 H SER 3 H SER 3 -20.923 -4.102 8.408 12 HA SER 3 HA SER 3 -20.481 -2.385 6.162 13 HB2 SER 3 1HB SER 3 -18.823 -2.717 8.687 14 HB3 SER 3 2HB SER 3 -18.757 -1.350 7.559 15 HG SER 3 HG SER 3 -20.106 -0.918 9.373 16 H GLY 4 H GLY 4 -18.676 -2.041 4.875 17 HA2 GLY 4 1HA GLY 4 -16.193 -3.398 4.987 18 HA3 GLY 4 2HA GLY 4 -17.219 -4.248 3.826 19 H SER 5 H SER 5 -14.775 -2.841 3.239 20 HA SER 5 HA SER 5 -15.707 -0.718 1.354 21 HB2 SER 5 1HB SER 5 -13.394 -0.443 3.312 22 HB3 SER 5 2HB SER 5 -13.809 0.707 2.028 23 HG SER 5 HG SER 5 -14.661 1.327 4.073 24 H SER 6 H SER 6 -14.564 -0.483 -0.499 25 HA SER 6 HA SER 6 -12.731 -2.523 -1.420 26 HB2 SER 6 1HB SER 6 -13.408 0.196 -2.607 27 HB3 SER 6 2HB SER 6 -12.562 -1.126 -3.433 28 HG SER 6 HG SER 6 -14.813 -1.095 -3.916 29 H GLY 7 H GLY 7 -10.520 -2.188 -2.144 30 HA2 GLY 7 1HA GLY 7 -8.903 0.053 -1.646 31 HA3 GLY 7 2HA GLY 7 -8.862 -0.912 -0.172 32 H TYR 8 H TYR 8 -6.575 -0.840 -0.788 33 HA TYR 8 HA TYR 8 -5.724 -3.060 -2.618 34 HB2 TYR 8 1HB TYR 8 -4.266 -0.441 -2.093 35 HB3 TYR 8 2HB TYR 8 -3.781 -1.727 -3.189 36 HD1 TYR 8 2HD TYR 8 -6.314 0.951 -2.624 37 HD2 TYR 8 1HD TYR 8 -4.622 -1.855 -5.435 38 HE1 TYR 8 2HE TYR 8 -7.530 2.077 -4.486 39 HE2 TYR 8 1HE TYR 8 -5.827 -0.719 -7.290 40 HH TYR 8 HH TYR 8 -7.259 0.972 -7.885 41 H VAL 9 H VAL 9 -3.749 -4.205 -1.913 42 HA VAL 9 HA VAL 9 -3.356 -4.018 1.049 43 HB VAL 9 HB VAL 9 -3.524 -6.568 -0.577 44 HG11 VAL 9 1HG1 VAL 9 -3.639 -7.620 1.705 45 HG12 VAL 9 2HG1 VAL 9 -2.090 -6.840 1.382 46 HG13 VAL 9 3HG1 VAL 9 -3.281 -6.033 2.420 47 HG21 VAL 9 3HG2 VAL 9 -5.635 -6.977 0.624 48 HG22 VAL 9 1HG2 VAL 9 -5.515 -5.392 1.410 49 HG23 VAL 9 2HG2 VAL 9 -5.770 -5.512 -0.349 50 H CYS 10 H CYS 10 -1.430 -4.228 1.926 51 HA CYS 10 HA CYS 10 1.007 -3.867 0.504 52 HB2 CYS 10 1HB CYS 10 0.495 -3.148 2.800 53 HB3 CYS 10 2HB CYS 10 0.465 -4.846 3.316 54 H ALA 11 H ALA 11 2.169 -5.236 -0.645 55 HA ALA 11 HA ALA 11 1.714 -8.100 -0.629 56 HB1 ALA 11 1HB ALA 11 3.499 -8.114 -2.326 57 HB2 ALA 11 2HB ALA 11 2.303 -6.851 -2.665 58 HB3 ALA 11 3HB ALA 11 3.879 -6.417 -1.965 59 H LEU 12 H LEU 12 3.409 -6.178 1.542 60 HA LEU 12 HA LEU 12 5.537 -8.188 2.112 61 HB2 LEU 12 1HB LEU 12 5.253 -5.316 3.071 62 HB3 LEU 12 2HB LEU 12 6.572 -6.419 3.393 63 HG LEU 12 HG LEU 12 7.021 -6.459 0.880 64 HD11 LEU 12 1HD1 LEU 12 6.355 -4.318 -0.322 65 HD12 LEU 12 2HD1 LEU 12 5.140 -4.053 0.941 66 HD13 LEU 12 3HD1 LEU 12 5.041 -5.462 -0.135 67 HD21 LEU 12 3HD2 LEU 12 8.302 -5.175 2.594 68 HD22 LEU 12 1HD2 LEU 12 7.193 -3.814 2.332 69 HD23 LEU 12 2HD2 LEU 12 8.269 -4.349 1.023 70 H CYS 13 H CYS 13 3.179 -6.158 3.818 71 HA CYS 13 HA CYS 13 3.122 -8.143 6.051 72 HB2 CYS 13 1HB CYS 13 2.714 -6.500 7.639 73 HB3 CYS 13 2HB CYS 13 4.129 -6.074 6.697 74 H LEU 14 H LEU 14 1.150 -7.445 3.550 75 HA LEU 14 HA LEU 14 -0.982 -7.897 3.033 76 HB2 LEU 14 1HB LEU 14 -0.616 -9.853 5.305 77 HB3 LEU 14 2HB LEU 14 -2.042 -9.828 4.300 78 HG LEU 14 HG LEU 14 -0.553 -11.558 3.606 79 HD11 LEU 14 1HD1 LEU 14 -0.520 -11.160 1.228 80 HD12 LEU 14 2HD1 LEU 14 -0.620 -9.406 1.458 81 HD13 LEU 14 3HD1 LEU 14 -1.988 -10.445 1.915 82 HD21 LEU 14 3HD2 LEU 14 1.588 -11.267 2.601 83 HD22 LEU 14 1HD2 LEU 14 1.636 -10.484 4.191 84 HD23 LEU 14 2HD2 LEU 14 1.494 -9.504 2.709 85 H LYS 15 H LYS 15 -0.657 -5.615 4.691 86 HA LYS 15 HA LYS 15 -3.239 -5.306 6.121 87 HB2 LYS 15 1HB LYS 15 -1.052 -4.530 7.044 88 HB3 LYS 15 2HB LYS 15 -0.920 -3.416 5.668 89 HG2 LYS 15 1HG LYS 15 -2.847 -2.147 6.420 90 HG3 LYS 15 2HG LYS 15 -3.254 -3.359 7.641 91 HD2 LYS 15 1HD LYS 15 -0.699 -1.691 7.666 92 HD3 LYS 15 2HD LYS 15 -2.184 -1.275 8.538 93 HE2 LYS 15 1HE LYS 15 -2.053 -3.467 9.752 94 HE3 LYS 15 2HE LYS 15 -0.511 -3.796 8.949 95 HZ1 LYS 15 3HZ LYS 15 0.396 -1.802 10.021 96 HZ2 LYS 15 1HZ LYS 15 -0.179 -2.830 11.149 97 HZ3 LYS 15 2HZ LYS 15 -1.031 -1.497 10.760 98 H LYS 16 H LYS 16 -4.895 -3.965 5.453 99 HA LYS 16 HA LYS 16 -4.918 -3.244 2.588 100 HB2 LYS 16 1HB LYS 16 -6.679 -4.694 3.705 101 HB3 LYS 16 2HB LYS 16 -7.280 -3.228 4.490 102 HG2 LYS 16 1HG LYS 16 -7.697 -2.216 2.238 103 HG3 LYS 16 2HG LYS 16 -7.020 -3.661 1.473 104 HD2 LYS 16 1HD LYS 16 -8.841 -4.981 2.746 105 HD3 LYS 16 2HD LYS 16 -9.573 -3.398 3.094 106 HE2 LYS 16 1HE LYS 16 -9.612 -2.948 0.611 107 HE3 LYS 16 2HE LYS 16 -8.948 -4.569 0.345 108 HZ1 LYS 16 3HZ LYS 16 -11.620 -3.892 1.465 109 HZ2 LYS 16 1HZ LYS 16 -10.991 -5.410 1.540 110 HZ3 LYS 16 2HZ LYS 16 -11.303 -4.717 0.099 111 H PHE 17 H PHE 17 -5.507 -1.335 1.740 112 HA PHE 17 HA PHE 17 -5.548 1.125 3.428 113 HB2 PHE 17 1HB PHE 17 -3.748 0.532 1.043 114 HB3 PHE 17 2HB PHE 17 -3.973 2.137 1.732 115 HD1 PHE 17 2HD PHE 17 -3.288 2.638 4.078 116 HD2 PHE 17 1HD PHE 17 -2.332 -1.118 2.178 117 HE1 PHE 17 2HE PHE 17 -1.732 2.091 5.936 118 HE2 PHE 17 1HE PHE 17 -0.768 -1.648 4.027 119 HZ PHE 17 HZ PHE 17 -0.517 -0.074 5.931 120 H VAL 18 H VAL 18 -6.518 2.910 2.572 121 HA VAL 18 HA VAL 18 -8.869 2.493 1.046 122 HB VAL 18 HB VAL 18 -8.631 4.108 2.851 123 HG11 VAL 18 1HG1 VAL 18 -7.524 6.265 2.586 124 HG12 VAL 18 2HG1 VAL 18 -6.342 4.969 2.415 125 HG13 VAL 18 3HG1 VAL 18 -6.946 5.820 0.972 126 HG21 VAL 18 3HG2 VAL 18 -10.416 4.474 1.152 127 HG22 VAL 18 1HG2 VAL 18 -9.872 5.958 1.961 128 HG23 VAL 18 2HG2 VAL 18 -9.334 5.616 0.311 129 H SER 19 H SER 19 -5.702 3.483 -0.047 130 HA SER 19 HA SER 19 -6.611 3.667 -2.859 131 HB2 SER 19 1HB SER 19 -6.836 5.952 -2.175 132 HB3 SER 19 2HB SER 19 -5.292 5.922 -1.312 133 HG SER 19 HG SER 19 -5.339 6.909 -3.497 134 H SER 20 H SER 20 -4.915 3.373 -4.374 135 HA SER 20 HA SER 20 -2.750 1.703 -3.514 136 HB2 SER 20 1HB SER 20 -2.088 1.632 -5.803 137 HB3 SER 20 2HB SER 20 -3.853 1.554 -5.722 138 HG SER 20 HG SER 20 -3.537 3.071 -7.230 139 H ILE 21 H ILE 21 -3.056 5.184 -3.850 140 HA ILE 21 HA ILE 21 -0.207 5.816 -3.783 141 HB ILE 21 HB ILE 21 -2.673 7.421 -3.001 142 HG12 ILE 21 1HG1 ILE 21 -2.701 6.873 -5.377 143 HG13 ILE 21 2HG1 ILE 21 -2.422 8.583 -5.121 144 HG21 ILE 21 1HG2 ILE 21 -1.138 9.419 -3.256 145 HG22 ILE 21 2HG2 ILE 21 -0.852 8.421 -1.832 146 HG23 ILE 21 3HG2 ILE 21 0.230 8.280 -3.232 147 HD11 ILE 21 3HD1 ILE 21 -0.293 6.540 -5.899 148 HD12 ILE 21 1HD1 ILE 21 -1.040 7.750 -6.951 149 HD13 ILE 21 2HD1 ILE 21 0.002 8.272 -5.618 150 H ARG 22 H ARG 22 -2.689 5.274 -1.297 151 HA ARG 22 HA ARG 22 -0.881 5.929 0.944 152 HB2 ARG 22 1HB ARG 22 -3.594 4.560 0.929 153 HB3 ARG 22 2HB ARG 22 -2.760 5.192 2.345 154 HG2 ARG 22 1HG ARG 22 -3.721 6.918 -0.001 155 HG3 ARG 22 2HG ARG 22 -4.619 6.622 1.472 156 HD2 ARG 22 1HD ARG 22 -3.664 8.747 1.670 157 HD3 ARG 22 2HD ARG 22 -2.819 7.683 2.801 158 HE ARG 22 HE ARG 22 -1.270 7.727 0.444 159 HH11 ARG 22 2HH1 ARG 22 -2.296 10.152 2.747 160 HH12 ARG 22 1HH1 ARG 22 -0.814 11.056 2.602 161 HH21 ARG 22 2HH2 ARG 22 0.721 8.848 0.469 162 HH22 ARG 22 1HH2 ARG 22 0.786 10.370 1.295 163 H LEU 23 H LEU 23 -1.832 2.993 -0.759 164 HA LEU 23 HA LEU 23 -0.373 1.162 0.911 165 HB2 LEU 23 1HB LEU 23 -1.987 0.287 -0.598 166 HB3 LEU 23 2HB LEU 23 -1.323 1.184 -1.963 167 HG LEU 23 HG LEU 23 0.644 -0.208 -2.052 168 HD11 LEU 23 1HD1 LEU 23 0.889 -2.208 -0.706 169 HD12 LEU 23 2HD1 LEU 23 -0.568 -1.802 0.245 170 HD13 LEU 23 3HD1 LEU 23 0.895 -0.815 0.365 171 HD21 LEU 23 3HD2 LEU 23 -1.403 -0.933 -3.248 172 HD22 LEU 23 1HD2 LEU 23 -1.860 -1.914 -1.829 173 HD23 LEU 23 2HD2 LEU 23 -0.397 -2.306 -2.748 174 H ARG 24 H ARG 24 0.609 2.976 -2.103 175 HA ARG 24 HA ARG 24 3.319 2.123 -2.155 176 HB2 ARG 24 1HB ARG 24 1.993 4.754 -2.909 177 HB3 ARG 24 2HB ARG 24 3.721 4.523 -3.099 178 HG2 ARG 24 1HG ARG 24 3.410 2.656 -4.645 179 HG3 ARG 24 2HG ARG 24 1.659 2.717 -4.430 180 HD2 ARG 24 1HD ARG 24 1.757 5.147 -5.253 181 HD3 ARG 24 2HD ARG 24 3.452 4.874 -5.630 182 HE ARG 24 HE ARG 24 2.853 3.664 -7.515 183 HH11 ARG 24 1HH1 ARG 24 -0.003 3.840 -5.528 184 HH12 ARG 24 2HH1 ARG 24 -1.100 3.616 -6.864 185 HH21 ARG 24 2HH2 ARG 24 1.433 3.189 -9.180 186 HH22 ARG 24 1HH2 ARG 24 -0.278 3.132 -8.867 187 H SER 25 H SER 25 1.945 4.957 -0.566 188 HA SER 25 HA SER 25 4.331 5.966 0.586 189 HB2 SER 25 1HB SER 25 1.413 6.212 1.415 190 HB3 SER 25 2HB SER 25 2.720 7.246 2.046 191 HG SER 25 HG SER 25 1.804 7.021 -0.650 192 H HIS 26 H HIS 26 1.886 3.737 2.027 193 HA HIS 26 HA HIS 26 2.946 3.451 4.621 194 HB2 HIS 26 1HB HIS 26 0.896 2.376 4.186 195 HB3 HIS 26 2HB HIS 26 1.472 1.614 2.718 196 HD1 HIS 26 1HD HIS 26 1.815 1.154 6.526 197 HD2 HIS 26 2HD HIS 26 2.621 -0.761 2.868 198 HE1 HIS 26 1HE HIS 26 2.426 -1.237 7.117 199 H ILE 27 H ILE 27 3.922 1.699 1.629 200 HA ILE 27 HA ILE 27 5.819 0.013 2.914 201 HB ILE 27 HB ILE 27 5.861 1.001 0.042 202 HG12 ILE 27 1HG1 ILE 27 4.701 -1.644 1.040 203 HG13 ILE 27 2HG1 ILE 27 3.707 -0.222 0.808 204 HG21 ILE 27 1HG2 ILE 27 7.224 -0.948 -0.438 205 HG22 ILE 27 2HG2 ILE 27 7.991 -0.057 0.870 206 HG23 ILE 27 3HG2 ILE 27 7.059 -1.531 1.231 207 HD11 ILE 27 3HD1 ILE 27 3.522 -1.541 -1.174 208 HD12 ILE 27 1HD1 ILE 27 4.465 -0.087 -1.577 209 HD13 ILE 27 2HD1 ILE 27 5.281 -1.652 -1.353 210 H ARG 28 H ARG 28 6.182 3.303 1.588 211 HA ARG 28 HA ARG 28 9.065 3.381 2.006 212 HB2 ARG 28 1HB ARG 28 7.330 5.840 2.023 213 HB3 ARG 28 2HB ARG 28 8.982 5.633 1.444 214 HG2 ARG 28 1HG ARG 28 6.407 4.729 0.121 215 HG3 ARG 28 2HG ARG 28 7.494 5.998 -0.443 216 HD2 ARG 28 1HD ARG 28 9.220 4.289 -0.876 217 HD3 ARG 28 2HD ARG 28 8.098 3.019 -0.305 218 HE ARG 28 HE ARG 28 6.892 4.544 -2.410 219 HH11 ARG 28 2HH1 ARG 28 9.408 2.159 -2.038 220 HH12 ARG 28 1HH1 ARG 28 8.953 1.305 -3.496 221 HH21 ARG 28 2HH2 ARG 28 6.566 3.606 -4.388 222 HH22 ARG 28 1HH2 ARG 28 7.381 2.126 -4.806 223 H GLU 29 H GLU 29 6.271 4.392 3.939 224 HA GLU 29 HA GLU 29 7.716 5.720 6.019 225 HB2 GLU 29 1HB GLU 29 4.944 4.479 5.873 226 HB3 GLU 29 2HB GLU 29 5.553 5.261 7.335 227 HG2 GLU 29 1HG GLU 29 5.921 7.355 6.141 228 HG3 GLU 29 2HG GLU 29 5.388 6.635 4.626 229 H VAL 30 H VAL 30 6.621 2.293 5.818 230 HA VAL 30 HA VAL 30 8.089 1.813 8.388 231 HB VAL 30 HB VAL 30 6.558 0.276 9.035 232 HG11 VAL 30 1HG1 VAL 30 5.822 2.658 9.244 233 HG12 VAL 30 2HG1 VAL 30 4.878 2.466 7.751 234 HG13 VAL 30 3HG1 VAL 30 4.465 1.514 9.192 235 HG21 VAL 30 3HG2 VAL 30 5.139 0.354 6.358 236 HG22 VAL 30 1HG2 VAL 30 6.061 -1.007 7.033 237 HG23 VAL 30 2HG2 VAL 30 4.579 -0.485 7.820 238 H HIS 31 H HIS 31 7.834 0.575 5.117 239 HA HIS 31 HA HIS 31 9.608 -1.720 5.890 240 HB2 HIS 31 1HB HIS 31 8.108 -1.299 3.302 241 HB3 HIS 31 2HB HIS 31 9.055 -2.703 3.759 242 HD1 HIS 31 1HD HIS 31 7.948 -3.720 6.378 243 HD2 HIS 31 2HD HIS 31 5.614 -1.963 3.370 244 HE1 HIS 31 1HE HIS 31 5.588 -4.593 6.724 245 H GLY 32 H GLY 32 9.713 1.399 4.552 246 HA2 GLY 32 1HA GLY 32 11.464 2.697 3.904 247 HA3 GLY 32 2HA GLY 32 12.543 1.444 4.528 248 H ALA 33 H ALA 33 10.380 0.750 1.808 249 HA ALA 33 HA ALA 33 12.603 0.031 0.104 250 HB1 ALA 33 1HB ALA 33 10.415 -1.135 0.097 251 HB2 ALA 33 2HB ALA 33 9.653 0.333 -0.561 252 HB3 ALA 33 3HB ALA 33 10.867 -0.539 -1.512 253 H ALA 34 H ALA 34 13.911 1.651 -0.540 254 HA ALA 34 HA ALA 34 13.075 4.336 -0.958 255 HB1 ALA 34 1HB ALA 34 15.744 2.968 -1.452 256 HB2 ALA 34 2HB ALA 34 15.457 4.721 -1.390 257 HB3 ALA 34 3HB ALA 34 15.202 3.732 0.062 258 H GLN 35 H GLN 35 11.647 4.402 -2.541 259 HA GLN 35 HA GLN 35 12.022 3.793 -5.328 260 HB2 GLN 35 1HB GLN 35 10.145 5.289 -5.741 261 HB3 GLN 35 2HB GLN 35 9.819 4.177 -4.420 262 HG2 GLN 35 1HG GLN 35 10.283 6.012 -2.776 263 HG3 GLN 35 2HG GLN 35 10.601 7.113 -4.117 264 HE21 GLN 35 1HE2 GLN 35 8.820 8.275 -2.733 265 HE22 GLN 35 2HE2 GLN 35 7.173 7.955 -3.260 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -15.189 -10.281 -5.634 2 H2 GLY 1 2H GLY 1 -15.534 -9.006 -6.605 3 H3 GLY 1 3H GLY 1 -16.480 -10.343 -6.641 4 HA2 GLY 1 1HA GLY 1 -17.223 -9.967 -4.387 5 HA3 GLY 1 2HA GLY 1 -16.184 -8.530 -4.331 6 H SER 2 H SER 2 -19.160 -8.863 -4.068 7 HA SER 2 HA SER 2 -20.363 -7.701 -6.446 8 HB2 SER 2 1HB SER 2 -21.532 -8.072 -3.667 9 HB3 SER 2 2HB SER 2 -22.433 -7.795 -5.167 10 HG SER 2 HG SER 2 -21.696 -9.800 -5.939 11 H SER 3 H SER 3 -18.694 -6.214 -3.862 12 HA SER 3 HA SER 3 -20.232 -3.761 -3.666 13 HB2 SER 3 1HB SER 3 -18.226 -2.968 -2.398 14 HB3 SER 3 2HB SER 3 -18.958 -4.454 -1.773 15 HG SER 3 HG SER 3 -16.629 -4.520 -1.939 16 H GLY 4 H GLY 4 -19.550 -1.655 -4.297 17 HA2 GLY 4 1HA GLY 4 -18.674 -1.477 -7.037 18 HA3 GLY 4 2HA GLY 4 -19.062 -0.140 -5.954 19 H SER 5 H SER 5 -16.867 -1.313 -4.059 20 HA SER 5 HA SER 5 -14.359 -0.866 -5.496 21 HB2 SER 5 1HB SER 5 -15.203 1.456 -4.995 22 HB3 SER 5 2HB SER 5 -15.148 1.056 -3.268 23 HG SER 5 HG SER 5 -13.235 2.119 -4.045 24 H SER 6 H SER 6 -12.513 -1.388 -4.244 25 HA SER 6 HA SER 6 -12.766 -2.324 -1.483 26 HB2 SER 6 1HB SER 6 -13.345 -4.338 -2.848 27 HB3 SER 6 2HB SER 6 -11.750 -4.243 -3.613 28 HG SER 6 HG SER 6 -11.927 -5.684 -1.776 29 H GLY 7 H GLY 7 -10.804 -2.311 -0.394 30 HA2 GLY 7 1HA GLY 7 -8.873 -0.416 -1.346 31 HA3 GLY 7 2HA GLY 7 -8.795 -1.307 0.163 32 H TYR 8 H TYR 8 -6.544 -0.697 -1.094 33 HA TYR 8 HA TYR 8 -5.533 -2.993 -2.709 34 HB2 TYR 8 1HB TYR 8 -4.279 -0.309 -2.018 35 HB3 TYR 8 2HB TYR 8 -3.560 -1.541 -3.039 36 HD1 TYR 8 2HD TYR 8 -6.410 0.870 -2.799 37 HD2 TYR 8 1HD TYR 8 -4.109 -1.738 -5.357 38 HE1 TYR 8 2HE TYR 8 -7.485 1.886 -4.805 39 HE2 TYR 8 1HE TYR 8 -5.184 -0.721 -7.356 40 HH TYR 8 HH TYR 8 -6.686 0.822 -8.136 41 H VAL 9 H VAL 9 -3.785 -4.289 -1.965 42 HA VAL 9 HA VAL 9 -3.363 -4.121 0.989 43 HB VAL 9 HB VAL 9 -3.518 -6.658 -0.647 44 HG11 VAL 9 1HG1 VAL 9 -3.748 -7.702 1.622 45 HG12 VAL 9 2HG1 VAL 9 -2.190 -6.903 1.418 46 HG13 VAL 9 3HG1 VAL 9 -3.464 -6.115 2.367 47 HG21 VAL 9 3HG2 VAL 9 -5.739 -5.624 -0.612 48 HG22 VAL 9 1HG2 VAL 9 -5.711 -6.990 0.504 49 HG23 VAL 9 2HG2 VAL 9 -5.601 -5.332 1.135 50 H CYS 10 H CYS 10 -1.444 -4.306 1.872 51 HA CYS 10 HA CYS 10 0.968 -3.970 0.389 52 HB2 CYS 10 1HB CYS 10 0.423 -3.149 2.678 53 HB3 CYS 10 2HB CYS 10 0.471 -4.818 3.268 54 H ALA 11 H ALA 11 2.163 -5.383 -0.673 55 HA ALA 11 HA ALA 11 1.727 -8.243 -0.511 56 HB1 ALA 11 1HB ALA 11 3.900 -6.623 -1.909 57 HB2 ALA 11 2HB ALA 11 3.527 -8.337 -2.190 58 HB3 ALA 11 3HB ALA 11 2.332 -7.095 -2.602 59 H LEU 12 H LEU 12 3.407 -6.196 1.555 60 HA LEU 12 HA LEU 12 5.546 -8.144 2.251 61 HB2 LEU 12 1HB LEU 12 5.179 -5.242 3.088 62 HB3 LEU 12 2HB LEU 12 6.518 -6.298 3.479 63 HG LEU 12 HG LEU 12 7.020 -6.439 0.985 64 HD11 LEU 12 1HD1 LEU 12 5.071 -4.087 0.881 65 HD12 LEU 12 2HD1 LEU 12 5.037 -5.554 -0.122 66 HD13 LEU 12 3HD1 LEU 12 6.325 -4.385 -0.340 67 HD21 LEU 12 3HD2 LEU 12 8.212 -4.303 1.044 68 HD22 LEU 12 1HD2 LEU 12 8.218 -5.029 2.664 69 HD23 LEU 12 2HD2 LEU 12 7.085 -3.714 2.286 70 H CYS 13 H CYS 13 3.121 -6.105 3.848 71 HA CYS 13 HA CYS 13 3.051 -8.025 6.138 72 HB2 CYS 13 1HB CYS 13 2.558 -6.324 7.656 73 HB3 CYS 13 2HB CYS 13 4.001 -5.922 6.743 74 H LEU 14 H LEU 14 1.111 -7.448 3.580 75 HA LEU 14 HA LEU 14 -0.998 -7.981 3.040 76 HB2 LEU 14 1HB LEU 14 -0.648 -9.836 5.397 77 HB3 LEU 14 2HB LEU 14 -2.033 -9.893 4.335 78 HG LEU 14 HG