NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19854 | 2esy | 6892 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1H SER 1 -5.261 21.302 18.316 2 2H SER 1 2H SER 1 -5.945 22.730 17.772 3 3H SER 1 3H SER 1 -5.933 21.399 16.813 4 HA SER 1 HA SER 1 -3.487 22.735 17.669 5 1HB SER 1 1HB SER 1 -2.641 21.321 15.667 6 2HB SER 1 2HB SER 1 -3.110 20.429 17.119 7 HG SER 1 HG SER 1 -4.287 20.524 14.618 8 HA PRO 2 HA PRO 2 -4.374 25.144 13.743 9 1HB PRO 2 1HB PRO 2 -1.997 24.891 12.370 10 2HB PRO 2 2HB PRO 2 -2.229 26.071 13.695 11 1HG PRO 2 1HG PRO 2 -0.993 23.301 13.842 12 2HG PRO 2 2HG PRO 2 -0.324 24.844 14.469 13 1HD PRO 2 1HD PRO 2 -1.659 23.138 16.093 14 2HD PRO 2 2HD PRO 2 -1.875 24.900 16.251 15 HA PRO 3 HA PRO 3 -5.263 21.551 11.185 16 1HB PRO 3 1HB PRO 3 -4.998 22.402 8.585 17 2HB PRO 3 2HB PRO 3 -6.338 22.927 9.649 18 1HG PRO 3 1HG PRO 3 -3.735 24.379 9.076 19 2HG PRO 3 2HG PRO 3 -5.402 25.040 9.014 20 1HD PRO 3 1HD PRO 3 -3.821 25.383 11.188 21 2HD PRO 3 2HD PRO 3 -5.570 25.066 11.380 22 H ASP 4 H ASP 4 -4.217 19.993 9.549 23 HA ASP 4 HA ASP 4 -1.298 20.030 9.773 24 1HB ASP 4 1HB ASP 4 -1.434 17.735 10.242 25 2HB ASP 4 2HB ASP 4 -2.669 18.458 11.268 26 H TYR 5 H TYR 5 -0.744 17.931 8.166 27 HA TYR 5 HA TYR 5 -1.740 18.607 5.470 28 1HB TYR 5 1HB TYR 5 0.728 18.531 4.866 29 2HB TYR 5 2HB TYR 5 0.170 19.935 5.747 30 HD1 TYR 5 HD1 TYR 5 1.111 20.531 7.867 31 HD2 TYR 5 HD2 TYR 5 1.995 16.684 6.126 32 HE1 TYR 5 HE1 TYR 5 2.826 20.138 9.614 33 HE2 TYR 5 HE2 TYR 5 3.703 16.281 7.866 34 HH TYR 5 HH TYR 5 4.737 17.118 9.785 35 H SER 6 H SER 6 -2.126 16.154 7.382 36 HA SER 6 HA SER 6 -0.497 14.046 6.466 37 1HB SER 6 1HB SER 6 -3.279 13.870 7.669 38 2HB SER 6 2HB SER 6 -2.039 12.601 7.645 39 HG SER 6 HG SER 6 -2.162 15.024 9.051 40 H ALA 7 H ALA 7 -2.361 15.583 4.348 41 HA ALA 7 HA ALA 7 -3.788 13.399 3.018 42 1HB ALA 7 1HB ALA 7 -3.028 16.204 2.073 43 2HB ALA 7 2HB ALA 7 -4.089 15.071 1.210 44 3HB ALA 7 3HB ALA 7 -4.584 15.722 2.788 45 H ALA 8 H ALA 8 -2.013 11.951 3.122 46 HA ALA 8 HA ALA 8 0.481 11.991 2.459 47 1HB ALA 8 1HB ALA 8 -1.406 9.811 1.495 48 2HB ALA 8 2HB ALA 8 0.346 9.634 1.694 49 3HB ALA 8 3HB ALA 8 -0.677 9.953 3.113 50 HA PRO 9 HA PRO 9 0.696 13.424 -1.808 51 1HB PRO 9 1HB PRO 9 3.444 13.405 -2.130 52 2HB PRO 9 2HB PRO 9 2.537 14.685 -1.269 53 1HG PRO 9 1HG PRO 9 3.997 12.318 -0.090 54 2HG PRO 9 2HG PRO 9 4.016 14.018 0.460 55 1HD PRO 9 1HD PRO 9 2.452 12.099 1.612 56 2HD PRO 9 2HD PRO 9 1.906 13.799 1.480 57 H ARG 10 H ARG 10 1.566 12.536 -3.905 58 HA ARG 10 HA ARG 10 2.431 9.807 -4.004 59 1HB ARG 10 1HB ARG 10 0.458 9.045 -5.373 60 2HB ARG 10 2HB ARG 10 0.170 9.172 -3.653 61 1HG ARG 10 1HG ARG 10 -0.674 11.409 -5.538 62 2HG ARG 10 2HG ARG 10 -1.647 9.954 -5.322 63 1HD ARG 10 1HD ARG 10 -1.762 10.382 -2.863 64 2HD ARG 10 2HD ARG 10 -0.896 11.903 -3.114 65 HE ARG 10 HE ARG 10 -3.220 11.700 -4.791 66 1HH1 ARG 10 1HH1 ARG 10 -2.228 12.442 -1.444 67 2HH1 ARG 10 2HH1 ARG 10 -3.463 13.592 -1.159 68 1HH2 ARG 10 1HH2 ARG 10 -4.982 13.168 -4.378 69 2HH2 ARG 10 2HH2 ARG 10 -5.121 13.940 -2.847 70 H GLY 11 H GLY 11 2.967 9.269 -6.264 71 1HA GLY 11 1HA GLY 11 3.776 9.718 -8.327 72 2HA GLY 11 2HA GLY 11 2.678 11.102 -8.434 73 H ARG 12 H ARG 12 4.641 11.523 -5.722 74 HA ARG 12 HA ARG 12 7.099 12.381 -6.743 75 1HB ARG 12 1HB ARG 12 5.135 14.542 -5.781 76 2HB ARG 12 2HB ARG 12 6.893 14.711 -5.816 77 1HG ARG 12 1HG ARG 12 6.707 14.176 -8.355 78 2HG ARG 12 2HG ARG 12 4.987 14.543 -8.166 79 1HD ARG 12 1HD ARG 12 7.351 16.374 -7.576 80 2HD ARG 12 2HD ARG 12 6.233 16.505 -8.941 81 HE ARG 12 HE ARG 12 4.660 16.610 -6.643 82 1HH1 ARG 12 1HH1 ARG 12 7.214 18.567 -8.115 83 2HH1 ARG 12 2HH1 ARG 12 6.730 20.058 -7.401 84 1HH2 ARG 12 1HH2 ARG 12 3.977 18.616 -5.652 85 2HH2 ARG 12 2HH2 ARG 12 4.824 20.077 -5.970 86 H PHE 13 H PHE 13 8.073 11.477 -5.142 87 HA PHE 13 HA PHE 13 8.441 10.301 -3.125 88 1HB PHE 13 1HB PHE 13 8.565 13.264 -2.552 89 2HB PHE 13 2HB PHE 13 9.399 12.018 -1.619 90 HD1 PHE 13 HD1 PHE 13 9.576 14.239 -4.458 91 HD2 PHE 13 HD2 PHE 13 11.156 10.551 -2.860 92 HE1 PHE 13 HE1 PHE 13 11.496 14.370 -6.029 93 HE2 PHE 13 HE2 PHE 13 13.065 10.697 -4.435 94 HZ PHE 13 HZ PHE 13 13.234 12.598 -6.022 95 H GLY 14 H GLY 14 6.308 9.281 -2.700 96 1HA GLY 14 1HA GLY 14 5.040 10.339 -0.318 97 2HA GLY 14 2HA GLY 14 4.066 10.420 -1.793 98 H ILE 15 H ILE 15 2.766 8.989 -0.243 99 HA ILE 15 HA ILE 15 3.637 6.122 -0.222 100 HB ILE 15 HB ILE 15 2.057 7.739 1.792 101 1HG1 ILE 15 1HG1 ILE 15 4.040 6.504 3.213 102 2HG1 ILE 15 2HG1 ILE 15 4.872 6.696 1.679 103 1HG2 ILE 15 1HG2 ILE 15 1.960 5.636 3.140 104 2HG2 ILE 15 2HG2 ILE 15 0.968 5.604 1.693 105 3HG2 ILE 15 3HG2 ILE 15 2.503 4.737 1.704 106 1HD1 ILE 15 1HD1 ILE 15 5.285 8.575 3.228 107 2HD1 ILE 15 2HD1 ILE 15 4.440 9.161 1.789 108 3HD1 ILE 15 3HD1 ILE 15 3.547 8.919 3.306 109 HA PRO 16 HA PRO 16 -0.244 6.072 -2.605 110 1HB PRO 16 1HB PRO 16 0.441 4.140 -4.425 111 2HB PRO 16 2HB PRO 16 0.968 5.838 -4.608 112 1HG PRO 16 1HG PRO 16 2.528 3.525 -3.429 113 2HG PRO 16 2HG PRO 16 3.071 4.703 -4.665 114 1HD PRO 16 1HD PRO 16 3.679 5.000 -2.022 115 2HD PRO 16 2HD PRO 16 3.333 6.410 -3.054 116 H PHE 17 H PHE 17 -1.243 3.522 -3.163 117 HA PHE 17 HA PHE 17 -1.703 2.323 -0.615 118 1HB PHE 17 1HB PHE 17 -2.952 0.651 -2.027 119 2HB PHE 17 2HB PHE 17 -3.402 2.321 -2.275 120 HD1 PHE 17 HD1 PHE 17 -1.401 -0.496 -3.775 121 HD2 PHE 17 HD2 PHE 17 -3.284 3.342 -4.436 122 HE1 PHE 17 HE1 PHE 17 -0.955 -0.686 -6.190 123 HE2 PHE 17 HE2 PHE 17 -2.836 3.128 -6.865 124 HZ PHE 17 HZ PHE 17 -1.664 1.121 -7.745 125 H PHE 18 H PHE 18 1.233 2.247 -1.521 126 HA PHE 18 HA PHE 18 1.986 -0.238 -2.515 127 1HB PHE 18 1HB PHE 18 4.187 0.257 -2.014 128 2HB PHE 18 2HB PHE 18 3.442 1.814 -2.241 129 HD1 PHE 18 HD1 PHE 18 4.893 -0.516 0.223 130 HD2 PHE 18 HD2 PHE 18 3.457 3.495 -0.464 131 HE1 PHE 18 HE1 PHE 18 6.007 0.238 2.300 132 HE2 PHE 18 HE2 PHE 18 4.673 4.251 1.574 133 HZ PHE 18 HZ PHE 18 5.904 2.628 2.970 134 HA PRO 19 HA PRO 19 2.632 -2.010 1.854 135 1HB PRO 19 1HB PRO 19 0.991 -1.357 3.953 136 2HB PRO 19 2HB PRO 19 2.526 -0.518 3.572 137 1HG PRO 19 1HG PRO 19 -0.284 0.290 2.753 138 2HG PRO 19 2HG PRO 19 0.978 1.305 3.532 139 1HD PRO 19 1HD PRO 19 0.616 1.388 0.895 140 2HD PRO 19 2HD PRO 19 2.265 1.376 1.566 141 H VAL 20 H VAL 20 -0.373 -1.625 0.202 142 HA VAL 20 HA VAL 20 -1.969 -3.679 1.343 143 HB VAL 20 HB VAL 20 -1.573 -2.463 -1.434 144 1HG1 VAL 20 1HG1 VAL 20 -3.617 -3.623 -2.225 145 2HG1 VAL 20 2HG1 VAL 20 -2.198 -4.622 -2.097 146 3HG1 VAL 20 3HG1 VAL 20 -3.443 -4.751 -0.835 147 1HG2 VAL 20 1HG2 VAL 20 -3.808 -1.525 -1.040 148 2HG2 VAL 20 2HG2 VAL 20 -3.947 -2.418 0.489 149 3HG2 VAL 20 3HG2 VAL 20 -2.745 -1.119 0.309 150 H HIS 21 H HIS 21 0.222 -3.890 -1.424 151 HA HIS 21 HA HIS 21 -0.039 -6.618 -1.917 152 1HB HIS 21 1HB HIS 21 2.150 -4.601 -2.303 153 2HB HIS 21 2HB HIS 21 2.168 -6.156 -3.153 154 HD1 HIS 21 HD1 HIS 21 -0.152 -6.245 -5.001 155 HD2 HIS 21 HD2 HIS 21 1.067 -2.602 -3.255 156 HE1 HIS 21 HE1 HIS 21 -1.331 -4.391 -6.284 157 H LEU 22 H LEU 22 2.345 -4.912 0.044 158 HA LEU 22 HA LEU 22 3.841 -7.205 0.884 159 1HB LEU 22 1HB LEU 22 3.561 -4.436 2.137 160 2HB LEU 22 2HB LEU 22 4.702 -5.663 2.627 161 HG LEU 22 HG LEU 22 6.063 -4.371 1.349 162 1HD1 LEU 22 1HD1 LEU 22 6.581 -5.425 -0.769 163 2HD1 LEU 22 2HD1 LEU 22 6.123 -6.680 0.394 164 3HD1 LEU 22 3HD1 LEU 22 4.977 -6.162 -0.870 165 1HD2 LEU 22 1HD2 LEU 22 4.330 -2.798 0.578 166 2HD2 LEU 22 2HD2 LEU 22 5.516 -3.173 -0.674 167 3HD2 LEU 22 3HD2 LEU 22 3.910 -3.908 -0.747 168 H LYS 23 H LYS 23 1.173 -5.341 2.594 169 HA LYS 23 HA LYS 23 1.290 -7.166 4.812 170 1HB LYS 23 1HB LYS 23 0.240 -4.870 4.865 171 2HB LYS 23 2HB LYS 23 -1.137 -5.522 3.951 172 1HG LYS 23 1HG LYS 23 -1.569 -7.152 5.780 173 2HG LYS 23 2HG LYS 23 -0.088 -6.661 6.593 174 1HD LYS 23 1HD LYS 23 -1.839 -5.718 7.808 175 2HD LYS 23 2HD LYS 23 -1.096 -4.371 6.931 176 1HE LYS 23 1HE LYS 23 -2.918 -4.365 5.302 177 2HE LYS 23 2HE LYS 23 -3.564 -5.881 5.951 178 1HZ LYS 23 1HZ LYS 23 -3.482 -3.321 7.432 179 2HZ LYS 23 2HZ LYS 23 -4.818 -3.987 6.744 180 3HZ LYS 23 3HZ LYS 23 -4.085 -4.740 8.002 181 H ARG 24 H ARG 24 -0.246 -7.328 1.651 182 HA ARG 24 HA ARG 24 -1.914 -9.594 2.251 183 1HB ARG 24 1HB ARG 24 -2.436 -8.221 0.376 184 2HB ARG 24 2HB ARG 24 -0.856 -8.420 -0.336 185 1HG ARG 24 1HG ARG 24 -2.241 -11.022 -0.001 186 2HG ARG 24 2HG ARG 24 -3.189 -9.864 -0.908 187 1HD ARG 24 1HD ARG 24 -1.824 -11.191 -2.430 188 2HD ARG 24 2HD ARG 24 -1.398 -9.490 -2.501 189 HE ARG 24 HE ARG 24 0.661 -9.880 -1.479 190 1HH1 ARG 24 1HH1 ARG 24 -1.127 -12.942 -1.583 191 2HH1 ARG 24 2HH1 ARG 24 0.265 -13.948 -1.675 192 1HH2 ARG 24 1HH2 ARG 24 2.545 -11.201 -1.657 193 2HH2 ARG 24 2HH2 ARG 24 2.421 -12.920 -1.685 194 H LEU 25 H LEU 25 1.531 -9.259 1.445 195 HA LEU 25 HA LEU 25 1.973 -12.080 0.976 196 1HB LEU 25 1HB LEU 25 3.508 -10.095 0.398 197 2HB LEU 25 2HB LEU 25 3.999 -10.083 2.083 198 HG LEU 25 HG LEU 25 4.217 -12.578 0.353 199 1HD1 LEU 25 1HD1 LEU 25 6.316 -10.412 0.796 200 2HD1 LEU 25 2HD1 LEU 25 6.569 -11.951 -0.047 201 3HD1 LEU 25 3HD1 LEU 25 5.472 -10.748 -0.732 202 1HD2 LEU 25 1HD2 LEU 25 6.071 -13.138 1.971 203 2HD2 LEU 25 2HD2 LEU 25 5.611 -11.727 2.942 204 3HD2 LEU 25 3HD2 LEU 25 4.494 -13.094 2.732 205 H LEU 26 H LEU 26 2.259 -9.927 3.816 206 HA LEU 26 HA LEU 26 2.978 -11.980 5.649 207 1HB LEU 26 1HB LEU 26 3.263 -9.596 6.140 208 2HB LEU 26 2HB LEU 26 1.511 -9.365 6.159 209 HG LEU 26 HG LEU 26 1.306 -10.817 8.150 210 1HD1 LEU 26 1HD1 LEU 26 3.366 -11.492 9.401 211 2HD1 LEU 26 2HD1 LEU 26 3.206 -12.352 7.876 212 3HD1 LEU 26 3HD1 LEU 26 4.358 -11.002 8.013 213 1HD2 LEU 26 1HD2 LEU 26 2.368 -9.289 9.745 214 2HD2 LEU 26 2HD2 LEU 26 3.403 -8.630 8.464 215 3HD2 LEU 26 3HD2 LEU 26 1.640 -8.389 8.407 216 H ILE 27 H ILE 27 -0.292 -10.739 4.815 217 HA ILE 27 HA ILE 27 -1.731 -12.410 6.613 218 HB ILE 27 HB ILE 27 -2.464 -11.063 3.991 219 1HG1 ILE 27 1HG1 ILE 27 -3.431 -10.481 6.831 220 2HG1 ILE 27 2HG1 ILE 27 -1.974 -9.751 6.185 221 1HG2 ILE 27 1HG2 ILE 27 -4.865 -11.534 4.511 222 2HG2 ILE 27 2HG2 ILE 27 -3.968 -13.007 4.182 223 3HG2 ILE 27 3HG2 ILE 27 -4.351 -12.574 5.856 224 1HD1 ILE 27 1HD1 ILE 27 -4.777 -9.374 5.059 225 2HD1 ILE 27 2HD1 ILE 27 -3.805 -8.197 5.947 226 3HD1 ILE 27 3HD1 ILE 27 -3.287 -8.726 4.332 227 H LEU 28 H LEU 28 -0.616 -13.026 3.219 228 HA LEU 28 HA LEU 28 -1.778 -15.653 3.085 229 1HB LEU 28 1HB LEU 28 -0.990 -14.166 1.204 230 2HB LEU 28 2HB LEU 28 0.655 -14.661 1.598 231 HG LEU 28 HG LEU 28 -0.382 -15.866 -0.228 232 1HD1 LEU 28 1HD1 LEU 28 0.425 -18.002 0.208 233 2HD1 LEU 28 2HD1 LEU 28 1.337 -16.959 1.338 234 3HD1 LEU 28 3HD1 LEU 28 -0.019 -17.954 1.904 235 1HD2 LEU 28 1HD2 LEU 28 -2.201 -17.474 0.014 236 2HD2 LEU 28 2HD2 LEU 28 -2.239 -17.261 1.754 237 3HD2 LEU 28 3HD2 LEU 28 -2.769 -15.935 0.709 238 H LEU 29 H LEU 29 1.481 -14.595 3.988 239 HA LEU 29 HA LEU 29 2.581 -17.095 4.649 240 1HB LEU 29 1HB LEU 29 3.791 -14.960 4.628 241 2HB LEU 29 2HB LEU 29 3.011 -14.455 6.122 242 HG LEU 29 HG LEU 29 4.632 -17.027 6.007 243 1HD1 LEU 29 1HD1 LEU 29 5.699 -14.212 6.503 244 2HD1 LEU 29 2HD1 LEU 29 6.611 -15.724 6.706 245 3HD1 LEU 29 3HD1 LEU 29 6.064 -15.243 5.098 246 1HD2 LEU 29 1HD2 LEU 29 4.004 -15.053 8.267 247 2HD2 LEU 29 2HD2 LEU 29 3.394 -16.715 8.118 248 3HD2 LEU 29 3HD2 LEU 29 5.099 -16.444 8.408 249 H LEU 30 H LEU 30 0.621 -14.971 6.788 250 HA LEU 30 HA LEU 30 0.457 -16.771 8.980 251 1HB LEU 30 1HB LEU 30 -0.117 -14.356 9.026 252 2HB LEU 30 2HB LEU 30 -1.534 -14.689 8.047 253 HG LEU 30 HG LEU 30 -2.504 -16.091 9.843 254 1HD1 LEU 30 1HD1 LEU 30 -0.500 -16.907 10.991 255 2HD1 LEU 30 2HD1 LEU 30 -0.035 -15.249 11.439 256 3HD1 LEU 30 3HD1 LEU 30 -1.491 -16.003 12.130 257 1HD2 LEU 30 1HD2 LEU 30 -3.021 -14.253 11.382 258 2HD2 LEU 30 2HD2 LEU 30 -1.639 -13.319 10.765 259 3HD2 LEU 30 3HD2 LEU 30 -3.022 -13.689 9.705 260 H LEU 31 H LEU 31 -1.628 -16.382 6.145 261 HA LEU 31 HA LEU 31 -3.548 -18.407 6.772 262 