NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12290 | 1srk | 6216 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -15.971 -4.261 11.026 2 2H GLY 1 2H GLY 1 -16.991 -5.611 11.108 3 3H GLY 1 3H GLY 1 -17.452 -4.253 10.207 4 1HA GLY 1 2HA GLY 1 -16.593 -6.229 8.913 5 2HA GLY 1 1HA GLY 1 -15.896 -4.655 8.539 6 H SER 2 H SER 2 -13.890 -5.271 7.884 7 HA SER 2 HA SER 2 -11.928 -5.811 9.833 8 1HB SER 2 2HB SER 2 -12.911 -8.082 9.770 9 HG SER 2 HG SER 2 -10.742 -8.954 8.627 10 H SER 3 H SER 3 -12.811 -6.142 6.408 11 HA SER 3 HA SER 3 -10.541 -4.552 5.587 12 1HB SER 3 2HB SER 3 -9.561 -6.812 5.970 13 HG SER 3 HG SER 3 -8.696 -7.144 3.873 14 H GLY 4 H GLY 4 -10.609 -5.704 2.873 15 1HA GLY 4 1HA GLY 4 -11.770 -5.494 0.904 16 2HA GLY 4 2HA GLY 4 -13.194 -5.919 1.836 17 H LYS 5 H LYS 5 -11.065 -3.029 1.757 18 HA LYS 5 HA LYS 5 -13.307 -1.396 0.897 19 1HB LYS 5 2HB LYS 5 -13.329 -1.673 3.443 20 1HG LYS 5 2HG LYS 5 -13.108 1.088 2.281 21 1HD LYS 5 2HD LYS 5 -12.708 1.044 4.713 22 1HE LYS 5 2HE LYS 5 -15.441 -0.215 4.800 23 1HZ LYS 5 1HZ LYS 5 -13.811 1.106 6.864 24 2HZ LYS 5 2HZ LYS 5 -14.810 -0.199 7.288 25 3HZ LYS 5 3HZ LYS 5 -15.483 1.195 6.597 26 H ARG 6 H ARG 6 -12.611 0.790 0.363 27 HA ARG 6 HA ARG 6 -10.307 0.613 -1.207 28 1HB ARG 6 2HB ARG 6 -12.300 1.709 -1.975 29 1HG ARG 6 2HG ARG 6 -11.483 3.826 -2.844 30 1HD ARG 6 2HD ARG 6 -9.346 1.698 -2.821 31 HE ARG 6 HE ARG 6 -9.304 4.209 -4.067 32 1HH1 ARG 6 2HH1 ARG 6 -8.852 0.840 -4.890 33 2HH1 ARG 6 1HH1 ARG 6 -7.736 1.171 -6.173 34 1HH2 ARG 6 2HH2 ARG 6 -7.804 4.652 -5.729 35 2HH2 ARG 6 1HH2 ARG 6 -7.116 3.333 -6.642 36 HA PRO 7 HA PRO 7 -8.404 4.218 1.472 37 1HB PRO 7 2HB PRO 7 -8.766 4.074 4.131 38 1HG PRO 7 2HG PRO 7 -9.964 2.037 4.104 39 1HD PRO 7 2HD PRO 7 -11.286 1.430 2.299 40 H PHE 8 H PHE 8 -7.817 1.278 1.074 41 HA PHE 8 HA PHE 8 -5.858 0.772 3.182 42 1HB PHE 8 2HB PHE 8 -6.781 -0.929 0.862 43 HD1 PHE 8 1HD PHE 8 -6.959 -3.390 2.494 44 HD2 PHE 8 2HD PHE 8 -8.397 0.536 3.229 45 HE1 PHE 8 1HE PHE 8 -8.740 -4.317 3.898 46 HE2 PHE 8 2HE PHE 8 -10.183 -0.373 4.646 47 HZ PHE 8 HZ PHE 8 -10.365 -2.793 4.984 48 H VAL 9 H VAL 9 -5.045 2.925 1.914 49 HA VAL 9 HA VAL 9 -3.532 2.372 -0.446 50 HB VAL 9 HB VAL 9 -4.523 4.627 0.167 51 1HG1 VAL 9 1HG1 VAL 9 -3.874 4.863 2.436 52 2HG1 VAL 9 2HG1 VAL 9 -2.168 4.646 2.032 53 3HG1 VAL 9 3HG1 VAL 9 -3.021 6.104 1.515 54 1HG2 VAL 9 1HG2 VAL 9 -1.759 5.327 -0.355 55 2HG2 VAL 9 2HG2 VAL 9 -2.311 3.970 -1.336 56 3HG2 VAL 9 3HG2 VAL 9 -3.186 5.501 -1.377 57 H CYS 10 H CYS 10 -1.347 2.118 -0.665 58 HA CYS 10 HA CYS 10 -0.008 0.678 1.256 59 1HB CYS 10 2HB CYS 10 0.604 0.576 -1.075 60 H ARG 11 H ARG 11 1.361 1.075 2.793 61 HA ARG 11 HA ARG 11 1.511 3.606 4.028 62 1HB ARG 11 2HB ARG 11 3.119 2.482 5.554 63 1HG ARG 11 2HG ARG 11 2.720 0.102 3.750 64 1HD ARG 11 2HD ARG 11 2.564 -0.523 6.118 65 HE ARG 11 HE ARG 11 4.651 1.313 6.549 66 1HH1 ARG 11 2HH1 ARG 11 3.663 -1.916 7.517 67 2HH1 ARG 11 1HH1 ARG 11 4.449 -1.822 9.066 68 1HH2 ARG 11 2HH2 ARG 11 5.716 1.411 8.561 69 2HH2 ARG 11 1HH2 ARG 11 5.605 0.075 9.666 70 H ILE 12 H ILE 12 3.689 1.818 1.880 71 HA ILE 12 HA ILE 12 5.778 3.791 2.281 72 HB ILE 12 HB ILE 12 5.778 1.468 0.363 73 1HG1 ILE 12 2HG1 ILE 12 5.507 0.667 2.654 74 1HG2 ILE 12 1HG2 ILE 12 8.342 1.864 0.860 75 2HG2 ILE 12 2HG2 ILE 12 7.497 2.780 -0.388 76 3HG2 ILE 12 3HG2 ILE 12 7.784 3.503 1.195 77 1HD1 ILE 12 1HD1 ILE 12 7.331 1.061 4.309 78 2HD1 ILE 12 2HD1 ILE 12 7.876 2.394 3.289 79 3HD1 ILE 12 3HD1 ILE 12 6.270 2.440 4.016 80 H CYS 13 H CYS 13 3.965 2.591 -0.583 81 HA CYS 13 HA CYS 13 4.660 5.121 -1.860 82 1HB CYS 13 2HB CYS 13 3.931 4.194 -3.995 83 H LEU 14 H LEU 14 1.999 4.189 -3.425 84 HA LEU 14 HA LEU 14 -0.008 5.101 -1.570 85 1HB LEU 14 2HB LEU 14 0.764 6.735 -3.982 86 HG LEU 14 HG LEU 14 1.828 7.450 -1.859 87 1HD1 LEU 14 1HD1 LEU 14 -0.089 9.621 -2.264 88 2HD1 LEU 14 2HD1 LEU 14 1.661 9.594 -2.487 89 3HD1 LEU 14 3HD1 LEU 14 0.600 8.987 -3.759 90 1HD2 LEU 14 1HD2 LEU 14 0.619 7.188 -0.003 91 2HD2 LEU 14 2HD2 LEU 14 -0.231 8.661 -0.473 92 3HD2 LEU 14 3HD2 LEU 14 -0.892 7.082 -0.908 93 H SER 15 H SER 15 0.511 2.708 -2.955 94 HA SER 15 HA SER 15 -1.507 2.539 -5.045 95 1HB SER 15 2HB SER 15 0.087 0.346 -3.682 96 HG SER 15 HG SER 15 1.519 1.622 -4.800 97 H ALA 16 H ALA 16 -3.610 2.256 -4.547 98 HA ALA 16 HA ALA 16 -4.324 1.537 -1.819 99 1HB ALA 16 1HB ALA 16 -5.383 3.366 -3.514 100 2HB ALA 16 2HB ALA 16 -6.490 2.013 -3.744 101 3HB ALA 16 3HB ALA 16 -6.230 2.678 -2.130 102 H PHE 17 H PHE 17 -5.264 -0.375 -1.237 103 HA PHE 17 HA PHE 17 -5.876 -2.275 -3.405 104 1HB PHE 17 2HB PHE 17 -4.569 -2.944 -0.756 105 HD1 PHE 17 1HD PHE 17 -2.847 -1.159 -1.576 106 HD2 PHE 17 2HD PHE 17 -3.565 -4.874 -3.517 107 HE1 PHE 17 1HE PHE 17 -0.655 -1.005 -2.676 108 HE2 PHE 17 2HE PHE 17 -1.370 -4.726 -4.619 109 HZ PHE 17 HZ PHE 17 0.088 -2.787 -4.197 110 H THR 18 H THR 18 -7.554 -3.758 -3.010 111 HA THR 18 HA THR 18 -9.723 -2.720 -1.548 112 HB THR 18 HB THR 18 -10.769 -4.972 -2.013 113 HG1 THR 18 1HG THR 18 -9.481 -6.212 -3.621 114 1HG2 THR 18 1HG2 THR 18 -10.620 -2.859 -3.581 115 2HG2 THR 18 2HG2 THR 18 -11.283 -4.379 -4.182 116 3HG2 THR 18 3HG2 THR 18 -9.621 -3.930 -4.563 117 H THR 19 H THR 19 -7.547 -5.461 -0.884 118 HA THR 19 HA THR 19 -8.648 -5.519 1.839 119 HB THR 19 HB THR 19 -8.081 -7.891 1.956 120 HG1 THR 19 1HG THR 19 -7.407 -8.958 0.016 121 1HG2 THR 19 1HG2 THR 19 -10.200 -8.066 1.275 122 2HG2 THR 19 2HG2 THR 19 -9.549 -8.407 -0.328 123 3HG2 THR 19 3HG2 THR 19 -10.011 -6.761 0.104 124 H LYS 20 H LYS 20 -7.282 -5.833 3.563 125 HA LYS 20 HA LYS 20 -4.786 -4.602 3.544 126 1HB LYS 20 2HB LYS 20 -5.911 -6.667 5.443 127 1HG LYS 20 2HG LYS 20 -5.662 -3.703 5.638 128 1HD LYS 20 2HD LYS 20 -6.831 -5.696 7.572 129 1HE LYS 20 2HE LYS 20 -6.655 -2.688 7.707 130 1HZ LYS 20 1HZ LYS 20 -6.909 -2.861 9.878 131 2HZ LYS 20 2HZ LYS 20 -6.743 -4.547 9.774 132 3HZ LYS 20 3HZ LYS 20 -8.282 -3.841 9.686 133 H ALA 21 H ALA 21 -5.711 -7.941 3.117 134 HA ALA 21 HA ALA 21 -3.236 -9.097 3.408 135 1HB ALA 21 1HB ALA 21 -4.169 -10.956 1.985 136 2HB ALA 21 2HB ALA 21 -5.156 -10.496 3.373 137 3HB ALA 21 3HB ALA 21 -5.601 -9.953 1.755 138 H ASN 22 H ASN 22 -4.705 -7.609 0.547 139 HA ASN 22 HA ASN 22 -2.658 -8.372 -1.280 140 1HB ASN 22 2HB ASN 22 -4.577 -6.045 -1.347 141 1HD2 ASN 22 1HD2 ASN 22 -6.512 -6.624 -1.977 142 2HD2 ASN 22 2HD2 ASN 22 -6.921 -8.066 -2.841 143 H CYS 23 H CYS 23 -3.084 -5.542 0.787 144 HA CYS 23 HA CYS 23 -0.846 -4.114 -0.131 145 1HB CYS 23 2HB CYS 23 -2.650 -3.120 1.236 146 HG CYS 23 HG CYS 23 -1.027 -1.142 1.513 147 H ALA 24 H ALA 24 -1.210 -6.555 2.392 148 HA ALA 24 HA ALA 24 1.311 -6.347 3.572 149 1HB ALA 24 1HB ALA 24 -0.139 -7.638 4.791 150 2HB ALA 24 2HB ALA 24 -0.723 -8.513 3.376 151 3HB ALA 24 3HB ALA 24 0.866 -8.882 4.047 152 H ARG 25 H ARG 25 0.270 -8.536 0.930 153 HA ARG 25 HA ARG 25 2.856 -9.647 0.578 154 1HB ARG 25 2HB ARG 25 2.026 -10.556 -1.535 155 1HG ARG 25 2HG ARG 25 -0.548 -9.088 -1.013 156 1HD ARG 25 2HD ARG 25 0.371 -10.843 -3.283 157 HE ARG 25 HE ARG 25 -1.785 -9.020 -3.221 158 1HH1 ARG 25 2HH1 ARG 25 -0.875 -12.244 -4.221 159 2HH1 ARG 25 1HH1 ARG 25 -2.182 -12.414 -5.359 160 1HH2 ARG 25 2HH2 ARG 25 -3.539 -9.242 -4.718 161 2HH2 ARG 25 1HH2 ARG 25 -3.689 -10.706 -5.646 162 H HIS 26 H HIS 26 1.222 -6.896 -0.812 163 HA HIS 26 HA HIS 26 2.956 -6.237 -2.904 164 1HB HIS 26 2HB HIS 26 0.888 -5.091 -2.767 165 HD1 HIS 26 1HD HIS 26 2.502 -3.739 -4.607 166 HD2 HIS 26 2HD HIS 26 2.351 -2.260 -0.714 167 HE1 HIS 26 1HE HIS 26 3.494 -1.395 -4.668 168 H LEU 27 H LEU 27 3.053 -5.454 0.527 169 HA LEU 27 HA LEU 27 4.801 -3.424 0.635 170 1HB LEU 27 2HB LEU 27 3.637 -4.385 2.566 171 HG LEU 27 HG LEU 27 6.608 -4.202 3.055 172 1HD1 LEU 27 1HD1 LEU 27 6.272 -2.080 2.423 173 2HD1 LEU 27 2HD1 LEU 27 4.518 -2.228 2.533 174 3HD1 LEU 27 3HD1 LEU 27 5.469 -1.907 3.985 175 1HD2 LEU 27 1HD2 LEU 27 6.136 -4.812 5.139 176 2HD2 LEU 27 2HD2 LEU 27 5.158 -3.352 5.289 177 3HD2 LEU 27 3HD2 LEU 27 4.409 -4.867 4.783 178 H LYS 28 H LYS 28 5.742 -6.806 0.271 179 HA LYS 28 HA LYS 28 8.417 -6.663 0.868 180 1HB LYS 28 2HB LYS 28 8.750 -8.648 -0.483 181 1HG LYS 28 2HG LYS 28 6.007 -8.173 -1.619 182 1HD LYS 28 2HD LYS 28 8.022 -10.375 -2.065 183 1HE LYS 28 2HE LYS 28 6.345 -11.352 -3.542 184 1HZ LYS 28 1HZ LYS 28 7.787 -10.197 -4.863 185 2HZ LYS 28 2HZ LYS 28 7.437 -8.705 -4.149 186 3HZ LYS 28 3HZ LYS 28 6.344 -9.387 -5.247 187 H VAL 29 H VAL 29 6.846 -5.580 -2.092 188 HA VAL 29 HA VAL 29 9.020 -5.545 -3.802 189 HB VAL 29 HB VAL 29 7.919 -3.887 -5.146 190 1HG1 VAL 29 1HG1 VAL 29 5.588 -4.883 -5.242 191 2HG1 VAL 29 2HG1 VAL 29 6.949 -5.992 -5.428 192 3HG1 VAL 29 3HG1 VAL 29 6.091 -5.900 -3.890 193 1HG2 VAL 29 1HG2 VAL 29 5.585 -3.113 -4.027 194 2HG2 VAL 29 2HG2 VAL 29 6.641 -3.118 -2.615 195 3HG2 VAL 29 3HG2 VAL 29 7.060 -2.145 -4.025 196 H HIS 30 H HIS 30 8.159 -3.236 -1.314 197 HA HIS 30 HA HIS 30 10.023 -1.248 -2.165 198 1HB HIS 30 2HB HIS 30 8.470 -1.578 0.404 199 HD1 HIS 30 1HD HIS 30 8.631 0.865 -2.554 200 HD2 HIS 30 2HD HIS 30 5.893 -1.185 -0.168 201 HE1 HIS 30 1HE HIS 30 6.313 1.580 -3.310 202 H THR 31 H THR 31 11.394 -3.631 -1.902 203 HA THR 31 HA THR 31 13.687 -2.807 -0.689 204 HB THR 31 HB THR 31 12.597 -3.001 1.492 205 HG1 THR 31 1HG THR 31 14.905 -4.005 0.836 206 1HG2 THR 31 1HG2 THR 31 10.971 -4.762 0.998 207 2HG2 THR 31 2HG2 THR 31 11.944 -5.176 2.411 208 3HG2 THR 31 3HG2 THR 31 12.279 -5.937 0.856 209 H ASP 32 H ASP 32 11.735 -5.739 -1.185 210 HA ASP 32 HA ASP 32 13.989 -7.385 -1.800 211 1HB ASP 32 2HB ASP 32 11.947 -8.398 -0.982 212 H THR 33 H THR 33 11.298 -6.391 -3.898 213 HA THR 33 HA THR 33 13.005 -5.429 -5.971 214 HB THR 33 HB THR 33 11.478 -8.006 -6.489 215 HG1 THR 33 1HG THR 33 13.865 -7.754 -5.505 216 1HG2 THR 33 1HG2 THR 33 13.110 -6.270 -8.339 217 2HG2 THR 33 2HG2 THR 33 11.369 -6.538 -8.407 218 3HG2 THR 33 3HG2 THR 33 12.478 -7.866 -8.743 219 H LEU 34 H LEU 34 11.827 -4.018 -7.248 220 HA LEU 34 HA LEU 34 9.143 -3.475 -6.437 221 1HB LEU 34 2HB LEU 34 10.832 -2.289 -8.638 222 HG LEU 34 HG LEU 34 11.700 -1.708 -6.413 223 1HD1 LEU 34 1HD1 LEU 34 12.143 0.370 -7.105 224 2HD1 LEU 34 2HD1 LEU 34 11.098 0.001 -8.478 225 3HD1 LEU 34 3HD1 LEU 34 10.442 0.835 -7.070 226 1HD2 LEU 34 1HD2 LEU 34 9.723 0.013 -5.421 227 2HD2 LEU 34 2HD2 LEU 34 8.903 -1.501 -5.800 228 3HD2 LEU 34 3HD2 LEU 34 10.289 -1.500 -4.710 229 H SER 35 H SER 35 7.341 -4.040 -7.360 230 HA SER 35 HA SER 35 7.113 -4.903 -10.079 231 1HB SER 35 2HB SER 35 8.040 -6.950 -9.059 232 HG SER 35 HG SER 35 5.431 -6.853 -10.010 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -17.021 -5.920 8.556 2 2H GLY 1 2H GLY 1 -18.441 -5.059 8.212 3 3H GLY 1 3H GLY 1 -17.006 -4.223 8.542 4 1HA GLY 1 2HA GLY 1 -17.299 -6.059 6.235 5 2HA GLY 1 1HA GLY 1 -17.646 -4.338 6.132 6 H SER 2 H SER 2 -15.077 -6.137 7.819 7 HA SER 2 HA SER 2 -13.098 -4.235 7.199 8 1HB SER 2 2HB SER 2 -12.785 -7.107 8.105 9 HG SER 2 HG SER 2 -12.586 -6.084 10.176 10 H SER 3 H SER 3 -13.903 -7.355 5.706 11 HA SER 3 HA SER 3 -11.693 -7.392 3.944 12 1HB SER 3 2HB SER 3 -12.972 -9.137 2.735 13 HG SER 3 HG SER 3 -15.062 -8.581 2.827 14 H GLY 4 H GLY 4 -11.322 -6.316 2.137 15 1HA GLY 4 1HA GLY 4 -11.621 -5.017 0.269 16 2HA GLY 4 2HA GLY 4 -13.323 -5.449 0.295 17 H LYS 5 H LYS 5 -11.163 -2.979 0.597 18 HA LYS 5 HA LYS 5 -13.070 -0.997 1.338 19 1HB LYS 5 2HB LYS 5 -12.611 -2.165 3.518 20 1HG LYS 5 2HG LYS 5 -12.022 -0.295 4.929 21 1HD LYS 5 2HD LYS 5 -13.815 0.565 2.664 22 1HE LYS 5 2HE LYS 5 -13.639 1.415 5.553 23 1HZ LYS 5 1HZ LYS 5 -15.936 1.328 4.857 24 2HZ LYS 5 2HZ LYS 5 -15.584 2.232 3.463 25 3HZ LYS 5 3HZ LYS 5 -15.431 2.943 4.994 26 H ARG 6 H ARG 6 -12.323 0.920 0.525 27 HA ARG 6 HA ARG 6 -10.049 0.773 -1.119 28 1HB ARG 6 2HB ARG 6 -11.892 3.072 -0.553 29 1HG ARG 6 2HG ARG 6 -12.946 1.231 -1.758 30 1HD ARG 6 2HD ARG 6 -10.707 1.669 -3.734 31 HE ARG 6 HE ARG 6 -12.150 0.857 -5.268 32 1HH1 ARG 6 2HH1 ARG 6 -13.106 -0.493 -2.171 33 2HH1 ARG 6 1HH1 ARG 6 -14.411 -1.416 -2.845 34 1HH2 ARG 6 2HH2 ARG 6 -13.897 -0.338 -6.130 35 2HH2 ARG 6 1HH2 ARG 6 -14.863 -1.322 -5.073 36 HA PRO 7 HA PRO 7 -8.274 4.404 1.737 37 1HB PRO 7 2HB PRO 7 -8.511 3.758 4.376 38 1HG PRO 7 2HG PRO 7 -9.839 1.831 3.965 39 1HD PRO 7 2HD PRO 7 -11.348 1.783 2.115 40 H PHE 8 H PHE 8 -7.871 1.125 1.539 41 HA PHE 8 HA PHE 8 -5.614 0.809 3.300 42 1HB PHE 8 2HB PHE 8 -6.694 -0.955 1.100 43 HD1 PHE 8 1HD PHE 8 -6.702 -3.395 2.707 44 HD2 PHE 8 2HD PHE 8 -8.073 0.513 3.644 45 HE1 PHE 8 1HE PHE 8 -8.312 -4.353 4.280 46 HE2 PHE 8 2HE PHE 8 -9.687 -0.423 5.230 47 HZ PHE 8 HZ PHE 8 -9.823 -2.849 5.556 48 H VAL 9 H VAL 9 -5.037 2.968 1.838 49 HA VAL 9 HA VAL 9 -3.567 2.292 -0.535 50 HB VAL 9 HB VAL 9 -4.658 4.539 -0.170 51 1HG1 VAL 9 1HG1 VAL 9 -4.256 5.527 1.783 52 2HG1 VAL 9 2HG1 VAL 9 -2.824 4.539 2.079 53 3HG1 VAL 9 3HG1 VAL 9 -2.701 5.993 1.090 54 1HG2 VAL 9 1HG2 VAL 9 -2.125 3.927 -1.334 55 2HG2 VAL 9 2HG2 VAL 9 -3.344 5.084 -1.865 56 3HG2 VAL 9 3HG2 VAL 9 -2.103 5.577 -0.712 57 H CYS 10 H CYS 10 -1.388 2.039 -0.734 58 HA CYS 10 HA CYS 10 -0.025 0.914 1.385 59 1HB CYS 10 2HB CYS 10 0.554 0.465 -0.918 60 H ARG 11 H ARG 11 1.215 1.621 2.914 61 HA ARG 11 HA ARG 11 1.277 4.343 3.633 62 1HB ARG 11 2HB ARG 11 2.736 3.538 5.481 63 1HG ARG 11 2HG ARG 11 2.460 0.878 4.096 64 1HD ARG 11 2HD ARG 11 3.594 -0.049 6.060 65 HE ARG 11 HE ARG 11 1.393 1.008 7.484 66 1HH1 ARG 11 2HH1 ARG 11 2.156 -0.995 4.710 67 2HH1 ARG 11 1HH1 ARG 11 0.588 -1.728 4.652 68 1HH2 ARG 11 2HH2 ARG 11 -0.651 0.024 7.425 69 2HH2 ARG 11 1HH2 ARG 11 -1.010 -1.166 6.205 70 H ILE 12 H ILE 12 3.595 2.190 2.080 71 HA ILE 12 HA ILE 12 5.743 4.081 2.322 72 HB ILE 12 HB ILE 12 5.643 1.604 0.597 73 1HG1 ILE 12 2HG1 ILE 12 5.253 1.030 2.944 74 1HG2 ILE 12 1HG2 ILE 12 7.490 2.640 -0.209 75 2HG2 ILE 12 2HG2 ILE 12 7.722 3.605 1.249 76 3HG2 ILE 12 3HG2 ILE 12 8.227 1.915 1.222 77 1HD1 ILE 12 1HD1 ILE 12 6.237 2.989 4.029 78 2HD1 ILE 12 2HD1 ILE 12 6.866 1.476 4.678 79 3HD1 ILE 12 3HD1 ILE 12 7.842 2.427 3.560 80 H CYS 13 H CYS 13 3.842 2.822 -0.456 81 HA CYS 13 HA CYS 13 4.709 5.229 -1.886 82 1HB CYS 13 2HB CYS 13 4.102 4.174 -3.990 83 H LEU 14 H LEU 14 2.063 4.078 -3.438 84 HA LEU 14 HA LEU 14 0.004 5.172 -1.760 85 1HB LEU 14 2HB LEU 14 0.863 6.629 -4.251 86 HG LEU 14 HG LEU 14 1.791 7.541 -2.147 87 1HD1 LEU 14 1HD1 LEU 14 1.583 9.198 -3.741 88 2HD1 LEU 14 2HD1 LEU 14 -0.176 9.074 -3.792 89 3HD1 LEU 14 3HD1 LEU 14 0.613 9.856 -2.423 90 1HD2 LEU 14 1HD2 LEU 14 -0.681 6.868 -1.093 91 2HD2 LEU 14 2HD2 LEU 14 0.578 7.812 -0.294 92 3HD2 LEU 14 3HD2 LEU 14 -0.717 8.631 -1.172 93 H SER 15 H SER 15 0.541 2.663 -2.962 94 HA SER 15 HA SER 15 -1.452 2.393 -5.077 95 1HB SER 15 2HB SER 15 0.140 0.261 -3.618 96 HG SER 15 HG SER 15 1.592 1.514 -4.745 97 H ALA 16 H ALA 16 -3.574 2.204 -4.524 98 HA ALA 16 HA ALA 16 -4.223 1.457 -1.769 99 1HB ALA 16 1HB ALA 16 -5.304 3.360 -3.408 100 2HB ALA 16 2HB ALA 16 -6.478 2.049 -3.533 101 3HB ALA 16 3HB ALA 16 -6.066 2.714 -1.951 102 H PHE 17 H PHE 17 -5.195 -0.425 -1.190 103 HA PHE 17 HA PHE 17 -6.081 -2.226 -3.352 104 1HB PHE 17 2HB PHE 17 -4.604 -3.117 -0.857 105 HD1 PHE 17 1HD PHE 17 -2.888 -1.266 -1.631 106 HD2 PHE 17 2HD PHE 17 -3.736 -4.857 -3.760 107 HE1 PHE 17 1HE PHE 17 -0.717 -1.103 -2.774 108 HE2 PHE 17 2HE PHE 17 -1.565 -4.692 -4.903 109 HZ PHE 17 HZ PHE 17 -0.050 -2.815 -4.411 110 H THR 18 H THR 18 -7.782 -3.650 -2.794 111 HA THR 18 HA THR 18 -9.681 -2.535 -1.030 112 HB THR 18 HB THR 18 -10.950 -4.673 -1.434 113 HG1 THR 18 1HG THR 18 -8.962 -5.249 -3.373 114 1HG2 THR 18 1HG2 THR 18 -10.647 -2.494 -3.002 115 2HG2 THR 18 2HG2 THR 18 -11.741 -3.826 -3.375 116 3HG2 THR 18 3HG2 THR 18 -10.142 -3.761 -4.121 117 H THR 19 H THR 19 -7.622 -5.424 -0.726 118 HA THR 19 HA THR 19 -8.488 -5.584 2.074 119 HB THR 19 HB THR 19 -7.805 -7.949 2.022 120 HG1 THR 19 1HG THR 19 -7.522 -8.723 -0.306 121 1HG2 THR 19 1HG2 THR 19 -9.659 -7.352 -0.282 122 2HG2 THR 19 2HG2 THR 19 -10.130 -7.215 1.412 123 3HG2 THR 19 3HG2 THR 19 -9.651 -8.779 0.752 124 H LYS 20 H LYS 20 -7.013 -5.939 3.690 125 HA LYS 20 HA LYS 20 -4.481 -4.736 3.582 126 1HB LYS 20 2HB LYS 20 -5.594 -6.831 5.452 127 1HG LYS 20 2HG LYS 20 -5.193 -3.905 5.805 128 1HD LYS 20 2HD LYS 20 -6.425 -5.962 7.625 129 1HE LYS 20 2HE LYS 20 -6.591 -4.121 9.244 130 1HZ LYS 20 1HZ LYS 20 -8.105 -2.759 7.347 131 2HZ LYS 20 2HZ LYS 20 -8.645 -3.871 8.507 132 3HZ LYS 20 3HZ LYS 20 -8.203 -4.408 6.960 133 H ALA 21 H ALA 21 -5.586 -8.006 3.122 134 HA ALA 21 HA ALA 21 -3.191 -9.327 3.240 135 1HB ALA 21 1HB ALA 21 -4.753 -10.922 3.101 136 2HB ALA 21 2HB ALA 21 -5.858 -9.883 2.199 137 3HB ALA 21 3HB ALA 21 -4.582 -10.763 1.352 138 H ASN 22 H ASN 22 -4.696 -7.686 0.472 139 HA ASN 22 HA ASN 22 -2.683 -8.457 -1.411 140 1HB ASN 22 2HB ASN 22 -4.653 -6.173 -1.447 141 1HD2 ASN 22 1HD2 ASN 22 -6.590 -6.817 -2.052 142 2HD2 ASN 22 2HD2 ASN 22 -6.959 -8.265 -2.923 143 H CYS 23 H CYS 23 -3.086 -5.672 0.721 144 HA CYS 23 HA CYS 23 -0.868 -4.199 -0.203 145 1HB CYS 23 2HB CYS 23 -2.640 -3.235 1.220 146 HG CYS 23 HG CYS 23 -0.756 -1.396 1.335 147 H ALA 24 H ALA 24 -1.208 -6.702 2.267 148 HA ALA 24 HA ALA 24 1.355 -6.547 3.381 149 1HB ALA 24 1HB ALA 24 0.820 -9.122 3.772 150 2HB ALA 24 2HB ALA 24 0.010 -7.839 4.674 151 3HB ALA 24 3HB ALA 24 -0.791 -8.585 3.291 152 H ARG 25 H ARG 25 0.177 -8.560 0.669 153 HA ARG 25 HA ARG 25 2.710 -9.782 0.244 154 1HB ARG 25 2HB ARG 25 1.824 -10.639 -1.843 155 1HG ARG 25 2HG ARG 25 -0.664 -9.013 -1.402 156 1HD ARG 25 2HD ARG 25 0.230 -10.881 -3.591 157 HE ARG 25 HE ARG 25 -1.728 -8.864 -3.748 158 1HH1 ARG 25 2HH1 ARG 25 -1.235 -12.257 -4.484 159 2HH1 ARG 25 1HH1 ARG 25 -2.418 -12.280 -5.760 160 1HH2 ARG 25 2HH2 ARG 25 -3.294 -8.911 -5.468 161 2HH2 ARG 25 1HH2 ARG 25 -3.570 -10.411 -6.302 162 H HIS 26 H HIS 26 1.148 -6.916 -0.967 163 HA HIS 26 HA HIS 26 2.894 -6.181 -3.036 164 1HB HIS 26 2HB HIS 26 0.841 -5.010 -2.803 165 HD1 HIS 26 1HD HIS 26 2.477 -3.644 -4.602 166 HD2 HIS 26 2HD HIS 26 2.331 -2.278 -0.671 167 HE1 HIS 26 1HE HIS 26 3.500 -1.317 -4.593 168 H LEU 27 H LEU 27 2.993 -5.583 0.428 169 HA LEU 27 HA LEU 27 4.785 -3.601 0.647 170 1HB LEU 27 2HB LEU 27 3.548 -4.626 2.509 171 HG LEU 27 HG LEU 27 6.510 -4.446 3.067 172 1HD1 LEU 27 1HD1 LEU 27 4.711 -2.290 3.904 173 2HD1 LEU 27 2HD1 LEU 27 6.306 -2.215 3.158 174 3HD1 LEU 27 3HD1 LEU 27 4.879 -2.471 2.157 175 1HD2 LEU 27 1HD2 LEU 27 4.846 -5.628 4.725 176 2HD2 LEU 27 2HD2 LEU 27 6.068 -4.503 5.315 177 3HD2 LEU 27 3HD2 LEU 27 4.400 -3.966 5.110 178 H LYS 28 H LYS 28 5.668 -6.981 0.108 179 HA LYS 28 HA LYS 28 8.328 -6.928 0.797 180 1HB LYS 28 2HB LYS 28 8.680 -8.792 -0.753 181 1HG LYS 28 2HG LYS 28 5.889 -8.246 -1.730 182 1HD LYS 28 2HD LYS 28 6.493 -10.662 -1.465 183 1HE LYS 28 2HE LYS 28 7.972 -11.629 -3.196 184 1HZ LYS 28 1HZ LYS 28 10.064 -10.244 -2.061 185 2HZ LYS 28 2HZ LYS 28 9.425 -11.732 -1.559 186 3HZ LYS 28 3HZ LYS 28 8.861 -10.296 -0.864 187 H VAL 29 H VAL 29 6.903 -5.612 -2.138 188 HA VAL 29 HA VAL 29 9.200 -5.412 -3.682 189 HB VAL 29 HB VAL 29 8.144 -3.609 -4.914 190 1HG1 VAL 29 1HG1 VAL 29 5.686 -5.005 -4.621 191 2HG1 VAL 29 2HG1 VAL 29 6.901 -5.150 -5.891 192 3HG1 VAL 29 3HG1 VAL 29 7.013 -6.152 -4.444 193 1HG2 VAL 29 1HG2 VAL 29 6.844 -2.103 -3.941 194 2HG2 VAL 29 2HG2 VAL 29 5.635 -3.349 -3.621 195 3HG2 VAL 29 3HG2 VAL 29 6.896 -3.017 -2.432 196 H HIS 30 H HIS 30 8.072 -3.299 -1.086 197 HA HIS 30 HA HIS 30 10.177 -1.364 -1.517 198 1HB HIS 30 2HB HIS 30 8.261 -1.672 0.800 199 HD1 HIS 30 1HD HIS 30 8.722 0.739 -2.169 200 HD2 HIS 30 2HD HIS 30 5.783 -1.181 0.070 201 HE1 HIS 30 1HE HIS 30 6.476 1.544 -3.060 202 H THR 31 H THR 31 10.889 -4.214 -0.852 203 HA THR 31 HA THR 31 13.103 -3.700 0.805 204 HB THR 31 HB THR 31 11.464 -3.571 2.624 205 HG1 THR 31 1HG THR 31 13.117 -5.885 2.598 206 1HG2 THR 31 1HG2 THR 31 10.341 -5.828 3.243 207 2HG2 THR 31 2HG2 THR 31 10.568 -6.213 1.537 208 3HG2 THR 31 3HG2 THR 31 9.607 -4.810 2.004 209 H ASP 32 H ASP 32 12.329 -4.979 -1.644 210 HA ASP 32 HA ASP 32 14.046 -7.176 -1.672 211 1HB ASP 32 2HB ASP 32 12.299 -8.368 -0.436 212 H THR 33 H THR 33 14.683 -7.379 -3.748 213 HA THR 33 HA THR 33 13.409 -5.739 -5.708 214 HB THR 33 HB THR 33 15.236 -6.640 -7.217 215 HG1 THR 33 1HG THR 33 15.688 -8.592 -6.166 216 1HG2 THR 33 1HG2 THR 33 15.323 -4.762 -5.132 217 2HG2 THR 33 2HG2 THR 33 16.382 -4.850 -6.541 218 3HG2 THR 33 3HG2 THR 33 16.839 -5.659 -5.040 219 H LEU 34 H LEU 34 12.095 -6.313 -7.336 220 HA LEU 34 HA LEU 34 11.003 -8.955 -7.331 221 1HB LEU 34 2HB LEU 34 10.494 -6.595 -9.151 222 HG LEU 34 HG LEU 34 9.674 -6.176 -6.866 223 1HD1 LEU 34 1HD1 LEU 34 7.796 -5.215 -7.643 224 2HD1 LEU 34 2HD1 LEU 34 8.345 -5.825 -9.204 225 3HD1 LEU 34 3HD1 LEU 34 7.155 -6.732 -8.271 226 1HD2 LEU 34 1HD2 LEU 34 9.396 -8.478 -6.138 227 2HD2 LEU 34 2HD2 LEU 34 7.884 -7.591 -5.957 228 3HD2 LEU 34 3HD2 LEU 34 8.096 -8.712 -7.303 229 H SER 35 H SER 35 11.535 -10.568 -8.561 230 HA SER 35 HA SER 35 12.683 -10.302 -11.171 231 1HB SER 35 2HB SER 35 14.357 -11.540 -8.958 232 HG SER 35 HG SER 35 14.255 -9.024 -9.925 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -13.860 -12.165 3.246 2 2H GLY 1 2H GLY 1 -14.673 -11.060 2.243 3 3H GLY 1 3H GLY 1 -12.982 -11.041 2.325 4 1HA GLY 1 2HA GLY 1 -13.705 -13.623 1.619 5 2HA GLY 1 1HA GLY 1 -14.647 -12.531 0.617 6 H SER 2 H SER 2 -13.650 -12.652 -1.297 7 HA SER 2 HA SER 2 -10.867 -12.878 -1.715 8 1HB SER 2 2HB SER 2 -11.452 -12.211 -4.063 9 HG SER 2 HG SER 2 -13.581 -11.767 -4.549 10 H SER 3 H SER 3 -13.068 -10.123 -1.781 11 HA SER 3 HA SER 3 -11.077 -8.316 -0.849 12 1HB SER 3 2HB SER 3 -12.068 -7.976 -3.695 13 HG SER 3 HG SER 3 -9.956 -9.224 -2.810 14 H GLY 4 H GLY 4 -12.121 -6.925 0.400 15 1HA GLY 4 1HA GLY 4 -15.010 -6.668 0.231 16 2HA GLY 4 2HA GLY 4 -13.962 -5.935 1.439 17 H LYS 5 H LYS 5 -14.268 -3.845 1.378 18 HA LYS 5 HA LYS 5 -14.745 -2.335 -1.033 19 1HB LYS 5 2HB LYS 5 -14.612 -0.368 0.459 20 1HG LYS 5 2HG LYS 5 -14.142 -2.374 2.651 21 1HD LYS 5 2HD LYS 5 -14.085 -0.371 4.116 22 1HE LYS 5 2HE LYS 5 -16.136 -1.778 3.938 23 1HZ LYS 5 1HZ LYS 5 -16.838 0.234 1.903 24 2HZ LYS 5 2HZ LYS 5 -18.047 -0.498 2.839 25 3HZ LYS 5 3HZ LYS 5 -17.048 -1.454 1.859 26 H ARG 6 H ARG 6 -12.889 -0.186 -0.064 27 HA ARG 6 HA ARG 6 -10.267 -1.286 -0.539 28 1HB ARG 6 2HB ARG 6 -11.296 -1.201 -2.802 29 1HG ARG 6 2HG ARG 6 -9.090 0.824 -2.541 30 1HD ARG 6 2HD ARG 6 -9.952 -1.030 -4.751 31 HE ARG 6 HE ARG 6 -7.386 0.034 -4.348 32 1HH1 ARG 6 2HH1 ARG 6 -9.839 -0.248 -6.824 33 2HH1 ARG 6 1HH1 ARG 6 -8.695 -0.183 -8.136 34 1HH2 ARG 6 2HH2 ARG 6 -5.880 0.109 -6.078 35 2HH2 ARG 6 1HH2 ARG 6 -6.463 0.012 -7.713 36 HA PRO 7 HA PRO 7 -10.311 2.777 1.693 37 1HB PRO 7 2HB PRO 7 -9.604 1.509 4.126 38 1HG PRO 7 2HG PRO 7 -10.706 -0.482 4.143 39 1HD PRO 7 2HD PRO 7 -9.571 -0.988 2.196 40 H PHE 8 H PHE 8 -8.187 0.037 1.900 41 HA PHE 8 HA PHE 8 -6.108 1.322 3.262 42 1HB PHE 8 2HB PHE 8 -5.917 -1.212 1.630 43 HD1 PHE 8 1HD PHE 8 -6.803 0.074 5.025 44 HD2 PHE 8 2HD PHE 8 -7.166 -3.043 2.157 45 HE1 PHE 8 1HE PHE 8 -8.409 -1.078 6.487 46 HE2 PHE 8 2HE PHE 8 -8.763 -4.210 3.612 47 HZ PHE 8 HZ PHE 8 -9.392 -3.226 5.783 48 H VAL 9 H VAL 9 -4.303 2.322 2.606 49 HA VAL 9 HA VAL 9 -3.541 2.153 -0.212 50 HB VAL 9 HB VAL 9 -4.729 4.321 0.373 51 1HG1 VAL 9 1HG1 VAL 9 -2.165 5.186 1.630 52 2HG1 VAL 9 2HG1 VAL 9 -3.754 5.953 1.684 53 3HG1 VAL 9 3HG1 VAL 9 -3.457 4.473 2.598 54 1HG2 VAL 9 1HG2 VAL 9 -1.916 4.714 -0.610 55 2HG2 VAL 9 2HG2 VAL 9 -3.173 3.942 -1.576 56 3HG2 VAL 9 3HG2 VAL 9 -3.360 5.618 -1.062 57 H CYS 10 H CYS 10 -1.364 1.953 -0.534 58 HA CYS 10 HA CYS 10 0.162 0.930 1.553 59 1HB CYS 10 2HB CYS 10 0.569 0.361 -0.772 60 H ARG 11 H ARG 11 1.524 1.747 2.951 61 HA ARG 11 HA ARG 11 1.567 4.509 3.447 62 1HB ARG 11 2HB ARG 11 3.013 4.040 5.315 63 1HG ARG 11 2HG ARG 11 4.444 2.295 4.153 64 1HD ARG 11 2HD ARG 11 2.832 0.661 3.458 65 HE ARG 11 HE ARG 11 1.645 0.994 5.980 66 1HH1 ARG 11 2HH1 ARG 11 2.457 -1.596 3.756 67 2HH1 ARG 11 1HH1 ARG 11 1.206 -2.646 4.338 68 1HH2 ARG 11 2HH2 ARG 11 0.028 -0.390 6.744 69 2HH2 ARG 11 1HH2 ARG 11 -0.166 -1.969 6.041 70 H ILE 12 H ILE 12 3.878 2.311 1.931 71 HA ILE 12 HA ILE 12 5.984 4.253 1.971 72 HB ILE 12 HB ILE 12 5.849 1.689 0.381 73 1HG1 ILE 12 2HG1 ILE 12 5.623 1.257 2.782 74 1HG2 ILE 12 1HG2 ILE 12 8.492 2.399 1.089 75 2HG2 ILE 12 2HG2 ILE 12 7.770 2.352 -0.521 76 3HG2 ILE 12 3HG2 ILE 12 7.732 3.843 0.421 77 1HD1 ILE 12 1HD1 ILE 12 7.646 3.331 3.026 78 2HD1 ILE 12 2HD1 ILE 12 6.480 2.730 4.207 79 3HD1 ILE 12 3HD1 ILE 12 8.006 1.877 3.959 80 H CYS 13 H CYS 13 4.001 2.859 -0.664 81 HA CYS 13 HA CYS 13 4.772 5.186 -2.258 82 1HB CYS 13 2HB CYS 13 3.867 4.072 -4.230 83 H LEU 14 H LEU 14 1.933 4.114 -3.472 84 HA LEU 14 HA LEU 14 0.099 5.157 -1.562 85 1HB LEU 14 2HB LEU 14 0.690 6.805 -4.016 86 HG LEU 14 HG LEU 14 1.803 7.567 -1.935 87 1HD1 LEU 14 1HD1 LEU 14 1.591 9.534 -2.949 88 2HD1 LEU 14 2HD1 LEU 14 0.022 9.081 -3.617 89 3HD1 LEU 14 3HD1 LEU 14 0.123 9.792 -2.006 90 1HD2 LEU 14 1HD2 LEU 14 -0.431 8.647 -0.568 91 2HD2 LEU 14 2HD2 LEU 14 -0.732 6.926 -0.813 92 3HD2 LEU 14 3HD2 LEU 14 0.734 7.456 0.011 93 H SER 15 H SER 15 0.482 2.741 -2.920 94 HA SER 15 HA SER 15 -1.561 2.571 -4.965 95 1HB SER 15 2HB SER 15 -0.001 0.398 -3.547 96 HG SER 15 HG SER 15 1.481 1.503 -4.688 97 H ALA 16 H ALA 16 -3.676 2.317 -4.513 98 HA ALA 16 HA ALA 16 -4.464 1.680 -1.784 99 1HB ALA 16 1HB ALA 16 -6.622 2.395 -2.331 100 2HB ALA 16 2HB ALA 16 -5.568 3.475 -3.242 101 3HB ALA 16 3HB ALA 16 -6.371 2.132 -4.059 102 H PHE 17 H PHE 17 -5.188 -0.276 -1.127 103 HA PHE 17 HA PHE 17 -5.782 -2.257 -3.226 104 1HB PHE 17 2HB PHE 17 -4.441 -2.815 -0.574 105 HD1 PHE 17 1HD PHE 17 -3.481 -4.903 -3.206 106 HD2 PHE 17 2HD PHE 17 -2.783 -1.038 -1.580 107 HE1 PHE 17 1HE PHE 17 -1.297 -4.831 -4.332 108 HE2 PHE 17 2HE PHE 17 -0.602 -0.956 -2.710 109 HZ PHE 17 HZ PHE 17 0.144 -2.854 -4.086 110 H THR 18 H THR 18 -7.467 -3.608 -2.939 111 HA THR 18 HA THR 18 -9.697 -2.677 -1.536 112 HB THR 18 HB THR 18 -10.687 -4.910 -2.069 113 HG1 THR 18 1HG THR 18 -9.375 -6.352 -3.287 114 1HG2 THR 18 1HG2 THR 18 -9.822 -4.566 -4.672 115 2HG2 THR 18 2HG2 THR 18 -9.578 -2.978 -3.947 116 3HG2 THR 18 3HG2 THR 18 -11.174 -3.725 -3.911 117 H THR 19 H THR 19 -7.269 -5.062 -0.675 