LEU 14 -0.486 -11.606 3.766 79 HD11 LEU 14 1HD1 LEU 14 -1.847 -10.574 1.965 80 HD12 LEU 14 2HD1 LEU 14 -0.336 -11.288 1.380 81 HD13 LEU 14 3HD1 LEU 14 -0.472 -9.529 1.544 82 HD21 LEU 14 3HD2 LEU 14 1.699 -11.319 2.866 83 HD22 LEU 14 1HD2 LEU 14 1.654 -10.477 4.424 84 HD23 LEU 14 2HD2 LEU 14 1.576 -9.555 2.902 85 H LYS 15 H LYS 15 -0.746 -5.642 4.691 86 HA LYS 15 HA LYS 15 -3.388 -5.360 6.010 87 HB2 LYS 15 1HB LYS 15 -1.291 -4.490 7.024 88 HB3 LYS 15 2HB LYS 15 -1.076 -3.451 5.602 89 HG2 LYS 15 1HG LYS 15 -3.049 -2.153 6.163 90 HG3 LYS 15 2HG LYS 15 -3.529 -3.316 7.414 91 HD2 LYS 15 1HD LYS 15 -1.593 -2.725 8.780 92 HD3 LYS 15 2HD LYS 15 -0.983 -1.638 7.515 93 HE2 LYS 15 1HE LYS 15 -3.017 -0.242 7.707 94 HE3 LYS 15 2HE LYS 15 -3.680 -1.345 8.919 95 HZ1 LYS 15 3HZ LYS 15 -2.636 0.579 9.963 96 HZ2 LYS 15 1HZ LYS 15 -1.198 0.257 9.265 97 HZ3 LYS 15 2HZ LYS 15 -1.818 -0.767 10.379 98 H LYS 16 H LYS 16 -5.067 -4.145 5.226 99 HA LYS 16 HA LYS 16 -4.957 -3.286 2.401 100 HB2 LYS 16 1HB LYS 16 -6.714 -4.847 3.136 101 HB3 LYS 16 2HB LYS 16 -7.341 -3.631 4.254 102 HG2 LYS 16 1HG LYS 16 -7.951 -2.156 2.450 103 HG3 LYS 16 2HG LYS 16 -7.102 -3.137 1.252 104 HD2 LYS 16 1HD LYS 16 -9.458 -4.204 2.860 105 HD3 LYS 16 2HD LYS 16 -9.659 -3.296 1.358 106 HE2 LYS 16 1HE LYS 16 -8.123 -4.959 0.214 107 HE3 LYS 16 2HE LYS 16 -8.170 -5.932 1.691 108 HZ1 LYS 16 3HZ LYS 16 -9.835 -6.696 0.126 109 HZ2 LYS 16 1HZ LYS 16 -10.512 -5.220 -0.011 110 HZ3 LYS 16 2HZ LYS 16 -10.619 -6.048 1.401 111 H PHE 17 H PHE 17 -5.427 -1.333 1.621 112 HA PHE 17 HA PHE 17 -5.734 1.018 3.439 113 HB2 PHE 17 1HB PHE 17 -3.857 0.674 1.068 114 HB3 PHE 17 2HB PHE 17 -4.153 2.198 1.888 115 HD1 PHE 17 1HD PHE 17 -2.531 -1.112 2.167 116 HD2 PHE 17 2HD PHE 17 -3.323 2.636 4.152 117 HE1 PHE 17 1HE PHE 17 -0.862 -1.678 3.911 118 HE2 PHE 17 2HE PHE 17 -1.656 2.059 5.902 119 HZ PHE 17 HZ PHE 17 -0.456 -0.116 5.795 120 H VAL 18 H VAL 18 -6.713 2.841 2.554 121 HA VAL 18 HA VAL 18 -8.961 2.373 0.890 122 HB VAL 18 HB VAL 18 -8.851 3.978 2.729 123 HG11 VAL 18 1HG1 VAL 18 -7.838 6.184 2.505 124 HG12 VAL 18 2HG1 VAL 18 -6.589 4.950 2.341 125 HG13 VAL 18 3HG1 VAL 18 -7.217 5.782 0.898 126 HG21 VAL 18 3HG2 VAL 18 -10.601 4.248 0.978 127 HG22 VAL 18 1HG2 VAL 18 -10.162 5.758 1.801 128 HG23 VAL 18 2HG2 VAL 18 -9.560 5.446 0.168 129 H SER 19 H SER 19 -5.751 3.323 -0.058 130 HA SER 19 HA SER 19 -6.539 3.498 -2.898 131 HB2 SER 19 1HB SER 19 -6.810 5.791 -2.251 132 HB3 SER 19 2HB SER 19 -5.293 5.786 -1.344 133 HG SER 19 HG SER 19 -5.288 6.754 -3.534 134 H SER 20 H SER 20 -4.778 3.274 -4.349 135 HA SER 20 HA SER 20 -2.588 1.606 -3.540 136 HB2 SER 20 1HB SER 20 -1.761 2.030 -5.840 137 HB3 SER 20 2HB SER 20 -3.458 1.526 -5.793 138 HG SER 20 HG SER 20 -3.152 3.310 -7.197 139 H ILE 21 H ILE 21 -2.940 5.129 -3.902 140 HA ILE 21 HA ILE 21 -0.129 5.768 -3.640 141 HB ILE 21 HB ILE 21 -2.573 7.465 -3.004 142 HG12 ILE 21 1HG1 ILE 21 -2.776 6.768 -5.299 143 HG13 ILE 21 2HG1 ILE 21 -2.290 8.448 -5.249 144 HG21 ILE 21 1HG2 ILE 21 0.339 8.218 -3.480 145 HG22 ILE 21 2HG2 ILE 21 -1.008 9.381 -3.468 146 HG23 ILE 21 3HG2 ILE 21 -0.623 8.468 -2.008 147 HD11 ILE 21 3HD1 ILE 21 0.067 7.772 -5.791 148 HD12 ILE 21 1HD1 ILE 21 -0.478 6.078 -5.895 149 HD13 ILE 21 2HD1 ILE 21 -1.105 7.284 -7.027 150 H ARG 22 H ARG 22 -2.763 5.415 -1.284 151 HA ARG 22 HA ARG 22 -1.234 6.181 1.068 152 HB2 ARG 22 1HB ARG 22 -3.723 4.446 0.761 153 HB3 ARG 22 2HB ARG 22 -3.096 5.020 2.296 154 HG2 ARG 22 1HG ARG 22 -3.928 6.910 0.045 155 HG3 ARG 22 2HG ARG 22 -5.049 6.321 1.250 156 HD2 ARG 22 1HD ARG 22 -2.552 7.899 1.876 157 HD3 ARG 22 2HD ARG 22 -4.178 8.579 1.702 158 HE ARG 22 HE ARG 22 -4.375 6.528 3.624 159 HH11 ARG 22 2HH1 ARG 22 -2.791 9.645 3.415 160 HH12 ARG 22 1HH1 ARG 22 -2.844 9.891 5.139 161 HH21 ARG 22 2HH2 ARG 22 -4.405 6.902 5.818 162 HH22 ARG 22 1HH2 ARG 22 -3.739 8.376 6.455 163 H LEU 23 H LEU 23 -1.837 3.061 -0.548 164 HA LEU 23 HA LEU 23 -0.349 1.451 1.295 165 HB2 LEU 23 1HB LEU 23 -1.922 0.403 -0.160 166 HB3 LEU 23 2HB LEU 23 -1.231 1.159 -1.594 167 HG LEU 23 HG LEU 23 0.795 -0.180 -1.397 168 HD11 LEU 23 1HD1 LEU 23 -0.552 -1.700 0.871 169 HD12 LEU 23 2HD1 LEU 23 0.726 -0.506 1.141 170 HD13 LEU 23 3HD1 LEU 23 1.082 -1.929 0.193 171 HD21 LEU 23 3HD2 LEU 23 -1.082 -1.043 -2.713 172 HD22 LEU 23 1HD2 LEU 23 -1.738 -1.850 -1.269 173 HD23 LEU 23 2HD2 LEU 23 -0.180 -2.365 -1.951 174 H ARG 24 H ARG 24 0.620 3.022 -1.831 175 HA ARG 24 HA ARG 24 3.321 2.134 -1.819 176 HB2 ARG 24 1HB ARG 24 1.958 4.605 -2.934 177 HB3 ARG 24 2HB ARG 24 3.686 4.324 -3.168 178 HG2 ARG 24 1HG ARG 24 3.339 2.322 -4.419 179 HG3 ARG 24 2HG ARG 24 1.635 2.221 -3.964 180 HD2 ARG 24 1HD ARG 24 1.193 4.349 -5.178 181 HD3 ARG 24 2HD ARG 24 2.894 4.388 -5.694 182 HE ARG 24 HE ARG 24 1.783 1.872 -6.433 183 HH11 ARG 24 2HH1 ARG 24 1.473 5.220 -7.418 184 HH12 ARG 24 1HH1 ARG 24 0.942 4.795 -9.022 185 HH21 ARG 24 2HH2 ARG 24 1.121 1.400 -8.503 186 HH22 ARG 24 1HH2 ARG 24 0.758 2.687 -9.615 187 H SER 25 H SER 25 1.991 5.168 -0.501 188 HA SER 25 HA SER 25 4.367 6.167 0.669 189 HB2 SER 25 1HB SER 25 2.234 7.416 0.370 190 HB3 SER 25 2HB SER 25 1.505 6.464 1.677 191 HG SER 25 HG SER 25 2.364 8.510 2.375 192 H HIS 26 H HIS 26 1.958 3.891 2.080 193 HA HIS 26 HA HIS 26 3.131 3.628 4.670 194 HB2 HIS 26 1HB HIS 26 1.036 2.659 4.505 195 HB3 HIS 26 2HB HIS 26 1.346 1.911 2.960 196 HD1 HIS 26 1HD HIS 26 1.878 1.239 6.675 197 HD2 HIS 26 2HD HIS 26 2.569 -0.508 2.912 198 HE1 HIS 26 1HE HIS 26 2.407 -1.196 7.132 199 H ILE 27 H ILE 27 3.862 1.813 1.639 200 HA ILE 27 HA ILE 27 5.755 0.074 2.872 201 HB ILE 27 HB ILE 27 5.642 0.971 -0.033 202 HG12 ILE 27 1HG1 ILE 27 4.561 -1.612 1.196 203 HG13 ILE 27 2HG1 ILE 27 3.561 -0.208 0.883 204 HG21 ILE 27 1HG2 ILE 27 6.975 -1.040 -0.511 205 HG22 ILE 27 2HG2 ILE 27 7.845 -0.022 0.624 206 HG23 ILE 27 3HG2 ILE 27 6.981 -1.469 1.209 207 HD11 ILE 27 3HD1 ILE 27 4.147 -0.318 -1.542 208 HD12 ILE 27 1HD1 ILE 27 5.007 -1.847 -1.222 209 HD13 ILE 27 2HD1 ILE 27 3.267 -1.736 -0.934 210 H ARG 28 H ARG 28 6.216 3.312 1.416 211 HA ARG 28 HA ARG 28 9.107 3.242 1.808 212 HB2 ARG 28 1HB ARG 28 7.501 5.786 1.776 213 HB3 ARG 28 2HB ARG 28 9.166 5.511 1.274 214 HG2 ARG 28 1HG ARG 28 6.615 4.786 -0.167 215 HG3 ARG 28 2HG ARG 28 7.824 5.937 -0.673 216 HD2 ARG 28 1HD ARG 28 8.120 2.902 -0.588 217 HD3 ARG 28 2HD ARG 28 7.821 3.864 -2.023 218 HE ARG 28 HE ARG 28 10.374 3.350 -0.798 219 HH11 ARG 28 2HH1 ARG 28 8.789 5.882 -2.659 220 HH12 ARG 28 1HH1 ARG 28 10.314 6.471 -3.262 221 HH21 ARG 28 2HH2 ARG 28 12.169 4.088 -1.606 222 HH22 ARG 28 1HH2 ARG 28 12.214 5.493 -2.658 223 H GLU 29 H GLU 29 6.417 4.448 3.791 224 HA GLU 29 HA GLU 29 8.060 5.719 5.769 225 HB2 GLU 29 1HB GLU 29 5.168 4.797 5.728 226 HB3 GLU 29 2HB GLU 29 5.875 5.571 7.141 227 HG2 GLU 29 1HG GLU 29 5.872 6.866 4.383 228 HG3 GLU 29 2HG GLU 29 4.599 7.093 5.577 229 H VAL 30 H VAL 30 6.640 2.404 5.731 230 HA VAL 30 HA VAL 30 8.083 1.918 8.313 231 HB VAL 30 HB VAL 30 6.543 0.423 8.971 232 HG11 VAL 30 1HG1 VAL 30 4.440 1.647 9.068 233 HG12 VAL 30 2HG1 VAL 30 5.791 2.798 9.115 234 HG13 VAL 30 3HG1 VAL 30 4.867 2.567 7.611 235 HG21 VAL 30 3HG2 VAL 30 5.154 0.401 6.280 236 HG22 VAL 30 1HG2 VAL 30 6.071 -0.929 7.022 237 HG23 VAL 30 2HG2 VAL 30 4.579 -0.383 7.768 238 H HIS 31 H HIS 31 7.819 0.599 5.054 239 HA HIS 31 HA HIS 31 9.528 -1.716 5.907 240 HB2 HIS 31 1HB HIS 31 8.082 -1.312 3.285 241 HB3 HIS 31 2HB HIS 31 8.984 -2.729 3.788 242 HD1 HIS 31 1HD HIS 31 7.821 -3.641 6.425 243 HD2 HIS 31 2HD HIS 31 5.570 -1.910 3.340 244 HE1 HIS 31 1HE HIS 31 5.436 -4.426 6.777 245 H GLY 32 H GLY 32 9.727 1.350 4.462 246 HA2 GLY 32 1HA GLY 32 11.453 2.565 3.608 247 HA3 GLY 32 2HA GLY 32 12.525 1.443 4.460 248 H ALA 33 H ALA 33 10.425 0.574 1.700 249 HA ALA 33 HA ALA 33 12.418 -0.755 0.275 250 HB1 ALA 33 1HB ALA 33 10.008 -1.171 0.027 251 HB2 ALA 33 2HB ALA 33 9.796 0.432 -0.727 252 HB3 ALA 33 3HB ALA 33 10.757 -0.819 -1.540 253 H ALA 34 H ALA 34 13.894 -0.190 -1.015 254 HA ALA 34 HA ALA 34 13.884 2.132 -2.778 255 HB1 ALA 34 1HB ALA 34 16.053 3.012 -1.949 256 HB2 ALA 34 2HB ALA 34 14.790 3.135 -0.709 257 HB3 ALA 34 3HB ALA 34 16.013 1.851 -0.603 258 H GLN 35 H GLN 35 14.700 1.504 -4.627 259 HA GLN 35 HA GLN 35 16.075 -1.038 -5.018 260 HB2 GLN 35 1HB GLN 35 14.328 -0.310 -6.559 261 HB3 GLN 35 2HB GLN 35 15.218 1.167 -6.929 262 HG2 GLN 35 1HG GLN 35 15.434 -0.412 -8.745 263 HG3 GLN 35 2HG GLN 35 17.004 -0.136 -8.009 264 HE21 GLN 35 1HE2 GLN 35 17.792 -1.878 -6.453 265 HE22 GLN 35 2HE2 GLN 35 17.309 -3.547 -6.817 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -22.189 -10.811 -10.413 2 H2 GLY 1 2H GLY 1 -23.261 -9.575 -10.500 3 H3 GLY 1 3H GLY 1 -22.515 -9.913 -9.081 4 HA2 GLY 1 1HA GLY 1 -20.374 -9.294 -9.978 5 HA3 GLY 1 2HA GLY 1 -21.172 -8.942 -11.523 6 H SER 2 H SER 2 -19.628 -7.195 -9.664 7 HA SER 2 HA SER 2 -21.621 -5.005 -9.253 8 HB2 SER 2 1HB SER 2 -19.476 -5.854 -7.270 9 HB3 SER 2 2HB SER 2 -20.531 -4.437 -7.123 10 HG SER 2 HG SER 2 -21.316 -6.240 -5.929 11 H SER 3 H SER 3 -20.770 -2.884 -9.268 12 HA SER 3 HA SER 3 -18.458 -2.473 -11.015 13 HB2 SER 3 1HB SER 3 -19.160 -0.099 -10.906 14 HB3 SER 3 2HB SER 3 -20.449 -1.194 -11.424 15 HG SER 3 HG SER 3 -21.174 0.325 -9.853 16 H GLY 4 H GLY 4 -16.841 -0.787 -10.531 17 HA2 GLY 4 1HA GLY 4 -15.197 0.219 -9.245 18 HA3 GLY 4 2HA GLY 4 -16.187 -0.039 -7.813 19 H SER 5 H SER 5 -14.213 -0.488 -6.699 20 HA SER 5 HA SER 5 -13.360 -3.323 -6.823 21 HB2 SER 5 1HB SER 5 -11.000 -2.747 -6.690 22 HB3 SER 5 2HB SER 5 -11.711 -2.089 -8.170 23 HG SER 5 HG SER 5 -10.401 -0.537 -7.134 24 H SER 6 H SER 6 -12.122 -3.995 -4.892 25 HA SER 6 HA SER 6 -13.494 -3.041 -2.498 26 HB2 SER 6 1HB SER 6 -12.474 -5.048 -1.469 27 HB3 SER 6 2HB SER 6 -13.391 -5.400 -2.942 28 HG SER 6 HG SER 6 -11.356 -6.472 -2.919 29 H GLY 7 H GLY 7 -10.480 -2.221 -3.858 30 HA2 GLY 7 1HA GLY 7 -9.206 -0.419 -2.692 31 HA3 GLY 7 2HA GLY 7 -9.353 -1.351 -1.211 32 H TYR 8 H TYR 8 -7.045 -1.185 -1.088 33 HA TYR 8 HA TYR 8 -5.493 -3.041 -2.862 34 HB2 TYR 8 1HB TYR 8 -4.624 -0.337 -1.768 35 HB3 TYR 8 2HB TYR 8 -3.658 -1.419 -2.762 36 HD1 TYR 8 2HD TYR 8 -6.629 0.823 -2.738 37 HD2 TYR 8 1HD TYR 8 -3.946 -1.521 -5.173 38 HE1 TYR 8 2HE TYR 8 -7.580 1.864 -4.787 39 HE2 TYR 8 1HE TYR 8 -4.883 -0.461 -7.220 40 HH TYR 8 HH TYR 8 -6.399 1.033 -8.072 41 H VAL 9 H VAL 9 -3.703 -4.144 -1.889 42 HA VAL 9 HA VAL 9 -3.492 -3.961 1.069 43 HB VAL 9 HB VAL 9 -3.673 -6.588 -0.444 44 HG11 VAL 9 1HG1 VAL 9 -3.875 -7.531 1.859 45 HG12 VAL 9 2HG1 VAL 9 -2.335 -6.705 1.622 46 HG13 VAL 9 3HG1 VAL 9 -3.624 -5.909 2.536 47 HG21 VAL 9 3HG2 VAL 9 -5.841 -6.919 0.719 48 HG22 VAL 9 1HG2 VAL 9 -5.755 -5.255 1.335 49 HG23 VAL 9 2HG2 VAL 9 -5.919 -5.566 -0.409 50 H CYS 10 H CYS 10 -1.525 -4.261 1.925 51 HA CYS 10 HA CYS 10 0.840 -3.890 0.410 52 HB2 CYS 10 1HB CYS 10 0.388 -3.257 2.775 53 HB3 CYS 10 2HB CYS 10 0.435 -4.965 3.222 54 H ALA 11 H ALA 11 2.343 -5.185 -0.421 55 HA ALA 11 HA ALA 11 1.786 -8.065 -0.688 56 HB1 ALA 11 1HB ALA 11 2.437 -6.722 -2.648 57 HB2 ALA 11 2HB ALA 11 3.990 -6.325 -1.875 58 HB3 ALA 11 3HB ALA 11 3.617 -8.003 -2.318 59 H LEU 12 H LEU 12 3.370 -6.195 1.608 60 HA LEU 12 HA LEU 12 5.502 -8.212 2.169 61 HB2 LEU 12 1HB LEU 12 5.298 -5.334 3.117 62 HB3 LEU 12 2HB LEU 12 6.614 -6.460 3.359 63 HG LEU 12 HG LEU 12 6.853 -6.459 0.751 64 HD11 LEU 12 1HD1 LEU 12 5.270 -3.873 1.153 65 HD12 LEU 12 2HD1 LEU 12 4.825 -5.207 0.080 66 HD13 LEU 12 3HD1 LEU 12 6.254 -4.247 -0.274 67 HD21 LEU 12 3HD2 LEU 12 8.258 -4.437 0.925 68 HD22 LEU 12 1HD2 LEU 12 8.410 -5.450 2.376 69 HD23 LEU 12 2HD2 LEU 12 7.391 -4.001 2.416 70 H CYS 13 H CYS 13 3.249 -6.083 3.912 71 HA CYS 13 HA CYS 13 3.164 -8.031 6.173 72 HB2 CYS 13 1HB CYS 13 2.650 -6.311 7.678 73 HB3 CYS 13 2HB CYS 13 4.097 -5.906 6.774 74 H LEU 14 H LEU 14 1.228 -7.244 3.617 75 HA LEU 14 HA LEU 14 -0.910 -7.584 3.042 76 HB2 LEU 14 1HB LEU 14 -0.539 -9.735 5.106 77 HB3 LEU 14 2HB LEU 14 -2.047 -9.556 4.225 78 HG LEU 14 HG LEU 14 -0.920 -9.811 2.072 79 HD11 LEU 14 1HD1 LEU 14 1.362 -9.073 2.440 80 HD12 LEU 14 2HD1 LEU 14 1.401 -10.772 2.002 81 HD13 LEU 14 3HD1 LEU 14 1.607 -10.305 3.705 82 HD21 LEU 14 3HD2 LEU 14 -0.291 -12.031 4.060 83 HD22 LEU 14 1HD2 LEU 14 -0.459 -12.210 2.297 84 HD23 LEU 14 2HD2 LEU 14 -1.860 -11.750 3.274 85 H LYS 15 H LYS 15 -0.499 -5.466 4.991 86 HA LYS 15 HA LYS 15 -3.067 -5.043 6.323 87 HB2 LYS 15 1HB LYS 15 -0.880 -4.052 7.027 88 HB3 LYS 15 2HB LYS 15 -0.862 -3.149 5.493 89 HG2 LYS 15 1HG LYS 15 -2.791 -1.839 6.164 90 HG3 LYS 15 2HG LYS 15 -3.106 -2.902 7.548 91 HD2 LYS 15 1HD LYS 15 -1.040 -2.154 8.639 92 HD3 LYS 15 2HD LYS 15 -0.643 -1.129 7.243 93 HE2 LYS 15 1HE LYS 15 -2.707 0.182 7.588 94 HE3 LYS 15 2HE LYS 15 -3.183 -0.880 8.918 95 HZ1 LYS 15 3HZ LYS 15 -0.777 0.865 8.925 96 HZ2 LYS 15 1HZ LYS 15 -1.218 -0.131 10.146 97 HZ3 LYS 15 2HZ LYS 15 -2.154 1.145 9.753 98 H LYS 16 H LYS 16 -4.800 -3.837 5.617 99 HA LYS 16 HA LYS 16 -5.015 -3.366 2.702 100 HB2 LYS 16 1HB LYS 16 -6.571 -4.884 3.848 101 HB3 LYS 16 2HB LYS 16 -7.172 -3.545 4.835 102 HG2 LYS 16 1HG LYS 16 -8.094 -2.429 2.900 103 HG3 LYS 16 2HG LYS 16 -7.261 -3.531 1.787 104 HD2 LYS 16 1HD LYS 16 -8.569 -5.433 2.710 105 HD3 LYS 16 2HD LYS 16 -9.483 -4.307 3.728 106 HE2 LYS 16 1HE LYS 16 -9.291 -4.153 0.685 107 HE3 LYS 16 2HE LYS 16 -10.580 -5.008 1.532 108 HZ1 LYS 16 3HZ LYS 16 -11.198 -2.733 0.900 109 HZ2 LYS 16 1HZ LYS 16 -10.041 -2.104 1.861 110 HZ3 LYS 16 2HZ LYS 16 -11.289 -2.935 2.526 111 H PHE 17 H PHE 17 -5.841 -1.588 1.755 112 HA PHE 17 HA PHE 17 -5.888 1.010 3.212 113 HB2 PHE 17 1HB PHE 17 -4.187 0.274 0.792 114 HB3 PHE 17 2HB PHE 17 -4.429 1.917 1.365 115 HD1 PHE 17 2HD PHE 17 -3.569 2.654 3.583 116 HD2 PHE 17 1HD PHE 17 -2.672 -1.244 1.967 117 HE1 PHE 17 2HE PHE 17 -1.769 2.368 5.270 118 HE2 PHE 17 1HE PHE 17 -0.877 -1.526 3.654 119 HZ PHE 17 HZ PHE 17 -0.455 0.262 5.327 120 H VAL 18 H VAL 18 -6.865 2.716 2.161 121 HA VAL 18 HA VAL 18 -9.143 2.128 0.487 122 HB VAL 18 HB VAL 18 -9.177 3.771 2.279 123 HG11 VAL 18 1HG1 VAL 18 -7.312 5.507 0.590 124 HG12 VAL 18 2HG1 VAL 18 -8.151 6.000 2.066 125 HG13 VAL 18 3HG1 VAL 18 -6.923 4.743 2.149 126 HG21 VAL 18 3HG2 VAL 18 -10.418 5.525 1.210 127 HG22 VAL 18 1HG2 VAL 18 -9.681 5.179 -0.364 128 HG23 VAL 18 2HG2 VAL 18 -10.773 3.994 0.392 129 H SER 19 H SER 19 -5.899 3.226 -0.241 130 HA SER 19 HA SER 19 -6.486 3.369 -3.142 131 HB2 SER 19 1HB SER 19 -6.907 5.630 -2.454 132 HB3 SER 19 2HB SER 19 -5.433 5.676 -1.479 133 HG SER 19 HG SER 19 -5.374 6.672 -3.660 134 H SER 20 H SER 20 -4.647 3.182 -4.464 135 HA SER 20 HA SER 20 -2.413 1.658 -3.508 136 HB2 SER 20 1HB SER 20 -1.478 2.095 -5.753 137 HB3 SER 20 2HB SER 20 -3.151 1.522 -5.814 138 HG SER 20 HG SER 20 -2.834 3.306 -7.210 139 H ILE 21 H ILE 21 -2.964 5.151 -3.827 140 HA ILE 21 HA ILE 21 -0.213 5.968 -3.500 141 HB ILE 21 HB ILE 21 -2.790 7.442 -2.833 142 HG12 ILE 21 1HG1 ILE 21 -2.827 6.860 -5.178 143 HG13 ILE 21 2HG1 ILE 21 -2.526 8.575 -4.996 144 HG21 ILE 21 1HG2 ILE 21 -1.363 9.500 -3.120 145 HG22 ILE 21 2HG2 ILE 21 -0.985 8.533 -1.692 146 HG23 ILE 21 3HG2 ILE 21 0.069 8.438 -3.117 147 HD11 ILE 21 3HD1 ILE 21 -1.155 7.668 -6.789 148 HD12 ILE 21 1HD1 ILE 21 -0.093 8.187 -5.471 149 HD13 ILE 21 2HD1 ILE 21 -0.447 6.458 -5.712 150 H ARG 22 H ARG 22 -2.842 5.426 -1.150 151 HA ARG 22 HA ARG 22 -1.350 6.158 1.225 152 HB2 ARG 22 1HB ARG 22 -3.686 4.223 0.878 153 HB3 ARG 22 2HB ARG 22 -3.103 4.829 2.416 154 HG2 ARG 22 1HG ARG 22 -4.284 6.556 0.192 155 HG3 ARG 22 2HG ARG 22 -5.156 5.958 1.598 156 HD2 ARG 22 1HD ARG 22 -2.859 7.897 1.603 157 HD3 ARG 22 2HD ARG 22 -4.537 8.300 1.878 158 HE ARG 22 HE ARG 22 -2.652 7.102 3.783 159 HH11 ARG 22 2HH1 ARG 22 -6.062 7.690 3.214 160 HH12 ARG 22 1HH1 ARG 22 -6.468 7.468 4.894 161 HH21 ARG 22 2HH2 ARG 22 -3.244 6.839 5.900 162 HH22 ARG 22 1HH2 ARG 22 -4.910 7.005 6.366 163 H LEU 23 H LEU 23 -1.761 3.086 -0.521 164 HA LEU 23 HA LEU 23 -0.228 1.496 1.302 165 HB2 LEU 23 1HB LEU 23 -1.825 0.460 -0.138 166 HB3 LEU 23 2HB LEU 23 -1.127 1.198 -1.580 167 HG LEU 23 HG LEU 23 0.876 -0.151 -1.392 168 HD11 LEU 23 1HD1 LEU 23 0.849 -0.440 1.156 169 HD12 LEU 23 2HD1 LEU 23 1.206 -1.871 0.218 170 HD13 LEU 23 3HD1 LEU 23 -0.420 -1.651 0.919 171 HD21 LEU 23 3HD2 LEU 23 -0.128 -2.349 -1.883 172 HD22 LEU 23 1HD2 LEU 23 -1.028 -1.033 -2.656 173 HD23 LEU 23 2HD2 LEU 23 -1.671 -1.803 -1.187 174 H ARG 24 H ARG 24 0.696 3.190 -1.775 175 HA ARG 24 HA ARG 24 3.397 2.330 -1.889 176 HB2 ARG 24 1HB ARG 24 1.997 4.891 -2.735 177 HB3 ARG 24 2HB ARG 24 3.729 4.682 -2.983 178 HG2 ARG 24 1HG ARG 24 3.453 2.795 -4.422 179 HG3 ARG 24 2HG ARG 24 1.737 2.639 -4.043 180 HD2 ARG 24 1HD ARG 24 1.290 4.843 -5.076 181 HD3 ARG 24 2HD ARG 24 2.997 5.028 -5.470 182 HE ARG 24 HE ARG 24 1.003 3.315 -6.799 183 HH11 ARG 24 2HH1 ARG 24 4.446 3.939 -6.545 184 HH12 ARG 24 1HH1 ARG 24 4.786 3.150 -8.060 185 HH21 ARG 24 2HH2 ARG 24 1.515 2.329 -8.715 186 HH22 ARG 24 1HH2 ARG 24 3.169 2.265 -9.248 187 H SER 25 H SER 25 2.138 5.295 -0.354 188 HA SER 25 HA SER 25 4.587 6.102 0.841 189 HB2 SER 25 1HB SER 25 1.667 6.645 1.422 190 HB3 SER 25 2HB SER 25 2.978 7.421 2.358 191 HG SER 25 HG SER 25 2.307 8.684 0.543 192 H HIS 26 H HIS 26 2.036 3.908 2.166 193 HA HIS 26 HA HIS 26 3.204 3.526 4.745 194 HB2 HIS 26 1HB HIS 26 1.080 2.609 4.505 195 HB3 HIS 26 2HB HIS 26 1.421 1.888 2.948 196 HD1 HIS 26 1HD HIS 26 1.902 1.146 6.662 197 HD2 HIS 26 2HD HIS 26 2.615 -0.533 2.872 198 HE1 HIS 26 1HE HIS 26 2.431 -1.303 7.076 199 H ILE 27 H ILE 27 3.924 1.832 1.619 200 HA ILE 27 HA ILE 27 5.824 0.054 2.817 201 HB ILE 27 HB ILE 27 5.722 1.002 -0.070 202 HG12 ILE 27 1HG1 ILE 27 4.609 -1.597 1.084 203 HG13 ILE 27 2HG1 ILE 27 3.619 -0.179 0.839 204 HG21 ILE 27 1HG2 ILE 27 7.012 -1.485 1.139 205 HG22 ILE 27 2HG2 ILE 27 7.031 -1.017 -0.569 206 HG23 ILE 27 3HG2 ILE 27 7.909 -0.038 0.597 207 HD11 ILE 27 3HD1 ILE 27 3.314 -1.644 -1.036 208 HD12 ILE 27 1HD1 ILE 27 4.163 -0.185 -1.587 209 HD13 ILE 27 2HD1 ILE 27 5.051 -1.714 -1.349 210 H ARG 28 H ARG 28 6.269 3.329 1.413 211 HA ARG 28 HA ARG 28 9.156 3.266 1.759 212 HB2 ARG 28 1HB ARG 28 7.480 5.782 1.744 213 HB3 ARG 28 2HB ARG 28 9.174 5.588 1.305 214 HG2 ARG 28 1HG ARG 28 6.718 4.782 -0.246 215 HG3 ARG 28 2HG ARG 28 7.956 5.925 -0.717 216 HD2 ARG 28 1HD ARG 28 8.279 2.898 -0.518 217 HD3 ARG 28 2HD ARG 28 7.992 3.798 -1.994 218 HE ARG 28 HE ARG 28 10.521 3.573 -0.506 219 HH11 ARG 28 2HH1 ARG 28 8.933 5.437 -3.061 220 HH12 ARG 28 1HH1 ARG 28 10.481 5.841 -3.765 221 HH21 ARG 28 2HH2 ARG 28 12.324 4.115 -1.482 222 HH22 ARG 28 1HH2 ARG 28 12.313 5.031 -2.991 223 H GLU 29 H GLU 29 6.553 4.457 3.879 224 HA GLU 29 HA GLU 29 8.405 5.506 5.864 225 HB2 GLU 29 1HB GLU 29 5.413 4.968 5.879 226 HB3 GLU 29 2HB GLU 29 6.267 5.692 7.237 227 HG2 GLU 29 1HG GLU 29 6.235 6.890 4.433 228 HG3 GLU 29 2HG GLU 29 5.121 7.327 5.721 229 H VAL 30 H VAL 30 6.644 2.428 5.576 230 HA VAL 30 HA VAL 30 7.550 1.637 8.298 231 HB VAL 30 HB VAL 30 5.390 0.395 6.558 232 HG11 VAL 30 1HG1 VAL 30 4.587 -0.572 8.703 233 HG12 VAL 30 2HG1 VAL 30 6.179 -1.179 8.254 234 HG13 VAL 30 3HG1 VAL 30 6.032 0.066 9.518 235 HG21 VAL 30 3HG2 VAL 30 3.809 1.561 8.123 236 HG22 VAL 30 1HG2 VAL 30 5.190 2.429 8.827 237 HG23 VAL 30 2HG2 VAL 30 4.731 2.690 7.131 238 H HIS 31 H HIS 31 7.862 0.580 4.930 239 HA HIS 31 HA HIS 31 9.508 -1.747 5.875 240 HB2 HIS 31 1HB HIS 31 8.150 -1.357 3.200 241 HB3 HIS 31 2HB HIS 31 9.038 -2.773 3.741 242 HD1 HIS 31 1HD HIS 31 7.785 -3.515 6.441 243 HD2 HIS 31 2HD HIS 31 5.656 -2.050 3.137 244 HE1 HIS 31 1HE HIS 31 5.400 -4.319 6.742 245 H GLY 32 H GLY 32 9.759 1.301 4.285 246 HA2 GLY 32 1HA GLY 32 11.567 2.477 3.576 247 HA3 GLY 32 2HA GLY 32 12.574 1.330 4.468 248 H ALA 33 H ALA 33 10.546 0.644 1.594 249 HA ALA 33 HA ALA 33 12.462 -0.762 0.144 250 HB1 ALA 33 1HB ALA 33 10.909 -0.434 -1.761 251 HB2 ALA 33 2HB ALA 33 10.059 -0.900 -0.278 252 HB3 ALA 33 3HB ALA 33 10.027 0.794 -0.830 253 H ALA 34 H ALA 34 14.110 -0.235 -0.940 254 HA ALA 34 HA ALA 34 14.923 2.561 -1.435 255 HB1 ALA 34 1HB ALA 34 17.138 1.607 -1.803 256 HB2 ALA 34 2HB ALA 34 16.452 1.089 -0.250 257 HB3 ALA 34 3HB ALA 34 16.482 -0.038 -1.629 258 H GLN 35 H GLN 35 13.664 3.149 -3.091 259 HA GLN 35 HA GLN 35 14.499 2.435 -5.813 260 HB2 GLN 35 1HB GLN 35 12.216 2.058 -6.625 261 HB3 GLN 35 2HB GLN 35 12.731 0.829 -5.473 262 HG2 GLN 35 1HG GLN 35 11.402 1.961 -3.681 263 HG3 GLN 35 2HG GLN 35 10.862 3.160 -4.859 264 HE21 GLN 35 1HE2 GLN 35 8.870 1.858 -3.566 265 HE22 GLN 35 2HE2 GLN 35 8.144 0.654 -4.622 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -15.839 3.169 -11.757 2 H2 GLY 1 2H GLY 1 -16.901 2.866 -12.968 3 H3 GLY 1 3H GLY 1 -15.760 1.756 -12.580 4 HA2 GLY 1 1HA GLY 1 -17.996 2.596 -10.849 5 HA3 GLY 1 2HA GLY 1 -17.901 1.063 -11.734 6 H SER 2 H SER 2 -18.268 0.253 -9.484 7 HA SER 2 HA SER 2 -16.015 0.322 -7.602 8 HB2 SER 2 1HB SER 2 -18.445 0.288 -6.939 9 HB3 SER 2 2HB SER 2 -18.511 -1.399 -7.490 10 HG SER 2 HG SER 2 -18.051 -1.177 -5.226 11 H SER 3 H SER 3 -15.084 -1.674 -6.730 12 HA SER 3 HA SER 3 -14.693 -3.891 -8.693 13 HB2 SER 3 1HB SER 3 -12.467 -2.381 -7.272 14 HB3 SER 3 2HB SER 3 -12.266 -3.875 -8.208 15 HG SER 3 HG SER 3 -11.801 -1.990 -9.446 16 H GLY 4 H GLY 4 -14.380 -5.895 -7.816 17 HA2 GLY 4 1HA GLY 4 -15.603 -6.438 -5.357 18 HA3 GLY 4 2HA GLY 4 -14.668 -7.590 -6.310 19 H SER 5 H SER 5 -12.172 -5.835 -5.880 20 HA SER 5 HA SER 5 -11.195 -7.022 -3.437 21 HB2 SER 5 1HB SER 5 -9.998 -4.764 -5.083 22 HB3 SER 5 2HB SER 5 -9.156 -5.774 -3.894 23 HG SER 5 HG SER 5 -8.816 -6.509 -6.048 24 H SER 6 H SER 6 -12.922 -4.082 -4.016 25 HA SER 6 HA SER 6 -13.311 -2.180 -2.888 26 HB2 SER 6 1HB SER 6 -14.328 -2.507 -0.717 27 HB3 SER 6 2HB SER 6 -14.791 -3.757 -1.876 28 HG SER 6 HG SER 6 -14.328 -4.695 0.109 29 H GLY 7 H GLY 7 -10.461 -2.556 -3.081 30 HA2 GLY 7 1HA GLY 7 -9.315 -0.388 -1.932 31 HA3 GLY 7 2HA GLY 7 -9.260 -1.544 -0.601 32 H TYR 8 H TYR 8 -6.952 -1.083 -0.895 33 HA TYR 8 HA TYR 8 -5.598 -2.918 -2.846 34 HB2 TYR 8 1HB TYR 8 -4.595 -0.236 -1.807 35 HB3 TYR 8 2HB TYR 8 -3.771 -1.300 -2.938 36 HD1 TYR 8 2HD TYR 8 -6.713 0.950 -2.514 37 HD2 TYR 8 1HD TYR 8 -4.285 -1.287 -5.294 38 HE1 TYR 8 2HE TYR 8 -7.846 2.086 -4.407 39 HE2 TYR 8 1HE TYR 8 -5.406 -0.125 -7.195 40 HH TYR 8 HH TYR 8 -7.985 2.315 -6.689 41 H VAL 9 H VAL 9 -3.613 -3.961 -2.002 42 HA VAL 9 HA VAL 9 -3.454 -3.958 0.973 43 HB VAL 9 HB VAL 9 -3.454 -6.472 -0.720 44 HG11 VAL 9 1HG1 VAL 9 -3.754 -6.022 2.286 45 HG12 VAL 9 2HG1 VAL 9 -3.759 -7.592 1.459 46 HG13 VAL 9 3HG1 VAL 9 -2.288 -6.618 1.498 47 HG21 VAL 9 3HG2 VAL 9 -5.706 -5.309 0.968 48 HG22 VAL 9 1HG2 VAL 9 -5.735 -5.538 -0.798 49 HG23 VAL 9 2HG2 VAL 9 -5.690 -6.941 0.268 50 H CYS 10 H CYS 10 -1.534 -4.261 1.904 51 HA CYS 10 HA CYS 10 0.938 -3.821 0.541 52 HB2 CYS 10 1HB CYS 10 0.399 -3.298 2.906 53 HB3 CYS 10 2HB CYS 10 0.419 -5.034 3.266 54 H ALA 11 H ALA 11 2.440 -5.127 -0.277 55 HA ALA 11 HA ALA 11 1.820 -7.995 -0.628 56 HB1 ALA 11 1HB ALA 11 4.016 -6.250 -1.815 57 HB2 ALA 11 2HB ALA 11 3.673 -7.940 -2.242 58 HB3 ALA 11 3HB ALA 11 2.474 -6.679 -2.583 59 H LEU 12 H LEU 12 3.465 -6.139 1.691 60 HA LEU 12 HA LEU 12 5.463 -8.283 2.223 61 HB2 LEU 12 1HB LEU 12 5.775 -5.892 3.831 62 HB3 LEU 12 2HB LEU 12 6.919 -6.868 2.985 63 HG LEU 12 HG LEU 12 5.414 -4.435 2.081 64 HD11 LEU 12 1HD1 LEU 12 7.637 -4.447 3.314 65 HD12 LEU 12 2HD1 LEU 12 7.611 -3.537 1.783 66 HD13 LEU 12 3HD1 LEU 12 8.359 -5.148 1.867 67 HD21 LEU 12 3HD2 LEU 12 6.936 -6.207 0.153 68 HD22 LEU 12 1HD2 LEU 12 6.577 -4.471 -0.107 69 HD23 LEU 12 2HD2 LEU 12 5.258 -5.615 0.017 70 H CYS 13 H CYS 13 3.230 -6.174 3.955 71 HA CYS 13 HA CYS 13 3.059 -8.150 6.186 72 HB2 CYS 13 1HB CYS 13 2.568 -6.459 7.724 73 HB3 CYS 13 2HB CYS 13 4.040 -6.069 6.856 74 H LEU 14 H LEU 14 1.222 -7.390 3.603 75 HA LEU 14 HA LEU 14 -0.872 -7.836 2.947 76 HB2 LEU 14 1HB LEU 14 -1.079 -9.713 5.289 77 HB3 LEU 14 2HB LEU 14 -1.923 -9.797 3.748 78 HG LEU 14 HG LEU 14 1.051 -10.266 4.226 79 HD11 LEU 14 1HD1 LEU 14 -0.463 -12.090 4.905 80 HD12 LEU 14 2HD1 LEU 14 0.535 -12.545 3.515 81 HD13 LEU 14 3HD1 LEU 14 -1.173 -12.111 3.275 82 HD21 LEU 14 3HD2 LEU 14 -0.494 -10.270 1.597 83 HD22 LEU 14 1HD2 LEU 14 1.135 -10.949 1.820 84 HD23 LEU 14 2HD2 LEU 14 0.873 -9.221 2.033 85 H LYS 15 H LYS 15 -0.620 -5.632 4.991 86 HA LYS 15 HA LYS 15 -3.267 -5.307 6.163 87 HB2 LYS 15 1HB LYS 15 -1.231 -4.172 7.047 88 HB3 LYS 15 2HB LYS 15 -1.061 -3.346 5.477 89 HG2 LYS 15 1HG LYS 15 -3.130 -2.145 5.837 90 HG3 LYS 15 2HG LYS 15 -3.498 -3.087 7.300 91 HD2 LYS 15 1HD LYS 15 -1.546 -2.060 8.419 92 HD3 LYS 15 2HD LYS 15 -1.175 -1.138 6.958 93 HE2 LYS 15 1HE LYS 15 -3.730 -0.968 8.625 94 HE3 LYS 15 2HE LYS 15 -2.409 0.201 8.612 95 HZ1 LYS 15 3HZ LYS 15 -2.934 0.634 6.246 96 HZ2 LYS 15 1HZ LYS 15 -4.229 0.945 7.193 97 HZ3 LYS 15 2HZ LYS 15 -4.186 -0.413 6.286 98 H LYS 16 H LYS 16 -5.031 -4.187 5.394 99 HA LYS 16 HA LYS 16 -5.126 -3.466 2.537 100 HB2 LYS 16 1HB LYS 16 -6.822 -4.929 3.667 101 HB3 LYS 16 2HB LYS 16 -7.402 -3.509 4.549 102 HG2 LYS 16 1HG LYS 16 -8.074 -2.431 2.452 103 HG3 LYS 16 2HG LYS 16 -7.272 -3.694 1.502 104 HD2 LYS 16 1HD LYS 16 -8.846 -5.382 2.518 105 HD3 LYS 16 2HD LYS 16 -9.711 -4.033 3.294 106 HE2 LYS 16 1HE LYS 16 -10.111 -3.030 1.044 107 HE3 LYS 16 2HE LYS 16 -9.236 -4.378 0.295 108 HZ1 LYS 16 3HZ LYS 16 -11.760 -4.624 1.845 109 HZ2 LYS 16 1HZ LYS 16 -10.940 -5.880 1.182 110 HZ3 LYS 16 2HZ LYS 16 -11.624 -4.751 0.225 111 H PHE 17 H PHE 17 -5.884 -1.572 1.708 112 HA PHE 17 HA PHE 17 -5.783 0.939 3.306 113 HB2 PHE 17 1HB PHE 17 -4.212 0.241 0.785 114 HB3 PHE 17 2HB PHE 17 -4.391 1.875 1.401 115 HD1 PHE 17 1HD PHE 17 -2.800 -1.402 1.976 116 HD2 PHE 17 2HD PHE 17 -3.297 2.623 3.451 117 HE1 PHE 17 1HE PHE 17 -0.962 -1.761 3.600 118 HE2 PHE 17 2HE PHE 17 -1.415 2.276 5.036 119 HZ PHE 17 HZ PHE 17 -0.300 0.054 5.149 120 H VAL 18 H VAL 18 -6.768 2.715 2.388 121 HA VAL 18 HA VAL 18 -9.112 2.279 0.768 122 HB VAL 18 HB VAL 18 -9.010 3.830 2.647 123 HG11 VAL 18 1HG1 VAL 18 -7.936 6.023 2.506 124 HG12 VAL 18 2HG1 VAL 18 -6.719 4.755 2.396 125 HG13 VAL 18 3HG1 VAL 18 -7.238 5.625 0.932 126 HG21 VAL 18 3HG2 VAL 18 -10.243 5.672 1.726 127 HG22 VAL 18 1HG2 VAL 18 -9.595 5.384 0.103 128 HG23 VAL 18 2HG2 VAL 18 -10.693 4.197 0.852 129 H SER 19 H SER 19 -5.858 3.268 -0.052 130 HA SER 19 HA SER 19 -6.567 3.598 -2.908 131 HB2 SER 19 1HB SER 19 -6.861 5.832 -2.110 132 HB3 SER 19 2HB SER 19 -5.368 5.766 -1.166 133 HG SER 19 HG SER 19 -5.306 6.885 -3.282 134 H SER 20 H SER 20 -4.807 3.415 -4.329 135 HA SER 20 HA SER 20 -2.601 1.743 -3.585 136 HB2 SER 20 1HB SER 20 -1.765 2.287 -5.855 137 HB3 SER 20 2HB SER 20 -3.455 1.758 -5.845 138 HG SER 20 HG SER 20 -3.165 3.611 -7.159 139 H ILE 21 H ILE 21 -2.991 5.278 -3.725 140 HA ILE 21 HA ILE 21 -0.179 5.920 -3.496 141 HB ILE 21 HB ILE 21 -2.608 7.557 -2.675 142 HG12 ILE 21 1HG1 ILE 21 -2.882 7.009 -5.002 143 HG13 ILE 21 2HG1 ILE 21 -2.398 8.684 -4.860 144 HG21 ILE 21 1HG2 ILE 21 -0.623 8.502 -1.683 145 HG22 ILE 21 2HG2 ILE 21 0.281 8.361 -3.203 146 HG23 ILE 21 3HG2 ILE 21 -1.071 9.508 -3.059 147 HD11 ILE 21 3HD1 ILE 21 -0.061 8.054 -5.522 148 HD12 ILE 21 1HD1 ILE 21 -0.606 6.367 -5.716 149 HD13 ILE 21 2HD1 ILE 21 -1.272 7.642 -6.747 150 H ARG 22 H ARG 22 -2.748 5.432 -1.091 151 HA ARG 22 HA ARG 22 -1.182 6.050 1.270 152 HB2 ARG 22 1HB ARG 22 -3.616 4.241 0.922 153 HB3 ARG 22 2HB ARG 22 -2.993 4.802 2.462 154 HG2 ARG 22 1HG ARG 22 -3.968 6.708 0.286 155 HG3 ARG 22 2HG ARG 22 -5.026 6.018 1.500 156 HD2 ARG 22 1HD ARG 22 -2.599 7.695 2.128 157 HD3 ARG 22 2HD ARG 22 -4.227 8.333 1.992 158 HE ARG 22 HE ARG 22 -3.118 6.664 4.172 159 HH11 ARG 22 2HH1 ARG 22 -6.026 8.181 2.928 160 HH12 ARG 22 1HH1 ARG 22 -6.854 8.037 4.453 161 HH21 ARG 22 2HH2 ARG 22 -4.244 6.503 6.075 162 HH22 ARG 22 1HH2 ARG 22 -5.872 7.105 6.176 163 H LEU 23 H LEU 23 -1.798 3.047 -0.508 164 HA LEU 23 HA LEU 23 -0.267 1.276 1.147 165 HB2 LEU 23 1HB LEU 23 -1.883 0.358 -0.309 166 HB3 LEU 23 2HB LEU 23 -1.310 1.279 -1.693 167 HG LEU 23 HG LEU 23 0.718 -0.075 -1.848 168 HD11 LEU 23 1HD1 LEU 23 0.964 -0.717 0.573 169 HD12 LEU 23 2HD1 LEU 23 1.020 -2.075 -0.542 170 HD13 LEU 23 3HD1 LEU 23 -0.461 -1.748 0.406 171 HD21 LEU 23 3HD2 LEU 23 -0.337 -2.163 -2.573 172 HD22 LEU 23 1HD2 LEU 23 -1.310 -0.764 -3.060 173 HD23 LEU 23 2HD2 LEU 23 -1.805 -1.755 -1.664 174 H ARG 24 H ARG 24 0.634 3.077 -1.869 175 HA ARG 24 HA ARG 24 3.297 2.128 -2.053 176 HB2 ARG 24 1HB ARG 24 1.966 4.733 -2.882 177 HB3 ARG 24 2HB ARG 24 3.676 4.445 -3.198 178 HG2 ARG 24 1HG ARG 24 3.262 2.562 -4.603 179 HG3 ARG 24 2HG ARG 24 1.573 2.446 -4.113 180 HD2 ARG 24 1HD ARG 24 1.131 4.670 -5.153 181 HD3 ARG 24 2HD ARG 24 2.818 4.723 -5.707 182 HE ARG 24 HE ARG 24 1.658 2.283 -6.599 183 HH11 ARG 24 2HH1 ARG 24 1.357 5.697 -7.324 184 HH12 ARG 24 1HH1 ARG 24 0.772 5.395 -8.938 185 HH21 ARG 24 2HH2 ARG 24 0.926 1.970 -8.674 186 HH22 ARG 24 1HH2 ARG 24 0.546 3.338 -9.678 187 H SER 25 H SER 25 2.193 5.150 -0.505 188 HA SER 25 HA SER 25 4.730 5.849 0.581 189 HB2 SER 25 1HB SER 25 1.872 6.605 1.234 190 HB3 SER 25 2HB SER 25 3.266 7.329 2.085 191 HG SER 25 HG SER 25 2.606 8.561 0.245 192 H HIS 26 H HIS 26 2.101 3.846 2.048 193 HA HIS 26 HA HIS 26 3.235 3.484 4.616 194 HB2 HIS 26 1HB HIS 26 1.125 2.532 4.315 195 HB3 HIS 26 2HB HIS 26 1.548 1.754 2.808 196 HD1 HIS 26 1HD HIS 26 1.906 1.179 6.574 197 HD2 HIS 26 2HD HIS 26 2.701 -0.666 2.876 198 HE1 HIS 26 1HE HIS 26 2.376 -1.258 7.103 199 H ILE 27 H ILE 27 4.023 1.707 1.550 200 HA ILE 27 HA ILE 27 5.938 0.017 2.850 201 HB ILE 27 HB ILE 27 5.931 0.804 -0.079 202 HG12 ILE 27 1HG1 ILE 27 4.777 -1.759 1.072 203 HG13 ILE 27 2HG1 ILE 27 3.773 -0.335 0.827 204 HG21 ILE 27 1HG2 ILE 27 7.196 -1.495 1.378 205 HG22 ILE 27 2HG2 ILE 27 7.246 -1.239 -0.380 206 HG23 ILE 27 3HG2 ILE 27 8.061 -0.106 0.697 