1HB LEU 31 1HB LEU 31 -3.778 -16.534 5.131 263 2HB LEU 31 2HB LEU 31 -2.781 -17.453 4.015 264 HG LEU 31 HG LEU 31 -5.013 -19.064 5.114 265 1HD1 LEU 31 1HD1 LEU 31 -6.819 -17.917 3.918 266 2HD1 LEU 31 2HD1 LEU 31 -6.149 -16.900 5.200 267 3HD1 LEU 31 3HD1 LEU 31 -5.718 -16.580 3.503 268 1HD2 LEU 31 1HD2 LEU 31 -3.663 -19.673 3.082 269 2HD2 LEU 31 2HD2 LEU 31 -5.399 -19.609 2.774 270 3HD2 LEU 31 3HD2 LEU 31 -4.358 -18.273 2.234 271 1HN NH2 32 1HN NH2 32 -0.212 -18.808 5.930 272 2HN NH2 32 2HN NH2 32 -0.341 -20.509 5.526 Start of MODEL 2 1 1H SER 1 1H SER 1 -21.110 8.132 -10.560 2 2H SER 1 2H SER 1 -20.320 7.877 -12.012 3 3H SER 1 3H SER 1 -19.808 7.123 -10.649 4 HA SER 1 HA SER 1 -19.727 10.020 -10.970 5 1HB SER 1 1HB SER 1 -18.150 9.700 -8.957 6 2HB SER 1 2HB SER 1 -19.853 9.330 -8.654 7 HG SER 1 HG SER 1 -17.645 7.657 -8.783 8 HA PRO 2 HA PRO 2 -15.513 8.923 -12.699 9 1HB PRO 2 1HB PRO 2 -13.845 10.515 -11.181 10 2HB PRO 2 2HB PRO 2 -14.754 11.123 -12.600 11 1HG PRO 2 1HG PRO 2 -15.519 11.301 -9.666 12 2HG PRO 2 2HG PRO 2 -15.504 12.617 -10.885 13 1HD PRO 2 1HD PRO 2 -17.793 11.318 -10.263 14 2HD PRO 2 2HD PRO 2 -17.442 11.777 -11.948 15 HA PRO 3 HA PRO 3 -14.389 6.084 -9.394 16 1HB PRO 3 1HB PRO 3 -11.712 5.632 -9.734 17 2HB PRO 3 2HB PRO 3 -12.941 5.064 -10.903 18 1HG PRO 3 1HG PRO 3 -11.270 7.597 -11.053 19 2HG PRO 3 2HG PRO 3 -11.512 6.360 -12.327 20 1HD PRO 3 1HD PRO 3 -12.967 8.657 -12.243 21 2HD PRO 3 2HD PRO 3 -13.713 7.112 -12.753 22 H ASP 4 H ASP 4 -12.848 5.844 -7.451 23 HA ASP 4 HA ASP 4 -12.555 8.353 -6.001 24 1HB ASP 4 1HB ASP 4 -12.384 6.825 -4.114 25 2HB ASP 4 2HB ASP 4 -13.735 6.293 -5.111 26 H TYR 5 H TYR 5 -10.744 7.439 -8.195 27 HA TYR 5 HA TYR 5 -8.340 6.333 -7.543 28 1HB TYR 5 1HB TYR 5 -7.626 6.928 -9.665 29 2HB TYR 5 2HB TYR 5 -9.356 6.753 -9.800 30 HD1 TYR 5 HD1 TYR 5 -6.849 8.482 -11.191 31 HD2 TYR 5 HD2 TYR 5 -10.474 9.410 -9.022 32 HE1 TYR 5 HE1 TYR 5 -6.952 10.706 -12.280 33 HE2 TYR 5 HE2 TYR 5 -10.564 11.594 -10.074 34 HH TYR 5 HH TYR 5 -9.489 13.097 -11.500 35 H SER 6 H SER 6 -8.914 8.716 -5.759 36 HA SER 6 HA SER 6 -7.119 10.836 -5.887 37 1HB SER 6 1HB SER 6 -8.297 9.603 -3.373 38 2HB SER 6 2HB SER 6 -8.022 11.311 -3.738 39 HG SER 6 HG SER 6 -10.084 9.594 -4.481 40 H ALA 7 H ALA 7 -5.577 8.262 -6.147 41 HA ALA 7 HA ALA 7 -4.361 7.511 -3.674 42 1HB ALA 7 1HB ALA 7 -2.704 6.354 -5.114 43 2HB ALA 7 2HB ALA 7 -4.368 6.052 -5.667 44 3HB ALA 7 3HB ALA 7 -3.335 7.216 -6.532 45 H ALA 8 H ALA 8 -2.592 8.217 -2.631 46 HA ALA 8 HA ALA 8 -1.553 10.794 -2.907 47 1HB ALA 8 1HB ALA 8 -0.277 8.317 -1.676 48 2HB ALA 8 2HB ALA 8 0.200 9.978 -1.313 49 3HB ALA 8 3HB ALA 8 -1.411 9.409 -0.849 50 HA PRO 9 HA PRO 9 1.157 10.638 -6.263 51 1HB PRO 9 1HB PRO 9 3.328 12.225 -5.593 52 2HB PRO 9 2HB PRO 9 1.689 12.845 -5.952 53 1HG PRO 9 1HG PRO 9 2.907 12.267 -3.237 54 2HG PRO 9 2HG PRO 9 2.020 13.732 -3.763 55 1HD PRO 9 1HD PRO 9 0.782 11.768 -2.382 56 2HD PRO 9 2HD PRO 9 -0.064 12.597 -3.720 57 H ARG 10 H ARG 10 3.305 10.026 -7.106 58 HA ARG 10 HA ARG 10 4.958 8.382 -5.356 59 1HB ARG 10 1HB ARG 10 4.904 6.444 -7.041 60 2HB ARG 10 2HB ARG 10 3.639 6.638 -5.857 61 1HG ARG 10 1HG ARG 10 2.395 6.003 -7.597 62 2HG ARG 10 2HG ARG 10 2.220 7.729 -7.777 63 1HD ARG 10 1HD ARG 10 4.131 5.936 -9.354 64 2HD ARG 10 2HD ARG 10 2.538 6.487 -9.900 65 HE ARG 10 HE ARG 10 4.257 8.674 -9.139 66 1HH1 ARG 10 1HH1 ARG 10 3.473 6.572 -11.889 67 2HH1 ARG 10 2HH1 ARG 10 4.147 7.630 -13.069 68 1HH2 ARG 10 1HH2 ARG 10 5.175 10.026 -10.610 69 2HH2 ARG 10 2HH2 ARG 10 5.137 9.710 -12.315 70 H GLY 11 H GLY 11 7.092 8.193 -6.120 71 1HA GLY 11 1HA GLY 11 8.940 8.834 -7.326 72 2HA GLY 11 2HA GLY 11 7.909 9.408 -8.647 73 H ARG 12 H ARG 12 6.784 10.760 -5.779 74 HA ARG 12 HA ARG 12 8.669 12.866 -5.314 75 1HB ARG 12 1HB ARG 12 5.995 13.517 -6.659 76 2HB ARG 12 2HB ARG 12 6.833 14.633 -5.579 77 1HG ARG 12 1HG ARG 12 8.885 14.379 -7.102 78 2HG ARG 12 2HG ARG 12 7.783 13.625 -8.276 79 1HD ARG 12 1HD ARG 12 6.401 15.647 -8.333 80 2HD ARG 12 2HD ARG 12 7.359 16.374 -7.026 81 HE ARG 12 HE ARG 12 9.055 15.661 -9.201 82 1HH1 ARG 12 1HH1 ARG 12 6.667 18.122 -8.283 83 2HH1 ARG 12 2HH1 ARG 12 7.342 19.376 -9.249 84 1HH2 ARG 12 1HH2 ARG 12 9.990 17.347 -10.510 85 2HH2 ARG 12 2HH2 ARG 12 9.282 18.909 -10.555 86 H PHE 13 H PHE 13 8.660 12.222 -3.269 87 HA PHE 13 HA PHE 13 7.872 11.298 -1.267 88 1HB PHE 13 1HB PHE 13 7.126 14.228 -1.362 89 2HB PHE 13 2HB PHE 13 7.502 13.294 0.083 90 HD1 PHE 13 HD1 PHE 13 8.864 15.390 -2.485 91 HD2 PHE 13 HD2 PHE 13 9.869 12.138 0.174 92 HE1 PHE 13 HE1 PHE 13 11.281 15.870 -2.795 93 HE2 PHE 13 HE2 PHE 13 12.276 12.626 -0.150 94 HZ PHE 13 HZ PHE 13 12.986 14.482 -1.638 95 H GLY 14 H GLY 14 6.091 9.758 -1.895 96 1HA GLY 14 1HA GLY 14 3.790 10.451 -0.369 97 2HA GLY 14 2HA GLY 14 3.411 10.327 -2.091 98 H ILE 15 H ILE 15 2.259 8.583 -0.368 99 HA ILE 15 HA ILE 15 3.498 5.895 -0.789 100 HB ILE 15 HB ILE 15 2.368 7.088 1.761 101 1HG1 ILE 15 1HG1 ILE 15 5.166 6.056 1.119 102 2HG1 ILE 15 2HG1 ILE 15 4.704 7.733 1.384 103 1HG2 ILE 15 1HG2 ILE 15 3.227 4.214 1.245 104 2HG2 ILE 15 2HG2 ILE 15 2.675 4.882 2.793 105 3HG2 ILE 15 3HG2 ILE 15 1.565 4.766 1.446 106 1HD1 ILE 15 1HD1 ILE 15 4.741 5.541 3.475 107 2HD1 ILE 15 2HD1 ILE 15 5.765 6.978 3.366 108 3HD1 ILE 15 3HD1 ILE 15 4.037 7.161 3.729 109 HA PRO 16 HA PRO 16 -0.878 6.008 -2.151 110 1HB PRO 16 1HB PRO 16 -0.609 4.342 -4.330 111 2HB PRO 16 2HB PRO 16 -0.235 6.084 -4.389 112 1HG PRO 16 1HG PRO 16 1.695 3.785 -3.986 113 2HG PRO 16 2HG PRO 16 1.835 5.165 -5.122 114 1HD PRO 16 1HD PRO 16 3.092 5.152 -2.706 115 2HD PRO 16 2HD PRO 16 2.411 6.657 -3.359 116 H PHE 17 H PHE 17 -1.954 3.562 -2.859 117 HA PHE 17 HA PHE 17 -1.996 2.025 -0.501 118 1HB PHE 17 1HB PHE 17 -3.402 0.504 -1.941 119 2HB PHE 17 2HB PHE 17 -3.886 2.184 -1.967 120 HD1 PHE 17 HD1 PHE 17 -4.007 3.418 -4.021 121 HD2 PHE 17 HD2 PHE 17 -2.015 -0.419 -3.937 122 HE1 PHE 17 HE1 PHE 17 -3.780 3.471 -6.483 123 HE2 PHE 17 HE2 PHE 17 -1.799 -0.350 -6.401 124 HZ PHE 17 HZ PHE 17 -2.672 1.596 -7.679 125 H PHE 18 H PHE 18 0.789 2.119 -1.835 126 HA PHE 18 HA PHE 18 1.350 -0.340 -3.110 127 1HB PHE 18 1HB PHE 18 3.608 0.172 -3.038 128 2HB PHE 18 2HB PHE 18 2.829 1.731 -3.044 129 HD1 PHE 18 HD1 PHE 18 3.586 3.392 -1.573 130 HD2 PHE 18 HD2 PHE 18 4.467 -0.748 -0.761 131 HE1 PHE 18 HE1 PHE 18 5.289 4.062 0.100 132 HE2 PHE 18 HE2 PHE 18 6.063 -0.067 0.995 133 HZ PHE 18 HZ PHE 18 6.490 2.344 1.421 134 HA PRO 19 HA PRO 19 2.692 -2.156 1.064 135 1HB PRO 19 1HB PRO 19 1.485 -1.476 3.429 136 2HB PRO 19 2HB PRO 19 2.950 -0.680 2.774 137 1HG PRO 19 1HG PRO 19 0.065 0.223 2.509 138 2HG PRO 19 2HG PRO 19 1.487 1.192 3.023 139 1HD PRO 19 1HD PRO 19 0.584 1.273 0.515 140 2HD PRO 19 2HD PRO 19 2.337 1.273 0.829 141 H VAL 20 H VAL 20 -0.548 -1.699 -0.059 142 HA VAL 20 HA VAL 20 -1.959 -3.720 1.366 143 HB VAL 20 HB VAL 20 -2.058 -2.581 -1.458 144 1HG1 VAL 20 1HG1 VAL 20 -2.809 -4.813 -1.837 145 2HG1 VAL 20 2HG1 VAL 20 -3.892 -4.746 -0.434 146 3HG1 VAL 20 3HG1 VAL 20 -4.178 -3.724 -1.877 147 1HG2 VAL 20 1HG2 VAL 20 -4.023 -2.420 0.875 148 2HG2 VAL 20 2HG2 VAL 20 -2.861 -1.153 0.419 149 3HG2 VAL 20 3HG2 VAL 20 -4.171 -1.585 -0.685 150 H HIS 21 H HIS 21 -0.108 -3.925 -1.679 151 HA HIS 21 HA HIS 21 -0.498 -6.696 -2.094 152 1HB HIS 21 1HB HIS 21 1.394 -4.544 -2.978 153 2HB HIS 21 2HB HIS 21 1.719 -6.206 -3.490 154 HD1 HIS 21 HD1 HIS 21 -1.999 -5.264 -3.538 155 HD2 HIS 21 HD2 HIS 21 1.433 -5.045 -5.991 156 HE1 HIS 21 HE1 HIS 21 -2.809 -4.760 -5.889 157 H LEU 22 H LEU 22 1.977 -4.968 -0.301 158 HA LEU 22 HA LEU 22 3.633 -7.298 0.234 159 1HB LEU 22 1HB LEU 22 3.560 -4.481 1.416 160 2HB LEU 22 2HB LEU 22 4.710 -5.708 1.873 161 HG LEU 22 HG LEU 22 5.947 -4.482 0.401 162 1HD1 LEU 22 1HD1 LEU 22 5.955 -6.894 -0.291 163 2HD1 LEU 22 2HD1 LEU 22 4.752 -6.500 -1.548 164 3HD1 LEU 22 3HD1 LEU 22 6.361 -5.768 -1.598 165 1HD2 LEU 22 1HD2 LEU 22 5.246 -3.513 -1.699 166 2HD2 LEU 22 2HD2 LEU 22 3.645 -4.256 -1.580 167 3HD2 LEU 22 3HD2 LEU 22 4.146 -3.014 -0.414 168 H LYS 23 H LYS 23 1.289 -5.378 2.280 169 HA LYS 23 HA LYS 23 1.582 -7.192 4.473 170 1HB LYS 23 1HB LYS 23 0.586 -4.869 4.587 171 2HB LYS 23 2HB LYS 23 -0.883 -5.514 3.829 172 1HG LYS 23 1HG LYS 23 -1.146 -7.106 5.722 173 2HG LYS 23 2HG LYS 23 0.367 -6.530 6.432 174 1HD LYS 23 1HD LYS 23 -0.645 -4.292 6.762 175 2HD LYS 23 2HD LYS 23 -2.163 -4.877 6.032 176 1HE LYS 23 1HE LYS 23 -2.309 -6.642 7.799 177 2HE LYS 23 2HE LYS 23 -0.824 -6.026 8.533 178 1HZ LYS 23 1HZ LYS 23 -3.362 -4.520 8.288 179 2HZ LYS 23 2HZ LYS 23 -2.776 -5.202 9.659 180 3HZ LYS 23 3HZ LYS 23 -1.977 -3.945 8.975 181 H ARG 24 H ARG 24 -0.284 -7.395 1.480 182 HA ARG 24 HA ARG 24 -1.963 -9.579 2.289 183 1HB ARG 24 1HB ARG 24 -2.561 -8.343 0.375 184 2HB ARG 24 2HB ARG 24 -1.001 -8.511 -0.377 185 1HG ARG 24 1HG ARG 24 -3.017 -10.774 -0.011 186 2HG ARG 24 2HG ARG 24 -2.850 -9.780 -1.448 187 1HD ARG 24 1HD ARG 24 -1.041 -11.972 -0.477 188 2HD ARG 24 2HD ARG 24 -1.753 -11.711 -2.062 189 HE ARG 24 HE ARG 24 0.053 -9.570 -1.466 190 1HH1 ARG 24 1HH1 ARG 24 0.172 -13.011 -2.289 191 2HH1 ARG 24 2HH1 ARG 24 1.781 -12.963 -2.903 192 1HH2 ARG 24 1HH2 ARG 24 2.126 -9.461 -2.183 193 2HH2 ARG 24 2HH2 ARG 24 2.930 -10.813 -2.929 194 H LEU 25 H LEU 25 1.429 -9.449 1.209 195 HA LEU 25 HA LEU 25 1.714 -12.300 0.848 196 1HB LEU 25 1HB LEU 25 3.247 -10.406 0.033 197 2HB LEU 25 2HB LEU 25 3.900 -10.323 1.655 198 HG LEU 25 HG LEU 25 3.855 -12.932 0.085 199 1HD1 LEU 25 1HD1 LEU 25 6.048 -10.815 0.084 200 2HD1 LEU 25 2HD1 LEU 25 6.144 -12.421 -0.662 201 3HD1 LEU 25 3HD1 LEU 25 5.000 -11.232 -1.291 202 1HD2 LEU 25 1HD2 LEU 25 5.624 -11.931 2.376 203 2HD2 LEU 25 2HD2 LEU 25 4.419 -13.234 2.467 204 3HD2 LEU 25 3HD2 LEU 25 5.861 -13.453 1.497 205 H LEU 26 H LEU 26 2.300 -10.012 3.526 206 HA LEU 26 HA LEU 26 3.146 -11.970 5.412 207 1HB LEU 26 1HB LEU 26 3.534 -9.550 5.687 208 2HB LEU 26 2HB LEU 26 1.799 -9.280 5.881 209 HG LEU 26 HG LEU 26 1.803 -10.600 7.981 210 1HD1 LEU 26 1HD1 LEU 26 4.819 -10.804 7.512 211 2HD1 LEU 26 2HD1 LEU 26 3.998 -11.184 9.041 212 3HD1 LEU 26 3HD1 LEU 26 3.661 -12.153 7.612 213 1HD2 LEU 26 1HD2 LEU 26 2.138 -8.162 8.026 214 2HD2 LEU 26 2HD2 LEU 26 3.024 -8.960 9.335 215 3HD2 LEU 26 3HD2 LEU 26 3.899 -8.393 7.899 216 H ILE 27 H ILE 27 -0.148 -10.689 4.779 217 HA ILE 27 HA ILE 27 -1.458 -12.155 6.846 218 HB ILE 27 HB ILE 27 -2.407 -10.975 4.210 219 1HG1 ILE 27 1HG1 ILE 27 -3.054 -10.137 7.075 220 2HG1 ILE 27 2HG1 ILE 27 -1.651 -9.519 6.228 221 1HG2 ILE 27 1HG2 ILE 27 -3.944 -12.841 4.716 222 2HG2 ILE 27 2HG2 ILE 27 -4.146 -12.253 6.374 223 3HG2 ILE 27 3HG2 ILE 27 -4.754 -11.311 4.995 224 1HD1 ILE 27 1HD1 ILE 27 -3.447 -7.913 6.042 225 2HD1 ILE 27 2HD1 ILE 27 -3.118 -8.595 4.436 226 3HD1 ILE 27 3HD1 ILE 27 -4.543 -9.120 5.364 227 H LEU 28 H LEU 28 -0.767 -13.014 3.391 228 HA LEU 28 HA LEU 28 -1.981 -15.607 3.561 229 1HB LEU 28 1HB LEU 28 -1.372 -14.257 1.514 230 2HB LEU 28 2HB LEU 28 0.293 -14.784 1.750 231 HG LEU 28 HG LEU 28 -0.982 -16.061 0.126 232 1HD1 LEU 28 1HD1 LEU 28 -0.185 -18.190 0.603 233 2HD1 LEU 28 2HD1 LEU 28 0.878 -17.111 1.550 234 3HD1 LEU 28 3HD1 LEU 28 -0.428 -18.027 2.334 235 1HD2 LEU 28 1HD2 LEU 28 -2.634 -17.269 2.396 236 2HD2 LEU 28 2HD2 LEU 28 -3.244 -15.994 1.330 237 3HD2 LEU 28 3HD2 LEU 28 -2.802 -17.592 0.680 238 H LEU 29 H LEU 29 1.402 -14.625 4.013 239 HA LEU 29 HA LEU 29 2.463 -17.130 4.697 240 1HB LEU 29 1HB LEU 29 3.848 -15.125 4.443 241 2HB LEU 29 2HB LEU 29 3.123 -14.408 5.882 242 HG LEU 29 HG LEU 29 4.105 -16.185 7.303 243 1HD1 LEU 29 1HD1 LEU 29 4.271 -18.056 5.720 244 2HD1 LEU 29 2HD1 LEU 29 5.420 -17.142 4.711 245 3HD1 LEU 29 3HD1 LEU 29 5.869 -17.672 6.348 246 1HD2 LEU 29 1HD2 LEU 29 5.304 -14.070 6.922 247 2HD2 LEU 29 2HD2 LEU 29 6.431 -15.416 7.126 248 3HD2 LEU 29 3HD2 LEU 29 6.114 -14.769 5.500 249 H LEU 30 H LEU 30 0.840 -14.802 6.908 250 HA LEU 30 HA LEU 30 0.898 -16.451 9.226 251 1HB LEU 30 1HB LEU 30 0.413 -14.015 9.172 252 2HB LEU 