118 HA THR 19 HA THR 19 -8.394 -5.215 2.028 119 HB THR 19 HB THR 19 -7.967 -7.639 2.094 120 HG1 THR 19 1HG THR 19 -7.779 -8.513 -0.242 121 1HG2 THR 19 1HG2 THR 19 -9.646 -7.745 -0.236 122 2HG2 THR 19 2HG2 THR 19 -10.070 -6.354 0.761 123 3HG2 THR 19 3HG2 THR 19 -10.075 -7.972 1.462 124 H LYS 20 H LYS 20 -6.971 -5.789 3.635 125 HA LYS 20 HA LYS 20 -4.313 -4.860 3.515 126 1HB LYS 20 2HB LYS 20 -5.691 -6.766 5.410 127 1HG LYS 20 2HG LYS 20 -4.913 -3.912 5.723 128 1HD LYS 20 2HD LYS 20 -6.567 -5.727 7.462 129 1HE LYS 20 2HE LYS 20 -5.822 -2.831 7.837 130 1HZ LYS 20 1HZ LYS 20 -7.505 -4.644 9.472 131 2HZ LYS 20 2HZ LYS 20 -7.345 -2.972 9.718 132 3HZ LYS 20 3HZ LYS 20 -6.003 -3.991 9.921 133 H ALA 21 H ALA 21 -5.812 -7.935 2.968 134 HA ALA 21 HA ALA 21 -3.615 -9.571 3.101 135 1HB ALA 21 1HB ALA 21 -6.280 -9.708 1.854 136 2HB ALA 21 2HB ALA 21 -5.070 -10.801 1.177 137 3HB ALA 21 3HB ALA 21 -5.453 -10.871 2.897 138 H ASN 22 H ASN 22 -4.854 -7.675 0.375 139 HA ASN 22 HA ASN 22 -2.855 -8.545 -1.484 140 1HB ASN 22 2HB ASN 22 -4.551 -6.043 -1.504 141 1HD2 ASN 22 1HD2 ASN 22 -6.555 -6.324 -2.063 142 2HD2 ASN 22 2HD2 ASN 22 -7.220 -7.711 -2.829 143 H CYS 23 H CYS 23 -3.160 -5.809 0.723 144 HA CYS 23 HA CYS 23 -0.907 -4.380 -0.117 145 1HB CYS 23 2HB CYS 23 -2.659 -3.443 1.342 146 HG CYS 23 HG CYS 23 -0.946 -1.546 1.695 147 H ALA 24 H ALA 24 -1.238 -6.951 2.296 148 HA ALA 24 HA ALA 24 1.309 -6.802 3.415 149 1HB ALA 24 1HB ALA 24 -0.927 -8.443 3.676 150 2HB ALA 24 2HB ALA 24 0.407 -9.527 3.279 151 3HB ALA 24 3HB ALA 24 0.529 -8.450 4.670 152 H ARG 25 H ARG 25 0.200 -8.754 0.642 153 HA ARG 25 HA ARG 25 2.723 -9.972 0.176 154 1HB ARG 25 2HB ARG 25 1.838 -10.707 -1.944 155 1HG ARG 25 2HG ARG 25 -0.455 -8.805 -1.523 156 1HD ARG 25 2HD ARG 25 0.071 -10.851 -3.670 157 HE ARG 25 HE ARG 25 -1.312 -8.459 -3.964 158 1HH1 ARG 25 2HH1 ARG 25 -2.037 -11.876 -4.285 159 2HH1 ARG 25 1HH1 ARG 25 -3.125 -11.636 -5.616 160 1HH2 ARG 25 2HH2 ARG 25 -2.744 -8.159 -5.692 161 2HH2 ARG 25 1HH2 ARG 25 -3.558 -9.524 -6.392 162 H HIS 26 H HIS 26 1.255 -6.979 -0.787 163 HA HIS 26 HA HIS 26 3.017 -6.223 -2.851 164 1HB HIS 26 2HB HIS 26 0.918 -5.095 -2.633 165 HD1 HIS 26 1HD HIS 26 2.583 -3.843 -4.467 166 HD2 HIS 26 2HD HIS 26 2.375 -2.261 -0.626 167 HE1 HIS 26 1HE HIS 26 3.524 -1.480 -4.593 168 H LEU 27 H LEU 27 3.003 -5.518 0.613 169 HA LEU 27 HA LEU 27 4.728 -3.492 0.753 170 1HB LEU 27 2HB LEU 27 3.506 -4.454 2.657 171 HG LEU 27 HG LEU 27 6.449 -4.135 3.275 172 1HD1 LEU 27 1HD1 LEU 27 4.296 -2.045 3.462 173 2HD1 LEU 27 2HD1 LEU 27 6.044 -1.830 3.571 174 3HD1 LEU 27 3HD1 LEU 27 5.299 -2.250 2.027 175 1HD2 LEU 27 1HD2 LEU 27 4.154 -4.740 4.923 176 2HD2 LEU 27 2HD2 LEU 27 5.862 -4.666 5.357 177 3HD2 LEU 27 3HD2 LEU 27 4.878 -3.200 5.382 178 H LYS 28 H LYS 28 5.760 -6.850 0.478 179 HA LYS 28 HA LYS 28 8.439 -6.616 1.096 180 1HB LYS 28 2HB LYS 28 8.810 -8.600 -0.289 181 1HG LYS 28 2HG LYS 28 5.952 -8.292 -1.177 182 1HD LYS 28 2HD LYS 28 6.642 -10.616 -0.807 183 1HE LYS 28 2HE LYS 28 8.820 -9.968 -2.788 184 1HZ LYS 28 1HZ LYS 28 7.790 -12.207 -3.023 185 2HZ LYS 28 2HZ LYS 28 8.299 -12.561 -1.447 186 3HZ LYS 28 3HZ LYS 28 9.443 -12.226 -2.651 187 H VAL 29 H VAL 29 6.851 -5.632 -1.890 188 HA VAL 29 HA VAL 29 9.037 -5.574 -3.585 189 HB VAL 29 HB VAL 29 7.916 -3.891 -4.908 190 1HG1 VAL 29 1HG1 VAL 29 7.092 -6.077 -5.199 191 2HG1 VAL 29 2HG1 VAL 29 6.123 -5.988 -3.727 192 3HG1 VAL 29 3HG1 VAL 29 5.685 -5.013 -5.130 193 1HG2 VAL 29 1HG2 VAL 29 6.758 -2.258 -3.961 194 2HG2 VAL 29 2HG2 VAL 29 5.498 -3.427 -3.560 195 3HG2 VAL 29 3HG2 VAL 29 6.786 -3.086 -2.403 196 H HIS 30 H HIS 30 8.099 -3.222 -1.139 197 HA HIS 30 HA HIS 30 10.132 -1.336 -1.915 198 1HB HIS 30 2HB HIS 30 8.437 -1.462 0.583 199 HD1 HIS 30 1HD HIS 30 8.653 0.681 -2.612 200 HD2 HIS 30 2HD HIS 30 5.887 -1.021 -0.002 201 HE1 HIS 30 1HE HIS 30 6.357 1.468 -3.359 202 H THR 31 H THR 31 10.913 -4.123 -1.120 203 HA THR 31 HA THR 31 13.338 -3.518 0.085 204 HB THR 31 HB THR 31 12.061 -3.088 2.126 205 HG1 THR 31 1HG THR 31 13.648 -5.452 2.149 206 1HG2 THR 31 1HG2 THR 31 11.219 -5.474 3.133 207 2HG2 THR 31 2HG2 THR 31 10.793 -5.646 1.429 208 3HG2 THR 31 3HG2 THR 31 10.168 -4.285 2.365 209 H ASP 32 H ASP 32 12.230 -5.103 -2.024 210 HA ASP 32 HA ASP 32 13.825 -7.427 -1.757 211 1HB ASP 32 2HB ASP 32 11.754 -8.111 -0.455 212 H THR 33 H THR 33 14.064 -8.485 -3.771 213 HA THR 33 HA THR 33 13.699 -6.704 -5.950 214 HB THR 33 HB THR 33 14.880 -8.482 -7.263 215 HG1 THR 33 1HG THR 33 13.994 -10.099 -5.491 216 1HG2 THR 33 1HG2 THR 33 15.867 -6.911 -5.100 217 2HG2 THR 33 2HG2 THR 33 16.700 -7.408 -6.572 218 3HG2 THR 33 3HG2 THR 33 16.754 -8.435 -5.140 219 H LEU 34 H LEU 34 12.379 -6.775 -7.630 220 HA LEU 34 HA LEU 34 10.096 -8.516 -7.498 221 1HB LEU 34 2HB LEU 34 10.870 -6.414 -9.523 222 HG LEU 34 HG LEU 34 10.409 -5.423 -7.320 223 1HD1 LEU 34 1HD1 LEU 34 9.731 -3.853 -8.789 224 2HD1 LEU 34 2HD1 LEU 34 8.715 -4.979 -9.687 225 3HD1 LEU 34 3HD1 LEU 34 8.129 -4.272 -8.182 226 1HD2 LEU 34 1HD2 LEU 34 7.858 -5.658 -6.691 227 2HD2 LEU 34 2HD2 LEU 34 8.045 -7.211 -7.505 228 3HD2 LEU 34 3HD2 LEU 34 9.058 -6.814 -6.117 229 H SER 35 H SER 35 12.346 -10.041 -7.862 230 HA SER 35 HA SER 35 11.715 -11.447 -10.274 231 1HB SER 35 2HB SER 35 13.220 -9.704 -11.173 232 HG SER 35 HG SER 35 14.278 -12.325 -11.005 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -16.650 -9.783 4.812 2 2H GLY 1 2H GLY 1 -16.946 -8.803 3.462 3 3H GLY 1 3H GLY 1 -18.240 -9.525 4.289 4 1HA GLY 1 2HA GLY 1 -18.010 -7.146 4.793 5 2HA GLY 1 1HA GLY 1 -17.884 -8.181 6.207 6 H SER 2 H SER 2 -15.318 -9.096 6.057 7 HA SER 2 HA SER 2 -13.842 -6.851 6.981 8 1HB SER 2 2HB SER 2 -12.928 -9.673 6.368 9 HG SER 2 HG SER 2 -13.216 -9.958 8.606 10 H SER 3 H SER 3 -12.304 -5.665 6.023 11 HA SER 3 HA SER 3 -11.125 -4.633 4.398 12 1HB SER 3 2HB SER 3 -10.977 -7.402 3.175 13 HG SER 3 HG SER 3 -9.980 -7.338 5.197 14 H GLY 4 H GLY 4 -11.361 -5.748 1.470 15 1HA GLY 4 1HA GLY 4 -12.754 -5.416 -0.346 16 2HA GLY 4 2HA GLY 4 -14.109 -5.269 0.764 17 H LYS 5 H LYS 5 -13.309 -3.157 2.308 18 HA LYS 5 HA LYS 5 -13.926 -0.861 0.749 19 1HB LYS 5 2HB LYS 5 -14.321 -1.306 3.252 20 1HG LYS 5 2HG LYS 5 -13.071 1.332 2.532 21 1HD LYS 5 2HD LYS 5 -13.054 0.996 4.950 22 1HE LYS 5 2HE LYS 5 -16.019 0.521 4.703 23 1HZ LYS 5 1HZ LYS 5 -14.189 0.864 6.971 24 2HZ LYS 5 2HZ LYS 5 -15.485 -0.218 7.128 25 3HZ LYS 5 3HZ LYS 5 -15.783 1.415 6.780 26 H ARG 6 H ARG 6 -12.471 0.656 -0.191 27 HA ARG 6 HA ARG 6 -9.741 -0.369 -0.297 28 1HB ARG 6 2HB ARG 6 -11.191 1.458 -2.196 29 1HG ARG 6 2HG ARG 6 -10.491 -1.455 -2.450 30 1HD ARG 6 2HD ARG 6 -10.260 -0.301 -4.567 31 HE ARG 6 HE ARG 6 -12.442 1.258 -3.758 32 1HH1 ARG 6 2HH1 ARG 6 -11.196 -0.339 -6.614 33 2HH1 ARG 6 1HH1 ARG 6 -12.012 0.728 -7.723 34 1HH2 ARG 6 2HH2 ARG 6 -13.487 2.674 -5.189 35 2HH2 ARG 6 1HH2 ARG 6 -13.312 2.457 -6.908 36 HA PRO 7 HA PRO 7 -8.636 3.915 1.190 37 1HB PRO 7 2HB PRO 7 -8.877 3.908 3.871 38 1HG PRO 7 2HG PRO 7 -9.919 1.979 4.467 39 1HD PRO 7 2HD PRO 7 -9.656 0.498 2.779 40 H PHE 8 H PHE 8 -7.858 0.868 1.338 41 HA PHE 8 HA PHE 8 -5.756 0.732 3.276 42 1HB PHE 8 2HB PHE 8 -6.556 -1.121 1.024 43 HD1 PHE 8 1HD PHE 8 -7.980 0.339 3.713 44 HD2 PHE 8 2HD PHE 8 -6.895 -3.544 2.362 45 HE1 PHE 8 1HE PHE 8 -9.751 -0.637 5.110 46 HE2 PHE 8 2HE PHE 8 -8.658 -4.529 3.759 47 HZ PHE 8 HZ PHE 8 -10.093 -3.072 5.139 48 H VAL 9 H VAL 9 -5.076 2.878 1.874 49 HA VAL 9 HA VAL 9 -3.462 2.256 -0.401 50 HB VAL 9 HB VAL 9 -4.592 4.480 -0.032 51 1HG1 VAL 9 1HG1 VAL 9 -4.171 5.727 1.748 52 2HG1 VAL 9 2HG1 VAL 9 -3.165 4.417 2.373 53 3HG1 VAL 9 3HG1 VAL 9 -2.439 5.701 1.408 54 1HG2 VAL 9 1HG2 VAL 9 -3.152 5.472 -1.448 55 2HG2 VAL 9 2HG2 VAL 9 -1.757 5.171 -0.412 56 3HG2 VAL 9 3HG2 VAL 9 -2.381 3.885 -1.444 57 H CYS 10 H CYS 10 -1.299 2.059 -0.543 58 HA CYS 10 HA CYS 10 0.112 1.009 1.628 59 1HB CYS 10 2HB CYS 10 0.588 0.427 -0.679 60 H ARG 11 H ARG 11 1.412 1.875 3.091 61 HA ARG 11 HA ARG 11 1.462 4.671 3.548 62 1HB ARG 11 2HB ARG 11 3.285 2.595 4.761 63 1HG ARG 11 2HG ARG 11 0.543 3.436 5.652 64 1HD ARG 11 2HD ARG 11 0.950 1.925 7.558 65 HE ARG 11 HE ARG 11 3.107 3.709 8.050 66 1HH1 ARG 11 2HH1 ARG 11 -0.358 3.570 7.546 67 2HH1 ARG 11 1HH1 ARG 11 -0.647 5.174 8.167 68 1HH2 ARG 11 2HH2 ARG 11 2.730 5.811 8.897 69 2HH2 ARG 11 1HH2 ARG 11 1.108 6.434 8.945 70 H ILE 12 H ILE 12 3.694 2.362 2.148 71 HA ILE 12 HA ILE 12 5.898 4.149 2.213 72 HB ILE 12 HB ILE 12 5.645 1.632 0.562 73 1HG1 ILE 12 2HG1 ILE 12 5.228 1.181 2.947 74 1HG2 ILE 12 1HG2 ILE 12 7.550 3.527 0.355 75 2HG2 ILE 12 2HG2 ILE 12 8.245 2.530 1.633 76 3HG2 ILE 12 3HG2 ILE 12 7.844 1.811 0.073 77 1HD1 ILE 12 1HD1 ILE 12 7.877 1.646 3.953 78 2HD1 ILE 12 2HD1 ILE 12 7.100 3.158 3.478 79 3HD1 ILE 12 3HD1 ILE 12 6.312 2.088 4.637 80 H CYS 13 H CYS 13 3.845 2.922 -0.447 81 HA CYS 13 HA CYS 13 4.801 5.209 -2.012 82 1HB CYS 13 2HB CYS 13 4.009 4.120 -4.051 83 H LEU 14 H LEU 14 2.028 4.124 -3.384 84 HA LEU 14 HA LEU 14 0.086 5.228 -1.616 85 1HB LEU 14 2HB LEU 14 0.837 6.775 -4.087 86 HG LEU 14 HG LEU 14 1.807 7.627 -1.980 87 1HD1 LEU 14 1HD1 LEU 14 -0.383 9.425 -2.999 88 2HD1 LEU 14 2HD1 LEU 14 1.152 9.903 -2.276 89 3HD1 LEU 14 3HD1 LEU 14 1.127 9.130 -3.861 90 1HD2 LEU 14 1HD2 LEU 14 0.638 7.676 -0.095 91 2HD2 LEU 14 2HD2 LEU 14 -0.584 8.706 -0.841 92 3HD2 LEU 14 3HD2 LEU 14 -0.724 6.951 -0.951 93 H SER 15 H SER 15 0.606 2.775 -2.942 94 HA SER 15 HA SER 15 -1.418 2.544 -5.014 95 1HB SER 15 2HB SER 15 0.187 0.392 -3.605 96 HG SER 15 HG SER 15 1.628 1.647 -4.716 97 H ALA 16 H ALA 16 -3.528 2.202 -4.560 98 HA ALA 16 HA ALA 16 -4.262 1.540 -1.805 99 1HB ALA 16 1HB ALA 16 -5.368 3.253 -3.727 100 2HB ALA 16 2HB ALA 16 -6.527 1.936 -3.535 101 3HB ALA 16 3HB ALA 16 -6.014 2.871 -2.131 102 H PHE 17 H PHE 17 -5.156 -0.396 -1.211 103 HA PHE 17 HA PHE 17 -5.826 -2.259 -3.388 104 1HB PHE 17 2HB PHE 17 -4.466 -2.996 -0.787 105 HD1 PHE 17 1HD PHE 17 -2.779 -1.158 -1.678 106 HD2 PHE 17 2HD PHE 17 -3.535 -4.900 -3.561 107 HE1 PHE 17 1HE PHE 17 -0.622 -1.007 -2.846 108 HE2 PHE 17 2HE PHE 17 -1.374 -4.754 -4.728 109 HZ PHE 17 HZ PHE 17 0.084 -2.804 -4.372 110 H THR 18 H THR 18 -7.434 -3.790 -2.964 111 HA THR 18 HA THR 18 -9.656 -2.785 -1.552 112 HB THR 18 HB THR 18 -10.687 -4.999 -2.065 113 HG1 THR 18 1HG THR 18 -9.245 -6.278 -3.582 114 1HG2 THR 18 1HG2 THR 18 -10.831 -4.653 -4.411 115 2HG2 THR 18 2HG2 THR 18 -9.246 -3.882 -4.465 116 3HG2 THR 18 3HG2 THR 18 -10.600 -3.059 -3.691 117 H THR 19 H THR 19 -7.293 -5.277 -0.776 118 HA THR 19 HA THR 19 -8.510 -5.554 1.890 119 HB THR 19 HB THR 19 -7.965 -7.959 1.814 120 HG1 THR 19 1HG THR 19 -7.521 -8.763 -0.426 121 1HG2 THR 19 1HG2 THR 19 -9.668 -8.622 0.113 122 2HG2 THR 19 2HG2 THR 19 -9.699 -6.947 -0.441 123 3HG2 THR 19 3HG2 THR 19 -10.210 -7.344 1.201 124 H LYS 20 H LYS 20 -7.162 -6.081 3.601 125 HA LYS 20 HA LYS 20 -4.582 -4.987 3.727 126 1HB LYS 20 2HB LYS 20 -5.664 -7.287 5.378 127 1HG LYS 20 2HG LYS 20 -7.160 -5.333 5.446 128 1HD LYS 20 2HD LYS 20 -4.772 -3.961 6.670 129 1HE LYS 20 2HE LYS 20 -7.619 -3.020 6.379 130 1HZ LYS 20 1HZ LYS 20 -6.989 -1.029 7.262 131 2HZ LYS 20 2HZ LYS 20 -5.620 -1.373 6.321 132 3HZ LYS 20 3HZ LYS 20 -5.591 -1.648 7.995 133 H ALA 21 H ALA 21 -5.807 -8.157 2.973 134 HA ALA 21 HA ALA 21 -3.549 -9.706 3.052 135 1HB ALA 21 1HB ALA 21 -5.261 -11.081 2.602 136 2HB ALA 21 2HB ALA 21 -6.163 -9.820 1.753 137 3HB ALA 21 3HB ALA 21 -4.910 -10.734 0.908 138 H ASN 22 H ASN 22 -4.769 -7.766 0.329 139 HA ASN 22 HA ASN 22 -2.633 -8.395 -1.440 140 1HB ASN 22 2HB ASN 22 -4.605 -6.125 -1.376 141 1HD2 ASN 22 1HD2 ASN 22 -6.482 -6.798 -2.083 142 2HD2 ASN 22 2HD2 ASN 22 -6.749 -8.095 -3.183 143 H CYS 23 H CYS 23 -3.190 -5.676 0.775 144 HA CYS 23 HA CYS 23 -0.921 -4.199 0.084 145 1HB CYS 23 2HB CYS 23 -2.751 -3.295 1.440 146 HG CYS 23 HG CYS 23 -0.936 -2.554 3.907 147 H ALA 24 H ALA 24 -1.344 -6.765 2.493 148 HA ALA 24 HA ALA 24 1.183 -6.627 3.687 149 1HB ALA 24 1HB ALA 24 0.674 -8.626 4.713 150 2HB ALA 24 2HB ALA 24 -0.930 -8.018 4.304 151 3HB ALA 24 3HB ALA 24 -0.173 -9.257 3.302 152 H ARG 25 H ARG 25 0.115 -8.598 0.904 153 HA ARG 25 HA ARG 25 2.724 -9.704 0.539 154 1HB ARG 25 2HB ARG 25 1.839 -10.699 -1.532 155 1HG ARG 25 2HG ARG 25 -0.662 -10.602 -1.871 156 1HD ARG 25 2HD ARG 25 0.907 -8.127 -2.582 157 HE ARG 25 HE ARG 25 -1.739 -8.780 -3.222 158 1HH1 ARG 25 2HH1 ARG 25 1.215 -7.880 -4.875 159 2HH1 ARG 25 1HH1 ARG 25 0.387 -7.061 -6.167 160 1HH2 ARG 25 2HH2 ARG 25 -2.829 -7.704 -4.908 161 2HH2 ARG 25 1HH2 ARG 25 -1.920 -6.931 -6.169 162 H HIS 26 H HIS 26 1.098 -6.888 -0.620 163 HA HIS 26 HA HIS 26 2.708 -6.200 -2.824 164 1HB HIS 26 2HB HIS 26 0.691 -4.991 -2.486 165 HD1 HIS 26 1HD HIS 26 2.300 -3.724 -4.395 166 HD2 HIS 26 2HD HIS 26 2.312 -2.222 -0.509 167 HE1 HIS 26 1HE HIS 26 3.332 -1.397 -4.505 168 H LEU 27 H LEU 27 3.007 -5.469 0.606 169 HA LEU 27 HA LEU 27 4.824 -3.507 0.632 170 1HB LEU 27 2HB LEU 27 3.689 -4.447 2.599 171 HG LEU 27 HG LEU 27 6.677 -4.275 3.020 172 1HD1 LEU 27 1HD1 LEU 27 6.529 -2.030 3.018 173 2HD1 LEU 27 2HD1 LEU 27 5.104 -2.317 2.020 174 3HD1 LEU 27 3HD1 LEU 27 4.927 -2.032 3.752 175 1HD2 LEU 27 1HD2 LEU 27 6.292 -4.090 5.293 176 2HD2 LEU 27 2HD2 LEU 27 4.599 -3.652 5.075 177 3HD2 LEU 27 3HD2 LEU 27 5.119 -5.318 4.821 178 H LYS 28 H LYS 28 5.629 -6.877 0.114 179 HA LYS 28 HA LYS 28 8.314 -6.909 0.662 180 1HB LYS 28 2HB LYS 28 8.511 -8.799 -0.870 181 1HG LYS 28 2HG LYS 28 5.725 -8.114 -1.781 182 1HD LYS 28 2HD LYS 28 5.984 -10.067 -3.254 183 1HE LYS 28 2HE LYS 28 6.357 -10.728 -0.337 184 1HZ LYS 28 1HZ LYS 28 4.665 -12.535 -1.468 185 2HZ LYS 28 2HZ LYS 28 6.277 -12.814 -1.033 186 3HZ LYS 28 3HZ LYS 28 5.894 -12.380 -2.630 187 H VAL 29 H VAL 29 6.789 -5.533 -2.204 188 HA VAL 29 HA VAL 29 9.025 -5.442 -3.867 189 HB VAL 29 HB VAL 29 7.953 -3.622 -5.086 190 1HG1 VAL 29 1HG1 VAL 29 5.766 -4.737 -5.520 191 2HG1 VAL 29 2HG1 VAL 29 7.169 -5.807 -5.577 192 3HG1 VAL 29 3HG1 VAL 29 6.112 -5.812 -4.164 193 1HG2 VAL 29 1HG2 VAL 29 7.059 -2.632 -2.793 194 2HG2 VAL 29 2HG2 VAL 29 6.254 -2.306 -4.325 195 3HG2 VAL 29 3HG2 VAL 29 5.624 -3.549 -3.246 196 H HIS 30 H HIS 30 8.069 -3.268 -1.273 197 HA HIS 30 HA HIS 30 10.094 -1.322 -1.875 198 1HB HIS 30 2HB HIS 30 8.392 -1.684 0.594 199 HD1 HIS 30 1HD HIS 30 8.658 0.835 -2.304 200 HD2 HIS 30 2HD HIS 30 5.856 -1.214 -0.011 201 HE1 HIS 30 1HE HIS 30 6.371 1.568 -3.127 202 H THR 31 H THR 31 11.303 -3.801 -1.678 203 HA THR 31 HA THR 31 13.468 -3.222 -0.058 204 HB THR 31 HB THR 31 12.086 -3.736 1.873 205 HG1 THR 31 1HG THR 31 14.193 -4.337 2.162 206 1HG2 THR 31 1HG2 THR 31 10.687 -5.468 0.454 207 2HG2 THR 31 2HG2 THR 31 10.842 -5.627 2.206 208 3HG2 THR 31 3HG2 THR 31 11.844 -6.609 1.138 209 H ASP 32 H ASP 32 11.581 -5.972 -1.365 210 HA ASP 32 HA ASP 32 13.953 -7.481 -1.941 211 1HB ASP 32 2HB ASP 32 11.079 -7.883 -2.768 212 H THR 33 H THR 33 11.634 -5.713 -3.990 213 HA THR 33 HA THR 33 13.706 -5.066 -5.878 214 HB THR 33 HB THR 33 11.449 -6.897 -6.737 215 HG1 THR 33 1HG THR 33 13.927 -7.407 -5.836 216 1HG2 THR 33 1HG2 THR 33 12.063 -5.119 -8.379 217 2HG2 THR 33 2HG2 THR 33 12.351 -6.762 -8.955 218 3HG2 THR 33 3HG2 THR 33 13.700 -5.773 -8.397 219 H LEU 34 H LEU 34 13.251 -3.147 -6.788 220 HA LEU 34 HA LEU 34 10.577 -2.369 -7.451 221 1HB LEU 34 2HB LEU 34 10.366 -0.425 -6.037 222 HG LEU 34 HG LEU 34 12.754 0.112 -5.565 223 1HD1 LEU 34 1HD1 LEU 34 10.621 0.763 -4.171 224 2HD1 LEU 34 2HD1 LEU 34 11.408 -0.215 -2.933 225 3HD1 LEU 34 3HD1 LEU 34 12.242 1.184 -3.611 226 1HD2 LEU 34 1HD2 LEU 34 14.090 -1.444 -4.701 227 2HD2 LEU 34 2HD2 LEU 34 13.166 -1.345 -3.201 228 3HD2 LEU 34 3HD2 LEU 34 12.725 -2.528 -4.432 229 H SER 35 H SER 35 13.911 -1.293 -6.922 230 HA SER 35 HA SER 35 14.044 -0.192 -9.580 231 1HB SER 35 2HB SER 35 14.331 1.662 -7.192 232 HG SER 35 HG SER 35 12.204 1.039 -8.719 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -18.287 -10.403 5.990 2 2H GLY 1 2H GLY 1 -19.711 -9.547 5.659 3 3H GLY 1 3H GLY 1 -19.019 -9.477 7.204 4 1HA GLY 1 2HA GLY 1 -18.600 -7.724 5.120 5 2HA GLY 1 1HA GLY 1 -17.739 -7.782 6.653 6 H SER 2 H SER 2 -17.752 -10.017 3.886 7 HA SER 2 HA SER 2 -14.956 -10.440 3.971 8 1HB SER 2 2HB SER 2 -16.905 -10.948 1.709 9 HG SER 2 HG SER 2 -16.041 -12.632 3.839 10 H SER 3 H SER 3 -13.315 -9.619 2.775 11 HA SER 3 HA SER 3 -12.110 -8.225 1.460 12 1HB SER 3 2HB SER 3 -13.686 -8.695 -0.378 13 HG SER 3 HG SER 3 -13.573 -6.029 -0.809 14 H GLY 4 H GLY 4 -11.203 -6.347 1.902 15 1HA GLY 4 1HA GLY 4 -12.256 -4.740 4.003 16 2HA GLY 4 2HA GLY 4 -10.762 -4.463 3.125 17 H LYS 5 H LYS 5 -10.724 -2.533 2.275 18 HA LYS 5 HA LYS 5 -12.782 -1.606 0.516 19 1HB LYS 5 2HB LYS 5 -13.154 0.530 1.804 20 1HG LYS 5 2HG LYS 5 -12.145 -1.047 4.157 21 1HD LYS 5 2HD LYS 5 -12.452 1.081 5.354 22 1HE LYS 5 2HE LYS 5 -14.911 1.108 5.403 23 1HZ LYS 5 1HZ LYS 5 -14.634 -1.708 5.198 24 2HZ LYS 5 2HZ LYS 5 -14.848 -0.748 6.581 25 3HZ LYS 5 3HZ LYS 5 -13.286 -1.036 5.984 26 H ARG 6 H ARG 6 -12.153 1.005 0.282 27 HA ARG 6 HA ARG 6 -9.765 0.711 -1.198 28 1HB ARG 6 2HB ARG 6 -11.467 3.152 -0.802 29 1HG ARG 6 2HG ARG 6 -12.736 1.462 -1.917 30 1HD ARG 6 2HD ARG 6 -10.326 1.155 -3.707 31 HE ARG 6 HE ARG 6 -12.524 -0.584 -4.252 32 1HH1 ARG 6 2HH1 ARG 6 -11.074 2.505 -5.034 33 2HH1 ARG 6 1HH1 ARG 6 -12.060 2.767 -6.444 34 1HH2 ARG 6 2HH2 ARG 6 -13.807 -0.253 -6.136 35 2HH2 ARG 6 1HH2 ARG 6 -13.622 1.211 -7.059 36 HA PRO 7 HA PRO 7 -8.016 4.220 1.763 37 1HB PRO 7 2HB PRO 7 -8.511 3.772 4.385 38 1HG PRO 7 2HG PRO 7 -9.783 1.804 3.983 39 1HD PRO 7 2HD PRO 7 -11.170 1.638 2.060 40 H PHE 8 H PHE 8 -7.639 1.024 1.490 41 HA PHE 8 HA PHE 8 -5.551 0.650 3.486 42 1HB PHE 8 2HB PHE 8 -6.419 -1.144 1.211 43 HD1 PHE 8 1HD PHE 8 -8.109 0.341 3.530 44 HD2 PHE 8 2HD PHE 8 -6.609 -3.580 2.852 45 HE1 PHE 8 1HE PHE 8 -9.947 -0.585 4.863 46 HE2 PHE 8 2HE PHE 8 -8.447 -4.523 4.172 47 HZ PHE 8 HZ PHE 8 -10.126 -2.999 5.194 48 H VAL 9 H VAL 9 -4.958 2.822 2.006 49 HA VAL 9 HA VAL 9 -3.509 2.172 -0.361 50 HB VAL 9 HB VAL 9 -4.636 4.391 0.060 51 1HG1 VAL 9 1HG1 VAL 9 -3.982 4.889 2.284 52 2HG1 VAL 9 2HG1 VAL 9 -2.267 4.757 1.873 53 3HG1 VAL 9 3HG1 VAL 9 -3.226 6.098 1.241 54 1HG2 VAL 9 1HG2 VAL 9 -1.724 4.629 -0.658 55 2HG2 VAL 9 2HG2 VAL 9 -2.957 3.974 -1.734 56 3HG2 VAL 9 3HG2 VAL 9 -3.053 5.653 -1.201 57 H CYS 10 H CYS 10 -1.375 1.927 -0.671 58 HA CYS 10 HA CYS 10 0.158 0.872 1.364 59 1HB CYS 10 2HB CYS 10 0.563 0.397 -0.972 60 H ARG 11 H ARG 11 1.598 1.606 2.724 61 HA ARG 11 HA ARG 11 1.582 4.345 3.440 62 1HB ARG 11 2HB ARG 11 3.465 2.199 4.420 63 1HG ARG 11 2HG ARG 11 0.698 2.886 5.385 64 1HD ARG 11 2HD ARG 11 2.721 0.936 6.473 65 HE ARG 11 HE ARG 11 0.907 -0.080 7.374 66 1HH1 ARG 11 2HH1 ARG 11 0.110 3.317 6.997 67 2HH1 ARG 11 1HH1 ARG 11 -1.502 3.139 7.615 68 1HH2 ARG 11 2HH2 ARG 11 -1.216 -0.312 8.189 69 2HH2 ARG 11 1HH2 ARG 11 -2.257 1.073 8.280 70 H ILE 12 H ILE 12 3.923 2.215 1.873 71 HA ILE 12 HA ILE 12 5.976 4.186 1.956 72 HB ILE 12 HB ILE 12 5.934 1.653 0.317 73 1HG1 ILE 12 2HG1 ILE 12 5.641 1.174 2.710 74 1HG2 ILE 12 1HG2 ILE 12 7.728 3.825 0.347 75 2HG2 ILE 12 2HG2 ILE 12 8.522 2.500 1.198 76 3HG2 ILE 12 3HG2 ILE 12 7.930 2.263 -0.446 77 1HD1 ILE 12 1HD1 ILE 12 6.465 2.653 4.163 78 2HD1 ILE 12 2HD1 ILE 12 7.963 1.742 3.982 79 3HD1 ILE 12 3HD1 ILE 12 7.709 3.214 3.045 80 H CYS 13 H CYS 13 4.039 2.807 -0.725 81 HA CYS 13 HA CYS 13 4.819 5.179 -2.250 82 1HB CYS 13 2HB CYS 13 3.978 4.133 -4.278 83 H LEU 14 H LEU 14 2.004 4.129 -3.526 84 HA LEU 14 HA LEU 14 0.137 5.127 -1.620 85 1HB LEU 14 2HB LEU 14 0.784 6.828 -4.020 86 HG LEU 14 HG LEU 14 1.875 7.523 -1.909 87 1HD1 LEU 14 1HD1 LEU 14 -0.021 9.134 -3.458 88 2HD1 LEU 14 2HD1 LEU 14 0.419 9.819 -1.893 89 3HD1 LEU 14 3HD1 LEU 14 1.674 9.431 -3.071 90 1HD2 LEU 14 1HD2 LEU 14 0.796 7.430 0.027 91 2HD2 LEU 14 2HD2 LEU 14 -0.400 8.585 -0.561 92 3HD2 LEU 14 3HD2 LEU 14 -0.646 6.855 -0.811 93 H SER 15 H SER 15 0.488 2.734 -2.965 94 HA SER 15 HA SER 15 -1.608 2.632 -4.993 95 1HB SER 15 2HB SER 15 0.063 0.407 -3.799 96 HG SER 15 HG SER 15 1.473 1.670 -4.899 97 H ALA 16 H ALA 16 -3.689 2.354 -4.389 98 HA ALA 16 HA ALA 16 -4.261 1.522 -1.655 99 1HB ALA 16 1HB ALA 16 -6.142 2.712 -1.837 100 2HB ALA 16 2HB ALA 16 -5.464 3.326 -3.347 101 3HB ALA 16 3HB ALA 16 -6.572 1.953 -3.373 102 H PHE 17 H PHE 17 -5.056 -0.424 -1.065 103 HA PHE 17 HA PHE 17 -5.868 -2.273 -3.207 104 1HB PHE 17 2HB PHE 17 -4.300 -3.004 -0.720 105 HD1 PHE 17 1HD PHE 17 -2.672 -1.191 -1.695 106 HD2 PHE 17 2HD PHE 17 -3.604 -4.879 -3.603 107 HE1 PHE 17 1HE PHE 17 -0.614 -1.023 -3.031 108 HE2 PHE 17 2HE PHE 17 -1.547 -4.715 -4.938 109 HZ PHE 17 HZ PHE 17 -0.049 -2.782 -4.654 110 H THR 18 H THR 18 -7.600 -3.627 -2.775 111 HA THR 18 HA THR 18 -9.551 -2.550 -1.059 112 HB THR 18 HB THR 18 -10.870 -4.592 -1.645 113 HG1 THR 18 1HG THR 18 -9.942 -6.193 -2.804 114 1HG2 THR 18 1HG2 THR 18 -11.434 -3.253 -3.341 115 2HG2 THR 18 2HG2 THR 18 -10.190 -4.054 -4.300 116 3HG2 THR 18 3HG2 THR 18 -9.807 -2.572 -3.424 117 H THR 19 H THR 19 -7.806 -5.649 -0.813 118 HA THR 19 HA THR 19 -8.700 -5.870 1.973 119 HB THR 19 HB THR 19 -7.973 -8.210 1.870 120 HG1 THR 19 1HG THR 19 -7.673 -8.378 -0.832 121 1HG2 THR 19 1HG2 THR 19 -9.751 -7.448 -0.448 122 2HG2 THR 19 2HG2 THR 19 -10.269 -7.640 1.227 123 3HG2 THR 19 3HG2 THR 19 -9.673 -9.033 0.322 124 H LYS 20 H LYS 20 -7.255 -6.370 3.616 125 HA LYS 20 HA LYS 20 -4.807 -5.001 3.697 126 1HB LYS 20 2HB LYS 20 -5.587 -7.440 5.308 127 1HG LYS 20 2HG LYS 20 -6.087 -4.560 5.867 128 1HD LYS 20 2HD LYS 20 -6.467 -7.006 7.572 129 1HE LYS 20 2HE LYS 20 -7.383 -5.460 9.261 130 1HZ LYS 20 1HZ LYS 20 -9.251 -6.322 8.443 131 2HZ LYS 20 2HZ LYS 20 -8.727 -6.206 6.836 132 3HZ LYS 20 3HZ LYS 20 -9.437 -4.866 7.590 133 H ALA 21 H ALA 21 -5.692 -8.276 2.970 134 HA ALA 21 HA ALA 21 -3.247 -9.462 3.009 135 1HB ALA 21 1HB ALA 21 -5.871 -10.085 1.973 136 2HB ALA 21 2HB ALA 21 -4.596 -10.772 0.964 137 3HB ALA 21 3HB ALA 21 -4.660 -11.155 2.685 138 H ASN 22 H ASN 22 -4.801 -7.717 0.328 139 HA ASN 22 HA ASN 22 -2.788 -8.304 -1.594 140 1HB ASN 22 2HB ASN 22 -4.678 -5.949 -1.466 141 1HD2 ASN 22 1HD2 ASN 22 -6.653 -6.313 -2.181 142 2HD2 ASN 22 2HD2 ASN 22 -7.206 -7.786 -2.896 143 H CYS 23 H CYS 23 -3.187 -5.636 0.700 144 HA CYS 23 HA CYS 23 -0.947 -4.146 -0.150 145 1HB CYS 23 2HB CYS 23 -2.735 -3.232 1.284 146 HG CYS 23 HG CYS 23 -0.940 -1.363 1.553 147 H ALA 24 H ALA 24 -1.331 -6.713 2.256 148 HA ALA 24 HA ALA 24 1.199 -6.598 3.411 149 1HB ALA 24 1HB ALA 24 -1.061 -8.223 3.629 150 2HB ALA 24 2HB ALA 24 0.276 -9.314 3.257 151 3HB ALA 24 3HB ALA 24 0.378 -8.240 4.651 152 H ARG 25 H ARG 25 0.115 -8.585 0.628 153 HA ARG 25 HA ARG 25 2.678 -9.753 0.215 154 1HB ARG 25 2HB ARG 25 1.838 -10.464 -1.987 155 1HG ARG 25 2HG ARG 25 -0.742 -9.083 -1.310 156 1HD ARG 25 2HD ARG 25 0.183 -10.503 -3.800 157 HE ARG 25 HE ARG 25 -2.059 -8.827 -3.368 158 1HH1 ARG 25 2HH1 ARG 25 -1.017 -11.732 -5.018 159 2HH1 ARG 25 1HH1 ARG 25 -2.382 -11.764 -6.103 160 1HH2 ARG 25 2HH2 ARG 25 -3.875 -8.875 -4.786 161 2HH2 ARG 25 1HH2 ARG 25 -3.999 -10.135 -5.980 162 H HIS 26 H HIS 26 1.088 -6.890 -0.988 163 HA HIS 26 HA HIS 26 2.876 -6.145 -3.012 164 1HB HIS 26 2HB HIS 26 0.768 -5.045 -2.853 165 HD1 HIS 26 1HD HIS 26 2.310 -3.705 -4.703 166 HD2 HIS 26 2HD HIS 26 2.260 -2.223 -0.817 167 HE1 HIS 26 1HE HIS 26 3.379 -1.397 -4.783 168 H LEU 27 H LEU 27 2.830 -5.395 0.433 169 HA LEU 27 HA LEU 27 4.593 -3.375 0.598 170 1HB LEU 27 2HB LEU 27 3.260 -4.273 2.457 171 HG LEU 27 HG LEU 27 6.187 -4.052 3.172 172 1HD1 LEU 27 1HD1 LEU 27 5.978 -1.900 2.679 173 2HD1 LEU 27 2HD1 LEU 27 4.283 -2.130 2.243 174 3HD1 LEU 27 3HD1 LEU 27 4.723 -1.768 3.912 175 1HD2 LEU 27 1HD2 LEU 27 5.643 -4.283 5.318 176 2HD2 LEU 27 2HD2 LEU 27 4.239 -3.228 5.156 177 3HD2 LEU 27 3HD2 LEU 27 4.104 -4.941 4.759 178 H LYS 28 H LYS 28 5.519 -6.772 0.377 179 HA LYS 28 HA LYS 28 8.127 -6.628 1.211 180 1HB LYS 28 2HB LYS 28 8.569 -8.652 -0.087 181 1HG LYS 28 2HG LYS 28 5.872 -8.202 -1.344 182 1HD LYS 28 2HD LYS 28 6.277 -10.553 -0.684 183 1HE LYS 28 2HE LYS 28 8.758 -10.484 -0.826 184 1HZ LYS 28 1HZ LYS 28 8.387 -9.519 -3.324 185 2HZ LYS 28 2HZ LYS 28 8.810 -11.128 -3.627 186 3HZ LYS 28 3HZ LYS 28 9.850 -10.133 -2.730 187 H VAL 29 H VAL 29 6.870 -5.573 -1.890 188 HA VAL 29 HA VAL 29 9.247 -5.566 -3.341 189 HB VAL 29 HB VAL 29 8.286 -3.884 -4.803 190 1HG1 VAL 29 1HG1 VAL 29 5.853 -5.117 -4.819 191 2HG1 VAL 29 2HG1 VAL 29 7.320 -5.729 -5.584 192 3HG1 VAL 29 3HG1 VAL 29 6.865 -6.289 -3.973 193 1HG2 VAL 29 1HG2 VAL 29 6.454 -2.571 -4.353 194 2HG2 VAL 29 2HG2 VAL 29 5.843 -3.659 -3.106 195 3HG2 VAL 29 3HG2 VAL 29 7.236 -2.628 -2.773 196 H HIS 30 H HIS 30 8.048 -3.195 -1.022 197 HA HIS 30 HA HIS 30 10.063 -1.257 -1.652 198 1HB HIS 30 2HB HIS 30 8.210 -1.458 0.725 199 HD1 HIS 30 1HD HIS 30 8.648 0.812 -2.355 200 HD2 HIS 30 2HD HIS 30 5.728 -1.121 -0.112 201 HE1 HIS 30 1HE HIS 30 6.413 1.437 -3.381 202 H THR 31 H THR 31 11.372 -3.526 -1.283 203 HA THR 31 HA THR 31 13.451 -2.827 0.355 204 HB THR 31 HB THR 31 12.042 -3.342 2.295 205 HG1 THR 31 1HG THR 31 14.404 -3.977 2.078 206 1HG2 THR 31 1HG2 THR 31 10.789 -5.214 0.927 207 2HG2 THR 31 2HG2 THR 31 10.937 -5.313 2.682 208 3HG2 THR 31 3HG2 THR 31 12.020 -6.249 1.651 209 H ASP 32 H ASP 32 11.581 -5.486 -0.988 210 HA ASP 32 HA ASP 32 13.802 -7.204 -1.527 211 1HB ASP 32 2HB ASP 32 11.447 -7.973 -1.298 212 H THR 33 H THR 33 11.699 -5.308 -3.690 213 HA THR 33 HA THR 33 13.877 -4.243 -5.187 214 HB THR 33 HB THR 33 12.067 -6.227 -6.602 215 HG1 THR 33 1HG THR 33 14.426 -6.537 -5.357 216 1HG2 THR 33 1HG2 THR 33 14.207 -5.480 -8.242 217 2HG2 THR 33 2HG2 THR 33 13.586 -3.977 -7.557 218 3HG2 THR 33 3HG2 THR 33 12.508 -5.055 -8.443 219 H LEU 34 H LEU 34 13.232 -2.269 -5.888 220 HA LEU 34 HA LEU 34 10.420 -1.767 -6.477 221 1HB LEU 34 2HB LEU 34 10.208 0.029 -4.852 222 HG LEU 34 HG LEU 34 12.625 0.636 -4.502 223 1HD1 LEU 34 1HD1 LEU 34 10.461 0.679 -2.726 224 2HD1 LEU 34 2HD1 LEU 34 11.861 0.199 -1.763 225 3HD1 LEU 34 3HD1 LEU 34 11.902 1.698 -2.692 226 1HD2 LEU 34 1HD2 LEU 34 12.589 -1.963 -2.984 227 2HD2 LEU 34 2HD2 LEU 34 13.731 -1.427 -4.215 228 3HD2 LEU 34 3HD2 LEU 34 13.736 -0.676 -2.619 229 H SER 35 H SER 35 12.140 -1.667 -8.405 230 HA SER 35 HA SER 35 12.211 1.127 -9.096 231 1HB SER 35 2HB SER 35 14.627 