207 HD11 ILE 27 3HD1 ILE 27 5.299 -1.801 -1.348 208 HD12 ILE 27 1HD1 ILE 27 3.544 -1.745 -1.103 209 HD13 ILE 27 2HD1 ILE 27 4.421 -0.269 -1.572 210 H ARG 28 H ARG 28 6.328 3.229 1.309 211 HA ARG 28 HA ARG 28 9.204 3.238 1.599 212 HB2 ARG 28 1HB ARG 28 7.464 5.710 1.579 213 HB3 ARG 28 2HB ARG 28 9.145 5.543 1.079 214 HG2 ARG 28 1HG ARG 28 6.656 4.607 -0.359 215 HG3 ARG 28 2HG ARG 28 7.830 5.802 -0.894 216 HD2 ARG 28 1HD ARG 28 9.513 3.951 -1.091 217 HD3 ARG 28 2HD ARG 28 8.219 2.788 -0.684 218 HE ARG 28 HE ARG 28 7.175 4.244 -2.784 219 HH11 ARG 28 2HH1 ARG 28 10.090 2.311 -2.471 220 HH12 ARG 28 1HH1 ARG 28 10.046 1.833 -4.153 221 HH21 ARG 28 2HH2 ARG 28 7.221 3.630 -4.918 222 HH22 ARG 28 1HH2 ARG 28 8.474 2.573 -5.490 223 H GLU 29 H GLU 29 6.632 4.420 3.784 224 HA GLU 29 HA GLU 29 8.657 5.505 5.620 225 HB2 GLU 29 1HB GLU 29 6.948 6.574 6.736 226 HB3 GLU 29 2HB GLU 29 6.526 6.661 5.022 227 HG2 GLU 29 1HG GLU 29 4.952 4.693 5.464 228 HG3 GLU 29 2HG GLU 29 5.290 4.929 7.180 229 H VAL 30 H VAL 30 6.568 2.664 5.595 230 HA VAL 30 HA VAL 30 7.413 1.961 8.357 231 HB VAL 30 HB VAL 30 5.342 0.546 6.643 232 HG11 VAL 30 1HG1 VAL 30 5.878 0.515 9.642 233 HG12 VAL 30 2HG1 VAL 30 4.507 -0.273 8.830 234 HG13 VAL 30 3HG1 VAL 30 6.146 -0.830 8.507 235 HG21 VAL 30 3HG2 VAL 30 3.679 1.776 8.122 236 HG22 VAL 30 1HG2 VAL 30 5.018 2.816 8.655 237 HG23 VAL 30 2HG2 VAL 30 4.514 2.790 6.950 238 H HIS 31 H HIS 31 7.762 0.721 5.037 239 HA HIS 31 HA HIS 31 9.393 -1.549 6.123 240 HB2 HIS 31 1HB HIS 31 8.077 -1.241 3.419 241 HB3 HIS 31 2HB HIS 31 9.001 -2.621 3.971 242 HD1 HIS 31 1HD HIS 31 7.786 -3.550 6.560 243 HD2 HIS 31 2HD HIS 31 5.605 -1.967 3.348 244 HE1 HIS 31 1HE HIS 31 5.464 -4.552 6.731 245 H GLY 32 H GLY 32 9.714 1.440 4.409 246 HA2 GLY 32 1HA GLY 32 11.590 2.585 3.829 247 HA3 GLY 32 2HA GLY 32 12.562 1.343 4.624 248 H ALA 33 H ALA 33 10.484 0.514 1.872 249 HA ALA 33 HA ALA 33 12.765 -0.423 0.344 250 HB1 ALA 33 1HB ALA 33 9.878 -0.104 -0.542 251 HB2 ALA 33 2HB ALA 33 11.119 -1.122 -1.284 252 HB3 ALA 33 3HB ALA 33 10.519 -1.515 0.339 253 H ALA 34 H ALA 34 14.146 1.119 -0.351 254 HA ALA 34 HA ALA 34 13.143 3.300 -2.135 255 HB1 ALA 34 1HB ALA 34 13.625 4.109 0.155 256 HB2 ALA 34 2HB ALA 34 15.287 3.489 0.020 257 HB3 ALA 34 3HB ALA 34 14.734 4.808 -1.038 258 H GLN 35 H GLN 35 14.651 0.558 -2.497 259 HA GLN 35 HA GLN 35 17.178 1.285 -3.779 260 HB2 GLN 35 1HB GLN 35 15.619 -1.330 -3.687 261 HB3 GLN 35 2HB GLN 35 17.213 -1.121 -4.422 262 HG2 GLN 35 1HG GLN 35 18.137 -0.397 -2.224 263 HG3 GLN 35 2HG GLN 35 16.564 -0.663 -1.475 264 HE21 GLN 35 1HE2 GLN 35 18.407 -2.036 -0.202 265 HE22 GLN 35 2HE2 GLN 35 18.440 -3.724 -0.698 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -25.332 -3.973 2.765 2 H2 GLY 1 2H GLY 1 -26.068 -4.604 4.087 3 H3 GLY 1 3H GLY 1 -24.473 -4.883 3.821 4 HA2 GLY 1 1HA GLY 1 -25.663 -2.235 4.382 5 HA3 GLY 1 2HA GLY 1 -24.785 -3.223 5.565 6 H SER 2 H SER 2 -22.810 -2.352 5.897 7 HA SER 2 HA SER 2 -21.242 -1.005 3.831 8 HB2 SER 2 1HB SER 2 -19.568 -0.827 5.703 9 HB3 SER 2 2HB SER 2 -21.146 -0.091 6.007 10 HG SER 2 HG SER 2 -20.392 -1.348 7.793 11 H SER 3 H SER 3 -21.821 -3.428 2.862 12 HA SER 3 HA SER 3 -19.942 -5.516 3.557 13 HB2 SER 3 1HB SER 3 -21.924 -5.387 1.260 14 HB3 SER 3 2HB SER 3 -21.224 -6.843 1.990 15 HG SER 3 HG SER 3 -22.367 -6.429 3.875 16 H GLY 4 H GLY 4 -19.785 -2.966 1.228 17 HA2 GLY 4 1HA GLY 4 -18.020 -4.273 -0.701 18 HA3 GLY 4 2HA GLY 4 -18.394 -2.555 -0.598 19 H SER 5 H SER 5 -15.860 -3.310 -1.201 20 HA SER 5 HA SER 5 -14.334 -2.172 1.055 21 HB2 SER 5 1HB SER 5 -14.144 -4.556 1.514 22 HB3 SER 5 2HB SER 5 -13.617 -4.872 -0.144 23 HG SER 5 HG SER 5 -12.276 -3.285 1.815 24 H SER 6 H SER 6 -13.508 -3.795 -2.047 25 HA SER 6 HA SER 6 -12.150 -3.220 -3.746 26 HB2 SER 6 1HB SER 6 -13.448 -0.497 -3.474 27 HB3 SER 6 2HB SER 6 -12.645 -1.149 -4.914 28 HG SER 6 HG SER 6 -14.924 -1.423 -4.996 29 H GLY 7 H GLY 7 -10.964 -2.741 -1.016 30 HA2 GLY 7 1HA GLY 7 -9.118 -0.512 -1.262 31 HA3 GLY 7 2HA GLY 7 -9.099 -1.763 -0.032 32 H TYR 8 H TYR 8 -6.777 -0.881 -0.826 33 HA TYR 8 HA TYR 8 -5.563 -2.874 -2.714 34 HB2 TYR 8 1HB TYR 8 -4.558 -0.135 -1.855 35 HB3 TYR 8 2HB TYR 8 -3.735 -1.248 -2.933 36 HD1 TYR 8 2HD TYR 8 -6.812 0.863 -2.615 37 HD2 TYR 8 1HD TYR 8 -4.193 -1.319 -5.263 38 HE1 TYR 8 2HE TYR 8 -7.962 1.870 -4.576 39 HE2 TYR 8 1HE TYR 8 -5.339 -0.296 -7.227 40 HH TYR 8 HH TYR 8 -8.062 2.007 -6.864 41 H VAL 9 H VAL 9 -3.710 -4.060 -1.953 42 HA VAL 9 HA VAL 9 -3.339 -3.938 1.013 43 HB VAL 9 HB VAL 9 -3.589 -6.468 -0.631 44 HG11 VAL 9 1HG1 VAL 9 -3.775 -7.529 1.641 45 HG12 VAL 9 2HG1 VAL 9 -2.199 -6.806 1.340 46 HG13 VAL 9 3HG1 VAL 9 -3.363 -5.963 2.374 47 HG21 VAL 9 3HG2 VAL 9 -5.737 -6.789 0.584 48 HG22 VAL 9 1HG2 VAL 9 -5.582 -5.161 1.272 49 HG23 VAL 9 2HG2 VAL 9 -5.797 -5.385 -0.478 50 H CYS 10 H CYS 10 -1.428 -4.257 1.898 51 HA CYS 10 HA CYS 10 1.010 -3.883 0.502 52 HB2 CYS 10 1HB CYS 10 0.454 -3.316 2.851 53 HB3 CYS 10 2HB CYS 10 0.482 -5.042 3.248 54 H ALA 11 H ALA 11 2.456 -5.186 -0.403 55 HA ALA 11 HA ALA 11 1.888 -8.059 -0.694 56 HB1 ALA 11 1HB ALA 11 3.740 -8.001 -2.301 57 HB2 ALA 11 2HB ALA 11 2.574 -6.708 -2.635 58 HB3 ALA 11 3HB ALA 11 4.119 -6.330 -1.840 59 H LEU 12 H LEU 12 3.414 -6.247 1.665 60 HA LEU 12 HA LEU 12 5.531 -8.274 2.247 61 HB2 LEU 12 1HB LEU 12 5.324 -5.399 3.203 62 HB3 LEU 12 2HB LEU 12 6.627 -6.533 3.472 63 HG LEU 12 HG LEU 12 6.947 -6.533 0.887 64 HD11 LEU 12 1HD1 LEU 12 5.320 -3.961 1.211 65 HD12 LEU 12 2HD1 LEU 12 4.941 -5.304 0.125 66 HD13 LEU 12 3HD1 LEU 12 6.367 -4.327 -0.174 67 HD21 LEU 12 3HD2 LEU 12 8.434 -5.478 2.561 68 HD22 LEU 12 1HD2 LEU 12 7.396 -4.040 2.532 69 HD23 LEU 12 2HD2 LEU 12 8.328 -4.495 1.087 70 H CYS 13 H CYS 13 3.242 -6.146 3.940 71 HA CYS 13 HA CYS 13 3.081 -8.122 6.172 72 HB2 CYS 13 1HB CYS 13 2.588 -6.436 7.713 73 HB3 CYS 13 2HB CYS 13 4.062 -6.042 6.849 74 H LEU 14 H LEU 14 1.233 -7.314 3.587 75 HA LEU 14 HA LEU 14 -0.894 -7.678 2.951 76 HB2 LEU 14 1HB LEU 14 -0.515 -9.824 5.022 77 HB3 LEU 14 2HB LEU 14 -1.998 -9.689 4.092 78 HG LEU 14 HG LEU 14 -0.794 -9.906 1.976 79 HD11 LEU 14 1HD1 LEU 14 1.555 -10.798 1.983 80 HD12 LEU 14 2HD1 LEU 14 1.693 -10.323 3.691 81 HD13 LEU 14 3HD1 LEU 14 1.451 -9.101 2.416 82 HD21 LEU 14 3HD2 LEU 14 -1.715 -11.875 3.146 83 HD22 LEU 14 1HD2 LEU 14 -0.161 -12.109 3.980 84 HD23 LEU 14 2HD2 LEU 14 -0.268 -12.290 2.213 85 H LYS 15 H LYS 15 -0.610 -5.540 4.850 86 HA LYS 15 HA LYS 15 -3.239 -5.243 6.136 87 HB2 LYS 15 1HB LYS 15 -1.092 -4.323 7.040 88 HB3 LYS 15 2HB LYS 15 -0.992 -3.297 5.592 89 HG2 LYS 15 1HG LYS 15 -2.942 -2.032 6.258 90 HG3 LYS 15 2HG LYS 15 -3.357 -3.209 7.520 91 HD2 LYS 15 1HD LYS 15 -1.379 -2.591 8.817 92 HD3 LYS 15 2HD LYS 15 -0.843 -1.482 7.541 93 HE2 LYS 15 1HE LYS 15 -2.899 -0.133 7.824 94 HE3 LYS 15 2HE LYS 15 -3.489 -1.261 9.049 95 HZ1 LYS 15 3HZ LYS 15 -2.453 0.675 10.073 96 HZ2 LYS 15 1HZ LYS 15 -1.033 0.395 9.316 97 HZ3 LYS 15 2HZ LYS 15 -1.587 -0.655 10.443 98 H LYS 16 H LYS 16 -4.936 -3.995 5.411 99 HA LYS 16 HA LYS 16 -4.957 -3.235 2.551 100 HB2 LYS 16 1HB LYS 16 -6.678 -4.760 3.436 101 HB3 LYS 16 2HB LYS 16 -7.247 -3.493 4.530 102 HG2 LYS 16 1HG LYS 16 -7.901 -2.081 2.648 103 HG3 LYS 16 2HG LYS 16 -7.204 -3.216 1.484 104 HD2 LYS 16 1HD LYS 16 -9.480 -3.916 3.389 105 HD3 LYS 16 2HD LYS 16 -9.721 -3.255 1.767 106 HE2 LYS 16 1HE LYS 16 -8.526 -5.168 0.766 107 HE3 LYS 16 2HE LYS 16 -8.261 -5.865 2.371 108 HZ1 LYS 16 3HZ LYS 16 -10.234 -6.794 1.211 109 HZ2 LYS 16 1HZ LYS 16 -10.954 -5.318 1.232 110 HZ3 LYS 16 2HZ LYS 16 -10.643 -6.097 2.630 111 H PHE 17 H PHE 17 -5.512 -1.329 1.732 112 HA PHE 17 HA PHE 17 -5.687 1.110 3.432 113 HB2 PHE 17 1HB PHE 17 -3.901 0.601 1.014 114 HB3 PHE 17 2HB PHE 17 -4.141 2.173 1.764 115 HD1 PHE 17 2HD PHE 17 -3.371 2.628 4.081 116 HD2 PHE 17 1HD PHE 17 -2.460 -1.080 2.069 117 HE1 PHE 17 2HE PHE 17 -1.708 2.077 5.845 118 HE2 PHE 17 1HE PHE 17 -0.791 -1.617 3.822 119 HZ PHE 17 HZ PHE 17 -0.456 -0.067 5.732 120 H VAL 18 H VAL 18 -6.593 2.938 2.428 121 HA VAL 18 HA VAL 18 -8.925 2.405 0.858 122 HB VAL 18 HB VAL 18 -8.803 4.087 2.614 123 HG11 VAL 18 1HG1 VAL 18 -7.765 6.281 2.275 124 HG12 VAL 18 2HG1 VAL 18 -6.551 5.003 2.259 125 HG13 VAL 18 3HG1 VAL 18 -7.072 5.754 0.733 126 HG21 VAL 18 3HG2 VAL 18 -10.098 5.832 1.591 127 HG22 VAL 18 1HG2 VAL 18 -9.488 5.430 -0.022 128 HG23 VAL 18 2HG2 VAL 18 -10.536 4.285 0.847 129 H SER 19 H SER 19 -5.708 3.462 -0.133 130 HA SER 19 HA SER 19 -6.568 3.338 -2.954 131 HB2 SER 19 1HB SER 19 -5.971 5.451 -3.593 132 HB3 SER 19 2HB SER 19 -6.672 5.783 -2.000 133 HG SER 19 HG SER 19 -4.734 6.855 -2.219 134 H SER 20 H SER 20 -4.779 3.306 -4.488 135 HA SER 20 HA SER 20 -2.552 1.664 -3.761 136 HB2 SER 20 1HB SER 20 -1.731 2.256 -6.032 137 HB3 SER 20 2HB SER 20 -3.409 1.689 -6.016 138 HG SER 20 HG SER 20 -3.160 3.573 -7.307 139 H ILE 21 H ILE 21 -2.993 5.182 -3.806 140 HA ILE 21 HA ILE 21 -0.172 5.849 -3.540 141 HB ILE 21 HB ILE 21 -2.714 7.422 -2.998 142 HG12 ILE 21 1HG1 ILE 21 -2.455 6.917 -5.357 143 HG13 ILE 21 2HG1 ILE 21 -2.210 8.624 -5.049 144 HG21 ILE 21 1HG2 ILE 21 -1.222 9.443 -3.009 145 HG22 ILE 21 2HG2 ILE 21 -1.090 8.408 -1.586 146 HG23 ILE 21 3HG2 ILE 21 0.168 8.341 -2.844 147 HD11 ILE 21 3HD1 ILE 21 -0.020 6.579 -5.624 148 HD12 ILE 21 1HD1 ILE 21 -0.615 7.846 -6.703 149 HD13 ILE 21 2HD1 ILE 21 0.268 8.293 -5.236 150 H ARG 22 H ARG 22 -2.859 5.442 -1.171 151 HA ARG 22 HA ARG 22 -1.167 6.025 1.123 152 HB2 ARG 22 1HB ARG 22 -3.705 4.347 1.059 153 HB3 ARG 22 2HB ARG 22 -2.942 5.053 2.480 154 HG2 ARG 22 1HG ARG 22 -4.461 6.442 0.272 155 HG3 ARG 22 2HG ARG 22 -4.807 6.409 1.992 156 HD2 ARG 22 1HD ARG 22 -2.568 7.894 0.611 157 HD3 ARG 22 2HD ARG 22 -4.047 8.597 1.226 158 HE ARG 22 HE ARG 22 -1.679 7.830 2.777 159 HH11 ARG 22 2HH1 ARG 22 -5.093 8.576 3.095 160 HH12 ARG 22 1HH1 ARG 22 -4.942 8.925 4.795 161 HH21 ARG 22 2HH2 ARG 22 -1.571 8.281 4.942 162 HH22 ARG 22 1HH2 ARG 22 -3.002 8.765 5.802 163 H LEU 23 H LEU 23 -1.890 3.030 -0.617 164 HA LEU 23 HA LEU 23 -0.421 1.244 1.081 165 HB2 LEU 23 1HB LEU 23 -1.986 0.334 -0.455 166 HB3 LEU 23 2HB LEU 23 -1.331 1.248 -1.810 167 HG LEU 23 HG LEU 23 0.696 -0.103 -1.838 168 HD11 LEU 23 1HD1 LEU 23 0.917 -2.104 -0.502 169 HD12 LEU 23 2HD1 LEU 23 -0.597 -1.751 0.376 170 HD13 LEU 23 3HD1 LEU 23 0.832 -0.727 0.587 171 HD21 LEU 23 3HD2 LEU 23 -0.286 -2.199 -2.611 172 HD22 LEU 23 1HD2 LEU 23 -1.273 -0.826 -3.144 173 HD23 LEU 23 2HD2 LEU 23 -1.799 -1.830 -1.767 174 H ARG 24 H ARG 24 0.587 3.025 -1.930 175 HA ARG 24 HA ARG 24 3.279 2.109 -1.910 176 HB2 ARG 24 1HB ARG 24 1.941 4.623 -2.958 177 HB3 ARG 24 2HB ARG 24 3.680 4.376 -3.140 178 HG2 ARG 24 1HG ARG 24 3.405 2.407 -4.470 179 HG3 ARG 24 2HG ARG 24 1.675 2.307 -4.124 180 HD2 ARG 24 1HD ARG 24 1.294 4.455 -5.278 181 HD3 ARG 24 2HD ARG 24 3.013 4.599 -5.635 182 HE ARG 24 HE ARG 24 1.033 2.872 -6.953 183 HH11 ARG 24 2HH1 ARG 24 4.484 3.376 -6.572 184 HH12 ARG 24 1HH1 ARG 24 4.859 2.493 -8.027 185 HH21 ARG 24 2HH2 ARG 24 1.589 1.767 -8.794 186 HH22 ARG 24 1HH2 ARG 24 3.261 1.616 -9.245 187 H SER 25 H SER 25 1.952 5.099 -0.506 188 HA SER 25 HA SER 25 4.344 6.057 0.672 189 HB2 SER 25 1HB SER 25 2.230 7.342 0.375 190 HB3 SER 25 2HB SER 25 1.479 6.391 1.670 191 HG SER 25 HG SER 25 2.369 8.430 2.376 192 H HIS 26 H HIS 26 1.914 3.782 2.053 193 HA HIS 26 HA HIS 26 3.037 3.491 4.652 194 HB2 HIS 26 1HB HIS 26 0.961 2.470 4.371 195 HB3 HIS 26 2HB HIS 26 1.384 1.723 2.850 196 HD1 HIS 26 1HD HIS 26 1.896 1.137 6.607 197 HD2 HIS 26 2HD HIS 26 2.544 -0.684 2.871 198 HE1 HIS 26 1HE HIS 26 2.439 -1.289 7.104 199 H ILE 27 H ILE 27 3.874 1.727 1.620 200 HA ILE 27 HA ILE 27 5.766 0.007 2.882 201 HB ILE 27 HB ILE 27 5.688 0.902 -0.026 202 HG12 ILE 27 1HG1 ILE 27 4.553 -1.659 1.203 203 HG13 ILE 27 2HG1 ILE 27 3.579 -0.249 0.854 204 HG21 ILE 27 1HG2 ILE 27 6.977 -1.565 1.221 205 HG22 ILE 27 2HG2 ILE 27 7.012 -1.107 -0.491 206 HG23 ILE 27 3HG2 ILE 27 7.870 -0.120 0.680 207 HD11 ILE 27 3HD1 ILE 27 4.185 -0.400 -1.554 208 HD12 ILE 27 1HD1 ILE 27 5.046 -1.922 -1.207 209 HD13 ILE 27 2HD1 ILE 27 3.304 -1.811 -0.938 210 H ARG 28 H ARG 28 6.188 3.277 1.501 211 HA ARG 28 HA ARG 28 9.085 3.232 1.916 212 HB2 ARG 28 1HB ARG 28 7.431 5.746 1.802 213 HB3 ARG 28 2HB ARG 28 9.115 5.499 1.344 214 HG2 ARG 28 1HG ARG 28 6.610 4.687 -0.137 215 HG3 ARG 28 2HG ARG 28 7.836 5.821 -0.667 216 HD2 ARG 28 1HD ARG 28 8.221 2.807 -0.383 217 HD3 ARG 28 2HD ARG 28 7.812 3.633 -1.869 218 HE ARG 28 HE ARG 28 10.419 3.773 -0.410 219 HH11 ARG 28 2HH1 ARG 28 8.681 4.681 -3.372 220 HH12 ARG 28 1HH1 ARG 28 10.231 4.852 -4.207 221 HH21 ARG 28 2HH2 ARG 28 12.208 4.085 -1.641 222 HH22 ARG 28 1HH2 ARG 28 12.006 4.597 -3.330 223 H GLU 29 H GLU 29 6.343 4.390 3.845 224 HA GLU 29 HA GLU 29 7.920 5.687 5.858 225 HB2 GLU 29 1HB GLU 29 5.059 4.674 5.767 226 HB3 GLU 29 2HB GLU 29 5.722 5.457 7.196 227 HG2 GLU 29 1HG GLU 29 5.717 6.779 4.450 228 HG3 GLU 29 2HG GLU 29 4.419 6.954 5.628 229 H VAL 30 H VAL 30 6.624 2.323 5.758 230 HA VAL 30 HA VAL 30 8.077 1.849 8.336 231 HB VAL 30 HB VAL 30 6.568 0.302 8.979 232 HG11 VAL 30 1HG1 VAL 30 4.858 2.458 7.686 233 HG12 VAL 30 2HG1 VAL 30 4.458 1.506 9.130 234 HG13 VAL 30 3HG1 VAL 30 5.799 2.668 9.183 235 HG21 VAL 30 3HG2 VAL 30 4.599 -0.492 7.772 236 HG22 VAL 30 1HG2 VAL 30 5.151 0.336 6.302 237 HG23 VAL 30 2HG2 VAL 30 6.089 -1.004 6.996 238 H HIS 31 H HIS 31 7.814 0.546 5.068 239 HA HIS 31 HA HIS 31 9.567 -1.743 5.898 240 HB2 HIS 31 1HB HIS 31 8.115 -1.353 3.278 241 HB3 HIS 31 2HB HIS 31 9.034 -2.756 3.783 242 HD1 HIS 31 1HD HIS 31 7.872 -3.687 6.413 243 HD2 HIS 31 2HD HIS 31 5.620 -2.000 3.304 244 HE1 HIS 31 1HE HIS 31 5.498 -4.528 6.734 245 H GLY 32 H GLY 32 9.730 1.330 4.482 246 HA2 GLY 32 1HA GLY 32 11.431 2.568 3.610 247 HA3 GLY 32 2HA GLY 32 12.519 1.468 4.469 248 H ALA 33 H ALA 33 10.415 0.805 1.606 249 HA ALA 33 HA ALA 33 12.388 -0.565 0.164 250 HB1 ALA 33 1HB ALA 33 10.736 -0.444 -1.678 251 HB2 ALA 33 2HB ALA 33 9.983 -0.893 -0.143 252 HB3 ALA 33 3HB ALA 33 9.807 0.766 -0.770 253 H ALA 34 H ALA 34 13.288 -0.105 -1.730 254 HA ALA 34 HA ALA 34 14.547 2.572 -1.915 255 HB1 ALA 34 1HB ALA 34 15.915 0.592 -1.370 256 HB2 ALA 34 2HB ALA 34 15.484 -0.132 -2.940 257 HB3 ALA 34 3HB ALA 34 16.440 1.365 -2.875 258 H GLN 35 H GLN 35 11.987 1.568 -3.448 259 HA GLN 35 HA GLN 35 12.536 1.559 -6.245 260 HB2 GLN 35 1HB GLN 35 9.990 2.237 -4.716 261 HB3 GLN 35 2HB GLN 35 10.087 2.004 -6.465 262 HG2 GLN 35 1HG GLN 35 10.904 -0.319 -6.119 263 HG3 GLN 35 2HG GLN 35 10.774 -0.109 -4.374 264 HE21 GLN 35 1HE2 GLN 35 9.397 -2.217 -5.149 265 HE22 GLN 35 2HE2 GLN 35 7.680 -1.864 -5.291 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -16.397 -8.836 -2.072 2 H2 GLY 1 2H GLY 1 -15.440 -9.613 -0.997 3 H3 GLY 1 3H GLY 1 -16.992 -10.092 -1.204 4 HA2 GLY 1 1HA GLY 1 -15.500 -11.634 -2.293 5 HA3 GLY 1 2HA GLY 1 -16.560 -10.807 -3.449 6 H SER 2 H SER 2 -14.120 -12.016 -4.158 7 HA SER 2 HA SER 2 -12.016 -10.001 -4.359 8 HB2 SER 2 1HB SER 2 -12.185 -12.773 -5.584 9 HB3 SER 2 2HB SER 2 -10.732 -11.771 -5.412 10 HG SER 2 HG SER 2 -10.920 -13.334 -3.733 11 H SER 3 H SER 3 -14.751 -10.512 -6.277 12 HA SER 3 HA SER 3 -13.656 -10.368 -8.901 13 HB2 SER 3 1HB SER 3 -16.461 -9.640 -7.990 14 HB3 SER 3 2HB SER 3 -15.956 -10.095 -9.628 15 HG SER 3 HG SER 3 -16.868 -11.870 -8.495 16 H GLY 4 H GLY 4 -14.226 -7.779 -6.650 17 HA2 GLY 4 1HA GLY 4 -12.983 -5.772 -8.122 18 HA3 GLY 4 2HA GLY 4 -14.695 -5.626 -8.526 19 H SER 5 H SER 5 -13.270 -3.606 -7.273 20 HA SER 5 HA SER 5 -13.165 -2.175 -5.529 21 HB2 SER 5 1HB SER 5 -15.939 -3.227 -4.913 22 HB3 SER 5 2HB SER 5 -15.252 -1.685 -4.371 23 HG SER 5 HG SER 5 -16.543 -1.454 -6.265 24 H SER 6 H SER 6 -12.044 -4.819 -4.945 25 HA SER 6 HA SER 6 -12.676 -5.580 -2.261 26 HB2 SER 6 1HB SER 6 -10.222 -6.335 -3.876 27 HB3 SER 6 2HB SER 6 -10.966 -7.252 -2.556 28 HG SER 6 HG SER 6 -12.778 -7.609 -3.881 29 H GLY 7 H GLY 7 -10.688 -3.026 -3.280 30 HA2 GLY 7 1HA GLY 7 -9.452 -1.525 -1.972 31 HA3 GLY 7 2HA GLY 7 -9.436 -2.658 -0.626 32 H TYR 8 H TYR 8 -7.181 -1.260 -1.299 33 HA TYR 8 HA TYR 8 -5.379 -2.991 -2.913 34 HB2 TYR 8 1HB TYR 8 -4.865 -0.302 -1.601 35 HB3 TYR 8 2HB TYR 8 -3.798 -1.147 -2.705 36 HD1 TYR 8 2HD TYR 8 -6.940 0.797 -2.432 37 HD2 TYR 8 1HD TYR 8 -4.216 -1.206 -5.115 38 HE1 TYR 8 2HE TYR 8 -8.028 1.915 -4.378 39 HE2 TYR 8 1HE TYR 8 -5.296 -0.078 -7.053 40 HH TYR 8 HH TYR 8 -6.927 1.376 -7.747 41 H VAL 9 H VAL 9 -3.603 -4.107 -1.981 42 HA VAL 9 HA VAL 9 -3.386 -4.030 0.988 43 HB VAL 9 HB VAL 9 -3.565 -6.584 -0.640 44 HG11 VAL 9 1HG1 VAL 9 -2.153 -6.886 1.307 45 HG12 VAL 9 2HG1 VAL 9 -3.311 -6.050 2.355 46 HG13 VAL 9 3HG1 VAL 9 -3.710 -7.632 1.648 47 HG21 VAL 9 3HG2 VAL 9 -5.577 -5.348 1.287 48 HG22 VAL 9 1HG2 VAL 9 -5.804 -5.566 -0.465 49 HG23 VAL 9 2HG2 VAL 9 -5.688 -6.976 0.586 50 H CYS 10 H CYS 10 -1.454 -4.293 1.873 51 HA CYS 10 HA CYS 10 0.963 -3.908 0.427 52 HB2 CYS 10 1HB CYS 10 0.429 -3.251 2.758 53 HB3 CYS 10 2HB CYS 10 0.467 -4.956 3.230 54 H ALA 11 H ALA 11 2.428 -5.215 -0.435 55 HA ALA 11 HA ALA 11 1.895 -8.096 -0.644 56 HB1 ALA 11 1HB ALA 11 4.128 -6.378 -1.805 57 HB2 ALA 11 2HB ALA 11 3.763 -8.061 -2.234 58 HB3 ALA 11 3HB ALA 11 2.593 -6.783 -2.607 59 H LEU 12 H LEU 12 3.403 -6.215 1.679 60 HA LEU 12 HA LEU 12 5.518 -8.225 2.327 61 HB2 LEU 12 1HB LEU 12 5.300 -5.327 3.207 62 HB3 LEU 12 2HB LEU 12 6.601 -6.453 3.519 63 HG LEU 12 HG LEU 12 6.924 -6.527 0.927 64 HD11 LEU 12 1HD1 LEU 12 4.926 -5.277 0.151 65 HD12 LEU 12 2HD1 LEU 12 6.371 -4.341 -0.184 66 HD13 LEU 12 3HD1 LEU 12 5.346 -3.915 1.199 67 HD21 LEU 12 3HD2 LEU 12 8.333 -4.500 1.088 68 HD22 LEU 12 1HD2 LEU 12 8.429 -5.464 2.577 69 HD23 LEU 12 2HD2 LEU 12 7.411 -4.012 2.529 70 H CYS 13 H CYS 13 3.229 -6.052 3.970 71 HA CYS 13 HA CYS 13 3.076 -7.971 6.251 72 HB2 CYS 13 1HB CYS 13 2.521 -6.247 7.729 73 HB3 CYS 13 2HB CYS 13 3.995 -5.850 6.867 74 H LEU 14 H LEU 14 1.220 -7.270 3.626 75 HA LEU 14 HA LEU 14 -0.899 -7.684 2.995 76 HB2 LEU 14 1HB LEU 14 -0.486 -9.784 5.105 77 HB3 LEU 14 2HB LEU 14 -1.974 -9.689 4.177 78 HG LEU 14 HG LEU 14 -0.771 -9.922 2.061 79 HD11 LEU 14 1HD1 LEU 14 1.463 -9.075 2.483 80 HD12 LEU 14 2HD1 LEU 14 1.592 -10.778 2.074 81 HD13 LEU 14 3HD1 LEU 14 1.726 -10.275 3.774 82 HD21 LEU 14 3HD2 LEU 14 -1.658 -11.886 3.266 83 HD22 LEU 14 1HD2 LEU 14 -0.099 -12.082 4.101 84 HD23 LEU 14 2HD2 LEU 14 -0.208 -12.294 2.338 85 H LYS 15 H LYS 15 -0.633 -5.521 4.872 86 HA LYS 15 HA LYS 15 -3.252 -5.208 6.165 87 HB2 LYS 15 1HB LYS 15 -1.105 -4.256 7.005 88 HB3 LYS 15 2HB LYS 15 -1.015 -3.276 5.526 89 HG2 LYS 15 1HG LYS 15 -2.973 -1.998 6.165 90 HG3 LYS 15 2HG LYS 15 -3.343 -3.100 7.498 91 HD2 LYS 15 1HD LYS 15 -0.849 -1.347 7.353 92 HD3 LYS 15 2HD LYS 15 -2.346 -0.912 8.195 93 HE2 LYS 15 1HE LYS 15 -2.123 -2.996 9.587 94 HE3 LYS 15 2HE LYS 15 -0.558 -3.305 8.824 95 HZ1 LYS 15 3HZ LYS 15 -1.226 -0.897 10.435 96 HZ2 LYS 15 1HZ LYS 15 0.224 -1.177 9.730 97 HZ3 LYS 15 2HZ LYS 15 -0.300 -2.141 10.936 98 H LYS 16 H LYS 16 -4.983 -4.017 5.412 99 HA LYS 16 HA LYS 16 -5.037 -3.373 2.534 100 HB2 LYS 16 1HB LYS 16 -6.684 -4.910 3.535 101 HB3 LYS 16 2HB LYS 16 -7.313 -3.594 4.533 102 HG2 LYS 16 1HG LYS 16 -8.050 -2.363 2.571 103 HG3 LYS 16 2HG LYS 16 -7.247 -3.498 1.479 104 HD2 LYS 16 1HD LYS 16 -9.537 -4.231 3.346 105 HD3 LYS 16 2HD LYS 16 -9.720 -3.774 1.641 106 HE2 LYS 16 1HE LYS 16 -8.098 -5.677 1.078 107 HE3 LYS 16 2HE LYS 16 -8.270 -6.213 2.757 108 HZ1 LYS 16 3HZ LYS 16 -9.847 -7.364 1.345 109 HZ2 LYS 16 1HZ LYS 16 -10.439 -5.961 0.748 110 HZ3 LYS 16 2HZ LYS 16 -10.704 -6.370 2.322 111 H PHE 17 H PHE 17 -5.717 -1.501 1.639 112 HA PHE 17 HA PHE 17 -5.782 0.991 3.277 113 HB2 PHE 17 1HB PHE 17 -4.098 0.369 0.818 114 HB3 PHE 17 2HB PHE 17 -4.312 1.982 1.481 115 HD1 PHE 17 2HD PHE 17 -3.397 2.612 3.693 116 HD2 PHE 17 1HD PHE 17 -2.662 -1.273 1.962 117 HE1 PHE 17 2HE PHE 17 -1.631 2.188 5.388 118 HE2 PHE 17 1HE PHE 17 -0.898 -1.686 3.655 119 HZ PHE 17 HZ PHE 17 -0.416 0.021 5.391 120 H VAL 18 H VAL 18 -6.749 2.770 2.379 121 HA VAL 18 HA VAL 18 -9.077 2.390 0.753 122 HB VAL 18 HB VAL 18 -9.023 4.011 2.524 123 HG11 VAL 18 1HG1 VAL 18 -6.973 5.599 0.929 124 HG12 VAL 18 2HG1 VAL 18 -7.754 6.099 2.440 125 HG13 VAL 18 3HG1 VAL 18 -6.650 4.725 2.453 126 HG21 VAL 18 3HG2 VAL 18 -9.188 5.598 -0.066 127 HG22 VAL 18 1HG2 VAL 18 -10.481 4.530 0.546 128 HG23 VAL 18 2HG2 VAL 18 -9.975 5.956 1.476 129 H SER 19 H SER 19 -5.804 3.471 -0.095 130 HA SER 19 HA SER 19 -6.554 3.371 -2.947 131 HB2 SER 19 1HB SER 19 -5.902 5.486 -3.536 132 HB3 SER 19 2HB SER 19 -6.725 5.790 -2.005 133 HG SER 19 HG SER 19 -4.787 6.890 -2.048 134 H SER 20 H SER 20 -4.744 3.281 -4.413 135 HA SER 20 HA SER 20 -2.508 1.695 -3.579 136 HB2 SER 20 1HB SER 20 -1.630 2.260 -5.849 137 HB3 SER 20 2HB SER 20 -3.278 1.610 -5.852 138 HG SER 20 HG SER 20 -3.097 3.456 -7.201 139 H ILE 21 H ILE 21 -3.017 5.204 -3.710 140 HA ILE 21 HA ILE 21 -0.209 5.917 -3.441 141 HB ILE 21 HB ILE 21 -2.821 7.410 -3.237 142 HG12 ILE 21 1HG1 ILE 21 -1.771 8.834 -4.957 143 HG13 ILE 21 2HG1 ILE 21 -0.288 7.884 -4.876 144 HG21 ILE 21 1HG2 ILE 21 -0.114 8.500 -2.375 145 HG22 ILE 21 2HG2 ILE 21 -1.543 9.499 -2.734 146 HG23 ILE 21 3HG2 ILE 21 -1.589 8.373 -1.384 147 HD11 ILE 21 3HD1 ILE 21 -1.415 5.957 -5.860 148 HD12 ILE 21 1HD1 ILE 21 -2.994 6.779 -5.747 149 HD13 ILE 21 2HD1 ILE 21 -1.742 7.384 -6.849 150 H ARG 22 H ARG 22 -2.892 5.498 -1.057 151 HA ARG 22 HA ARG 22 -1.239 6.141 1.238 152 HB2 ARG 22 1HB ARG 22 -3.610 4.230 1.214 153 HB3 ARG 22 2HB ARG 22 -2.903 5.047 2.599 154 HG2 ARG 22 1HG ARG 22 -4.747 6.116 0.503 155 HG3 ARG 22 2HG ARG 22 -4.825 6.237 2.258 156 HD2 ARG 22 1HD ARG 22 -2.914 7.863 2.155 157 HD3 ARG 22 2HD ARG 22 -3.064 7.807 0.374 158 HE ARG 22 HE ARG 22 -5.619 8.379 1.427 159 HH11 ARG 22 2HH1 ARG 22 -2.530 10.019 1.216 160 HH12 ARG 22 1HH1 ARG 22 -3.266 11.598 1.208 161 HH21 ARG 22 2HH2 ARG 22 -6.491 10.424 1.419 162 HH22 ARG 22 1HH2 ARG 22 -5.450 11.812 1.323 163 H LEU 23 H LEU 23 -1.817 3.108 -0.499 164 HA LEU 23 HA LEU 23 -0.287 1.413 1.231 165 HB2 LEU 23 1HB LEU 23 -1.902 0.453 -0.227 166 HB3 LEU 23 2HB LEU 23 -1.248 1.277 -1.639 167 HG LEU 23 HG LEU 23 0.756 -0.092 -1.602 168 HD11 LEU 23 1HD1 LEU 23 0.842 -0.551 0.898 169 HD12 LEU 23 2HD1 LEU 23 1.075 -1.943 -0.136 170 HD13 LEU 23 3HD1 LEU 23 -0.497 -1.686 0.670 171 HD21 LEU 23 3HD2 LEU 23 -1.205 -0.877 -2.857 172 HD22 LEU 23 1HD2 LEU 23 -1.784 -1.752 -1.418 173 HD23 LEU 23 2HD2 LEU 23 -0.271 -2.238 -2.214 174 H ARG 24 H ARG 24 0.628 3.171 -1.816 175 HA ARG 24 HA ARG 24 3.317 2.268 -1.951 176 HB2 ARG 24 1HB ARG 24 1.962 4.859 -2.778 177 HB3 ARG 24 2HB ARG 24 3.682 4.605 -3.053 178 HG2 ARG 24 1HG ARG 24 3.357 2.827 -4.577 179 HG3 ARG 24 2HG ARG 24 1.703 2.540 -4.050 180 HD2 ARG 24 1HD ARG 24 1.623 3.624 -6.196 181 HD3 ARG 24 2HD ARG 24 1.015 4.737 -4.958 182 HE ARG 24 HE ARG 24 3.824 5.179 -5.369 183 HH11 ARG 24 2HH1 ARG 24 0.817 5.749 -7.070 184 HH12 ARG 24 1HH1 ARG 24 1.439 7.155 -7.890 185 HH21 ARG 24 2HH2 ARG 24 4.556 6.981 -6.449 186 HH22 ARG 24 1HH2 ARG 24 3.505 7.821 -7.550 187 H SER 25 H SER 25 2.126 5.280 -0.479 188 HA SER 25 HA SER 25 4.564 6.087 0.713 189 HB2 SER 25 1HB SER 25 1.657 6.626 1.364 190 HB3 SER 25 2HB SER 25 2.998 7.431 2.224 191 HG SER 25 HG SER 25 2.255 8.648 0.413 192 H HIS 26 H HIS 26 2.045 3.898 2.087 193 HA HIS 26 HA HIS 26 3.201 3.573 4.674 194 HB2 HIS 26 1HB HIS 26 1.078 2.650 4.443 195 HB3 HIS 26 2HB HIS 26 1.427 1.899 2.901 196 HD1 HIS 26 1HD HIS 26 1.927 1.235 6.631 197 HD2 HIS 26 2HD HIS 26 2.576 -0.530 2.869 198 HE1 HIS 26 1HE HIS 26 2.479 -1.200 7.093 199 H ILE 27 H ILE 27 3.947 1.818 1.590 200 HA ILE 27 HA ILE 27 5.819 0.050 2.848 201 HB ILE 27 HB ILE 27 5.784 0.935 -0.058 202 HG12 ILE 27 1HG1 ILE 27 4.579 -1.619 1.107 203 HG13 ILE 27 2HG1 ILE 27 3.626 -0.181 0.827 204 HG21 ILE 27 1HG2 ILE 27 7.052 -1.123 -0.488 205 HG22 ILE 27 2HG2 ILE 27 7.924 -0.151 0.687 206 HG23 ILE 27 3HG2 ILE 27 6.976 -1.560 1.227 207 HD11 ILE 27 3HD1 ILE 27 3.334 -1.633 -1.054 208 HD12 ILE 27 1HD1 ILE 27 4.257 -0.210 -1.583 209 HD13 ILE 27 2HD1 ILE 27 5.079 -1.767 -1.308 210 H ARG 28 H ARG 28 6.290 3.288 1.384 211 HA ARG 28 HA ARG 28 9.178 3.240 1.714 212 HB2 ARG 28 1HB ARG 28 7.497 5.750 1.712 213 HB3 ARG 28 2HB ARG 28 9.176 5.551 1.222 214 HG2 ARG 28 1HG ARG 28 6.681 4.643 -0.226 215 HG3 ARG 28 2HG ARG 28 7.789 5.891 -0.741 216 HD2 ARG 28 1HD ARG 28 8.540 2.936 -0.546 217 HD3 ARG 28 2HD ARG 28 7.846 3.695 -1.978 218 HE ARG 28 HE ARG 28 10.259 5.021 -0.933 219 HH11 ARG 28 2HH1 ARG 28 9.135 2.593 -3.257 220 HH12 ARG 28 1HH1 ARG 28 10.589 2.851 -4.236 221 HH21 ARG 28 2HH2 ARG 28 12.041 5.174 -2.356 222 HH22 ARG 28 1HH2 ARG 28 12.027 4.131 -3.784 223 H GLU 29 H GLU 29 6.558 4.518 3.864 224 HA GLU 29 HA GLU 29 8.291 5.618 5.780 225 HB2 GLU 29 1HB GLU 29 6.020 6.340 5.139 226 HB3 GLU 29 2HB GLU 29 5.342 4.800 5.712 227 HG2 GLU 29 1HG GLU 29 6.040 5.265 7.936 228 HG3 GLU 29 2HG GLU 29 6.926 6.709 7.397 229 H VAL 30 H VAL 30 6.592 2.467 5.586 230 HA VAL 30 HA VAL 30 7.534 1.758 8.313 231 HB VAL 30 HB VAL 30 5.394 0.443 6.598 232 HG11 VAL 30 1HG1 VAL 30 6.059 0.146 9.556 233 HG12 VAL 30 2HG1 VAL 30 4.623 -0.526 8.755 234 HG13 VAL 30 3HG1 VAL 30 6.222 -1.105 8.302 235 HG21 VAL 30 3HG2 VAL 30 3.800 1.585 8.167 236 HG22 VAL 30 1HG2 VAL 30 5.166 2.490 8.853 237 HG23 VAL 30 2HG2 VAL 30 4.691 2.722 7.155 238 H HIS 31 H HIS 31 7.829 0.602 4.968 239 HA HIS 31 HA HIS 31 9.472 -1.700 5.969 240 HB2 HIS 31 1HB HIS 31 8.124 -1.352 3.281 241 HB3 HIS 31 2HB HIS 31 9.017 -2.758 3.841 242 HD1 HIS 31 1HD HIS 31 7.765 -3.498 6.535 243 HD2 HIS 31 2HD HIS 31 5.634 -2.038 3.229 244 HE1 HIS 31 1HE HIS 31 5.379 -4.306 6.835 245 H GLY 32 H GLY 32 9.760 1.320 4.316 246 HA2 GLY 32 1HA GLY 32 11.585 2.451 3.558 247 HA3 GLY 32 2HA GLY 32 12.586 1.308 4.464 248 H ALA 33 H ALA 33 10.498 0.450 1.695 249 HA ALA 33 HA ALA 33 12.464 -0.990 0.313 250 HB1 ALA 33 1HB ALA 33 9.894 0.277 -0.727 251 HB2 ALA 33 2HB ALA 33 10.825 -1.004 -1.531 252 HB3 ALA 33 3HB ALA 33 10.049 -1.331 0.029 253 H ALA 34 H ALA 34 14.063 -0.421 -0.817 254 HA ALA 34 HA ALA 34 14.680 2.350 -1.469 255 HB1 ALA 34 1HB ALA 34 16.940 1.491 -1.852 256 HB2 ALA 34 2HB ALA 34 16.278 0.842 -0.342 257 HB3 ALA 34 3HB ALA 34 16.340 -0.180 -1.799 258 H GLN 35 H GLN 35 12.780 0.529 -3.217 259 HA GLN 35 HA GLN 35 13.964 0.432 -5.857 260 HB2 GLN 35 1HB GLN 35 11.074 0.197 -4.922 261 HB3 GLN 35 2HB GLN 35 11.633 -0.089 -6.576 262 HG2 GLN 35 1HG GLN 35 13.144 -1.894 -5.754 263 HG3 GLN 35 2HG GLN 35 12.528 -1.661 -4.117 264 HE21 GLN 35 1HE2 GLN 35 12.264 -4.179 -4.906 265 HE22 GLN 35 2HE2 GLN 35 10.619 -4.527 -5.427 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -21.185 -7.139 -11.849 2 H2 GLY 1 2H GLY 1 -22.777 -7.109 -12.233 3 H3 GLY 1 3H GLY 1 -22.031 -8.538 -11.950 4 HA2 GLY 1 1HA GLY 1 -23.390 -7.929 -10.060 5 HA3 GLY 1 2HA GLY 1 -21.668 -7.989 -9.644 6 H SER 2 H SER 2 -23.947 -6.441 -8.456 7 HA SER 2 HA SER 2 -23.614 -3.659 -9.177 8 HB2 SER 2 1HB SER 2 -24.972 -4.876 -6.748 9 HB3 SER 2 2HB SER 2 -25.219 -3.245 -7.391 10 HG SER 2 HG SER 2 -26.105 -4.157 -9.271 11 H SER 3 H SER 3 -21.791 -5.637 -7.012 12 HA SER 3 HA SER 3 -21.172 -3.769 -4.962 13 HB2 SER 3 1HB SER 3 -19.503 -6.108 -5.957 14 HB3 SER 3 2HB SER 3 -19.350 -5.293 -4.389 15 HG SER 3 HG SER 3 -20.619 -7.207 -4.248 16 H GLY 4 H GLY 4 -19.407 -2.468 -4.543 17 HA2 GLY 4 1HA GLY 4 -18.014 -1.206 -6.771 18 HA3 GLY 4 2HA GLY 4 -17.818 -0.856 -5.058 19 H SER 5 H SER 5 -15.609 -0.762 -6.523 20 HA SER 5 HA SER 5 -14.105 -3.157 -6.856 21 HB2 SER 5 1HB SER 5 -13.100 -0.328 -6.380 22 HB3 SER 5 2HB SER 5 -12.163 -1.677 -7.048 23 HG SER 5 HG SER 5 -13.026 -0.314 -8.693 24 H SER 6 H SER 6 -12.402 -4.070 -5.677 25 HA SER 6 HA SER 6 -12.655 -4.033 -2.782 26 HB2 SER 6 1HB SER 6 -10.844 -5.751 -2.905 27 HB3 SER 6 2HB SER 6 -12.292 -6.129 -3.851 28 HG SER 6 HG SER 6 -10.351 -6.524 -5.027 29 H GLY 7 H GLY 7 -10.895 -3.745 -1.291 30 HA2 GLY 7 1HA GLY 7 -9.398 -1.295 -1.660 31 HA3 GLY 7 2HA GLY 7 -9.321 -2.374 -0.273 32 H TYR 8 H TYR 8 -7.102 -1.082 -1.254 33 HA TYR 8 HA TYR 8 -5.465 -2.952 -2.875 34 HB2 TYR 8 1HB TYR 8 -4.781 -0.262 -1.622 35 HB3 TYR 8 2HB TYR 8 -3.789 -1.171 -2.752 36 HD1 TYR 8 2HD TYR 8 -6.844 0.894 -2.391 37 HD2 TYR 8 1HD TYR 8 -4.307 -1.253 -5.144 38 HE1 TYR 8 2HE TYR 8 -7.983 2.006 -4.301 39 HE2 TYR 8 1HE TYR 8 -5.447 -0.130 -7.058 40 HH TYR 8 HH TYR 8 -8.103 2.230 -6.580 41 H VAL 9 H VAL 9 -3.576 -4.062 -1.975 42 HA VAL 9 HA VAL 9 -3.398 -4.012 1.003 43 HB VAL 9 HB VAL 9 -3.518 -6.538 -0.670 44 HG11 VAL 9 1HG1 VAL 9 -2.071 -6.875 1.235 45 HG12 VAL 9 2HG1 VAL 9 -3.203 -6.064 2.331 46 HG13 VAL 9 3HG1 VAL 9 -3.614 -7.635 1.606 47 HG21 VAL 9 3HG2 VAL 9 -5.773 -5.547 -0.421 48 HG22 VAL 9 1HG2 VAL 9 -5.614 -7.002 0.560 49 HG23 VAL 9 2HG2 VAL 9 -5.520 -5.407 1.333 50 H CYS 10 H CYS 10 -1.512 -4.213 1.924 51 HA CYS 10 HA CYS 10 0.959 -3.739 0.607 52 HB2 CYS 10 1HB CYS 10 0.228 -3.155 2.925 53 HB3 CYS 10 2HB CYS 10 0.363 -4.865 3.359 54 H ALA 11 H ALA 11 2.342 -5.038 -0.402 55 HA ALA 11 HA ALA 11 1.981 -7.953 -0.429 56 HB1 ALA 11 1HB ALA 11 4.014 -6.151 -1.808 57 HB2 ALA 11 2HB ALA 11 3.756 -7.879 -2.131 58 HB3 ALA 11 3HB ALA 11 2.472 -6.708 -2.492 59 H LEU 12 H LEU 12 3.480 -5.846 1.667 60 HA LEU 12 HA LEU 12 5.875 -7.480 2.287 61 HB2 LEU 12 1HB LEU 12 4.979 -4.834 3.407 62 HB3 LEU 12 2HB LEU 12 6.529 -5.580 3.612 63 HG LEU 12 HG LEU 12 6.654 -3.706 2.179 64 HD11 LEU 12 1HD1 LEU 12 8.142 -5.549 1.785 65 HD12 LEU 12 2HD1 LEU 12 7.802 -4.599 0.305 66 HD13 LEU 12 3HD1 LEU 12 7.000 -6.200 0.577 67 HD21 LEU 12 3HD2 LEU 12 4.372 -3.774 1.052 68 HD22 LEU 12 1HD2 LEU 12 5.036 -5.024 -0.019 69 HD23 LEU 12 2HD2 LEU 12 5.754 -3.425 0.006 70 H CYS 13 H CYS 13 3.138 -5.991 3.844 71 HA CYS 13 HA CYS 13 3.184 -7.971 6.091 72 HB2 CYS 13 1HB CYS 13 2.674 -6.415 7.717 