30 2HB LEU 30 -1.120 -14.354 8.392 253 HG LEU 30 HG LEU 30 -1.910 -15.600 10.385 254 1HD1 LEU 30 1HD1 LEU 30 0.746 -14.720 11.622 255 2HD1 LEU 30 2HD1 LEU 30 -0.638 -15.383 12.527 256 3HD1 LEU 30 3HD1 LEU 30 0.196 -16.392 11.352 257 1HD2 LEU 30 1HD2 LEU 30 -0.881 -12.793 10.972 258 2HD2 LEU 30 2HD2 LEU 30 -2.390 -13.206 10.119 259 3HD2 LEU 30 3HD2 LEU 30 -2.198 -13.633 11.825 260 H LEU 31 H LEU 31 -1.476 -16.168 6.623 261 HA LEU 31 HA LEU 31 -3.398 -18.044 7.594 262 1HB LEU 31 1HB LEU 31 -3.714 -16.315 5.818 263 2HB LEU 31 2HB LEU 31 -2.872 -17.376 4.700 264 HG LEU 31 HG LEU 31 -5.059 -18.745 6.172 265 1HD1 LEU 31 1HD1 LEU 31 -6.898 -17.645 4.976 266 2HD1 LEU 31 2HD1 LEU 31 -6.076 -16.523 6.069 267 3HD1 LEU 31 3HD1 LEU 31 -5.767 -16.438 4.318 268 1HD2 LEU 31 1HD2 LEU 31 -5.670 -19.547 3.957 269 2HD2 LEU 31 2HD2 LEU 31 -4.614 -18.353 3.172 270 3HD2 LEU 31 3HD2 LEU 31 -3.919 -19.678 4.129 271 1HN NH2 32 1HN NH2 32 -0.186 -18.648 6.390 272 2HN NH2 32 2HN NH2 32 -0.406 -20.377 6.199 Start of MODEL 3 1 1H SER 1 1H SER 1 -5.195 -16.314 -13.323 2 2H SER 1 2H SER 1 -3.603 -16.643 -13.708 3 3H SER 1 3H SER 1 -3.990 -16.079 -12.217 4 HA SER 1 HA SER 1 -4.369 -14.524 -14.657 5 1HB SER 1 1HB SER 1 -4.634 -12.680 -12.904 6 2HB SER 1 2HB SER 1 -5.906 -13.909 -12.875 7 HG SER 1 HG SER 1 -3.859 -13.386 -11.054 8 HA PRO 2 HA PRO 2 -0.030 -13.190 -13.554 9 1HB PRO 2 1HB PRO 2 -0.257 -10.437 -13.538 10 2HB PRO 2 2HB PRO 2 -0.061 -11.400 -15.036 11 1HG PRO 2 1HG PRO 2 -2.633 -10.356 -13.803 12 2HG PRO 2 2HG PRO 2 -2.084 -10.215 -15.507 13 1HD PRO 2 1HD PRO 2 -3.813 -12.153 -14.764 14 2HD PRO 2 2HD PRO 2 -2.514 -12.500 -15.931 15 HA PRO 3 HA PRO 3 -0.801 -12.380 -9.183 16 1HB PRO 3 1HB PRO 3 1.506 -11.216 -8.304 17 2HB PRO 3 2HB PRO 3 1.476 -12.897 -8.915 18 1HG PRO 3 1HG PRO 3 2.204 -10.377 -10.456 19 2HG PRO 3 2HG PRO 3 3.155 -11.895 -10.314 20 1HD PRO 3 1HD PRO 3 1.510 -11.428 -12.430 21 2HD PRO 3 2HD PRO 3 1.677 -13.067 -11.733 22 H ASP 4 H ASP 4 -0.262 -10.241 -7.531 23 HA ASP 4 HA ASP 4 -2.017 -8.188 -8.474 24 1HB ASP 4 1HB ASP 4 -1.584 -7.150 -6.320 25 2HB ASP 4 2HB ASP 4 -2.119 -8.812 -6.142 26 H TYR 5 H TYR 5 -1.421 -6.567 -9.409 27 HA TYR 5 HA TYR 5 0.678 -6.204 -11.004 28 1HB TYR 5 1HB TYR 5 0.029 -3.795 -11.224 29 2HB TYR 5 2HB TYR 5 -1.232 -4.986 -11.445 30 HD1 TYR 5 HD1 TYR 5 -0.080 -2.183 -9.359 31 HD2 TYR 5 HD2 TYR 5 -3.097 -5.227 -9.829 32 HE1 TYR 5 HE1 TYR 5 -1.529 -1.003 -7.723 33 HE2 TYR 5 HE2 TYR 5 -4.539 -4.057 -8.208 34 HH TYR 5 HH TYR 5 -4.764 -2.193 -6.804 35 H SER 6 H SER 6 2.726 -6.562 -10.264 36 HA SER 6 HA SER 6 4.161 -5.411 -8.318 37 1HB SER 6 1HB SER 6 5.292 -5.808 -11.108 38 2HB SER 6 2HB SER 6 6.065 -6.122 -9.543 39 HG SER 6 HG SER 6 5.377 -8.076 -10.425 40 H ALA 7 H ALA 7 2.863 -3.618 -10.932 41 HA ALA 7 HA ALA 7 4.797 -1.432 -11.001 42 1HB ALA 7 1HB ALA 7 1.974 -1.678 -12.133 43 2HB ALA 7 2HB ALA 7 3.152 -0.412 -12.519 44 3HB ALA 7 3HB ALA 7 3.478 -2.087 -12.998 45 H ALA 8 H ALA 8 2.444 -2.313 -8.686 46 HA ALA 8 HA ALA 8 0.897 -0.214 -8.157 47 1HB ALA 8 1HB ALA 8 0.911 -2.301 -6.865 48 2HB ALA 8 2HB ALA 8 2.421 -1.818 -6.061 49 3HB ALA 8 3HB ALA 8 0.928 -0.894 -5.789 50 HA PRO 9 HA PRO 9 3.616 3.234 -7.553 51 1HB PRO 9 1HB PRO 9 1.935 5.078 -6.375 52 2HB PRO 9 2HB PRO 9 1.854 4.622 -8.103 53 1HG PRO 9 1HG PRO 9 0.180 3.538 -5.816 54 2HG PRO 9 2HG PRO 9 -0.375 4.117 -7.420 55 1HD PRO 9 1HD PRO 9 -0.001 1.476 -6.910 56 2HD PRO 9 2HD PRO 9 0.434 2.171 -8.503 57 H ARG 10 H ARG 10 5.122 3.791 -5.937 58 HA ARG 10 HA ARG 10 4.495 3.457 -3.135 59 1HB ARG 10 1HB ARG 10 6.201 1.693 -2.766 60 2HB ARG 10 2HB ARG 10 4.792 1.149 -3.665 61 1HG ARG 10 1HG ARG 10 6.137 1.335 -5.805 62 2HG ARG 10 2HG ARG 10 7.566 1.682 -4.808 63 1HD ARG 10 1HD ARG 10 7.304 -0.456 -3.637 64 2HD ARG 10 2HD ARG 10 5.796 -0.787 -4.488 65 HE ARG 10 HE ARG 10 8.525 -1.090 -5.471 66 1HH1 ARG 10 1HH1 ARG 10 5.129 -0.710 -6.637 67 2HH1 ARG 10 2HH1 ARG 10 5.331 -1.943 -7.831 68 1HH2 ARG 10 1HH2 ARG 10 8.712 -2.581 -7.318 69 2HH2 ARG 10 2HH2 ARG 10 7.287 -2.857 -8.279 70 H GLY 11 H GLY 11 5.836 4.643 -1.992 71 1HA GLY 11 1HA GLY 11 7.206 6.383 -1.465 72 2HA GLY 11 2HA GLY 11 8.432 5.269 -2.053 73 H ARG 12 H ARG 12 6.562 8.038 -2.738 74 HA ARG 12 HA ARG 12 8.585 9.206 -4.451 75 1HB ARG 12 1HB ARG 12 5.914 8.361 -5.672 76 2HB ARG 12 2HB ARG 12 6.789 9.786 -6.239 77 1HG ARG 12 1HG ARG 12 8.827 8.205 -6.523 78 2HG ARG 12 2HG ARG 12 7.641 6.885 -6.418 79 1HD ARG 12 1HD ARG 12 6.442 7.735 -8.351 80 2HD ARG 12 2HD ARG 12 7.425 9.216 -8.361 81 HE ARG 12 HE ARG 12 8.999 6.806 -8.557 82 1HH1 ARG 12 1HH1 ARG 12 7.146 9.137 -10.484 83 2HH1 ARG 12 2HH1 ARG 12 8.052 8.922 -11.932 84 1HH2 ARG 12 1HH2 ARG 12 10.250 6.505 -10.497 85 2HH2 ARG 12 2HH2 ARG 12 9.861 7.363 -11.934 86 H PHE 13 H PHE 13 8.666 10.766 -2.881 87 HA PHE 13 HA PHE 13 8.033 12.219 -1.253 88 1HB PHE 13 1HB PHE 13 6.879 13.231 -3.837 89 2HB PHE 13 2HB PHE 13 7.177 14.259 -2.427 90 HD1 PHE 13 HD1 PHE 13 8.584 12.987 -5.462 91 HD2 PHE 13 HD2 PHE 13 9.629 14.246 -1.467 92 HE1 PHE 13 HE1 PHE 13 10.947 13.293 -6.167 93 HE2 PHE 13 HE2 PHE 13 11.983 14.541 -2.181 94 HZ PHE 13 HZ PHE 13 12.646 14.066 -4.527 95 H GLY 14 H GLY 14 6.168 10.021 -1.093 96 1HA GLY 14 1HA GLY 14 4.134 11.016 0.521 97 2HA GLY 14 2HA GLY 14 3.494 10.888 -1.133 98 H ILE 15 H ILE 15 2.328 9.334 0.643 99 HA ILE 15 HA ILE 15 3.339 6.528 0.369 100 HB ILE 15 HB ILE 15 2.089 7.969 2.725 101 1HG1 ILE 15 1HG1 ILE 15 4.839 6.708 2.343 102 2HG1 ILE 15 2HG1 ILE 15 4.476 8.418 2.520 103 1HG2 ILE 15 1HG2 ILE 15 1.106 5.718 2.513 104 2HG2 ILE 15 2HG2 ILE 15 2.715 4.998 2.466 105 3HG2 ILE 15 3HG2 ILE 15 2.133 5.826 3.924 106 1HD1 ILE 15 1HD1 ILE 15 5.359 7.663 4.591 107 2HD1 ILE 15 2HD1 ILE 15 3.629 7.975 4.839 108 3HD1 ILE 15 3HD1 ILE 15 4.232 6.304 4.679 109 HA PRO 16 HA PRO 16 -0.870 6.753 -1.409 110 1HB PRO 16 1HB PRO 16 -0.476 5.031 -3.508 111 2HB PRO 16 2HB PRO 16 0.042 6.741 -3.575 112 1HG PRO 16 1HG PRO 16 1.715 4.321 -2.850 113 2HG PRO 16 2HG PRO 16 2.104 5.601 -4.045 114 1HD PRO 16 1HD PRO 16 3.085 5.652 -1.516 115 2HD PRO 16 2HD PRO 16 2.596 7.161 -2.318 116 H PHE 17 H PHE 17 -2.002 4.327 -2.101 117 HA PHE 17 HA PHE 17 -2.222 2.865 0.303 118 1HB PHE 17 1HB PHE 17 -3.684 1.411 -1.028 119 2HB PHE 17 2HB PHE 17 -4.006 3.096 -1.364 120 HD1 PHE 17 HD1 PHE 17 -3.644 4.043 -3.598 121 HD2 PHE 17 HD2 PHE 17 -2.548 -0.051 -2.741 122 HE1 PHE 17 HE1 PHE 17 -3.348 3.601 -6.015 123 HE2 PHE 17 HE2 PHE 17 -2.253 -0.474 -5.150 124 HZ PHE 17 HZ PHE 17 -2.656 1.341 -6.799 125 H PHE 18 H PHE 18 0.591 2.822 -0.967 126 HA PHE 18 HA PHE 18 1.176 0.379 -2.162 127 1HB PHE 18 1HB PHE 18 3.420 0.816 -1.921 128 2HB PHE 18 2HB PHE 18 2.684 2.401 -1.949 129 HD1 PHE 18 HD1 PHE 18 3.063 3.990 -0.175 130 HD2 PHE 18 HD2 PHE 18 4.347 -0.106 0.175 131 HE1 PHE 18 HE1 PHE 18 4.705 4.627 1.592 132 HE2 PHE 18 HE2 PHE 18 5.866 0.520 2.029 133 HZ PHE 18 HZ PHE 18 6.060 2.899 2.722 134 HA PRO 19 HA PRO 19 2.188 -1.586 2.098 135 1HB PRO 19 1HB PRO 19 0.528 -1.028 4.253 136 2HB PRO 19 2HB PRO 19 2.133 -0.297 3.948 137 1HG PRO 19 1HG PRO 19 -0.592 0.806 3.208 138 2HG PRO 19 2HG PRO 19 0.769 1.656 4.014 139 1HD PRO 19 1HD PRO 19 0.375 1.957 1.416 140 2HD PRO 19 2HD PRO 19 2.033 1.708 2.012 141 H VAL 20 H VAL 20 -0.914 -1.132 0.591 142 HA VAL 20 HA VAL 20 -2.418 -3.312 1.615 143 HB VAL 20 HB VAL 20 -2.100 -1.928 -1.090 144 1HG1 VAL 20 1HG1 VAL 20 -3.921 -4.287 -0.570 145 2HG1 VAL 20 2HG1 VAL 20 -4.108 -3.117 -1.919 146 3HG1 VAL 20 3HG1 VAL 20 -2.673 -4.107 -1.824 147 1HG2 VAL 20 1HG2 VAL 20 -4.355 -1.088 -0.606 148 2HG2 VAL 20 2HG2 VAL 20 -4.455 -2.095 0.853 149 3HG2 VAL 20 3HG2 VAL 20 -3.302 -0.747 0.770 150 H HIS 21 H HIS 21 -0.173 -3.273 -1.117 151 HA HIS 21 HA HIS 21 -0.300 -5.991 -1.791 152 1HB HIS 21 1HB HIS 21 1.665 -3.735 -2.071 153 2HB HIS 21 2HB HIS 21 1.988 -5.307 -2.833 154 HD1 HIS 21 HD1 HIS 21 0.031 -5.955 -4.768 155 HD2 HIS 21 HD2 HIS 21 0.059 -2.065 -3.139 156 HE1 HIS 21 HE1 HIS 21 -1.444 -4.492 -6.303 157 H LEU 22 H LEU 22 1.861 -4.267 0.440 158 HA LEU 22 HA LEU 22 3.442 -6.642 1.001 159 1HB LEU 22 1HB LEU 22 3.303 -3.939 2.354 160 2HB LEU 22 2HB LEU 22 4.451 -5.206 2.724 161 HG LEU 22 HG LEU 22 5.813 -4.084 1.305 162 1HD1 LEU 22 1HD1 LEU 22 4.173 -5.349 -0.955 163 2HD1 LEU 22 2HD1 LEU 22 5.853 -4.832 -1.016 164 3HD1 LEU 22 3HD1 LEU 22 5.396 -6.204 0.002 165 1HD2 LEU 22 1HD2 LEU 22 3.441 -3.066 -0.297 166 2HD2 LEU 22 2HD2 LEU 22 4.213 -2.221 1.066 167 3HD2 LEU 22 3HD2 LEU 22 5.124 -2.526 -0.421 168 H LYS 23 H LYS 23 0.745 -4.966 2.734 169 HA LYS 23 HA LYS 23 0.895 -6.817 4.951 170 1HB LYS 23 1HB LYS 23 -0.343 -4.596 4.932 171 2HB LYS 23 2HB LYS 23 -1.601 -5.367 3.947 172 1HG LYS 23 1HG LYS 23 -2.026 -7.002 5.775 173 2HG LYS 23 2HG LYS 23 -0.649 -6.363 6.675 174 1HD LYS 23 1HD LYS 23 -2.515 -5.405 7.738 175 2HD LYS 23 2HD LYS 23 -1.835 -4.120 6.752 176 1HE LYS 23 1HE LYS 23 -4.177 -3.967 6.456 177 2HE LYS 23 2HE LYS 23 -3.566 -4.693 4.964 178 1HZ LYS 23 1HZ LYS 23 -4.817 -6.149 7.223 179 2HZ LYS 23 2HZ LYS 23 -5.530 -5.834 5.780 180 3HZ LYS 23 3HZ LYS 23 -4.244 -6.858 5.855 181 H ARG 24 H ARG 24 -0.488 -6.882 1.719 182 HA ARG 24 HA ARG 24 -1.901 -9.376 2.035 183 1HB ARG 24 1HB ARG 24 -2.399 -7.742 0.221 184 2HB ARG 24 2HB ARG 24 -0.814 -8.016 -0.450 185 1HG ARG 24 1HG ARG 24 -1.889 -10.611 -0.395 186 2HG ARG 24 2HG ARG 24 -3.287 -9.611 -0.683 187 1HD ARG 24 1HD ARG 24 -2.263 -10.363 -2.788 188 2HD ARG 24 2HD ARG 24 -2.249 -8.609 -2.649 189 HE ARG 24 HE ARG 24 -0.057 -8.718 -3.118 190 1HH1 ARG 24 1HH1 ARG 24 -0.337 -11.470 -0.861 191 2HH1 ARG 24 2HH1 ARG 24 1.007 -12.293 -1.556 192 1HH2 ARG 24 1HH2 ARG 24 1.385 -9.958 -4.174 193 2HH2 ARG 24 2HH2 ARG 24 2.213 -11.259 -3.390 194 H LEU 25 H LEU 25 1.465 -8.572 1.123 195 HA LEU 25 HA LEU 25 2.285 -11.232 0.538 196 1HB LEU 25 1HB LEU 25 3.511 -9.044 0.136 197 2HB LEU 25 2HB LEU 25 4.003 -9.063 1.823 198 HG LEU 25 HG LEU 25 4.615 -11.342 -0.103 199 1HD1 LEU 25 1HD1 LEU 25 6.843 -10.317 -0.373 200 2HD1 LEU 25 2HD1 LEU 25 5.577 -9.231 -0.957 201 3HD1 LEU 25 3HD1 LEU 25 6.344 -8.933 0.620 202 1HD2 LEU 25 1HD2 LEU 25 4.940 -12.041 2.222 203 2HD2 LEU 25 2HD2 LEU 25 6.515 -11.756 1.512 204 3HD2 LEU 25 3HD2 LEU 25 5.815 -10.540 2.598 205 H LEU 26 H LEU 26 2.354 -9.345 3.577 206 HA LEU 26 HA LEU 26 3.232 -11.397 5.300 207 1HB LEU 26 1HB LEU 26 3.163 -9.050 5.895 208 2HB LEU 26 2HB LEU 26 1.405 -9.029 5.898 209 HG LEU 26 HG LEU 26 2.801 -11.026 7.690 210 1HD1 LEU 26 1HD1 LEU 26 4.071 -8.962 8.068 211 2HD1 LEU 26 2HD1 LEU 26 2.564 -8.051 8.324 212 3HD1 LEU 26 3HD1 LEU 26 3.055 -9.327 9.462 213 1HD2 LEU 26 1HD2 LEU 26 0.311 -9.274 8.050 214 2HD2 LEU 26 2HD2 LEU 26 0.320 -11.016 7.695 215 3HD2 LEU 26 3HD2 LEU 26 0.932 -10.443 9.234 216 H ILE 27 H ILE 27 -0.173 -10.536 4.481 217 HA ILE 27 HA ILE 27 -1.370 -12.567 6.054 218 HB ILE 27 HB ILE 27 -2.264 -11.054 3.584 219 1HG1 ILE 27 1HG1 ILE 27 -3.331 -11.025 6.448 220 2HG1 ILE 27 2HG1 ILE 27 -2.008 -9.995 5.943 221 1HG2 ILE 27 1HG2 ILE 27 -3.932 -13.072 5.154 222 2HG2 ILE 27 2HG2 ILE 27 -4.573 -11.946 3.936 223 3HG2 ILE 27 3HG2 ILE 27 -3.453 -13.208 3.455 224 1HD1 ILE 27 1HD1 ILE 27 -3.459 -8.932 4.223 225 2HD1 ILE 27 2HD1 ILE 27 -4.831 -9.905 4.808 226 3HD1 ILE 27 3HD1 ILE 27 -4.060 -8.735 5.884 227 H LEU 28 H LEU 28 -0.173 -12.715 2.639 228 HA LEU 28 HA LEU 28 -0.851 -15.489 2.278 229 1HB LEU 28 1HB LEU 28 -0.268 -13.780 0.542 230 2HB LEU 28 2HB LEU 28 1.424 -13.989 0.992 231 HG LEU 28 HG LEU 28 0.700 -15.247 -0.951 232 1HD1 LEU 28 1HD1 LEU 28 2.537 -16.065 0.650 233 2HD1 LEU 28 2HD1 LEU 28 1.389 -17.342 1.094 234 3HD1 LEU 28 3HD1 LEU 28 1.902 -17.200 -0.580 235 1HD2 LEU 28 1HD2 LEU 28 -0.918 -17.095 0.868 236 2HD2 LEU 28 2HD2 LEU 28 -1.653 -15.856 -0.151 237 3HD2 LEU 28 3HD2 LEU 28 -0.751 -17.211 -0.876 238 H LEU 29 H LEU 29 2.203 -14.027 3.418 239 HA LEU 29 HA LEU 29 3.547 -16.452 3.943 240 1HB LEU 29 1HB LEU 29 4.622 -14.288 4.034 241 2HB LEU 29 2HB LEU 29 3.695 -13.799 5.444 242 HG LEU 29 