1.088 -9.730 232 HG SER 35 HG SER 35 14.676 -1.304 -9.709 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -15.701 -11.100 6.591 2 2H GLY 1 2H GLY 1 -15.953 -9.423 6.573 3 3H GLY 1 3H GLY 1 -14.843 -10.099 7.660 4 1HA GLY 1 2HA GLY 1 -13.753 -9.026 5.764 5 2HA GLY 1 1HA GLY 1 -13.371 -10.733 5.932 6 H SER 2 H SER 2 -16.229 -9.108 4.576 7 HA SER 2 HA SER 2 -16.216 -10.798 2.251 8 1HB SER 2 2HB SER 2 -18.181 -9.430 1.580 9 HG SER 2 HG SER 2 -17.582 -7.437 2.452 10 H SER 3 H SER 3 -13.817 -9.715 2.195 11 HA SER 3 HA SER 3 -12.324 -8.618 0.880 12 1HB SER 3 2HB SER 3 -14.725 -7.579 -0.646 13 HG SER 3 HG SER 3 -13.815 -9.989 -0.557 14 H GLY 4 H GLY 4 -11.252 -6.731 1.175 15 1HA GLY 4 1HA GLY 4 -12.102 -5.153 3.324 16 2HA GLY 4 2HA GLY 4 -10.680 -4.855 2.343 17 H LYS 5 H LYS 5 -10.676 -2.813 1.777 18 HA LYS 5 HA LYS 5 -12.833 -1.632 0.284 19 1HB LYS 5 2HB LYS 5 -13.458 -1.435 2.756 20 1HG LYS 5 2HG LYS 5 -13.054 1.146 1.262 21 1HD LYS 5 2HD LYS 5 -14.813 0.472 3.614 22 1HE LYS 5 2HE LYS 5 -14.486 3.040 2.065 23 1HZ LYS 5 1HZ LYS 5 -15.483 2.491 4.710 24 2HZ LYS 5 2HZ LYS 5 -16.583 3.342 3.739 25 3HZ LYS 5 3HZ LYS 5 -15.026 3.965 4.004 26 H ARG 6 H ARG 6 -12.157 0.702 -0.260 27 HA ARG 6 HA ARG 6 -9.600 0.438 -1.380 28 1HB ARG 6 2HB ARG 6 -11.559 1.483 -2.475 29 1HG ARG 6 2HG ARG 6 -10.416 3.279 -3.630 30 1HD ARG 6 2HD ARG 6 -8.432 2.074 -4.382 31 HE ARG 6 HE ARG 6 -10.963 0.865 -4.347 32 1HH1 ARG 6 2HH1 ARG 6 -7.602 -0.054 -4.784 33 2HH1 ARG 6 1HH1 ARG 6 -7.977 -1.410 -5.799 34 1HH2 ARG 6 2HH2 ARG 6 -11.447 -0.907 -5.684 35 2HH2 ARG 6 1HH2 ARG 6 -10.165 -1.893 -6.323 36 HA PRO 7 HA PRO 7 -8.408 4.221 1.577 37 1HB PRO 7 2HB PRO 7 -8.849 3.598 4.189 38 1HG PRO 7 2HG PRO 7 -9.973 1.570 3.763 39 1HD PRO 7 2HD PRO 7 -11.185 1.242 1.785 40 H PHE 8 H PHE 8 -7.879 0.926 1.534 41 HA PHE 8 HA PHE 8 -5.731 0.751 3.428 42 1HB PHE 8 2HB PHE 8 -6.525 -1.108 1.182 43 HD1 PHE 8 1HD PHE 8 -8.284 0.329 3.500 44 HD2 PHE 8 2HD PHE 8 -6.605 -3.516 2.833 45 HE1 PHE 8 1HE PHE 8 -10.085 -0.683 4.840 46 HE2 PHE 8 2HE PHE 8 -8.388 -4.547 4.164 47 HZ PHE 8 HZ PHE 8 -10.138 -3.116 5.180 48 H VAL 9 H VAL 9 -5.030 2.888 1.983 49 HA VAL 9 HA VAL 9 -3.513 2.212 -0.348 50 HB VAL 9 HB VAL 9 -4.607 4.455 0.038 51 1HG1 VAL 9 1HG1 VAL 9 -3.826 4.740 2.367 52 2HG1 VAL 9 2HG1 VAL 9 -2.191 4.987 1.747 53 3HG1 VAL 9 3HG1 VAL 9 -3.476 6.126 1.333 54 1HG2 VAL 9 1HG2 VAL 9 -1.960 5.370 -0.539 55 2HG2 VAL 9 2HG2 VAL 9 -2.225 3.793 -1.286 56 3HG2 VAL 9 3HG2 VAL 9 -3.322 5.129 -1.633 57 H CYS 10 H CYS 10 -1.343 1.995 -0.577 58 HA CYS 10 HA CYS 10 0.129 0.912 1.512 59 1HB CYS 10 2HB CYS 10 0.626 0.433 -0.797 60 H ARG 11 H ARG 11 1.483 1.674 2.954 61 HA ARG 11 HA ARG 11 1.543 4.422 3.628 62 1HB ARG 11 2HB ARG 11 3.133 3.725 5.381 63 1HG ARG 11 2HG ARG 11 2.922 0.977 4.163 64 1HD ARG 11 2HD ARG 11 2.992 0.921 6.585 65 HE ARG 11 HE ARG 11 4.720 3.084 6.456 66 1HH1 ARG 11 2HH1 ARG 11 4.628 -0.045 8.020 67 2HH1 ARG 11 1HH1 ARG 11 5.516 0.490 9.417 68 1HH2 ARG 11 2HH2 ARG 11 5.847 3.796 8.292 69 2HH2 ARG 11 1HH2 ARG 11 6.168 2.687 9.599 70 H ILE 12 H ILE 12 3.824 2.250 2.006 71 HA ILE 12 HA ILE 12 5.949 4.153 2.118 72 HB ILE 12 HB ILE 12 5.783 1.656 0.428 73 1HG1 ILE 12 2HG1 ILE 12 5.493 1.137 2.809 74 1HG2 ILE 12 1HG2 ILE 12 7.524 3.555 -0.010 75 2HG2 ILE 12 2HG2 ILE 12 8.316 2.887 1.417 76 3HG2 ILE 12 3HG2 ILE 12 8.036 1.868 0.003 77 1HD1 ILE 12 1HD1 ILE 12 6.419 2.410 4.362 78 2HD1 ILE 12 2HD1 ILE 12 7.962 1.653 3.960 79 3HD1 ILE 12 3HD1 ILE 12 7.496 3.170 3.190 80 H CYS 13 H CYS 13 3.958 2.899 -0.581 81 HA CYS 13 HA CYS 13 4.803 5.277 -2.070 82 1HB CYS 13 2HB CYS 13 4.049 4.213 -4.127 83 H LEU 14 H LEU 14 2.040 4.146 -3.442 84 HA LEU 14 HA LEU 14 0.091 5.254 -1.671 85 1HB LEU 14 2HB LEU 14 0.865 6.778 -4.144 86 HG LEU 14 HG LEU 14 1.787 7.636 -2.008 87 1HD1 LEU 14 1HD1 LEU 14 -0.225 9.224 -3.564 88 2HD1 LEU 14 2HD1 LEU 14 0.694 9.954 -2.247 89 3HD1 LEU 14 3HD1 LEU 14 1.536 9.282 -3.643 90 1HD2 LEU 14 1HD2 LEU 14 -0.605 8.772 -0.951 91 2HD2 LEU 14 2HD2 LEU 14 -0.808 7.022 -1.072 92 3HD2 LEU 14 3HD2 LEU 14 0.550 7.695 -0.165 93 H SER 15 H SER 15 0.600 2.785 -3.015 94 HA SER 15 HA SER 15 -1.423 2.580 -5.087 95 1HB SER 15 2HB SER 15 0.199 0.431 -3.695 96 HG SER 15 HG SER 15 1.657 1.614 -4.805 97 H ALA 16 H ALA 16 -3.516 2.197 -4.667 98 HA ALA 16 HA ALA 16 -4.315 1.599 -1.930 99 1HB ALA 16 1HB ALA 16 -6.266 2.628 -2.399 100 2HB ALA 16 2HB ALA 16 -5.354 3.298 -3.753 101 3HB ALA 16 3HB ALA 16 -6.394 1.892 -3.996 102 H PHE 17 H PHE 17 -5.126 -0.335 -1.256 103 HA PHE 17 HA PHE 17 -5.790 -2.335 -3.313 104 1HB PHE 17 2HB PHE 17 -4.272 -2.878 -0.754 105 HD1 PHE 17 1HD PHE 17 -2.664 -1.092 -1.735 106 HD2 PHE 17 2HD PHE 17 -3.447 -4.859 -3.545 107 HE1 PHE 17 1HE PHE 17 -0.574 -0.914 -3.016 108 HE2 PHE 17 2HE PHE 17 -1.359 -4.687 -4.825 109 HZ PHE 17 HZ PHE 17 0.086 -2.711 -4.559 110 H THR 18 H THR 18 -7.470 -3.744 -2.809 111 HA THR 18 HA THR 18 -9.484 -2.670 -1.156 112 HB THR 18 HB THR 18 -10.694 -4.818 -1.663 113 HG1 THR 18 1HG THR 18 -9.539 -6.073 -3.386 114 1HG2 THR 18 1HG2 THR 18 -10.710 -4.399 -4.177 115 2HG2 THR 18 2HG2 THR 18 -9.495 -3.159 -3.871 116 3HG2 THR 18 3HG2 THR 18 -11.097 -3.022 -3.145 117 H THR 19 H THR 19 -7.754 -5.783 -0.842 118 HA THR 19 HA THR 19 -8.578 -5.895 1.961 119 HB THR 19 HB THR 19 -7.782 -8.219 1.932 120 HG1 THR 19 1HG THR 19 -7.471 -8.620 -0.695 121 1HG2 THR 19 1HG2 THR 19 -9.794 -7.237 -0.020 122 2HG2 THR 19 2HG2 THR 19 -9.999 -8.282 1.387 123 3HG2 THR 19 3HG2 THR 19 -9.333 -8.939 -0.110 124 H LYS 20 H LYS 20 -7.126 -6.301 3.623 125 HA LYS 20 HA LYS 20 -4.649 -4.952 3.628 126 1HB LYS 20 2HB LYS 20 -5.810 -7.088 5.410 127 1HG LYS 20 2HG LYS 20 -5.199 -4.206 5.893 128 1HD LYS 20 2HD LYS 20 -6.664 -6.208 7.606 129 1HE LYS 20 2HE LYS 20 -7.499 -3.908 7.831 130 1HZ LYS 20 1HZ LYS 20 -4.675 -3.281 8.514 131 2HZ LYS 20 2HZ LYS 20 -5.983 -2.242 8.804 132 3HZ LYS 20 3HZ LYS 20 -5.566 -2.656 7.213 133 H ALA 21 H ALA 21 -5.609 -8.231 2.966 134 HA ALA 21 HA ALA 21 -3.144 -9.446 3.082 135 1HB ALA 21 1HB ALA 21 -4.595 -10.717 1.013 136 2HB ALA 21 2HB ALA 21 -4.453 -11.201 2.704 137 3HB ALA 21 3HB ALA 21 -5.766 -10.137 2.198 138 H ASN 22 H ASN 22 -4.684 -7.727 0.377 139 HA ASN 22 HA ASN 22 -2.645 -8.313 -1.531 140 1HB ASN 22 2HB ASN 22 -4.538 -5.957 -1.423 141 1HD2 ASN 22 1HD2 ASN 22 -6.507 -6.335 -2.087 142 2HD2 ASN 22 2HD2 ASN 22 -7.063 -7.784 -2.840 143 H CYS 23 H CYS 23 -3.135 -5.662 0.748 144 HA CYS 23 HA CYS 23 -0.920 -4.113 -0.023 145 1HB CYS 23 2HB CYS 23 -2.749 -3.274 1.403 146 HG CYS 23 HG CYS 23 -1.284 -1.288 2.075 147 H ALA 24 H ALA 24 -1.267 -6.778 2.269 148 HA ALA 24 HA ALA 24 1.292 -6.659 3.418 149 1HB ALA 24 1HB ALA 24 -0.095 -8.016 4.615 150 2HB ALA 24 2HB ALA 24 -0.816 -8.737 3.176 151 3HB ALA 24 3HB ALA 24 0.796 -9.232 3.699 152 H ARG 25 H ARG 25 0.110 -8.599 0.658 153 HA ARG 25 HA ARG 25 2.649 -9.756 0.123 154 1HB ARG 25 2HB ARG 25 1.712 -10.573 -1.942 155 1HG ARG 25 2HG ARG 25 -0.662 -8.791 -1.466 156 1HD ARG 25 2HD ARG 25 -0.058 -10.839 -3.591 157 HE ARG 25 HE ARG 25 -1.627 -8.556 -3.882 158 1HH1 ARG 25 2HH1 ARG 25 -1.966 -12.025 -4.228 159 2HH1 ARG 25 1HH1 ARG 25 -3.165 -11.913 -5.474 160 1HH2 ARG 25 2HH2 ARG 25 -3.205 -8.399 -5.519 161 2HH2 ARG 25 1HH2 ARG 25 -3.881 -9.847 -6.205 162 H HIS 26 H HIS 26 1.103 -6.792 -0.796 163 HA HIS 26 HA HIS 26 2.828 -6.045 -2.916 164 1HB HIS 26 2HB HIS 26 0.750 -4.897 -2.708 165 HD1 HIS 26 1HD HIS 26 2.362 -3.580 -4.533 166 HD2 HIS 26 2HD HIS 26 2.291 -2.124 -0.630 167 HE1 HIS 26 1HE HIS 26 3.420 -1.274 -4.593 168 H LEU 27 H LEU 27 2.804 -5.274 0.539 169 HA LEU 27 HA LEU 27 4.602 -3.301 0.676 170 1HB LEU 27 2HB LEU 27 3.318 -4.197 2.574 171 HG LEU 27 HG LEU 27 6.267 -4.018 3.205 172 1HD1 LEU 27 1HD1 LEU 27 5.010 -1.718 4.056 173 2HD1 LEU 27 2HD1 LEU 27 6.006 -1.889 2.610 174 3HD1 LEU 27 3HD1 LEU 27 4.253 -2.051 2.497 175 1HD2 LEU 27 1HD2 LEU 27 5.141 -3.223 5.452 176 2HD2 LEU 27 2HD2 LEU 27 3.830 -4.265 4.899 177 3HD2 LEU 27 3HD2 LEU 27 5.446 -4.931 5.138 178 H LYS 28 H LYS 28 5.454 -6.705 0.546 179 HA LYS 28 HA LYS 28 8.134 -6.548 1.171 180 1HB LYS 28 2HB LYS 28 8.381 -8.699 0.019 181 1HG LYS 28 2HG LYS 28 5.606 -8.159 -0.990 182 1HD LYS 28 2HD LYS 28 5.672 -10.411 -0.058 183 1HE LYS 28 2HE LYS 28 8.089 -10.778 -0.097 184 1HZ LYS 28 1HZ LYS 28 9.248 -10.460 -1.930 185 2HZ LYS 28 2HZ LYS 28 7.836 -10.142 -2.817 186 3HZ LYS 28 3HZ LYS 28 8.424 -11.727 -2.701 187 H VAL 29 H VAL 29 6.620 -5.588 -1.835 188 HA VAL 29 HA VAL 29 8.841 -5.750 -3.549 189 HB VAL 29 HB VAL 29 7.841 -4.055 -4.939 190 1HG1 VAL 29 1HG1 VAL 29 5.409 -5.006 -4.960 191 2HG1 VAL 29 2HG1 VAL 29 6.786 -6.017 -5.403 192 3HG1 VAL 29 3HG1 VAL 29 6.079 -6.145 -3.794 193 1HG2 VAL 29 1HG2 VAL 29 5.863 -3.528 -2.731 194 2HG2 VAL 29 2HG2 VAL 29 7.194 -2.464 -3.184 195 3HG2 VAL 29 3HG2 VAL 29 5.886 -2.777 -4.325 196 H HIS 30 H HIS 30 7.967 -3.333 -1.147 197 HA HIS 30 HA HIS 30 9.977 -1.458 -1.960 198 1HB HIS 30 2HB HIS 30 8.333 -1.697 0.547 199 HD1 HIS 30 1HD HIS 30 8.687 0.694 -2.457 200 HD2 HIS 30 2HD HIS 30 5.823 -1.112 -0.042 201 HE1 HIS 30 1HE HIS 30 6.427 1.506 -3.279 202 H THR 31 H THR 31 10.979 -4.073 -1.429 203 HA THR 31 HA THR 31 13.212 -3.365 0.177 204 HB THR 31 HB THR 31 12.935 -5.445 1.643 205 HG1 THR 31 1HG THR 31 10.436 -5.291 0.505 206 1HG2 THR 31 1HG2 THR 31 10.953 -3.485 2.577 207 2HG2 THR 31 2HG2 THR 31 12.577 -2.888 2.238 208 3HG2 THR 31 3HG2 THR 31 12.340 -4.180 3.414 209 H ASP 32 H ASP 32 11.370 -6.015 -1.330 210 HA ASP 32 HA ASP 32 13.724 -7.526 -2.015 211 1HB ASP 32 2HB ASP 32 10.877 -7.728 -3.016 212 H THR 33 H THR 33 11.317 -5.796 -3.988 213 HA THR 33 HA THR 33 13.300 -4.575 -5.619 214 HB THR 33 HB THR 33 13.409 -6.754 -6.685 215 HG1 THR 33 1HG THR 33 13.581 -5.520 -8.397 216 1HG2 THR 33 1HG2 THR 33 11.576 -7.954 -7.517 217 2HG2 THR 33 2HG2 THR 33 10.491 -6.570 -7.384 218 3HG2 THR 33 3HG2 THR 33 11.044 -7.400 -5.929 219 H LEU 34 H LEU 34 12.492 -2.751 -6.492 220 HA LEU 34 HA LEU 34 9.609 -2.496 -6.868 221 1HB LEU 34 2HB LEU 34 9.459 -0.417 -5.618 222 HG LEU 34 HG LEU 34 11.855 0.343 -5.702 223 1HD1 LEU 34 1HD1 LEU 34 11.794 0.947 -3.134 224 2HD1 LEU 34 2HD1 LEU 34 10.641 1.645 -4.274 225 3HD1 LEU 34 3HD1 LEU 34 10.163 0.282 -3.259 226 1HD2 LEU 34 1HD2 LEU 34 12.281 -2.143 -4.370 227 2HD2 LEU 34 2HD2 LEU 34 13.472 -0.953 -4.894 228 3HD2 LEU 34 3HD2 LEU 34 12.753 -0.834 -3.288 229 H SER 35 H SER 35 11.449 -2.783 -8.791 230 HA SER 35 HA SER 35 12.324 -0.251 -9.829 231 1HB SER 35 2HB SER 35 12.115 -2.946 -11.202 232 HG SER 35 HG SER 35 13.691 -2.230 -9.211 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -10.781 -6.957 11.815 2 2H GLY 1 2H GLY 1 -11.598 -8.426 12.030 3 3H GLY 1 3H GLY 1 -12.356 -7.153 11.211 4 1HA GLY 1 2HA GLY 1 -9.815 -8.118 10.151 5 2HA GLY 1 1HA GLY 1 -11.223 -9.151 9.946 6 H SER 2 H SER 2 -10.750 -5.607 9.803 7 HA SER 2 HA SER 2 -12.596 -5.162 7.762 8 1HB SER 2 2HB SER 2 -10.115 -3.564 8.444 9 HG SER 2 HG SER 2 -12.813 -3.314 9.311 10 H SER 3 H SER 3 -12.582 -5.487 5.643 11 HA SER 3 HA SER 3 -10.300 -5.396 3.967 12 1HB SER 3 2HB SER 3 -9.827 -7.526 5.172 13 HG SER 3 HG SER 3 -10.408 -8.713 2.856 14 H GLY 4 H GLY 4 -10.966 -5.188 1.861 15 1HA GLY 4 1HA GLY 4 -12.598 -6.090 0.174 16 2HA GLY 4 2HA GLY 4 -13.841 -5.710 1.353 17 H LYS 5 H LYS 5 -13.413 -3.243 2.179 18 HA LYS 5 HA LYS 5 -13.948 -1.608 -0.116 19 1HB LYS 5 2HB LYS 5 -14.036 0.273 1.515 20 1HG LYS 5 2HG LYS 5 -13.602 -1.822 3.629 21 1HD LYS 5 2HD LYS 5 -13.721 0.057 5.161 22 1HE LYS 5 2HE LYS 5 -16.071 0.692 4.916 23 1HZ LYS 5 1HZ LYS 5 -17.005 -1.592 4.661 24 2HZ LYS 5 2HZ LYS 5 -15.774 -1.442 5.821 25 3HZ LYS 5 3HZ LYS 5 -15.435 -2.136 4.308 26 H ARG 6 H ARG 6 -12.688 0.149 -0.916 27 HA ARG 6 HA ARG 6 -9.866 -0.524 -0.715 28 1HB ARG 6 2HB ARG 6 -11.268 1.267 -2.683 29 1HG ARG 6 2HG ARG 6 -10.491 -1.627 -2.911 30 1HD ARG 6 2HD ARG 6 -11.556 0.298 -4.972 31 HE ARG 6 HE ARG 6 -11.998 -2.420 -4.911 32 1HH1 ARG 6 2HH1 ARG 6 -10.355 -0.191 -7.060 33 2HH1 ARG 6 1HH1 ARG 6 -10.715 -1.111 -8.483 34 1HH2 ARG 6 2HH2 ARG 6 -12.502 -3.603 -6.762 35 2HH2 ARG 6 1HH2 ARG 6 -11.950 -3.054 -8.324 36 HA PRO 7 HA PRO 7 -9.502 3.934 0.799 37 1HB PRO 7 2HB PRO 7 -9.851 3.995 3.435 38 1HG PRO 7 2HG PRO 7 -10.395 1.824 3.948 39 1HD PRO 7 2HD PRO 7 -10.592 0.338 2.248 40 H PHE 8 H PHE 8 -8.440 0.915 1.252 41 HA PHE 8 HA PHE 8 -6.273 1.275 3.102 42 1HB PHE 8 2HB PHE 8 -6.714 -0.874 1.005 43 HD1 PHE 8 1HD PHE 8 -6.674 -3.207 2.617 44 HD2 PHE 8 2HD PHE 8 -8.682 0.470 3.332 45 HE1 PHE 8 1HE PHE 8 -8.335 -4.391 3.976 46 HE2 PHE 8 2HE PHE 8 -10.356 -0.708 4.697 47 HZ PHE 8 HZ PHE 8 -10.185 -3.143 5.023 48 H VAL 9 H VAL 9 -4.268 2.079 2.577 49 HA VAL 9 HA VAL 9 -3.436 2.026 -0.206 50 HB VAL 9 HB VAL 9 -4.671 4.159 0.335 51 1HG1 VAL 9 1HG1 VAL 9 -2.634 4.309 2.368 52 2HG1 VAL 9 2HG1 VAL 9 -2.664 5.749 1.350 53 3HG1 VAL 9 3HG1 VAL 9 -4.127 5.233 2.188 54 1HG2 VAL 9 1HG2 VAL 9 -3.565 5.118 -1.358 55 2HG2 VAL 9 2HG2 VAL 9 -2.029 5.086 -0.491 56 3HG2 VAL 9 3HG2 VAL 9 -2.589 3.648 -1.344 57 H CYS 10 H CYS 10 -1.304 1.848 -0.479 58 HA CYS 10 HA CYS 10 0.247 0.815 1.566 59 1HB CYS 10 2HB CYS 10 0.651 0.346 -0.772 60 H ARG 11 H ARG 11 1.606 1.619 2.995 61 HA ARG 11 HA ARG 11 1.624 4.421 3.508 62 1HB ARG 11 2HB ARG 11 3.057 3.838 5.427 63 1HG ARG 11 2HG ARG 11 2.887 1.020 4.386 64 1HD ARG 11 2HD ARG 11 2.552 1.147 6.802 65 HE ARG 11 HE ARG 11 4.593 3.121 6.753 66 1HH1 ARG 11 2HH1 ARG 11 3.255 0.529 8.690 67 2HH1 ARG 11 1HH1 ARG 11 3.896 1.144 10.189 68 1HH2 ARG 11 2HH2 ARG 11 5.434 3.943 8.727 69 2HH2 ARG 11 1HH2 ARG 11 5.083 3.108 10.213 70 H ILE 12 H ILE 12 3.837 2.144 2.030 71 HA ILE 12 HA ILE 12 6.070 3.940 2.118 72 HB ILE 12 HB ILE 12 5.748 1.489 0.386 73 1HG1 ILE 12 2HG1 ILE 12 5.503 0.956 2.796 74 1HG2 ILE 12 1HG2 ILE 12 7.564 2.505 -0.530 75 2HG2 ILE 12 2HG2 ILE 12 7.949 3.396 0.943 76 3HG2 ILE 12 3HG2 ILE 12 8.373 1.691 0.809 77 1HD1 ILE 12 1HD1 ILE 12 6.617 2.145 4.293 78 2HD1 ILE 12 2HD1 ILE 12 8.032 1.194 3.842 79 3HD1 ILE 12 3HD1 ILE 12 7.746 2.760 3.084 80 H CYS 13 H CYS 13 3.905 2.801 -0.503 81 HA CYS 13 HA CYS 13 4.739 5.204 -1.959 82 1HB CYS 13 2HB CYS 13 3.990 4.219 -4.049 83 H LEU 14 H LEU 14 1.990 4.121 -3.364 84 HA LEU 14 HA LEU 14 0.037 5.111 -1.524 85 1HB LEU 14 2HB LEU 14 0.796 6.785 -3.913 86 HG LEU 14 HG LEU 14 1.784 7.512 -1.760 87 1HD1 LEU 14 1HD1 LEU 14 0.385 9.812 -1.827 88 2HD1 LEU 14 2HD1 LEU 14 1.617 9.382 -3.015 89 3HD1 LEU 14 3HD1 LEU 14 -0.088 9.116 -3.376 90 1HD2 LEU 14 1HD2 LEU 14 -0.792 6.842 -0.791 91 2HD2 LEU 14 2HD2 LEU 14 0.598 7.436 0.119 92 3HD2 LEU 14 3HD2 LEU 14 -0.569 8.577 -0.553 93 H SER 15 H SER 15 0.442 2.703 -2.845 94 HA SER 15 HA SER 15 -1.535 2.603 -4.980 95 1HB SER 15 2HB SER 15 0.047 0.383 -3.659 96 HG SER 15 HG SER 15 1.464 1.674 -4.761 97 H ALA 16 H ALA 16 -3.643 2.234 -4.597 98 HA ALA 16 HA ALA 16 -4.472 1.558 -1.884 99 1HB ALA 16 1HB ALA 16 -6.590 1.895 -3.870 100 2HB ALA 16 2HB ALA 16 -6.368 2.679 -2.305 101 3HB ALA 16 3HB ALA 16 -5.518 3.287 -3.728 102 H PHE 17 H PHE 17 -5.500 -0.327 -1.304 103 HA PHE 17 HA PHE 17 -6.076 -2.272 -3.425 104 1HB PHE 17 2HB PHE 17 -4.606 -2.965 -0.870 105 HD1 PHE 17 1HD PHE 17 -3.782 -4.790 -3.776 106 HD2 PHE 17 2HD PHE 17 -2.889 -1.207 -1.660 107 HE1 PHE 17 1HE PHE 17 -1.610 -4.660 -4.924 108 HE2 PHE 17 2HE PHE 17 -0.725 -1.064 -2.813 109 HZ PHE 17 HZ PHE 17 -0.082 -2.789 -4.444 110 H THR 18 H THR 18 -7.723 -3.723 -2.974 111 HA THR 18 HA THR 18 -9.841 -2.820 -1.375 112 HB THR 18 HB THR 18 -10.785 -5.118 -1.757 113 HG1 THR 18 1HG THR 18 -9.263 -6.096 -3.595 114 1HG2 THR 18 1HG2 THR 18 -10.298 -3.044 -3.605 115 2HG2 THR 18 2HG2 THR 18 -11.584 -4.251 -3.639 116 3HG2 THR 18 3HG2 THR 18 -10.058 -4.568 -4.462 117 H THR 19 H THR 19 -7.462 -5.367 -0.864 118 HA THR 19 HA THR 19 -8.499 -5.708 1.855 119 HB THR 19 HB THR 19 -7.743 -8.024 1.730 120 HG1 THR 19 1HG THR 19 -6.976 -8.784 -0.372 121 1HG2 THR 19 1HG2 THR 19 -9.735 -8.504 0.852 122 2HG2 THR 19 2HG2 THR 19 -9.104 -8.208 -0.768 123 3HG2 THR 19 3HG2 THR 19 -9.815 -6.886 0.155 124 H LYS 20 H LYS 20 -7.110 -5.990 3.552 125 HA LYS 20 HA LYS 20 -4.575 -4.748 3.580 126 1HB LYS 20 2HB LYS 20 -5.782 -6.837 5.404 127 1HG LYS 20 2HG LYS 20 -5.414 -3.907 5.781 128 1HD LYS 20 2HD LYS 20 -6.811 -5.969 7.468 129 1HE LYS 20 2HE LYS 20 -7.972 -3.804 7.483 130 1HZ LYS 20 1HZ LYS 20 -6.535 -2.065 8.828 131 2HZ LYS 20 2HZ LYS 20 -6.550 -2.086 7.132 132 3HZ LYS 20 3HZ LYS 20 -5.269 -2.806 7.978 133 H ALA 21 H ALA 21 -5.726 -7.934 2.967 134 HA ALA 21 HA ALA 21 -3.434 -9.394 3.226 135 1HB ALA 21 1HB ALA 21 -5.062 -10.897 2.879 136 2HB ALA 21 2HB ALA 21 -6.054 -9.722 2.008 137 3HB ALA 21 3HB ALA 21 -4.802 -10.628 1.154 138 H ASN 22 H ASN 22 -4.670 -7.684 0.356 139 HA ASN 22 HA ASN 22 -2.526 -8.402 -1.378 140 1HB ASN 22 2HB ASN 22 -4.508 -6.140 -1.427 141 1HD2 ASN 22 1HD2 ASN 22 -6.344 -6.884 -2.167 142 2HD2 ASN 22 2HD2 ASN 22 -6.543 -8.157 -3.316 143 H CYS 23 H CYS 23 -3.086 -5.633 0.755 144 HA CYS 23 HA CYS 23 -0.829 -4.141 0.057 145 1HB CYS 23 2HB CYS 23 -2.673 -3.258 1.439 146 HG CYS 23 HG CYS 23 0.144 -2.174 1.579 147 H ALA 24 H ALA 24 -1.223 -6.775 2.367 148 HA ALA 24 HA ALA 24 1.283 -6.629 3.602 149 1HB ALA 24 1HB ALA 24 -0.474 -9.032 3.117 150 2HB ALA 24 2HB ALA 24 0.885 -8.972 4.240 151 3HB ALA 24 3HB ALA 24 -0.528 -7.953 4.510 152 H ARG 25 H ARG 25 0.252 -8.610 0.800 153 HA ARG 25 HA ARG 25 2.880 -9.642 0.427 154 1HB ARG 25 2HB ARG 25 2.016 -10.613 -1.682 155 1HG ARG 25 2HG ARG 25 -0.484 -10.656 -1.951 156 1HD ARG 25 2HD ARG 25 0.839 -8.029 -2.596 157 HE ARG 25 HE ARG 25 -1.737 -8.956 -3.218 158 1HH1 ARG 25 2HH1 ARG 25 1.051 -7.537 -4.808 159 2HH1 ARG 25 1HH1 ARG 25 0.112 -6.813 -6.073 160 1HH2 ARG 25 2HH2 ARG 25 -2.970 -7.989 -4.874 161 2HH2 ARG 25 1HH2 ARG 25 -2.179 -7.067 -6.113 162 H HIS 26 H HIS 26 1.170 -6.900 -0.827 163 HA HIS 26 HA HIS 26 2.856 -6.165 -2.956 164 1HB HIS 26 2HB HIS 26 0.775 -5.022 -2.714 165 HD1 HIS 26 1HD HIS 26 2.339 -3.705 -4.591 166 HD2 HIS 26 2HD HIS 26 2.333 -2.226 -0.700 167 HE1 HIS 26 1HE HIS 26 3.372 -1.377 -4.687 168 H LEU 27 H LEU 27 3.002 -5.521 0.500 169 HA LEU 27 HA LEU 27 4.753 -3.487 0.630 170 1HB LEU 27 2HB LEU 27 3.554 -4.465 2.536 171 HG LEU 27 HG LEU 27 6.523 -4.269 3.075 172 1HD1 LEU 27 1HD1 LEU 27 4.400 -2.157 3.390 173 2HD1 LEU 27 2HD1 LEU 27 6.144 -1.968 3.571 174 3HD1 LEU 27 3HD1 LEU 27 5.451 -2.286 1.980 175 1HD2 LEU 27 1HD2 LEU 27 4.948 -5.381 4.803 176 2HD2 LEU 27 2HD2 LEU 27 6.043 -4.106 5.341 177 3HD2 LEU 27 3HD2 LEU 27 4.341 -3.745 5.057 178 H LYS 28 H LYS 28 5.677 -6.871 0.210 179 HA LYS 28 HA LYS 28 8.340 -6.749 0.874 180 1HB LYS 28 2HB LYS 28 8.718 -8.675 -0.563 181 1HG LYS 28 2HG LYS 28 5.903 -8.355 -1.573 182 1HD LYS 28 2HD LYS 28 6.733 -10.664 -1.379 183 1HE LYS 28 2HE LYS 28 8.902 -9.695 -3.234 184 1HZ LYS 28 1HZ LYS 28 7.787 -12.201 -3.119 185 2HZ LYS 28 2HZ LYS 28 9.215 -12.324 -2.213 186 3HZ LYS 28 3HZ LYS 28 9.275 -11.777 -3.814 187 H VAL 29 H VAL 29 6.888 -5.672 -2.159 188 HA VAL 29 HA VAL 29 9.150 -5.568 -3.736 189 HB VAL 29 HB VAL 29 8.086 -3.855 -5.076 190 1HG1 VAL 29 1HG1 VAL 29 6.339 -6.048 -4.037 191 2HG1 VAL 29 2HG1 VAL 29 5.766 -4.945 -5.289 192 3HG1 VAL 29 3HG1 VAL 29 7.199 -5.936 -5.573 193 1HG2 VAL 29 1HG2 VAL 29 7.158 -2.220 -3.791 194 2HG2 VAL 29 2HG2 VAL 29 5.704 -3.143 -4.163 195 3HG2 VAL 29 3HG2 VAL 29 6.509 -3.357 -2.609 196 H HIS 30 H HIS 30 8.110 -3.302 -1.252 197 HA HIS 30 HA HIS 30 10.165 -1.376 -1.869 198 1HB HIS 30 2HB HIS 30 8.355 -1.613 0.534 199 HD1 HIS 30 1HD HIS 30 8.701 0.746 -2.492 200 HD2 HIS 30 2HD HIS 30 5.853 -1.211 -0.169 201 HE1 HIS 30 1HE HIS 30 6.418 1.471 -3.363 202 H THR 31 H THR 31 10.905 -4.217 -1.035 203 HA THR 31 HA THR 31 13.218 -3.563 0.422 204 HB THR 31 HB THR 31 11.692 -3.269 2.321 205 HG1 THR 31 1HG THR 31 13.274 -5.639 2.480 206 1HG2 THR 31 1HG2 THR 31 10.858 -5.813 3.025 207 2HG2 THR 31 2HG2 THR 31 10.525 -5.722 1.295 208 3HG2 THR 31 3HG2 THR 31 9.843 -4.518 2.388 209 H ASP 32 H ASP 32 12.314 -5.066 -1.856 210 HA ASP 32 HA ASP 32 14.010 -7.318 -1.639 211 1HB ASP 32 2HB ASP 32 11.988 -8.238 -0.474 212 H THR 33 H THR 33 14.753 -7.745 -3.660 213 HA THR 33 HA THR 33 13.660 -6.272 -5.889 214 HB THR 33 HB THR 33 15.910 -8.303 -5.834 215 HG1 THR 33 1HG THR 33 15.914 -6.094 -4.603 216 1HG2 THR 33 1HG2 THR 33 15.693 -8.116 -8.069 217 2HG2 THR 33 2HG2 THR 33 16.461 -6.545 -7.845 218 3HG2 THR 33 3HG2 THR 33 14.704 -6.663 -7.951 219 H LEU 34 H LEU 34 12.314 -7.042 -7.428 220 HA LEU 34 HA LEU 34 11.078 -9.576 -6.938 221 1HB LEU 34 2HB LEU 34 10.623 -7.537 -9.119 222 HG LEU 34 HG LEU 34 8.967 -8.218 -6.688 223 1HD1 LEU 34 1HD1 LEU 34 10.848 -6.623 -6.351 224 2HD1 LEU 34 2HD1 LEU 34 10.093 -5.561 -7.538 225 3HD1 LEU 34 3HD1 LEU 34 9.253 -5.945 -6.036 226 1HD2 LEU 34 1HD2 LEU 34 8.274 -6.387 -8.977 227 2HD2 LEU 34 2HD2 LEU 34 7.575 -7.983 -8.696 228 3HD2 LEU 34 3HD2 LEU 34 7.306 -6.684 -7.534 229 H SER 35 H SER 35 12.938 -8.267 -9.679 230 HA SER 35 HA SER 35 12.968 -10.817 -11.005 231 1HB SER 35 2HB SER 35 14.499 -8.275 -11.592 232 HG SER 35 HG SER 35 11.920 -8.992 -11.967 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -13.308 -9.687 10.669 2 2H GLY 1 2H GLY 1 -13.046 -8.070 11.103 3 3H GLY 1 3H GLY 1 -13.347 -9.232 12.301 4 1HA GLY 1 2HA GLY 1 -11.067 -8.931 12.428 5 2HA GLY 1 1HA GLY 1 -11.265 -10.394 11.471 6 H SER 2 H SER 2 -11.969 -9.404 9.027 7 HA SER 2 HA SER 2 -10.311 -7.276 8.141 8 1HB SER 2 2HB SER 2 -8.530 -8.934 8.551 9 HG SER 2 HG SER 2 -7.963 -9.179 6.155 10 H SER 3 H SER 3 -11.003 -6.588 6.203 11 HA SER 3 HA SER 3 -12.285 -8.279 4.279 12 1HB SER 3 2HB SER 3 -14.513 -7.153 4.444 13 HG SER 3 HG SER 3 -13.540 -5.389 5.812 14 H GLY 4 H GLY 4 -12.250 -7.355 2.320 15 1HA GLY 4 1HA GLY 4 -10.585 -5.254 1.793 16 2HA GLY 4 2HA GLY 4 -11.790 -5.845 0.667 17 H LYS 5 H LYS 5 -10.664 -3.166 1.502 18 HA LYS 5 HA LYS 5 -13.031 -1.629 1.116 19 1HB LYS 5 2HB LYS 5 -12.980 -2.161 3.629 20 1HG LYS 5 2HG LYS 5 -12.853 0.737 2.839 21 1HD LYS 5 2HD LYS 5 -13.985 -0.596 5.285 22 1HE LYS 5 2HE LYS 5 -13.856 2.313 4.504 23 1HZ LYS 5 1HZ LYS 5 -13.649 1.599 6.960 24 2HZ LYS 5 2HZ LYS 5 -15.298 1.234 6.829 25 3HZ LYS 5 3HZ LYS 5 -14.754 2.816 6.548 26 H ARG 6 H ARG 6 -12.400 0.537 0.513 27 HA ARG 6 HA ARG 6 -10.045 0.335 -0.943 28 1HB ARG 6 2HB ARG 6 -12.099 1.441 -1.715 29 1HG ARG 6 2HG ARG 6 -11.115 3.293 -2.926 30 1HD ARG 6 2HD ARG 6 -9.150 1.026 -2.610 31 HE ARG 6 HE ARG 6 -9.067 3.234 -4.352 32 1HH1 ARG 6 2HH1 ARG 6 -8.681 -0.247 -4.375 33 2HH1 ARG 6 1HH1 ARG 6 -7.679 -0.255 -5.792 34 1HH2 ARG 6 2HH2 ARG 6 -7.767 3.224 -6.216 35 2HH2 ARG 6 1HH2 ARG 6 -7.142 1.725 -6.832 36 HA PRO 7 HA PRO 7 -8.171 3.969 1.735 37 1HB PRO 7 2HB PRO 7 -8.548 3.788 4.387 38 1HG PRO 7 2HG PRO 7 -9.741 1.739 4.298 39 1HD PRO 7 2HD PRO 7 -11.102 1.207 2.482 40 H PHE 8 H PHE 8 -7.643 0.940 1.374 41 HA PHE 8 HA PHE 8 -5.660 0.480 3.469 42 1HB PHE 8 2HB PHE 8 -6.549 -1.260 1.164 43 HD1 PHE 8 1HD PHE 8 -8.187 0.214 3.525 44 HD2 PHE 8 2HD PHE 8 -6.752 -3.715 2.779 45 HE1 PHE 8 1HE PHE 8 -10.019 -0.701 4.872 46 HE2 PHE 8 2HE PHE 8 -8.583 -4.651 4.110 47 HZ PHE 8 HZ PHE 8 -10.229 -3.123 5.176 48 H VAL 9 H VAL 9 -4.944 2.647 2.086 49 HA VAL 9 HA VAL 9 -3.427 2.049 -0.254 50 HB VAL 9 HB VAL 9 -4.538 4.268 0.252 51 1HG1 VAL 9 1HG1 VAL 9 -2.956 5.882 1.465 52 2HG1 VAL 9 2HG1 VAL 9 -3.945 4.791 2.437 53 3HG1 VAL 9 3HG1 VAL 9 -2.239 4.428 2.159 54 1HG2 VAL 9 1HG2 VAL 9 -1.927 5.234 -0.384 55 2HG2 VAL 9 2HG2 VAL 9 -2.180 3.670 -1.159 56 3HG2 VAL 9 3HG2 VAL 9 -3.314 4.989 -1.445 57 H CYS 10 H CYS 10 -1.241 1.952 -0.530 58 HA CYS 10 HA CYS 10 0.304 0.777 1.463 59 1HB CYS 10 2HB CYS 10 0.806 0.412 -0.840 60 H ARG 11 H ARG 11 1.776 1.472 2.846 61 HA ARG 11 HA ARG 11 1.747 4.160 3.754 62 1HB ARG 11 2HB ARG 11 3.826 2.064 4.388 63 1HG ARG 11 2HG ARG 11 1.167 2.482 5.721 64 1HD ARG 11 2HD ARG 11 3.581 0.881 6.576 65 HE ARG 11 HE ARG 11 1.347 0.890 8.362 66 1HH1 ARG 11 2HH1 ARG 11 2.876 -0.807 5.714 67 2HH1 ARG 11 1HH1 ARG 11 1.939 -2.257 5.924 68 1HH2 ARG 11 2HH2 ARG 11 0.100 -1.019 8.637 69 2HH2 ARG 11 1HH2 ARG 11 0.361 -2.374 7.583 70 H ILE 12 H ILE 12 4.049 2.193 1.932 71 HA ILE 12 HA ILE 12 6.047 4.195 2.018 72 HB ILE 12 HB ILE 12 5.967 1.736 0.277 73 1HG1 ILE 12 2HG1 ILE 12 5.734 1.152 2.637 74 1HG2 ILE 12 1HG2 ILE 12 8.581 2.270 0.901 75 2HG2 ILE 12 2HG2 ILE 12 7.782 2.678 -0.618 76 3HG2 ILE 12 3HG2 ILE 12 7.902 3.882 0.666 77 1HD1 ILE 12 1HD1 ILE 12 6.596 2.462 4.195 78 2HD1 ILE 12 2HD1 ILE 12 8.159 1.748 3.796 79 3HD1 ILE 12 3HD1 ILE 12 7.663 3.259 3.037 80 H CYS 13 H CYS 13 4.058 2.924 -0.663 81 HA CYS 13 HA CYS 13 4.758 5.382 -2.088 82 1HB CYS 13 2HB CYS 13 3.939 4.381 -4.163 83 H LEU 14 H LEU 14 1.998 4.268 -3.421 84 HA LEU 14 HA LEU 14 0.084 5.093 -1.474 85 1HB LEU 14 2HB LEU 14 0.624 6.901 -3.822 86 HG LEU 14 HG LEU 14 1.660 7.628 -1.707 87 1HD1 LEU 14 1HD1 LEU 14 0.398 9.858 -1.588 88 2HD1 LEU 14 2HD1 LEU 14 1.112 9.395 -3.134 89 3HD1 LEU 14 3HD1 LEU 14 -0.620 9.193 -2.867 90 1HD2 LEU 14 1HD2 LEU 14 -1.141 7.894 -0.631 91 2HD2 LEU 14 2HD2 LEU 14 -0.101 6.515 -0.269 92 3HD2 LEU 14 3HD2 LEU 14 0.384 8.138 0.222 93 H SER 15 H SER 15 0.645 2.799 -3.002 94 HA SER 15 HA SER 15 -1.403 2.624 -5.044 95 1HB SER 15 2HB SER 15 0.290 0.458 -3.766 96 HG SER 15 HG SER 15 1.684 1.765 -4.852 97 H ALA 16 H ALA 16 -3.490 2.211 -4.592 98 HA ALA 16 HA ALA 16 -4.193 1.439 -1.871 99 1HB ALA 16 1HB ALA 16 -6.513 1.955 -2.578 100 2HB ALA 16 2HB ALA 16 -5.401 3.309 -2.780 101 3HB ALA 16 3HB ALA 16 -5.898 2.360 -4.182 102 H PHE 17 H PHE 17 -5.067 -0.489 -1.304 103 HA PHE 17 HA PHE 17 -5.750 -2.385 -3.448 104 1HB PHE 17 2HB PHE 17 -4.247 -3.096 -0.914 105 HD1 PHE 17 1HD PHE 17 -3.314 -4.967 -3.684 106 HD2 PHE 17 2HD PHE 17 -2.664 -1.178 -1.870 107 HE1 PHE 17 1HE PHE 17 -1.164 -4.778 -4.864 108 HE2 PHE 17 2HE PHE 17 -0.520 -0.976 -3.056 109 HZ PHE 17 HZ PHE 17 0.233 -2.771 -4.551 110 H THR 18 H THR 18 -7.508 -3.715 -3.017 111 HA THR 18 HA THR 18 -9.447 -2.632 -1.309 112 HB THR 18 HB THR 18 -10.733 -4.731 -1.791 113 HG1 THR 18 1HG THR 18 -9.519 -5.941 -3.619 114 1HG2 THR 18 1HG2 THR 18 -11.399 -3.565 -3.572 115 2HG2 THR 18 2HG2 THR 18 -10.019 -4.179 -4.483 116 3HG2 THR 18 3HG2 THR 18 -9.875 -2.675 -3.573 117 H THR 19 H THR 19 -7.829 -5.806 -0.985 118 HA THR 19 HA THR 19 -8.703 -5.875 1.798 119 HB THR 19 HB THR 19 -8.001 -8.230 1.784 120 HG1 THR 19 1HG THR 19 -7.492 -9.033 -0.467 121 1HG2 THR 19 1HG2 THR 19 -9.647 -9.055 0.131 122 2HG2 THR 19 2HG2 THR 19 -9.734 -7.433 -0.554 123 3HG2 THR 19 3HG2 THR 19 -10.269 -7.720 1.102 124 H LYS 20 H LYS 20 -7.349 -6.377 3.495 125 HA LYS 20 HA LYS 20 -4.810 -5.160 3.692 126 1HB LYS 20 2HB LYS 20 -6.052 -7.449 5.225 127 1HG LYS 20 2HG LYS 20 -5.600 -4.629 6.063 128 1HD LYS 20 2HD LYS 20 -7.101 -6.903 7.342 129 1HE LYS 20 2HE LYS 20 -8.153 -4.702 7.745 130 1HZ LYS 20 1HZ LYS 20 -6.819 -3.256 9.339 131 2HZ LYS 20 2HZ LYS 20 -6.450 -3.145 7.687 132 3HZ LYS 20 3HZ LYS 20 -5.446 -4.040 8.725 133 H ALA 21 H ALA 21 -5.927 -8.333 2.854 134 HA ALA 21 HA ALA 21 -3.589 -9.737 2.940 135 1HB ALA 21 1HB ALA 21 -5.027 -10.818 0.795 136 2HB ALA 21 2HB ALA 21 -5.118 -11.301 2.490 137 3HB ALA 21 3HB ALA 21 -6.238 -10.091 1.857 138 H ASN 22 H ASN 22 -4.931 -7.805 0.273 139 HA ASN 22 HA ASN 22 -2.781 -8.416 -1.535 140 1HB ASN 22 2HB ASN 22 -4.696 -6.071 -1.594 141 1HD2 ASN 22 1HD2 ASN 22 -6.651 -6.462 -2.305 142 2HD2 ASN 22 2HD2 ASN 22 -7.178 -7.907 -3.083 143 H CYS 23 H CYS 23 -3.532 -5.759 0.656 144 HA CYS 23 HA CYS 23 -1.450 -4.075 -0.104 145 1HB CYS 23 2HB CYS 23 -3.400 -3.370 1.224 146 HG CYS 23 HG CYS 23 -2.152 -1.199 1.755 147 H ALA 24 H ALA 24 -1.583 -6.417 2.573 148 HA ALA 24 HA ALA 24 0.909 -5.895 3.684 149 1HB ALA 24 1HB ALA 24 -1.155 -7.620 4.222 150 2HB ALA 24 2HB ALA 24 0.169 -8.711 3.808 151 3HB ALA 24 3HB ALA 24 0.370 -7.530 5.104 152 H ARG 25 H ARG 25 0.068 -8.223 1.141 153 HA ARG 25 HA ARG 25 2.672 -9.320 0.954 154 1HB ARG 25 2HB ARG 25 1.929 -10.396 -1.082 155 1HG ARG 25 2HG ARG 25 -0.538 -8.679 -0.926 156 1HD ARG 25 2HD ARG 25 0.243 -10.931 -2.765 157 HE ARG 25 HE ARG 25 -1.452 -8.808 -3.380 158 1HH1 ARG 25 2HH1 ARG 25 -1.629 -12.301 -3.182 159 2HH1 ARG 25 1HH1 ARG 25 -2.707 -12.454 -4.545 160 1HH2 ARG 25 2HH2 ARG 25 -2.878 -9.018 -5.193 161 2HH2 ARG 25 1HH2 ARG 25 -3.419 -10.596 -5.663 162 H HIS 26 H HIS 26 1.126 -6.576 -0.501 163 HA HIS 26 HA HIS 26 2.810 -6.031 -2.653 164 1HB HIS 26 2HB HIS 26 0.809 -4.782 -2.463 165 HD1 HIS 26 1HD HIS 26 2.423 -3.614 -4.392 166 HD2 HIS 26 2HD HIS 26 2.427 -1.936 -0.582 167 HE1 HIS 26 1HE HIS 26 3.525 -1.325 -4.595 168 H LEU 27 H LEU 27 3.123 -5.179 0.762 169 HA LEU 27 HA LEU 27 5.059 -3.313 0.723 170 1HB LEU 27 2HB LEU 27 4.342 -5.427 2.655 171 HG LEU 27 HG LEU 27 4.103 -3.555 4.228 172 1HD1 LEU 27 1HD1 LEU 27 5.472 -2.125 2.075 173 2HD1 LEU 27 2HD1 LEU 27 4.089 -1.269 2.757 174 3HD1 LEU 27 3HD1 LEU 27 5.408 -1.791 3.806 175 1HD2 LEU 27 1HD2 LEU 27 2.663 -3.151 1.616 176 2HD2 LEU 27 2HD2 LEU 27 2.164 -4.206 2.938 177 3HD2 LEU 27 3HD2 LEU 27 2.183 -2.456 3.164 178 H LYS 28 H LYS 28 5.617 -6.741 0.163 179 HA LYS 28 HA LYS 28 8.330 -6.874 0.662 180 1HB LYS 28 2HB LYS 28 8.456 -8.749 -0.883 181 1HG LYS 28 2HG LYS 28 5.655 -8.073 -1.737 182 1HD LYS 28 2HD LYS 28 6.228 -10.502 -1.618 183 1HE LYS 28 2HE LYS 28 7.675 -11.379 -3.458 184 1HZ LYS 28 1HZ LYS 28 9.567 -11.387 -2.223 185 2HZ LYS 28 2HZ LYS 28 8.465 -10.900 -1.027 186 3HZ LYS 28 3HZ LYS 28 9.453 -9.753 -1.792 187 H VAL 29 H VAL 29 6.726 -5.556 -2.217 188 HA VAL 29 HA VAL 29 8.910 -5.505 -3.912 189 HB VAL 29 HB VAL 29 7.855 -3.691 -5.140 190 1HG1 VAL 29 1HG1 VAL 29 5.524 -4.727 -5.329 191 2HG1 VAL 29 2HG1 VAL 29 6.919 -5.753 -5.665 192 3HG1 VAL 29 3HG1 VAL 29 6.085 -5.878 -4.114 193 1HG2 VAL 29 1HG2 VAL 29 6.905 -2.848 -2.662 194 2HG2 VAL 29 2HG2 VAL 29 6.545 -2.143 -4.239 195 3HG2 VAL 29 3HG2 VAL 29 5.470 -3.361 -3.553 196 H HIS 30 H HIS 30 8.055 -3.159 -1.402 197 HA HIS 30 HA HIS 30 10.223 -1.395 -2.067 198 1HB HIS 30 2HB HIS 30 8.510 -1.491 0.420 199 HD1 HIS 30 1HD HIS 30 8.807 0.794 -2.667 200 HD2 HIS 30 2HD HIS 30 5.992 -0.957 -0.138 201 HE1 HIS 30 1HE HIS 30 6.520 1.636 -3.416 202 H THR 31 H THR 31 9.535 -3.515 0.710 203 HA THR 31 HA THR 31 12.254 -3.219 1.657 204 HB THR 31 HB THR 31 10.462 -3.177 3.287 205 HG1 THR 31 1HG THR 31 12.115 -5.492 3.488 206 1HG2 THR 31 1HG2 THR 31 8.919 -4.708 2.056 207 2HG2 THR 31 2HG2 THR 31 9.054 -5.050 3.781 208 3HG2 THR 31 3HG2 THR 31 9.905 -6.062 2.614 209 H ASP 32 H ASP 32 12.231 -4.446 -0.812 210 HA ASP 32 HA ASP 32 13.802 -6.736 -0.344 211 1HB ASP 32 2HB ASP 32 11.614 -7.782 0.113 212 H THR 33 H THR 33 11.700 -6.858 -3.134 213 HA THR 33 HA THR 33 13.375 -5.188 -4.768 214 HB THR 33 HB THR 33 14.793 -7.195 -4.560 215 HG1 THR 33 1HG THR 33 15.110 -6.262 -6.491 216 1HG2 THR 33 1HG2 THR 33 14.061 -9.309 -5.634 217 2HG2 THR 33 2HG2 THR 33 12.441 -8.632 -5.796 218 3HG2 THR 33 3HG2 THR 33 13.126 -8.905 -4.194 219 H LEU 34 H LEU 34 12.563 -4.895 -6.868 220 HA LEU 34 HA LEU 34 10.320 -6.381 -7.833 221 1HB LEU 34 2HB LEU 34 8.672 -4.664 -7.935 222 HG LEU 34 HG LEU 34 10.088 -2.644 -8.252 223 1HD1 LEU 34 1HD1 LEU 34 8.687 -1.256 -6.510 224 2HD1 LEU 34 2HD1 LEU 34 7.918 -2.036 -7.893 225 3HD1 LEU 34 3HD1 LEU 34 7.850 -2.795 -6.303 226 1HD2 LEU 34 1HD2 LEU 34 10.611 -1.543 -5.909 227 2HD2 LEU 34 2HD2 LEU 34 10.785 -3.229 -5.425 228 3HD2 LEU 34 3HD2 LEU 34 11.780 -2.579 -6.727 229 H SER 35 H SER 35 12.274 -3.457 -8.069 230 HA SER 35 HA SER 35 13.146 -4.129 -10.682 231 1HB SER 35 2HB SER 35 12.341 -2.022 -11.773 232 HG SER 35 HG SER 35 11.746 -1.159 -9.516 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -10.301 -14.370 4.618 2 2H GLY 1 2H GLY 1 -11.917 -13.927 4.878 3 3H GLY 1 3H GLY 1 -10.785 -13.773 6.129 4 1HA GLY 1 2HA GLY 1 -10.720 -11.643 5.496 5 2HA GLY 1 1HA GLY 1 -9.597 -12.282 4.301 6 H SER 2 H SER 2 -11.816 -10.120 4.485 7 HA SER 2 HA SER 2 -12.512 -10.162 1.727 8 1HB SER 2 2HB SER 2 -14.735 -10.631 3.738 9 HG SER 2 HG SER 2 -13.384 -12.354 2.352 10 H SER 3 H SER 3 -11.085 -8.376 3.060 11 HA SER 3 HA SER 3 -12.309 -6.410 4.524 12 1HB SER 3 2HB SER 3 -10.071 -5.942 2.557 13 HG SER 3 HG SER 3 -9.905 -6.896 5.241 14 H GLY 4 H GLY 4 -11.710 -6.389 1.057 15 1HA GLY 4 1HA GLY 4 -12.702 -5.217 -0.675 16 2HA GLY 4 2HA GLY 4 -14.176 -5.529 0.228 17 H LYS 5 H LYS 5 -11.384 -3.433 0.880 18 HA LYS 5 HA LYS 5 -13.146 -1.082 0.909 19 1HB LYS 5 2HB LYS 5 -13.144 -2.177 3.132 20 1HG LYS 5 2HG LYS 5 -11.544 0.349 3.264 21 1HD LYS 5 2HD LYS 5 -11.692 -0.972 5.355 22 1HE LYS 5 2HE LYS 5 -13.853 -0.944 6.570 23 1HZ LYS 5 1HZ LYS 5 -14.841 -2.824 5.489 24 2HZ LYS 5 2HZ LYS 5 -13.155 -2.985 5.416 25 3HZ LYS 5 3HZ LYS 5 -14.022 -2.492 4.047 26 H ARG 6 H ARG 6 -12.168 0.603 -0.012 27 HA ARG 6 HA ARG 6 -9.658 0.169 -1.212 28 1HB ARG 6 2HB ARG 6 -11.464 2.559 -1.331 29 1HG ARG 6 2HG ARG 6 -12.484 0.589 -2.290 30 1HD ARG 6 2HD ARG 6 -10.514 -0.756 -2.737 31 HE ARG 6 HE ARG 6 -8.782 0.194 -3.843 32 1HH1 ARG 6 2HH1 ARG 6 -11.732 1.329 -5.385 33 2HH1 ARG 6 1HH1 ARG 6 -10.883 2.250 -6.589 34 1HH2 ARG 6 2HH2 ARG 6 -7.689 1.439 -5.409 35 2HH2 ARG 6 1HH2 ARG 6 -8.599 2.342 -6.581 36 HA PRO 7 HA PRO 7 -8.201 4.117 1.377 37 1HB PRO 7 2HB PRO 7 -8.744 3.827 4.029 38 1HG PRO 7 2HG PRO 7 -9.934 1.786 3.728 39 1HD PRO 7 2HD PRO 7 -11.253 1.444 1.770 40 H PHE 8 H PHE 8 -7.621 1.019 1.250 41 HA PHE 8 HA PHE 8 -5.621 0.755 3.343 42 1HB PHE 8 2HB PHE 8 -6.387 -1.082 1.064 43 HD1 PHE 8 1HD PHE 8 -6.657 -3.499 2.593 44 HD2 PHE 8 2HD PHE 8 -8.014 0.418 3.506 45 HE1 PHE 8 1HE PHE 8 -8.442 -4.447 3.987 46 HE2 PHE 8 2HE PHE 8 -9.797 -0.512 4.904 47 HZ PHE 8 HZ PHE 8 -10.018 -2.934 5.147 48 H VAL 9 H VAL 9 -5.012 2.923 1.892 49 HA VAL 9 HA VAL 9 -3.408 2.296 -0.387 50 HB VAL 9 HB VAL 9 -4.625 4.486 -0.062 51 1HG1 VAL 9 1HG1 VAL 9 -2.310 5.553 1.434 52 2HG1 VAL 9 2HG1 VAL 9 -3.997 6.072 1.427 53 3HG1 VAL 9 3HG1 VAL 9 -3.518 4.643 2.345 54 1HG2 VAL 9 1HG2 VAL 9 -1.795 4.226 -0.914 55 2HG2 VAL 9 2HG2 VAL 9 -3.233 4.602 -1.861 56 3HG2 VAL 9 3HG2 VAL 9 -2.502 5.838 -0.840 57 H CYS 10 H CYS 10 -1.269 2.064 -0.542 58 HA CYS 10 HA CYS 10 0.173 1.205 1.695 59 1HB CYS 10 2HB CYS 10 0.607 0.399 -0.548 60 H ARG 11 H ARG 11 1.448 2.211 3.080 61 HA ARG 11 HA ARG 11 1.519 5.044 3.178 62 1HB ARG 11 2HB ARG 11 2.969 4.749 5.155 63 1HG ARG 11 2HG ARG 11 2.679 1.788 4.723 64 1HD ARG 11 2HD ARG 11 4.228 3.415 6.731 65 HE ARG 11 HE ARG 11 4.481 0.666 6.045 66 1HH1 ARG 11 2HH1 ARG 11 4.494 2.895 8.735 67 2HH1 ARG 11 1HH1 ARG 11 5.384 1.836 9.787 68 1HH2 ARG 11 2HH2 ARG 11 5.644 -0.743 7.411 69 2HH2 ARG 11 1HH2 ARG 11 6.052 -0.235 9.027 70 H ILE 12 H ILE 12 3.774 2.596 2.063 71 HA ILE 12 HA ILE 12 6.020 4.366 2.027 72 HB ILE 12 HB ILE 12 5.710 1.757 0.539 73 1HG1 ILE 12 2HG1 ILE 12 5.341 1.457 2.963 74 1HG2 ILE 12 1HG2 ILE 12 7.571 3.481 -0.015 75 2HG2 ILE 12 2HG2 ILE 12 8.282 2.934 1.503 76 3HG2 ILE 12 3HG2 ILE 12 8.000 1.783 0.196 77 1HD1 ILE 12 1HD1 ILE 12 8.096 2.596 3.344 78 2HD1 ILE 12 2HD1 ILE 12 6.590 3.392 3.801 79 3HD1 ILE 12 3HD1 ILE 12 7.061 1.886 4.586 80 H CYS 13 H CYS 13 3.900 3.036 -0.523 81 HA CYS 13 HA CYS 13 4.850 5.242 -2.199 82 1HB CYS 13 2HB CYS 13 4.054 4.066 -4.179 83 H LEU 14 H LEU 14 2.039 4.090 -3.480 84 HA LEU 14 HA LEU 14 0.124 5.224 -1.716 85 1HB LEU 14 2HB LEU 14 0.836 6.750 -4.208 86 HG LEU 14 HG LEU 14 1.791 7.639 -2.110 87 1HD1 LEU 14 1HD1 LEU 14 1.375 9.231 -3.806 88 2HD1 LEU 14 2HD1 LEU 14 -0.360 9.219 -3.489 89 3HD1 LEU 14 3HD1 LEU 14 0.746 9.926 -2.312 90 1HD2 LEU 14 1HD2 LEU 14 0.613 7.893 -0.229 91 2HD2 LEU 14 2HD2 LEU 14 -0.763 8.596 -1.083 92 3HD2 LEU 14 3HD2 LEU 14 -0.584 6.843 -0.987 93 H SER 15 H SER 15 0.587 2.739 -2.953 94 HA SER 15 HA SER 15 -1.453 2.468 -5.010 95 1HB SER 15 2HB SER 15 0.135 0.333 -3.549 96 HG SER 15 HG SER 15 1.569 1.568 -4.721 97 H ALA 16 H ALA 16 -3.572 2.122 -4.536 98 HA ALA 16 HA ALA 16 -4.264 1.562 -1.741 99 1HB ALA 16 1HB ALA 16 -5.314 3.376 -3.449 100 2HB ALA 16 2HB ALA 16 -6.448 2.041 -3.647 101 3HB ALA 16 3HB ALA 16 -6.163 2.723 -2.046 102 H PHE 17 H PHE 17 -5.119 -0.341 -1.075 103 HA PHE 17 HA PHE 17 -5.836 -2.280 -3.173 104 1HB PHE 17 2HB PHE 17 -4.481 -2.905 -0.543 105 HD1 PHE 17 1HD PHE 17 -2.741 -1.155 -1.323 106 HD2 PHE 17 2HD PHE 17 -3.572 -4.773 -3.399 107 HE1 PHE 17 1HE PHE 17 -0.590 -0.975 -2.497 108 HE2 PHE 17 2HE PHE 17 -1.419 -4.601 -4.571 109 HZ PHE 17 HZ PHE 17 0.074 -2.700 -4.122 110 H THR 18 H THR 18 -7.497 -3.745 -2.734 111 HA THR 18 HA THR 18 -9.640 -2.668 -1.234 112 HB THR 18 HB THR 18 -10.811 -4.778 -1.836 113 HG1 THR 18 1HG THR 18 -9.729 -6.336 -2.985 114 1HG2 THR 18 1HG2 THR 18 -9.865 -4.276 -4.457 115 2HG2 THR 18 2HG2 THR 18 -9.794 -2.747 -3.579 116 3HG2 THR 18 3HG2 THR 18 -11.316 -3.634 -3.687 117 H THR 19 H THR 19 -7.332 -5.228 -0.605 118 HA THR 19 HA THR 19 -8.534 -5.613 2.050 119 HB THR 19 HB THR 19 -8.075 -8.016 1.889 120 HG1 THR 19 1HG THR 19 -7.741 -8.530 -0.615 121 1HG2 THR 19 1HG2 THR 19 -9.995 -6.608 0.233 122 2HG2 THR 19 2HG2 THR 19 -10.210 -8.040 1.241 123 3HG2 THR 19 3HG2 THR 19 -9.608 -8.204 -0.410 124 H LYS 20 H LYS 20 -7.147 -6.302 3.694 125 HA LYS 20 HA LYS 20 -4.561 -5.224 3.756 126 1HB LYS 20 2HB LYS 20 -5.630 -7.536 5.391 127 1HG LYS 20 2HG LYS 20 -7.018 -5.558 5.630 128 1HD LYS 20 2HD LYS 20 -4.455 -4.222 6.487 129 1HE LYS 20 2HE LYS 20 -5.846 -2.240 6.879 130 1HZ LYS 20 1HZ LYS 20 -5.621 -4.381 8.553 131 2HZ LYS 20 2HZ LYS 20 -7.278 -4.022 8.593 132 3HZ LYS 20 3HZ LYS 20 -6.144 -2.827 8.986 133 H ALA 21 H ALA 21 -5.812 -8.325 2.851 134 HA ALA 21 HA ALA 21 -3.540 -9.864 2.799 135 1HB ALA 21 1HB ALA 21 -5.315 -11.194 2.386 136 2HB ALA 21 2HB ALA 21 -6.186 -9.934 1.511 137 3HB ALA 21 3HB ALA 21 -4.927 -10.867 0.699 138 H ASN 22 H ASN 22 -4.868 -7.739 0.277 139 HA ASN 22 HA ASN 22 -2.853 -8.288 -1.654 140 1HB ASN 22 2HB ASN 22 -4.716 -5.939 -1.336 141 1HD2 ASN 22 1HD2 ASN 22 -6.688 -6.452 -1.947 142 2HD2 ASN 22 2HD2 ASN 22 -7.119 -7.723 -3.025 143 H CYS 23 H CYS 23 -3.192 -5.815 0.846 144 HA CYS 23 HA CYS 23 -0.910 -4.322 0.161 145 1HB CYS 23 2HB CYS 23 -2.652 -3.480 1.678 146 HG CYS 23 HG CYS 23 -0.608 -1.820 2.002 147 H ALA 24 H ALA 24 -1.362 -7.100 2.293 148 HA ALA 24 HA ALA 24 1.159 -7.185 3.469 149 1HB ALA 24 1HB ALA 24 0.008 -9.809 2.875 150 2HB ALA 24 2HB ALA 24 0.430 -9.071 4.420 151 3HB ALA 24 3HB ALA 24 -1.105 -8.679 3.644 152 H ARG 25 H ARG 25 0.069 -8.828 0.475 153 HA ARG 25 HA ARG 25 2.626 -9.970 -0.037 154 1HB ARG 25 2HB ARG 25 1.797 -10.463 -2.297 155 1HG ARG 25 2HG ARG 25 -0.787 -9.145 -1.522 156 1HD ARG 25 2HD ARG 25 0.199 -10.282 -4.134 157 HE ARG 25 HE ARG 25 -2.048 -8.639 -3.585 158 1HH1 ARG 25 2HH1 ARG 25 -0.968 -11.339 -5.543 159 2HH1 ARG 25 1HH1 ARG 25 -2.277 -11.199 -6.680 160 1HH2 ARG 25 2HH2 ARG 25 -3.781 -8.465 -5.093 161 2HH2 ARG 25 1HH2 ARG 25 -3.855 -9.568 -6.430 162 H HIS 26 H HIS 26 1.090 -6.969 -0.925 163 HA HIS 26 HA HIS 26 2.853 -6.085 -2.910 164 1HB HIS 26 2HB HIS 26 0.756 -4.967 -2.588 165 HD1 HIS 26 1HD HIS 26 2.304 -3.615 -4.431 166 HD2 HIS 26 2HD HIS 26 2.380 -2.238 -0.498 167 HE1 HIS 26 1HE HIS 26 3.344 -1.297 -4.485 168 H LEU 27 H LEU 27 2.834 -5.493 0.573 169 HA LEU 27 HA LEU 27 4.541 -3.466 0.750 170 1HB LEU 27 2HB LEU 27 3.316 -4.445 2.638 171 HG LEU 27 HG LEU 27 6.261 -4.134 3.249 172 1HD1 LEU 27 1HD1 LEU 27 5.942 -2.010 2.680 173 2HD1 LEU 27 2HD1 LEU 27 4.209 -2.261 2.462 174 3HD1 LEU 27 3HD1 LEU 27 4.853 -1.879 4.061 175 1HD2 LEU 27 1HD2 LEU 27 4.713 -5.270 4.964 176 2HD2 LEU 27 2HD2 LEU 27 5.704 -3.913 5.499 177 3HD2 LEU 27 3HD2 LEU 27 3.993 -3.670 5.153 178 H LYS 28 H LYS 28 5.640 -6.824 0.505 179 HA LYS 28 HA LYS 28 8.264 -6.458 1.232 180 1HB LYS 28 2HB LYS 28 8.830 -8.449 -0.083 181 1HG LYS 28 2HG LYS 28 5.971 -8.605 -0.951 182 1HD LYS 28 2HD LYS 28 6.819 -10.352 -2.394 183 1HE LYS 28 2HE LYS 28 7.787 -10.624 0.442 184 1HZ LYS 28 1HZ LYS 28 7.651 -12.564 -1.770 185 2HZ LYS 28 2HZ LYS 28 7.379 -13.086 -0.176 186 3HZ LYS 28 3HZ LYS 28 8.849 -12.356 -0.589 187 H VAL 29 H VAL 29 6.798 -5.645 -1.861 188 HA VAL 29 HA VAL 29 8.998 -5.605 -3.507 189 HB VAL 29 HB VAL 29 7.926 -3.914 -4.876 190 1HG1 VAL 29 1HG1 VAL 29 5.686 -4.986 -5.142 191 2HG1 VAL 29 2HG1 VAL 29 7.051 -6.103 -5.137 192 3HG1 VAL 29 3HG1 VAL 29 6.039 -5.940 -3.701 193 1HG2 VAL 29 1HG2 VAL 29 5.558 -3.183 -3.863 194 2HG2 VAL 29 2HG2 VAL 29 6.497 -3.278 -2.371 195 3HG2 VAL 29 3HG2 VAL 29 7.025 -2.222 -3.682 196 H HIS 30 H HIS 30 8.136 -3.267 -1.061 197 HA HIS 30 HA HIS 30 10.075 -1.325 -1.889 198 1HB HIS 30 2HB HIS 30 8.454 -1.593 0.642 199 HD1 HIS 30 1HD HIS 30 8.694 0.763 -2.387 200 HD2 HIS 30 2HD HIS 30 5.897 -1.122 0.058 201 HE1 HIS 30 1HE HIS 30 6.400 1.503 -3.190 202 H THR 31 H THR 31 9.785 -3.591 0.803 203 HA THR 31 HA THR 31 12.310 -2.879 1.898 204 HB THR 31 HB THR 31 11.901 -4.788 3.425 205 HG1 THR 31 1HG THR 31 9.604 -5.628 3.143 206 1HG2 THR 31 1HG2 THR 31 10.146 -3.745 4.612 207 2HG2 THR 31 2HG2 THR 31 9.408 -3.138 3.130 208 3HG2 THR 31 3HG2 THR 31 10.928 -2.451 3.702 209 H ASP 32 H ASP 32 11.142 -5.810 0.253 210 HA ASP 32 HA ASP 32 13.902 -6.708 -0.129 211 1HB ASP 32 2HB ASP 32 12.277 -8.382 0.657 212 H THR 33 H THR 33 14.901 -6.224 -1.966 213 HA THR 33 HA THR 33 13.460 -4.949 -4.091 214 HB THR 33 HB THR 33 15.656 -4.092 -3.525 215 HG1 THR 33 1HG THR 33 16.642 -4.472 -5.759 216 1HG2 THR 33 1HG2 THR 33 16.418 -6.677 -3.132 217 2HG2 THR 33 2HG2 THR 33 17.528 -5.314 -3.268 218 3HG2 THR 33 3HG2 THR 33 17.185 -6.316 -4.678 219 H LEU 34 H LEU 34 12.868 -5.775 -6.004 220 HA LEU 34 HA LEU 34 12.854 -8.629 -6.290 221 1HB LEU 34 2HB LEU 34 11.798 -6.436 -8.080 222 HG LEU 34 HG LEU 34 10.312 -8.344 -6.274 223 1HD1 LEU 34 1HD1 LEU 34 9.320 -6.040 -5.559 224 2HD1 LEU 34 2HD1 LEU 34 10.851 -6.599 -4.886 225 3HD1 LEU 34 3HD1 LEU 34 10.845 -5.413 -6.192 226 1HD2 LEU 34 1HD2 LEU 34 8.387 -6.791 -7.250 227 2HD2 LEU 34 2HD2 LEU 34 9.477 -6.779 -8.638 228 3HD2 LEU 34 3HD2 LEU 34 8.864 -8.309 -8.012 229 H SER 35 H SER 35 15.463 -7.895 -6.314 230 HA SER 35 HA SER 35 16.356 -8.860 -8.858 231 1HB SER 35 2HB SER 35 16.041 -6.438 -9.348 232 HG SER 35 HG SER 35 18.635 -7.535 -9.299 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -11.832 -13.205 7.220 2 2H GLY 1 2H GLY 1 -12.365 -13.686 5.685 3 3H GLY 1 3H GLY 1 -13.235 -14.148 7.063 4 1HA GLY 1 2HA GLY 1 -14.405 -12.366 6.006 5 2HA GLY 1 1HA GLY 1 -13.723 -11.795 7.524 6 H SER 2 H SER 2 -12.280 -12.326 4.318 7 HA SER 2 HA SER 2 -10.746 -9.935 4.470 8 1HB SER 2 2HB SER 2 -11.258 -11.797 2.142 9 HG SER 2 HG SER 2 -9.701 -12.961 2.958 10 H SER 3 H SER 3 -13.204 -8.994 4.852 11 HA SER 3 HA SER 3 -14.410 -8.013 2.426 12 1HB SER 3 2HB SER 3 -15.796 -6.663 4.033 13 HG SER 3 HG SER 3 -15.366 -7.790 6.282 14 H GLY 4 H GLY 4 -11.858 -7.345 2.140 15 1HA GLY 4 1HA GLY 4 -10.811 -5.099 3.325 16 2HA GLY 4 2HA GLY 4 -10.462 -5.586 1.678 17 H LYS 5 H LYS 5 -10.968 -2.975 3.167 18 HA LYS 5 HA LYS 5 -13.138 -1.881 1.534 19 1HB LYS 5 2HB LYS 5 -13.026 -1.614 4.075 20 1HG LYS 5 2HG LYS 5 -13.161 0.927 2.465 21 1HD LYS 5 2HD LYS 5 -14.223 0.275 5.213 22 1HE LYS 5 2HE LYS 5 -14.361 2.805 3.582 23 1HZ LYS 5 1HZ LYS 5 -14.196 3.537 5.754 24 2HZ LYS 5 2HZ LYS 5 -15.032 2.205 6.392 25 3HZ LYS 5 3HZ LYS 5 -15.877 3.407 5.540 26 H ARG 6 H ARG 6 -12.558 0.604 1.015 27 HA ARG 6 HA ARG 6 -10.467 0.422 -0.896 28 1HB ARG 6 2HB ARG 6 -12.516 1.486 -1.495 29 1HG ARG 6 2HG ARG 6 -11.854 3.650 -2.348 30 1HD ARG 6 2HD ARG 6 -9.510 1.748 -2.516 31 HE ARG 6 HE ARG 6 -9.977 4.236 -3.776 32 1HH1 ARG 6 2HH1 ARG 6 -8.901 0.978 -4.503 33 2HH1 ARG 6 1HH1 ARG 6 -7.996 1.460 -5.905 34 1HH2 ARG 6 2HH2 ARG 6 -8.766 4.871 -5.607 35 2HH2 ARG 6 1HH2 ARG 6 -7.885 3.680 -6.517 36 HA PRO 7 HA PRO 7 -8.426 4.047 1.687 37 1HB PRO 7 2HB PRO 7 -8.650 3.905 4.361 38 1HG PRO 7 2HG PRO 7 -9.782 1.818 4.350 39 1HD PRO 7 2HD PRO 7 -11.274 1.255 2.643 40 H PHE 8 H PHE 8 -7.820 1.055 1.336 41 HA PHE 8 HA PHE 8 -5.756 0.656 3.361 42 1HB PHE 8 2HB PHE 8 -6.689 -1.098 1.084 43 HD1 PHE 8 1HD PHE 8 -6.737 -3.550 2.715 44 HD2 PHE 8 2HD PHE 8 -8.256 0.336 3.519 45 HE1 PHE 8 1HE PHE 8 -8.445 -4.536 4.166 46 HE2 PHE 8 2HE PHE 8 -9.965 -0.626 4.993 47 HZ PHE 8 HZ PHE 8 -10.071 -3.052 5.324 48 H VAL 9 H VAL 9 -5.111 2.848 1.934 49 HA VAL 9 HA VAL 9 -3.544 2.191 -0.376 50 HB VAL 9 HB VAL 9 -4.686 4.419 -0.013 51 1HG1 VAL 9 1HG1 VAL 9 -4.035 4.820 2.288 52 2HG1 VAL 9 2HG1 VAL 9 -2.336 4.901 1.807 53 3HG1 VAL 9 3HG1 VAL 9 -3.474 6.128 1.245 54 1HG2 VAL 9 1HG2 VAL 9 -3.403 5.045 -1.700 55 2HG2 VAL 9 2HG2 VAL 9 -2.092 5.424 -0.583 56 3HG2 VAL 9 3HG2 VAL 9 -2.228 3.804 -1.266 57 H CYS 10 H CYS 10 -1.369 2.018 -0.563 58 HA CYS 10 HA CYS 10 0.053 0.945 1.577 59 1HB CYS 10 2HB CYS 10 0.542 0.418 -0.739 60 H ARG 11 H ARG 11 1.385 1.724 3.035 61 HA ARG 11 HA ARG 11 1.484 4.481 3.654 62 1HB ARG 11 2HB ARG 11 3.315 2.296 4.666 63 1HG ARG 11 2HG ARG 11 0.647 3.148 5.763 64 1HD ARG 11 2HD ARG 11 1.045 1.421 7.456 65 HE ARG 11 HE ARG 11 2.399 3.859 7.462 66 1HH1 ARG 11 2HH1 ARG 11 2.642 0.729 9.011 67 2HH1 ARG 11 1HH1 ARG 11 3.365 1.365 10.460 68 1HH2 ARG 11 2HH2 ARG 11 3.357 4.697 9.338 69 2HH2 ARG 11 1HH2 ARG 11 3.794 3.620 10.638 70 H ILE 12 H ILE 12 3.725 2.224 2.134 71 HA ILE 12 HA ILE 12 5.893 4.043 2.230 72 HB ILE 12 HB ILE 12 5.674 1.536 0.562 73 1HG1 ILE 12 2HG1 ILE 12 5.297 1.067 2.947 74 1HG2 ILE 12 1HG2 ILE 12 7.689 2.055 -0.208 75 2HG2 ILE 12 2HG2 ILE 12 7.677 3.551 0.726 76 3HG2 ILE 12 3HG2 ILE 12 8.316 2.069 1.442 77 1HD1 ILE 12 1HD1 ILE 12 6.568 3.060 3.821 78 2HD1 ILE 12 2HD1 ILE 12 6.839 1.530 4.655 79 3HD1 ILE 12 3HD1 ILE 12 8.038 2.136 3.514 80 H CYS 13 H CYS 13 3.837 2.875 -0.440 81 HA CYS 13 HA CYS 13 4.790 5.198 -1.943 82 1HB CYS 13 2HB CYS 13 4.016 4.162 -4.011 83 H LEU 14 H LEU 14 2.036 4.143 -3.357 84 HA LEU 14 HA LEU 14 0.069 5.215 -1.593 85 1HB LEU 14 2HB LEU 14 0.899 6.831 -3.997 86 HG LEU 14 HG LEU 14 1.836 7.556 -1.813 87 1HD1 LEU 14 1HD1 LEU 14 1.713 9.691 -2.465 88 2HD1 LEU 14 2HD1 LEU 14 0.730 9.076 -3.793 89 3HD1 LEU 14 3HD1 LEU 14 -0.046 9.725 -2.349 90 1HD2 LEU 14 1HD2 LEU 14 0.606 7.781 0.033 91 2HD2 LEU 14 2HD2 LEU 14 -0.688 8.619 -0.824 92 3HD2 LEU 14 3HD2 LEU 14 -0.629 6.857 -0.824 93 H SER 15 H SER 15 0.568 2.800 -2.926 94 HA SER 15 HA SER 15 -1.361 2.625 -5.088 95 1HB SER 15 2HB SER 15 0.194 0.454 -3.648 96 HG SER 15 HG SER 15 1.690 1.655 -4.704 97 H ALA 16 H ALA 16 -3.475 2.258 -4.756 98 HA ALA 16 HA ALA 16 -4.406 1.686 -2.063 99 1HB ALA 16 1HB ALA 16 -6.329 1.907 -4.297 100 2HB ALA 16 2HB ALA 16 -6.378 2.611 -2.680 101 3HB ALA 16 3HB ALA 16 -5.367 3.337 -3.928 102 H PHE 17 H PHE 17 -5.392 -0.188 -1.403 103 HA PHE 17 HA PHE 17 -5.915 -2.250 -3.410 104 1HB PHE 17 2HB PHE 17 -4.402 -2.763 -0.837 105 HD1 PHE 17 1HD PHE 17 -3.557 -4.784 -3.575 106 HD2 PHE 17 2HD PHE 17 -2.762 -1.013 -1.802 107 HE1 PHE 17 1HE PHE 17 -1.403 -4.695 -4.753 108 HE2 PHE 17 2HE PHE 17 -0.612 -0.901 -2.987 109 HZ PHE 17 HZ PHE 17 0.073 -2.744 -4.464 110 H THR 18 H THR 18 -7.492 -3.786 -2.810 111 HA THR 18 HA THR 18 -9.540 -2.687 -1.187 112 HB THR 18 HB THR 18 -10.701 -4.875 -1.653 113 HG1 THR 18 1HG THR 18 -9.611 -6.196 -3.267 114 1HG2 THR 18 1HG2 THR 18 -9.645 -3.070 -3.789 115 2HG2 THR 18 2HG2 THR 18 -11.290 -3.239 -3.175 116 3HG2 THR 18 3HG2 THR 18 -10.614 -4.474 -4.236 117 H THR 19 H THR 19 -7.889 -5.845 -0.878 118 HA THR 19 HA THR 19 -8.627 -5.903 1.941 119 HB THR 19 HB THR 19 -7.810 -8.215 1.941 120 HG1 THR 19 1HG THR 19 -7.485 -8.462 -0.766 121 1HG2 THR 19 1HG2 THR 19 -9.503 -9.178 0.552 122 2HG2 THR 19 2HG2 THR 19 -9.543 -7.749 -0.481 123 3HG2 THR 19 3HG2 THR 19 -10.128 -7.650 1.179 124 H LYS 20 H LYS 20 -7.185 -6.264 3.598 125 HA LYS 20 HA LYS 20 -4.721 -4.879 3.607 126 1HB LYS 20 2HB LYS 20 -5.787 -7.065 5.403 127 1HG LYS 20 2HG LYS 20 -5.482 -4.137 5.853 128 1HD LYS 20 2HD LYS 20 -6.780 -6.268 7.536 129 1HE LYS 20 2HE LYS 20 -6.494 -3.302 8.007 130 1HZ LYS 20 1HZ LYS 20 -7.936 -3.800 9.932 131 2HZ LYS 20 2HZ LYS 20 -6.374 -4.452 10.066 132 3HZ LYS 20 3HZ LYS 20 -7.686 -5.455 9.661 133 H ALA 21 H ALA 21 -5.654 -8.157 2.982 134 HA ALA 21 HA ALA 21 -3.224 -9.403 3.144 135 1HB ALA 21 1HB ALA 21 -5.804 -9.967 1.825 136 2HB ALA 21 2HB ALA 21 -4.412 -10.865 1.212 137 3HB ALA 21 3HB ALA 21 -4.847 -10.968 2.919 138 H ASN 22 H ASN 22 -4.682 -7.685 0.395 139 HA ASN 22 HA ASN 22 -2.626 -8.325 -1.466 140 1HB ASN 22 2HB ASN 22 -4.484 -5.939 -1.419 141 1HD2 ASN 22 1HD2 ASN 22 -6.469 -6.344 -2.012 142 2HD2 ASN 22 2HD2 ASN 22 -7.035 -7.788 -2.776 143 H CYS 23 H CYS 23 -3.084 -5.620 0.762 144 HA CYS 23 HA CYS 23 -0.845 -4.130 -0.067 145 1HB CYS 23 2HB CYS 23 -2.665 -3.193 1.311 146 HG CYS 23 HG CYS 23 -1.245 -1.195 2.023 147 H ALA 24 H ALA 24 -1.244 -6.653 2.377 148 HA ALA 24 HA ALA 24 1.285 -6.485 3.556 149 1HB ALA 24 1HB ALA 24 -0.972 -8.166 3.748 150 2HB ALA 24 2HB ALA 24 0.435 -9.204 3.518 151 3HB ALA 24 3HB ALA 24 0.400 -8.050 4.849 152 H ARG 25 H ARG 25 0.189 -8.555 0.854 153 HA ARG 25 HA ARG 25 2.761 -9.713 0.467 154 1HB ARG 25 2HB ARG 25 1.893 -10.615 -1.621 155 1HG ARG 25 2HG ARG 25 -0.594 -9.000 -1.133 156 1HD ARG 25 2HD ARG 25 0.160 -10.985 -3.268 157 HE ARG 25 HE ARG 25 -1.710 -8.899 -3.459 158 1HH1 ARG 25 2HH1 ARG 25 -1.466 -12.351 -3.943 159 2HH1 ARG 25 1HH1 ARG 25 -2.689 -12.408 -5.176 160 1HH2 ARG 25 2HH2 ARG 25 -3.333 -8.957 -5.066 161 2HH2 ARG 25 1HH2 ARG 25 -3.749 -10.465 -5.824 162 H HIS 26 H HIS 26 1.133 -6.903 -0.803 163 HA HIS 26 HA HIS 26 2.858 -6.177 -2.890 164 1HB HIS 26 2HB HIS 26 0.797 -5.005 -2.660 165 HD1 HIS 26 1HD HIS 26 2.404 -3.668 -4.502 166 HD2 HIS 26 2HD HIS 26 2.311 -2.230 -0.597 167 HE1 HIS 26 1HE HIS 26 3.424 -1.337 -4.553 168 H LEU 27 H LEU 27 2.966 -5.481 0.563 169 HA LEU 27 HA LEU 27 4.732 -3.478 0.712 170 1HB LEU 27 2HB LEU 27 3.547 -4.523 2.607 171 HG LEU 27 HG LEU 27 6.509 -4.227 3.121 172 1HD1 LEU 27 1HD1 LEU 27 5.809 -2.172 2.292 173 2HD1 LEU 27 2HD1 LEU 27 4.207 -2.317 3.018 174 3HD1 LEU 27 3HD1 LEU 27 5.609 -1.985 4.035 175 1HD2 LEU 27 1HD2 LEU 27 4.862 -3.555 5.345 176 2HD2 LEU 27 2HD2 LEU 27 4.444 -5.181 4.805 177 3HD2 LEU 27 3HD2 LEU 27 6.112 -4.794 5.230 178 H LYS 28 H LYS 28 5.661 -6.872 0.350 179 HA LYS 28 HA LYS 28 8.378 -6.616 0.869 180 1HB LYS 28 2HB LYS 28 8.691 -8.721 -0.287 181 1HG LYS 28 2HG LYS 28 5.888 -8.368 -1.307 182 1HD LYS 28 2HD LYS 28 7.720 -10.766 -1.342 183 1HE LYS 28 2HE LYS 28 5.844 -11.897 -2.484 184 1HZ LYS 28 1HZ LYS 28 6.422 -9.678 -4.273 185 2HZ LYS 28 2HZ LYS 28 6.603 -11.345 -4.517 186 3HZ LYS 28 3HZ LYS 28 7.769 -10.490 -3.636 187 H VAL 29 H VAL 29 6.675 -5.573 -1.975 188 HA VAL 29 HA VAL 29 8.811 -5.605 -3.802 189 HB VAL 29 HB VAL 29 7.703 -3.871 -5.054 190 1HG1 VAL 29 1HG1 VAL 29 6.322 -5.432 -5.770 191 2HG1 VAL 29 2HG1 VAL 29 6.442 -6.274 -4.225 192 3HG1 VAL 29 3HG1 VAL 29 5.203 -5.042 -4.464 193 1HG2 VAL 29 1HG2 VAL 29 5.591 -2.831 -4.168 194 2HG2 VAL 29 2HG2 VAL 29 6.062 -3.422 -2.574 195 3HG2 VAL 29 3HG2 VAL 29 7.090 -2.270 -3.428 196 H HIS 30 H HIS 30 7.966 -3.337 -1.239 197 HA HIS 30 HA HIS 30 10.051 -1.468 -1.921 198 1HB HIS 30 2HB HIS 30 8.362 -1.690 0.573 199 HD1 HIS 30 1HD HIS 30 8.646 0.730 -2.414 200 HD2 HIS 30 2HD HIS 30 5.833 -1.174 -0.004 201 HE1 HIS 30 1HE HIS 30 6.366 1.548 -3.167 202 H THR 31 H THR 31 10.762 -4.311 -1.267 203 HA THR 31 HA THR 31 13.172 -3.771 0.055 204 HB THR 31 HB THR 31 11.745 -3.647 2.076 205 HG1 THR 31 1HG THR 31 13.940 -4.538 2.125 206 1HG2 THR 31 1HG2 THR 31 10.317 -5.708 0.971 207 2HG2 THR 31 2HG2 THR 31 10.192 -5.158 2.642 208 3HG2 THR 31 3HG2 THR 31 11.237 -6.521 2.239 209 H ASP 32 H ASP 32 12.163 -5.000 -2.261 210 HA ASP 32 HA ASP 32 13.769 -7.342 -2.350 211 1HB ASP 32 2HB ASP 32 11.805 -8.376 -1.320 212 H THR 33 H THR 33 11.002 -5.746 -3.870 213 HA THR 33 HA THR 33 12.126 -6.184 -6.520 214 HB THR 33 HB THR 33 9.555 -4.756 -5.808 215 HG1 THR 33 1HG THR 33 10.253 -7.456 -5.836 216 1HG2 THR 33 1HG2 THR 33 8.959 -5.661 -8.123 217 2HG2 THR 33 2HG2 THR 33 10.681 -5.978 -8.321 218 3HG2 THR 33 3HG2 THR 33 10.112 -4.328 -8.071 219 H LEU 34 H LEU 34 13.839 -4.664 -5.149 220 HA LEU 34 HA LEU 34 13.735 -2.105 -6.510 221 1HB LEU 34 2HB LEU 34 13.885 -2.311 -3.498 222 HG LEU 34 HG LEU 34 11.566 -2.066 -4.313 223 1HD1 LEU 34 1HD1 LEU 34 12.821 -0.683 -2.329 224 2HD1 LEU 34 2HD1 LEU 34 12.058 0.616 -3.247 225 3HD1 LEU 34 3HD1 LEU 34 11.079 -0.703 -2.602 226 1HD2 LEU 34 1HD2 LEU 34 12.810 0.187 -5.816 227 2HD2 LEU 34 2HD2 LEU 34 11.589 -0.976 -6.334 228 3HD2 LEU 34 3HD2 LEU 34 11.145 0.348 -5.256 229 H SER 35 H SER 35 15.737 -1.298 -6.932 230 HA SER 35 HA SER 35 18.096 -2.241 -5.607 231 1HB SER 35 2HB SER 35 17.551 -4.145 -7.139 232 HG SER 35 HG SER 35 19.783 -3.510 -6.692 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -10.288 -11.708 9.454 2 2H GLY 1 2H GLY 1 -9.489 -13.151 9.849 3 3H GLY 1 3H GLY 1 -9.888 -12.815 8.233 4 1HA GLY 1 2HA GLY 1 -7.721 -11.759 9.882 5 2HA GLY 1 1HA GLY 1 -7.706 -12.232 8.189 6 H SER 2 H SER 2 -9.742 -10.790 7.121 7 HA SER 2 HA SER 2 -10.009 -8.139 7.918 8 1HB SER 2 2HB SER 2 -8.571 -6.967 6.268 9 HG SER 2 HG SER 2 -7.053 -9.311 5.951 10 H SER 3 H SER 3 -9.425 -7.668 4.786 11 HA SER 3 HA SER 3 -10.582 -7.590 2.858 12 1HB SER 3 2HB SER 3 -12.067 -9.979 3.974 13 HG SER 3 HG SER 3 -10.370 -11.049 3.394 14 H GLY 4 H GLY 4 -12.033 -6.163 2.235 15 1HA GLY 4 1HA GLY 4 -14.684 -5.966 2.745 16 2HA GLY 4 2HA GLY 4 -13.974 -5.208 4.163 17 H LYS 5 H LYS 5 -14.307 -3.136 3.959 18 HA LYS 5 HA LYS 5 -14.510 -1.648 1.598 19 1HB LYS 5 2HB LYS 5 -15.384 -0.843 3.728 20 1HG LYS 5 2HG LYS 5 -13.162 0.972 2.822 21 1HD LYS 5 2HD LYS 5 -14.159 1.636 4.959 22 1HE LYS 5 2HE LYS 5 -16.743 1.685 3.405 23 1HZ LYS 5 1HZ LYS 5 -17.612 2.306 5.693 24 2HZ LYS 5 2HZ LYS 5 -16.813 3.520 4.821 25 3HZ LYS 5 3HZ LYS 5 -16.011 2.718 6.081 26 H ARG 6 H ARG 6 -13.054 -0.203 0.597 27 HA ARG 6 HA ARG 6 -10.248 -0.994 0.894 28 1HB ARG 6 2HB ARG 6 -11.213 -1.475 -1.274 29 1HG ARG 6 2HG ARG 6 -9.422 0.925 -1.577 30 1HD ARG 6 2HD ARG 6 -8.737 -0.098 -3.656 31 HE ARG 6 HE ARG 6 -11.468 -0.237 -4.319 32 1HH1 ARG 6 2HH1 ARG 6 -9.127 2.056 -3.013 33 2HH1 ARG 6 1HH1 ARG 6 -10.026 3.444 -3.540 34 1HH2 ARG 6 2HH2 ARG 6 -12.626 1.619 -4.992 35 2HH2 ARG 6 1HH2 ARG 6 -11.984 3.203 -4.658 36 HA PRO 7 HA PRO 7 -10.046 3.558 1.964 37 1HB PRO 7 2HB PRO 7 -9.318 3.071 4.644 38 1HG PRO 7 2HG PRO 7 -10.561 1.314 5.357 39 1HD PRO 7 2HD PRO 7 -9.669 0.081 3.620 40 H PHE 8 H PHE 8 -8.365 0.737 2.019 41 HA PHE 8 HA PHE 8 -5.960 1.458 3.296 42 1HB PHE 8 2HB PHE 8 -6.469 -0.798 1.346 43 HD1 PHE 8 1HD PHE 8 -7.126 0.494 4.693 44 HD2 PHE 8 2HD PHE 8 -7.101 -2.962 2.210 45 HE1 PHE 8 1HE PHE 8 -8.551 -0.679 6.315 46 HE2 PHE 8 2HE PHE 8 -8.518 -4.144 3.830 47 HZ PHE 8 HZ PHE 8 -9.260 -2.996 5.881 48 H VAL 9 H VAL 9 -4.124 2.255 2.543 49 HA VAL 9 HA VAL 9 -3.536 2.244 -0.287 50 HB VAL 9 HB VAL 9 -4.718 4.400 0.367 51 1HG1 VAL 9 1HG1 VAL 9 -3.960 5.738 1.948 52 2HG1 VAL 9 2HG1 VAL 9 -2.847 4.441 2.398 53 3HG1 VAL 9 3HG1 VAL 9 -2.325 5.704 1.281 54 1HG2 VAL 9 1HG2 VAL 9 -2.869 5.796 -0.845 55 2HG2 VAL 9 2HG2 VAL 9 -2.098 4.226 -1.039 56 3HG2 VAL 9 3HG2 VAL 9 -3.709 4.503 -1.698 57 H CYS 10 H CYS 10 -1.339 2.108 -0.638 58 HA CYS 10 HA CYS 10 0.171 1.004 1.405 59 1HB CYS 10 2HB CYS 10 0.600 0.588 -0.964 60 H ARG 11 H ARG 11 1.554 1.747 2.843 61 HA ARG 11 HA ARG 11 1.568 4.507 3.478 62 1HB ARG 11 2HB ARG 11 3.143 3.841 5.284 63 1HG ARG 11 2HG ARG 11 2.793 1.053 4.211 64 1HD ARG 11 2HD ARG 11 2.741 1.230 6.671 65 HE ARG 11 HE ARG 11 4.907 3.028 6.338 66 1HH1 ARG 11 2HH1 ARG 11 3.664 0.538 8.468 67 2HH1 ARG 11 1HH1 ARG 11 4.604 1.052 9.837 68 1HH2 ARG 11 2HH2 ARG 11 6.152 3.706 8.125 69 2HH2 ARG 11 1HH2 ARG 11 6.032 2.858 9.638 70 H ILE 12 H ILE 12 3.876 2.328 1.951 71 HA ILE 12 HA ILE 12 5.978 4.271 2.020 72 HB ILE 12 HB ILE 12 5.869 1.732 0.394 73 1HG1 ILE 12 2HG1 ILE 12 5.558 1.246 2.778 74 1HG2 ILE 12 1HG2 ILE 12 8.463 2.126 0.950 75 2HG2 ILE 12 2HG2 ILE 12 7.678 2.760 -0.496 76 3HG2 ILE 12 3HG2 ILE 12 7.914 3.803 0.908 77 1HD1 ILE 12 1HD1 ILE 12 8.190 2.588 3.299 78 2HD1 ILE 12 2HD1 ILE 12 6.626 3.322 3.658 79 3HD1 ILE 12 3HD1 ILE 12 7.107 1.830 4.469 80 H CYS 13 H CYS 13 4.011 2.873 -0.643 81 HA CYS 13 HA CYS 13 4.760 5.250 -2.179 82 1HB CYS 13 2HB CYS 13 4.040 4.164 -4.221 83 H LEU 14 H LEU 14 2.014 4.058 -3.533 84 HA LEU 14 HA LEU 14 0.067 5.165 -1.735 85 1HB LEU 14 2HB LEU 14 0.730 6.596 -4.306 86 HG LEU 14 HG LEU 14 1.813 7.533 -2.283 87 1HD1 LEU 14 1HD1 LEU 14 1.321 9.037 -4.074 88 2HD1 LEU 14 2HD1 LEU 14 -0.370 9.154 -3.579 89 3HD1 LEU 14 3HD1 LEU 14 0.895 9.839 -2.561 90 1HD2 LEU 14 1HD2 LEU 14 -0.389 8.758 -1.029 91 2HD2 LEU 14 2HD2 LEU 14 -0.787 7.046 -1.176 92 3HD2 LEU 14 3HD2 LEU 14 0.695 7.541 -0.359 93 H SER 15 H SER 15 0.574 2.653 -2.967 94 HA SER 15 HA SER 15 -1.449 2.346 -5.021 95 1HB SER 15 2HB SER 15 0.147 0.250 -3.518 96 HG SER 15 HG SER 15 1.548 1.476 -4.745 97 H ALA 16 H ALA 16 -3.553 2.112 -4.539 98 HA ALA 16 HA ALA 16 -4.351 1.591 -1.789 99 1HB ALA 16 1HB ALA 16 -6.396 1.839 -3.919 100 2HB ALA 16 2HB ALA 16 -6.354 2.532 -2.295 101 3HB ALA 16 3HB ALA 16 -5.401 3.258 -3.593 102 H PHE 17 H PHE 17 -5.363 -0.272 -1.075 103 HA PHE 17 HA PHE 17 -5.919 -2.333 -3.091 104 1HB PHE 17 2HB PHE 17 -4.499 -2.877 -0.476 105 HD1 PHE 17 1HD PHE 17 -2.754 -1.187 -1.309 106 HD2 PHE 17 2HD PHE 17 -3.662 -4.824 -3.320 107 HE1 PHE 17 1HE PHE 17 -0.603 -1.070 -2.496 108 HE2 PHE 17 2HE PHE 17 -1.512 -4.717 -4.510 109 HZ PHE 17 HZ PHE 17 0.023 -2.834 -4.095 110 H THR 18 H THR 18 -7.642 -3.606 -2.732 111 HA THR 18 HA THR 18 -9.752 -2.626 -1.191 112 HB THR 18 HB THR 18 -10.850 -4.815 -1.732 113 HG1 THR 18 1HG THR 18 -9.722 -6.357 -2.779 114 1HG2 THR 18 1HG2 THR 18 -11.261 -3.188 -3.338 115 2HG2 THR 18 2HG2 THR 18 -10.556 -4.494 -4.290 116 3HG2 THR 18 3HG2 THR 18 -9.571 -3.107 -3.831 117 H THR 19 H THR 19 -7.405 -5.155 -0.545 118 HA THR 19 HA THR 19 -8.481 -5.431 2.177 119 HB THR 19 HB THR 19 -8.045 -7.840 2.084 120 HG1 THR 19 1HG THR 19 -7.794 -8.167 -0.578 121 1HG2 THR 19 1HG2 THR 19 -9.982 -6.511 0.337 122 2HG2 THR 19 2HG2 THR 19 -10.215 -7.820 1.496 123 3HG2 THR 19 3HG2 THR 19 -9.631 -8.176 -0.130 124 H LYS 20 H LYS 20 -6.988 -5.995 3.770 125 HA LYS 20 HA LYS 20 -4.369 -4.971 3.603 126 1HB LYS 20 2HB LYS 20 -5.318 -7.162 5.460 127 1HG LYS 20 2HG LYS 20 -6.877 -5.271 5.516 128 1HD LYS 20 2HD LYS 20 -5.071 -3.536 4.971 129 1HE LYS 20 2HE LYS 20 -4.133 -2.390 6.925 130 1HZ LYS 20 1HZ LYS 20 -3.279 -5.237 6.857 131 2HZ LYS 20 2HZ LYS 20 -2.385 -3.933 7.464 132 3HZ LYS 20 3HZ LYS 20 -2.723 -4.018 5.810 133 H ALA 21 H ALA 21 -5.807 -8.054 2.997 134 HA ALA 21 HA ALA 21 -3.683 -9.781 2.894 135 1HB ALA 21 1HB ALA 21 -5.494 -11.041 2.532 136 2HB ALA 21 2HB ALA 21 -6.405 -9.678 1.879 137 3HB ALA 21 3HB ALA 21 -5.329 -10.608 0.832 138 H ASN 22 H ASN 22 -4.899 -7.627 0.333 139 HA ASN 22 HA ASN 22 -2.973 -8.473 -1.609 140 1HB ASN 22 2HB ASN 22 -4.666 -5.974 -1.483 141 1HD2 ASN 22 1HD2 ASN 22 -6.693 -6.382 -1.908 142 2HD2 ASN 22 2HD2 ASN 22 -7.303 -7.710 -2.823 143 H CYS 23 H CYS 23 -3.148 -5.786 0.685 144 HA CYS 23 HA CYS 23 -0.846 -4.450 -0.224 145 1HB CYS 23 2HB CYS 23 -2.552 -3.411 1.230 146 HG CYS 23 HG CYS 23 0.089 -2.238 1.030 147 H ALA 24 H ALA 24 -1.304 -7.021 2.146 148 HA ALA 24 HA ALA 24 1.189 -7.000 3.366 149 1HB ALA 24 1HB ALA 24 -0.880 -9.091 2.920 150 2HB ALA 24 2HB ALA 24 0.696 -9.580 3.541 151 3HB ALA 24 3HB ALA 24 -0.275 -8.402 4.427 152 H ARG 25 H ARG 25 0.194 -8.755 0.424 153 HA ARG 25 HA ARG 25 2.757 -9.926 0.002 154 1HB ARG 25 2HB ARG 25 1.952 -10.552 -2.216 155 1HG ARG 25 2HG ARG 25 -0.513 -8.944 -1.598 156 1HD ARG 25 2HD ARG 25 0.197 -10.687 -3.952 157 HE ARG 25 HE ARG 25 -1.624 -8.573 -3.872 158 1HH1 ARG 25 2HH1 ARG 25 -1.535 -11.964 -4.713 159 2HH1 ARG 25 1HH1 ARG 25 -2.814 -11.843 -5.886 160 1HH2 ARG 25 2HH2 ARG 25 -3.299 -8.401 -5.440 161 2HH2 ARG 25 1HH2 ARG 25 -3.810 -9.815 -6.299 162 H HIS 26 H HIS 26 1.244 -6.953 -0.966 163 HA HIS 26 HA HIS 26 3.022 -6.125 -2.969 164 1HB HIS 26 2HB HIS 26 0.910 -5.029 -2.709 165 HD1 HIS 26 1HD HIS 26 2.575 -3.747 -4.550 166 HD2 HIS 26 2HD HIS 26 2.378 -2.211 -0.689 167 HE1 HIS 26 1HE HIS 26 3.554 -1.403 -4.648 168 H LEU 27 H LEU 27 2.999 -5.492 0.509 169 HA LEU 27 HA LEU 27 4.724 -3.459 0.687 170 1HB LEU 27 2HB LEU 27 3.469 -4.424 2.561 171 HG LEU 27 HG LEU 27 6.403 -4.130 3.220 172 1HD1 LEU 27 1HD1 LEU 27 4.999 -1.847 3.981 173 2HD1 LEU 27 2HD1 LEU 27 6.119 -2.002 2.623 174 3HD1 LEU 27 3HD1 LEU 27 4.389 -2.240 2.371 175 1HD2 LEU 27 1HD2 LEU 27 5.844 -3.979 5.447 176 2HD2 LEU 27 2HD2 LEU 27 4.173 -3.528 5.108 177 3HD2 LEU 27 3HD2 LEU 27 4.696 -5.199 4.897 178 H LYS 28 H LYS 28 5.761 -6.832 0.471 179 HA LYS 28 HA LYS 28 8.401 -6.593 1.177 180 1HB LYS 28 2HB LYS 28 8.830 -8.587 -0.212 181 1HG LYS 28 2HG LYS 28 5.969 -8.270 -1.093 182 1HD LYS 28 2HD LYS 28 7.980 -10.428 -1.720 183 1HE LYS 28 2HE LYS 28 6.109 -11.546 -2.787 184 1HZ LYS 28 1HZ LYS 28 5.971 -8.880 -3.977 185 2HZ LYS 28 2HZ LYS 28 6.165 -10.385 -4.720 186 3HZ LYS 28 3HZ LYS 28 7.479 -9.653 -3.940 187 H VAL 29 H VAL 29 6.958 -5.554 -1.842 188 HA VAL 29 HA VAL 29 9.228 -5.512 -3.454 189 HB VAL 29 HB VAL 29 8.150 -3.841 -4.834 190 1HG1 VAL 29 1HG1 VAL 29 6.925 -6.283 -4.012 191 2HG1 VAL 29 2HG1 VAL 29 5.678 -5.112 -4.441 192 3HG1 VAL 29 3HG1 VAL 29 6.940 -5.520 -5.604 193 1HG2 VAL 29 1HG2 VAL 29 7.321 -2.505 -2.796 194 2HG2 VAL 29 2HG2 VAL 29 6.316 -2.538 -4.247 195 3HG2 VAL 29 3HG2 VAL 29 5.909 -3.560 -2.868 196 H HIS 30 H HIS 30 8.155 -3.209 -1.013 197 HA HIS 30 HA HIS 30 10.149 -1.251 -1.694 198 1HB HIS 30 2HB HIS 30 8.348 -1.473 0.718 199 HD1 HIS 30 1HD HIS 30 8.741 0.833 -2.330 200 HD2 HIS 30 2HD HIS 30 5.845 -1.063 -0.021 201 HE1 HIS 30 1HE HIS 30 6.483 1.519 -3.282 202 H THR 31 H THR 31 11.409 -3.680 -1.253 203 HA THR 31 HA THR 31 13.485 -2.867 0.398 204 HB THR 31 HB THR 31 12.088 -3.350 2.323 205 HG1 THR 31 1HG THR 31 14.230 -3.851 2.650 206 1HG2 THR 31 1HG2 THR 31 11.960 -6.261 1.646 207 2HG2 THR 31 2HG2 THR 31 10.742 -5.153 1.013 208 3HG2 THR 31 3HG2 THR 31 10.961 -5.321 2.755 209 H ASP 32 H ASP 32 11.777 -5.772 -0.742 210 HA ASP 32 HA ASP 32 14.291 -7.019 -1.541 211 1HB ASP 32 2HB ASP 32 11.420 -7.900 -2.008 212 H THR 33 H THR 33 12.850 -8.080 -3.993 213 HA THR 33 HA THR 33 13.409 -5.872 -5.778 214 HB THR 33 HB THR 33 12.668 -7.515 -7.554 215 HG1 THR 33 1HG THR 33 12.908 -9.479 -5.510 216 1HG2 THR 33 1HG2 THR 33 15.073 -7.358 -6.085 217 2HG2 THR 33 2HG2 THR 33 14.845 -7.935 -7.736 218 3HG2 THR 33 3HG2 THR 33 14.771 -9.070 -6.388 219 H LEU 34 H LEU 34 11.865 -4.702 -6.863 220 HA LEU 34 HA LEU 34 9.337 -4.543 -5.552 221 1HB LEU 34 2HB LEU 34 10.445 -3.016 -7.907 222 HG LEU 34 HG LEU 34 10.070 -2.161 -5.036 223 1HD1 LEU 34 1HD1 LEU 34 12.582 -2.096 -6.682 224 2HD1 LEU 34 2HD1 LEU 34 12.405 -1.840 -4.947 225 3HD1 LEU 34 3HD1 LEU 34 12.155 -3.446 -5.632 226 1HD2 LEU 34 1HD2 LEU 34 9.904 -0.057 -5.701 227 2HD2 LEU 34 2HD2 LEU 34 11.348 -0.215 -6.701 228 3HD2 LEU 34 3HD2 LEU 34 9.767 -0.630 -7.364 229 H SER 35 H SER 35 9.333 -7.022 -6.655 230 HA SER 35 HA SER 35 6.953 -6.905 -8.230 231 1HB SER 35 2HB SER 35 8.679 -6.617 -9.993 232 HG SER 35 HG SER 35 6.746 -7.867 -10.419 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -14.284 -12.136 5.080 2 2H GLY 1 2H GLY 1 -15.769 -12.839 4.652 3 3H GLY 1 3H GLY 1 -15.733 -11.473 5.656 4 1HA GLY 1 2HA GLY 1 -16.196 -11.365 3.045 5 2HA GLY 1 1HA GLY 1 -15.504 -10.042 3.972 6 H SER 2 H SER 2 -15.205 -11.244 1.147 7 HA SER 2 HA SER 2 -12.397 -11.873 0.951 8 1HB SER 2 2HB SER 2 -14.418 -11.170 -1.198 9 HG SER 2 HG SER 2 -13.615 -13.745 -1.086 10 H SER 3 H SER 3 -12.554 -10.022 -1.619 11 HA SER 3 HA SER 3 -11.119 -7.840 -0.455 12 1HB SER 3 2HB SER 3 -12.220 -8.178 -3.255 13 HG SER 3 HG SER 3 -9.812 -8.578 -3.535 14 H GLY 4 H GLY 4 -11.961 -6.034 0.390 15 1HA GLY 4 1HA GLY 4 -14.829 -5.556 0.177 16 2HA GLY 4 2HA GLY 4 -13.700 -4.684 1.203 17 H LYS 5 H LYS 5 -14.156 -2.635 0.672 18 HA LYS 5 HA LYS 5 -14.125 -1.729 -2.091 19 1HB LYS 5 2HB LYS 5 -14.210 0.559 -1.040 20 1HG LYS 5 2HG LYS 5 -14.801 -0.887 1.524 21 1HD LYS 5 2HD LYS 5 -14.676 1.350 2.488 22 1HE LYS 5 2HE LYS 5 -16.668 2.371 1.456 23 1HZ LYS 5 1HZ LYS 5 -16.571 -0.021 2.733 24 2HZ LYS 5 2HZ LYS 5 -17.497 -0.376 1.354 25 3HZ LYS 5 3HZ LYS 5 -17.979 0.868 2.402 26 H ARG 6 H ARG 6 -12.557 0.475 -2.097 27 HA ARG 6 HA ARG 6 -9.904 -0.623 -1.428 28 1HB ARG 6 2HB ARG 6 -10.659 1.136 -3.758 29 1HG ARG 6 2HG ARG 6 -9.616 -1.683 -3.619 30 1HD ARG 6 2HD ARG 6 -8.583 -0.446 -5.457 31 HE ARG 6 HE ARG 6 -11.125 0.698 -5.861 32 1HH1 ARG 6 2HH1 ARG 6 -8.449 -0.641 -7.647 33 2HH1 ARG 6 1HH1 ARG 6 -8.719 0.329 -9.064 34 1HH2 ARG 6 2HH2 ARG 6 -11.525 1.978 -7.715 35 2HH2 ARG 6 1HH2 ARG 6 -10.470 1.843 -9.093 36 HA PRO 7 HA PRO 7 -10.121 3.465 0.769 37 1HB PRO 7 2HB PRO 7 -9.987 2.262 3.302 38 1HG PRO 7 2HG PRO 7 -11.107 0.304 3.178 39 1HD PRO 7 2HD PRO 7 -9.866 -0.374 1.373 40 H PHE 8 H PHE 8 -8.350 0.522 1.250 41 HA PHE 8 HA PHE 8 -6.312 1.548 2.907 42 1HB PHE 8 2HB PHE 8 -6.309 -0.925 1.154 43 HD1 PHE 8 1HD PHE 8 -5.946 -2.941 3.097 44 HD2 PHE 8 2HD PHE 8 -8.561 0.403 3.231 45 HE1 PHE 8 1HE PHE 8 -7.428 -4.168 4.619 46 HE2 PHE 8 2HE PHE 8 -10.055 -0.825 4.753 47 HZ PHE 8 HZ PHE 8 -9.478 -3.116 5.450 48 H VAL 9 H VAL 9 -4.444 2.557 2.349 49 HA VAL 9 HA VAL 9 -3.545 2.324 -0.427 50 HB VAL 9 HB VAL 9 -4.657 4.538 0.111 51 1HG1 VAL 9 1HG1 VAL 9 -2.710 6.070 1.173 52 2HG1 VAL 9 2HG1 VAL 9 -4.072 5.410 2.081 53 3HG1 VAL 9 3HG1 VAL 9 -2.512 4.581 2.099 54 1HG2 VAL 9 1HG2 VAL 9 -2.556 5.829 -0.846 55 2HG2 VAL 9 2HG2 VAL 9 -1.960 4.182 -1.063 56 3HG2 VAL 9 3HG2 VAL 9 -3.471 4.680 -1.823 57 H CYS 10 H CYS 10 -1.375 2.023 -0.660 58 HA CYS 10 HA CYS 10 0.035 0.885 1.426 59 1HB CYS 10 2HB CYS 10 0.533 0.452 -0.912 60 H ARG 11 H ARG 11 1.434 1.567 2.890 61 HA ARG 11 HA ARG 11 1.414 4.300 3.613 62 1HB ARG 11 2HB ARG 11 2.790 3.640 5.494 63 1HG ARG 11 2HG ARG 11 3.101 0.986 4.111 64 1HD ARG 11 2HD ARG 11 3.768 1.861 6.913 65 HE ARG 11 HE ARG 11 5.305 0.122 5.428 66 1HH1 ARG 11 2HH1 ARG 11 3.350 -0.150 8.310 67 2HH1 ARG 11 1HH1 ARG 11 4.425 -1.265 9.096 68 1HH2 ARG 11 2HH2 ARG 11 6.744 -1.321 6.448 69 2HH2 ARG 11 1HH2 ARG 11 6.367 -1.929 8.038 70 H ILE 12 H ILE 12 3.784 2.213 2.037 71 HA ILE 12 HA ILE 12 5.858 4.189 2.217 72 HB ILE 12 HB ILE 12 5.803 1.683 0.536 73 1HG1 ILE 12 2HG1 ILE 12 5.528 1.148 2.899 74 1HG2 ILE 12 1HG2 ILE 12 8.070 3.489 1.370 75 2HG2 ILE 12 2HG2 ILE 12 8.274 1.912 0.608 76 3HG2 ILE 12 3HG2 ILE 12 7.471 3.215 -0.267 77 1HD1 ILE 12 1HD1 ILE 12 7.795 3.039 3.287 78 2HD1 ILE 12 2HD1 ILE 12 6.304 2.861 4.213 79 3HD1 ILE 12 3HD1 ILE 12 7.593 1.666 4.375 80 H CYS 13 H CYS 13 3.950 2.864 -0.515 81 HA CYS 13 HA CYS 13 4.743 5.262 -1.992 82 1HB CYS 13 2HB CYS 13 4.049 4.191 -4.054 83 H LEU 14 H LEU 14 2.042 4.137 -3.435 84 HA LEU 14 HA LEU 14 0.040 5.160 -1.661 85 1HB LEU 14 2HB LEU 14 0.770 6.732 -4.131 86 HG LEU 14 HG LEU 14 1.783 7.580 -2.039 87 1HD1 LEU 14 1HD1 LEU 14 0.267 8.988 -3.937 88 2HD1 LEU 14 2HD1 LEU 14 -0.116 9.707 -2.373 89 3HD1 LEU 14 3HD1 LEU 14 1.561 9.613 -2.914 90 1HD2 LEU 14 1HD2 LEU 14 -0.797 6.948 -0.999 91 2HD2 LEU 14 2HD2 LEU 14 0.639 7.499 -0.136 92 3HD2 LEU 14 3HD2 LEU 14 -0.505 8.674 -0.786 93 H SER 15 H SER 15 0.565 2.714 -2.971 94 HA SER 15 HA SER 15 -1.397 2.486 -5.097 95 1HB SER 15 2HB SER 15 0.151 0.342 -3.614 96 HG SER 15 HG SER 15 1.598 1.593 -4.747 97 H ALA 16 H ALA 16 -3.514 2.214 -4.694 98 HA ALA 16 HA ALA 16 -4.393 1.630 -1.991 99 1HB ALA 16 1HB ALA 16 -5.440 3.328 -3.694 100 2HB ALA 16 2HB ALA 16 -6.325 1.904 -4.241 101 3HB ALA 16 3HB ALA 16 -6.458 2.432 -2.562 102 H PHE 17 H PHE 17 -5.375 -0.206 -1.305 103 HA PHE 17 HA PHE 17 -6.002 -2.290 -3.261 104 1HB PHE 17 2HB PHE 17 -4.480 -2.876 -0.709 105 HD1 PHE 17 1HD PHE 17 -2.744 -1.170 -1.566 106 HD2 PHE 17 2HD PHE 17 -3.702 -4.795 -3.572 107 HE1 PHE 17 1HE PHE 17 -0.615 -1.056 -2.786 108 HE2 PHE 17 2HE PHE 17 -1.572 -4.686 -4.794 109 HZ PHE 17 HZ PHE 17 -0.022 -2.815 -4.399 110 H THR 18 H THR 18 -7.591 -3.758 -2.555 111 HA THR 18 HA THR 18 -9.633 -2.604 -1.009 112 HB THR 18 HB THR 18 -10.672 -4.877 -1.099 113 HG1 THR 18 1HG THR 18 -8.545 -5.598 -2.825 114 1HG2 THR 18 1HG2 THR 18 -11.446 -3.716 -2.886 115 2HG2 THR 18 2HG2 THR 18 -10.475 -4.885 -3.781 116 3HG2 THR 18 3HG2 THR 18 -9.830 -3.277 -3.441 117 H THR 19 H THR 19 -7.273 -5.091 -0.276 118 HA THR 19 HA THR 19 -8.145 -5.092 2.532 119 HB THR 19 HB THR 19 -7.812 -7.531 2.542 120 HG1 THR 19 1HG THR 19 -7.814 -8.266 0.081 121 1HG2 THR 19 1HG2 THR 19 -9.924 -7.925 1.872 122 2HG2 THR 19 2HG2 THR 19 -9.618 -7.326 0.241 123 3HG2 THR 19 3HG2 THR 19 -9.974 -6.191 1.544 124 H LYS 20 H LYS 20 -6.634 -5.860 4.056 125 HA LYS 20 HA LYS 20 -3.945 -5.033 3.727 126 1HB LYS 20 2HB LYS 20 -5.085 -7.016 5.704 127 1HG LYS 20 2HG LYS 20 -6.133 -4.866 5.924 128 1HD LYS 20 2HD LYS 20 -3.330 -3.798 6.255 129 1HE LYS 20 2HE LYS 20 -5.985 -2.385 6.409 130 1HZ LYS 20 1HZ LYS 20 -4.848 -0.562 5.914 131 2HZ LYS 20 2HZ LYS 20 -3.401 -1.436 5.784 132 3HZ LYS 20 3HZ LYS 20 -3.876 -0.800 7.281 133 H ALA 21 H ALA 21 -5.706 -7.915 3.078 134 HA ALA 21 HA ALA 21 -3.720 -9.812 2.959 135 1HB ALA 21 1HB ALA 21 -5.344 -10.727 1.052 136 2HB ALA 21 2HB ALA 21 -5.780 -10.766 2.761 137 3HB ALA 21 3HB ALA 21 -6.397 -9.476 1.722 138 H ASN 22 H ASN 22 -4.934 -7.702 0.376 139 HA ASN 22 HA ASN 22 -3.026 -8.538 -1.576 140 1HB ASN 22 2HB ASN 22 -4.744 -6.056 -1.414 141 1HD2 ASN 22 1HD2 ASN 22 -6.772 -6.550 -1.680 142 2HD2 ASN 22 2HD2 ASN 22 -7.395 -7.857 -2.608 143 H CYS 23 H CYS 23 -3.203 -5.883 0.733 144 HA CYS 23 HA CYS 23 -0.989 -4.433 -0.157 145 1HB CYS 23 2HB CYS 23 -2.635 -3.535 1.415 146 HG CYS 23 HG CYS 23 0.636 -3.391 2.153 147 H ALA 24 H ALA 24 -1.200 -7.140 2.103 148 HA ALA 24 HA ALA 24 1.338 -7.005 3.224 149 1HB ALA 24 1HB ALA 24 -0.837 -8.803 3.285 150 2HB ALA 24 2HB ALA 24 0.615 -9.746 2.947 151 3HB ALA 24 3HB ALA 24 0.546 -8.718 4.377 152 H ARG 25 H ARG 25 0.320 -8.880 0.351 153 HA ARG 25 HA ARG 25 2.897 -9.932 -0.161 154 1HB ARG 25 2HB ARG 25 2.056 -10.510 -2.391 155 1HG ARG 25 2HG ARG 25 -0.462 -9.047 -1.642 156 1HD ARG 25 2HD ARG 25 0.287 -10.572 -4.133 157 HE ARG 25 HE ARG 25 -1.713 -8.634 -3.761 158 1HH1 ARG 25 2HH1 ARG 25 -1.215 -11.805 -5.172 159 2HH1 ARG 25 1HH1 ARG 25 -2.604 -11.689 -6.217 160 1HH2 ARG 25 2HH2 ARG 25 -3.522 -8.481 -5.148 161 2HH2 ARG 25 1HH2 ARG 25 -3.906 -9.798 -6.211 162 H HIS 26 H HIS 26 1.275 -6.996 -1.156 163 HA HIS 26 HA HIS 26 3.123 -6.113 -3.088 164 1HB HIS 26 2HB HIS 26 0.983 -5.063 -2.984 165 HD1 HIS 26 1HD HIS 26 2.660 -3.654 -4.689 166 HD2 HIS 26 2HD HIS 26 2.303 -2.283 -0.774 167 HE1 HIS 26 1HE HIS 26 3.621 -1.306 -4.643 168 H LEU 27 H LEU 27 2.864 -5.467 0.380 169 HA LEU 27 HA LEU 27 4.547 -3.409 0.674 170 1HB LEU 27 2HB LEU 27 3.202 -4.434 2.459 171 HG LEU 27 HG LEU 27 6.091 -4.103 3.297 172 1HD1 LEU 27 1HD1 LEU 27 4.310 -2.233 2.214 173 2HD1 LEU 27 2HD1 LEU 27 4.328 -1.928 3.953 174 3HD1 LEU 27 3HD1 LEU 27 5.836 -1.909 3.039 175 1HD2 LEU 27 1HD2 LEU 27 4.122 -5.192 4.800 176 2HD2 LEU 27 2HD2 LEU 27 5.455 -4.242 5.457 177 3HD2 LEU 27 3HD2 LEU 27 3.894 -3.480 5.155 178 H LYS 28 H LYS 28 5.615 -6.765 0.484 179 HA LYS 28 HA LYS 28 8.249 -6.359 1.272 180 1HB LYS 28 2HB LYS 28 8.768 -8.506 0.222 181 1HG LYS 28 2HG LYS 28 5.979 -8.378 -0.892 182 1HD LYS 28 2HD LYS 28 7.951 -10.664 -0.793 183 1HE LYS 28 2HE LYS 28 6.086 -11.966 -1.770 184 1HZ LYS 28 1HZ LYS 28 7.120 -11.615 -3.671 185 2HZ LYS 28 2HZ LYS 28 7.747 -10.145 -3.111 186 3HZ LYS 28 3HZ LYS 28 6.247 -10.178 -3.905 187 H VAL 29 H VAL 29 6.825 -5.518 -1.801 188 HA VAL 29 HA VAL 29 9.142 -5.595 -3.399 189 HB VAL 29 HB VAL 29 8.170 -3.883 -4.817 190 1HG1 VAL 29 1HG1 VAL 29 6.455 -6.117 -3.873 191 2HG1 VAL 29 2HG1 VAL 29 5.844 -4.995 -5.091 192 3HG1 VAL 29 3HG1 VAL 29 7.319 -5.918 -5.399 193 1HG2 VAL 29 1HG2 VAL 29 5.622 -3.460 -3.661 194 2HG2 VAL 29 2HG2 VAL 29 6.841 -3.043 -2.455 195 3HG2 VAL 29 3HG2 VAL 29 6.870 -2.274 -4.039 196 H HIS 30 H HIS 30 8.044 -3.242 -1.045 197 HA HIS 30 HA HIS 30 10.063 -1.321 -1.700 198 1HB HIS 30 2HB HIS 30 8.307 -1.619 0.743 199 HD1 HIS 30 1HD HIS 30 8.677 0.802 -2.230 200 HD2 HIS 30 2HD HIS 30 5.780 -1.141 0.036 201 HE1 HIS 30 1HE HIS 30 6.430 1.519 -3.151 202 H THR 31 H THR 31 9.569 -3.732 0.809 203 HA THR 31 HA THR 31 12.217 -3.287 1.874 204 HB THR 31 HB THR 31 11.611 -5.047 3.483 205 HG1 THR 31 1HG THR 31 10.156 -6.136 1.924 206 1HG2 THR 31 1HG2 THR 31 11.023 -2.701 3.930 207 2HG2 THR 31 2HG2 THR 31 9.865 -3.821 4.647 208 3HG2 THR 31 3HG2 THR 31 9.456 -2.963 3.163 209 H ASP 32 H ASP 32 12.278 -4.133 -0.848 210 HA ASP 32 HA ASP 32 14.139 -6.250 -0.629 211 1HB ASP 32 2HB ASP 32 12.134 -7.645 -0.394 212 H THR 33 H THR 33 11.794 -5.410 -3.239 213 HA THR 33 HA THR 33 14.024 -5.233 -5.055 214 HB THR 33 HB THR 33 12.008 -6.337 -5.849 215 HG1 THR 33 1HG THR 33 12.668 -3.908 -7.187 216 1HG2 THR 33 1HG2 THR 33 10.695 -3.956 -4.866 217 2HG2 THR 33 2HG2 THR 33 10.006 -5.512 -5.327 218 3HG2 THR 33 3HG2 THR 33 10.280 -4.273 -6.550 219 H LEU 34 H LEU 34 14.164 -3.330 -3.084 220 HA LEU 34 HA LEU 34 14.345 -0.974 -4.767 221 1HB LEU 34 2HB LEU 34 13.093 -0.910 -2.019 222 HG LEU 34 HG LEU 34 11.400 -1.314 -3.727 223 1HD1 LEU 34 1HD1 LEU 34 10.114 -0.024 -2.466 224 2HD1 LEU 34 2HD1 LEU 34 11.523 0.905 -1.953 225 3HD1 LEU 34 3HD1 LEU 34 10.628 1.385 -3.395 226 1HD2 LEU 34 1HD2 LEU 34 11.331 1.083 -5.157 227 2HD2 LEU 34 2HD2 LEU 34 13.006 0.538 -5.232 228 3HD2 LEU 34 3HD2 LEU 34 11.708 -0.523 -5.779 229 H SER 35 H SER 35 16.255 -2.776 -4.112 230 HA SER 35 HA SER 35 18.218 -1.098 -2.911 231 1HB SER 35 2HB SER 35 18.902 -2.762 -1.161 232 HG SER 35 HG SER 35 16.616 -4.052 -2.132 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -9.654 -12.872 6.854 2 2H GLY 1 2H GLY 1 -8.251 -11.958 6.597 3 3H GLY 1 3H GLY 1 -9.642 -11.658 5.671 4 1HA GLY 1 2HA GLY 1 -10.705 -11.250 8.017 5 2HA GLY 1 1HA GLY 1 -9.034 -10.901 8.431 6 H SER 2 H SER 2 -11.616 -9.311 8.033 7 HA SER 2 HA SER 2 -12.291 -7.280 7.309 8 1HB SER 2 2HB SER 2 -10.564 -5.491 7.422 9 HG SER 2 HG SER 2 -8.891 -7.533 6.972 10 H SER 3 H SER 3 -12.102 -9.010 5.160 11 HA SER 3 HA SER 3 -10.867 -7.630 2.937 12 1HB SER 3 2HB SER 3 -12.086 -9.338 1.574 13 HG SER 3 HG SER 3 -13.874 -9.594 3.036 14 H GLY 4 H GLY 4 -11.857 -6.085 1.635 15 1HA GLY 4 1HA GLY 4 -14.540 -5.913 1.061 16 2HA GLY 4 2HA GLY 4 -14.369 -5.048 2.572 17 H LYS 5 H LYS 5 -14.536 -3.030 2.194 18 HA LYS 5 HA LYS 5 -14.320 -1.695 -0.185 19 1HB LYS 5 2HB LYS 5 -14.305 0.383 1.197 20 1HG LYS 5 2HG LYS 5 -14.283 -1.520 3.531 21 1HD LYS 5 2HD LYS 5 -14.422 1.487 3.403 22 1HE LYS 5 2HE LYS 5 -13.179 0.687 5.344 23 1HZ LYS 5 1HZ LYS 5 -15.285 -1.265 5.443 24 2HZ LYS 5 2HZ LYS 5 -15.020 -0.510 6.937 25 3HZ LYS 5 3HZ LYS 5 -13.742 -1.298 6.149 26 H ARG 6 H ARG 6 -12.924 -0.031 -0.935 27 HA ARG 6 HA ARG 6 -10.138 -0.833 -0.593 28 1HB ARG 6 2HB ARG 6 -11.242 -1.038 -2.762 29 1HG ARG 6 2HG ARG 6 -9.186 1.144 -2.974 30 1HD ARG 6 2HD ARG 6 -10.056 -1.006 -4.902 31 HE ARG 6 HE ARG 6 -8.107 -0.449 -5.917 32 1HH1 ARG 6 2HH1 ARG 6 -9.453 2.488 -4.521 33 2HH1 ARG 6 1HH1 ARG 6 -8.180 3.501 -5.132 34 1HH2 ARG 6 2HH2 ARG 6 -6.459 0.899 -6.730 35 2HH2 ARG 6 1HH2 ARG 6 -6.481 2.605 -6.384 36 HA PRO 7 HA PRO 7 -9.769 3.698 0.721 37 1HB PRO 7 2HB PRO 7 -10.060 3.765 3.361 38 1HG PRO 7 2HG PRO 7 -10.501 1.596 3.945 39 1HD PRO 7 2HD PRO 7 -10.496 0.077 2.272 40 H PHE 8 H PHE 8 -8.527 0.742 1.234 41 HA PHE 8 HA PHE 8 -6.361 1.289 3.036 42 1HB PHE 8 2HB PHE 8 -6.733 -0.975 1.056 43 HD1 PHE 8 1HD PHE 8 -8.688 0.397 3.395 44 HD2 PHE 8 2HD PHE 8 -6.536 -3.210 2.757 45 HE1 PHE 8 1HE PHE 8 -10.279 -0.804 4.832 46 HE2 PHE 8 2HE PHE 8 -8.118 -4.416 4.195 47 HZ PHE 8 HZ PHE 8 -9.989 -3.214 5.240 48 H VAL 9 H VAL 9 -4.286 1.872 2.496 49 HA VAL 9 HA VAL 9 -3.489 1.954 -0.289 50 HB VAL 9 HB VAL 9 -4.701 4.088 0.382 51 1HG1 VAL 9 1HG1 VAL 9 -3.804 5.624 1.804 52 2HG1 VAL 9 2HG1 VAL 9 -3.340 4.119 2.599 53 3HG1 VAL 9 3HG1 VAL 9 -2.165 4.997 1.618 54 1HG2 VAL 9 1HG2 VAL 9 -2.074 3.868 -0.959 55 2HG2 VAL 9 2HG2 VAL 9 -3.633 4.379 -1.601 56 3HG2 VAL 9 3HG2 VAL 9 -2.675 5.493 -0.627 57 H CYS 10 H CYS 10 -1.297 1.897 -0.557 58 HA CYS 10 HA CYS 10 0.223 0.756 1.485 59 1HB CYS 10 2HB CYS 10 0.682 0.391 -0.877 60 H ARG 11 H ARG 11 1.595 1.537 2.934 61 HA ARG 11 HA ARG 11 1.538 4.339 3.491 62 1HB ARG 11 2HB ARG 11 2.939 3.752 5.445 63 1HG ARG 11 2HG ARG 11 2.741 0.937 4.395 64 1HD ARG 11 2HD ARG 11 2.258 1.045 6.792 65 HE ARG 11 HE ARG 11 3.322 2.691 7.955 66 1HH1 ARG 11 2HH1 ARG 11 5.723 0.970 6.064 67 2HH1 ARG 11 1HH1 ARG 11 7.036 2.003 6.553 68 1HH2 ARG 11 2HH2 ARG 11 5.049 4.052 8.588 69 2HH2 ARG 11 1HH2 ARG 11 6.650 3.762 7.967 70 H ILE 12 H ILE 12 3.797 2.123 1.983 71 HA ILE 12 HA ILE 12 5.994 3.976 2.131 72 HB ILE 12 HB ILE 12 5.764 1.512 0.408 73 1HG1 ILE 12 2HG1 ILE 12 5.554 0.959 2.793 74 1HG2 ILE 12 1HG2 ILE 12 7.451 3.242 -0.253 75 2HG2 ILE 12 2HG2 ILE 12 8.219 3.002 1.318 76 3HG2 ILE 12 3HG2 ILE 12 8.138 1.670 0.166 77 1HD1 ILE 12 1HD1 ILE 12 7.022 3.088 3.409 78 2HD1 ILE 12 2HD1 ILE 12 6.867 1.684 4.466 79 3HD1 ILE 12 3HD1 ILE 12 8.288 1.859 3.434 80 H CYS 13 H CYS 13 3.994 2.742 -0.585 81 HA CYS 13 HA CYS 13 4.790 5.171 -2.014 82 1HB CYS 13 2HB CYS 13 3.995 4.176 -4.093 83 H LEU 14 H LEU 14 2.034 4.138 -3.418 84 HA LEU 14 HA LEU 14 0.112 5.083 -1.530 85 1HB LEU 14 2HB LEU 14 0.758 6.778 -3.938 86 HG LEU 14 HG LEU 14 1.832 7.493 -1.812 87 1HD1 LEU 14 1HD1 LEU 14 0.736 9.827 -1.832 88 2HD1 LEU 14 2HD1 LEU 14 1.508 9.246 -3.308 89 3HD1 LEU 14 3HD1 LEU 14 -0.247 9.186 -3.149 90 1HD2 LEU 14 1HD2 LEU 14 0.702 7.404 0.098 91 2HD2 LEU 14 2HD2 LEU 14 -0.444 8.594 -0.522 92 3HD2 LEU 14 3HD2 LEU 14 -0.736 6.873 -0.775 93 H SER 15 H SER 15 0.599 2.705 -2.936 94 HA SER 15 HA SER 15 -1.392 2.522 -5.029 95 1HB SER 15 2HB SER 15 0.141 0.348 -3.577 96 HG SER 15 HG SER 15 1.589 1.628 -4.708 97 H ALA 16 H ALA 16 -3.502 2.246 -4.639 98 HA ALA 16 HA ALA 16 -4.369 1.645 -1.926 99 1HB ALA 16 1HB ALA 16 -6.341 2.653 -2.409 100 2HB ALA 16 2HB ALA 16 -5.338 3.436 -3.632 101 3HB ALA 16 3HB ALA 16 -6.362 2.069 -4.074 102 H PHE 17 H PHE 17 -5.505 -0.154 -1.305 103 HA PHE 17 HA PHE 17 -6.043 -2.209 -3.331 104 1HB PHE 17 2HB PHE 17 -4.610 -2.753 -0.720 105 HD1 PHE 17 1HD PHE 17 -3.785 -4.735 -3.525 106 HD2 PHE 17 2HD PHE 17 -2.853 -1.075 -1.573 107 HE1 PHE 17 1HE PHE 17 -1.611 -4.688 -4.668 108 HE2 PHE 17 2HE PHE 17 -0.678 -1.013 -2.723 109 HZ PHE 17 HZ PHE 17 -0.056 -2.824 -4.273 110 H THR 18 H THR 18 -7.641 -3.712 -2.760 111 HA THR 18 HA THR 18 -9.780 -2.678 -1.238 112 HB THR 18 HB THR 18 -10.762 -4.972 -1.595 113 HG1 THR 18 1HG THR 18 -9.397 -6.121 -3.323 114 1HG2 THR 18 1HG2 THR 18 -9.988 -3.007 -3.623 115 2HG2 THR 18 2HG2 THR 18 -11.554 -3.759 -3.318 116 3HG2 THR 18 3HG2 THR 18 -10.343 -4.602 -4.283 117 H THR 19 H THR 19 -7.346 -5.140 -0.571 118 HA THR 19 HA THR 19 -8.415 -5.403 2.155 119 HB THR 19 HB THR 19 -7.950 -7.805 