73 HB3 CYS 13 2HB CYS 13 4.057 -5.849 6.808 74 H LEU 14 H LEU 14 1.199 -7.176 3.575 75 HA LEU 14 HA LEU 14 -0.922 -7.635 3.013 76 HB2 LEU 14 1HB LEU 14 -0.433 -9.775 5.063 77 HB3 LEU 14 2HB LEU 14 -1.936 -9.672 4.160 78 HG LEU 14 HG LEU 14 -0.753 -9.828 2.019 79 HD11 LEU 14 1HD1 LEU 14 1.492 -8.999 2.440 80 HD12 LEU 14 2HD1 LEU 14 1.610 -10.688 1.986 81 HD13 LEU 14 3HD1 LEU 14 1.761 -10.231 3.699 82 HD21 LEU 14 3HD2 LEU 14 -0.186 -12.206 2.219 83 HD22 LEU 14 1HD2 LEU 14 -1.627 -11.827 3.171 84 HD23 LEU 14 2HD2 LEU 14 -0.062 -12.048 3.986 85 H LYS 15 H LYS 15 -0.631 -5.497 4.920 86 HA LYS 15 HA LYS 15 -3.252 -5.204 6.215 87 HB2 LYS 15 1HB LYS 15 -1.145 -4.180 7.060 88 HB3 LYS 15 2HB LYS 15 -1.038 -3.256 5.543 89 HG2 LYS 15 1HG LYS 15 -3.029 -1.979 6.107 90 HG3 LYS 15 2HG LYS 15 -3.395 -3.048 7.476 91 HD2 LYS 15 1HD LYS 15 -1.387 -2.272 8.658 92 HD3 LYS 15 2HD LYS 15 -0.939 -1.247 7.276 93 HE2 LYS 15 1HE LYS 15 -3.033 0.041 7.523 94 HE3 LYS 15 2HE LYS 15 -3.550 -1.014 8.844 95 HZ1 LYS 15 3HZ LYS 15 -1.161 0.754 8.926 96 HZ2 LYS 15 1HZ LYS 15 -1.641 -0.232 10.140 97 HZ3 LYS 15 2HZ LYS 15 -2.571 1.030 9.697 98 H LYS 16 H LYS 16 -5.006 -4.052 5.456 99 HA LYS 16 HA LYS 16 -5.091 -3.440 2.567 100 HB2 LYS 16 1HB LYS 16 -6.707 -4.983 3.649 101 HB3 LYS 16 2HB LYS 16 -7.359 -3.628 4.576 102 HG2 LYS 16 1HG LYS 16 -8.069 -2.506 2.511 103 HG3 LYS 16 2HG LYS 16 -7.314 -3.757 1.519 104 HD2 LYS 16 1HD LYS 16 -9.584 -4.241 3.493 105 HD3 LYS 16 2HD LYS 16 -9.803 -3.962 1.758 106 HE2 LYS 16 1HE LYS 16 -8.448 -5.971 1.243 107 HE3 LYS 16 2HE LYS 16 -8.211 -6.268 2.969 108 HZ1 LYS 16 3HZ LYS 16 -10.034 -7.604 2.094 109 HZ2 LYS 16 1HZ LYS 16 -10.849 -6.281 1.599 110 HZ3 LYS 16 2HZ LYS 16 -10.618 -6.551 3.194 111 H PHE 17 H PHE 17 -5.783 -1.585 1.656 112 HA PHE 17 HA PHE 17 -5.916 0.928 3.253 113 HB2 PHE 17 1HB PHE 17 -4.173 0.302 0.835 114 HB3 PHE 17 2HB PHE 17 -4.459 1.927 1.435 115 HD1 PHE 17 2HD PHE 17 -3.649 2.649 3.666 116 HD2 PHE 17 1HD PHE 17 -2.662 -1.219 2.026 117 HE1 PHE 17 2HE PHE 17 -1.884 2.370 5.389 118 HE2 PHE 17 1HE PHE 17 -0.909 -1.495 3.760 119 HZ PHE 17 HZ PHE 17 -0.542 0.280 5.454 120 H VAL 18 H VAL 18 -6.937 2.648 2.341 121 HA VAL 18 HA VAL 18 -9.214 2.151 0.653 122 HB VAL 18 HB VAL 18 -9.215 3.676 2.556 123 HG11 VAL 18 1HG1 VAL 18 -8.210 5.901 2.479 124 HG12 VAL 18 2HG1 VAL 18 -6.953 4.670 2.375 125 HG13 VAL 18 3HG1 VAL 18 -7.459 5.552 0.914 126 HG21 VAL 18 3HG2 VAL 18 -9.784 5.267 0.033 127 HG22 VAL 18 1HG2 VAL 18 -10.864 4.029 0.727 128 HG23 VAL 18 2HG2 VAL 18 -10.479 5.499 1.646 129 H SER 19 H SER 19 -5.989 3.271 -0.088 130 HA SER 19 HA SER 19 -6.673 3.639 -2.950 131 HB2 SER 19 1HB SER 19 -6.981 5.855 -2.082 132 HB3 SER 19 2HB SER 19 -5.474 5.774 -1.163 133 HG SER 19 HG SER 19 -5.447 6.930 -3.261 134 H SER 20 H SER 20 -4.918 3.456 -4.358 135 HA SER 20 HA SER 20 -2.711 1.791 -3.594 136 HB2 SER 20 1HB SER 20 -1.874 2.315 -5.878 137 HB3 SER 20 2HB SER 20 -3.549 1.744 -5.848 138 HG SER 20 HG SER 20 -3.342 3.565 -7.200 139 H ILE 21 H ILE 21 -3.091 5.331 -3.770 140 HA ILE 21 HA ILE 21 -0.274 5.962 -3.543 141 HB ILE 21 HB ILE 21 -2.837 7.496 -3.056 142 HG12 ILE 21 1HG1 ILE 21 -1.946 8.961 -4.831 143 HG13 ILE 21 2HG1 ILE 21 -0.481 7.988 -4.942 144 HG21 ILE 21 1HG2 ILE 21 -0.021 8.487 -2.457 145 HG22 ILE 21 2HG2 ILE 21 -1.446 9.538 -2.631 146 HG23 ILE 21 3HG2 ILE 21 -1.383 8.366 -1.319 147 HD11 ILE 21 3HD1 ILE 21 -2.147 7.598 -6.771 148 HD12 ILE 21 1HD1 ILE 21 -1.731 6.126 -5.887 149 HD13 ILE 21 2HD1 ILE 21 -3.281 6.952 -5.568 150 H ARG 22 H ARG 22 -2.837 5.490 -1.108 151 HA ARG 22 HA ARG 22 -1.208 6.067 1.220 152 HB2 ARG 22 1HB ARG 22 -3.685 4.312 0.931 153 HB3 ARG 22 2HB ARG 22 -3.006 4.857 2.455 154 HG2 ARG 22 1HG ARG 22 -4.115 6.746 0.318 155 HG3 ARG 22 2HG ARG 22 -5.026 6.099 1.674 156 HD2 ARG 22 1HD ARG 22 -4.425 8.208 2.395 157 HD3 ARG 22 2HD ARG 22 -3.294 7.126 3.216 158 HE ARG 22 HE ARG 22 -2.446 8.416 0.668 159 HH11 ARG 22 2HH1 ARG 22 -2.152 8.486 4.159 160 HH12 ARG 22 1HH1 ARG 22 -0.725 9.483 4.110 161 HH21 ARG 22 2HH2 ARG 22 -0.611 9.691 0.684 162 HH22 ARG 22 1HH2 ARG 22 0.106 10.145 2.198 163 H LEU 23 H LEU 23 -1.851 3.074 -0.568 164 HA LEU 23 HA LEU 23 -0.271 1.330 1.082 165 HB2 LEU 23 1HB LEU 23 -1.891 0.371 -0.346 166 HB3 LEU 23 2HB LEU 23 -1.344 1.281 -1.748 167 HG LEU 23 HG LEU 23 0.706 -0.032 -1.895 168 HD11 LEU 23 1HD1 LEU 23 1.008 -0.628 0.521 169 HD12 LEU 23 2HD1 LEU 23 1.053 -2.019 -0.555 170 HD13 LEU 23 3HD1 LEU 23 -0.411 -1.680 0.411 171 HD21 LEU 23 3HD2 LEU 23 -1.769 -1.777 -1.658 172 HD22 LEU 23 1HD2 LEU 23 -0.300 -2.154 -2.578 173 HD23 LEU 23 2HD2 LEU 23 -1.318 -0.793 -3.074 174 H ARG 24 H ARG 24 0.553 3.106 -1.979 175 HA ARG 24 HA ARG 24 3.200 2.117 -2.218 176 HB2 ARG 24 1HB ARG 24 1.868 4.735 -3.038 177 HB3 ARG 24 2HB ARG 24 3.546 4.408 -3.455 178 HG2 ARG 24 1HG ARG 24 3.023 2.566 -4.854 179 HG3 ARG 24 2HG ARG 24 1.386 2.408 -4.212 180 HD2 ARG 24 1HD ARG 24 0.822 4.652 -5.161 181 HD3 ARG 24 2HD ARG 24 2.439 4.723 -5.891 182 HE ARG 24 HE ARG 24 1.267 2.293 -6.720 183 HH11 ARG 24 2HH1 ARG 24 0.642 5.699 -7.248 184 HH12 ARG 24 1HH1 ARG 24 -0.164 5.409 -8.766 185 HH21 ARG 24 2HH2 ARG 24 0.248 1.998 -8.675 186 HH22 ARG 24 1HH2 ARG 24 -0.367 3.368 -9.551 187 H SER 25 H SER 25 2.116 5.065 -0.556 188 HA SER 25 HA SER 25 4.767 5.768 0.375 189 HB2 SER 25 1HB SER 25 1.961 6.700 1.021 190 HB3 SER 25 2HB SER 25 3.408 7.397 1.802 191 HG SER 25 HG SER 25 2.792 8.563 -0.083 192 H HIS 26 H HIS 26 2.124 3.860 1.886 193 HA HIS 26 HA HIS 26 3.175 3.660 4.522 194 HB2 HIS 26 1HB HIS 26 1.048 2.721 4.184 195 HB3 HIS 26 2HB HIS 26 1.530 1.844 2.751 196 HD1 HIS 26 1HD HIS 26 1.793 1.524 6.562 197 HD2 HIS 26 2HD HIS 26 2.544 -0.597 3.006 198 HE1 HIS 26 1HE HIS 26 2.182 -0.886 7.262 199 H ILE 27 H ILE 27 4.062 1.807 1.567 200 HA ILE 27 HA ILE 27 5.822 0.032 2.921 201 HB ILE 27 HB ILE 27 6.067 0.870 0.012 202 HG12 ILE 27 1HG1 ILE 27 4.530 -1.530 1.061 203 HG13 ILE 27 2HG1 ILE 27 3.726 -0.017 0.768 204 HG21 ILE 27 1HG2 ILE 27 7.156 -1.220 -0.320 205 HG22 ILE 27 2HG2 ILE 27 8.001 -0.347 0.956 206 HG23 ILE 27 3HG2 ILE 27 6.896 -1.665 1.384 207 HD11 ILE 27 3HD1 ILE 27 4.475 0.001 -1.585 208 HD12 ILE 27 1HD1 ILE 27 5.202 -1.602 -1.350 209 HD13 ILE 27 2HD1 ILE 27 3.450 -1.397 -1.179 210 H ARG 28 H ARG 28 6.415 3.287 1.661 211 HA ARG 28 HA ARG 28 9.317 3.091 1.990 212 HB2 ARG 28 1HB ARG 28 7.834 5.702 1.833 213 HB3 ARG 28 2HB ARG 28 9.431 5.287 1.220 214 HG2 ARG 28 1HG ARG 28 6.726 4.504 0.115 215 HG3 ARG 28 2HG ARG 28 7.867 5.607 -0.634 216 HD2 ARG 28 1HD ARG 28 9.295 3.841 -1.314 217 HD3 ARG 28 2HD ARG 28 8.532 2.665 -0.218 218 HE ARG 28 HE ARG 28 6.416 3.284 -1.695 219 HH11 ARG 28 2HH1 ARG 28 9.618 2.254 -2.764 220 HH12 ARG 28 1HH1 ARG 28 8.982 1.607 -4.254 221 HH21 ARG 28 2HH2 ARG 28 5.720 2.449 -3.608 222 HH22 ARG 28 1HH2 ARG 28 6.840 1.687 -4.700 223 H GLU 29 H GLU 29 6.666 4.356 3.944 224 HA GLU 29 HA GLU 29 8.386 5.449 6.027 225 HB2 GLU 29 1HB GLU 29 5.407 4.844 5.887 226 HB3 GLU 29 2HB GLU 29 6.180 5.627 7.263 227 HG2 GLU 29 1HG GLU 29 6.203 6.738 4.420 228 HG3 GLU 29 2HG GLU 29 5.067 7.203 5.678 229 H VAL 30 H VAL 30 6.657 2.354 5.635 230 HA VAL 30 HA VAL 30 7.473 1.540 8.383 231 HB VAL 30 HB VAL 30 5.371 0.335 6.549 232 HG11 VAL 30 1HG1 VAL 30 4.512 -0.700 8.642 233 HG12 VAL 30 2HG1 VAL 30 6.117 -1.292 8.227 234 HG13 VAL 30 3HG1 VAL 30 5.929 -0.083 9.517 235 HG21 VAL 30 3HG2 VAL 30 3.759 1.455 8.124 236 HG22 VAL 30 1HG2 VAL 30 5.127 2.304 8.868 237 HG23 VAL 30 2HG2 VAL 30 4.697 2.603 7.170 238 H HIS 31 H HIS 31 7.874 0.487 5.019 239 HA HIS 31 HA HIS 31 9.477 -1.856 5.985 240 HB2 HIS 31 1HB HIS 31 8.044 -1.531 3.347 241 HB3 HIS 31 2HB HIS 31 8.869 -2.971 3.932 242 HD1 HIS 31 1HD HIS 31 7.677 -3.667 6.600 243 HD2 HIS 31 2HD HIS 31 5.474 -1.890 3.498 244 HE1 HIS 31 1HE HIS 31 5.245 -4.220 7.066 245 H GLY 32 H GLY 32 9.822 1.163 4.472 246 HA2 GLY 32 1HA GLY 32 11.723 2.279 3.954 247 HA3 GLY 32 2HA GLY 32 12.669 0.864 4.439 248 H ALA 33 H ALA 33 10.339 0.661 1.781 249 HA ALA 33 HA ALA 33 12.441 -0.094 -0.077 250 HB1 ALA 33 1HB ALA 33 9.498 0.317 -0.599 251 HB2 ALA 33 2HB ALA 33 10.655 -0.602 -1.583 252 HB3 ALA 33 3HB ALA 33 10.228 -1.190 0.042 253 H ALA 34 H ALA 34 13.178 2.271 0.547 254 HA ALA 34 HA ALA 34 12.806 3.997 -1.865 255 HB1 ALA 34 1HB ALA 34 12.668 5.987 -0.420 256 HB2 ALA 34 2HB ALA 34 11.367 4.844 -0.052 257 HB3 ALA 34 3HB ALA 34 12.778 4.960 1.028 258 H GLN 35 H GLN 35 15.007 2.162 -0.547 259 HA GLN 35 HA GLN 35 17.302 3.835 -1.320 260 HB2 GLN 35 1HB GLN 35 18.574 3.311 0.691 261 HB3 GLN 35 2HB GLN 35 17.135 4.251 1.073 262 HG2 GLN 35 1HG GLN 35 15.985 2.172 1.841 263 HG3 GLN 35 2HG GLN 35 17.431 1.234 1.456 264 HE21 GLN 35 1HE2 GLN 35 16.208 3.883 3.586 265 HE22 GLN 35 2HE2 GLN 35 17.421 3.610 4.830 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -19.999 -5.027 -4.278 2 H2 GLY 1 2H GLY 1 -18.874 -6.214 -4.170 3 H3 GLY 1 3H GLY 1 -20.363 -6.549 -4.762 4 HA2 GLY 1 1HA GLY 1 -19.994 -5.154 -6.683 5 HA3 GLY 1 2HA GLY 1 -18.390 -4.762 -6.035 6 H SER 2 H SER 2 -19.351 -6.187 -8.557 7 HA SER 2 HA SER 2 -18.892 -8.951 -8.427 8 HB2 SER 2 1HB SER 2 -18.508 -7.126 -10.826 9 HB3 SER 2 2HB SER 2 -18.838 -8.868 -10.857 10 HG SER 2 HG SER 2 -20.745 -7.626 -11.169 11 H SER 3 H SER 3 -16.447 -6.510 -8.363 12 HA SER 3 HA SER 3 -14.221 -8.022 -9.430 13 HB2 SER 3 1HB SER 3 -12.893 -6.284 -8.219 14 HB3 SER 3 2HB SER 3 -14.130 -5.612 -9.297 15 HG SER 3 HG SER 3 -14.085 -4.622 -7.189 16 H GLY 4 H GLY 4 -15.924 -8.121 -6.368 17 HA2 GLY 4 1HA GLY 4 -15.682 -9.502 -4.550 18 HA3 GLY 4 2HA GLY 4 -14.399 -10.370 -5.397 19 H SER 5 H SER 5 -13.791 -6.979 -5.073 20 HA SER 5 HA SER 5 -12.055 -7.381 -2.674 21 HB2 SER 5 1HB SER 5 -10.314 -6.064 -3.759 22 HB3 SER 5 2HB SER 5 -10.692 -7.527 -4.682 23 HG SER 5 HG SER 5 -10.509 -5.674 -6.028 24 H SER 6 H SER 6 -11.469 -5.511 -1.500 25 HA SER 6 HA SER 6 -13.363 -3.206 -1.687 26 HB2 SER 6 1HB SER 6 -13.645 -3.361 0.756 27 HB3 SER 6 2HB SER 6 -14.218 -4.799 -0.099 28 HG SER 6 HG SER 6 -12.998 -5.328 1.745 29 H GLY 7 H GLY 7 -10.148 -3.811 -1.865 30 HA2 GLY 7 1HA GLY 7 -9.313 -1.158 -1.592 31 HA3 GLY 7 2HA GLY 7 -8.976 -1.918 -0.037 32 H TYR 8 H TYR 8 -6.854 -1.009 -1.140 33 HA TYR 8 HA TYR 8 -5.446 -3.037 -2.812 34 HB2 TYR 8 1HB TYR 8 -4.546 -0.325 -1.765 35 HB3 TYR 8 2HB TYR 8 -3.631 -1.370 -2.836 36 HD1 TYR 8 2HD TYR 8 -6.657 0.795 -2.597 37 HD2 TYR 8 1HD TYR 8 -4.085 -1.488 -5.205 38 HE1 TYR 8 2HE TYR 8 -7.740 1.841 -4.577 39 HE2 TYR 8 1HE TYR 8 -5.164 -0.430 -7.187 40 HH TYR 8 HH TYR 8 -7.805 1.975 -6.866 41 H VAL 9 H VAL 9 -3.632 -4.233 -1.976 42 HA VAL 9 HA VAL 9 -3.352 -4.126 0.996 43 HB VAL 9 HB VAL 9 -3.496 -6.664 -0.645 44 HG11 VAL 9 1HG1 VAL 9 -3.625 -7.715 1.645 45 HG12 VAL 9 2HG1 VAL 9 -2.074 -6.945 1.317 46 HG13 VAL 9 3HG1 VAL 9 -3.257 -6.128 2.357 47 HG21 VAL 9 3HG2 VAL 9 -5.622 -7.062 0.574 48 HG22 VAL 9 1HG2 VAL 9 -5.514 -5.437 1.287 49 HG23 VAL 9 2HG2 VAL 9 -5.737 -5.642 -0.465 50 H CYS 10 H CYS 10 -1.476 -4.296 1.898 51 HA CYS 10 HA CYS 10 0.957 -3.818 0.509 52 HB2 CYS 10 1HB CYS 10 0.075 -3.249 2.891 53 HB3 CYS 10 2HB CYS 10 0.600 -4.866 3.341 54 H ALA 11 H ALA 11 1.995 -5.270 -0.742 55 HA ALA 11 HA ALA 11 1.873 -8.117 -0.448 56 HB1 ALA 11 1HB ALA 11 3.693 -8.072 -2.125 57 HB2 ALA 11 2HB ALA 11 2.390 -6.945 -2.551 58 HB3 ALA 11 3HB ALA 11 3.904 -6.326 -1.856 59 H LEU 12 H LEU 12 3.443 -5.875 1.492 60 HA LEU 12 HA LEU 12 5.824 -7.427 2.239 61 HB2 LEU 12 1HB LEU 12 4.692 -4.833 3.295 62 HB3 LEU 12 2HB LEU 12 6.260 -5.482 3.655 63 HG LEU 12 HG LEU 12 6.372 -3.618 2.176 64 HD11 LEU 12 1HD1 LEU 12 7.113 -6.132 0.747 65 HD12 LEU 12 2HD1 LEU 12 8.029 -5.356 2.064 66 HD13 LEU 12 3HD1 LEU 12 7.823 -4.486 0.512 67 HD21 LEU 12 3HD2 LEU 12 5.712 -3.495 -0.095 68 HD22 LEU 12 1HD2 LEU 12 4.252 -3.891 0.816 69 HD23 LEU 12 2HD2 LEU 12 5.108 -5.144 -0.115 70 H CYS 13 H CYS 13 3.020 -6.061 3.798 71 HA CYS 13 HA CYS 13 3.177 -7.982 6.087 72 HB2 CYS 13 1HB CYS 13 2.552 -6.318 7.616 73 HB3 CYS 13 2HB CYS 13 3.939 -5.790 6.681 74 H LEU 14 H LEU 14 1.110 -7.376 3.576 75 HA LEU 14 HA LEU 14 -0.979 -7.854 3.043 76 HB2 LEU 14 1HB LEU 14 -0.951 -9.802 5.346 77 HB3 LEU 14 2HB LEU 14 -2.037 -9.821 3.961 78 HG LEU 14 HG LEU 14 0.980 -10.262 3.866 79 HD11 LEU 14 1HD1 LEU 14 -1.360 -12.143 3.361 80 HD12 LEU 14 2HD1 LEU 14 -0.321 -12.133 4.806 81 HD13 LEU 14 3HD1 LEU 14 0.369 -12.544 3.227 82 HD21 LEU 14 3HD2 LEU 14 0.585 -10.892 1.481 83 HD22 LEU 14 1HD2 LEU 14 0.303 -9.183 1.780 84 HD23 LEU 14 2HD2 LEU 14 -1.082 -10.279 1.616 85 H LYS 15 H LYS 15 -0.654 -5.614 4.835 86 HA LYS 15 HA LYS 15 -3.273 -5.284 6.152 87 HB2 LYS 15 1HB LYS 15 -1.131 -4.373 7.035 88 HB3 LYS 15 2HB LYS 15 -1.002 -3.373 5.574 89 HG2 LYS 15 1HG LYS 15 -2.957 -2.080 6.196 90 HG3 LYS 15 2HG LYS 15 -3.370 -3.198 7.499 91 HD2 LYS 15 1HD LYS 15 -0.853 -1.476 7.446 92 HD3 LYS 15 2HD LYS 15 -2.366 -1.034 8.254 93 HE2 LYS 15 1HE LYS 15 -2.211 -3.151 9.611 94 HE3 LYS 15 2HE LYS 15 -0.624 -3.458 8.894 95 HZ1 LYS 15 3HZ LYS 15 0.142 -1.352 9.872 96 HZ2 LYS 15 1HZ LYS 15 -0.432 -2.338 11.038 97 HZ3 LYS 15 2HZ LYS 15 -1.330 -1.077 10.530 98 H LYS 16 H LYS 16 -4.979 -4.066 5.405 99 HA LYS 16 HA LYS 16 -5.003 -3.398 2.523 100 HB2 LYS 16 1HB LYS 16 -6.660 -4.964 3.477 101 HB3 LYS 16 2HB LYS 16 -7.312 -3.660 4.474 102 HG2 LYS 16 1HG LYS 16 -7.981 -2.405 2.484 103 HG3 LYS 16 2HG LYS 16 -7.215 -3.586 1.416 104 HD2 LYS 16 1HD LYS 16 -9.494 -4.254 3.329 105 HD3 LYS 16 2HD LYS 16 -9.740 -3.750 1.653 106 HE2 LYS 16 1HE LYS 16 -8.455 -5.665 0.822 107 HE3 LYS 16 2HE LYS 16 -8.087 -6.180 2.475 108 HZ1 LYS 16 3HZ LYS 16 -10.433 -6.578 2.844 109 HZ2 LYS 16 1HZ LYS 16 -9.989 -7.393 1.503 110 HZ3 LYS 16 2HZ LYS 16 -10.845 -5.998 1.377 111 H PHE 17 H PHE 17 -5.615 -1.518 1.643 112 HA PHE 17 HA PHE 17 -5.837 0.948 3.305 113 HB2 PHE 17 1HB PHE 17 -4.033 0.410 0.914 114 HB3 PHE 17 2HB PHE 17 -4.330 2.010 1.574 115 HD1 PHE 17 1HD PHE 17 -2.633 -1.216 2.146 116 HD2 PHE 17 2HD PHE 17 -3.474 2.691 3.775 117 HE1 PHE 17 1HE PHE 17 -0.917 -1.570 3.904 118 HE2 PHE 17 2HE PHE 17 -1.755 2.329 5.530 119 HZ PHE 17 HZ PHE 17 -0.509 0.181 5.617 120 H VAL 18 H VAL 18 -6.796 2.711 2.360 121 HA VAL 18 HA VAL 18 -9.095 2.226 0.730 122 HB VAL 18 HB VAL 18 -8.968 3.820 2.587 123 HG11 VAL 18 1HG1 VAL 18 -7.344 5.637 0.763 124 HG12 VAL 18 2HG1 VAL 18 -7.937 6.009 2.389 125 HG13 VAL 18 3HG1 VAL 18 -6.689 4.779 2.182 126 HG21 VAL 18 3HG2 VAL 18 -10.719 4.127 0.851 127 HG22 VAL 18 1HG2 VAL 18 -10.246 5.631 1.666 128 HG23 VAL 18 2HG2 VAL 18 -9.660 5.302 0.030 129 H SER 19 H SER 19 -5.872 3.234 -0.162 130 HA SER 19 HA SER 19 -6.598 3.425 -3.015 131 HB2 SER 19 1HB SER 19 -6.978 5.696 -2.308 132 HB3 SER 19 2HB SER 19 -5.450 5.734 -1.417 133 HG SER 19 HG SER 19 -5.492 6.733 -3.588 134 H SER 20 H SER 20 -4.784 3.299 -4.425 135 HA SER 20 HA SER 20 -2.566 1.692 -3.563 136 HB2 SER 20 1HB SER 20 -1.683 2.168 -5.838 137 HB3 SER 20 2HB SER 20 -3.354 