HG LEU 29 5.388 -16.296 5.659 243 1HD1 LEU 29 1HD1 LEU 29 7.362 -14.938 6.248 244 2HD1 LEU 29 2HD1 LEU 29 6.886 -14.691 4.566 245 3HD1 LEU 29 3HD1 LEU 29 6.493 -13.457 5.787 246 1HD2 LEU 29 1HD2 LEU 29 5.744 -15.447 7.973 247 2HD2 LEU 29 2HD2 LEU 29 4.781 -14.000 7.601 248 3HD2 LEU 29 3HD2 LEU 29 4.028 -15.605 7.635 249 H LEU 30 H LEU 30 1.170 -14.794 6.021 250 HA LEU 30 HA LEU 30 1.302 -16.694 8.172 251 1HB LEU 30 1HB LEU 30 0.405 -14.388 8.348 252 2HB LEU 30 2HB LEU 30 -0.921 -14.834 7.293 253 HG LEU 30 HG LEU 30 -1.752 -16.474 8.964 254 1HD1 LEU 30 1HD1 LEU 30 0.316 -17.041 10.160 255 2HD1 LEU 30 2HD1 LEU 30 0.493 -15.361 10.718 256 3HD1 LEU 30 3HD1 LEU 30 -0.854 -16.371 11.293 257 1HD2 LEU 30 1HD2 LEU 30 -2.592 -14.807 10.557 258 2HD2 LEU 30 2HD2 LEU 30 -1.340 -13.654 10.041 259 3HD2 LEU 30 3HD2 LEU 30 -2.611 -14.171 8.905 260 H LEU 31 H LEU 31 -0.842 -16.389 5.328 261 HA LEU 31 HA LEU 31 -1.745 -19.160 5.659 262 1HB LEU 31 1HB LEU 31 -3.400 -17.601 6.689 263 2HB LEU 31 2HB LEU 31 -3.506 -16.737 5.152 264 HG LEU 31 HG LEU 31 -4.361 -18.840 4.071 265 1HD1 LEU 31 1HD1 LEU 31 -4.399 -19.901 6.934 266 2HD1 LEU 31 2HD1 LEU 31 -5.223 -20.658 5.554 267 3HD1 LEU 31 3HD1 LEU 31 -3.463 -20.563 5.578 268 1HD2 LEU 31 1HD2 LEU 31 -6.610 -18.710 5.064 269 2HD2 LEU 31 2HD2 LEU 31 -5.948 -17.872 6.485 270 3HD2 LEU 31 3HD2 LEU 31 -5.900 -17.099 4.883 271 1HN NH2 32 1HN NH2 32 -0.081 -19.486 4.088 272 2HN NH2 32 2HN NH2 32 -0.456 -19.201 2.402 Start of MODEL 4 1 1H SER 1 1H SER 1 -20.184 16.535 1.603 2 2H SER 1 2H SER 1 -20.661 17.662 2.709 3 3H SER 1 3H SER 1 -21.292 17.662 1.158 4 HA SER 1 HA SER 1 -19.578 19.384 1.489 5 1HB SER 1 1HB SER 1 -17.206 18.371 1.561 6 2HB SER 1 2HB SER 1 -18.162 18.201 3.039 7 HG SER 1 HG SER 1 -17.315 16.290 1.223 8 HA PRO 2 HA PRO 2 -18.465 18.156 -2.892 9 1HB PRO 2 1HB PRO 2 -15.930 19.201 -3.145 10 2HB PRO 2 2HB PRO 2 -17.405 20.204 -3.288 11 1HG PRO 2 1HG PRO 2 -15.643 19.791 -0.848 12 2HG PRO 2 2HG PRO 2 -16.206 21.343 -1.552 13 1HD PRO 2 1HD PRO 2 -17.493 20.204 0.541 14 2HD PRO 2 2HD PRO 2 -18.407 21.009 -0.761 15 HA PRO 3 HA PRO 3 -15.963 14.587 -1.794 16 1HB PRO 3 1HB PRO 3 -14.347 14.092 -3.964 17 2HB PRO 3 2HB PRO 3 -16.113 13.800 -3.967 18 1HG PRO 3 1HG PRO 3 -14.626 16.236 -4.999 19 2HG PRO 3 2HG PRO 3 -15.892 15.276 -5.834 20 1HD PRO 3 1HD PRO 3 -16.501 17.572 -4.537 21 2HD PRO 3 2HD PRO 3 -17.602 16.166 -4.453 22 H ASP 4 H ASP 4 -13.594 13.825 -1.549 23 HA ASP 4 HA ASP 4 -11.978 16.022 -0.501 24 1HB ASP 4 1HB ASP 4 -11.114 14.327 0.974 25 2HB ASP 4 2HB ASP 4 -12.873 14.183 0.993 26 H TYR 5 H TYR 5 -9.561 14.620 -0.390 27 HA TYR 5 HA TYR 5 -8.765 14.306 -3.210 28 1HB TYR 5 1HB TYR 5 -6.816 15.696 -2.566 29 2HB TYR 5 2HB TYR 5 -8.340 16.546 -2.567 30 HD1 TYR 5 HD1 TYR 5 -9.201 17.578 -0.562 31 HD2 TYR 5 HD2 TYR 5 -5.693 15.070 -0.378 32 HE1 TYR 5 HE1 TYR 5 -8.762 18.373 1.734 33 HE2 TYR 5 HE2 TYR 5 -5.252 15.860 1.931 34 HH TYR 5 HH TYR 5 -7.367 18.200 3.603 35 H SER 6 H SER 6 -9.169 12.218 -0.917 36 HA SER 6 HA SER 6 -6.723 11.350 0.067 37 1HB SER 6 1HB SER 6 -9.210 9.735 -0.578 38 2HB SER 6 2HB SER 6 -7.869 9.191 0.451 39 HG SER 6 HG SER 6 -9.729 11.261 0.838 40 H ALA 7 H ALA 7 -6.943 11.578 -3.133 41 HA ALA 7 HA ALA 7 -5.855 8.967 -3.983 42 1HB ALA 7 1HB ALA 7 -7.250 10.259 -5.561 43 2HB ALA 7 2HB ALA 7 -6.126 11.634 -5.452 44 3HB ALA 7 3HB ALA 7 -5.591 10.098 -6.171 45 H ALA 8 H ALA 8 -4.383 9.176 -2.160 46 HA ALA 8 HA ALA 8 -2.567 10.921 -1.440 47 1HB ALA 8 1HB ALA 8 -2.058 7.928 -1.662 48 2HB ALA 8 2HB ALA 8 -1.198 9.036 -0.580 49 3HB ALA 8 3HB ALA 8 -2.932 8.759 -0.354 50 HA PRO 9 HA PRO 9 0.313 11.876 -4.515 51 1HB PRO 9 1HB PRO 9 2.653 12.432 -3.115 52 2HB PRO 9 2HB PRO 9 1.227 13.505 -3.218 53 1HG PRO 9 1HG PRO 9 1.923 11.546 -1.013 54 2HG PRO 9 2HG PRO 9 1.363 13.241 -0.860 55 1HD PRO 9 1HD PRO 9 -0.339 11.157 -0.582 56 2HD PRO 9 2HD PRO 9 -0.858 12.644 -1.433 57 H ARG 10 H ARG 10 2.004 11.114 -5.797 58 HA ARG 10 HA ARG 10 3.717 9.002 -5.133 59 1HB ARG 10 1HB ARG 10 2.764 7.444 -6.948 60 2HB ARG 10 2HB ARG 10 2.151 7.373 -5.322 61 1HG ARG 10 1HG ARG 10 0.564 7.140 -7.337 62 2HG ARG 10 2HG ARG 10 0.052 7.957 -5.888 63 1HD ARG 10 1HD ARG 10 1.093 9.767 -8.025 64 2HD ARG 10 2HD ARG 10 -0.349 8.841 -8.428 65 HE ARG 10 HE ARG 10 -0.944 9.789 -5.928 66 1HH1 ARG 10 1HH1 ARG 10 0.036 11.436 -8.902 67 2HH1 ARG 10 2HH1 ARG 10 -1.048 12.769 -8.696 68 1HH2 ARG 10 1HH2 ARG 10 -2.430 11.526 -5.650 69 2HH2 ARG 10 2HH2 ARG 10 -2.444 12.839 -6.740 70 H GLY 11 H GLY 11 5.109 8.520 -7.027 71 1HA GLY 11 1HA GLY 11 6.387 9.180 -8.772 72 2HA GLY 11 2HA GLY 11 5.056 10.172 -9.391 73 H ARG 12 H ARG 12 5.581 11.144 -6.260 74 HA ARG 12 HA ARG 12 7.951 12.680 -6.344 75 1HB ARG 12 1HB ARG 12 5.281 14.187 -6.526 76 2HB ARG 12 2HB ARG 12 6.769 14.862 -5.855 77 1HG ARG 12 1HG ARG 12 7.866 14.248 -8.122 78 2HG ARG 12 2HG ARG 12 6.201 14.085 -8.724 79 1HD ARG 12 1HD ARG 12 5.736 16.424 -8.109 80 2HD ARG 12 2HD ARG 12 7.360 16.573 -7.399 81 HE ARG 12 HE ARG 12 7.466 15.685 -10.126 82 1HH1 ARG 12 1HH1 ARG 12 7.087 18.630 -8.178 83 2HH1 ARG 12 2HH1 ARG 12 7.727 19.695 -9.371 84 1HH2 ARG 12 1HH2 ARG 12 8.321 17.102 -11.747 85 2HH2 ARG 12 2HH2 ARG 12 8.438 18.792 -11.465 86 H PHE 13 H PHE 13 8.437 11.939 -4.451 87 HA PHE 13 HA PHE 13 8.208 10.918 -2.344 88 1HB PHE 13 1HB PHE 13 7.832 13.904 -2.033 89 2HB PHE 13 2HB PHE 13 8.459 12.814 -0.797 90 HD1 PHE 13 HD1 PHE 13 9.317 14.921 -3.588 91 HD2 PHE 13 HD2 PHE 13 10.611 11.454 -1.361 92 HE1 PHE 13 HE1 PHE 13 11.605 15.160 -4.526 93 HE2 PHE 13 HE2 PHE 13 12.888 11.705 -2.308 94 HZ PHE 13 HZ PHE 13 13.387 13.550 -3.893 95 H GLY 14 H GLY 14 6.170 9.627 -2.469 96 1HA GLY 14 1HA GLY 14 4.249 10.598 -0.539 97 2HA GLY 14 2HA GLY 14 3.619 10.441 -2.186 98 H ILE 15 H ILE 15 2.488 8.929 -0.293 99 HA ILE 15 HA ILE 15 3.561 6.149 -0.493 100 HB ILE 15 HB ILE 15 2.388 7.678 1.844 101 1HG1 ILE 15 1HG1 ILE 15 4.556 6.311 2.820 102 2HG1 ILE 15 2HG1 ILE 15 5.091 6.564 1.167 103 1HG2 ILE 15 1HG2 ILE 15 2.632 4.670 1.558 104 2HG2 ILE 15 2HG2 ILE 15 2.476 5.511 3.119 105 3HG2 ILE 15 3HG2 ILE 15 1.199 5.623 1.922 106 1HD1 ILE 15 1HD1 ILE 15 4.175 8.729 3.119 107 2HD1 ILE 15 2HD1 ILE 15 5.854 8.345 2.693 108 3HD1 ILE 15 3HD1 ILE 15 4.770 9.027 1.470 109 HA PRO 16 HA PRO 16 -0.671 6.131 -2.181 110 1HB PRO 16 1HB PRO 16 -0.305 4.226 -4.118 111 2HB PRO 16 2HB PRO 16 0.189 5.928 -4.349 112 1HG PRO 16 1HG PRO 16 1.918 3.590 -3.496 113 2HG PRO 16 2HG PRO 16 2.253 4.800 -4.773 114 1HD PRO 16 1HD PRO 16 3.275 5.015 -2.248 115 2HD PRO 16 2HD PRO 16 2.799 6.460 -3.179 116 H PHE 17 H PHE 17 -1.804 3.651 -2.604 117 HA PHE 17 HA PHE 17 -1.909 2.370 -0.076 118 1HB PHE 17 1HB PHE 17 -3.369 0.760 -1.331 119 2HB PHE 17 2HB PHE 17 -3.802 2.441 -1.531 120 HD1 PHE 17 HD1 PHE 17 -3.918 3.453 -3.698 121 HD2 PHE 17 HD2 PHE 17 -2.063 -0.424 -3.241 122 HE1 PHE 17 HE1 PHE 17 -3.760 3.227 -6.159 123 HE2 PHE 17 HE2 PHE 17 -1.901 -0.630 -5.701 124 HZ PHE 17 HZ PHE 17 -2.745 1.192 -7.165 125 H PHE 18 H PHE 18 0.885 2.270 -1.359 126 HA PHE 18 HA PHE 18 1.455 -0.223 -2.488 127 1HB PHE 18 1HB PHE 18 3.712 0.258 -2.295 128 2HB PHE 18 2HB PHE 18 2.960 1.827 -2.391 129 HD1 PHE 18 HD1 PHE 18 4.667 -0.574 -0.175 130 HD2 PHE 18 HD2 PHE 18 3.280 3.484 -0.628 131 HE1 PHE 18 HE1 PHE 18 6.075 0.115 1.740 132 HE2 PHE 18 HE2 PHE 18 4.786 4.174 1.234 133 HZ PHE 18 HZ PHE 18 6.140 2.499 2.437 134 HA PRO 19 HA PRO 19 2.529 -1.977 1.854 135 1HB PRO 19 1HB PRO 19 0.855 -1.361 3.979 136 2HB PRO 19 2HB PRO 19 2.446 -0.612 3.645 137 1HG PRO 19 1HG PRO 19 -0.299 0.406 2.853 138 2HG PRO 19 2HG PRO 19 1.043 1.314 3.630 139 1HD PRO 19 1HD PRO 19 0.668 1.510 1.024 140 2HD PRO 19 2HD PRO 19 2.323 1.292 1.638 141 H VAL 20 H VAL 20 -0.620 -1.598 0.391 142 HA VAL 20 HA VAL 20 -2.047 -3.776 1.508 143 HB VAL 20 HB VAL 20 -1.885 -2.446 -1.230 144 1HG1 VAL 20 1HG1 VAL 20 -3.905 -3.669 -1.947 145 2HG1 VAL 20 2HG1 VAL 20 -2.458 -4.652 -1.881 146 3HG1 VAL 20 3HG1 VAL 20 -3.660 -4.801 -0.580 147 1HG2 VAL 20 1HG2 VAL 20 -4.123 -2.579 0.844 148 2HG2 VAL 20 2HG2 VAL 20 -2.996 -1.220 0.639 149 3HG2 VAL 20 3HG2 VAL 20 -4.129 -1.626 -0.654 150 H HIS 21 H HIS 21 0.172 -3.730 -1.287 151 HA HIS 21 HA HIS 21 -0.048 -6.491 -1.899 152 1HB HIS 21 1HB HIS 21 1.839 -4.218 -2.422 153 2HB HIS 21 2HB HIS 21 2.286 -5.830 -2.994 154 HD1 HIS 21 HD1 HIS 21 -1.378 -5.550 -3.581 155 HD2 HIS 21 HD2 HIS 21 2.169 -3.984 -5.256 156 HE1 HIS 21 HE1 HIS 21 -1.972 -4.715 -5.903 157 H LEU 22 H LEU 22 2.131 -4.751 0.259 158 HA LEU 22 HA LEU 22 3.809 -7.043 0.852 159 1HB LEU 22 1HB LEU 22 3.486 -4.323 2.202 160 2HB LEU 22 2HB LEU 22 4.632 -5.548 2.686 161 HG LEU 22 HG LEU 22 5.955 -4.154 1.449 162 1HD1 LEU 22 1HD1 LEU 22 6.641 -5.280 -0.575 163 2HD1 LEU 22 2HD1 LEU 22 6.160 -6.508 0.608 164 3HD1 LEU 22 3HD1 LEU 22 5.075 -6.085 -0.742 165 1HD2 LEU 22 1HD2 LEU 22 5.439 -3.068 -0.641 166 2HD2 LEU 22 2HD2 LEU 22 3.882 -3.896 -0.767 167 3HD2 LEU 22 3HD2 LEU 22 4.168 -2.719 0.532 168 H LYS 23 H LYS 23 1.156 -5.344 2.703 169 HA LYS 23 HA LYS 23 1.279 -7.250 4.830 170 1HB LYS 23 1HB LYS 23 0.121 -4.971 4.862 171 2HB LYS 23 2HB LYS 23 -1.219 -5.725 3.977 172 1HG LYS 23 1HG LYS 23 -1.478 -7.378 5.848 173 2HG LYS 23 2HG LYS 23 -0.115 -6.622 6.688 174 1HD LYS 23 1HD LYS 23 -1.429 -4.473 6.743 175 2HD LYS 23 2HD LYS 23 -2.815 -5.335 6.067 176 1HE LYS 23 1HE LYS 23 -1.391 -5.988 8.698 177 2HE LYS 23 2HE LYS 23 -2.890 -5.068 8.562 178 1HZ LYS 23 1HZ LYS 23 -3.304 -7.362 9.129 179 2HZ LYS 23 2HZ LYS 23 -3.963 -7.031 7.665 180 3HZ LYS 23 3HZ LYS 23 -2.565 -7.899 7.767 181 H ARG 24 H ARG 24 -0.212 -7.376 1.633 182 HA ARG 24 HA ARG 24 -1.845 -9.691 2.105 183 1HB ARG 24 1HB ARG 24 -2.280 -8.386 0.197 184 2HB ARG 24 2HB ARG 24 -0.631 -8.409 -0.355 185 1HG ARG 24 1HG ARG 24 -2.498 -10.822 -0.369 186 2HG ARG 24 2HG ARG 24 -2.247 -9.725 -1.716 187 1HD ARG 24 1HD ARG 24 -0.392 -11.845 -0.669 188 2HD ARG 24 2HD ARG 24 -0.947 -11.528 -2.307 189 HE ARG 24 HE ARG 24 0.686 -9.373 -1.220 190 1HH1 ARG 24 1HH1 ARG 24 0.938 -12.526 -2.824 191 2HH1 ARG 24 2HH1 ARG 24 2.549 -12.276 -3.377 192 1HH2 ARG 24 1HH2 ARG 24 2.743 -9.029 -1.856 193 2HH2 ARG 24 2HH2 ARG 24 3.633 -10.165 -2.829 194 H LEU 25 H LEU 25 1.652 -9.341 1.463 195 HA LEU 25 HA LEU 25 2.053 -12.157 0.958 196 1HB LEU 25 1HB LEU 25 3.662 -10.254 0.374 197 2HB LEU 25 2HB LEU 25 4.036 -10.128 2.081 198 HG LEU 25 HG LEU 25 4.876 -12.450 2.130 199 1HD1 LEU 25 1HD1 LEU 25 4.317 -12.430 -0.878 200 2HD1 LEU 25 2HD1 LEU 25 5.323 -13.624 -0.033 201 3HD1 LEU 25 3HD1 LEU 25 3.611 -13.531 0.339 202 1HD2 LEU 25 1HD2 LEU 25 6.113 -10.723 -0.065 203 2HD2 LEU 25 2HD2 LEU 25 6.400 -10.562 1.684 204 3HD2 LEU 25 3HD2 LEU 25 6.926 -12.019 0.839 205 H LEU 26 H LEU 26 2.285 -10.015 3.755 206 HA LEU 26 HA LEU 26 3.013 -12.014 5.668 207 1HB LEU 26 1HB LEU 26 3.234 -9.615 6.123 208 2HB LEU 26 2HB LEU 26 1.479 -9.419 6.079 209 HG LEU 26 HG LEU 26 1.242 -10.852 8.088 210 1HD1 LEU 26 1HD1 LEU 26 3.275 -11.423 9.427 211 2HD1 LEU 26 2HD1 LEU 26 3.210 -12.310 7.910 212 3HD1 LEU 26 3HD1 LEU 26 4.302 -10.913 8.069 213 1HD2 LEU 26 1HD2 LEU 26 1.462 -8.408 8.301 214 2HD2 LEU 26 2HD2 LEU 26 2.177 -9.249 9.687 215 3HD2 LEU 26 3HD2 LEU 26 3.229 -8.572 8.429 216 H ILE 27 H ILE 27 -0.251 -10.876 4.679 217 HA ILE 27 HA ILE 27 -1.718 -12.548 6.469 218 HB ILE 27 HB ILE 27 -2.403 -11.256 3.805 219 1HG1 ILE 27 1HG1 ILE 27 -3.470 -10.623 6.594 220 2HG1 ILE 27 2HG1 ILE 27 -1.990 -9.898 6.004 221 1HG2 ILE 27 1HG2 ILE 27 -3.874 -13.221 4.011 222 2HG2 ILE 27 2HG2 ILE 27 -4.297 -12.766 5.667 223 3HG2 ILE 27 3HG2 ILE 27 -4.807 -11.762 4.291 224 1HD1 ILE 27 1HD1 ILE 27 -3.217 -8.925 4.061 225 2HD1 ILE 27 2HD1 ILE 27 -4.736 -9.563 4.731 226 3HD1 ILE 27 3HD1 ILE 27 -3.813 -8.353 5.629 227 H LEU 28 H LEU 28 -0.556 -13.132 3.083 228 HA LEU 28 HA LEU 28 -1.520 -15.817 2.921 229 1HB LEU 28 1HB LEU 28 -0.682 -14.312 1.086 230 2HB LEU 28 2HB LEU 28 0.956 -14.704 1.602 231 HG LEU 28 HG LEU 28 0.142 -15.990 -0.288 232 1HD1 LEU 28 