2.060 120 HG1 THR 19 1HG THR 19 -7.685 -8.144 -0.589 121 1HG2 THR 19 1HG2 THR 19 -9.927 -6.462 0.419 122 2HG2 THR 19 2HG2 THR 19 -10.094 -7.895 1.435 123 3HG2 THR 19 3HG2 THR 19 -9.519 -8.054 -0.224 124 H LYS 20 H LYS 20 -6.994 -6.009 3.770 125 HA LYS 20 HA LYS 20 -4.387 -4.976 3.778 126 1HB LYS 20 2HB LYS 20 -5.434 -7.282 5.439 127 1HG LYS 20 2HG LYS 20 -6.900 -5.343 5.662 128 1HD LYS 20 2HD LYS 20 -4.412 -3.952 6.652 129 1HE LYS 20 2HE LYS 20 -7.277 -3.010 6.562 130 1HZ LYS 20 1HZ LYS 20 -5.086 -1.593 7.918 131 2HZ LYS 20 2HZ LYS 20 -6.565 -0.993 7.353 132 3HZ LYS 20 3HZ LYS 20 -5.322 -1.359 6.255 133 H ALA 21 H ALA 21 -5.741 -8.073 2.994 134 HA ALA 21 HA ALA 21 -3.569 -9.725 2.935 135 1HB ALA 21 1HB ALA 21 -5.366 -10.996 2.514 136 2HB ALA 21 2HB ALA 21 -6.237 -9.666 1.743 137 3HB ALA 21 3HB ALA 21 -5.070 -10.617 0.817 138 H ASN 22 H ASN 22 -4.782 -7.650 0.309 139 HA ASN 22 HA ASN 22 -2.745 -8.394 -1.539 140 1HB ASN 22 2HB ASN 22 -4.546 -5.964 -1.514 141 1HD2 ASN 22 1HD2 ASN 22 -6.557 -6.367 -2.083 142 2HD2 ASN 22 2HD2 ASN 22 -7.117 -7.787 -2.889 143 H CYS 23 H CYS 23 -3.157 -5.691 0.696 144 HA CYS 23 HA CYS 23 -0.918 -4.214 -0.118 145 1HB CYS 23 2HB CYS 23 -2.708 -3.271 1.286 146 HG CYS 23 HG CYS 23 0.519 -2.929 2.102 147 H ALA 24 H ALA 24 -1.258 -6.738 2.348 148 HA ALA 24 HA ALA 24 1.259 -6.517 3.524 149 1HB ALA 24 1HB ALA 24 0.852 -8.612 4.505 150 2HB ALA 24 2HB ALA 24 -0.739 -7.881 4.289 151 3HB ALA 24 3HB ALA 24 -0.183 -9.127 3.172 152 H ARG 25 H ARG 25 0.247 -8.621 0.818 153 HA ARG 25 HA ARG 25 2.832 -9.728 0.437 154 1HB ARG 25 2HB ARG 25 1.994 -10.595 -1.682 155 1HG ARG 25 2HG ARG 25 -0.504 -8.992 -1.178 156 1HD ARG 25 2HD ARG 25 0.242 -10.925 -3.366 157 HE ARG 25 HE ARG 25 -1.604 -8.821 -3.494 158 1HH1 ARG 25 2HH1 ARG 25 -1.454 -12.278 -4.100 159 2HH1 ARG 25 1HH1 ARG 25 -2.671 -12.231 -5.342 160 1HH2 ARG 25 2HH2 ARG 25 -3.214 -8.779 -5.093 161 2HH2 ARG 25 1HH2 ARG 25 -3.693 -10.250 -5.890 162 H HIS 26 H HIS 26 1.182 -6.933 -0.873 163 HA HIS 26 HA HIS 26 2.915 -6.200 -2.940 164 1HB HIS 26 2HB HIS 26 0.838 -5.060 -2.729 165 HD1 HIS 26 1HD HIS 26 2.357 -3.717 -4.594 166 HD2 HIS 26 2HD HIS 26 2.409 -2.260 -0.699 167 HE1 HIS 26 1HE HIS 26 3.398 -1.395 -4.698 168 H LEU 27 H LEU 27 2.984 -5.401 0.489 169 HA LEU 27 HA LEU 27 4.719 -3.357 0.526 170 1HB LEU 27 2HB LEU 27 3.449 -4.241 2.451 171 HG LEU 27 HG LEU 27 6.376 -3.906 3.107 172 1HD1 LEU 27 1HD1 LEU 27 4.978 -1.597 3.749 173 2HD1 LEU 27 2HD1 LEU 27 6.079 -1.815 2.390 174 3HD1 LEU 27 3HD1 LEU 27 4.347 -2.063 2.170 175 1HD2 LEU 27 1HD2 LEU 27 4.320 -3.054 5.004 176 2HD2 LEU 27 2HD2 LEU 27 4.400 -4.800 4.751 177 3HD2 LEU 27 3HD2 LEU 27 5.834 -3.917 5.278 178 H LYS 28 H LYS 28 5.689 -6.752 0.369 179 HA LYS 28 HA LYS 28 8.324 -6.523 1.094 180 1HB LYS 28 2HB LYS 28 8.774 -8.576 -0.135 181 1HG LYS 28 2HG LYS 28 6.006 -8.343 -1.282 182 1HD LYS 28 2HD LYS 28 8.182 -10.403 -1.642 183 1HE LYS 28 2HE LYS 28 6.874 -10.035 -3.683 184 1HZ LYS 28 1HZ LYS 28 4.441 -11.157 -2.937 185 2HZ LYS 28 2HZ LYS 28 4.725 -9.609 -3.576 186 3HZ LYS 28 3HZ LYS 28 4.722 -9.846 -1.897 187 H VAL 29 H VAL 29 6.905 -5.641 -1.996 188 HA VAL 29 HA VAL 29 9.137 -5.649 -3.628 189 HB VAL 29 HB VAL 29 8.066 -3.995 -5.026 190 1HG1 VAL 29 1HG1 VAL 29 5.644 -5.033 -4.944 191 2HG1 VAL 29 2HG1 VAL 29 7.042 -5.959 -5.496 192 3HG1 VAL 29 3HG1 VAL 29 6.437 -6.172 -3.854 193 1HG2 VAL 29 1HG2 VAL 29 5.731 -3.543 -3.314 194 2HG2 VAL 29 2HG2 VAL 29 7.218 -2.775 -2.758 195 3HG2 VAL 29 3HG2 VAL 29 6.597 -2.431 -4.374 196 H HIS 30 H HIS 30 8.194 -3.258 -1.245 197 HA HIS 30 HA HIS 30 10.160 -1.329 -2.042 198 1HB HIS 30 2HB HIS 30 8.486 -1.560 0.461 199 HD1 HIS 30 1HD HIS 30 8.718 0.769 -2.585 200 HD2 HIS 30 2HD HIS 30 5.938 -1.162 -0.162 201 HE1 HIS 30 1HE HIS 30 6.419 1.502 -3.379 202 H THR 31 H THR 31 9.763 -3.527 0.681 203 HA THR 31 HA THR 31 12.120 -2.739 1.980 204 HB THR 31 HB THR 31 11.722 -4.666 3.457 205 HG1 THR 31 1HG THR 31 9.410 -5.582 2.715 206 1HG2 THR 31 1HG2 THR 31 9.139 -3.998 3.803 207 2HG2 THR 31 2HG2 THR 31 9.666 -2.659 2.783 208 3HG2 THR 31 3HG2 THR 31 10.481 -2.976 4.316 209 H ASP 32 H ASP 32 11.469 -5.326 -0.309 210 HA ASP 32 HA ASP 32 14.327 -6.015 -0.313 211 1HB ASP 32 2HB ASP 32 13.042 -7.504 1.254 212 H THR 33 H THR 33 15.094 -6.704 -2.279 213 HA THR 33 HA THR 33 13.513 -6.008 -4.550 214 HB THR 33 HB THR 33 16.250 -7.306 -4.438 215 HG1 THR 33 1HG THR 33 15.333 -4.664 -4.212 216 1HG2 THR 33 1HG2 THR 33 16.539 -6.568 -6.708 217 2HG2 THR 33 2HG2 THR 33 14.984 -5.737 -6.688 218 3HG2 THR 33 3HG2 THR 33 15.043 -7.499 -6.626 219 H LEU 34 H LEU 34 12.383 -7.291 -5.861 220 HA LEU 34 HA LEU 34 11.818 -9.917 -4.985 221 1HB LEU 34 2HB LEU 34 10.864 -8.431 -7.431 222 HG LEU 34 HG LEU 34 10.109 -7.283 -5.423 223 1HD1 LEU 34 1HD1 LEU 34 7.955 -7.065 -6.107 224 2HD1 LEU 34 2HD1 LEU 34 8.586 -7.968 -7.483 225 3HD1 LEU 34 3HD1 LEU 34 7.694 -8.807 -6.212 226 1HD2 LEU 34 1HD2 LEU 34 8.678 -8.467 -3.797 227 2HD2 LEU 34 2HD2 LEU 34 9.068 -9.987 -4.603 228 3HD2 LEU 34 3HD2 LEU 34 10.339 -9.059 -3.808 229 H SER 35 H SER 35 12.197 -11.801 -5.905 230 HA SER 35 HA SER 35 13.385 -12.144 -8.474 231 1HB SER 35 2HB SER 35 15.405 -11.533 -7.185 232 HG SER 35 HG SER 35 15.054 -14.164 -8.103 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -12.891 -1.601 7.666 2 2H GLY 1 2H GLY 1 -14.571 -1.800 7.523 3 3H GLY 1 3H GLY 1 -13.582 -1.908 6.150 4 1HA GLY 1 2HA GLY 1 -13.383 -3.764 8.449 5 2HA GLY 1 1HA GLY 1 -14.368 -4.090 7.030 6 H SER 2 H SER 2 -11.736 -5.169 8.301 7 HA SER 2 HA SER 2 -9.697 -4.766 6.386 8 1HB SER 2 2HB SER 2 -10.128 -7.032 8.344 9 HG SER 2 HG SER 2 -9.679 -5.426 9.651 10 H SER 3 H SER 3 -9.223 -5.770 4.526 11 HA SER 3 HA SER 3 -9.454 -6.978 2.640 12 1HB SER 3 2HB SER 3 -10.640 -9.014 4.531 13 HG SER 3 HG SER 3 -8.467 -8.667 4.921 14 H GLY 4 H GLY 4 -11.144 -5.044 2.704 15 1HA GLY 4 1HA GLY 4 -13.201 -5.766 0.952 16 2HA GLY 4 2HA GLY 4 -13.907 -5.624 2.560 17 H LYS 5 H LYS 5 -13.941 -3.963 -0.073 18 HA LYS 5 HA LYS 5 -14.224 -1.766 -0.627 19 1HB LYS 5 2HB LYS 5 -15.390 -1.469 1.505 20 1HG LYS 5 2HG LYS 5 -14.951 0.853 2.034 21 1HD LYS 5 2HD LYS 5 -15.159 1.837 -0.207 22 1HE LYS 5 2HE LYS 5 -17.102 0.524 -0.992 23 1HZ LYS 5 1HZ LYS 5 -18.427 0.790 0.962 24 2HZ LYS 5 2HZ LYS 5 -17.330 2.081 0.874 25 3HZ LYS 5 3HZ LYS 5 -17.056 0.811 1.964 26 H ARG 6 H ARG 6 -12.813 -0.064 -1.332 27 HA ARG 6 HA ARG 6 -10.014 -0.759 -0.817 28 1HB ARG 6 2HB ARG 6 -10.935 -0.883 -3.128 29 1HG ARG 6 2HG ARG 6 -8.719 1.130 -2.792 30 1HD ARG 6 2HD ARG 6 -9.476 -0.594 -5.149 31 HE ARG 6 HE ARG 6 -6.963 0.385 -4.520 32 1HH1 ARG 6 2HH1 ARG 6 -9.226 0.690 -7.167 33 2HH1 ARG 6 1HH1 ARG 6 -7.990 0.874 -8.373 34 1HH2 ARG 6 2HH2 ARG 6 -5.337 0.656 -6.090 35 2HH2 ARG 6 1HH2 ARG 6 -5.772 0.867 -7.760 36 HA PRO 7 HA PRO 7 -10.040 3.662 0.770 37 1HB PRO 7 2HB PRO 7 -10.071 3.072 3.504 38 1HG PRO 7 2HG PRO 7 -11.314 1.204 3.795 39 1HD PRO 7 2HD PRO 7 -10.095 0.075 2.197 40 H PHE 8 H PHE 8 -8.547 0.693 1.397 41 HA PHE 8 HA PHE 8 -6.387 1.535 3.037 42 1HB PHE 8 2HB PHE 8 -6.577 -0.912 1.265 43 HD1 PHE 8 1HD PHE 8 -8.453 0.649 3.756 44 HD2 PHE 8 2HD PHE 8 -6.667 -3.085 2.765 45 HE1 PHE 8 1HE PHE 8 -10.094 -0.509 5.173 46 HE2 PHE 8 2HE PHE 8 -8.298 -4.251 4.181 47 HZ PHE 8 HZ PHE 8 -10.020 -2.957 5.389 48 H VAL 9 H VAL 9 -4.415 2.269 2.449 49 HA VAL 9 HA VAL 9 -3.599 2.091 -0.343 50 HB VAL 9 HB VAL 9 -4.742 4.286 0.183 51 1HG1 VAL 9 1HG1 VAL 9 -3.942 5.790 1.664 52 2HG1 VAL 9 2HG1 VAL 9 -3.374 4.318 2.453 53 3HG1 VAL 9 3HG1 VAL 9 -2.268 5.265 1.456 54 1HG2 VAL 9 1HG2 VAL 9 -3.169 5.605 -1.103 55 2HG2 VAL 9 2HG2 VAL 9 -1.869 4.480 -0.711 56 3HG2 VAL 9 3HG2 VAL 9 -3.211 3.958 -1.731 57 H CYS 10 H CYS 10 -1.410 1.876 -0.596 58 HA CYS 10 HA CYS 10 0.038 0.791 1.498 59 1HB CYS 10 2HB CYS 10 0.559 0.354 -0.832 60 H ARG 11 H ARG 11 1.362 1.548 2.971 61 HA ARG 11 HA ARG 11 1.286 4.270 3.704 62 1HB ARG 11 2HB ARG 11 3.217 2.155 4.673 63 1HG ARG 11 2HG ARG 11 0.467 2.805 5.703 64 1HD ARG 11 2HD ARG 11 2.579 0.914 6.732 65 HE ARG 11 HE ARG 11 -0.184 0.744 7.102 66 1HH1 ARG 11 2HH1 ARG 11 2.748 0.868 9.020 67 2HH1 ARG 11 1HH1 ARG 11 2.059 -0.016 10.346 68 1HH2 ARG 11 2HH2 ARG 11 -1.071 -0.471 8.805 69 2HH2 ARG 11 1HH2 ARG 11 -0.119 -0.779 10.226 70 H ILE 12 H ILE 12 3.702 2.221 2.164 71 HA ILE 12 HA ILE 12 5.724 4.202 2.336 72 HB ILE 12 HB ILE 12 5.716 1.694 0.659 73 1HG1 ILE 12 2HG1 ILE 12 5.355 1.177 3.025 74 1HG2 ILE 12 1HG2 ILE 12 7.399 3.426 0.044 75 2HG2 ILE 12 2HG2 ILE 12 8.056 3.298 1.674 76 3HG2 ILE 12 3HG2 ILE 12 8.101 1.904 0.593 77 1HD1 ILE 12 1HD1 ILE 12 7.970 2.463 3.699 78 2HD1 ILE 12 2HD1 ILE 12 6.433 3.305 3.894 79 3HD1 ILE 12 3HD1 ILE 12 6.740 1.814 4.783 80 H CYS 13 H CYS 13 3.978 2.808 -0.473 81 HA CYS 13 HA CYS 13 4.777 5.191 -1.960 82 1HB CYS 13 2HB CYS 13 4.074 4.095 -4.012 83 H LEU 14 H LEU 14 2.057 4.068 -3.377 84 HA LEU 14 HA LEU 14 0.061 5.143 -1.632 85 1HB LEU 14 2HB LEU 14 0.831 6.681 -4.109 86 HG LEU 14 HG LEU 14 1.815 7.525 -1.986 87 1HD1 LEU 14 1HD1 LEU 14 1.639 9.262 -3.453 88 2HD1 LEU 14 2HD1 LEU 14 -0.102 9.067 -3.646 89 3HD1 LEU 14 3HD1 LEU 14 0.543 9.841 -2.199 90 1HD2 LEU 14 1HD2 LEU 14 -0.648 8.628 -0.946 91 2HD2 LEU 14 2HD2 LEU 14 -0.674 6.863 -0.938 92 3HD2 LEU 14 3HD2 LEU 14 0.624 7.730 -0.116 93 H SER 15 H SER 15 0.604 2.681 -2.942 94 HA SER 15 HA SER 15 -1.364 2.439 -5.061 95 1HB SER 15 2HB SER 15 0.199 0.303 -3.580 96 HG SER 15 HG SER 15 1.642 1.563 -4.720 97 H ALA 16 H ALA 16 -3.476 2.156 -4.659 98 HA ALA 16 HA ALA 16 -4.334 1.598 -1.933 99 1HB ALA 16 1HB ALA 16 -5.339 3.351 -3.620 100 2HB ALA 16 2HB ALA 16 -6.293 1.965 -4.149 101 3HB ALA 16 3HB ALA 16 -6.370 2.500 -2.469 102 H PHE 17 H PHE 17 -5.421 -0.216 -1.262 103 HA PHE 17 HA PHE 17 -6.014 -2.294 -3.252 104 1HB PHE 17 2HB PHE 17 -4.512 -2.821 -0.675 105 HD1 PHE 17 1HD PHE 17 -3.686 -4.884 -3.393 106 HD2 PHE 17 2HD PHE 17 -2.816 -1.108 -1.645 107 HE1 PHE 17 1HE PHE 17 -1.521 -4.851 -4.553 108 HE2 PHE 17 2HE PHE 17 -0.658 -1.062 -2.815 109 HZ PHE 17 HZ PHE 17 -0.007 -2.931 -4.274 110 H THR 18 H THR 18 -7.812 -3.507 -2.782 111 HA THR 18 HA THR 18 -9.711 -2.485 -0.978 112 HB THR 18 HB THR 18 -10.927 -4.673 -1.455 113 HG1 THR 18 1HG THR 18 -9.359 -5.214 -3.625 114 1HG2 THR 18 1HG2 THR 18 -10.659 -3.923 -4.126 115 2HG2 THR 18 2HG2 THR 18 -10.309 -2.457 -3.211 116 3HG2 THR 18 3HG2 THR 18 -11.835 -3.306 -2.968 117 H THR 19 H THR 19 -7.588 -5.319 -0.745 118 HA THR 19 HA THR 19 -8.503 -5.646 2.025 119 HB THR 19 HB THR 19 -7.765 -7.933 1.938 120 HG1 THR 19 1HG THR 19 -6.942 -8.657 -0.251 121 1HG2 THR 19 1HG2 THR 19 -9.651 -8.513 0.904 122 2HG2 THR 19 2HG2 THR 19 -8.916 -8.192 -0.666 123 3HG2 THR 19 3HG2 THR 19 -9.744 -6.898 0.201 124 H LYS 20 H LYS 20 -7.047 -5.849 3.689 125 HA LYS 20 HA LYS 20 -4.506 -4.588 3.575 126 1HB LYS 20 2HB LYS 20 -5.670 -6.578 5.527 127 1HG LYS 20 2HG LYS 20 -5.132 -3.659 5.781 128 1HD LYS 20 2HD LYS 20 -6.364 -5.615 7.710 129 1HE LYS 20 2HE LYS 20 -5.836 -2.663 7.998 130 1HZ LYS 20 1HZ LYS 20 -5.993 -4.672 9.930 131 2HZ LYS 20 2HZ LYS 20 -7.421 -3.765 10.036 132 3HZ LYS 20 3HZ LYS 20 -5.916 -2.993 10.170 133 H ALA 21 H ALA 21 -5.753 -7.743 3.131 134 HA ALA 21 HA ALA 21 -3.521 -9.282 3.344 135 1HB ALA 21 1HB ALA 21 -5.079 -10.469 1.346 136 2HB ALA 21 2HB ALA 21 -5.179 -10.752 3.084 137 3HB ALA 21 3HB ALA 21 -6.209 -9.530 2.331 138 H ASN 22 H ASN 22 -4.775 -7.595 0.461 139 HA ASN 22 HA ASN 22 -2.765 -8.574 -1.310 140 1HB ASN 22 2HB ASN 22 -4.402 -6.038 -1.532 141 1HD2 ASN 22 1HD2 ASN 22 -6.395 -6.254 -2.211 142 2HD2 ASN 22 2HD2 ASN 22 -7.125 -7.705 -2.802 143 H CYS 23 H CYS 23 -3.044 -5.712 0.717 144 HA CYS 23 HA CYS 23 -0.773 -4.351 -0.191 145 1HB CYS 23 2HB CYS 23 -2.505 -3.312 1.221 146 HG CYS 23 HG CYS 23 -0.188 -1.818 1.103 147 H ALA 24 H ALA 24 -1.153 -6.835 2.286 148 HA ALA 24 HA ALA 24 1.372 -6.701 3.454 149 1HB ALA 24 1HB ALA 24 0.629 -9.412 3.429 150 2HB ALA 24 2HB ALA 24 0.383 -8.230 4.715 151 3HB ALA 24 3HB ALA 24 -0.868 -8.480 3.496 152 H ARG 25 H ARG 25 0.308 -8.732 0.716 153 HA ARG 25 HA ARG 25 2.888 -9.860 0.303 154 1HB ARG 25 2HB ARG 25 1.986 -10.790 -1.749 155 1HG ARG 25 2HG ARG 25 -0.406 -9.036 -1.267 156 1HD ARG 25 2HD ARG 25 0.031 -11.289 -3.215 157 HE ARG 25 HE ARG 25 -1.537 -9.062 -3.647 158 1HH1 ARG 25 2HH1 ARG 25 -2.123 -12.497 -3.277 159 2HH1 ARG 25 1HH1 ARG 25 -3.399 -12.534 -4.464 160 1HH2 ARG 25 2HH2 ARG 25 -3.220 -9.113 -5.194 161 2HH2 ARG 25 1HH2 ARG 25 -4.014 -10.618 -5.551 162 H HIS 26 H HIS 26 1.268 -7.017 -0.831 163 HA HIS 26 HA HIS 26 2.911 -6.281 -2.992 164 1HB HIS 26 2HB HIS 26 0.861 -5.112 -2.695 165 HD1 HIS 26 1HD HIS 26 2.454 -3.746 -4.536 166 HD2 HIS 26 2HD HIS 26 2.373 -2.358 -0.613 167 HE1 HIS 26 1HE HIS 26 3.444 -1.397 -4.567 168 H LEU 27 H LEU 27 3.145 -5.662 0.466 169 HA LEU 27 HA LEU 27 4.929 -3.666 0.602 170 1HB LEU 27 2HB LEU 27 3.778 -4.699 2.511 171 HG LEU 27 HG LEU 27 6.758 -4.503 2.950 172 1HD1 LEU 27 1HD1 LEU 27 6.084 -2.422 2.150 173 2HD1 LEU 27 2HD1 LEU 27 4.531 -2.500 2.983 174 3HD1 LEU 27 3HD1 LEU 27 6.015 -2.244 3.903 175 1HD2 LEU 27 1HD2 LEU 27 5.511 -5.741 4.723 176 2HD2 LEU 27 2HD2 LEU 27 6.278 -4.254 5.278 177 3HD2 LEU 27 3HD2 LEU 27 4.540 -4.289 4.977 178 H LYS 28 H LYS 28 5.791 -7.011 -0.033 179 HA LYS 28 HA LYS 28 8.449 -7.063 0.580 180 1HB LYS 28 2HB LYS 28 8.719 -8.848 -1.059 181 1HG LYS 28 2HG LYS 28 5.967 -8.141 -2.053 182 1HD LYS 28 2HD LYS 28 7.890 -10.326 -2.845 183 1HE LYS 28 2HE LYS 28 6.681 -9.423 -4.769 184 1HZ LYS 28 1HZ LYS 28 4.105 -10.365 -3.850 185 2HZ LYS 28 2HZ LYS 28 4.492 -9.014 -4.800 186 3HZ LYS 28 3HZ LYS 28 4.638 -8.935 -3.110 187 H VAL 29 H VAL 29 7.021 -5.495 -2.231 188 HA VAL 29 HA VAL 29 9.344 -5.291 -3.782 189 HB VAL 29 HB VAL 29 8.278 -3.449 -4.977 190 1HG1 VAL 29 1HG1 VAL 29 7.547 -5.506 -5.752 191 2HG1 VAL 29 2HG1 VAL 29 6.625 -5.846 -4.288 192 3HG1 VAL 29 3HG1 VAL 29 6.043 -4.641 -5.438 193 1HG2 VAL 29 1HG2 VAL 29 7.120 -2.017 -3.678 194 2HG2 VAL 29 2HG2 VAL 29 5.771 -3.094 -4.034 195 3HG2 VAL 29 3HG2 VAL 29 6.665 -3.269 -2.522 196 H HIS 30 H HIS 30 8.138 -3.230 -1.183 197 HA HIS 30 HA HIS 30 10.201 -1.257 -1.533 198 1HB HIS 30 2HB HIS 30 8.315 -1.668 0.794 199 HD1 HIS 30 1HD HIS 30 8.688 0.892 -2.067 200 HD2 HIS 30 2HD HIS 30 5.817 -1.258 0.047 201 HE1 HIS 30 1HE HIS 30 6.430 1.594 -2.989 202 H THR 31 H THR 31 11.433 -3.714 -1.309 203 HA THR 31 HA THR 31 13.334 -3.188 0.668 204 HB THR 31 HB THR 31 11.740 -3.952 2.315 205 HG1 THR 31 1HG THR 31 13.695 -5.986 1.855 206 1HG2 THR 31 1HG2 THR 31 10.624 -6.010 2.313 207 2HG2 THR 31 2HG2 THR 31 11.661 -6.670 1.047 208 3HG2 THR 31 3HG2 THR 31 10.470 -5.429 0.653 209 H ASP 32 H ASP 32 11.858 -5.887 -1.176 210 HA ASP 32 HA ASP 32 14.450 -7.122 -1.544 211 1HB ASP 32 2HB ASP 32 11.785 -7.735 -2.840 212 H THR 33 H THR 33 12.047 -5.716 -3.744 213 HA THR 33 HA THR 33 14.017 -4.321 -5.266 214 HB THR 33 HB THR 33 14.381 -6.533 -6.238 215 HG1 THR 33 1HG THR 33 12.827 -5.049 -8.112 216 1HG2 THR 33 1HG2 THR 33 12.019 -7.343 -5.682 217 2HG2 THR 33 2HG2 THR 33 12.713 -7.870 -7.215 218 3HG2 THR 33 3HG2 THR 33 11.528 -6.564 -7.186 219 H LEU 34 H LEU 34 13.067 -2.635 -6.311 220 HA LEU 34 HA LEU 34 10.140 -2.623 -6.455 221 1HB LEU 34 2HB LEU 34 10.031 -0.423 -5.500 222 HG LEU 34 HG LEU 34 12.228 0.522 -6.196 223 1HD1 LEU 34 1HD1 LEU 34 12.503 1.052 -3.405 224 2HD1 LEU 34 2HD1 LEU 34 11.809 2.070 -4.667 225 3HD1 LEU 34 3HD1 LEU 34 10.790 0.916 -3.805 226 1HD2 LEU 34 1HD2 LEU 34 13.223 -1.662 -4.574 227 2HD2 LEU 34 2HD2 LEU 34 14.074 -0.640 -5.733 228 3HD2 LEU 34 3HD2 LEU 34 13.883 -0.109 -4.062 229 H SER 35 H SER 35 9.237 -1.385 -8.020 230 HA SER 35 HA SER 35 10.772 0.310 -9.743 231 1HB SER 35 2HB SER 35 10.298 -1.073 -11.796 232 HG SER 35 HG SER 35 8.748 -2.431 -10.403 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -10.055 -15.730 -1.108 2 2H GLY 1 2H GLY 1 -9.979 -16.237 0.508 3 3H GLY 1 3H GLY 1 -8.594 -15.627 -0.255 4 1HA GLY 1 2HA GLY 1 -10.290 -14.197 1.302 5 2HA GLY 1 1HA GLY 1 -9.123 -13.525 0.170 6 H SER 2 H SER 2 -11.993 -12.844 1.080 7 HA SER 2 HA SER 2 -13.599 -13.084 -1.247 8 1HB SER 2 2HB SER 2 -15.062 -11.406 -0.049 9 HG SER 2 HG SER 2 -14.225 -11.398 2.318 10 H SER 3 H SER 3 -11.748 -10.401 0.151 11 HA SER 3 HA SER 3 -10.856 -8.511 -0.719 12 1HB SER 3 2HB SER 3 -9.901 -9.992 -2.438 13 HG SER 3 HG SER 3 -10.388 -8.185 -4.246 14 H GLY 4 H GLY 4 -11.732 -6.531 -0.840 15 1HA GLY 4 1HA GLY 4 -13.847 -5.789 -2.589 16 2HA GLY 4 2HA GLY 4 -14.510 -6.219 -1.017 17 H LYS 5 H LYS 5 -14.379 -3.617 -2.469 18 HA LYS 5 HA LYS 5 -14.195 -1.419 -1.947 19 1HB LYS 5 2HB LYS 5 -15.106 -2.192 0.203 20 1HG LYS 5 2HG LYS 5 -12.957 -0.197 0.820 21 1HD LYS 5 2HD LYS 5 -15.689 -0.733 1.955 22 1HE LYS 5 2HE LYS 5 -13.601 1.278 2.786 23 1HZ LYS 5 1HZ LYS 5 -14.647 0.782 4.740 24 2HZ LYS 5 2HZ LYS 5 -16.106 0.349 3.994 25 3HZ LYS 5 3HZ LYS 5 -15.689 1.986 4.151 26 H ARG 6 H ARG 6 -12.447 0.263 -1.097 27 HA ARG 6 HA ARG 6 -9.742 -0.830 -1.353 28 1HB ARG 6 2HB ARG 6 -10.921 1.228 -3.198 29 1HG ARG 6 2HG ARG 6 -9.243 -1.216 -3.718 30 1HD ARG 6 2HD ARG 6 -10.508 0.695 -5.677 31 HE ARG 6 HE ARG 6 -8.475 -0.944 -6.731 32 1HH1 ARG 6 2HH1 ARG 6 -11.838 -1.065 -5.773 33 2HH1 ARG 6 1HH1 ARG 6 -12.207 -2.441 -6.775 34 1HH2 ARG 6 2HH2 ARG 6 -8.933 -2.746 -8.036 35 2HH2 ARG 6 1HH2 ARG 6 -10.540 -3.411 -8.042 36 HA PRO 7 HA PRO 7 -10.127 2.667 1.712 37 1HB PRO 7 2HB PRO 7 -9.499 0.791 3.802 38 1HG PRO 7 2HG PRO 7 -10.901 -0.963 3.378 39 1HD PRO 7 2HD PRO 7 -9.578 -1.176 1.486 40 H PHE 8 H PHE 8 -8.001 -0.135 1.825 41 HA PHE 8 HA PHE 8 -5.974 1.177 3.283 42 1HB PHE 8 2HB PHE 8 -5.595 -1.348 1.686 43 HD1 PHE 8 1HD PHE 8 -7.404 -2.737 1.709 44 HD2 PHE 8 2HD PHE 8 -6.429 -0.558 5.222 45 HE1 PHE 8 1HE PHE 8 -9.203 -3.894 2.899 46 HE2 PHE 8 2HE PHE 8 -8.234 -1.721 6.441 47 HZ PHE 8 HZ PHE 8 -9.638 -3.379 5.265 48 H VAL 9 H VAL 9 -4.354 2.418 2.578 49 HA VAL 9 HA VAL 9 -3.523 2.159 -0.226 50 HB VAL 9 HB VAL 9 -4.651 4.345 0.387 51 1HG1 VAL 9 1HG1 VAL 9 -3.496 5.983 1.651 52 2HG1 VAL 9 2HG1 VAL 9 -3.575 4.516 2.628 53 3HG1 VAL 9 3HG1 VAL 9 -2.076 4.946 1.801 54 1HG2 VAL 9 1HG2 VAL 9 -2.745 3.833 -1.409 55 2HG2 VAL 9 2HG2 VAL 9 -3.462 5.431 -1.202 56 3HG2 VAL 9 3HG2 VAL 9 -1.912 5.057 -0.452 57 H CYS 10 H CYS 10 -1.328 1.981 -0.577 58 HA CYS 10 HA CYS 10 0.201 0.871 1.463 59 1HB CYS 10 2HB CYS 10 0.616 0.415 -0.877 60 H ARG 11 H ARG 11 1.626 1.628 2.865 61 HA ARG 11 HA ARG 11 1.628 4.400 3.474 62 1HB ARG 11 2HB ARG 11 3.123 3.802 5.317 63 1HG ARG 11 2HG ARG 11 3.051 0.998 4.221 64 1HD ARG 11 2HD ARG 11 4.257 2.153 6.731 65 HE ARG 11 HE ARG 11 5.031 -0.179 5.397 66 1HH1 ARG 11 2HH1 ARG 11 4.073 0.915 8.577 67 2HH1 ARG 11 1HH1 ARG 11 4.927 -0.350 9.414 68 1HH2 ARG 11 2HH2 ARG 11 6.182 -1.827 6.482 69 2HH2 ARG 11 1HH2 ARG 11 6.137 -1.910 8.221 70 H ILE 12 H ILE 12 3.922 2.218 1.917 71 HA ILE 12 HA ILE 12 6.051 4.133 2.015 72 HB ILE 12 HB ILE 12 5.886 1.623 0.351 73 1HG1 ILE 12 2HG1 ILE 12 5.656 1.111 2.739 74 1HG2 ILE 12 1HG2 ILE 12 8.121 1.871 -0.134 75 2HG2 ILE 12 2HG2 ILE 12 7.599 3.556 -0.122 76 3HG2 ILE 12 3HG2 ILE 12 8.429 2.879 1.281 77 1HD1 ILE 12 1HD1 ILE 12 8.153 2.747 3.059 78 2HD1 ILE 12 2HD1 ILE 12 6.596 2.974 3.858 79 3HD1 ILE 12 3HD1 ILE 12 7.593 1.573 4.251 80 H CYS 13 H CYS 13 4.070 2.815 -0.657 81 HA CYS 13 HA CYS 13 4.813 5.212 -2.156 82 1HB CYS 13 2HB CYS 13 3.972 4.175 -4.185 83 H LEU 14 H LEU 14 2.008 4.163 -3.439 84 HA LEU 14 HA LEU 14 0.130 5.078 -1.508 85 1HB LEU 14 2HB LEU 14 0.745 6.861 -3.859 86 HG LEU 14 HG LEU 14 1.817 7.516 -1.726 87 1HD1 LEU 14 1HD1 LEU 14 0.452 9.089 -3.507 88 2HD1 LEU 14 2HD1 LEU 14 -0.196 9.612 -1.952 89 3HD1 LEU 14 3HD1 LEU 14 1.543 9.671 -2.250 90 1HD2 LEU 14 1HD2 LEU 14 -0.803 8.265 -0.564 91 2HD2 LEU 14 2HD2 LEU 14 -0.346 6.564 -0.483 92 3HD2 LEU 14 3HD2 LEU 14 0.698 7.792 0.231 93 H SER 15 H SER 15 0.585 2.752 -3.006 94 HA SER 15 HA SER 15 -1.516 2.646 -5.013 95 1HB SER 15 2HB SER 15 0.146 0.428 -3.789 96 HG SER 15 HG SER 15 1.547 1.668 -4.923 97 H ALA 16 H ALA 16 -3.595 2.307 -4.491 98 HA ALA 16 HA ALA 16 -4.264 1.503 -1.774 99 1HB ALA 16 1HB ALA 16 -5.445 3.371 -3.106 100 2HB ALA 16 2HB ALA 16 -6.300 2.051 -3.905 101 3HB ALA 16 3HB ALA 16 -6.431 2.254 -2.157 102 H PHE 17 H PHE 17 -5.092 -0.435 -1.199 103 HA PHE 17 HA PHE 17 -5.702 -2.328 -3.361 104 1HB PHE 17 2HB PHE 17 -4.258 -3.022 -0.796 105 HD1 PHE 17 1HD PHE 17 -2.625 -1.185 -1.730 106 HD2 PHE 17 2HD PHE 17 -3.421 -4.916 -3.617 107 HE1 PHE 17 1HE PHE 17 -0.533 -0.987 -3.010 108 HE2 PHE 17 2HE PHE 17 -1.328 -4.727 -4.892 109 HZ PHE 17 HZ PHE 17 0.115 -2.756 -4.590 110 H THR 18 H THR 18 -7.300 -3.816 -2.978 111 HA THR 18 HA THR 18 -9.528 -2.860 -1.654 112 HB THR 18 HB THR 18 -10.515 -5.108 -2.044 113 HG1 THR 18 1HG THR 18 -9.264 -6.738 -2.869 114 1HG2 THR 18 1HG2 THR 18 -9.118 -3.556 -4.162 115 2HG2 THR 18 2HG2 THR 18 -10.842 -3.841 -3.921 116 3HG2 THR 18 3HG2 THR 18 -9.824 -5.109 -4.609 117 H THR 19 H THR 19 -7.095 -5.135 -0.572 118 HA THR 19 HA THR 19 -8.258 -5.122 2.117 119 HB THR 19 HB THR 19 -7.890 -7.568 2.274 120 HG1 THR 19 1HG THR 19 -7.713 -8.617 0.101 121 1HG2 THR 19 1HG2 THR 19 -9.788 -8.276 0.839 122 2HG2 THR 19 2HG2 THR 19 -9.752 -6.690 0.068 123 3HG2 THR 19 3HG2 THR 19 -10.134 -6.827 1.786 124 H LYS 20 H LYS 20 -6.839 -5.758 3.771 125 HA LYS 20 HA LYS 20 -4.145 -4.961 3.616 126 1HB LYS 20 2HB LYS 20 -5.634 -6.739 5.532 127 1HG LYS 20 2HG LYS 20 -4.297 -4.093 5.862 128 1HD LYS 20 2HD LYS 20 -6.087 -5.622 7.742 129 1HE LYS 20 2HE LYS 20 -6.312 -3.187 7.934 130 1HZ LYS 20 1HZ LYS 20 -3.730 -2.674 9.022 131 2HZ LYS 20 2HZ LYS 20 -4.586 -1.817 7.835 132 3HZ LYS 20 3HZ LYS 20 -3.617 -3.135 7.393 133 H ALA 21 H ALA 21 -5.778 -7.968 3.025 134 HA ALA 21 HA ALA 21 -3.654 -9.710 3.025 135 1HB ALA 21 1HB ALA 21 -5.089 -10.903 1.191 136 2HB ALA 21 2HB ALA 21 -5.732 -10.729 2.823 137 3HB ALA 21 3HB ALA 21 -6.262 -9.629 1.545 138 H ASN 22 H ASN 22 -4.856 -7.625 0.424 139 HA ASN 22 HA ASN 22 -2.860 -8.425 -1.482 140 1HB ASN 22 2HB ASN 22 -4.715 -6.049 -1.384 141 1HD2 ASN 22 1HD2 ASN 22 -6.680 -6.685 -1.846 142 2HD2 ASN 22 2HD2 ASN 22 -7.101 -8.002 -2.868 143 H CYS 23 H CYS 23 -3.218 -5.740 0.780 144 HA CYS 23 HA CYS 23 -0.986 -4.262 -0.021 145 1HB CYS 23 2HB CYS 23 -2.720 -3.363 1.460 146 HG CYS 23 HG CYS 23 -0.865 -1.556 1.781 147 H ALA 24 H ALA 24 -1.266 -6.943 2.269 148 HA ALA 24 HA ALA 24 1.277 -6.804 3.407 149 1HB ALA 24 1HB ALA 24 0.752 -8.751 4.435 150 2HB ALA 24 2HB ALA 24 -0.859 -8.343 3.842 151 3HB ALA 24 3HB ALA 24 0.141 -9.496 2.958 152 H ARG 25 H ARG 25 0.214 -8.730 0.588 153 HA ARG 25 HA ARG 25 2.799 -9.775 0.081 154 1HB ARG 25 2HB ARG 25 1.936 -10.479 -2.102 155 1HG ARG 25 2HG ARG 25 -0.637 -9.105 -1.373 156 1HD ARG 25 2HD ARG 25 0.211 -10.682 -3.799 157 HE ARG 25 HE ARG 25 -1.945 -8.876 -3.538 158 1HH1 ARG 25 2HH1 ARG 25 -1.147 -12.064 -4.747 159 2HH1 ARG 25 1HH1 ARG 25 -2.467 -12.113 -5.874 160 1HH2 ARG 25 2HH2 ARG 25 -3.720 -8.959 -5.030 161 2HH2 ARG 25 1HH2 ARG 25 -3.920 -10.366 -6.035 162 H HIS 26 H HIS 26 1.110 -6.913 -1.010 163 HA HIS 26 HA HIS 26 2.926 -6.079 -3.007 164 1HB HIS 26 2HB HIS 26 0.784 -5.015 -2.894 165 HD1 HIS 26 1HD HIS 26 2.343 -3.627 -4.688 166 HD2 HIS 26 2HD HIS 26 2.296 -2.225 -0.764 167 HE1 HIS 26 1HE HIS 26 3.412 -1.317 -4.713 168 H LEU 27 H LEU 27 2.656 -5.325 0.425 169 HA LEU 27 HA LEU 27 4.307 -3.243 0.640 170 1HB LEU 27 2HB LEU 27 2.940 -4.214 2.462 171 HG LEU 27 HG LEU 27 5.800 -3.718 3.299 172 1HD1 LEU 27 1HD1 LEU 27 5.295 -1.455 3.439 173 2HD1 LEU 27 2HD1 LEU 27 4.517 -1.944 1.934 174 3HD1 LEU 27 3HD1 LEU 27 3.555 -1.735 3.397 175 1HD2 LEU 27 1HD2 LEU 27 3.419 -4.432 4.774 176 2HD2 LEU 27 2HD2 LEU 27 5.088 -4.288 5.326 177 3HD2 LEU 27 3HD2 LEU 27 4.048 -2.864 5.277 178 H LYS 28 H LYS 28 5.391 -6.593 0.577 179 HA LYS 28 HA LYS 28 8.010 -6.189 1.396 180 1HB LYS 28 2HB LYS 28 8.560 -8.324 0.397 181 1HG LYS 28 2HG LYS 28 5.857 -8.290 -0.915 182 1HD LYS 28 2HD LYS 28 8.126 -10.274 -0.961 183 1HE LYS 28 2HE LYS 28 5.445 -10.374 -2.331 184 1HZ LYS 28 1HZ LYS 28 6.453 -12.364 -3.380 185 2HZ LYS 28 2HZ LYS 28 6.134 -12.552 -1.725 186 3HZ LYS 28 3HZ LYS 28 7.721 -12.277 -2.258 187 H VAL 29 H VAL 29 6.586 -5.606 -1.769 188 HA VAL 29 HA VAL 29 8.783 -5.757 -3.409 189 HB VAL 29 HB VAL 29 7.769 -4.207 -4.942 190 1HG1 VAL 29 1HG1 VAL 29 5.265 -5.080 -4.666 191 2HG1 VAL 29 2HG1 VAL 29 6.582 -6.092 -5.261 192 3HG1 VAL 29 3HG1 VAL 29 6.084 -6.198 -3.573 193 1HG2 VAL 29 1HG2 VAL 29 5.423 -3.302 -3.745 194 2HG2 VAL 29 2HG2 VAL 29 6.693 -3.002 -2.557 195 3HG2 VAL 29 3HG2 VAL 29 6.835 -2.342 -4.188 196 H HIS 30 H HIS 30 8.026 -3.240 -1.113 197 HA HIS 30 HA HIS 30 9.990 -1.397 -2.100 198 1HB HIS 30 2HB HIS 30 8.432 -1.470 0.487 199 HD1 HIS 30 1HD HIS 30 8.639 0.798 -2.609 200 HD2 HIS 30 2HD HIS 30 5.862 -1.109 -0.154 201 HE1 HIS 30 1HE HIS 30 6.340 1.495 -3.420 202 H THR 31 H THR 31 11.079 -3.947 -1.575 203 HA THR 31 HA THR 31 13.491 -3.289 -0.477 204 HB THR 31 HB THR 31 12.488 -3.142 1.734 205 HG1 THR 31 1HG THR 31 14.308 -5.173 1.133 206 1HG2 THR 31 1HG2 THR 31 11.492 -5.104 2.844 207 2HG2 THR 31 2HG2 THR 31 11.594 -5.999 1.328 208 3HG2 THR 31 3HG2 THR 31 10.546 -4.586 1.448 209 H ASP 32 H ASP 32 11.148 -5.919 -0.706 210 HA ASP 32 HA ASP 32 13.180 -7.808 -1.589 211 1HB ASP 32 2HB ASP 32 11.277 -8.483 -0.087 212 H THR 33 H THR 33 13.697 -7.945 -3.673 213 HA THR 33 HA THR 33 12.370 -6.306 -5.586 214 HB THR 33 HB THR 33 14.063 -7.226 -7.185 215 HG1 THR 33 1HG THR 33 14.984 -9.039 -6.599 216 1HG2 THR 33 1HG2 THR 33 16.061 -6.316 -5.753 217 2HG2 THR 33 2HG2 THR 33 14.784 -5.876 -4.620 218 3HG2 THR 33 3HG2 THR 33 14.765 -5.232 -6.261 219 H LEU 34 H LEU 34 11.063 -6.843 -7.228 220 HA LEU 34 HA LEU 34 9.955 -9.519 -7.296 221 1HB LEU 34 2HB LEU 34 9.404 -7.120 -9.052 222 HG LEU 34 HG LEU 34 8.619 -6.697 -6.769 223 1HD1 LEU 34 1HD1 LEU 34 6.093 -6.645 -7.380 224 2HD1 LEU 34 2HD1 LEU 34 7.240 -5.664 -8.295 225 3HD1 LEU 34 3HD1 LEU 34 6.656 -7.189 -8.962 226 1HD2 LEU 34 1HD2 LEU 34 6.496 -8.501 -6.486 227 2HD2 LEU 34 2HD2 LEU 34 7.907 -9.478 -6.899 228 3HD2 LEU 34 3HD2 LEU 34 7.959 -8.399 -5.505 229 H SER 35 H SER 35 12.592 -9.671 -7.788 230 HA SER 35 HA SER 35 12.745 -10.792 -10.428 231 1HB SER 35 2HB SER 35 13.180 -8.398 -10.902 232 HG SER 35 HG SER 35 15.713 -9.631 -10.984 