1.580 -5.838 138 HG SER 20 HG SER 20 -3.112 3.376 -7.229 139 H ILE 21 H ILE 21 -2.974 5.219 -3.944 140 HA ILE 21 HA ILE 21 -0.197 5.928 -3.564 141 HB ILE 21 HB ILE 21 -2.839 7.375 -3.329 142 HG12 ILE 21 1HG1 ILE 21 -1.835 8.846 -5.035 143 HG13 ILE 21 2HG1 ILE 21 -0.321 7.947 -4.962 144 HG21 ILE 21 1HG2 ILE 21 -0.165 8.519 -2.435 145 HG22 ILE 21 2HG2 ILE 21 -1.608 9.493 -2.802 146 HG23 ILE 21 3HG2 ILE 21 -1.646 8.353 -1.460 147 HD11 ILE 21 3HD1 ILE 21 -1.381 5.991 -5.967 148 HD12 ILE 21 1HD1 ILE 21 -2.986 6.763 -5.857 149 HD13 ILE 21 2HD1 ILE 21 -1.746 7.417 -6.946 150 H ARG 22 H ARG 22 -2.877 5.464 -1.290 151 HA ARG 22 HA ARG 22 -1.436 6.231 1.102 152 HB2 ARG 22 1HB ARG 22 -3.913 4.489 0.723 153 HB3 ARG 22 2HB ARG 22 -3.368 5.133 2.266 154 HG2 ARG 22 1HG ARG 22 -4.057 6.952 -0.094 155 HG3 ARG 22 2HG ARG 22 -5.258 6.388 1.052 156 HD2 ARG 22 1HD ARG 22 -4.099 7.442 2.902 157 HD3 ARG 22 2HD ARG 22 -2.782 7.928 1.840 158 HE ARG 22 HE ARG 22 -4.101 9.607 0.880 159 HH11 ARG 22 2HH1 ARG 22 -6.073 7.862 3.198 160 HH12 ARG 22 1HH1 ARG 22 -7.326 9.072 3.168 161 HH21 ARG 22 2HH2 ARG 22 -5.733 11.100 0.899 162 HH22 ARG 22 1HH2 ARG 22 -7.131 10.852 1.902 163 H LEU 23 H LEU 23 -1.897 3.129 -0.548 164 HA LEU 23 HA LEU 23 -0.382 1.555 1.333 165 HB2 LEU 23 1HB LEU 23 -1.926 0.460 -0.111 166 HB3 LEU 23 2HB LEU 23 -1.257 1.222 -1.552 167 HG LEU 23 HG LEU 23 0.797 -0.065 -1.360 168 HD11 LEU 23 1HD1 LEU 23 -0.474 -1.610 0.935 169 HD12 LEU 23 2HD1 LEU 23 0.762 -0.369 1.185 170 HD13 LEU 23 3HD1 LEU 23 1.160 -1.785 0.242 171 HD21 LEU 23 3HD2 LEU 23 -1.075 -0.989 -2.645 172 HD22 LEU 23 1HD2 LEU 23 -1.697 -1.795 -1.186 173 HD23 LEU 23 2HD2 LEU 23 -0.134 -2.281 -1.879 174 H ARG 24 H ARG 24 0.559 3.169 -1.785 175 HA ARG 24 HA ARG 24 3.218 2.223 -1.922 176 HB2 ARG 24 1HB ARG 24 1.887 4.796 -2.836 177 HB3 ARG 24 2HB ARG 24 3.601 4.524 -3.123 178 HG2 ARG 24 1HG ARG 24 3.245 2.618 -4.498 179 HG3 ARG 24 2HG ARG 24 1.559 2.452 -4.007 180 HD2 ARG 24 1HD ARG 24 1.042 4.644 -5.088 181 HD3 ARG 24 2HD ARG 24 2.728 4.740 -5.646 182 HE ARG 24 HE ARG 24 1.693 2.253 -6.510 183 HH11 ARG 24 2HH1 ARG 24 1.103 5.633 -7.227 184 HH12 ARG 24 1HH1 ARG 24 0.491 5.282 -8.821 185 HH21 ARG 24 2HH2 ARG 24 0.919 1.880 -8.562 186 HH22 ARG 24 1HH2 ARG 24 0.401 3.212 -9.552 187 H SER 25 H SER 25 2.140 5.292 -0.466 188 HA SER 25 HA SER 25 4.677 6.039 0.588 189 HB2 SER 25 1HB SER 25 1.815 6.767 1.248 190 HB3 SER 25 2HB SER 25 3.208 7.538 2.062 191 HG SER 25 HG SER 25 2.512 8.709 0.202 192 H HIS 26 H HIS 26 2.136 3.966 2.048 193 HA HIS 26 HA HIS 26 3.315 3.760 4.663 194 HB2 HIS 26 1HB HIS 26 1.137 2.956 4.531 195 HB3 HIS 26 2HB HIS 26 1.401 2.092 3.036 196 HD1 HIS 26 1HD HIS 26 1.818 1.603 6.786 197 HD2 HIS 26 2HD HIS 26 2.500 -0.376 3.138 198 HE1 HIS 26 1HE HIS 26 2.224 -0.832 7.384 199 H ILE 27 H ILE 27 3.960 1.906 1.616 200 HA ILE 27 HA ILE 27 5.758 0.091 2.904 201 HB ILE 27 HB ILE 27 5.907 0.880 -0.019 202 HG12 ILE 27 1HG1 ILE 27 4.394 -1.515 1.086 203 HG13 ILE 27 2HG1 ILE 27 3.581 0.008 0.805 204 HG21 ILE 27 1HG2 ILE 27 7.862 -0.323 0.846 205 HG22 ILE 27 2HG2 ILE 27 6.785 -1.607 1.433 206 HG23 ILE 27 3HG2 ILE 27 6.959 -1.294 -0.305 207 HD11 ILE 27 3HD1 ILE 27 3.265 -1.369 -1.139 208 HD12 ILE 27 1HD1 ILE 27 4.317 0.005 -1.565 209 HD13 ILE 27 2HD1 ILE 27 5.012 -1.610 -1.322 210 H ARG 28 H ARG 28 6.364 3.260 1.383 211 HA ARG 28 HA ARG 28 9.237 3.151 1.684 212 HB2 ARG 28 1HB ARG 28 7.553 5.671 1.752 213 HB3 ARG 28 2HB ARG 28 9.233 5.503 1.248 214 HG2 ARG 28 1HG ARG 28 6.767 4.484 -0.209 215 HG3 ARG 28 2HG ARG 28 7.743 5.859 -0.679 216 HD2 ARG 28 1HD ARG 28 8.773 2.991 -0.562 217 HD3 ARG 28 2HD ARG 28 8.078 3.712 -1.998 218 HE ARG 28 HE ARG 28 10.719 4.334 -0.799 219 HH11 ARG 28 2HH1 ARG 28 8.384 5.408 -3.201 220 HH12 ARG 28 1HH1 ARG 28 9.562 6.425 -3.987 221 HH21 ARG 28 2HH2 ARG 28 12.114 5.621 -1.821 222 HH22 ARG 28 1HH2 ARG 28 11.638 6.539 -3.222 223 H GLU 29 H GLU 29 6.676 4.466 3.856 224 HA GLU 29 HA GLU 29 8.469 5.558 5.771 225 HB2 GLU 29 1HB GLU 29 6.281 6.424 5.184 226 HB3 GLU 29 2HB GLU 29 5.521 4.873 5.522 227 HG2 GLU 29 1HG GLU 29 4.980 6.402 7.172 228 HG3 GLU 29 2HG GLU 29 5.911 5.072 7.856 229 H VAL 30 H VAL 30 6.627 2.482 5.616 230 HA VAL 30 HA VAL 30 7.556 1.762 8.344 231 HB VAL 30 HB VAL 30 5.354 0.515 6.657 232 HG11 VAL 30 1HG1 VAL 30 4.562 -0.404 8.829 233 HG12 VAL 30 2HG1 VAL 30 6.136 -1.048 8.371 234 HG13 VAL 30 3HG1 VAL 30 6.028 0.221 9.613 235 HG21 VAL 30 3HG2 VAL 30 4.735 2.819 7.191 236 HG22 VAL 30 1HG2 VAL 30 3.820 1.733 8.236 237 HG23 VAL 30 2HG2 VAL 30 5.228 2.597 8.887 238 H HIS 31 H HIS 31 7.783 0.565 5.014 239 HA HIS 31 HA HIS 31 9.337 -1.791 6.021 240 HB2 HIS 31 1HB HIS 31 7.951 -1.417 3.358 241 HB3 HIS 31 2HB HIS 31 8.784 -2.863 3.912 242 HD1 HIS 31 1HD HIS 31 7.597 -3.617 6.575 243 HD2 HIS 31 2HD HIS 31 5.388 -1.808 3.501 244 HE1 HIS 31 1HE HIS 31 5.168 -4.196 7.025 245 H GLY 32 H GLY 32 9.766 1.213 4.347 246 HA2 GLY 32 1HA GLY 32 11.661 2.229 3.571 247 HA3 GLY 32 2HA GLY 32 12.589 1.029 4.480 248 H ALA 33 H ALA 33 10.429 0.240 1.780 249 HA ALA 33 HA ALA 33 12.234 -1.544 0.609 250 HB1 ALA 33 1HB ALA 33 9.807 -0.140 -0.587 251 HB2 ALA 33 2HB ALA 33 10.561 -1.618 -1.229 252 HB3 ALA 33 3HB ALA 33 9.804 -1.647 0.372 253 H ALA 34 H ALA 34 12.016 1.897 -0.033 254 HA ALA 34 HA ALA 34 14.457 1.837 -1.572 255 HB1 ALA 34 1HB ALA 34 13.528 3.142 -3.489 256 HB2 ALA 34 2HB ALA 34 12.868 1.498 -3.417 257 HB3 ALA 34 3HB ALA 34 11.885 2.870 -2.867 258 H GLN 35 H GLN 35 15.599 3.558 -0.990 259 HA GLN 35 HA GLN 35 14.680 5.495 0.919 260 HB2 GLN 35 1HB GLN 35 16.906 6.426 0.800 261 HB3 GLN 35 2HB GLN 35 16.974 4.669 0.893 262 HG2 GLN 35 1HG GLN 35 17.429 4.560 -1.559 263 HG3 GLN 35 2HG GLN 35 17.328 6.320 -1.657 264 HE21 GLN 35 1HE2 GLN 35 19.240 3.636 -0.160 265 HE22 GLN 35 2HE2 GLN 35 20.702 4.603 -0.009 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -19.146 -4.279 -2.210 2 H2 GLY 1 2H GLY 1 -20.057 -4.824 -0.958 3 H3 GLY 1 3H GLY 1 -19.303 -5.888 -1.948 4 HA2 GLY 1 1HA GLY 1 -17.967 -4.008 -0.111 5 HA3 GLY 1 2HA GLY 1 -18.111 -5.761 0.127 6 H SER 2 H SER 2 -15.850 -3.620 -0.545 7 HA SER 2 HA SER 2 -14.030 -3.338 -1.867 8 HB2 SER 2 1HB SER 2 -13.995 -6.364 -2.074 9 HB3 SER 2 2HB SER 2 -12.639 -5.255 -2.354 10 HG SER 2 HG SER 2 -14.075 -5.643 0.080 11 H SER 3 H SER 3 -16.404 -2.930 -3.187 12 HA SER 3 HA SER 3 -16.734 -4.380 -5.604 13 HB2 SER 3 1HB SER 3 -17.801 -1.621 -4.927 14 HB3 SER 3 2HB SER 3 -18.464 -2.773 -6.101 15 HG SER 3 HG SER 3 -19.607 -2.863 -4.143 16 H GLY 4 H GLY 4 -16.389 -3.859 -7.765 17 HA2 GLY 4 1HA GLY 4 -15.283 -2.994 -9.606 18 HA3 GLY 4 2HA GLY 4 -15.205 -1.453 -8.758 19 H SER 5 H SER 5 -13.121 -0.855 -9.180 20 HA SER 5 HA SER 5 -10.841 -2.670 -8.760 21 HB2 SER 5 1HB SER 5 -9.531 -0.757 -9.640 22 HB3 SER 5 2HB SER 5 -10.824 -1.294 -10.726 23 HG SER 5 HG SER 5 -10.765 0.998 -10.511 24 H SER 6 H SER 6 -12.628 -0.737 -6.667 25 HA SER 6 HA SER 6 -10.580 0.645 -5.237 26 HB2 SER 6 1HB SER 6 -13.371 -0.156 -4.342 27 HB3 SER 6 2HB SER 6 -12.321 1.028 -3.540 28 HG SER 6 HG SER 6 -13.831 2.010 -4.988 29 H GLY 7 H GLY 7 -9.659 0.328 -3.241 30 HA2 GLY 7 1HA GLY 7 -9.053 -0.761 -1.271 31 HA3 GLY 7 2HA GLY 7 -9.959 -2.192 -1.734 32 H TYR 8 H TYR 8 -7.017 -1.280 -0.998 33 HA TYR 8 HA TYR 8 -5.545 -3.113 -2.860 34 HB2 TYR 8 1HB TYR 8 -4.613 -0.444 -1.723 35 HB3 TYR 8 2HB TYR 8 -3.661 -1.529 -2.726 36 HD1 TYR 8 2HD TYR 8 -6.676 0.672 -2.702 37 HD2 TYR 8 1HD TYR 8 -3.838 -1.487 -5.129 38 HE1 TYR 8 2HE TYR 8 -7.624 1.727 -4.732 39 HE2 TYR 8 1HE TYR 8 -4.755 -0.383 -7.169 40 HH TYR 8 HH TYR 8 -7.478 1.944 -7.022 41 H VAL 9 H VAL 9 -3.634 -4.156 -1.914 42 HA VAL 9 HA VAL 9 -3.525 -4.112 1.057 43 HB VAL 9 HB VAL 9 -3.538 -6.658 -0.596 44 HG11 VAL 9 1HG1 VAL 9 -2.182 -6.852 1.445 45 HG12 VAL 9 2HG1 VAL 9 -3.485 -6.143 2.415 46 HG13 VAL 9 3HG1 VAL 9 -3.696 -7.737 1.662 47 HG21 VAL 9 3HG2 VAL 9 -5.676 -5.569 1.285 48 HG22 VAL 9 1HG2 VAL 9 -5.834 -5.734 -0.481 49 HG23 VAL 9 2HG2 VAL 9 -5.680 -7.173 0.524 50 H CYS 10 H CYS 10 -1.589 -4.284 1.965 51 HA CYS 10 HA CYS 10 0.801 -3.766 0.503 52 HB2 CYS 10 1HB CYS 10 0.085 -3.071 2.835 53 HB3 CYS 10 2HB CYS 10 0.414 -4.723 3.369 54 H ALA 11 H ALA 11 1.972 -5.138 -0.664 55 HA ALA 11 HA ALA 11 1.773 -8.015 -0.445 56 HB1 ALA 11 1HB ALA 11 3.782 -6.243 -1.905 57 HB2 ALA 11 2HB ALA 11 3.534 -7.981 -2.174 58 HB3 ALA 11 3HB ALA 11 2.237 -6.833 -2.555 59 H LEU 12 H LEU 12 3.359 -5.820 1.510 60 HA LEU 12 HA LEU 12 5.771 -7.386 2.151 61 HB2 LEU 12 1HB LEU 12 4.717 -4.785 3.259 62 HB3 LEU 12 2HB LEU 12 6.284 -5.458 3.554 63 HG LEU 12 HG LEU 12 6.331 -3.570 2.073 64 HD11 LEU 12 1HD1 LEU 12 8.010 -5.283 1.953 65 HD12 LEU 12 2HD1 LEU 12 7.766 -4.438 0.394 66 HD13 LEU 12 3HD1 LEU 12 7.082 -6.091 0.663 67 HD21 LEU 12 3HD2 LEU 12 5.635 -3.471 -0.185 68 HD22 LEU 12 1HD2 LEU 12 4.194 -3.885 0.752 69 HD23 LEU 12 2HD2 LEU 12 5.056 -5.132 -0.184 70 H CYS 13 H CYS 13 3.043 -5.982 3.800 71 HA CYS 13 HA CYS 13 3.208 -7.936 6.059 72 HB2 CYS 13 1HB CYS 13 2.643 -6.299 7.625 73 HB3 CYS 13 2HB CYS 13 4.001 -5.752 6.656 74 H LEU 14 H LEU 14 1.094 -7.299 3.592 75 HA LEU 14 HA LEU 14 -1.007 -7.803 3.106 76 HB2 LEU 14 1HB LEU 14 -0.675 -9.768 5.373 77 HB3 LEU 14 2HB LEU 14 -2.086 -9.722 4.351 78 HG LEU 14 HG LEU 14 -0.637 -11.466 3.651 79 HD11 LEU 14 1HD1 LEU 14 -0.516 -11.039 1.285 80 HD12 LEU 14 2HD1 LEU 14 -0.550 -9.285 1.534 81 HD13 LEU 14 3HD1 LEU 14 -1.977 -10.272 1.931 82 HD21 LEU 14 3HD2 LEU 14 1.544 -11.237 2.727 83 HD22 LEU 14 1HD2 LEU 14 1.563 -10.478 4.328 84 HD23 LEU 14 2HD2 LEU 14 1.510 -9.473 2.859 85 H LYS 15 H LYS 15 -0.608 -5.576 5.070 86 HA LYS 15 HA LYS 15 -3.229 -5.203 6.316 87 HB2 LYS 15 1HB LYS 15 -1.164 -4.019 7.096 88 HB3 LYS 15 2HB LYS 15 -1.067 -3.256 5.492 89 HG2 LYS 15 1HG LYS 15 -3.146 -2.071 5.888 90 HG3 LYS 15 2HG LYS 15 -3.452 -2.975 7.384 91 HD2 LYS 15 1HD LYS 15 -1.510 -1.879 8.430 92 HD3 LYS 15 2HD LYS 15 -1.165 -1.008 6.931 93 HE2 LYS 15 1HE LYS 15 -3.704 -0.799 8.620 94 HE3 LYS 15 2HE LYS 15 -2.391 0.378 8.555 95 HZ1 LYS 15 3HZ LYS 15 -2.947 0.739 6.185 96 HZ2 LYS 15 1HZ LYS 15 -4.238 1.058 7.135 97 HZ3 LYS 15 2HZ LYS 15 -4.184 -0.323 6.266 98 H LYS 16 H LYS 16 -5.003 -4.102 5.536 99 HA LYS 16 HA LYS 16 -5.158 -3.533 2.648 100 HB2 LYS 16 1HB LYS 16 -6.836 -4.896 3.978 101 HB3 LYS 16 2HB LYS 16 -7.407 -3.375 4.677 102 HG2 LYS 16 1HG LYS 16 -8.028 -2.558 2.430 103 HG3 LYS 16 2HG LYS 16 -7.280 -3.983 1.683 104 HD2 LYS 16 1HD LYS 16 -8.899 -5.417 3.011 105 HD3 LYS 16 2HD LYS 16 -9.724 -3.914 3.487 106 HE2 LYS 16 1HE LYS 16 -10.074 -3.383 1.074 107 HE3 LYS 16 2HE LYS 16 -9.243 -4.886 0.633 108 HZ1 LYS 16 3HZ LYS 16 -10.997 -6.124 1.773 109 HZ2 LYS 16 1HZ LYS 16 -11.686 -5.159 0.651 110 HZ3 LYS 16 2HZ LYS 16 -11.753 -4.746 2.224 111 H PHE 17 H PHE 17 -5.871 -1.684 1.725 112 HA PHE 17 HA PHE 17 -5.828 0.909 3.196 113 HB2 PHE 17 1HB PHE 17 -4.164 0.115 0.767 114 HB3 PHE 17 2HB PHE 17 -4.421 1.782 1.256 115 HD1 PHE 17 1HD PHE 17 -2.803 -1.410 2.184 116 HD2 PHE 17 2HD PHE 17 -3.368 2.737 3.227 117 HE1 PHE 17 1HE PHE 17 -1.026 -1.590 3.894 118 HE2 PHE 17 2HE PHE 17 -1.531 2.571 4.891 119 HZ PHE 17 HZ PHE 17 -0.405 0.381 5.262 120 H VAL 18 H VAL 18 -6.818 2.638 2.147 121 HA VAL 18 HA VAL 18 -9.106 2.026 0.498 122 HB VAL 18 HB VAL 18 -9.115 3.730 2.246 123 HG11 VAL 18 1HG1 VAL 18 -6.852 4.710 1.953 124 HG12 VAL 18 2HG1 VAL 18 -7.378 5.465 0.432 125 HG13 VAL 18 3HG1 VAL 18 -8.124 5.933 1.965 126 HG21 VAL 18 3HG2 VAL 18 -10.762 3.838 0.401 127 HG22 VAL 18 1HG2 VAL 18 -10.397 5.424 1.103 128 HG23 VAL 18 2HG2 VAL 18 -9.701 4.974 -0.465 129 H SER 19 H SER 19 -5.898 3.377 -0.257 130 HA SER 19 HA SER 19 -6.523 3.169 -3.146 131 HB2 SER 19 1HB SER 19 -5.960 5.317 -3.707 132 HB3 SER 19 2HB SER 19 -6.854 5.570 -2.201 133 HG SER 19 HG SER 19 -4.973 6.763 -2.172 134 H SER 20 H SER 20 -4.644 3.229 -4.547 135 HA SER 20 HA SER 20 -2.373 1.720 -3.666 136 HB2 SER 20 1HB SER 20 -1.431 2.382 -5.877 137 HB3 SER 20 2HB SER 20 -3.063 1.701 -5.982 138 HG SER 20 HG SER 20 -2.874 3.598 -7.249 139 H ILE 21 H ILE 21 -2.993 5.226 -3.854 140 HA ILE 21 HA ILE 21 -0.273 6.076 -3.413 141 HB ILE 21 HB ILE 21 -2.945 7.434 -2.915 142 HG12 ILE 21 1HG1 ILE 21 -2.528 7.010 -5.279 143 HG13 ILE 21 2HG1 ILE 21 -2.487 8.723 -4.910 144 HG21 ILE 21 1HG2 ILE 21 -1.603 9.568 -2.813 145 HG22 ILE 21 2HG2 ILE 21 -1.471 8.507 -1.409 146 HG23 ILE 21 3HG2 ILE 21 -0.150 8.556 -2.600 147 HD11 ILE 21 3HD1 ILE 21 0.009 8.686 -5.000 148 HD12 ILE 21 1HD1 ILE 21 -0.052 6.956 -5.418 149 HD13 ILE 21 2HD1 ILE 21 -0.744 8.162 -6.512 150 H ARG 22 H ARG 22 -2.985 5.508 -1.104 151 HA ARG 22 HA ARG 22 -1.432 6.230 1.231 152 HB2 ARG 22 1HB ARG 22 -3.786 4.297 1.088 153 HB3 ARG 22 2HB ARG 22 -3.142 5.064 2.531 154 HG2 ARG 22 1HG ARG 22 -4.769 6.290 0.319 155 HG3 ARG 22 2HG ARG 22 -5.087 6.271 2.043 156 HD2 ARG 22 1HD ARG 22 -3.035 7.921 0.560 157 HD3 ARG 22 2HD ARG 22 -4.547 8.492 1.263 158 HE ARG 22 HE ARG 22 -3.164 7.339 3.401 159 HH11 ARG 22 2HH1 ARG 22 -2.575 10.052 1.266 160 HH12 ARG 22 1HH1 ARG 22 -1.597 10.883 2.444 161 HH21 ARG 22 2HH2 ARG 22 -1.903 8.452 4.856 162 HH22 ARG 22 1HH2 ARG 22 -1.240 9.999 4.424 163 H LEU 23 H LEU 23 -1.793 3.161 -0.495 164 HA LEU 23 HA LEU 23 -0.237 1.611 1.357 165 HB2 LEU 23 1HB LEU 23 -1.824 0.540 -0.072 166 HB3 LEU 23 2HB LEU 23 -1.130 1.263 -1.523 167 HG LEU 23 HG LEU 23 0.892 -0.057 -1.297 168 HD11 LEU 23 1HD1 LEU 23 0.859 -0.301 1.251 169 HD12 LEU 23 2HD1 LEU 23 1.218 -1.753 0.352 170 HD13 LEU 23 3HD1 LEU 23 -0.410 -1.515 1.036 171 HD21 LEU 23 3HD2 LEU 23 -1.633 -1.744 -1.081 172 HD22 LEU 23 1HD2 LEU 23 -0.078 -2.275 -1.761 173 HD23 LEU 23 2HD2 LEU 23 -0.996 -0.986 -2.558 174 H ARG 24 H ARG 24 0.656 3.270 -1.745 175 HA ARG 24 HA ARG 24 3.297 2.299 -1.968 176 HB2 ARG 24 1HB ARG 24 1.955 4.898 -2.789 177 HB3 ARG 24 2HB ARG 24 3.668 4.648 -3.110 178 HG2 ARG 24 1HG ARG 24 3.302 2.773 -4.527 179 HG3 ARG 24 2HG ARG 24 1.626 2.584 -4.012 180 HD2 ARG 24 1HD ARG 24 1.072 4.787 -5.033 181 HD3 ARG 24 2HD ARG 24 2.750 4.926 -5.603 182 HE ARG 24 HE ARG 24 1.708 2.443 -6.512 183 HH11 ARG 24 2HH1 ARG 24 1.211 5.843 -7.193 184 HH12 ARG 24 1HH1 ARG 24 0.619 5.528 -8.800 185 HH21 ARG 24 2HH2 ARG 24 0.965 2.114 -8.581 186 HH22 ARG 24 1HH2 ARG 24 0.496 3.471 -9.563 187 H SER 25 H SER 25 2.285 5.318 -0.382 188 HA SER 25 HA SER 25 4.897 5.938 0.640 189 HB2 SER 25 1HB SER 25 2.092 6.885 1.303 190 HB3 SER 25 2HB SER 25 3.555 7.582 2.054 191 HG SER 25 HG SER 25 2.897 8.743 0.176 192 H HIS 26 H HIS 26 2.208 4.036 2.089 193 HA HIS 26 HA HIS 26 3.355 3.754 4.705 194 HB2 HIS 26 1HB HIS 26 1.172 2.953 4.514 195 HB3 HIS 26 2HB HIS 26 1.473 2.109 3.012 196 HD1 HIS 26 1HD HIS 26 1.805 1.572 6.768 197 HD2 HIS 26 2HD HIS 26 2.574 -0.362 3.109 198 HE1 HIS 26 1HE HIS 26 2.153 -0.876 7.339 199 H ILE 27 H ILE 27 3.959 1.907 1.650 200 HA ILE 27 HA ILE 27 5.781 0.091 2.895 201 HB ILE 27 HB ILE 27 5.798 0.924 -0.024 202 HG12 ILE 27 1HG1 