1HD1 LEU 28 0.457 -18.015 1.915 233 2HD1 LEU 28 2HD1 LEU 28 1.035 -18.065 0.256 234 3HD1 LEU 28 3HD1 LEU 28 1.792 -16.950 1.428 235 1HD2 LEU 28 1HD2 LEU 28 -1.795 -17.453 1.569 236 2HD2 LEU 28 2HD2 LEU 28 -2.295 -16.202 0.426 237 3HD2 LEU 28 3HD2 LEU 28 -1.572 -17.721 -0.154 238 H LEU 29 H LEU 29 1.680 -14.646 4.030 239 HA LEU 29 HA LEU 29 2.694 -17.171 4.722 240 1HB LEU 29 1HB LEU 29 4.034 -15.096 4.725 241 2HB LEU 29 2HB LEU 29 3.129 -14.498 6.118 242 HG LEU 29 HG LEU 29 4.040 -16.323 7.530 243 1HD1 LEU 29 1HD1 LEU 29 4.458 -18.076 5.855 244 2HD1 LEU 29 2HD1 LEU 29 5.664 -17.051 5.038 245 3HD1 LEU 29 3HD1 LEU 29 5.960 -17.672 6.679 246 1HD2 LEU 29 1HD2 LEU 29 6.326 -15.453 7.655 247 2HD2 LEU 29 2HD2 LEU 29 6.161 -14.719 6.044 248 3HD2 LEU 29 3HD2 LEU 29 5.168 -14.141 7.405 249 H LEU 30 H LEU 30 0.451 -15.155 6.624 250 HA LEU 30 HA LEU 30 0.415 -16.947 8.901 251 1HB LEU 30 1HB LEU 30 -0.236 -14.554 8.996 252 2HB LEU 30 2HB LEU 30 -1.605 -14.897 7.955 253 HG LEU 30 HG LEU 30 -2.593 -16.392 9.673 254 1HD1 LEU 30 1HD1 LEU 30 -1.680 -16.322 11.999 255 2HD1 LEU 30 2HD1 LEU 30 -0.598 -17.146 10.883 256 3HD1 LEU 30 3HD1 LEU 30 -0.233 -15.481 11.393 257 1HD2 LEU 30 1HD2 LEU 30 -3.212 -14.018 9.562 258 2HD2 LEU 30 2HD2 LEU 30 -3.249 -14.615 11.227 259 3HD2 LEU 30 3HD2 LEU 30 -1.888 -13.607 10.683 260 H LEU 31 H LEU 31 -1.667 -16.512 6.030 261 HA LEU 31 HA LEU 31 -2.855 -19.164 6.433 262 1HB LEU 31 1HB LEU 31 -4.349 -17.460 7.457 263 2HB LEU 31 2HB LEU 31 -4.373 -16.579 5.927 264 HG LEU 31 HG LEU 31 -5.448 -18.566 4.833 265 1HD1 LEU 31 1HD1 LEU 31 -4.711 -20.391 6.305 266 2HD1 LEU 31 2HD1 LEU 31 -5.566 -19.663 7.680 267 3HD1 LEU 31 3HD1 LEU 31 -6.472 -20.312 6.296 268 1HD2 LEU 31 1HD2 LEU 31 -6.910 -17.482 7.277 269 2HD2 LEU 31 2HD2 LEU 31 -6.796 -16.692 5.687 270 3HD2 LEU 31 3HD2 LEU 31 -7.663 -18.226 5.848 271 1HN NH2 32 1HN NH2 32 -1.299 -19.717 4.823 272 2HN NH2 32 2HN NH2 32 -1.682 -19.410 3.143 Start of MODEL 5 1 1H SER 1 1H SER 1 -10.050 26.043 -4.110 2 2H SER 1 2H SER 1 -9.415 26.022 -5.657 3 3H SER 1 3H SER 1 -9.741 24.616 -4.877 4 HA SER 1 HA SER 1 -7.728 26.512 -3.945 5 1HB SER 1 1HB SER 1 -7.078 24.417 -2.598 6 2HB SER 1 2HB SER 1 -8.630 25.147 -2.163 7 HG SER 1 HG SER 1 -8.062 22.738 -3.435 8 HA PRO 2 HA PRO 2 -5.047 23.874 -6.748 9 1HB PRO 2 1HB PRO 2 -2.992 23.168 -5.037 10 2HB PRO 2 2HB PRO 2 -3.071 24.753 -5.866 11 1HG PRO 2 1HG PRO 2 -3.969 24.050 -3.052 12 2HG PRO 2 2HG PRO 2 -2.921 25.412 -3.569 13 1HD PRO 2 1HD PRO 2 -5.564 25.784 -3.143 14 2HD PRO 2 2HD PRO 2 -4.748 26.584 -4.508 15 HA PRO 3 HA PRO 3 -6.474 19.865 -5.313 16 1HB PRO 3 1HB PRO 3 -4.429 18.083 -5.838 17 2HB PRO 3 2HB PRO 3 -5.486 18.786 -7.101 18 1HG PRO 3 1HG PRO 3 -2.739 19.733 -6.220 19 2HG PRO 3 2HG PRO 3 -3.329 19.449 -7.891 20 1HD PRO 3 1HD PRO 3 -3.294 21.929 -6.835 21 2HD PRO 3 2HD PRO 3 -4.679 21.408 -7.836 22 H ASP 4 H ASP 4 -5.936 18.013 -3.638 23 HA ASP 4 HA ASP 4 -4.986 19.363 -1.284 24 1HB ASP 4 1HB ASP 4 -6.234 17.711 -0.150 25 2HB ASP 4 2HB ASP 4 -7.223 18.042 -1.569 26 H TYR 5 H TYR 5 -3.994 18.046 0.188 27 HA TYR 5 HA TYR 5 -2.117 15.899 -0.491 28 1HB TYR 5 1HB TYR 5 -0.572 17.112 1.112 29 2HB TYR 5 2HB TYR 5 -0.728 17.822 -0.488 30 HD1 TYR 5 HD1 TYR 5 -1.683 20.042 -0.784 31 HD2 TYR 5 HD2 TYR 5 -1.654 18.181 3.112 32 HE1 TYR 5 HE1 TYR 5 -2.287 22.202 0.244 33 HE2 TYR 5 HE2 TYR 5 -2.273 20.346 4.150 34 HH TYR 5 HH TYR 5 -2.623 23.356 2.255 35 H SER 6 H SER 6 -4.920 16.526 0.946 36 HA SER 6 HA SER 6 -4.542 15.921 3.737 37 1HB SER 6 1HB SER 6 -7.036 15.510 2.039 38 2HB SER 6 2HB SER 6 -6.942 15.840 3.780 39 HG SER 6 HG SER 6 -7.517 17.699 2.590 40 H ALA 7 H ALA 7 -5.055 14.225 0.757 41 HA ALA 7 HA ALA 7 -5.051 11.550 2.100 42 1HB ALA 7 1HB ALA 7 -6.696 11.728 0.300 43 2HB ALA 7 2HB ALA 7 -5.482 12.361 -0.819 44 3HB ALA 7 3HB ALA 7 -5.364 10.685 -0.243 45 H ALA 8 H ALA 8 -3.118 10.430 2.064 46 HA ALA 8 HA ALA 8 -0.781 11.681 2.218 47 1HB ALA 8 1HB ALA 8 0.344 9.488 1.910 48 2HB ALA 8 2HB ALA 8 -1.131 9.337 2.888 49 3HB ALA 8 3HB ALA 8 -1.130 8.839 1.175 50 HA PRO 9 HA PRO 9 0.529 13.190 -1.665 51 1HB PRO 9 1HB PRO 9 3.331 12.933 -1.468 52 2HB PRO 9 2HB PRO 9 2.330 14.286 -0.867 53 1HG PRO 9 1HG PRO 9 3.371 11.903 0.665 54 2HG PRO 9 2HG PRO 9 3.258 13.608 1.189 55 1HD PRO 9 1HD PRO 9 1.457 11.739 1.969 56 2HD PRO 9 2HD PRO 9 0.930 13.409 1.594 57 H ARG 10 H ARG 10 0.758 12.367 -3.704 58 HA ARG 10 HA ARG 10 1.553 9.528 -3.951 59 1HB ARG 10 1HB ARG 10 -0.452 9.144 -5.347 60 2HB ARG 10 2HB ARG 10 -0.795 9.395 -3.650 61 1HG ARG 10 1HG ARG 10 -1.104 11.650 -5.676 62 2HG ARG 10 2HG ARG 10 -2.340 10.428 -5.438 63 1HD ARG 10 1HD ARG 10 -2.557 11.065 -3.046 64 2HD ARG 10 2HD ARG 10 -1.389 12.377 -3.295 65 HE ARG 10 HE ARG 10 -3.442 12.539 -5.242 66 1HH1 ARG 10 1HH1 ARG 10 -3.095 13.266 -1.670 67 2HH1 ARG 10 2HH1 ARG 10 -4.417 14.364 -1.750 68 1HH2 ARG 10 1HH2 ARG 10 -5.212 14.012 -5.138 69 2HH2 ARG 10 2HH2 ARG 10 -5.578 14.753 -3.622 70 H GLY 11 H GLY 11 2.563 9.026 -5.805 71 1HA GLY 11 1HA GLY 11 3.609 9.220 -7.819 72 2HA GLY 11 2HA GLY 11 2.407 10.444 -8.251 73 H ARG 12 H ARG 12 4.096 11.484 -5.494 74 HA ARG 12 HA ARG 12 6.404 12.650 -6.652 75 1HB ARG 12 1HB ARG 12 4.020 14.447 -5.925 76 2HB ARG 12 2HB ARG 12 5.702 14.989 -6.001 77 1HG ARG 12 1HG ARG 12 5.754 14.130 -8.411 78 2HG ARG 12 2HG ARG 12 3.989 13.966 -8.294 79 1HD ARG 12 1HD ARG 12 3.759 16.363 -7.854 80 2HD ARG 12 2HD ARG 12 5.530 16.549 -7.843 81 HE ARG 12 HE ARG 12 4.651 15.310 -10.258 82 1HH1 ARG 12 1HH1 ARG 12 4.791 18.490 -8.717 83 2HH1 ARG 12 2HH1 ARG 12 4.891 19.393 -10.182 84 1HH2 ARG 12 1HH2 ARG 12 4.781 16.488 -12.259 85 2HH2 ARG 12 2HH2 ARG 12 4.872 18.204 -12.262 86 H PHE 13 H PHE 13 7.511 12.006 -5.070 87 HA PHE 13 HA PHE 13 8.239 11.188 -3.008 88 1HB PHE 13 1HB PHE 13 7.762 14.150 -2.723 89 2HB PHE 13 2HB PHE 13 8.856 13.217 -1.692 90 HD1 PHE 13 HD1 PHE 13 8.587 15.191 -4.661 91 HD2 PHE 13 HD2 PHE 13 10.775 11.891 -2.938 92 HE1 PHE 13 HE1 PHE 13 10.412 15.529 -6.310 93 HE2 PHE 13 HE2 PHE 13 12.587 12.238 -4.592 94 HZ PHE 13 HZ PHE 13 12.409 14.051 -6.280 95 H GLY 14 H GLY 14 6.359 9.788 -2.386 96 1HA GLY 14 1HA GLY 14 5.249 10.582 0.119 97 2HA GLY 14 2HA GLY 14 4.074 10.709 -1.194 98 H ILE 15 H ILE 15 3.049 9.057 0.245 99 HA ILE 15 HA ILE 15 4.118 6.264 0.050 100 HB ILE 15 HB ILE 15 2.540 7.729 2.179 101 1HG1 ILE 15 1HG1 ILE 15 5.253 6.329 2.193 102 2HG1 ILE 15 2HG1 ILE 15 4.977 8.063 2.215 103 1HG2 ILE 15 1HG2 ILE 15 3.009 4.731 1.952 104 2HG2 ILE 15 2HG2 ILE 15 2.449 5.554 3.425 105 3HG2 ILE 15 3HG2 ILE 15 1.464 5.570 1.983 106 1HD1 ILE 15 1HD1 ILE 15 4.354 6.121 4.457 107 2HD1 ILE 15 2HD1 ILE 15 5.534 7.435 4.428 108 3HD1 ILE 15 3HD1 ILE 15 3.801 7.816 4.427 109 HA PRO 16 HA PRO 16 0.217 6.142 -2.303 110 1HB PRO 16 1HB PRO 16 0.925 4.241 -4.139 111 2HB PRO 16 2HB PRO 16 1.472 5.935 -4.290 112 1HG PRO 16 1HG PRO 16 2.990 3.592 -3.101 113 2HG PRO 16 2HG PRO 16 3.562 4.768 -4.327 114 1HD PRO 16 1HD PRO 16 4.118 5.046 -1.666 115 2HD PRO 16 2HD PRO 16 3.826 6.465 -2.714 116 H PHE 17 H PHE 17 -0.749 3.627 -2.912 117 HA PHE 17 HA PHE 17 -1.278 2.330 -0.436 118 1HB PHE 17 1HB PHE 17 -2.457 0.710 -1.961 119 2HB PHE 17 2HB PHE 17 -2.895 2.384 -2.196 120 HD1 PHE 17 HD1 PHE 17 -0.834 -0.412 -3.653 121 HD2 PHE 17 HD2 PHE 17 -2.625 3.470 -4.320 122 HE1 PHE 17 HE1 PHE 17 -0.236 -0.540 -6.037 123 HE2 PHE 17 HE2 PHE 17 -2.022 3.319 -6.719 124 HZ PHE 17 HZ PHE 17 -0.820 1.321 -7.582 125 H PHE 18 H PHE 18 1.703 2.312 -1.183 126 HA PHE 18 HA PHE 18 2.511 -0.135 -2.263 127 1HB PHE 18 1HB PHE 18 4.691 0.340 -1.638 128 2HB PHE 18 2HB PHE 18 3.958 1.912 -1.796 129 HD1 PHE 18 HD1 PHE 18 4.035 3.507 0.031 130 HD2 PHE 18 HD2 PHE 18 5.167 -0.616 0.618 131 HE1 PHE 18 HE1 PHE 18 5.125 4.078 2.201 132 HE2 PHE 18 HE2 PHE 18 6.168 -0.035 2.803 133 HZ PHE 18 HZ PHE 18 6.149 2.321 3.592 134 HA PRO 19 HA PRO 19 2.897 -2.045 2.085 135 1HB PRO 19 1HB PRO 19 1.155 -1.442 4.113 136 2HB PRO 19 2HB PRO 19 2.709 -0.598 3.835 137 1HG PRO 19 1HG PRO 19 -0.052 0.242 2.894 138 2HG PRO 19 2HG PRO 19 1.167 1.230 3.769 139 1HD PRO 19 1HD PRO 19 0.946 1.392 1.125 140 2HD PRO 19 2HD PRO 19 2.559 1.354 1.876 141 H VAL 20 H VAL 20 -0.046 -1.572 0.322 142 HA VAL 20 HA VAL 20 -1.726 -3.615 1.303 143 HB VAL 20 HB VAL 20 -1.122 -2.397 -1.429 144 1HG1 VAL 20 1HG1 VAL 20 -3.132 -3.515 -2.360 145 2HG1 VAL 20 2HG1 VAL 20 -1.740 -4.541 -2.151 146 3HG1 VAL 20 3HG1 VAL 20 -3.066 -4.656 -0.972 147 1HG2 VAL 20 1HG2 VAL 20 -2.387 -1.046 0.243 148 2HG2 VAL 20 2HG2 VAL 20 -3.377 -1.436 -1.168 149 3HG2 VAL 20 3HG2 VAL 20 -3.610 -2.333 0.346 150 H HIS 21 H HIS 21 0.643 -3.864 -1.301 151 HA HIS 21 HA HIS 21 0.356 -6.579 -1.837 152 1HB HIS 21 1HB HIS 21 2.612 -4.606 -2.041 153 2HB HIS 21 2HB HIS 21 2.662 -6.150 -2.904 154 HD1 HIS 21 HD1 HIS 21 0.431 -6.167 -4.890 155 HD2 HIS 21 HD2 HIS 21 1.676 -2.569 -3.066 156 HE1 HIS 21 HE1 HIS 21 -0.602 -4.270 -6.234 157 H LEU 22 H LEU 22 2.594 -4.958 0.321 158 HA LEU 22 HA LEU 22 4.011 -7.280 1.241 159 1HB LEU 22 1HB LEU 22 3.686 -4.501 2.461 160 2HB LEU 22 2HB LEU 22 4.764 -5.738 3.051 161 HG LEU 22 HG LEU 22 6.246 -4.495 1.872 162 1HD1 LEU 22 1HD1 LEU 22 6.322 -6.811 0.927 163 2HD1 LEU 22 2HD1 LEU 22 5.291 -6.265 -0.422 164 3HD1 LEU 22 3HD1 LEU 22 6.901 -5.569 -0.196 165 1HD2 LEU 22 1HD2 LEU 22 4.252 -3.987 -0.369 166 2HD2 LEU 22 2HD2 LEU 22 4.627 -2.881 0.971 167 3HD2 LEU 22 3HD2 LEU 22 5.875 -3.302 -0.202 168 H LYS 23 H LYS 23 1.262 -5.383 2.771 169 HA LYS 23 HA LYS 23 1.173 -7.217 4.977 170 1HB LYS 23 1HB LYS 23 0.129 -4.949 5.055 171 2HB LYS 23 2HB LYS 23 -1.034 -5.450 3.826 172 1HG LYS 23 1HG LYS 23 -2.138 -5.545 5.961 173 2HG LYS 23 2HG LYS 23 -1.918 -7.187 5.394 174 1HD LYS 23 1HD LYS 23 0.341 -6.938 6.923 175 2HD LYS 23 2HD LYS 23 -0.680 -5.772 7.740 176 1HE LYS 23 1HE LYS 23 -1.312 -8.717 7.205 177 2HE LYS 23 2HE LYS 23 -0.768 -8.048 8.744 178 1HZ LYS 23 1HZ LYS 23 -3.136 -8.382 8.729 179 2HZ LYS 23 2HZ LYS 23 -2.816 -6.781 8.867 180 3HZ LYS 23 3HZ LYS 23 -3.336 -7.400 7.430 181 H ARG 24 H ARG 24 -0.133 -7.309 1.705 182 HA ARG 24 HA ARG 24 -1.855 -9.574 2.122 183 1HB ARG 24 1HB ARG 24 -2.265 -8.174 0.270 184 2HB ARG 24 2HB ARG 24 -0.627 -8.272 -0.316 185 1HG ARG 24 1HG ARG 24 -1.918 -10.941 -0.256 186 2HG ARG 24 2HG ARG 24 -2.843 -9.765 -1.165 187 1HD ARG 24 1HD ARG 24 -1.277 -10.945 -2.633 188 2HD ARG 24 2HD ARG 24 -0.966 -9.219 -2.584 189 HE ARG 24 HE ARG 24 1.011 -9.529 -1.352 190 1HH1 ARG 24 1HH1 ARG 24 -0.480 -12.693 -1.955 191 2HH1 ARG 24 2HH1 ARG 24 1.000 -13.571 -1.982 192 1HH2 ARG 24 1HH2 ARG 24 2.997 -10.656 -1.447 193 2HH2 ARG 24 2HH2 ARG 24 3.050 -12.367 -1.668 194 H LEU 25 H LEU 25 1.644 -9.254 1.564 195 HA LEU 25 HA LEU 25 2.106 -12.054 1.038 196 1HB LEU 25 1HB LEU 25 3.696 -10.042 0.698 197 2HB LEU 25 2HB LEU 25 4.049 -10.145 2.414 198 HG LEU 25 HG LEU 25 4.396 -12.510 0.530 199 1HD1 LEU 25 1HD1 LEU 25 5.763 -10.613 -0.272 200 2HD1 LEU 25 2HD1 LEU 25 6.461 -10.423 1.352 201 3HD1 LEU 25 3HD1 LEU 25 6.779 -11.889 0.407 202 1HD2 LEU 25 1HD2 LEU 25 4.438 -13.231 2.866 203 2HD2 LEU 25 2HD2 LEU 25 6.083 -13.228 2.266 204 3HD2 LEU 25 3HD2 LEU 25 5.533 -11.901 3.305 205 H LEU 26 H LEU 26 2.145 -10.020 3.985 206 HA LEU 26 HA LEU 26 2.668 -12.192 5.761 207 1HB LEU 26 1HB LEU 26 3.035 -9.846 6.361 208 2HB LEU 26 2HB LEU 26 1.297 -9.534 6.303 209 HG LEU 26 HG LEU 26 0.920 -11.028 8.222 210 1HD1 LEU 26 1HD1 LEU 26 2.710 -12.689 7.973 211 2HD1 LEU 26 2HD1 LEU 26 3.954 -11.437 8.195 212 3HD1 LEU 26 3HD1 LEU 26 2.878 -11.897 9.532 213 1HD2 LEU 26 1HD2 LEU 26 1.999 -9.649 9.929 214 2HD2 LEU 26 2HD2 LEU 26 3.169 -9.042 8.743 215 3HD2 LEU 26 3HD2 LEU 26 1.449 -8.628 8.589 216 H ILE 27 H ILE 27 -0.465 -10.864 4.613 217 HA ILE 27 HA ILE 27 -2.127 -12.513 6.256 218 HB ILE 27 HB ILE 27 -2.562 -11.175 3.563 219 1HG1 ILE 27 1HG1 ILE 27 -3.819 -10.590 6.283 220 2HG1 ILE 27 2HG1 ILE 27 -2.313 -9.854 5.783 221 1HG2 ILE 27 1HG2 ILE 27 -4.635 -12.685 5.223 222 2HG2 ILE 27 2HG2 ILE 27 -5.004 -11.654 