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -11.514 -8.920 7.636 2 2H GLY 1 2H GLY 1 -10.975 -10.358 6.919 3 3H GLY 1 3H GLY 1 -10.858 -10.150 8.598 4 1HA GLY 1 2HA GLY 1 -12.725 -11.395 8.587 5 2HA GLY 1 1HA GLY 1 -13.443 -9.805 8.382 6 H SER 2 H SER 2 -12.825 -9.277 5.749 7 HA SER 2 HA SER 2 -13.511 -11.385 3.980 8 1HB SER 2 2HB SER 2 -15.789 -10.545 3.376 9 HG SER 2 HG SER 2 -16.575 -8.838 4.310 10 H SER 3 H SER 3 -15.164 -9.132 2.496 11 HA SER 3 HA SER 3 -13.032 -8.153 0.915 12 1HB SER 3 2HB SER 3 -15.856 -7.082 1.200 13 HG SER 3 HG SER 3 -14.841 -8.810 -0.813 14 H GLY 4 H GLY 4 -11.739 -6.438 1.188 15 1HA GLY 4 1HA GLY 4 -11.745 -5.093 3.697 16 2HA GLY 4 2HA GLY 4 -10.645 -4.798 2.361 17 H LYS 5 H LYS 5 -10.628 -2.691 2.052 18 HA LYS 5 HA LYS 5 -12.938 -1.278 1.146 19 1HB LYS 5 2HB LYS 5 -13.180 -1.338 3.666 20 1HG LYS 5 2HG LYS 5 -12.770 1.407 2.502 21 1HD LYS 5 2HD LYS 5 -14.337 0.535 4.922 22 1HE LYS 5 2HE LYS 5 -14.564 2.921 5.358 23 1HZ LYS 5 1HZ LYS 5 -15.981 1.590 3.521 24 2HZ LYS 5 2HZ LYS 5 -15.426 2.901 2.598 25 3HZ LYS 5 3HZ LYS 5 -16.316 3.176 4.016 26 H ARG 6 H ARG 6 -12.186 1.169 0.921 27 HA ARG 6 HA ARG 6 -9.915 0.967 -0.727 28 1HB ARG 6 2HB ARG 6 -11.870 2.259 -1.355 29 1HG ARG 6 2HG ARG 6 -10.830 4.250 -2.228 30 1HD ARG 6 2HD ARG 6 -8.856 3.277 -3.315 31 HE ARG 6 HE ARG 6 -11.381 2.105 -3.454 32 1HH1 ARG 6 2HH1 ARG 6 -8.049 1.249 -4.071 33 2HH1 ARG 6 1HH1 ARG 6 -8.419 0.121 -5.335 34 1HH2 ARG 6 2HH2 ARG 6 -11.894 0.606 -5.133 35 2HH2 ARG 6 1HH2 ARG 6 -10.602 -0.246 -5.941 36 HA PRO 7 HA PRO 7 -7.800 4.148 2.303 37 1HB PRO 7 2HB PRO 7 -8.199 3.744 4.930 38 1HG PRO 7 2HG PRO 7 -9.538 1.815 4.668 39 1HD PRO 7 2HD PRO 7 -10.905 1.520 2.813 40 H PHE 8 H PHE 8 -7.485 1.236 1.580 41 HA PHE 8 HA PHE 8 -5.523 0.336 3.557 42 1HB PHE 8 2HB PHE 8 -6.690 -1.006 1.107 43 HD1 PHE 8 1HD PHE 8 -7.943 0.287 3.856 44 HD2 PHE 8 2HD PHE 8 -7.157 -3.589 2.306 45 HE1 PHE 8 1HE PHE 8 -9.780 -0.616 5.208 46 HE2 PHE 8 2HE PHE 8 -8.987 -4.511 3.650 47 HZ PHE 8 HZ PHE 8 -10.311 -3.008 5.117 48 H VAL 9 H VAL 9 -4.813 2.631 2.260 49 HA VAL 9 HA VAL 9 -3.361 2.098 -0.132 50 HB VAL 9 HB VAL 9 -4.415 4.315 0.454 51 1HG1 VAL 9 1HG1 VAL 9 -3.199 4.178 2.791 52 2HG1 VAL 9 2HG1 VAL 9 -1.948 5.058 1.910 53 3HG1 VAL 9 3HG1 VAL 9 -3.578 5.726 2.029 54 1HG2 VAL 9 1HG2 VAL 9 -1.778 3.841 -0.721 55 2HG2 VAL 9 2HG2 VAL 9 -3.176 4.705 -1.366 56 3HG2 VAL 9 3HG2 VAL 9 -2.080 5.514 -0.246 57 H CYS 10 H CYS 10 -1.182 1.987 -0.448 58 HA CYS 10 HA CYS 10 0.386 0.792 1.547 59 1HB CYS 10 2HB CYS 10 0.743 0.382 -0.810 60 H ARG 11 H ARG 11 1.846 1.560 2.910 61 HA ARG 11 HA ARG 11 1.793 4.304 3.616 62 1HB ARG 11 2HB ARG 11 3.353 3.688 5.366 63 1HG ARG 11 2HG ARG 11 3.648 1.074 3.908 64 1HD ARG 11 2HD ARG 11 3.395 0.575 6.242 65 HE ARG 11 HE ARG 11 4.586 3.011 6.816 66 1HH1 ARG 11 2HH1 ARG 11 5.132 -0.307 7.743 67 2HH1 ARG 11 1HH1 ARG 11 5.446 0.059 9.412 68 1HH2 ARG 11 2HH2 ARG 11 5.011 3.528 9.032 69 2HH2 ARG 11 1HH2 ARG 11 5.359 2.232 10.147 70 H ILE 12 H ILE 12 4.042 2.266 1.815 71 HA ILE 12 HA ILE 12 6.109 4.259 1.810 72 HB ILE 12 HB ILE 12 5.946 1.751 0.144 73 1HG1 ILE 12 2HG1 ILE 12 5.867 1.226 2.537 74 1HG2 ILE 12 1HG2 ILE 12 7.761 3.953 0.160 75 2HG2 ILE 12 2HG2 ILE 12 8.602 2.515 0.743 76 3HG2 ILE 12 3HG2 ILE 12 7.801 2.493 -0.829 77 1HD1 ILE 12 1HD1 ILE 12 7.523 3.451 2.869 78 2HD1 ILE 12 2HD1 ILE 12 6.940 2.337 4.107 79 3HD1 ILE 12 3HD1 ILE 12 8.489 2.045 3.316 80 H CYS 13 H CYS 13 4.088 2.844 -0.798 81 HA CYS 13 HA CYS 13 4.708 5.236 -2.352 82 1HB CYS 13 2HB CYS 13 3.800 4.129 -4.321 83 H LEU 14 H LEU 14 1.873 4.115 -3.517 84 HA LEU 14 HA LEU 14 0.055 5.089 -1.549 85 1HB LEU 14 2HB LEU 14 0.568 6.772 -3.995 86 HG LEU 14 HG LEU 14 1.704 7.529 -1.930 87 1HD1 LEU 14 1HD1 LEU 14 0.813 9.832 -1.979 88 2HD1 LEU 14 2HD1 LEU 14 1.057 9.167 -3.594 89 3HD1 LEU 14 3HD1 LEU 14 -0.567 9.256 -2.913 90 1HD2 LEU 14 1HD2 LEU 14 0.543 8.114 0.012 91 2HD2 LEU 14 2HD2 LEU 14 -1.018 8.107 -0.809 92 3HD2 LEU 14 3HD2 LEU 14 -0.194 6.584 -0.467 93 H SER 15 H SER 15 0.535 2.725 -3.029 94 HA SER 15 HA SER 15 -1.635 2.491 -4.933 95 1HB SER 15 2HB SER 15 0.095 0.349 -3.659 96 HG SER 15 HG SER 15 1.446 1.614 -4.867 97 H ALA 16 H ALA 16 -3.683 2.241 -4.297 98 HA ALA 16 HA ALA 16 -4.232 1.406 -1.546 99 1HB ALA 16 1HB ALA 16 -5.636 3.146 -1.819 100 2HB ALA 16 2HB ALA 16 -5.660 2.987 -3.577 101 3HB ALA 16 3HB ALA 16 -6.671 1.939 -2.583 102 H PHE 17 H PHE 17 -4.935 -0.614 -1.080 103 HA PHE 17 HA PHE 17 -5.768 -2.280 -3.351 104 1HB PHE 17 2HB PHE 17 -4.476 -3.186 -0.767 105 HD1 PHE 17 1HD PHE 17 -2.796 -1.275 -1.638 106 HD2 PHE 17 2HD PHE 17 -3.483 -5.035 -3.517 107 HE1 PHE 17 1HE PHE 17 -0.625 -1.105 -2.775 108 HE2 PHE 17 2HE PHE 17 -1.307 -4.869 -4.651 109 HZ PHE 17 HZ PHE 17 0.124 -2.903 -4.279 110 H THR 18 H THR 18 -7.473 -3.714 -3.126 111 HA THR 18 HA THR 18 -9.675 -2.713 -1.708 112 HB THR 18 HB THR 18 -10.775 -4.885 -2.304 113 HG1 THR 18 1HG THR 18 -9.627 -6.471 -3.181 114 1HG2 THR 18 1HG2 THR 18 -10.335 -4.491 -4.868 115 2HG2 THR 18 2HG2 THR 18 -9.453 -3.082 -4.278 116 3HG2 THR 18 3HG2 THR 18 -11.164 -3.274 -3.898 117 H THR 19 H THR 19 -7.618 -5.529 -1.043 118 HA THR 19 HA THR 19 -8.806 -5.650 1.642 119 HB THR 19 HB THR 19 -8.235 -8.035 1.717 120 HG1 THR 19 1HG THR 19 -7.635 -9.015 -0.363 121 1HG2 THR 19 1HG2 THR 19 -9.908 -7.125 -0.608 122 2HG2 THR 19 2HG2 THR 19 -10.446 -7.600 1.004 123 3HG2 THR 19 3HG2 THR 19 -9.806 -8.814 -0.105 124 H LYS 20 H LYS 20 -7.480 -6.040 3.389 125 HA LYS 20 HA LYS 20 -4.951 -4.853 3.482 126 1HB LYS 20 2HB LYS 20 -6.233 -6.931 5.261 127 1HG LYS 20 2HG LYS 20 -5.779 -4.014 5.660 128 1HD LYS 20 2HD LYS 20 -7.301 -6.030 7.300 129 1HE LYS 20 2HE LYS 20 -6.894 -3.077 7.756 130 1HZ LYS 20 1HZ LYS 20 -7.056 -4.625 9.743 131 2HZ LYS 20 2HZ LYS 20 -8.669 -4.882 9.279 132 3HZ LYS 20 3HZ LYS 20 -8.142 -3.323 9.690 133 H ALA 21 H ALA 21 -6.002 -8.101 2.890 134 HA ALA 21 HA ALA 21 -3.629 -9.438 3.183 135 1HB ALA 21 1HB ALA 21 -6.215 -9.939 1.940 136 2HB ALA 21 2HB ALA 21 -4.893 -10.807 1.155 137 3HB ALA 21 3HB ALA 21 -5.184 -11.020 2.882 138 H ASN 22 H ASN 22 -4.909 -7.745 0.332 139 HA ASN 22 HA ASN 22 -2.780 -8.527 -1.407 140 1HB ASN 22 2HB ASN 22 -4.671 -6.180 -1.606 141 1HD2 ASN 22 1HD2 ASN 22 -6.599 -6.657 -2.348 142 2HD2 ASN 22 2HD2 ASN 22 -7.064 -8.145 -3.087 143 H CYS 23 H CYS 23 -3.342 -5.700 0.635 144 HA CYS 23 HA CYS 23 -1.120 -4.206 -0.203 145 1HB CYS 23 2HB CYS 23 -3.006 -3.298 1.128 146 HG CYS 23 HG CYS 23 -1.521 -1.238 1.463 147 H ALA 24 H ALA 24 -1.476 -6.659 2.312 148 HA ALA 24 HA ALA 24 1.019 -6.378 3.545 149 1HB ALA 24 1HB ALA 24 0.059 -7.868 4.863 150 2HB ALA 24 2HB ALA 24 -1.173 -8.202 3.644 151 3HB ALA 24 3HB ALA 24 0.341 -9.105 3.635 152 H ARG 25 H ARG 25 0.075 -8.515 0.840 153 HA ARG 25 HA ARG 25 2.645 -9.685 0.581 154 1HB ARG 25 2HB ARG 25 1.875 -10.615 -1.520 155 1HG ARG 25 2HG ARG 25 -0.528 -8.821 -1.296 156 1HD ARG 25 2HD ARG 25 0.180 -10.986 -3.269 157 HE ARG 25 HE ARG 25 -1.376 -8.720 -3.744 158 1HH1 ARG 25 2HH1 ARG 25 -1.714 -12.209 -3.958 159 2HH1 ARG 25 1HH1 ARG 25 -2.814 -12.133 -5.297 160 1HH2 ARG 25 2HH2 ARG 25 -2.813 -8.638 -5.503 161 2HH2 ARG 25 1HH2 ARG 25 -3.444 -10.113 -6.174 162 H HIS 26 H HIS 26 1.141 -6.847 -0.741 163 HA HIS 26 HA HIS 26 2.895 -6.182 -2.809 164 1HB HIS 26 2HB HIS 26 0.836 -5.005 -2.582 165 HD1 HIS 26 1HD HIS 26 2.446 -3.790 -4.484 166 HD2 HIS 26 2HD HIS 26 2.417 -2.162 -0.657 167 HE1 HIS 26 1HE HIS 26 3.467 -1.464 -4.663 168 H LEU 27 H LEU 27 2.973 -5.351 0.604 169 HA LEU 27 HA LEU 27 4.675 -3.321 0.656 170 1HB LEU 27 2HB LEU 27 3.481 -4.258 2.589 171 HG LEU 27 HG LEU 27 6.416 -3.872 3.192 172 1HD1 LEU 27 1HD1 LEU 27 4.230 -1.814 3.359 173 2HD1 LEU 27 2HD1 LEU 27 5.976 -1.574 3.439 174 3HD1 LEU 27 3HD1 LEU 27 5.215 -2.031 1.912 175 1HD2 LEU 27 1HD2 LEU 27 4.340 -3.115 5.135 176 2HD2 LEU 27 2HD2 LEU 27 4.543 -4.848 4.880 177 3HD2 LEU 27 3HD2 LEU 27 5.914 -3.866 5.390 178 H LYS 28 H LYS 28 5.798 -6.687 0.558 179 HA LYS 28 HA LYS 28 8.442 -6.254 1.174 180 1HB LYS 28 2HB LYS 28 8.964 -8.376 0.102 181 1HG LYS 28 2HG LYS 28 6.153 -8.353 -0.963 182 1HD LYS 28 2HD LYS 28 8.354 -10.409 -1.119 183 1HE LYS 28 2HE LYS 28 7.043 -10.341 -3.171 184 1HZ LYS 28 1HZ LYS 28 4.636 -10.996 -2.951 185 2HZ LYS 28 2HZ LYS 28 5.010 -9.400 -2.526 186 3HZ LYS 28 3HZ LYS 28 4.745 -10.559 -1.315 187 H VAL 29 H VAL 29 6.890 -5.524 -1.879 188 HA VAL 29 HA VAL 29 9.070 -5.628 -3.590 189 HB VAL 29 HB VAL 29 7.982 -3.990 -5.018 190 1HG1 VAL 29 1HG1 VAL 29 5.505 -5.207 -4.388 191 2HG1 VAL 29 2HG1 VAL 29 6.652 -5.632 -5.657 192 3HG1 VAL 29 3HG1 VAL 29 6.785 -6.374 -4.062 193 1HG2 VAL 29 1HG2 VAL 29 5.585 -3.466 -3.559 194 2HG2 VAL 29 2HG2 VAL 29 6.972 -2.933 -2.609 195 3HG2 VAL 29 3HG2 VAL 29 6.739 -2.325 -4.248 196 H HIS 30 H HIS 30 8.197 -3.112 -1.294 197 HA HIS 30 HA HIS 30 10.183 -1.255 -2.212 198 1HB HIS 30 2HB HIS 30 8.573 -1.298 0.343 199 HD1 HIS 30 1HD HIS 30 8.672 0.846 -2.856 200 HD2 HIS 30 2HD HIS 30 6.003 -0.993 -0.228 201 HE1 HIS 30 1HE HIS 30 6.329 1.505 -3.593 202 H THR 31 H THR 31 11.390 -3.716 -1.661 203 HA THR 31 HA THR 31 13.630 -2.901 -0.258 204 HB THR 31 HB THR 31 12.285 -3.074 1.789 205 HG1 THR 31 1HG THR 31 14.529 -3.604 1.847 206 1HG2 THR 31 1HG2 THR 31 10.676 -4.772 1.191 207 2HG2 THR 31 2HG2 THR 31 11.575 -5.305 2.613 208 3HG2 THR 31 3HG2 THR 31 11.954 -5.977 1.028 209 H ASP 32 H ASP 32 11.621 -5.672 -1.135 210 HA ASP 32 HA ASP 32 13.834 -7.453 -1.570 211 1HB ASP 32 2HB ASP 32 11.576 -8.295 -1.041 212 H THR 33 H THR 33 11.586 -7.187 -4.192 213 HA THR 33 HA THR 33 13.177 -5.468 -5.814 214 HB THR 33 HB THR 33 14.562 -7.486 -5.982 215 HG1 THR 33 1HG THR 33 14.235 -7.764 -8.370 216 1HG2 THR 33 1HG2 THR 33 12.083 -8.840 -6.016 217 2HG2 THR 33 2HG2 THR 33 13.701 -9.537 -6.065 218 3HG2 THR 33 3HG2 THR 33 12.862 -9.151 -7.567 219 H LEU 34 H LEU 34 11.976 -4.646 -7.450 220 HA LEU 34 HA LEU 34 9.179 -5.244 -7.394 221 1HB LEU 34 2HB LEU 34 10.748 -3.286 -9.067 222 HG LEU 34 HG LEU 34 8.990 -2.847 -6.657 223 1HD1 LEU 34 1HD1 LEU 34 10.864 -1.952 -5.588 224 2HD1 LEU 34 2HD1 LEU 34 11.464 -3.412 -6.375 225 3HD1 LEU 34 3HD1 LEU 34 11.776 -1.830 -7.092 226 1HD2 LEU 34 1HD2 LEU 34 8.515 -1.262 -8.520 227 2HD2 LEU 34 2HD2 LEU 34 9.124 -0.507 -7.047 228 3HD2 LEU 34 3HD2 LEU 34 10.197 -0.740 -8.426 229 H SER 35 H SER 35 11.790 -5.630 -9.724 230 HA SER 35 HA SER 35 10.400 -7.773 -11.049 231 1HB SER 35 2HB SER 35 11.016 -5.233 -12.587 232 HG SER 35 HG SER 35 8.761 -6.143 -11.367 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -13.936 -16.105 -3.390 2 2H GLY 1 2H GLY 1 -15.506 -15.734 -2.862 3 3H GLY 1 3H GLY 1 -14.306 -16.127 -1.734 4 1HA GLY 1 2HA GLY 1 -13.231 -14.035 -3.113 5 2HA GLY 1 1HA GLY 1 -14.930 -13.612 -2.930 6 H SER 2 H SER 2 -12.301 -12.703 -1.660 7 HA SER 2 HA SER 2 -13.389 -12.343 0.981 8 1HB SER 2 2HB SER 2 -11.322 -13.252 2.107 9 HG SER 2 HG SER 2 -10.853 -14.881 -0.102 10 H SER 3 H SER 3 -12.992 -10.555 -0.963 11 HA SER 3 HA SER 3 -11.307 -8.642 0.303 12 1HB SER 3 2HB SER 3 -10.575 -9.539 -2.504 13 HG SER 3 HG SER 3 -9.687 -10.375 -0.189 14 H GLY 4 H GLY 4 -12.160 -6.664 -0.012 15 1HA GLY 4 1HA GLY 4 -13.694 -5.864 -2.283 16 2HA GLY 4 2HA GLY 4 -14.738 -6.471 -1.003 17 H LYS 5 H LYS 5 -14.306 -3.740 -2.181 18 HA LYS 5 HA LYS 5 -14.375 -1.572 -1.435 19 1HB LYS 5 2HB LYS 5 -15.532 -2.119 0.580 20 1HG LYS 5 2HG LYS 5 -14.597 -0.769 2.335 21 1HD LYS 5 2HD LYS 5 -13.998 0.451 -0.351 22 1HE LYS 5 2HE LYS 5 -14.604 1.729 2.313 23 1HZ LYS 5 1HZ LYS 5 -15.131 2.738 -0.142 24 2HZ LYS 5 2HZ LYS 5 -13.590 3.372 0.186 25 3HZ LYS 5 3HZ LYS 5 -14.867 3.653 1.261 26 H ARG 6 H ARG 6 -12.764 -0.094 -1.587 27 HA ARG 6 HA ARG 6 -10.040 -1.132 -1.167 28 1HB ARG 6 2HB ARG 6 -10.607 -0.601 -3.498 29 1HG ARG 6 2HG ARG 6 -8.639 1.349 -2.321 30 1HD ARG 6 2HD ARG 6 -9.294 1.953 -4.604 31 HE ARG 6 HE ARG 6 -9.260 -0.773 -5.178 32 1HH1 ARG 6 2HH1 ARG 6 -8.027 2.210 -6.507 33 2HH1 ARG 6 1HH1 ARG 6 -8.075 1.661 -8.156 34 1HH2 ARG 6 2HH2 ARG 6 -9.336 -1.521 -7.343 35 2HH2 ARG 6 1HH2 ARG 6 -8.799 -0.471 -8.624 36 HA PRO 7 HA PRO 7 -10.465 2.433 1.813 37 1HB PRO 7 2HB PRO 7 -9.535 0.673 3.898 38 1HG PRO 7 2HG PRO 7 -10.803 -1.204 3.593 39 1HD PRO 7 2HD PRO 7 -9.595 -1.354 1.623 40 H PHE 8 H PHE 8 -8.083 -0.148 1.855 41 HA PHE 8 HA PHE 8 -6.109 1.402 3.146 42 1HB PHE 8 2HB PHE 8 -5.677 -1.202 1.697 43 HD1 PHE 8 1HD PHE 8 -7.380 -2.669 2.092 44 HD2 PHE 8 2HD PHE 8 -6.036 -0.173 5.248 45 HE1 PHE 8 1HE PHE 8 -8.870 -3.851 3.637 46 HE2 PHE 8 2HE PHE 8 -7.525 -1.353 6.821 47 HZ PHE 8 HZ PHE 8 -8.950 -3.196 6.012 48 H VAL 9 H VAL 9 -4.517 2.595 2.386 49 HA VAL 9 HA VAL 9 -3.718 2.266 -0.419 50 HB VAL 9 HB VAL 9 -4.711 4.531 0.155 51 1HG1 VAL 9 1HG1 VAL 9 -3.036 6.093 1.263 52 2HG1 VAL 9 2HG1 VAL 9 -3.943 4.995 2.306 53 3HG1 VAL 9 3HG1 VAL 9 -2.268 4.629 1.881 54 1HG2 VAL 9 1HG2 VAL 9 -1.839 4.688 -0.727 55 2HG2 VAL 9 2HG2 VAL 9 -3.122 4.034 -1.745 56 3HG2 VAL 9 3HG2 VAL 9 -3.186 5.715 -1.217 57 H CYS 10 H CYS 10 -1.496 1.996 -0.743 58 HA CYS 10 HA CYS 10 -0.105 0.685 1.237 59 1HB CYS 10 2HB CYS 10 0.478 0.419 -1.086 60 H ARG 11 H ARG 11 1.296 1.181 2.733 61 HA ARG 11 HA ARG 11 1.307 3.777 3.826 62 1HB ARG 11 2HB ARG 11 3.146 1.482 4.524 63 1HG ARG 11 2HG ARG 11 0.376 2.064 5.546 64 1HD ARG 11 2HD ARG 11 1.784 1.240 7.339 65 HE ARG 11 HE ARG 11 3.120 -0.285 5.490 66 1HH1 ARG 11 2HH1 ARG 11 1.453 -0.950 8.494 67 2HH1 ARG 11 1HH1 ARG 11 2.570 -2.186 8.987 68 1HH2 ARG 11 2HH2 ARG 11 4.601 -1.902 6.148 69 2HH2 ARG 11 1HH2 ARG 11 4.338 -2.753 7.639 70 H ILE 12 H ILE 12 3.626 1.915 1.932 71 HA ILE 12 HA ILE 12 5.659 3.893 2.337 72 HB ILE 12 HB ILE 12 5.724 1.507 0.496 73 1HG1 ILE 12 2HG1 ILE 12 5.398 0.828 2.827 74 1HG2 ILE 12 1HG2 ILE 12 8.298 2.049 1.226 75 2HG2 ILE 12 2HG2 ILE 12 7.547 2.563 -0.285 76 3HG2 ILE 12 3HG2 ILE 12 7.613 3.667 1.091 77 1HD1 ILE 12 1HD1 ILE 12 7.639 1.375 4.226 78 2HD1 ILE 12 2HD1 ILE 12 7.396 2.895 3.368 79 3HD1 ILE 12 3HD1 ILE 12 6.115 2.250 4.393 80 H CYS 13 H CYS 13 3.979 2.669 -0.594 81 HA CYS 13 HA CYS 13 4.790 5.139 -1.915 82 1HB CYS 13 2HB CYS 13 4.035 4.197 -4.030 83 H LEU 14 H LEU 14 2.064 4.158 -3.417 84 HA LEU 14 HA LEU 14 0.086 5.143 -1.605 85 1HB LEU 14 2HB LEU 14 0.840 6.833 -3.986 86 HG LEU 14 HG LEU 14 1.855 7.561 -1.854 87 1HD1 LEU 14 1HD1 LEU 14 1.268 9.839 -2.066 88 2HD1 LEU 14 2HD1 LEU 14 1.080 9.136 -3.673 89 3HD1 LEU 14 3HD1 LEU 14 -0.340 9.442 -2.673 90 1HD2 LEU 14 1HD2 LEU 14 -0.758 8.408 -0.778 91 2HD2 LEU 14 2HD2 LEU 14 -0.394 6.685 -0.663 92 3HD2 LEU 14 3HD2 LEU 14 0.695 7.869 0.061 93 H SER 15 H SER 15 0.646 2.780 -3.089 94 HA SER 15 HA SER 15 -1.384 2.658 -5.161 95 1HB SER 15 2HB SER 15 0.263 0.451 -3.897 96 HG SER 15 HG SER 15 1.677 1.746 -4.976 97 H ALA 16 H ALA 16 -3.478 2.237 -4.727 98 HA ALA 16 HA ALA 16 -4.216 1.572 -2.003 99 1HB ALA 16 1HB ALA 16 -6.478 2.118 -2.651 100 2HB ALA 16 2HB ALA 16 -5.376 3.387 -3.189 101 3HB ALA 16 3HB ALA 16 -6.000 2.209 -4.346 102 H PHE 17 H PHE 17 -5.199 -0.289 -1.326 103 HA PHE 17 HA PHE 17 -5.844 -2.323 -3.341 104 1HB PHE 17 2HB PHE 17 -4.275 -2.932 -0.822 105 HD1 PHE 17 1HD PHE 17 -2.672 -1.096 -1.859 106 HD2 PHE 17 2HD PHE 17 -3.473 -4.901 -3.588 107 HE1 PHE 17 1HE PHE 17 -0.593 -0.942 -3.154 108 HE2 PHE 17 2HE PHE 17 -1.388 -4.750 -4.885 109 HZ PHE 17 HZ PHE 17 0.056 -2.765 -4.668 110 H THR 18 H THR 18 -7.525 -3.648 -2.823 111 HA THR 18 HA THR 18 -9.543 -2.615 -1.241 112 HB THR 18 HB THR 18 -10.645 -4.845 -1.512 113 HG1 THR 18 1HG THR 18 -9.301 -6.139 -3.183 114 1HG2 THR 18 1HG2 THR 18 -9.836 -2.971 -3.530 115 2HG2 THR 18 2HG2 THR 18 -11.345 -3.873 -3.387 116 3HG2 THR 18 3HG2 THR 18 -9.966 -4.585 -4.224 117 H THR 19 H THR 19 -7.107 -5.005 -0.386 118 HA THR 19 HA THR 19 -8.025 -4.866 2.393 119 HB THR 19 HB THR 19 -7.733 -7.303 2.649 120 HG1 THR 19 1HG THR 19 -7.913 -8.139 0.143 121 1HG2 THR 19 1HG2 THR 19 -9.979 -6.425 2.210 122 2HG2 THR 19 2HG2 THR 19 -9.762 -8.024 1.498 123 3HG2 THR 19 3HG2 THR 19 -9.702 -6.589 0.476 124 H LYS 20 H LYS 20 -6.485 -5.443 3.944 125 HA LYS 20 HA LYS 20 -3.773 -4.803 3.419 126 1HB LYS 20 2HB LYS 20 -5.178 -6.101 5.721 127 1HG LYS 20 2HG LYS 20 -3.415 -3.712 5.430 128 1HD LYS 20 2HD LYS 20 -4.932 -4.675 7.850 129 1HE LYS 20 2HE LYS 20 -4.805 -2.243 7.698 130 1HZ LYS 20 1HZ LYS 20 -2.781 -2.121 6.310 131 2HZ LYS 20 2HZ LYS 20 -1.850 -2.582 7.646 132 3HZ LYS 20 3HZ LYS 20 -2.704 -1.117 7.674 133 H ALA 21 H ALA 21 -5.649 -7.679 3.232 134 HA ALA 21 HA ALA 21 -3.667 -9.603 3.240 135 1HB ALA 21 1HB ALA 21 -5.345 -10.757 1.566 136 2HB ALA 21 2HB ALA 21 -5.792 -10.508 3.253 137 3HB ALA 21 3HB ALA 21 -6.385 -9.401 2.012 138 H ASN 22 H ASN 22 -4.895 -7.577 0.606 139 HA ASN 22 HA ASN 22 -3.026 -8.630 -1.338 140 1HB ASN 22 2HB ASN 22 -4.705 -6.114 -1.424 141 1HD2 ASN 22 1HD2 ASN 22 -6.762 -6.448 -1.748 142 2HD2 ASN 22 2HD2 ASN 22 -7.471 -7.872 -2.396 143 H CYS 23 H CYS 23 -3.262 -5.755 0.702 144 HA CYS 23 HA CYS 23 -1.089 -4.357 -0.338 145 1HB CYS 23 2HB CYS 23 -2.785 -3.368 1.151 146 HG CYS 23 HG CYS 23 -0.715 -1.644 0.912 147 H ALA 24 H ALA 24 -1.187 -6.777 2.237 148 HA ALA 24 HA ALA 24 1.394 -6.429 3.231 149 1HB ALA 24 1HB ALA 24 0.483 -9.200 3.266 150 2HB ALA 24 2HB ALA 24 0.863 -8.110 4.600 151 3HB ALA 24 3HB ALA 24 -0.726 -8.047 3.835 152 H ARG 25 H ARG 25 0.258 -8.615 0.658 153 HA ARG 25 HA ARG 25 2.807 -9.765 0.193 154 1HB ARG 25 2HB ARG 25 1.866 -10.686 -1.848 155 1HG ARG 25 2HG ARG 25 -0.481 -8.873 -1.361 156 1HD ARG 25 2HD ARG 25 -0.109 -11.141 -3.309 157 HE ARG 25 HE ARG 25 -1.662 -8.886 -3.713 158 1HH1 ARG 25 2HH1 ARG 25 -2.230 -12.329 -3.390 159 2HH1 ARG 25 1HH1 ARG 25 -3.558 -12.344 -4.514 160 1HH2 ARG 25 2HH2 ARG 25 -3.420 -8.906 -5.199 161 2HH2 ARG 25 1HH2 ARG 25 -4.221 -10.410 -5.542 162 H HIS 26 H HIS 26 1.164 -6.939 -1.029 163 HA HIS 26 HA HIS 26 2.937 -6.209 -3.107 164 1HB HIS 26 2HB HIS 26 0.843 -5.089 -3.001 165 HD1 HIS 26 1HD HIS 26 2.471 -3.723 -4.755 166 HD2 HIS 26 2HD HIS 26 2.243 -2.299 -0.852 167 HE1 HIS 26 1HE HIS 26 3.468 -1.376 -4.767 168 H LEU 27 H LEU 27 2.829 -5.427 0.323 169 HA LEU 27 HA LEU 27 4.536 -3.384 0.525 170 1HB LEU 27 2HB LEU 27 3.263 -4.316 2.382 171 HG LEU 27 HG LEU 27 6.202 -4.141 3.065 172 1HD1 LEU 27 1HD1 LEU 27 4.211 -2.173 2.350 173 2HD1 LEU 27 2HD1 LEU 27 4.859 -1.888 3.967 174 3HD1 LEU 27 3HD1 LEU 27 5.949 -1.987 2.584 175 1HD2 LEU 27 1HD2 LEU 27 4.784 -3.354 5.266 176 2HD2 LEU 27 2HD2 LEU 27 3.830 -4.708 4.665 177 3HD2 LEU 27 3HD2 LEU 27 5.535 -4.934 5.045 178 H LYS 28 H LYS 28 5.551 -6.750 0.317 179 HA LYS 28 HA LYS 28 8.152 -6.528 1.134 180 1HB LYS 28 2HB LYS 28 8.643 -8.536 -0.173 181 1HG LYS 28 2HG LYS 28 5.881 -8.234 -1.331 182 1HD LYS 28 2HD LYS 28 6.470 -10.244 -2.609 183 1HE LYS 28 2HE LYS 28 6.800 -10.619 0.363 184 1HZ LYS 28 1HZ LYS 28 6.396 -12.816 0.078 185 2HZ LYS 28 2HZ LYS 28 7.219 -12.531 -1.378 186 3HZ LYS 28 3HZ LYS 28 5.523 -12.607 -1.362 187 H VAL 29 H VAL 29 6.875 -5.586 -2.016 188 HA VAL 29 HA VAL 29 9.198 -5.534 -3.514 189 HB VAL 29 HB VAL 29 8.198 -3.850 -4.938 190 1HG1 VAL 29 1HG1 VAL 29 6.394 -5.991 -3.897 191 2HG1 VAL 29 2HG1 VAL 29 5.862 -4.900 -5.178 192 3HG1 VAL 29 3HG1 VAL 29 7.284 -5.914 -5.418 193 1HG2 VAL 29 1HG2 VAL 29 7.209 -2.162 -3.818 194 2HG2 VAL 29 2HG2 VAL 29 5.764 -3.143 -4.059 195 3HG2 VAL 29 3HG2 VAL 29 6.629 -3.211 -2.523 196 H HIS 30 H HIS 30 8.091 -3.211 -1.131 197 HA HIS 30 HA HIS 30 10.083 -1.243 -1.762 198 1HB HIS 30 2HB HIS 30 8.280 -1.563 0.647 199 HD1 HIS 30 1HD HIS 30 8.623 0.919 -2.263 200 HD2 HIS 30 2HD HIS 30 5.756 -1.218 -0.117 201 HE1 HIS 30 1HE HIS 30 6.360 1.583 -3.197 202 H THR 31 H THR 31 9.544 -3.494 0.896 203 HA THR 31 HA THR 31 11.870 -2.771 2.315 204 HB THR 31 HB THR 31 11.313 -4.726 3.744 205 HG1 THR 31 1HG THR 31 10.100 -6.244 2.918 206 1HG2 THR 31 1HG2 THR 31 9.060 -2.857 3.022 207 2HG2 THR 31 2HG2 THR 31 10.307 -2.596 4.243 208 3HG2 THR 31 3HG2 THR 31 9.099 -3.859 4.474 209 H ASP 32 H ASP 32 11.217 -5.291 -0.028 210 HA ASP 32 HA ASP 32 14.005 -6.185 0.191 211 1HB ASP 32 2HB ASP 32 12.659 -7.672 1.568 212 H THR 33 H THR 33 14.927 -6.924 -1.644 213 HA THR 33 HA THR 33 13.715 -6.118 -4.109 214 HB THR 33 HB THR 33 16.089 -5.762 -3.825 215 HG1 THR 33 1HG THR 33 16.525 -7.673 -5.658 216 1HG2 THR 33 1HG2 THR 33 16.118 -8.175 -2.512 217 2HG2 THR 33 2HG2 THR 33 17.539 -7.244 -2.985 218 3HG2 THR 33 3HG2 THR 33 16.948 -8.539 -4.023 219 H LEU 34 H LEU 34 12.636 -7.330 -5.520 220 HA LEU 34 HA LEU 34 12.249 -10.153 -4.936 221 1HB LEU 34 2HB LEU 34 11.017 -8.444 -7.103 222 HG LEU 34 HG LEU 34 10.261 -7.605 -4.947 223 1HD1 LEU 34 1HD1 LEU 34 7.931 -9.225 -5.754 224 2HD1 LEU 34 2HD1 LEU 34 8.094 -7.478 -5.561 225 3HD1 LEU 34 3HD1 LEU 34 8.700 -8.263 -7.018 226 1HD2 LEU 34 1HD2 LEU 34 8.955 -9.153 -3.464 227 2HD2 LEU 34 2HD2 LEU 34 9.627 -10.494 -4.396 228 3HD2 LEU 34 3HD2 LEU 34 10.698 -9.423 -3.491 229 H SER 35 H SER 35 14.831 -9.454 -5.716 230 HA SER 35 HA SER 35 15.247 -11.218 -7.926 231 1HB SER 35 2HB SER 35 16.490 -9.493 -9.291 232 HG SER 35 HG SER 35 15.339 -7.828 -7.334 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -10.361 -11.048 9.656 2 2H GLY 1 2H GLY 1 -9.287 -10.411 8.511 3 3H GLY 1 3H GLY 1 -10.227 -11.768 8.126 4 1HA GLY 1 2HA GLY 1 -12.010 -9.801 8.915 5 2HA GLY 1 1HA GLY 1 -10.854 -9.029 7.837 6 H SER 2 H SER 2 -13.769 -10.037 7.686 7 HA SER 2 HA SER 2 -13.896 -12.076 5.757 8 1HB SER 2 2HB SER 2 -15.826 -11.415 7.097 9 HG SER 2 HG SER 2 -16.861 -12.191 5.451 10 H SER 3 H SER 3 -13.959 -8.537 5.406 11 HA SER 3 HA SER 3 -12.650 -8.665 2.864 12 1HB SER 3 2HB SER 3 -15.545 -7.756 2.945 13 HG SER 3 HG SER 3 -14.516 -10.114 2.459 14 H GLY 4 H GLY 4 -11.550 -6.845 2.511 15 1HA GLY 4 1HA GLY 4 -11.464 -4.896 4.592 16 2HA GLY 4 2HA GLY 4 -10.481 -4.911 3.139 17 H LYS 5 H LYS 5 -10.634 -2.956 2.338 18 HA LYS 5 HA LYS 5 -12.916 -2.095 0.985 19 1HB LYS 5 2HB LYS 5 -13.353 0.025 2.292 20 1HG LYS 5 2HG LYS 5 -12.046 -1.458 4.554 21 1HD LYS 5 2HD LYS 5 -12.549 0.566 5.828 22 1HE LYS 5 2HE LYS 5 -14.973 -0.614 4.475 23 1HZ LYS 5 1HZ LYS 5 -14.808 0.690 7.135 24 2HZ LYS 5 2HZ LYS 5 -16.200 0.106 6.360 25 3HZ LYS 5 3HZ LYS 5 -15.391 1.463 5.744 26 H ARG 6 H ARG 6 -12.541 0.544 0.707 27 HA ARG 6 HA ARG 6 -10.337 0.476 -1.031 28 1HB ARG 6 2HB ARG 6 -12.422 1.495 -1.641 29 1HG ARG 6 2HG ARG 6 -11.741 3.608 -2.568 30 1HD ARG 6 2HD ARG 6 -9.424 1.673 -2.610 31 HE ARG 6 HE ARG 6 -8.606 3.265 -4.017 32 1HH1 ARG 6 2HH1 ARG 6 -12.026 2.918 -4.640 33 2HH1 ARG 6 1HH1 ARG 6 -12.094 4.255 -5.748 34 1HH2 ARG 6 2HH2 ARG 6 -8.680 5.028 -5.502 35 2HH2 ARG 6 1HH2 ARG 6 -10.194 5.417 -6.274 36 HA PRO 7 HA PRO 7 -8.481 4.130 1.677 37 1HB PRO 7 2HB PRO 7 -8.756 3.831 4.347 38 1HG PRO 7 2HG PRO 7 -9.920 1.765 4.189 39 1HD PRO 7 2HD PRO 7 -11.383 1.329 2.397 40 H PHE 8 H PHE 8 -7.848 1.106 1.285 41 HA PHE 8 HA PHE 8 -5.763 0.726 3.290 42 1HB PHE 8 2HB PHE 8 -6.726 -1.045 1.043 43 HD1 PHE 8 1HD PHE 8 -6.763 -3.487 2.623 44 HD2 PHE 8 2HD PHE 8 -8.169 0.400 3.571 45 HE1 PHE 8 1HE PHE 8 -8.396 -4.470 4.159 46 HE2 PHE 8 2HE PHE 8 -9.810 -0.563 5.120 47 HZ PHE 8 HZ PHE 8 -9.931 -2.993 5.420 48 H VAL 9 H VAL 9 -5.081 2.900 1.895 49 HA VAL 9 HA VAL 9 -3.525 2.251 -0.425 50 HB VAL 9 HB VAL 9 -4.630 4.484 -0.063 51 1HG1 VAL 9 1HG1 VAL 9 -3.728 6.103 1.364 52 2HG1 VAL 9 2HG1 VAL 9 -3.821 4.634 2.342 53 3HG1 VAL 9 3HG1 VAL 9 -2.275 5.143 1.665 54 1HG2 VAL 9 1HG2 VAL 9 -3.281 5.136 -1.685 55 2HG2 VAL 9 2HG2 VAL 9 -2.013 5.476 -0.508 56 3HG2 VAL 9 3HG2 VAL 9 -2.134 3.874 -1.235 57 H CYS 10 H CYS 10 -1.355 2.003 -0.596 58 HA CYS 10 HA CYS 10 0.083 0.950 1.543 59 1HB CYS 10 2HB CYS 10 0.577 0.408 -0.765 60 H ARG 11 H ARG 11 1.396 1.781 3.020 61 HA ARG 11 HA ARG 11 1.373 4.566 3.525 62 1HB ARG 11 2HB ARG 11 2.724 4.083 5.459 63 1HG ARG 11 2HG ARG 11 3.164 1.321 4.350 64 1HD ARG 11 2HD ARG 11 3.951 2.635 6.940 65 HE ARG 11 HE ARG 11 5.527 0.816 5.571 66 1HH1 ARG 11 2HH1 ARG 11 3.892 0.911 8.657 67 2HH1 ARG 11 1HH1 ARG 11 5.143 0.045 9.496 68 1HH2 ARG 11 2HH2 ARG 11 7.203 -0.295 6.668 69 2HH2 ARG 11 1HH2 ARG 11 7.028 -0.629 8.369 70 H ILE 12 H ILE 12 3.704 2.368 2.069 71 HA ILE 12 HA ILE 12 5.857 4.248 2.167 72 HB ILE 12 HB ILE 12 5.667 1.711 0.544 73 1HG1 ILE 12 2HG1 ILE 12 5.397 1.282 2.946 74 1HG2 ILE 12 1HG2 ILE 12 7.534 3.769 0.415 75 2HG2 ILE 12 2HG2 ILE 12 8.308 2.523 1.393 76 3HG2 ILE 12 3HG2 ILE 12 7.714 2.135 -0.222 77 1HD1 ILE 12 1HD1 ILE 12 6.356 2.627 4.420 78 2HD1 ILE 12 2HD1 ILE 12 7.857 1.771 4.079 79 3HD1 ILE 12 3HD1 ILE 12 7.479 3.270 3.225 80 H CYS 13 H CYS 13 3.990 2.886 -0.566 81 HA CYS 13 HA CYS 13 4.807 5.250 -2.080 82 1HB CYS 13 2HB CYS 13 4.021 4.162 -4.119 83 H LEU 14 H LEU 14 2.024 4.172 -3.420 84 HA LEU 14 HA LEU 14 0.093 5.200 -1.600 85 1HB LEU 14 2HB LEU 14 0.830 6.870 -3.996 86 HG LEU 14 HG LEU 14 1.801 7.623 -1.853 87 1HD1 LEU 14 1HD1 LEU 14 -0.376 9.359 -3.012 88 2HD1 LEU 14 2HD1 LEU 14 0.899 9.931 -1.935 89 3HD1 LEU 14 3HD1 LEU 14 1.311 9.285 -3.524 90 1HD2 LEU 14 1HD2 LEU 14 -0.504 8.669 -0.591 91 2HD2 LEU 14 2HD2 LEU 14 -0.797 6.954 -0.891 92 3HD2 LEU 14 3HD2 LEU 14 0.625 7.460 0.023 93 H SER 15 H SER 15 0.488 2.792 -2.863 94 HA SER 15 HA SER 15 -1.454 2.635 -5.024 95 1HB SER 15 2HB SER 15 0.118 0.462 -3.616 96 HG SER 15 HG SER 15 1.596 1.677 -4.688 97 H ALA 16 H ALA 16 -3.577 2.263 -4.650 98 HA ALA 16 HA ALA 16 -4.444 1.638 -1.944 99 1HB ALA 16 1HB ALA 16 -6.586 1.782 -3.871 100 2HB ALA 16 2HB ALA 16 -6.268 2.799 -2.466 101 3HB ALA 16 3HB ALA 16 -5.509 3.173 -4.013 102 H PHE 17 H PHE 17 -5.426 -0.261 -1.321 103 HA PHE 17 HA PHE 17 -5.961 -2.289 -3.370 104 1HB PHE 17 2HB PHE 17 -4.450 -2.861 -0.808 105 HD1 PHE 17 1HD PHE 17 -3.610 -4.826 -3.598 106 HD2 PHE 17 2HD PHE 17 -2.806 -1.074 -1.753 107 HE1 PHE 17 1HE PHE 17 -1.462 -4.708 -4.781 108 HE2 PHE 17 2HE PHE 17 -0.659 -0.949 -2.949 109 HZ PHE 17 HZ PHE 17 0.014 -2.767 -4.466 110 H THR 18 H THR 18 -7.591 -3.770 -2.822 111 HA THR 18 HA THR 18 -9.630 -2.686 -1.195 112 HB THR 18 HB THR 18 -10.824 -4.844 -1.632 113 HG1 THR 18 1HG THR 18 -8.637 -5.442 -3.357 114 1HG2 THR 18 1HG2 THR 18 -10.465 -4.426 -4.299 115 2HG2 THR 18 2HG2 THR 18 -9.853 -2.914 -3.627 116 3HG2 THR 18 3HG2 THR 18 -11.497 -3.442 -3.264 117 H THR 19 H THR 19 -7.370 -5.356 -0.637 118 HA THR 19 HA THR 19 -8.453 -5.564 2.091 119 HB THR 19 HB THR 19 -7.915 -7.962 2.055 