ILE 27 4.482 -1.563 1.116 203 HG13 ILE 27 2HG1 ILE 27 3.573 -0.083 0.939 204 HG21 ILE 27 1HG2 ILE 27 7.858 -0.186 0.706 205 HG22 ILE 27 2HG2 ILE 27 6.882 -1.537 1.326 206 HG23 ILE 27 3HG2 ILE 27 6.938 -1.182 -0.413 207 HD11 ILE 27 3HD1 ILE 27 3.213 -1.477 -1.011 208 HD12 ILE 27 1HD1 ILE 27 4.066 0.012 -1.471 209 HD13 ILE 27 2HD1 ILE 27 4.949 -1.523 -1.353 210 H ARG 28 H ARG 28 6.343 3.328 1.507 211 HA ARG 28 HA ARG 28 9.238 3.145 1.812 212 HB2 ARG 28 1HB ARG 28 7.602 5.694 1.682 213 HB3 ARG 28 2HB ARG 28 9.307 5.464 1.302 214 HG2 ARG 28 1HG ARG 28 6.892 4.655 -0.318 215 HG3 ARG 28 2HG ARG 28 8.242 5.687 -0.785 216 HD2 ARG 28 1HD ARG 28 9.697 3.581 -0.601 217 HD3 ARG 28 2HD ARG 28 8.190 2.658 -0.475 218 HE ARG 28 HE ARG 28 9.360 3.854 -2.865 219 HH11 ARG 28 2HH1 ARG 28 6.193 2.795 -1.650 220 HH12 ARG 28 1HH1 ARG 28 5.754 2.260 -3.254 221 HH21 ARG 28 2HH2 ARG 28 8.665 3.353 -4.698 222 HH22 ARG 28 1HH2 ARG 28 7.136 2.517 -4.975 223 H GLU 29 H GLU 29 6.676 4.475 3.890 224 HA GLU 29 HA GLU 29 8.537 5.485 5.882 225 HB2 GLU 29 1HB GLU 29 5.534 5.001 5.881 226 HB3 GLU 29 2HB GLU 29 6.391 5.716 7.241 227 HG2 GLU 29 1HG GLU 29 6.395 6.900 4.430 228 HG3 GLU 29 2HG GLU 29 5.287 7.366 5.714 229 H VAL 30 H VAL 30 6.712 2.443 5.603 230 HA VAL 30 HA VAL 30 7.610 1.636 8.323 231 HB VAL 30 HB VAL 30 5.402 0.458 6.598 232 HG11 VAL 30 1HG1 VAL 30 6.057 0.098 9.551 233 HG12 VAL 30 2HG1 VAL 30 4.591 -0.499 8.743 234 HG13 VAL 30 3HG1 VAL 30 6.164 -1.146 8.282 235 HG21 VAL 30 3HG2 VAL 30 5.285 2.488 8.876 236 HG22 VAL 30 1HG2 VAL 30 4.813 2.765 7.184 237 HG23 VAL 30 2HG2 VAL 30 3.873 1.660 8.186 238 H HIS 31 H HIS 31 7.847 0.541 4.957 239 HA HIS 31 HA HIS 31 9.423 -1.833 5.897 240 HB2 HIS 31 1HB HIS 31 7.965 -1.459 3.278 241 HB3 HIS 31 2HB HIS 31 8.787 -2.912 3.827 242 HD1 HIS 31 1HD HIS 31 7.626 -3.603 6.532 243 HD2 HIS 31 2HD HIS 31 5.404 -1.828 3.448 244 HE1 HIS 31 1HE HIS 31 5.198 -4.152 7.016 245 H GLY 32 H GLY 32 9.794 1.186 4.312 246 HA2 GLY 32 1HA GLY 32 11.671 2.258 3.609 247 HA3 GLY 32 2HA GLY 32 12.624 0.957 4.331 248 H ALA 33 H ALA 33 10.367 0.414 1.611 249 HA ALA 33 HA ALA 33 12.294 -0.884 0.032 250 HB1 ALA 33 1HB ALA 33 9.616 0.313 -0.786 251 HB2 ALA 33 2HB ALA 33 10.544 -0.901 -1.688 252 HB3 ALA 33 3HB ALA 33 9.875 -1.316 -0.101 253 H ALA 34 H ALA 34 13.517 -0.320 -1.495 254 HA ALA 34 HA ALA 34 14.289 2.448 -1.933 255 HB1 ALA 34 1HB ALA 34 15.444 -0.125 -3.080 256 HB2 ALA 34 2HB ALA 34 16.226 1.471 -3.073 257 HB3 ALA 34 3HB ALA 34 15.921 0.635 -1.541 258 H GLN 35 H GLN 35 11.781 1.089 -3.305 259 HA GLN 35 HA GLN 35 12.148 1.538 -6.160 260 HB2 GLN 35 1HB GLN 35 10.619 -0.175 -5.251 261 HB3 GLN 35 2HB GLN 35 9.664 1.079 -4.462 262 HG2 GLN 35 1HG GLN 35 9.241 2.063 -6.802 263 HG3 GLN 35 2HG GLN 35 10.013 0.618 -7.457 264 HE21 GLN 35 1HE2 GLN 35 8.879 -1.504 -7.077 265 HE22 GLN 35 2HE2 GLN 35 7.160 -1.475 -6.700 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -10.384 -14.148 -13.730 2 H2 GLY 1 2H GLY 1 -10.027 -13.113 -12.509 3 H3 GLY 1 3H GLY 1 -9.274 -12.962 -13.956 4 HA2 GLY 1 1HA GLY 1 -11.346 -12.391 -15.047 5 HA3 GLY 1 2HA GLY 1 -12.151 -12.536 -13.475 6 H SER 2 H SER 2 -12.849 -10.341 -13.647 7 HA SER 2 HA SER 2 -10.937 -8.138 -13.777 8 HB2 SER 2 1HB SER 2 -12.960 -6.741 -13.455 9 HB3 SER 2 2HB SER 2 -13.089 -7.874 -14.808 10 HG SER 2 HG SER 2 -14.987 -7.848 -13.505 11 H SER 3 H SER 3 -10.939 -6.403 -12.164 12 HA SER 3 HA SER 3 -11.109 -7.335 -9.322 13 HB2 SER 3 1HB SER 3 -8.949 -5.594 -10.569 14 HB3 SER 3 2HB SER 3 -9.131 -5.941 -8.842 15 HG SER 3 HG SER 3 -8.636 -7.833 -10.920 16 H GLY 4 H GLY 4 -11.495 -5.694 -7.747 17 HA2 GLY 4 1HA GLY 4 -13.496 -3.770 -8.486 18 HA3 GLY 4 2HA GLY 4 -12.765 -3.960 -6.898 19 H SER 5 H SER 5 -13.512 -1.500 -8.088 20 HA SER 5 HA SER 5 -11.121 -0.099 -9.035 21 HB2 SER 5 1HB SER 5 -12.676 1.823 -9.202 22 HB3 SER 5 2HB SER 5 -13.250 0.381 -10.052 23 HG SER 5 HG SER 5 -14.905 1.373 -8.789 24 H SER 6 H SER 6 -12.021 -0.952 -5.968 25 HA SER 6 HA SER 6 -10.384 1.158 -4.712 26 HB2 SER 6 1HB SER 6 -12.765 1.959 -4.647 27 HB3 SER 6 2HB SER 6 -13.190 0.505 -3.722 28 HG SER 6 HG SER 6 -12.738 2.346 -2.391 29 H GLY 7 H GLY 7 -9.711 0.593 -2.557 30 HA2 GLY 7 1HA GLY 7 -9.078 -0.839 -0.837 31 HA3 GLY 7 2HA GLY 7 -10.021 -2.143 -1.537 32 H TYR 8 H TYR 8 -6.984 -1.182 -0.818 33 HA TYR 8 HA TYR 8 -5.623 -2.968 -2.806 34 HB2 TYR 8 1HB TYR 8 -4.616 -0.308 -1.710 35 HB3 TYR 8 2HB TYR 8 -3.768 -1.362 -2.830 36 HD1 TYR 8 2HD TYR 8 -6.716 0.881 -2.439 37 HD2 TYR 8 1HD TYR 8 -4.247 -1.329 -5.202 38 HE1 TYR 8 2HE TYR 8 -7.853 1.998 -4.345 39 HE2 TYR 8 1HE TYR 8 -5.356 -0.181 -7.109 40 HH TYR 8 HH TYR 8 -6.957 1.331 -7.757 41 H VAL 9 H VAL 9 -3.743 -4.125 -1.951 42 HA VAL 9 HA VAL 9 -3.478 -4.034 1.016 43 HB VAL 9 HB VAL 9 -3.691 -6.582 -0.616 44 HG11 VAL 9 1HG1 VAL 9 -3.460 -6.080 2.385 45 HG12 VAL 9 2HG1 VAL 9 -3.813 -7.655 1.642 46 HG13 VAL 9 3HG1 VAL 9 -2.263 -6.871 1.349 47 HG21 VAL 9 3HG2 VAL 9 -5.686 -5.337 1.327 48 HG22 VAL 9 1HG2 VAL 9 -5.921 -5.538 -0.424 49 HG23 VAL 9 2HG2 VAL 9 -5.813 -6.958 0.615 50 H CYS 10 H CYS 10 -1.525 -4.283 1.873 51 HA CYS 10 HA CYS 10 0.862 -3.899 0.383 52 HB2 CYS 10 1HB CYS 10 0.349 -3.271 2.753 53 HB3 CYS 10 2HB CYS 10 0.441 -4.982 3.192 54 H ALA 11 H ALA 11 2.364 -5.222 -0.435 55 HA ALA 11 HA ALA 11 1.795 -8.101 -0.659 56 HB1 ALA 11 1HB ALA 11 4.032 -6.394 -1.835 57 HB2 ALA 11 2HB ALA 11 3.656 -8.076 -2.259 58 HB3 ALA 11 3HB ALA 11 2.490 -6.793 -2.630 59 H LEU 12 H LEU 12 3.359 -6.200 1.631 60 HA LEU 12 HA LEU 12 5.477 -8.214 2.249 61 HB2 LEU 12 1HB LEU 12 5.261 -5.320 3.142 62 HB3 LEU 12 2HB LEU 12 6.570 -6.442 3.436 63 HG LEU 12 HG LEU 12 6.848 -6.509 0.831 64 HD11 LEU 12 1HD1 LEU 12 5.295 -3.889 1.150 65 HD12 LEU 12 2HD1 LEU 12 4.840 -5.244 0.108 66 HD13 LEU 12 3HD1 LEU 12 6.286 -4.317 -0.256 67 HD21 LEU 12 3HD2 LEU 12 8.394 -5.476 2.454 68 HD22 LEU 12 1HD2 LEU 12 7.389 -4.015 2.450 69 HD23 LEU 12 2HD2 LEU 12 8.273 -4.492 0.980 70 H CYS 13 H CYS 13 3.233 -6.046 3.961 71 HA CYS 13 HA CYS 13 3.135 -7.959 6.246 72 HB2 CYS 13 1HB CYS 13 2.540 -6.220 7.702 73 HB3 CYS 13 2HB CYS 13 4.002 -5.806 6.824 74 H LEU 14 H LEU 14 1.246 -7.346 3.634 75 HA LEU 14 HA LEU 14 -0.848 -7.841 3.007 76 HB2 LEU 14 1HB LEU 14 -1.023 -9.669 5.391 77 HB3 LEU 14 2HB LEU 14 -1.874 -9.791 3.855 78 HG LEU 14 HG LEU 14 1.102 -10.239 4.340 79 HD11 LEU 14 1HD1 LEU 14 -1.116 -12.102 3.401 80 HD12 LEU 14 2HD1 LEU 14 -0.415 -12.059 5.035 81 HD13 LEU 14 3HD1 LEU 14 0.592 -12.530 3.658 82 HD21 LEU 14 3HD2 LEU 14 -0.433 -10.268 1.706 83 HD22 LEU 14 1HD2 LEU 14 1.189 -10.960 1.940 84 HD23 LEU 14 2HD2 LEU 14 0.944 -9.229 2.138 85 H LYS 15 H LYS 15 -0.579 -5.576 4.935 86 HA LYS 15 HA LYS 15 -3.206 -5.245 6.166 87 HB2 LYS 15 1HB LYS 15 -1.153 -4.133 7.026 88 HB3 LYS 15 2HB LYS 15 -0.991 -3.305 5.460 89 HG2 LYS 15 1HG LYS 15 -3.024 -2.071 5.835 90 HG3 LYS 15 2HG LYS 15 -3.425 -3.031 7.278 91 HD2 LYS 15 1HD LYS 15 -1.465 -2.055 8.433 92 HD3 LYS 15 2HD LYS 15 -1.086 -1.097 6.998 93 HE2 LYS 15 1HE LYS 15 -3.636 -0.963 8.676 94 HE3 LYS 15 2HE LYS 15 -2.323 0.212 8.668 95 HZ1 LYS 15 3HZ LYS 15 -2.874 0.684 6.316 96 HZ2 LYS 15 1HZ LYS 15 -4.162 0.968 7.282 97 HZ3 LYS 15 2HZ LYS 15 -4.120 -0.372 6.353 98 H LYS 16 H LYS 16 -4.978 -4.141 5.410 99 HA LYS 16 HA LYS 16 -5.101 -3.404 2.564 100 HB2 LYS 16 1HB LYS 16 -6.794 -4.851 3.665 101 HB3 LYS 16 2HB LYS 16 -7.320 -3.474 4.636 102 HG2 LYS 16 1HG LYS 16 -8.031 -2.266 2.639 103 HG3 LYS 16 2HG LYS 16 -7.338 -3.496 1.576 104 HD2 LYS 16 1HD LYS 16 -9.605 -3.998 3.548 105 HD3 LYS 16 2HD LYS 16 -9.828 -3.593 1.837 106 HE2 LYS 16 1HE LYS 16 -8.534 -5.618 1.186 107 HE3 LYS 16 2HE LYS 16 -8.356 -6.051 2.891 108 HZ1 LYS 16 3HZ LYS 16 -10.950 -5.826 1.458 109 HZ2 LYS 16 1HZ LYS 16 -10.783 -6.221 3.035 110 HZ3 LYS 16 2HZ LYS 16 -10.221 -7.224 1.879 111 H PHE 17 H PHE 17 -5.778 -1.508 1.734 112 HA PHE 17 HA PHE 17 -5.750 1.004 3.332 113 HB2 PHE 17 1HB PHE 17 -4.113 0.324 0.850 114 HB3 PHE 17 2HB PHE 17 -4.342 1.963 1.441 115 HD1 PHE 17 1HD PHE 17 -2.707 -1.279 2.113 116 HD2 PHE 17 2HD PHE 17 -3.297 2.768 3.488 117 HE1 PHE 17 1HE PHE 17 -0.894 -1.577 3.776 118 HE2 PHE 17 2HE PHE 17 -1.454 2.479 5.127 119 HZ PHE 17 HZ PHE 17 -0.308 0.282 5.313 120 H VAL 18 H VAL 18 -6.751 2.769 2.367 121 HA VAL 18 HA VAL 18 -9.071 2.277 0.748 122 HB VAL 18 HB VAL 18 -8.959 3.937 2.532 123 HG11 VAL 18 1HG1 VAL 18 -6.661 4.829 2.223 124 HG12 VAL 18 2HG1 VAL 18 -7.174 5.628 0.720 125 HG13 VAL 18 3HG1 VAL 18 -7.867 6.111 2.272 126 HG21 VAL 18 3HG2 VAL 18 -9.551 5.315 -0.110 127 HG22 VAL 18 1HG2 VAL 18 -10.644 4.190 0.729 128 HG23 VAL 18 2HG2 VAL 18 -10.189 5.724 1.492 129 H SER 19 H SER 19 -5.826 3.326 -0.098 130 HA SER 19 HA SER 19 -6.522 3.495 -2.978 131 HB2 SER 19 1HB SER 19 -6.862 5.749 -2.264 132 HB3 SER 19 2HB SER 19 -5.371 5.746 -1.312 133 HG SER 19 HG SER 19 -5.322 6.782 -3.470 134 H SER 20 H SER 20 -4.758 3.269 -4.378 135 HA SER 20 HA SER 20 -2.528 1.670 -3.559 136 HB2 SER 20 1HB SER 20 -1.672 2.160 -5.835 137 HB3 SER 20 2HB SER 20 -3.353 1.604 -5.833 138 HG SER 20 HG SER 20 -3.082 3.421 -7.195 139 H ILE 21 H ILE 21 -2.961 5.194 -3.848 140 HA ILE 21 HA ILE 21 -0.166 5.882 -3.600 141 HB ILE 21 HB ILE 21 -2.635 7.508 -2.878 142 HG12 ILE 21 1HG1 ILE 21 -2.837 6.875 -5.195 143 HG13 ILE 21 2HG1 ILE 21 -2.402 8.567 -5.090 144 HG21 ILE 21 1HG2 ILE 21 -0.703 8.516 -1.865 145 HG22 ILE 21 2HG2 ILE 21 0.257 8.330 -3.345 146 HG23 ILE 21 3HG2 ILE 21 -1.111 9.468 -3.293 147 HD11 ILE 21 3HD1 ILE 21 -0.525 6.278 -5.827 148 HD12 ILE 21 1HD1 ILE 21 -1.200 7.497 -6.916 149 HD13 ILE 21 2HD1 ILE 21 -0.034 7.985 -5.675 150 H ARG 22 H ARG 22 -2.761 5.502 -1.197 151 HA ARG 22 HA ARG 22 -1.215 6.217 1.146 152 HB2 ARG 22 1HB ARG 22 -3.641 4.385 0.850 153 HB3 ARG 22 2HB ARG 22 -3.015 4.984 2.375 154 HG2 ARG 22 1HG ARG 22 -4.068 6.777 0.138 155 HG3 ARG 22 2HG ARG 22 -5.034 6.202 1.487 156 HD2 ARG 22 1HD ARG 22 -2.616 7.968 1.676 157 HD3 ARG 22 2HD ARG 22 -4.295 8.499 1.803 158 HE ARG 22 HE ARG 22 -4.048 6.565 3.779 159 HH11 ARG 22 2HH1 ARG 22 -2.464 9.633 3.178 160 HH12 ARG 22 1HH1 ARG 22 -2.125 9.893 4.867 161 HH21 ARG 22 2HH2 ARG 22 -3.571 6.956 5.920 162 HH22 ARG 22 1HH2 ARG 22 -2.744 8.418 6.369 163 H LEU 23 H LEU 23 -1.785 3.120 -0.514 164 HA LEU 23 HA LEU 23 -0.251 1.503 1.286 165 HB2 LEU 23 1HB LEU 23 -1.881 0.478 -0.112 166 HB3 LEU 23 2HB LEU 23 -1.233 1.224 -1.570 167 HG LEU 23 HG LEU 23 0.769 -0.147 -1.466 168 HD11 LEU 23 1HD1 LEU 23 0.819 -0.461 1.077 169 HD12 LEU 23 2HD1 LEU 23 1.134 -1.882 0.110 170 HD13 LEU 23 3HD1 LEU 23 -0.468 -1.656 0.869 171 HD21 LEU 23 3HD2 LEU 23 -1.188 -0.985 -2.679 172 HD22 LEU 23 1HD2 LEU 23 -1.784 -1.774 -1.202 173 HD23 LEU 23 2HD2 LEU 23 -0.271 -2.320 -1.959 174 H ARG 24 H ARG 24 0.645 3.089 -1.857 175 HA ARG 24 HA ARG 24 3.308 2.109 -1.968 176 HB2 ARG 24 1HB ARG 24 1.975 4.634 -3.002 177 HB3 ARG 24 2HB ARG 24 3.680 4.310 -3.321 178 HG2 ARG 24 1HG ARG 24 3.230 2.357 -4.597 179 HG3 ARG 24 2HG ARG 24 1.561 2.249 -4.030 180 HD2 ARG 24 1HD ARG 24 1.054 4.414 -5.160 181 HD3 ARG 24 2HD ARG 24 2.712 4.447 -5.797 182 HE ARG 24 HE ARG 24 1.518 1.957 -6.507 183 HH11 ARG 24 2HH1 ARG 24 1.188 5.329 -7.399 184 HH12 ARG 24 1HH1 ARG 24 0.529 4.944 -8.965 185 HH21 ARG 24 2HH2 ARG 24 0.691 1.538 -8.528 186 HH22 ARG 24 1HH2 ARG 24 0.266 2.853 -9.583 187 H SER 25 H SER 25 2.119 5.126 -0.518 188 HA SER 25 HA SER 25 4.659 5.973 0.525 189 HB2 SER 25 1HB SER 25 2.643 7.421 0.157 190 HB3 SER 25 2HB SER 25 1.852 6.632 1.535 191 HG SER 25 HG SER 25 2.924 8.618 2.088 192 H HIS 26 H HIS 26 2.099 3.898 1.986 193 HA HIS 26 HA HIS 26 3.271 3.617 4.578 194 HB2 HIS 26 1HB HIS 26 1.163 2.697 4.433 195 HB3 HIS 26 2HB HIS 26 1.441 1.940 2.884 196 HD1 HIS 26 1HD HIS 26 1.995 1.258 6.595 197 HD2 HIS 26 2HD HIS 26 2.610 -0.505 2.824 198 HE1 HIS 26 1HE HIS 26 2.490 -1.185 7.053 199 H ILE 27 H ILE 27 3.946 1.765 1.545 200 HA ILE 27 HA ILE 27 5.836 0.014 2.765 201 HB ILE 27 HB ILE 27 5.801 0.966 -0.121 202 HG12 ILE 27 1HG1 ILE 27 4.584 -1.600 1.004 203 HG13 ILE 27 2HG1 ILE 27 3.644 -0.153 0.723 204 HG21 ILE 27 1HG2 ILE 27 7.068 -1.079 -0.596 205 HG22 ILE 27 2HG2 ILE 27 7.930 -0.122 0.599 206 HG23 ILE 27 3HG2 ILE 27 6.995 -1.550 1.116 207 HD11 ILE 27 3HD1 ILE 27 3.341 -1.571 -1.171 208 HD12 ILE 27 1HD1 ILE 27 4.323 -0.184 -1.688 209 HD13 ILE 27 2HD1 ILE 27 5.084 -1.766 -1.401 210 H ARG 28 H ARG 28 6.239 3.345 1.596 211 HA ARG 28 HA ARG 28 9.155 3.277 1.960 212 HB2 ARG 28 1HB ARG 28 7.414 5.739 1.788 213 HB3 ARG 28 2HB ARG 28 9.138 5.584 1.458 214 HG2 ARG 28 1HG ARG 28 6.800 4.733 -0.249 215 HG3 ARG 28 2HG ARG 28 8.143 5.797 -0.661 216 HD2 ARG 28 1HD ARG 28 9.601 3.658 -0.397 217 HD3 ARG 28 2HD ARG 28 8.071 2.770 -0.460 218 HE ARG 28 HE ARG 28 9.461 4.132 -2.645 219 HH11 ARG 28 2HH1 ARG 28 6.249 2.973 -1.754 220 HH12 ARG 28 1HH1 ARG 28 5.890 2.541 -3.405 221 HH21 ARG 28 2HH2 ARG 28 8.822 3.726 -4.714 222 HH22 ARG 28 1HH2 ARG 28 7.253 3.055 -5.033 223 H GLU 29 H GLU 29 6.391 4.322 3.990 224 HA GLU 29 HA GLU 29 7.897 5.725 5.923 225 HB2 GLU 29 1HB GLU 29 5.611 6.173 5.355 226 HB3 GLU 29 2HB GLU 29 5.149 4.499 5.610 227 HG2 GLU 29 1HG GLU 29 4.274 5.811 7.290 228 HG3 GLU 29 2HG GLU 29 5.424 4.663 7.965 229 H VAL 30 H VAL 30 6.855 2.322 5.758 230 HA VAL 30 HA VAL 30 8.271 1.800 8.360 231 HB VAL 30 HB VAL 30 6.002 1.960 8.721 232 HG11 VAL 30 1HG1 VAL 30 4.314 0.347 7.789 233 HG12 VAL 30 2HG1 VAL 30 4.861 1.638 6.740 234 HG13 VAL 30 3HG1 VAL 30 5.495 -0.019 6.507 235 HG21 VAL 30 3HG2 VAL 30 7.156 0.129 9.969 236 HG22 VAL 30 1HG2 VAL 30 5.411 -0.147 9.766 237 HG23 VAL 30 2HG2 VAL 30 6.554 -1.028 8.747 238 H HIS 31 H HIS 31 7.754 0.577 5.125 239 HA HIS 31 HA HIS 31 9.514 -1.761 5.820 240 HB2 HIS 31 1HB HIS 31 8.057 -1.311 3.219 241 HB3 HIS 31 2HB HIS 31 8.949 -2.731 3.726 242 HD1 HIS 31 1HD HIS 31 7.714 -3.392 6.507 243 HD2 HIS 31 2HD HIS 31 5.595 -2.109 3.119 244 HE1 HIS 31 1HE HIS 31 5.343 -4.239 6.811 245 H GLY 32 H GLY 32 9.677 1.374 4.542 246 HA2 GLY 32 1HA GLY 32 11.354 2.626 3.660 247 HA3 GLY 32 2HA GLY 32 12.461 1.515 4.477 248 H ALA 33 H ALA 33 10.343 0.717 1.660 249 HA ALA 33 HA ALA 33 12.499 -0.438 0.224 250 HB1 ALA 33 1HB ALA 33 9.719 0.330 -0.742 251 HB2 ALA 33 2HB ALA 33 10.812 -0.850 -1.484 252 HB3 ALA 33 3HB ALA 33 10.126 -1.186 0.113 253 H ALA 34 H ALA 34 13.085 0.045 -1.838 254 HA ALA 34 HA ALA 34 12.922 2.717 -3.008 255 HB1 ALA 34 1HB ALA 34 15.609 1.582 -2.101 256 HB2 ALA 34 2HB ALA 34 15.379 3.030 -3.106 257 HB3 ALA 34 3HB ALA 34 14.794 3.013 -1.432 258 H GLN 35 H GLN 35 12.681 2.448 -5.086 259 HA GLN 35 HA GLN 35 14.099 0.426 -6.679 260 HB2 GLN 35 1HB GLN 35 12.085 -0.482 -7.697 261 HB3 GLN 35 2HB GLN 35 12.116 -0.802 -5.967 262 HG2 GLN 35 1HG GLN 35 10.511 1.087 -5.598 263 HG3 GLN 35 2HG GLN 35 10.459 1.361 -7.345 264 HE21 GLN 35 1HE2 GLN 35 9.632 -0.525 -8.722 265 HE22 GLN 35 2HE2 GLN 35 8.440 -1.580 -7.976
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