3.823 223 3HG2 ILE 27 3HG2 ILE 27 -4.071 -13.125 3.604 224 1HD1 ILE 27 1HD1 ILE 27 -4.985 -9.492 4.375 225 2HD1 ILE 27 2HD1 ILE 27 -4.123 -8.306 5.360 226 3HD1 ILE 27 3HD1 ILE 27 -3.432 -8.831 3.812 227 H LEU 28 H LEU 28 -0.720 -13.095 2.965 228 HA LEU 28 HA LEU 28 -1.792 -15.742 2.698 229 1HB LEU 28 1HB LEU 28 -0.834 -14.220 0.929 230 2HB LEU 28 2HB LEU 28 0.767 -14.677 1.500 231 HG LEU 28 HG LEU 28 -0.013 -15.892 -0.448 232 1HD1 LEU 28 1HD1 LEU 28 0.792 -18.009 0.077 233 2HD1 LEU 28 2HD1 LEU 28 1.540 -16.946 1.304 234 3HD1 LEU 28 3HD1 LEU 28 0.154 -17.978 1.712 235 1HD2 LEU 28 1HD2 LEU 28 -2.053 -17.351 1.295 236 2HD2 LEU 28 2HD2 LEU 28 -2.488 -16.043 0.193 237 3HD2 LEU 28 3HD2 LEU 28 -1.792 -17.561 -0.428 238 H LEU 29 H LEU 29 1.369 -14.661 3.957 239 HA LEU 29 HA LEU 29 2.328 -17.212 4.634 240 1HB LEU 29 1HB LEU 29 3.671 -15.127 4.751 241 2HB LEU 29 2HB LEU 29 2.718 -14.587 6.135 242 HG LEU 29 HG LEU 29 3.582 -16.470 7.500 243 1HD1 LEU 29 1HD1 LEU 29 5.285 -17.097 5.033 244 2HD1 LEU 29 2HD1 LEU 29 5.530 -17.784 6.655 245 3HD1 LEU 29 3HD1 LEU 29 4.055 -18.153 5.771 246 1HD2 LEU 29 1HD2 LEU 29 5.746 -14.800 6.152 247 2HD2 LEU 29 2HD2 LEU 29 4.714 -14.289 7.510 248 3HD2 LEU 29 3HD2 LEU 29 5.868 -15.609 7.730 249 H LEU 30 H LEU 30 0.024 -15.221 6.491 250 HA LEU 30 HA LEU 30 -0.128 -17.100 8.701 251 1HB LEU 30 1HB LEU 30 -0.672 -14.681 8.870 252 2HB LEU 30 2HB LEU 30 -2.031 -14.926 7.788 253 HG LEU 30 HG LEU 30 -3.131 -16.420 9.431 254 1HD1 LEU 30 1HD1 LEU 30 -1.212 -17.347 10.638 255 2HD1 LEU 30 2HD1 LEU 30 -0.748 -15.732 11.222 256 3HD1 LEU 30 3HD1 LEU 30 -2.256 -16.501 11.774 257 1HD2 LEU 30 1HD2 LEU 30 -2.277 -13.732 10.581 258 2HD2 LEU 30 2HD2 LEU 30 -3.602 -14.007 9.419 259 3HD2 LEU 30 3HD2 LEU 30 -3.708 -14.676 11.054 260 H LEU 31 H LEU 31 -2.069 -16.468 5.780 261 HA LEU 31 HA LEU 31 -3.481 -19.023 6.093 262 1HB LEU 31 1HB LEU 31 -4.873 -17.132 6.945 263 2HB LEU 31 2HB LEU 31 -4.697 -16.333 5.380 264 HG LEU 31 HG LEU 31 -5.867 -18.292 4.301 265 1HD1 LEU 31 1HD1 LEU 31 -7.181 -19.817 5.769 266 2HD1 LEU 31 2HD1 LEU 31 -5.446 -20.059 5.963 267 3HD1 LEU 31 3HD1 LEU 31 -6.351 -19.151 7.191 268 1HD2 LEU 31 1HD2 LEU 31 -8.110 -17.656 5.088 269 2HD2 LEU 31 2HD2 LEU 31 -7.403 -16.882 6.524 270 3HD2 LEU 31 3HD2 LEU 31 -7.076 -16.234 4.899 271 1HN NH2 32 1HN NH2 32 -1.730 -19.659 4.661 272 2HN NH2 32 2HN NH2 32 -1.974 -19.424 2.944 Start of MODEL 6 1 1H SER 1 1H SER 1 -8.922 22.499 3.015 2 2H SER 1 2H SER 1 -7.835 21.270 2.884 3 3H SER 1 3H SER 1 -7.513 22.698 2.123 4 HA SER 1 HA SER 1 -9.183 22.320 0.545 5 1HB SER 1 1HB SER 1 -8.532 19.858 -0.080 6 2HB SER 1 2HB SER 1 -7.277 21.100 -0.081 7 HG SER 1 HG SER 1 -7.176 18.876 1.093 8 HA PRO 2 HA PRO 2 -12.660 19.428 1.923 9 1HB PRO 2 1HB PRO 2 -12.532 17.446 -0.065 10 2HB PRO 2 2HB PRO 2 -13.478 18.960 -0.176 11 1HG PRO 2 1HG PRO 2 -10.705 18.377 -1.249 12 2HG PRO 2 2HG PRO 2 -12.083 19.147 -2.099 13 1HD PRO 2 1HD PRO 2 -10.141 20.662 -1.053 14 2HD PRO 2 2HD PRO 2 -11.837 21.149 -0.845 15 HA PRO 3 HA PRO 3 -10.077 16.262 3.844 16 1HB PRO 3 1HB PRO 3 -11.615 14.025 4.138 17 2HB PRO 3 2HB PRO 3 -11.966 15.557 4.981 18 1HG PRO 3 1HG PRO 3 -13.177 14.575 2.373 19 2HG PRO 3 2HG PRO 3 -14.038 15.140 3.843 20 1HD PRO 3 1HD PRO 3 -13.561 16.804 1.762 21 2HD PRO 3 2HD PRO 3 -13.430 17.394 3.442 22 H ASP 4 H ASP 4 -9.260 16.619 1.260 23 HA ASP 4 HA ASP 4 -9.284 14.148 -0.301 24 1HB ASP 4 1HB ASP 4 -8.212 15.537 -2.008 25 2HB ASP 4 2HB ASP 4 -9.687 16.274 -1.416 26 H TYR 5 H TYR 5 -7.840 14.395 2.311 27 HA TYR 5 HA TYR 5 -5.019 14.471 1.933 28 1HB TYR 5 1HB TYR 5 -4.867 13.370 4.087 29 2HB TYR 5 2HB TYR 5 -6.135 14.583 4.142 30 HD1 TYR 5 HD1 TYR 5 -5.420 10.928 4.049 31 HD2 TYR 5 HD2 TYR 5 -8.488 13.938 4.464 32 HE1 TYR 5 HE1 TYR 5 -7.055 9.180 4.706 33 HE2 TYR 5 HE2 TYR 5 -10.113 12.208 5.108 34 HH TYR 5 HH TYR 5 -10.473 9.926 5.433 35 H SER 6 H SER 6 -7.308 12.069 1.005 36 HA SER 6 HA SER 6 -5.511 9.787 0.894 37 1HB SER 6 1HB SER 6 -8.181 10.351 -0.452 38 2HB SER 6 2HB SER 6 -7.349 8.783 -0.442 39 HG SER 6 HG SER 6 -7.980 10.172 1.960 40 H ALA 7 H ALA 7 -5.594 12.655 -0.989 41 HA ALA 7 HA ALA 7 -4.814 11.546 -3.537 42 1HB ALA 7 1HB ALA 7 -5.948 13.744 -3.257 43 2HB ALA 7 2HB ALA 7 -4.524 14.355 -2.386 44 3HB ALA 7 3HB ALA 7 -4.392 13.898 -4.096 45 H ALA 8 H ALA 8 -3.242 10.357 -1.505 46 HA ALA 8 HA ALA 8 -0.742 11.489 -0.942 47 1HB ALA 8 1HB ALA 8 -1.455 8.563 -1.389 48 2HB ALA 8 2HB ALA 8 0.011 9.167 -0.590 49 3HB ALA 8 3HB ALA 8 -1.578 9.457 0.145 50 HA PRO 9 HA PRO 9 0.526 11.676 -5.196 51 1HB PRO 9 1HB PRO 9 3.061 12.731 -4.966 52 2HB PRO 9 2HB PRO 9 1.554 13.667 -4.744 53 1HG PRO 9 1HG PRO 9 3.291 12.418 -2.600 54 2HG PRO 9 2HG PRO 9 2.609 14.071 -2.650 55 1HD PRO 9 1HD PRO 9 1.419 12.048 -1.255 56 2HD PRO 9 2HD PRO 9 0.447 13.293 -2.100 57 H ARG 10 H ARG 10 2.180 10.835 -6.664 58 HA ARG 10 HA ARG 10 3.717 8.542 -5.667 59 1HB ARG 10 1HB ARG 10 2.867 7.203 -7.693 60 2HB ARG 10 2HB ARG 10 1.903 7.305 -6.235 61 1HG ARG 10 1HG ARG 10 0.474 7.371 -8.131 62 2HG ARG 10 2HG ARG 10 0.354 8.884 -7.247 63 1HD ARG 10 1HD ARG 10 1.662 10.040 -8.963 64 2HD ARG 10 2HD ARG 10 1.981 8.499 -9.794 65 HE ARG 10 HE ARG 10 -0.835 9.057 -9.418 66 1HH1 ARG 10 1HH1 ARG 10 1.903 9.808 -11.529 67 2HH1 ARG 10 2HH1 ARG 10 0.954 10.118 -12.935 68 1HH2 ARG 10 1HH2 ARG 10 -2.149 9.499 -11.281 69 2HH2 ARG 10 2HH2 ARG 10 -1.429 9.953 -12.770 70 H GLY 11 H GLY 11 5.614 8.228 -6.784 71 1HA GLY 11 1HA GLY 11 7.367 8.753 -8.151 72 2HA GLY 11 2HA GLY 11 6.277 9.638 -9.231 73 H ARG 12 H ARG 12 5.857 10.825 -6.103 74 HA ARG 12 HA ARG 12 8.157 12.578 -5.932 75 1HB ARG 12 1HB ARG 12 5.346 13.719 -6.365 76 2HB ARG 12 2HB ARG 12 6.687 14.607 -5.640 77 1HG ARG 12 1HG ARG 12 8.008 14.207 -7.787 78 2HG ARG 12 2HG ARG 12 6.528 13.533 -8.482 79 1HD ARG 12 1HD ARG 12 6.692 15.801 -9.198 80 2HD ARG 12 2HD ARG 12 5.359 15.705 -8.033 81 HE ARG 12 HE ARG 12 7.640 16.370 -6.570 82 1HH1 ARG 12 1HH1 ARG 12 5.801 17.878 -9.199 83 2HH1 ARG 12 2HH1 ARG 12 6.211 19.497 -8.777 84 1HH2 ARG 12 1HH2 ARG 12 8.202 18.545 -5.976 85 2HH2 ARG 12 2HH2 ARG 12 7.618 19.875 -6.889 86 H PHE 13 H PHE 13 8.537 11.571 -4.043 87 HA PHE 13 HA PHE 13 8.126 10.545 -1.978 88 1HB PHE 13 1HB PHE 13 7.963 13.544 -1.629 89 2HB PHE 13 2HB PHE 13 8.459 12.390 -0.395 90 HD1 PHE 13 HD1 PHE 13 9.557 14.441 -3.155 91 HD2 PHE 13 HD2 PHE 13 10.553 10.925 -0.856 92 HE1 PHE 13 HE1 PHE 13 11.898 14.548 -3.988 93 HE2 PHE 13 HE2 PHE 13 12.883 11.047 -1.694 94 HZ PHE 13 HZ PHE 13 13.555 12.851 -3.261 95 H GLY 14 H GLY 14 5.991 9.426 -2.239 96 1HA GLY 14 1HA GLY 14 4.209 10.355 -0.183 97 2HA GLY 14 2HA GLY 14 3.478 10.328 -1.797 98 H ILE 15 H ILE 15 2.373 8.682 -0.018 99 HA ILE 15 HA ILE 15 3.394 5.905 -0.513 100 HB ILE 15 HB ILE 15 2.175 7.083 1.999 101 1HG1 ILE 15 1HG1 ILE 15 5.016 6.103 1.475 102 2HG1 ILE 15 2HG1 ILE 15 4.521 7.768 1.759 103 1HG2 ILE 15 1HG2 ILE 15 2.422 4.867 2.979 104 2HG2 ILE 15 2HG2 ILE 15 1.459 4.730 1.523 105 3HG2 ILE 15 3HG2 ILE 15 3.155 4.243 1.488 106 1HD1 ILE 15 1HD1 ILE 15 4.467 5.513 3.785 107 2HD1 ILE 15 2HD1 ILE 15 5.478 6.962 3.781 108 3HD1 ILE 15 3HD1 ILE 15 3.730 7.115 4.051 109 HA PRO 16 HA PRO 16 -0.906 6.175 -2.055 110 1HB PRO 16 1HB PRO 16 -0.566 4.663 -4.321 111 2HB PRO 16 2HB PRO 16 -0.121 6.394 -4.254 112 1HG PRO 16 1HG PRO 16 1.704 3.999 -3.840 113 2HG PRO 16 2HG PRO 16 1.952 5.386 -4.945 114 1HD PRO 16 1HD PRO 16 3.094 5.342 -2.496 115 2HD PRO 16 2HD PRO 16 2.419 6.858 -3.109 116 H PHE 17 H PHE 17 -1.936 3.720 -2.943 117 HA PHE 17 HA PHE 17 -2.052 2.157 -0.607 118 1HB PHE 17 1HB PHE 17 -3.432 0.648 -2.024 119 2HB PHE 17 2HB PHE 17 -3.885 2.331 -2.166 120 HD1 PHE 17 HD1 PHE 17 -2.088 -0.463 -3.908 121 HD2 PHE 17 HD2 PHE 17 -3.827 3.474 -4.291 122 HE1 PHE 17 HE1 PHE 17 -1.812 -0.574 -6.364 123 HE2 PHE 17 HE2 PHE 17 -3.552 3.345 -6.747 124 HZ PHE 17 HZ PHE 17 -2.539 1.326 -7.790 125 H PHE 18 H PHE 18 0.771 2.246 -1.857 126 HA PHE 18 HA PHE 18 1.371 -0.234 -3.082 127 1HB PHE 18 1HB PHE 18 3.623 0.291 -2.959 128 2HB PHE 18 2HB PHE 18 2.831 1.843 -3.032 129 HD1 PHE 18 HD1 PHE 18 4.472 -0.553 -0.661 130 HD2 PHE 18 HD2 PHE 18 3.475 3.535 -1.561 131 HE1 PHE 18 HE1 PHE 18 6.028 0.213 1.100 132 HE2 PHE 18 HE2 PHE 18 5.137 4.299 0.111 133 HZ PHE 18 HZ PHE 18 6.381 2.644 1.480 134 HA PRO 19 HA PRO 19 2.629 -1.950 1.178 135 1HB PRO 19 1HB PRO 19 1.225 -1.299 3.454 136 2HB PRO 19 2HB PRO 19 2.731 -0.499 2.910 137 1HG PRO 19 1HG PRO 19 -0.126 0.395 2.449 138 2HG PRO 19 2HG PRO 19 1.264 1.372 3.029 139 1HD PRO 19 1HD PRO 19 0.500 1.425 0.481 140 2HD PRO 19 2HD PRO 19 2.235 1.430 0.884 141 H VAL 20 H VAL 20 -0.569 -1.615 -0.112 142 HA VAL 20 HA VAL 20 -1.978 -3.691 1.207 143 HB VAL 20 HB VAL 20 -1.933 -2.545 -1.614 144 1HG1 VAL 20 1HG1 VAL 20 -2.568 -4.779 -2.086 145 2HG1 VAL 20 2HG1 VAL 20 -3.708 -4.819 -0.724 146 3HG1 VAL 20 3HG1 VAL 20 -4.002 -3.776 -2.150 147 1HG2 VAL 20 1HG2 VAL 20 -2.926 -1.175 0.218 148 2HG2 VAL 20 2HG2 VAL 20 -4.135 -1.649 -0.980 149 3HG2 VAL 20 3HG2 VAL 20 -4.059 -2.496 0.580 150 H HIS 21 H HIS 21 0.080 -3.873 -1.713 151 HA HIS 21 HA HIS 21 -0.185 -6.667 -2.096 152 1HB HIS 21 1HB HIS 21 1.690 -4.474 -2.906 153 2HB HIS 21 2HB HIS 21 2.097 -6.137 -3.347 154 HD1 HIS 21 HD1 HIS 21 -1.620 -5.688 -3.714 155 HD2 HIS 21 HD2 HIS 21 1.909 -4.741 -5.831 156 HE1 HIS 21 HE1 HIS 21 -2.312 -5.206 -6.108 157 H LEU 22 H LEU 22 2.099 -4.814 -0.179 158 HA LEU 22 HA LEU 22 3.804 -7.063 0.502 159 1HB LEU 22 1HB LEU 22 3.539 -4.242 1.645 160 2HB LEU 22 2HB LEU 22 4.708 -5.418 2.183 161 HG LEU 22 HG LEU 22 5.978 -4.151 0.777 162 1HD1 LEU 22 1HD1 LEU 22 4.997 -6.237 -1.220 163 2HD1 LEU 22 2HD1 LEU 22 6.573 -5.437 -1.175 164 3HD1 LEU 22 3HD1 LEU 22 6.133 -6.567 0.115 165 1HD2 LEU 22 1HD2 LEU 22 3.801 -4.043 -1.351 166 2HD2 LEU 22 2HD2 LEU 22 4.177 -2.770 -0.171 167 3HD2 LEU 22 3HD2 LEU 22 5.375 -3.238 -1.377 168 H LYS 23 H LYS 23 1.257 -5.228 2.352 169 HA LYS 23 HA LYS 23 1.410 -6.967 4.608 170 1HB LYS 23 1HB LYS 23 0.327 -4.759 4.697 171 2HB LYS 23 2HB LYS 23 -0.889 -5.277 3.531 172 1HG LYS 23 1HG LYS 23 -1.820 -5.233 5.776 173 2HG LYS 23 2HG LYS 23 -1.823 -6.871 5.138 174 1HD LYS 23 1HD LYS 23 0.248 -7.355 6.479 175 2HD LYS 23 2HD LYS 23 0.150 -5.741 7.184 176 1HE LYS 23 1HE LYS 23 -2.003 -7.910 7.363 177 2HE LYS 23 2HE LYS 23 -0.774 -7.628 8.595 178 1HZ LYS 23 1HZ LYS 23 -2.848 -5.679 7.795 179 2HZ LYS 23 2HZ LYS 23 -2.837 -6.570 9.172 180 3HZ LYS 23 3HZ LYS 23 -1.690 -5.424 8.942 181 H ARG 24 H ARG 24 -0.184 -7.302 1.487 182 HA ARG 24 HA ARG 24 -1.813 -9.572 2.150 183 1HB ARG 24 1HB ARG 24 -2.321 -8.336 0.208 184 2HB ARG 24 2HB ARG 24 -0.707 -8.436 -0.430 185 1HG ARG 24 1HG ARG 24 -2.645 -10.784 -0.224 186 2HG ARG 24 2HG ARG 24 -2.425 -9.765 -1.636 187 1HD ARG 24 1HD ARG 24 -0.599 -11.899 -0.575 188 2HD ARG 24 2HD ARG 24 -1.212 -11.635 -2.201 189 HE ARG 24 HE ARG 24 0.519 -9.476 -1.333 190 1HH1 ARG 24 1HH1 ARG 24 0.667 -12.781 -2.608 191 2HH1 ARG 24 2HH1 ARG 24 2.278 -12.635 -3.198 192 1HH2 ARG 24 1HH2 ARG 24 2.580 -9.256 -2.018 193 2HH2 ARG 24 2HH2 ARG 24 3.423 -10.506 -2.887 194 H LEU 25 H LEU 25 1.647 -9.276 1.317 195 HA LEU 25 HA LEU 25 2.049 -12.099 0.918 196 1HB LEU 25 1HB LEU 25 3.616 -10.180 0.262 197 2HB LEU 25 2HB LEU 25 4.069 -10.044 1.941 198 HG LEU 25 HG LEU 25 5.658 -11.271 0.492 199 1HD1 LEU 25 1HD1 LEU 25 4.679 -13.075 2.731 200 2HD1 LEU 25 2HD1 LEU 25 6.302 -12.943 2.058 201 3HD1 LEU 25 3HD1 LEU 25 5.629 -11.591 2.977 202 1HD2 LEU 25 1HD2 LEU 25 3.996 -12.507 -0.897 203 2HD2 LEU 25 2HD2 LEU 25 5.281 -13.530 -0.234 204 3HD2 LEU 25 3HD2 LEU 25 3.673 -13.574 0.497 205 H LEU 26 H LEU 26 2.345 -9.871 3.669 206 HA LEU 26 HA LEU 26 3.091 -11.871 5.577 207 1HB LEU 26 1HB LEU 26 3.431 -9.479 5.979 208 2HB LEU 26 2HB LEU 26 1.685 -9.214 6.014 209 HG LEU 26 HG LEU 26 1.486 -10.602 8.057 210 1HD1 LEU 26 1HD1 LEU 26 4.537 -10.805 7.897 211 2HD1 LEU 26 2HD1 LEU 26 3.550 -11.256 9.305 212 3HD1 LEU 26 3HD1 LEU 26 3.379 -12.153 7.803 213 1HD2 LEU 26 1HD2 