120 HG1 THR 19 1HG THR 19 -7.663 -8.651 -0.377 121 1HG2 THR 19 1HG2 THR 19 -9.624 -8.593 0.220 122 2HG2 THR 19 2HG2 THR 19 -9.797 -6.851 0.003 123 3HG2 THR 19 3HG2 THR 19 -10.160 -7.586 1.565 124 H LYS 20 H LYS 20 -7.040 -6.193 3.745 125 HA LYS 20 HA LYS 20 -4.486 -5.034 3.804 126 1HB LYS 20 2HB LYS 20 -5.469 -7.385 5.437 127 1HG LYS 20 2HG LYS 20 -6.960 -5.476 5.666 128 1HD LYS 20 2HD LYS 20 -4.478 -4.043 6.601 129 1HE LYS 20 2HE LYS 20 -5.983 -2.152 7.040 130 1HZ LYS 20 1HZ LYS 20 -6.527 -4.662 8.517 131 2HZ LYS 20 2HZ LYS 20 -7.191 -3.175 8.988 132 3HZ LYS 20 3HZ LYS 20 -5.507 -3.381 8.962 133 H ALA 21 H ALA 21 -5.641 -8.232 3.029 134 HA ALA 21 HA ALA 21 -3.293 -9.652 2.990 135 1HB ALA 21 1HB ALA 21 -4.543 -10.993 1.122 136 2HB ALA 21 2HB ALA 21 -5.161 -10.972 2.774 137 3HB ALA 21 3HB ALA 21 -5.886 -9.931 1.548 138 H ASN 22 H ASN 22 -4.754 -7.719 0.378 139 HA ASN 22 HA ASN 22 -2.715 -8.355 -1.518 140 1HB ASN 22 2HB ASN 22 -4.608 -5.998 -1.475 141 1HD2 ASN 22 1HD2 ASN 22 -6.596 -6.426 -2.061 142 2HD2 ASN 22 2HD2 ASN 22 -7.148 -7.877 -2.803 143 H CYS 23 H CYS 23 -3.192 -5.694 0.753 144 HA CYS 23 HA CYS 23 -0.993 -4.138 -0.075 145 1HB CYS 23 2HB CYS 23 -2.812 -3.285 1.366 146 HG CYS 23 HG CYS 23 -0.770 -1.517 1.390 147 H ALA 24 H ALA 24 -1.285 -6.717 2.339 148 HA ALA 24 HA ALA 24 1.283 -6.509 3.440 149 1HB ALA 24 1HB ALA 24 -0.483 -8.937 3.178 150 2HB ALA 24 2HB ALA 24 0.920 -8.803 4.238 151 3HB ALA 24 3HB ALA 24 -0.489 -7.776 4.504 152 H ARG 25 H ARG 25 0.112 -8.563 0.763 153 HA ARG 25 HA ARG 25 2.619 -9.797 0.298 154 1HB ARG 25 2HB ARG 25 1.686 -10.625 -1.770 155 1HG ARG 25 2HG ARG 25 -0.579 -8.683 -1.384 156 1HD ARG 25 2HD ARG 25 -0.156 -10.900 -3.377 157 HE ARG 25 HE ARG 25 -1.504 -8.534 -3.883 158 1HH1 ARG 25 2HH1 ARG 25 -2.386 -11.911 -3.685 159 2HH1 ARG 25 1HH1 ARG 25 -3.520 -11.827 -5.002 160 1HH2 ARG 25 2HH2 ARG 25 -2.969 -8.417 -5.624 161 2HH2 ARG 25 1HH2 ARG 25 -3.810 -9.852 -6.140 162 H HIS 26 H HIS 26 1.105 -6.884 -0.863 163 HA HIS 26 HA HIS 26 2.836 -6.160 -2.937 164 1HB HIS 26 2HB HIS 26 0.790 -4.976 -2.675 165 HD1 HIS 26 1HD HIS 26 2.430 -3.671 -4.509 166 HD2 HIS 26 2HD HIS 26 2.331 -2.221 -0.612 167 HE1 HIS 26 1HE HIS 26 3.463 -1.349 -4.567 168 H LEU 27 H LEU 27 2.968 -5.500 0.524 169 HA LEU 27 HA LEU 27 4.816 -3.551 0.648 170 1HB LEU 27 2HB LEU 27 3.556 -4.453 2.562 171 HG LEU 27 HG LEU 27 6.527 -4.362 3.134 172 1HD1 LEU 27 1HD1 LEU 27 4.765 -2.355 2.215 173 2HD1 LEU 27 2HD1 LEU 27 5.085 -2.029 3.918 174 3HD1 LEU 27 3HD1 LEU 27 6.426 -2.176 2.783 175 1HD2 LEU 27 1HD2 LEU 27 4.147 -4.710 4.814 176 2HD2 LEU 27 2HD2 LEU 27 5.838 -5.071 5.153 177 3HD2 LEU 27 3HD2 LEU 27 5.232 -3.425 5.344 178 H LYS 28 H LYS 28 5.556 -6.941 0.137 179 HA LYS 28 HA LYS 28 8.190 -7.049 0.876 180 1HB LYS 28 2HB LYS 28 8.466 -8.910 -0.683 181 1HG LYS 28 2HG LYS 28 5.776 -8.115 -1.771 182 1HD LYS 28 2HD LYS 28 7.474 -10.542 -2.331 183 1HE LYS 28 2HE LYS 28 4.795 -9.687 -3.413 184 1HZ LYS 28 1HZ LYS 28 5.168 -12.152 -2.915 185 2HZ LYS 28 2HZ LYS 28 6.266 -12.125 -4.205 186 3HZ LYS 28 3HZ LYS 28 4.638 -11.731 -4.467 187 H VAL 29 H VAL 29 6.909 -5.729 -2.133 188 HA VAL 29 HA VAL 29 9.232 -5.605 -3.638 189 HB VAL 29 HB VAL 29 8.214 -3.735 -4.871 190 1HG1 VAL 29 1HG1 VAL 29 7.481 -5.934 -5.455 191 2HG1 VAL 29 2HG1 VAL 29 6.331 -5.960 -4.119 192 3HG1 VAL 29 3HG1 VAL 29 6.079 -4.863 -5.476 193 1HG2 VAL 29 1HG2 VAL 29 5.715 -3.339 -3.886 194 2HG2 VAL 29 2HG2 VAL 29 6.654 -3.485 -2.395 195 3HG2 VAL 29 3HG2 VAL 29 7.085 -2.265 -3.598 196 H HIS 30 H HIS 30 8.106 -3.328 -1.177 197 HA HIS 30 HA HIS 30 10.129 -1.402 -1.753 198 1HB HIS 30 2HB HIS 30 8.337 -1.686 0.668 199 HD1 HIS 30 1HD HIS 30 8.715 0.655 -2.361 200 HD2 HIS 30 2HD HIS 30 5.827 -1.150 0.034 201 HE1 HIS 30 1HE HIS 30 6.456 1.496 -3.177 202 H THR 31 H THR 31 9.741 -3.981 0.588 203 HA THR 31 HA THR 31 12.329 -3.335 1.769 204 HB THR 31 HB THR 31 10.372 -5.480 2.629 205 HG1 THR 31 1HG THR 31 9.173 -3.733 2.998 206 1HG2 THR 31 1HG2 THR 31 12.492 -5.792 3.668 207 2HG2 THR 31 2HG2 THR 31 11.451 -5.019 4.863 208 3HG2 THR 31 3HG2 THR 31 12.660 -4.067 3.997 209 H ASP 32 H ASP 32 12.005 -4.392 -0.927 210 HA ASP 32 HA ASP 32 13.027 -5.782 -2.370 211 1HB ASP 32 2HB ASP 32 14.555 -6.472 0.101 212 H THR 33 H THR 33 12.418 -7.560 0.658 213 HA THR 33 HA THR 33 10.697 -9.420 -0.679 214 HB THR 33 HB THR 33 12.805 -10.452 -1.310 215 HG1 THR 33 1HG THR 33 12.040 -12.373 -0.816 216 1HG2 THR 33 1HG2 THR 33 13.465 -10.590 1.632 217 2HG2 THR 33 2HG2 THR 33 14.195 -9.463 0.490 218 3HG2 THR 33 3HG2 THR 33 14.447 -11.199 0.298 219 H LEU 34 H LEU 34 9.344 -10.411 0.768 220 HA LEU 34 HA LEU 34 9.875 -10.203 3.634 221 1HB LEU 34 2HB LEU 34 7.523 -8.928 2.235 222 HG LEU 34 HG LEU 34 9.541 -7.469 2.421 223 1HD1 LEU 34 1HD1 LEU 34 7.732 -6.114 2.299 224 2HD1 LEU 34 2HD1 LEU 34 6.914 -6.907 3.650 225 3HD1 LEU 34 3HD1 LEU 34 8.203 -5.744 3.961 226 1HD2 LEU 34 1HD2 LEU 34 10.432 -8.443 4.502 227 2HD2 LEU 34 2HD2 LEU 34 10.236 -6.694 4.617 228 3HD2 LEU 34 3HD2 LEU 34 9.064 -7.763 5.387 229 H SER 35 H SER 35 7.686 -11.234 1.061 230 HA SER 35 HA SER 35 7.417 -13.819 2.232 231 1HB SER 35 2HB SER 35 4.912 -13.708 2.379 232 HG SER 35 HG SER 35 5.022 -10.939 2.612 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -10.597 -7.342 11.709 2 2H GLY 1 2H GLY 1 -11.250 -8.887 11.473 3 3H GLY 1 3H GLY 1 -12.111 -7.521 10.962 4 1HA GLY 1 2HA GLY 1 -9.581 -7.435 9.771 5 2HA GLY 1 1HA GLY 1 -10.236 -9.046 9.539 6 H SER 2 H SER 2 -11.880 -5.903 9.711 7 HA SER 2 HA SER 2 -13.478 -6.473 7.410 8 1HB SER 2 2HB SER 2 -13.012 -3.853 8.872 9 HG SER 2 HG SER 2 -15.396 -5.248 9.117 10 H SER 3 H SER 3 -13.152 -5.913 5.325 11 HA SER 3 HA SER 3 -11.179 -3.965 4.560 12 1HB SER 3 2HB SER 3 -9.764 -5.594 3.310 13 HG SER 3 HG SER 3 -11.419 -7.466 4.661 14 H GLY 4 H GLY 4 -10.960 -5.538 1.888 15 1HA GLY 4 1HA GLY 4 -12.050 -5.461 -0.133 16 2HA GLY 4 2HA GLY 4 -13.533 -5.776 0.763 17 H LYS 5 H LYS 5 -11.265 -3.064 0.891 18 HA LYS 5 HA LYS 5 -13.280 -1.175 -0.042 19 1HB LYS 5 2HB LYS 5 -13.714 -1.813 2.384 20 1HG LYS 5 2HG LYS 5 -12.996 1.092 2.117 21 1HD LYS 5 2HD LYS 5 -15.013 -0.396 3.796 22 1HE LYS 5 2HE LYS 5 -15.761 1.857 3.080 23 1HZ LYS 5 1HZ LYS 5 -13.315 2.724 4.512 24 2HZ LYS 5 2HZ LYS 5 -14.614 3.754 4.157 25 3HZ LYS 5 3HZ LYS 5 -13.731 3.042 2.896 26 H ARG 6 H ARG 6 -12.376 0.723 -0.717 27 HA ARG 6 HA ARG 6 -9.740 0.413 -1.579 28 1HB ARG 6 2HB ARG 6 -11.606 2.739 -1.903 29 1HG ARG 6 2HG ARG 6 -12.416 0.629 -2.892 30 1HD ARG 6 2HD ARG 6 -10.233 -0.414 -3.338 31 HE ARG 6 HE ARG 6 -9.594 1.908 -4.731 32 1HH1 ARG 6 2HH1 ARG 6 -9.414 -1.563 -5.217 33 2HH1 ARG 6 1HH1 ARG 6 -8.044 -1.473 -6.277 34 1HH2 ARG 6 2HH2 ARG 6 -7.805 2.030 -6.138 35 2HH2 ARG 6 1HH2 ARG 6 -7.139 0.575 -6.820 36 HA PRO 7 HA PRO 7 -8.641 4.310 1.187 37 1HB PRO 7 2HB PRO 7 -8.963 3.797 3.821 38 1HG PRO 7 2HG PRO 7 -9.993 1.702 3.587 39 1HD PRO 7 2HD PRO 7 -11.149 1.121 1.650 40 H PHE 8 H PHE 8 -8.039 1.024 1.274 41 HA PHE 8 HA PHE 8 -5.840 0.987 3.099 42 1HB PHE 8 2HB PHE 8 -6.684 -0.992 0.985 43 HD1 PHE 8 1HD PHE 8 -8.406 0.497 3.202 44 HD2 PHE 8 2HD PHE 8 -6.487 -3.276 2.883 45 HE1 PHE 8 1HE PHE 8 -10.073 -0.476 4.727 46 HE2 PHE 8 2HE PHE 8 -8.131 -4.259 4.402 47 HZ PHE 8 HZ PHE 8 -9.927 -2.856 5.340 48 H VAL 9 H VAL 9 -5.147 3.048 1.659 49 HA VAL 9 HA VAL 9 -3.610 2.354 -0.669 50 HB VAL 9 HB VAL 9 -4.672 4.614 -0.307 51 1HG1 VAL 9 1HG1 VAL 9 -4.071 4.912 2.039 52 2HG1 VAL 9 2HG1 VAL 9 -2.365 5.014 1.588 53 3HG1 VAL 9 3HG1 VAL 9 -3.497 6.255 1.047 54 1HG2 VAL 9 1HG2 VAL 9 -3.269 5.436 -1.820 55 2HG2 VAL 9 2HG2 VAL 9 -1.897 5.369 -0.713 56 3HG2 VAL 9 3HG2 VAL 9 -2.361 3.935 -1.629 57 H CYS 10 H CYS 10 -1.440 2.042 -0.801 58 HA CYS 10 HA CYS 10 -0.162 0.820 1.296 59 1HB CYS 10 2HB CYS 10 0.506 0.490 -1.011 60 H ARG 11 H ARG 11 0.978 1.428 2.940 61 HA ARG 11 HA ARG 11 1.123 4.140 3.706 62 1HB ARG 11 2HB ARG 11 2.441 3.251 5.645 63 1HG ARG 11 2HG ARG 11 1.957 0.594 4.319 64 1HD ARG 11 2HD ARG 11 1.392 0.552 6.715 65 HE ARG 11 HE ARG 11 2.657 1.912 8.040 66 1HH1 ARG 11 2HH1 ARG 11 4.792 -0.012 6.052 67 2HH1 ARG 11 1HH1 ARG 11 6.246 0.711 6.670 68 1HH2 ARG 11 2HH2 ARG 11 4.578 2.871 8.865 69 2HH2 ARG 11 1HH2 ARG 11 6.116 2.348 8.255 70 H ILE 12 H ILE 12 3.339 1.969 2.085 71 HA ILE 12 HA ILE 12 5.580 3.762 2.486 72 HB ILE 12 HB ILE 12 5.457 1.371 0.651 73 1HG1 ILE 12 2HG1 ILE 12 5.004 0.713 2.970 74 1HG2 ILE 12 1HG2 ILE 12 7.510 3.348 1.358 75 2HG2 ILE 12 2HG2 ILE 12 8.041 1.668 1.455 76 3HG2 ILE 12 3HG2 ILE 12 7.382 2.299 -0.055 77 1HD1 ILE 12 1HD1 ILE 12 6.751 2.762 3.688 78 2HD1 ILE 12 2HD1 ILE 12 5.954 1.598 4.747 79 3HD1 ILE 12 3HD1 ILE 12 7.569 1.259 4.120 80 H CYS 13 H CYS 13 3.741 2.634 -0.399 81 HA CYS 13 HA CYS 13 4.695 5.079 -1.703 82 1HB CYS 13 2HB CYS 13 4.100 4.132 -3.872 83 H LEU 14 H LEU 14 2.098 4.090 -3.405 84 HA LEU 14 HA LEU 14 0.014 5.162 -1.737 85 1HB LEU 14 2HB LEU 14 0.957 6.671 -4.173 86 HG LEU 14 HG LEU 14 1.906 7.460 -2.021 87 1HD1 LEU 14 1HD1 LEU 14 0.795 8.930 -4.054 88 2HD1 LEU 14 2HD1 LEU 14 0.084 9.656 -2.613 89 3HD1 LEU 14 3HD1 LEU 14 1.837 9.559 -2.780 90 1HD2 LEU 14 1HD2 LEU 14 -0.712 8.518 -1.153 91 2HD2 LEU 14 2HD2 LEU 14 -0.447 6.790 -0.910 92 3HD2 LEU 14 3HD2 LEU 14 0.663 7.963 -0.199 93 H SER 15 H SER 15 0.491 2.674 -2.951 94 HA SER 15 HA SER 15 -1.455 2.503 -5.125 95 1HB SER 15 2HB SER 15 0.098 0.333 -3.687 96 HG SER 15 HG SER 15 1.528 1.595 -4.858 97 H ALA 16 H ALA 16 -3.585 2.291 -4.633 98 HA ALA 16 HA ALA 16 -4.335 1.651 -1.895 99 1HB ALA 16 1HB ALA 16 -6.479 2.086 -3.860 100 2HB ALA 16 2HB ALA 16 -6.243 2.783 -2.255 101 3HB ALA 16 3HB ALA 16 -5.368 3.437 -3.641 102 H PHE 17 H PHE 17 -5.296 -0.205 -1.239 103 HA PHE 17 HA PHE 17 -6.013 -2.188 -3.298 104 1HB PHE 17 2HB PHE 17 -4.617 -2.783 -0.679 105 HD1 PHE 17 1HD PHE 17 -2.885 -1.064 -1.617 106 HD2 PHE 17 2HD PHE 17 -3.752 -4.825 -3.398 107 HE1 PHE 17 1HE PHE 17 -0.722 -1.010 -2.781 108 HE2 PHE 17 2HE PHE 17 -1.589 -4.778 -4.561 109 HZ PHE 17 HZ PHE 17 -0.068 -2.870 -4.253 110 H THR 18 H THR 18 -7.631 -3.738 -2.623 111 HA THR 18 HA THR 18 -9.679 -2.507 -1.042 112 HB THR 18 HB THR 18 -10.908 -4.657 -1.402 113 HG1 THR 18 1HG THR 18 -9.267 -5.559 -3.381 114 1HG2 THR 18 1HG2 THR 18 -11.509 -4.125 -3.587 115 2HG2 THR 18 2HG2 THR 18 -9.867 -3.658 -4.031 116 3HG2 THR 18 3HG2 THR 18 -10.828 -2.611 -2.988 117 H THR 19 H THR 19 -7.566 -5.307 -0.602 118 HA THR 19 HA THR 19 -8.440 -5.439 2.203 119 HB THR 19 HB THR 19 -7.843 -7.808 2.185 120 HG1 THR 19 1HG THR 19 -7.561 -8.415 -0.330 121 1HG2 THR 19 1HG2 THR 19 -10.083 -7.637 1.650 122 2HG2 THR 19 2HG2 THR 19 -9.470 -8.515 0.248 123 3HG2 THR 19 3HG2 THR 19 -9.762 -6.779 0.139 124 H LYS 20 H LYS 20 -6.913 -5.757 3.801 125 HA LYS 20 HA LYS 20 -4.368 -4.603 3.520 126 1HB LYS 20 2HB LYS 20 -5.495 -6.475 5.596 127 1HG LYS 20 2HG LYS 20 -4.797 -3.581 5.645 128 1HD LYS 20 2HD LYS 20 -6.007 -5.333 7.777 129 1HE LYS 20 2HE LYS 20 -5.381 -2.382 7.780 130 1HZ LYS 20 1HZ LYS 20 -4.978 -3.283 9.938 131 2HZ LYS 20 2HZ LYS 20 -6.432 -4.151 9.919 132 3HZ LYS 20 3HZ LYS 20 -6.461 -2.458 9.982 133 H ALA 21 H ALA 21 -5.587 -7.834 3.228 134 HA ALA 21 HA ALA 21 -3.254 -9.259 3.349 135 1HB ALA 21 1HB ALA 21 -4.619 -10.753 1.582 136 2HB ALA 21 2HB ALA 21 -5.013 -10.691 3.301 137 3HB ALA 21 3HB ALA 21 -5.919 -9.702 2.152 138 H ASN 22 H ASN 22 -4.691 -7.609 0.550 139 HA ASN 22 HA ASN 22 -2.727 -8.484 -1.330 140 1HB ASN 22 2HB ASN 22 -4.517 -6.051 -1.375 141 1HD2 ASN 22 1HD2 ASN 22 -6.505 -6.449 -1.984 142 2HD2 ASN 22 2HD2 ASN 22 -7.065 -7.882 -2.771 143 H CYS 23 H CYS 23 -3.008 -5.623 0.727 144 HA CYS 23 HA CYS 23 -0.753 -4.262 -0.225 145 1HB CYS 23 2HB CYS 23 -2.485 -3.243 1.211 146 HG CYS 23 HG CYS 23 -0.705 -1.361 1.352 147 H ALA 24 H ALA 24 -1.110 -6.744 2.253 148 HA ALA 24 HA ALA 24 1.451 -6.623 3.368 149 1HB ALA 24 1HB ALA 24 1.017 -8.954 4.097 150 2HB ALA 24 2HB ALA 24 -0.290 -7.829 4.467 151 3HB ALA 24 3HB ALA 24 -0.443 -8.945 3.108 152 H ARG 25 H ARG 25 0.273 -8.637 0.650 153 HA ARG 25 HA ARG 25 2.825 -9.844 0.231 154 1HB ARG 25 2HB ARG 25 1.929 -10.702 -1.866 155 1HG ARG 25 2HG ARG 25 -0.533 -9.063 -1.333 156 1HD ARG 25 2HD ARG 25 0.149 -11.010 -3.531 157 HE ARG 25 HE ARG 25 -1.680 -8.888 -3.617 158 1HH1 ARG 25 2HH1 ARG 25 -1.582 -12.342 -4.251 159 2HH1 ARG 25 1HH1 ARG 25 -2.824 -12.273 -5.467 160 1HH2 ARG 25 2HH2 ARG 25 -3.321 -8.812 -5.170 161 2HH2 ARG 25 1HH2 ARG 25 -3.847 -10.270 -5.961 162 H HIS 26 H HIS 26 1.210 -7.013 -0.979 163 HA HIS 26 HA HIS 26 2.920 -6.235 -3.062 164 1HB HIS 26 2HB HIS 26 0.843 -5.108 -2.796 165 HD1 HIS 26 1HD HIS 26 2.364 -3.687 -4.610 166 HD2 HIS 26 2HD HIS 26 2.331 -2.359 -0.673 167 HE1 HIS 26 1HE HIS 26 3.386 -1.356 -4.617 168 H LEU 27 H LEU 27 3.034 -5.631 0.401 169 HA LEU 27 HA LEU 27 4.768 -3.608 0.601 170 1HB LEU 27 2HB LEU 27 3.561 -4.653 2.464 171 HG LEU 27 HG LEU 27 6.512 -4.439 3.057 172 1HD1 LEU 27 1HD1 LEU 27 6.295 -2.225 2.986 173 2HD1 LEU 27 2HD1 LEU 27 4.743 -2.481 2.190 174 3HD1 LEU 27 3HD1 LEU 27 4.813 -2.272 3.940 175 1HD2 LEU 27 1HD2 LEU 27 4.754 -5.602 4.673 176 2HD2 LEU 27 2HD2 LEU 27 6.041 -4.558 5.280 177 3HD2 LEU 27 3HD2 LEU 27 4.409 -3.921 5.078 178 H LYS 28 H LYS 28 5.766 -6.970 0.151 179 HA LYS 28 HA LYS 28 8.395 -6.803 0.886 180 1HB LYS 28 2HB LYS 28 8.843 -8.747 -0.493 181 1HG LYS 28 2HG LYS 28 6.143 -8.337 -1.751 182 1HD LYS 28 2HD LYS 28 8.270 -10.445 -2.098 183 1HE LYS 28 2HE LYS 28 5.647 -10.140 -3.545 184 1HZ LYS 28 1HZ LYS 28 6.249 -12.440 -3.197 185 2HZ LYS 28 2HZ LYS 28 7.811 -12.160 -3.796 186 3HZ LYS 28 3HZ LYS 28 6.474 -12.035 -4.830 187 H VAL 29 H VAL 29 6.998 -5.628 -2.096 188 HA VAL 29 HA VAL 29 9.261 -5.476 -3.698 189 HB VAL 29 HB VAL 29 8.167 -3.744 -4.986 190 1HG1 VAL 29 1HG1 VAL 29 6.825 -6.185 -4.160 191 2HG1 VAL 29 2HG1 VAL 29 5.717 -4.973 -4.806 192 3HG1 VAL 29 3HG1 VAL 29 7.086 -5.523 -5.774 193 1HG2 VAL 29 1HG2 VAL 29 5.885 -3.579 -3.071 194 2HG2 VAL 29 2HG2 VAL 29 7.315 -2.581 -2.810 195 3HG2 VAL 29 3HG2 VAL 29 6.400 -2.435 -4.310 196 H HIS 30 H HIS 30 8.207 -3.334 -1.128 197 HA HIS 30 HA HIS 30 10.070 -1.256 -1.758 198 1HB HIS 30 2HB HIS 30 8.359 -1.737 0.683 199 HD1 HIS 30 1HD HIS 30 8.656 0.864 -2.133 200 HD2 HIS 30 2HD HIS 30 5.821 -1.330 -0.012 201 HE1 HIS 30 1HE HIS 30 6.389 1.544 -3.037 202 H THR 31 H THR 31 11.448 -3.622 -1.567 203 HA THR 31 HA THR 31 13.648 -2.818 -0.153 204 HB THR 31 HB THR 31 12.523 -3.279 1.933 205 HG1 THR 31 1HG THR 31 14.805 -3.891 1.627 206 1HG2 THR 31 1HG2 THR 31 10.984 -5.060 0.902 207 2HG2 THR 31 2HG2 THR 31 11.536 -5.307 2.559 208 3HG2 THR 31 3HG2 THR 31 12.296 -6.190 1.235 209 H ASP 32 H ASP 32 11.921 -5.859 -0.959 210 HA ASP 32 HA ASP 32 14.432 -6.962 -1.972 211 1HB ASP 32 2HB ASP 32 12.879 -8.359 -0.574 212 H THR 33 H THR 33 13.226 -4.710 -3.251 213 HA THR 33 HA THR 33 13.419 -5.585 -5.957 214 HB THR 33 HB THR 33 10.789 -4.286 -5.139 215 HG1 THR 33 1HG THR 33 11.546 -6.905 -5.161 216 1HG2 THR 33 1HG2 THR 33 11.653 -3.789 -7.430 217 2HG2 THR 33 2HG2 THR 33 10.109 -4.643 -7.418 218 3HG2 THR 33 3HG2 THR 33 11.600 -5.515 -7.774 219 H LEU 34 H LEU 34 14.806 -4.039 -4.139 220 HA LEU 34 HA LEU 34 15.087 -1.508 -5.500 221 1HB LEU 34 2HB LEU 34 14.262 -1.648 -2.590 222 HG LEU 34 HG LEU 34 12.331 -1.464 -4.154 223 1HD1 LEU 34 1HD1 LEU 34 13.038 0.766 -2.281 224 2HD1 LEU 34 2HD1 LEU 34 11.485 0.729 -3.118 225 3HD1 LEU 34 3HD1 LEU 34 11.934 -0.585 -2.030 226 1HD2 LEU 34 1HD2 LEU 34 13.741 1.081 -4.951 227 2HD2 LEU 34 2HD2 LEU 34 13.323 -0.281 -5.990 228 3HD2 LEU 34 3HD2 LEU 34 12.050 0.732 -5.310 229 H SER 35 H SER 35 16.740 -3.601 -5.465 230 HA SER 35 HA SER 35 19.067 -2.694 -4.018 231 1HB SER 35 2HB SER 35 19.344 -4.941 -2.915 232 HG SER 35 HG SER 35 17.564 -6.276 -2.766 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -7.603 -12.750 7.873 2 2H GLY 1 2H GLY 1 -7.628 -11.220 8.594 3 3H GLY 1 3H GLY 1 -7.455 -11.361 6.912 4 1HA GLY 1 2HA GLY 1 -9.693 -12.466 6.886 5 2HA GLY 1 1HA GLY 1 -9.851 -11.931 8.552 6 H SER 2 H SER 2 -8.496 -10.325 5.667 7 HA SER 2 HA SER 2 -9.608 -7.822 6.362 8 1HB SER 2 2HB SER 2 -8.573 -8.789 3.687 9 HG SER 2 HG SER 2 -7.316 -8.183 6.013 10 H SER 3 H SER 3 -11.555 -6.998 6.036 11 HA SER 3 HA SER 3 -13.616 -8.452 4.682 12 1HB SER 3 2HB SER 3 -13.626 -5.616 5.739 13 HG SER 3 HG SER 3 -13.988 -8.123 6.929 14 H GLY 4 H GLY 4 -11.337 -6.059 3.857 15 1HA GLY 4 1HA GLY 4 -10.778 -5.235 1.747 16 2HA GLY 4 2HA GLY 4 -12.247 -5.951 1.100 17 H LYS 5 H LYS 5 -10.816 -3.152 1.431 18 HA LYS 5 HA LYS 5 -13.138 -1.544 1.155 19 1HB LYS 5 2HB LYS 5 -12.863 -2.061 3.701 20 1HG LYS 5 2HG LYS 5 -12.979 0.820 2.839 21 1HD LYS 5 2HD LYS 5 -13.798 -0.592 5.364 22 1HE LYS 5 2HE LYS 5 -15.491 1.060 4.731 23 1HZ LYS 5 1HZ LYS 5 -14.939 3.372 4.551 24 2HZ LYS 5 2HZ LYS 5 -14.074 2.512 3.374 25 3HZ LYS 5 3HZ LYS 5 -13.291 3.058 4.778 26 H ARG 6 H ARG 6 -12.488 0.488 0.293 27 HA ARG 6 HA ARG 6 -10.048 0.249 -1.044 28 1HB ARG 6 2HB ARG 6 -12.077 2.440 -1.076 29 1HG ARG 6 2HG ARG 6 -12.880 0.425 -2.088 30 1HD ARG 6 2HD ARG 6 -10.882 -0.817 -2.494 31 HE ARG 6 HE ARG 6 -9.063 0.225 -3.339 32 1HH1 ARG 6 2HH1 ARG 6 -11.831 1.500 -5.076 33 2HH1 ARG 6 1HH1 ARG 6 -10.873 2.580 -6.046 34 1HH2 ARG 6 2HH2 ARG 6 -7.821 1.623 -4.631 35 2HH2 ARG 6 1HH2 ARG 6 -8.597 2.654 -5.790 36 HA PRO 7 HA PRO 7 -8.526 4.197 1.389 37 1HB PRO 7 2HB PRO 7 -8.718 3.948 4.066 38 1HG PRO 7 2HG PRO 7 -9.815 1.854 4.037 39 1HD PRO 7 2HD PRO 7 -11.213 1.236 2.264 40 H PHE 8 H PHE 8 -8.011 0.989 1.444 41 HA PHE 8 HA PHE 8 -5.780 0.804 3.246 42 1HB PHE 8 2HB PHE 8 -6.796 -1.083 1.116 43 HD1 PHE 8 1HD PHE 8 -8.265 0.472 3.553 44 HD2 PHE 8 2HD PHE 8 -6.778 -3.441 2.836 45 HE1 PHE 8 1HE PHE 8 -9.932 -0.442 5.111 46 HE2 PHE 8 2HE PHE 8 -8.432 -4.372 4.383 47 HZ PHE 8 HZ PHE 8 -10.013 -2.861 5.533 48 H VAL 9 H VAL 9 -5.130 2.883 1.769 49 HA VAL 9 HA VAL 9 -3.659 2.180 -0.599 50 HB VAL 9 HB VAL 9 -4.709 4.436 -0.219 51 1HG1 VAL 9 1HG1 VAL 9 -3.320 4.350 2.171 52 2HG1 VAL 9 2HG1 VAL 9 -2.443 5.534 1.202 53 3HG1 VAL 9 3HG1 VAL 9 -4.170 5.742 1.495 54 1HG2 VAL 9 1HG2 VAL 9 -2.939 3.989 -1.915 55 2HG2 VAL 9 2HG2 VAL 9 -3.000 5.660 -1.350 56 3HG2 VAL 9 3HG2 VAL 9 -1.750 4.572 -0.749 57 H CYS 10 H CYS 10 -1.464 1.944 -0.807 58 HA CYS 10 HA CYS 10 -0.087 0.769 1.272 59 1HB CYS 10 2HB CYS 10 0.532 0.382 -1.022 60 H ARG 11 H ARG 11 1.128 1.428 2.845 61 HA ARG 11 HA ARG 11 1.148 4.122 3.652 62 1HB ARG 11 2HB ARG 11 2.515 3.340 5.532 63 1HG ARG 11 2HG ARG 11 2.601 0.686 4.116 64 1HD ARG 11 2HD ARG 11 3.996 0.030 6.062 65 HE ARG 11 HE ARG 11 1.579 0.625 7.440 66 1HH1 ARG 11 2HH1 ARG 11 2.898 -1.283 4.814 67 2HH1 ARG 11 1HH1 ARG 11 1.595 -2.428 4.812 68 1HH2 ARG 11 2HH2 ARG 11 -0.147 -0.866 7.439 69 2HH2 ARG 11 1HH2 ARG 11 -0.152 -2.178 6.293 70 H ILE 12 H ILE 12 3.544 2.052 2.096 71 HA ILE 12 HA ILE 12 5.645 3.975 2.442 72 HB ILE 12 HB ILE 12 5.651 1.521 0.684 73 1HG1 ILE 12 2HG1 ILE 12 5.164 0.914 3.010 74 1HG2 ILE 12 1HG2 ILE 12 7.507 2.629 -0.019 75 2HG2 ILE 12 2HG2 ILE 12 7.683 3.523 1.493 76 3HG2 ILE 12 3HG2 ILE 12 8.194 1.837 1.401 77 1HD1 ILE 12 1HD1 ILE 12 7.601 1.502 4.300 78 2HD1 ILE 12 2HD1 ILE 12 6.942 3.014 3.669 79 3HD1 ILE 12 3HD1 ILE 12 5.967 2.007 4.742 80 H CYS 13 H CYS 13 3.874 2.747 -0.433 81 HA CYS 13 HA CYS 13 4.759 5.202 -1.760 82 1HB CYS 13 2HB CYS 13 4.189 4.252 -3.922 83 H LEU 14 H LEU 14 2.125 4.127 -3.400 84 HA LEU 14 HA LEU 14 0.064 5.134 -1.667 85 1HB LEU 14 2HB LEU 14 0.919 6.745 -4.068 86 HG LEU 14 HG LEU 14 1.872 7.504 -1.915 87 1HD1 LEU 14 1HD1 LEU 14 1.698 9.296 -3.322 88 2HD1 LEU 14 2HD1 LEU 14 -0.046 9.120 -3.508 89 3HD1 LEU 14 3HD1 LEU 14 0.616 9.828 -2.034 90 1HD2 LEU 14 1HD2 LEU 14 -0.533 8.606 -0.803 91 2HD2 LEU 14 2HD2 LEU 14 -0.685 6.853 -0.944 92 3HD2 LEU 14 3HD2 LEU 14 0.665 7.555 -0.048 93 H SER 15 H SER 15 0.529 2.685 -2.977 94 HA SER 15 HA SER 15 -1.468 2.597 -5.114 95 1HB SER 15 2HB SER 15 0.141 0.345 -3.874 96 HG SER 15 HG SER 15 1.638 1.581 -4.853 97 H ALA 16 H ALA 16 -3.585 2.298 -4.572 98 HA ALA 16 HA ALA 16 -4.200 1.462 -1.850 99 1HB ALA 16 1HB ALA 16 -6.479 1.932 -3.616 100 2HB ALA 16 2HB ALA 16 -6.096 2.630 -2.039 101 3HB ALA 16 3HB ALA 16 -5.370 3.300 -3.501 102 H PHE 17 H PHE 17 -4.896 -0.498 -1.274 103 HA PHE 17 HA PHE 17 -5.793 -2.335 -3.403 104 1HB PHE 17 2HB PHE 17 -4.269 -3.095 -0.889 105 HD1 PHE 17 1HD PHE 17 -2.673 -1.209 -1.897 106 HD2 PHE 17 2HD PHE 17 -3.412 -5.010 -3.664 107 HE1 PHE 17 1HE PHE 17 -0.572 -1.032 -3.157 108 HE2 PHE 17 2HE PHE 17 -1.308 -4.836 -4.924 109 HZ PHE 17 HZ PHE 17 0.116 -2.841 -4.668 110 H THR 18 H THR 18 -7.470 -3.812 -2.811 111 HA THR 18 HA THR 18 -9.418 -2.605 -1.160 112 HB THR 18 HB THR 18 -10.729 -4.685 -1.505 113 HG1 THR 18 1HG THR 18 -9.857 -6.353 -2.681 114 1HG2 THR 18 1HG2 THR 18 -9.503 -3.760 -4.098 115 2HG2 THR 18 2HG2 THR 18 -10.596 -2.748 -3.151 116 3HG2 THR 18 3HG2 THR 18 -11.158 -4.290 -3.799 117 H THR 19 H THR 19 -7.390 -5.478 -0.645 118 HA THR 19 HA THR 19 -8.367 -5.537 2.123 119 HB THR 19 HB THR 19 -7.585 -7.866 2.211 120 HG1 THR 19 1HG THR 19 -7.281 -8.183 -0.490 121 1HG2 THR 19 1HG2 THR 19 -9.146 -8.670 0.220 122 2HG2 THR 19 2HG2 THR 19 -9.581 -6.960 0.203 123 3HG2 THR 19 3HG2 THR 19 -9.806 -7.914 1.671 124 H LYS 20 H LYS 20 -6.952 -5.826 3.835 125 HA LYS 20 HA LYS 20 -4.427 -4.571 3.789 126 1HB LYS 20 2HB LYS 20 -5.602 -6.610 5.684 127 1HG LYS 20 2HG LYS 20 -5.133 -3.679 5.951 128 1HD LYS 20 2HD LYS 20 -6.380 -5.642 7.868 129 1HE LYS 20 2HE LYS 20 -5.980 -2.663 8.088 130 1HZ LYS 20 1HZ LYS 20 -6.423 -2.805 10.256 131 2HZ LYS 20 2HZ LYS 20 -5.963 -4.432 10.133 132 3HZ LYS 20 3HZ LYS 20 -7.604 -4.005 10.052 133 H ALA 21 H ALA 21 -5.565 -7.793 3.320 134 HA ALA 21 HA ALA 21 -3.194 -9.179 3.442 135 1HB ALA 21 1HB ALA 21 -4.689 -10.819 3.246 136 2HB ALA 21 2HB ALA 21 -5.908 -9.679 2.668 137 3HB ALA 21 3HB ALA 21 -4.813 -10.460 1.523 138 H ASN 22 H ASN 22 -4.748 -7.579 0.648 139 HA ASN 22 HA ASN 22 -2.773 -8.406 -1.238 140 1HB ASN 22 2HB ASN 22 -4.685 -6.068 -1.332 141 1HD2 ASN 22 1HD2 ASN 22 -6.619 -6.528 -2.138 142 2HD2 ASN 22 2HD2 ASN 22 -7.086 -8.048 -2.821 143 H CYS 23 H CYS 23 -3.096 -5.569 0.839 144 HA CYS 23 HA CYS 23 -0.896 -4.124 -0.153 145 1HB CYS 23 2HB CYS 23 -2.576 -3.148 1.356 146 HG CYS 23 HG CYS 23 -1.003 -1.205 1.879 147 H ALA 24 H ALA 24 -1.159 -6.660 2.282 148 HA ALA 24 HA ALA 24 1.453 -6.586 3.279 149 1HB ALA 24 1HB ALA 24 -0.805 -8.410 3.376 150 2HB ALA 24 2HB ALA 24 0.749 -9.243 3.412 151 3HB ALA 24 3HB ALA 24 0.384 -8.008 4.616 152 H ARG 25 H ARG 25 0.124 -8.520 0.565 153 HA ARG 25 HA ARG 25 2.603 -9.794 0.031 154 1HB ARG 25 2HB ARG 25 1.635 -10.587 -2.038 155 1HG ARG 25 2HG ARG 25 -0.708 -8.770 -1.540 156 1HD ARG 25 2HD ARG 25 -0.105 -10.758 -3.727 157 HE ARG 25 HE ARG 25 -1.764 -8.502 -3.871 158 1HH1 ARG 25 2HH1 ARG 25 -1.882 -11.949 -4.530 159 2HH1 ARG 25 1HH1 ARG 25 -3.088 -11.784 -5.775 160 1HH2 ARG 25 2HH2 ARG 25 -3.316 -8.293 -5.537 161 2HH2 ARG 25 1HH2 ARG 25 -3.871 -9.719 -6.364 162 H HIS 26 H HIS 26 1.102 -6.857 -1.127 163 HA HIS 26 HA HIS 26 2.884 -6.163 -3.190 164 1HB HIS 26 2HB HIS 26 0.849 -4.961 -3.022 165 HD1 HIS 26 1HD HIS 26 2.595 -3.611 -4.744 166 HD2 HIS 26 2HD HIS 26 2.251 -2.242 -0.827 167 HE1 HIS 26 1HE HIS 26 3.638 -1.285 -4.680 168 H LEU 27 H LEU 27 2.913 -5.505 0.263 169 HA LEU 27 HA LEU 27 4.724 -3.544 0.478 170 1HB LEU 27 2HB LEU 27 3.425 -4.507 2.324 171 HG LEU 27 HG LEU 27 6.368 -4.395 2.998 172 1HD1 LEU 27 1HD1 LEU 27 4.371 -2.350 2.380 173 2HD1 LEU 27 2HD1 LEU 27 5.217 -2.089 3.906 174 3HD1 LEU 27 3HD1 LEU 27 6.130 -2.246 2.405 175 1HD2 LEU 27 1HD2 LEU 27 5.754 -4.171 5.251 176 2HD2 LEU 27 2HD2 LEU 27 4.054 -3.923 4.851 177 3HD2 LEU 27 3HD2 LEU 27 4.785 -5.516 4.649 178 H LYS 28 H LYS 28 5.557 -6.916 -0.064 179 HA LYS 28 HA LYS 28 8.214 -6.932 0.680 180 1HB LYS 28 2HB LYS 28 8.524 -8.816 -0.808 181 1HG LYS 28 2HG LYS 28 5.845 -8.116 -1.996 182 1HD LYS 28 2HD LYS 28 6.106 -10.518 -1.686 183 1HE LYS 28 2HE LYS 28 8.629 -10.234 -3.312 184 1HZ LYS 28 1HZ LYS 28 8.548 -12.417 -3.612 185 2HZ LYS 28 2HZ LYS 28 6.943 -12.386 -3.071 186 3HZ LYS 28 3HZ LYS 28 8.199 -12.715 -1.980 187 H VAL 29 H VAL 29 6.859 -5.449 -2.197 188 HA VAL 29 HA VAL 29 9.234 -5.289 -3.684 189 HB VAL 29 HB VAL 29 8.268 -3.445 -4.908 190 1HG1 VAL 29 1HG1 VAL 29 7.448 -5.627 -5.474 191 2HG1 VAL 29 2HG1 VAL 29 6.234 -5.551 -4.194 192 3HG1 VAL 29 3HG1 VAL 29 6.121 -4.471 -5.586 193 1HG2 VAL 29 1HG2 VAL 29 5.804 -2.847 -4.040 194 2HG2 VAL 29 2HG2 VAL 29 6.601 -3.125 -2.491 195 3HG2 VAL 29 3HG2 VAL 29 7.239 -1.914 -3.607 196 H HIS 30 H HIS 30 7.958 -3.246 -1.098 197 HA HIS 30 HA HIS 30 10.158 -1.374 -1.232 198 1HB HIS 30 2HB HIS 30 8.084 -1.733 0.939 199 HD1 HIS 30 1HD HIS 30 8.724 0.821 -1.882 200 HD2 HIS 30 2HD HIS 30 5.669 -1.249 0.033 201 HE1 HIS 30 1HE HIS 30 6.545 1.589 -2.952 202 H THR 31 H THR 31 10.801 -4.166 -0.859 203 HA THR 31 HA THR 31 12.880 -3.889 0.998 204 HB THR 31 HB THR 31 11.143 -4.243 2.710 205 HG1 THR 31 1HG THR 31 13.257 -5.966 2.297 206 1HG2 THR 31 1HG2 THR 31 10.400 -6.879 2.575 207 2HG2 THR 31 2HG2 THR 31 10.314 -6.370 0.887 208 3HG2 THR 31 3HG2 THR 31 9.390 -5.507 2.121 209 H ASP 32 H ASP 32 12.224 -4.560 -1.669 210 HA ASP 32 HA ASP 32 14.072 -6.608 -2.139 211 1HB ASP 32 2HB ASP 32 12.064 -8.010 -1.474 212 H THR 33 H THR 33 12.208 -7.159 -4.671 213 HA THR 33 HA THR 33 13.340 -5.026 -6.258 214 HB THR 33 HB THR 33 11.414 -7.221 -7.052 215 HG1 THR 33 1HG THR 33 13.451 -7.976 -6.195 216 1HG2 THR 33 1HG2 THR 33 11.646 -6.576 -9.208 217 2HG2 THR 33 2HG2 THR 33 13.327 -6.090 -8.988 218 3HG2 THR 33 3HG2 THR 33 12.025 -5.009 -8.487 219 H LEU 34 H LEU 34 12.328 -3.175 -6.825 220 HA LEU 34 HA LEU 34 9.667 -2.648 -5.838 221 1HB LEU 34 2HB LEU 34 11.561 -0.974 -7.483 222 HG LEU 34 HG LEU 34 12.288 -1.215 -5.138 223 1HD1 LEU 34 1HD1 LEU 34 12.082 1.067 -6.599 224 2HD1 LEU 34 2HD1 LEU 34 11.256 1.526 -5.111 225 3HD1 LEU 34 3HD1 LEU 34 12.920 0.937 -5.053 226 1HD2 LEU 34 1HD2 LEU 34 10.727 -1.416 -3.568 227 2HD2 LEU 34 2HD2 LEU 34 10.422 0.311 -3.749 228 3HD2 LEU 34 3HD2 LEU 34 9.462 -0.852 -4.663 229 H SER 35 H SER 35 11.196 -3.104 -8.970 230 HA SER 35 HA SER 35 8.820 -2.545 -10.444 231 1HB SER 35 2HB SER 35 10.194 -3.347 -12.382 232 HG SER 35 HG SER 35 11.424 -4.836 -10.945
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