LEU 26 3.596 -8.420 8.272 214 2HD2 LEU 26 2HD2 LEU 26 1.835 -8.170 8.233 215 3HD2 LEU 26 3HD2 LEU 26 2.578 -9.033 9.588 216 H ILE 27 H ILE 27 -0.169 -10.675 4.651 217 HA ILE 27 HA ILE 27 -1.627 -12.231 6.550 218 HB ILE 27 HB ILE 27 -2.348 -11.072 3.836 219 1HG1 ILE 27 1HG1 ILE 27 -3.338 -10.340 6.631 220 2HG1 ILE 27 2HG1 ILE 27 -1.912 -9.605 5.924 221 1HG2 ILE 27 1HG2 ILE 27 -4.229 -12.504 5.771 222 2HG2 ILE 27 2HG2 ILE 27 -4.743 -11.573 4.347 223 3HG2 ILE 27 3HG2 ILE 27 -3.807 -13.040 4.137 224 1HD1 ILE 27 1HD1 ILE 27 -4.733 -9.400 4.796 225 2HD1 ILE 27 2HD1 ILE 27 -3.807 -8.134 5.605 226 3HD1 ILE 27 3HD1 ILE 27 -3.270 -8.744 4.025 227 H LEU 28 H LEU 28 -0.574 -13.016 3.170 228 HA LEU 28 HA LEU 28 -1.601 -15.685 3.191 229 1HB LEU 28 1HB LEU 28 -0.830 -14.280 1.242 230 2HB LEU 28 2HB LEU 28 0.822 -14.692 1.688 231 HG LEU 28 HG LEU 28 -0.127 -16.041 -0.093 232 1HD1 LEU 28 1HD1 LEU 28 1.595 -16.967 1.571 233 2HD1 LEU 28 2HD1 LEU 28 0.265 -17.975 2.178 234 3HD1 LEU 28 3HD1 LEU 28 0.748 -18.112 0.493 235 1HD2 LEU 28 1HD2 LEU 28 -1.985 -17.374 1.934 236 2HD2 LEU 28 2HD2 LEU 28 -2.524 -16.156 0.775 237 3HD2 LEU 28 3HD2 LEU 28 -1.873 -17.715 0.212 238 H LEU 29 H LEU 29 1.653 -14.507 4.066 239 HA LEU 29 HA LEU 29 2.700 -17.005 4.825 240 1HB LEU 29 1HB LEU 29 4.007 -14.953 4.611 241 2HB LEU 29 2HB LEU 29 3.257 -14.256 6.042 242 HG LEU 29 HG LEU 29 4.670 -16.913 6.342 243 1HD1 LEU 29 1HD1 LEU 29 6.839 -15.779 6.630 244 2HD1 LEU 29 2HD1 LEU 29 6.237 -15.606 4.980 245 3HD1 LEU 29 3HD1 LEU 29 6.115 -14.238 6.113 246 1HD2 LEU 29 1HD2 LEU 29 4.556 -14.408 8.108 247 2HD2 LEU 29 2HD2 LEU 29 3.579 -15.870 8.341 248 3HD2 LEU 29 3HD2 LEU 29 5.324 -15.954 8.530 249 H LEU 30 H LEU 30 0.584 -14.879 6.759 250 HA LEU 30 HA LEU 30 0.657 -16.588 9.097 251 1HB LEU 30 1HB LEU 30 0.070 -14.176 9.144 252 2HB LEU 30 2HB LEU 30 -1.367 -14.521 8.199 253 HG LEU 30 HG LEU 30 -2.282 -15.928 10.030 254 1HD1 LEU 30 1HD1 LEU 30 -0.229 -16.684 11.143 255 2HD1 LEU 30 2HD1 LEU 30 0.195 -15.010 11.573 256 3HD1 LEU 30 3HD1 LEU 30 -1.229 -15.802 12.291 257 1HD2 LEU 30 1HD2 LEU 30 -2.849 -13.542 9.866 258 2HD2 LEU 30 2HD2 LEU 30 -2.805 -14.081 11.551 259 3HD2 LEU 30 3HD2 LEU 30 -1.453 -13.129 10.895 260 H LEU 31 H LEU 31 -1.587 -16.204 6.347 261 HA LEU 31 HA LEU 31 -2.831 -18.795 6.934 262 1HB LEU 31 1HB LEU 31 -4.205 -16.989 7.945 263 2HB LEU 31 2HB LEU 31 -4.277 -16.181 6.377 264 HG LEU 31 HG LEU 31 -5.499 -18.155 5.438 265 1HD1 LEU 31 1HD1 LEU 31 -6.492 -19.807 7.028 266 2HD1 LEU 31 2HD1 LEU 31 -4.739 -19.957 6.924 267 3HD1 LEU 31 3HD1 LEU 31 -5.472 -19.148 8.325 268 1HD2 LEU 31 1HD2 LEU 31 -6.715 -16.197 6.309 269 2HD2 LEU 31 2HD2 LEU 31 -7.630 -17.689 6.572 270 3HD2 LEU 31 3HD2 LEU 31 -6.761 -16.934 7.928 271 1HN NH2 32 1HN NH2 32 -1.337 -19.443 5.279 272 2HN NH2 32 2HN NH2 32 -1.811 -19.230 3.608 Start of MODEL 7 1 1H SER 1 1H SER 1 -17.931 8.794 -0.007 2 2H SER 1 2H SER 1 -17.734 8.297 1.578 3 3H SER 1 3H SER 1 -16.436 8.766 0.690 4 HA SER 1 HA SER 1 -18.035 6.422 0.020 5 1HB SER 1 1HB SER 1 -15.907 5.997 -1.376 6 2HB SER 1 2HB SER 1 -16.908 7.361 -1.895 7 HG SER 1 HG SER 1 -14.373 7.321 -0.805 8 HA PRO 2 HA PRO 2 -14.899 4.450 2.882 9 1HB PRO 2 1HB PRO 2 -13.935 2.376 1.350 10 2HB PRO 2 2HB PRO 2 -15.492 2.285 2.229 11 1HG PRO 2 1HG PRO 2 -15.026 3.000 -0.686 12 2HG PRO 2 2HG PRO 2 -16.190 1.812 -0.011 13 1HD PRO 2 1HD PRO 2 -16.971 4.320 -0.667 14 2HD PRO 2 2HD PRO 2 -17.611 3.520 0.791 15 HA PRO 3 HA PRO 3 -11.324 6.418 0.981 16 1HB PRO 3 1HB PRO 3 -9.165 5.087 2.006 17 2HB PRO 3 2HB PRO 3 -10.203 6.142 3.016 18 1HG PRO 3 1HG PRO 3 -10.344 3.124 2.713 19 2HG PRO 3 2HG PRO 3 -10.333 4.081 4.231 20 1HD PRO 3 1HD PRO 3 -12.641 3.172 3.105 21 2HD PRO 3 2HD PRO 3 -12.573 4.763 3.921 22 H ASP 4 H ASP 4 -9.684 6.068 -0.747 23 HA ASP 4 HA ASP 4 -9.785 3.460 -2.085 24 1HB ASP 4 1HB ASP 4 -9.885 4.588 -4.091 25 2HB ASP 4 2HB ASP 4 -11.029 5.493 -3.111 26 H TYR 5 H TYR 5 -7.681 4.560 -3.910 27 HA TYR 5 HA TYR 5 -5.377 3.995 -2.127 28 1HB TYR 5 1HB TYR 5 -4.296 3.227 -4.157 29 2HB TYR 5 2HB TYR 5 -5.744 2.305 -3.797 30 HD1 TYR 5 HD1 TYR 5 -7.588 2.238 -5.369 31 HD2 TYR 5 HD2 TYR 5 -4.274 4.928 -6.029 32 HE1 TYR 5 HE1 TYR 5 -8.400 2.668 -7.658 33 HE2 TYR 5 HE2 TYR 5 -5.089 5.363 -8.328 34 HH TYR 5 HH TYR 5 -8.128 4.027 -9.568 35 H SER 6 H SER 6 -6.814 6.702 -3.562 36 HA SER 6 HA SER 6 -4.519 7.977 -4.699 37 1HB SER 6 1HB SER 6 -7.238 9.062 -3.876 38 2HB SER 6 2HB SER 6 -6.045 9.882 -4.905 39 HG SER 6 HG SER 6 -7.577 7.565 -5.376 40 H ALA 7 H ALA 7 -3.590 7.200 -2.372 41 HA ALA 7 HA ALA 7 -3.612 9.293 -0.327 42 1HB ALA 7 1HB ALA 7 -1.882 7.853 0.740 43 2HB ALA 7 2HB ALA 7 -3.293 6.904 0.254 44 3HB ALA 7 3HB ALA 7 -1.817 6.857 -0.729 45 H ALA 8 H ALA 8 -0.868 9.482 0.213 46 HA ALA 8 HA ALA 8 -0.226 11.802 -1.057 47 1HB ALA 8 1HB ALA 8 1.662 9.781 0.196 48 2HB ALA 8 2HB ALA 8 2.096 11.468 -0.183 49 3HB ALA 8 3HB ALA 8 0.828 11.121 1.005 50 HA PRO 9 HA PRO 9 0.684 10.971 -5.153 51 1HB PRO 9 1HB PRO 9 2.438 12.935 -5.936 52 2HB PRO 9 2HB PRO 9 0.708 13.165 -5.587 53 1HG PRO 9 1HG PRO 9 3.024 13.600 -3.673 54 2HG PRO 9 2HG PRO 9 1.667 14.715 -4.044 55 1HD PRO 9 1HD PRO 9 1.592 13.106 -1.878 56 2HD PRO 9 2HD PRO 9 0.116 13.353 -2.863 57 H ARG 10 H ARG 10 1.638 9.606 -6.214 58 HA ARG 10 HA ARG 10 3.918 8.092 -5.349 59 1HB ARG 10 1HB ARG 10 3.674 6.923 -7.575 60 2HB ARG 10 2HB ARG 10 2.243 6.921 -6.552 61 1HG ARG 10 1HG ARG 10 1.221 8.715 -7.918 62 2HG ARG 10 2HG ARG 10 2.659 8.760 -8.955 63 1HD ARG 10 1HD ARG 10 2.247 6.480 -9.706 64 2HD ARG 10 2HD ARG 10 0.911 6.299 -8.547 65 HE ARG 10 HE ARG 10 0.319 8.535 -10.116 66 1HH1 ARG 10 1HH1 ARG 10 0.685 5.049 -10.663 67 2HH1 ARG 10 2HH1 ARG 10 -0.471 4.969 -11.938 68 1HH2 ARG 10 1HH2 ARG 10 -1.256 8.441 -11.822 69 2HH2 ARG 10 2HH2 ARG 10 -1.591 6.958 -12.611 70 H GLY 11 H GLY 11 6.019 8.165 -5.992 71 1HA GLY 11 1HA GLY 11 7.966 8.999 -6.927 72 2HA GLY 11 2HA GLY 11 6.990 9.655 -8.249 73 H ARG 12 H ARG 12 5.820 10.790 -5.265 74 HA ARG 12 HA ARG 12 7.571 13.190 -5.168 75 1HB ARG 12 1HB ARG 12 4.553 13.061 -5.531 76 2HB ARG 12 2HB ARG 12 5.361 14.488 -4.868 77 1HG ARG 12 1HG ARG 12 6.787 14.593 -6.913 78 2HG ARG 12 2HG ARG 12 5.858 13.242 -7.600 79 1HD ARG 12 1HD ARG 12 3.941 14.526 -7.930 80 2HD ARG 12 2HD ARG 12 4.367 15.671 -6.658 81 HE ARG 12 HE ARG 12 5.151 17.008 -8.226 82 1HH1 ARG 12 1HH1 ARG 12 5.979 13.765 -9.401 83 2HH1 ARG 12 2HH1 ARG 12 6.744 14.314 -10.845 84 1HH2 ARG 12 1HH2 ARG 12 6.170 17.760 -10.141 85 2HH2 ARG 12 2HH2 ARG 12 6.850 16.658 -11.268 86 H PHE 13 H PHE 13 8.315 11.614 -3.510 87 HA PHE 13 HA PHE 13 8.413 10.452 -1.633 88 1HB PHE 13 1HB PHE 13 7.484 13.189 -0.854 89 2HB PHE 13 2HB PHE 13 8.227 12.075 0.308 90 HD1 PHE 13 HD1 PHE 13 10.623 11.217 -0.240 91 HD2 PHE 13 HD2 PHE 13 8.818 14.636 -2.164 92 HE1 PHE 13 HE1 PHE 13 12.862 12.004 -0.961 93 HE2 PHE 13 HE2 PHE 13 11.065 15.411 -2.880 94 HZ PHE 13 HZ PHE 13 13.086 14.095 -2.283 95 H GLY 14 H GLY 14 5.428 10.528 -2.741 96 1HA GLY 14 1HA GLY 14 4.006 9.952 -0.271 97 2HA GLY 14 2HA GLY 14 3.349 10.084 -1.906 98 H ILE 15 H ILE 15 2.586 8.173 -0.090 99 HA ILE 15 HA ILE 15 3.655 5.541 -0.997 100 HB ILE 15 HB ILE 15 2.539 6.462 1.665 101 1HG1 ILE 15 1HG1 ILE 15 4.966 5.293 2.219 102 2HG1 ILE 15 2HG1 ILE 15 5.317 5.998 0.647 103 1HG2 ILE 15 1HG2 ILE 15 1.726 4.216 1.223 104 2HG2 ILE 15 2HG2 ILE 15 3.355 3.671 0.795 105 3HG2 ILE 15 3HG2 ILE 15 2.979 4.163 2.460 106 1HD1 ILE 15 1HD1 ILE 15 4.252 7.482 3.091 107 2HD1 ILE 15 2HD1 ILE 15 5.919 7.509 2.484 108 3HD1 ILE 15 3HD1 ILE 15 4.624 8.236 1.524 109 HA PRO 16 HA PRO 16 -0.748 5.700 -2.345 110 1HB PRO 16 1HB PRO 16 -0.490 4.364 -4.704 111 2HB PRO 16 2HB PRO 16 0.028 6.065 -4.541 112 1HG PRO 16 1HG PRO 16 1.770 3.580 -4.262 113 2HG PRO 16 2HG PRO 16 2.038 4.981 -5.345 114 1HD PRO 16 1HD PRO 16 3.226 4.847 -2.918 115 2HD PRO 16 2HD PRO 16 2.589 6.402 -3.516 116 H PHE 17 H PHE 17 -1.497 3.114 -3.548 117 HA PHE 17 HA PHE 17 -1.806 1.531 -1.273 118 1HB PHE 17 1HB PHE 17 -2.820 -0.097 -2.793 119 2HB PHE 17 2HB PHE 17 -3.323 1.517 -3.189 120 HD1 PHE 17 HD1 PHE 17 -2.646 2.575 -5.365 121 HD2 PHE 17 HD2 PHE 17 -1.321 -1.401 -4.302 122 HE1 PHE 17 HE1 PHE 17 -2.004 2.158 -7.701 123 HE2 PHE 17 HE2 PHE 17 -0.656 -1.793 -6.646 124 HZ PHE 17 HZ PHE 17 -0.997 -0.025 -8.357 125 H PHE 18 H PHE 18 1.190 1.830 -1.996 126 HA PHE 18 HA PHE 18 2.003 -0.824 -2.789 127 1HB PHE 18 1HB PHE 18 4.207 -0.293 -2.543 128 2HB PHE 18 2HB PHE 18 3.428 1.153 -3.128 129 HD1 PHE 18 HD1 PHE 18 4.391 3.089 -2.419 130 HD2 PHE 18 HD2 PHE 18 4.573 -0.352 0.177 131 HE1 PHE 18 HE1 PHE 18 5.883 4.321 -0.882 132 HE2 PHE 18 HE2 PHE 18 5.997 0.916 1.742 133 HZ PHE 18 HZ PHE 18 6.667 3.249 1.219 134 HA PRO 19 HA PRO 19 2.769 -1.796 1.758 135 1HB PRO 19 1HB PRO 19 1.336 -0.669 3.796 136 2HB PRO 19 2HB PRO 19 2.864 0.011 3.155 137 1HG PRO 19 1HG PRO 19 0.030 0.825 2.475 138 2HG PRO 19 2HG PRO 19 1.428 1.879 2.858 139 1HD PRO 19 1HD PRO 19 0.607 1.308 0.329 140 2HD PRO 19 2HD PRO 19 2.330 1.601 0.705 141 H VAL 20 H VAL 20 -0.402 -1.314 0.368 142 HA VAL 20 HA VAL 20 -1.901 -3.242 1.891 143 HB VAL 20 HB VAL 20 -2.061 -2.125 -0.933 144 1HG1 VAL 20 1HG1 VAL 20 -3.831 -4.296 0.152 145 2HG1 VAL 20 2HG1 VAL 20 -4.189 -3.272 -1.281 146 3HG1 VAL 20 3HG1 VAL 20 -2.805 -4.342 -1.292 147 1HG2 VAL 20 1HG2 VAL 20 -4.131 -1.103 -0.131 148 2HG2 VAL 20 2HG2 VAL 20 -3.945 -1.909 1.440 149 3HG2 VAL 20 3HG2 VAL 20 -2.785 -0.663 0.926 150 H HIS 21 H HIS 21 -0.069 -3.471 -1.168 151 HA HIS 21 HA HIS 21 -0.509 -6.226 -1.619 152 1HB HIS 21 1HB HIS 21 1.392 -4.098 -2.474 153 2HB HIS 21 2HB HIS 21 1.715 -5.768 -2.987 154 HD1 HIS 21 HD1 HIS 21 -1.861 -4.173 -3.046 155 HD2 HIS 21 HD2 HIS 21 1.397 -5.250 -5.502 156 HE1 HIS 21 HE1 HIS 21 -2.667 -3.973 -5.455 157 H LEU 22 H LEU 22 2.085 -4.546 0.176 158 HA LEU 22 HA LEU 22 3.571 -6.994 0.664 159 1HB LEU 22 1HB LEU 22 3.775 -4.176 1.798 160 2HB LEU 22 2HB LEU 22 4.785 -5.503 2.311 161 HG LEU 22 HG LEU 22 6.156 -4.446 0.812 162 1HD1 LEU 22 1HD1 LEU 22 6.484 -5.831 -1.137 163 2HD1 LEU 22 2HD1 LEU 22 5.970 -6.879 0.193 164 3HD1 LEU 22 3HD1 LEU 22 4.821 -6.423 -1.091 165 1HD2 LEU 22 1HD2 LEU 22 3.885 -4.121 -1.181 166 2HD2 LEU 22 2HD2 LEU 22 4.509 -2.867 -0.080 167 3HD2 LEU 22 3HD2 LEU 22 5.545 -3.530 -1.349 168 H LYS 23 H LYS 23 1.303 -4.986 2.727 169 HA LYS 23 HA LYS 23 1.585 -6.816 4.928 170 1HB LYS 23 1HB LYS 23 0.580 -4.527 5.104 171 2HB LYS 23 2HB LYS 23 -0.857 -5.113 4.243 172 1HG LYS 23 1HG LYS 23 -1.310 -6.734 6.033 173 2HG LYS 23 2HG LYS 23 0.223 -6.342 6.827 174 1HD LYS 23 1HD LYS 23 -0.599 -4.044 7.273 175 2HD LYS 23 2HD LYS 23 -2.150 -4.457 6.499 176 1HE LYS 23 1HE LYS 23 -2.505 -6.271 8.154 177 2HE LYS 23 2HE LYS 23 -0.940 -5.922 8.896 178 1HZ LYS 23 1HZ LYS 23 -3.250 -4.072 8.846 179 2HZ LYS 23 2HZ LYS 23 -2.739 -4.942 10.139 180 3HZ LYS 23 3HZ LYS 23 -1.787 -3.752 9.536 181 H ARG 24 H ARG 24 -0.252 -6.929 1.935 182 HA ARG 24 HA ARG 24 -1.873 -9.198 2.644 183 1HB ARG 24 1HB ARG 24 -2.598 -7.801 0.875 184 2HB ARG 24 2HB ARG 24 -1.087 -7.917 0.018 185 1HG ARG 24 1HG ARG 24 -2.360 -10.575 0.317 186 2HG ARG 24 2HG ARG 24 -3.421 -9.400 -0.426 187 1HD ARG 24 1HD ARG 24 -2.151 -10.580 -2.146 188 2HD ARG 24 2HD ARG 24 -1.794 -8.862 -2.144 189 HE ARG 24 HE ARG 24 0.362 -9.224 -1.352 190 1HH1 ARG 24 1HH1 ARG 24 -1.327 -12.343 -1.419 191 2HH1 ARG 24 2HH1 ARG 24 0.083 -13.296 -1.671 192 1HH2 ARG 24 1HH2 ARG 24 2.255 -10.461 -1.752 193 2HH2 ARG 24 2HH2 ARG 24 2.197 -12.183 -1.842 194 H LEU 25 H LEU 25 1.483 -8.865 1.546 195 HA LEU 25 HA LEU 25 1.857 -11.668 0.931 196 1HB LEU 25 1HB LEU 25 3.346 -9.638 0.313 197 2HB LEU 25 2HB LEU 25 4.003 -9.750 1.938 198 HG LEU 25 HG LEU 25 4.025 -12.076 -0.027 199 1HD1 LEU 25 1HD1 LEU 25 6.201 -10.015 0.529 200 2HD1 LEU 25 2HD1 LEU 25 6.360 -11.446 -0.505 201 3HD1 LEU 25 3HD1 LEU 25 5.254 -10.149 -0.968 202 1HD2 LEU 25 1HD2 LEU 25 5.570 -11.557 2.562 203 2HD2 LEU 25 2HD2 LEU 25 4.432 -12.884 2.237 204 3HD2 LEU 25 3HD2 LEU 25 5.971 -12.837 1.402 205 H LEU 26 H LEU 26 2.386 -9.612 3.820 206 HA LEU 26 HA LEU 26 3.208 -11.732 5.534 207 1HB LEU 26 1HB LEU 26 3.550 -9.359 6.067 208 2HB LEU 26 2HB LEU 26 1.807 -9.117 6.211 209 HG LEU 26 HG LEU 26 1.733 -10.649 8.165 210 1HD1 LEU 26 1HD1 LEU 26 3.875 -11.320 9.262 211 2HD1 LEU 26 2HD1 LEU 26 3.644 -12.128 7.718 212 3HD1 LEU 26 3HD1 LEU 26 4.773 -10.757 7.836 213 1HD2 LEU 26 1HD2 LEU 26 3.792 -8.420 8.407 214 2HD2 LEU 26 2HD2 LEU 26 2.024 -8.225 8.471 215 3HD2 LEU 26 3HD2 LEU 26 2.859 -9.142 9.733 216 H ILE 27 H ILE 27 -0.093 -10.447 4.918 217 HA ILE 27 HA ILE 27 -1.432 -12.154 6.759 218 HB ILE 27 HB ILE 27 -2.331 -10.788 4.201 219 1HG1 ILE 27 1HG1 ILE 27 -3.130 -10.231 7.096 220 2HG1 ILE 27 2HG1 ILE 27 -1.709 -9.496 6.380 221 1HG2 ILE 27 1HG2 ILE 27 -3.807 -12.740 4.466 222 2HG2 ILE 27 2HG2 ILE 27 -4.080 -12.336 6.168 223 3HG2 ILE 27 3HG2 ILE 27 -4.692 -11.280 4.877 224 1HD1 ILE 27 1HD1 ILE 27 -4.565 -9.104 5.404 225 2HD1 ILE 27 2HD1 ILE 27 -3.545 -7.935 6.253 226 3HD1 ILE 27 3HD1 ILE 27 -3.112 -8.449 4.611 227 H LEU 28 H LEU 28 -0.548 -12.693 3.308 228 HA LEU 28 HA LEU 28 -1.669 -15.357 3.155 229 1HB LEU 28 1HB LEU 28 -0.966 -13.716 1.292 230 2HB LEU 28 2HB LEU 28 0.684 -14.247 1.583 231 HG LEU 28 HG LEU 28 -0.331 -15.299 -0.293 232 1HD1 LEU 28 1HD1 LEU 28 1.290 -16.631 1.173 233 2HD1 LEU 28 2HD1 LEU 28 -0.137 -17.578 1.656 234 3HD1 LEU 28 3HD1 LEU 28 0.326 -17.515 -0.037 235 1HD2 LEU 28 1HD2 LEU 28 -2.728 -15.275 0.508 236 2HD2 LEU 28 2HD2 LEU 28 -2.239 -16.834 -0.197 237 3HD2 LEU 28 3HD2 LEU 28 -2.353 -16.658 1.548 238 H LEU 29 H LEU 29 1.615 -14.245 3.946 239 HA LEU 29 HA LEU 29 2.847 -16.716 4.325 240 1HB LEU 29 1HB LEU 29 3.988 -14.581 4.523 241 2HB LEU 29 2HB LEU 29 3.190 -14.229 6.050 242 HG LEU 29 HG LEU 29 4.805 -16.777 5.831 243 1HD1 LEU 29 1HD1 LEU 29 5.999 -14.002 6.252 244 2HD1 LEU 29 2HD1 LEU 29 6.854 -15.550 6.443 245 3HD1 LEU 29 3HD1 LEU 29 6.268 -15.066 4.849 246 1HD2 LEU 29 1HD2 LEU 29 5.347 -16.242 8.202 247 2HD2 LEU 29 2HD2 LEU 29 4.395 -14.745 8.093 248 3HD2 LEU 29 3HD2 LEU 29 3.609 -16.331 7.973 249 H LEU 30 H LEU 30 0.609 -15.097 6.586 250 HA LEU 30 HA LEU 30 0.690 -17.320 8.491 251 1HB LEU 30 1HB LEU 30 0.198 -15.053 9.263 252 2HB LEU 30 2HB LEU 30 -1.195 -14.968 8.190 253 HG LEU 30 HG LEU 30 -2.302 -16.812 9.462 254 1HD1 LEU 30 1HD1 LEU 30 0.120 -16.560 11.313 255 2HD1 LEU 30 2HD1 LEU 30 -1.379 -17.438 11.698 256 3HD1 LEU 30 3HD1 LEU 30 -0.356 -17.998 10.379 257 1HD2 LEU 30 1HD2 LEU 30 -2.743 -14.455 10.003 258 2HD2 LEU 30 2HD2 LEU 30 -2.819 -15.467 11.452 259 3HD2 LEU 30 3HD2 LEU 30 -1.389 -14.452 11.157 260 H LEU 31 H LEU 31 -1.752 -16.067 6.160 261 HA LEU 31 HA LEU 31 -3.456 -18.387 6.389 262 1HB LEU 31 1HB LEU 31 -4.137 -15.922 6.202 263 2HB LEU 31 2HB LEU 31 -3.631 -16.003 4.515 264 HG LEU 31 HG LEU 31 -5.346 -17.800 4.138 265 1HD1 LEU 31 1HD1 LEU 31 -7.140 -18.097 5.854 266 2HD1 LEU 31 2HD1 LEU 31 -5.595 -18.742 6.390 267 3HD1 LEU 31 3HD1 LEU 31 -6.158 -17.177 7.015 268 1HD2 LEU 31 1HD2 LEU 31 -7.284 -16.291 4.224 269 2HD2 LEU 31 2HD2 LEU 31 -6.415 -15.214 5.341 270 3HD2 LEU 31 3HD2 LEU 31 -5.839 -15.434 3.671 271 1HN NH2 32 1HN NH2 32 -0.942 -19.169 5.525 272 2HN NH2 32 2HN NH2 32 -1.027 -19.730 3.861 Start of MODEL 8 1 1H SER 1 1H SER 1 17.265 11.633 8.256 2 2H SER 1 2H SER 1 17.362 11.801 9.920 3 3H SER 1 3H SER 1 17.261 10.310 9.240 4 HA SER 1 HA SER 1 15.126 12.264 8.994 5 1HB SER 1 1HB SER 1 13.934 9.949 8.532 6 2HB SER 1 2HB SER 1 14.913 10.691 7.264 7 HG SER 1 HG SER 1 15.119 8.319 8.171 8 HA PRO 2 HA PRO 2 13.795 10.446 13.130 9 1HB PRO 2 1HB PRO 2 11.383 9.214 12.446 10 2HB PRO 2 2HB PRO 2 11.551 10.940 12.884 11 1HG PRO 2 1HG PRO 2 11.497 9.699 10.113 12 2HG PRO 2 2HG PRO 2 10.554 11.102 10.721 13 1HD PRO 2 1HD PRO 2 12.792 11.512 9.303 14 2HD PRO 2 2HD PRO 2 12.482 12.489 10.755 15 HA PRO 3 HA PRO 3 15.274 6.321 12.401 16 1HB PRO 3 1HB PRO 3 14.139 4.693 14.294 17 2HB PRO 3 2HB PRO 3 15.242 6.036 14.686 18 1HG PRO 3 1HG PRO 3 12.204 6.095 14.668 19 2HG PRO 3 2HG PRO 3 13.309 6.586 15.997 20 1HD PRO 3 1HD PRO 3 12.305 8.410 14.278 21 2HD PRO 3 2HD PRO 3 14.003 8.528 14.823 22 H ASP 4 H ASP 4 13.443 6.912 10.436 23 HA ASP 4 HA ASP 4 11.492 4.811 9.965 24 1HB ASP 4 1HB ASP 4 10.928 6.016 8.052 25 2HB ASP 4 2HB ASP 4 11.283 7.255 9.243 26 H TYR 5 H TYR 5 14.313 3.955 10.402 27 HA TYR 5 HA TYR 5 15.322 3.173 7.778 28 1HB TYR 5 1HB TYR 5 17.107 2.150 8.904 29 2HB TYR 5 2HB TYR 5 16.833 3.675 9.714 30 HD1 TYR 5 HD1 TYR 5 16.790 0.008 10.005 31 HD2 TYR 5 HD2 TYR 5 15.885 3.702 12.052 32 HE1 TYR 5 HE1 TYR 5 16.658 -1.211 12.155 33 HE2 TYR 5 HE2 TYR 5 15.738 2.489 14.190 34 HH TYR 5 HH TYR 5 16.013 0.426 15.263 35 H SER 6 H SER 6 13.618 1.628 10.488 36 HA SER 6 HA SER 6 13.663 -0.978 9.547 37 1HB SER 6 1HB SER 6 11.351 0.173 11.142 38 2HB SER 6 2HB SER 6 12.089 -1.436 11.263 39 HG SER 6 HG SER 6 12.931 -0.278 12.943 40 H ALA 7 H ALA 7 11.576 1.621 8.621 41 HA ALA 7 HA ALA 7 10.582 0.254 6.306 42 1HB ALA 7 1HB ALA 7 8.593 1.128 8.467 43 2HB ALA 7 2HB ALA 7 8.166 0.686 6.800 44 3HB ALA 7 3HB ALA 7 8.852 -0.535 7.893 45 H ALA 8 H ALA 8 11.073 1.886 4.915 46 HA ALA 8 HA ALA 8 11.134 4.685 5.878 47 1HB ALA 8 1HB ALA 8 12.455 3.273 3.537 48 2HB ALA 8 2HB ALA 8 12.593 4.996 3.939 49 3HB ALA 8 3HB ALA 8 13.220 3.776 5.068 50 HA PRO 9 HA PRO 9 7.665 5.023 2.846 51 1HB PRO 9 1HB PRO 9 6.156 6.797 4.117 52 2HB PRO 9 2HB PRO 9 6.154 5.090 4.658 53 1HG PRO 9 1HG PRO 9 7.588 7.404 5.960 54 2HG PRO 9 2HG PRO 9 6.704 6.049 6.721 55 1HD PRO 9 1HD PRO 9 9.468 6.117 6.330 56 2HD PRO 9 2HD PRO 9 8.510 4.614 6.476 57 H ARG 10 H ARG 10 8.857 6.159 1.233 58 HA ARG 10 HA ARG 10 8.887 8.953 1.170 59 1HB ARG 10 1HB ARG 10 11.345 9.298 1.341 60 2HB ARG 10 2HB ARG 10 10.661 8.845 2.871 61 1HG ARG 10 1HG ARG 10 11.488 6.443 2.367 62 2HG ARG 10 2HG ARG 10 12.386 7.162 1.016 63 1HD ARG 10 1HD ARG 10 13.419 8.769 2.716 64 2HD ARG 10 2HD ARG 10 12.624 7.828 3.980 65 HE ARG 10 HE ARG 10 14.481 6.524 2.045 66 1HH1 ARG 10 1HH1 ARG 10 13.673 7.227 5.478 67 2HH1 ARG 10 2HH1 ARG 10 14.987 6.452 6.130 68 1HH2 ARG 10 1HH2 ARG 10 16.282 5.331 2.948 69 2HH2 ARG 10 2HH2 ARG 10 16.473 5.281 4.663 70 H GLY 11 H GLY 11 10.623 9.629 -0.608 71 1HA GLY 11 1HA GLY 11 11.386 9.539 -2.720 72 2HA GLY 11 2HA GLY 11 11.615 7.799 -2.499 73 H ARG 12 H ARG 12 8.381 8.368 -2.087 74 HA ARG 12 HA ARG 12 7.662 8.318 -4.981 75 1HB ARG 12 1HB ARG 12 6.917 6.227 -2.875 76 2HB ARG 12 2HB ARG 12 6.101 6.405 -4.431 77 1HG ARG 12 1HG ARG 12 8.506 6.161 -5.475 78 2HG ARG 12 2HG ARG 12 8.952 5.538 -3.883 79 1HD ARG 12 1HD ARG 12 8.446 3.659 -5.247 80 2HD ARG 12 2HD ARG 12 7.078 3.835 -4.129 81 HE ARG 12 HE ARG 12 6.475 5.311 -6.438 82 1HH1 ARG 12 1HH1 ARG 12 7.036 1.907 -5.666 83 2HH1 ARG 12 2HH1 ARG 12 6.085 1.277 -6.961 84 1HH2 ARG 12 1HH2 ARG 12 5.200 4.504 -8.203 85 2HH2 ARG 12 2HH2 ARG 12 5.007 2.816 -8.446 86 H PHE 13 H PHE 13 7.223 10.578 -4.188 87 HA PHE 13 HA PHE 13 6.057 12.228 -3.121 88 1HB PHE 13 1HB PHE 13 4.077 10.611 -4.703 89 2HB PHE 13 2HB PHE 13 3.730 12.235 -4.091 90 HD1 PHE 13 HD1 PHE 13 5.337 10.310 -6.729 91 HD2 PHE 13 HD2 PHE 13 5.193 14.191 -4.839 92 HE1 PHE 13 HE1 PHE 13 6.491 11.318 -8.686 93 HE2 PHE 13 HE2 PHE 13 6.342 15.180 -6.798 94 HZ PHE 13 HZ PHE 13 6.995 13.749 -8.718 95 H GLY 14 H GLY 14 6.597 11.149 -0.967 96 1HA GLY 14 1HA GLY 14 5.823 11.163 1.229 97 2HA GLY 14 2HA GLY 14 4.185 11.374 0.621 98 H ILE 15 H ILE 15 2.969 9.821 1.203 99 HA ILE 15 HA ILE 15 3.841 6.953 1.506 100 HB ILE 15 HB ILE 15 1.888 8.515 3.230 101 1HG1 ILE 15 1HG1 ILE 15 3.949 7.956 4.978 102 2HG1 ILE 15 2HG1 ILE 15 4.836 8.398 3.521 103 1HG2 ILE 15 1HG2 ILE 15 1.870 6.662 4.699 104 2HG2 ILE 15 2HG2 ILE 15 1.626 6.015 3.072 105 3HG2 ILE 15 3HG2 ILE 15 3.212 5.875 3.862 106 1HD1 ILE 15 1HD1 ILE 15 4.462 10.344 4.957 107 2HD1 ILE 15 2HD1 ILE 15 3.574 10.557 3.438 108 3HD1 ILE 15 3HD1 ILE 15 2.708 10.077 4.915 109 HA PRO 16 HA PRO 16 0.217 7.119 -1.276 110 1HB PRO 16 1HB PRO 16 1.166 5.416 -3.213 111 2HB PRO 16 2HB PRO 16 1.556 7.159 -3.179 112 1HG PRO 16 1HG PRO 16 3.239 4.854 -2.199 113 2HG PRO 16 2HG PRO 16 3.747 6.257 -3.179 114 1HD PRO 16 1HD PRO 16 4.100 6.112 -0.445 115 2HD PRO 16 2HD PRO 16 3.823 7.658 -1.258 116 H PHE 17 H PHE 17 -0.772 4.786 -2.132 117 HA PHE 17 HA PHE 17 -1.366 3.180 0.129 118 1HB PHE 17 1HB PHE 17 -2.572 1.800 -1.546 119 2HB PHE 17 2HB PHE 17 -2.920 3.507 -1.681 120 HD1 PHE 17 HD1 PHE 17 -2.411 4.759 -3.697 121 HD2 PHE 17 HD2 PHE 17 -1.099 0.658 -3.288 122 HE1 PHE 17 HE1 PHE 17 -1.788 4.707 -6.090 123 HE2 PHE 17 HE2 PHE 17 -0.481 0.623 -5.673 124 HZ PHE 17 HZ PHE 17 -0.820 2.646 -7.087 125 H PHE 18 H PHE 18 1.606 3.219 -0.593 126 HA PHE 18 HA PHE 18 2.469 0.933 -1.924 127 1HB PHE 18 1HB PHE 18 4.634 1.459 -1.192 128 2HB PHE 18 2HB PHE 18 3.809 2.992 -1.151 129 HD1 PHE 18 HD1 PHE 18 5.100 0.234 0.959 130 HD2 PHE 18 HD2 PHE 18 3.716 4.326 0.817 131 HE1 PHE 18 HE1 PHE 18 6.006 0.619 3.228 132 HE2 PHE 18 HE2 PHE 18 4.720 4.717 3.024 133 HZ PHE 18 HZ PHE 18 5.821 2.856 4.276 134 HA PRO 19 HA PRO 19 2.797 -1.472 2.158 135 1HB PRO 19 1HB PRO 19 1.075 -1.129 4.251 136 2HB PRO 19 2HB PRO 19 2.596 -0.205 4.056 137 1HG PRO 19 1HG PRO 19 -0.202 0.631 3.215 138 2HG PRO 19 2HG PRO 19 0.978 1.559 4.202 139 1HD PRO 19 1HD PRO 19 0.751 2.003 1.589 140 2HD PRO 19 2HD PRO 19 2.358 1.956 2.346 141 H VAL 20 H VAL 20 -0.092 -0.847 0.378 142 HA VAL 20 HA VAL 20 -1.779 -2.994 1.143 143 HB VAL 20 HB VAL 20 -1.128 -1.502 -1.445 144 1HG1 VAL 20 1HG1 VAL 20 -3.099 -2.545 -2.537 145 2HG1 VAL 20 2HG1 VAL 20 -1.712 -3.588 -2.379 146 3HG1 VAL 20 3HG1 VAL 20 -3.074 -3.805 -1.256 147 1HG2 VAL 20 1HG2 VAL 20 -2.457 -0.346 0.329 148 2HG2 VAL 20 2HG2 VAL 20 -3.381 -0.578 -1.158 149 3HG2 VAL 20 3HG2 VAL 20 -3.675 -1.639 0.235 150 H HIS 21 H HIS 21 0.645 -2.977 -1.427 151 HA HIS 21 HA HIS 21 0.399 -5.657 -2.171 152 1HB HIS 21 1HB HIS 21 2.632 -3.644 -2.203 153 2HB HIS 21 2HB HIS 21 2.718 -5.129 -3.161 154 HD1 HIS 21 HD1 HIS 21 0.446 -5.072 -5.121 155 HD2 HIS 21 HD2 HIS 21 1.772 -1.552 -3.201 156 HE1 HIS 21 HE1 HIS 21 -0.516 -3.117 -6.433 157 H LEU 22 H LEU 22 2.597 -4.155 0.133 158 HA LEU 22 HA LEU 22 4.014 -6.549 0.858 159 1HB LEU 22 1HB LEU 22 3.691 -3.876 2.287 160 2HB LEU 22 2HB LEU 22 4.764 -5.158 2.789 161 HG LEU 22 HG LEU 22 6.263 -3.842 1.697 162 1HD1 LEU 22 1HD1 LEU 22 6.907 -4.774 -0.449 163 2HD1 LEU 22 2HD1 LEU 22 6.317 -6.087 0.582 164 3HD1 LEU 22 3HD1 LEU 22 5.291 -5.439 -0.720 165 1HD2 LEU 22 1HD2 LEU 22 4.638 -2.159 0.936 166 2HD2 LEU 22 2HD2 LEU 22 5.881 -2.490 -0.274 167 3HD2 LEU 22 3HD2 LEU 22 4.255 -3.156 -0.484 168 H LYS 23 H LYS 23 1.236 -4.808 2.485 169 HA LYS 23 HA LYS 23 1.166 -6.764 4.589 170 1HB LYS 23 1HB LYS 23 0.065 -4.462 4.631 171 2HB LYS 23 2HB LYS 23 -1.216 -5.131 3.597 172 1HG LYS 23 1HG LYS 23 -1.639 -6.885 5.364 173 2HG LYS 23 2HG LYS 23 -0.315 -6.223 6.315 174 1HD LYS 23 1HD LYS 23 -2.268 -5.461 7.334 175 2HD LYS 23 2HD LYS 23 -1.620 -4.051 6.480 176 1HE LYS 23 1HE LYS 23 -3.260 -4.344 4.678 177 2HE LYS 23 2HE LYS 23 -3.786 -5.893 5.356 178 1HZ LYS 23 1HZ LYS 23 -5.323 -4.139 5.923 179 2HZ LYS 23 2HZ LYS 23 -4.621 -4.715 7.286 180 3HZ LYS 23 3HZ LYS 23 -4.148 -3.266 6.670 181 H ARG 24 H ARG 24 -0.105 -6.680 1.293 182 HA ARG 24 HA ARG 24 -1.730 -9.040 1.582 183 1HB ARG 24 1HB ARG 24 -2.127 -7.516 -0.230 184 2HB ARG 24 2HB ARG 24 -0.500 -7.687 -0.841 185 1HG ARG 24 1HG ARG 24 -1.935 -10.286 -0.746 186 2HG ARG 24 2HG ARG 24 -2.782 -9.064 -1.671 187 1HD ARG 24 1HD ARG 24 -1.367 -10.268 -3.189 188 2HD ARG 24 2HD ARG 24 -0.783 -8.621 -3.038 189 HE ARG 24 HE ARG 24 1.157 -9.331 -1.988 190 1HH1 ARG 24 1HH1 ARG 24 -1.024 -12.122 -2.209 191 2HH1 ARG 24 2HH1 ARG 24 0.217 -13.310 -2.281 192 1HH2 ARG 24 1HH2 ARG 24 2.863 -10.923 -2.143 193 2HH2 ARG 24 2HH2 ARG 24 2.485 -12.602 -2.177 194 H LEU 25 H LEU 25 1.729 -8.545 0.944 195 HA LEU 25 HA LEU 25 2.301 -11.314 0.363 196 1HB LEU 25 1HB LEU 25 3.770 -9.253 -0.059 197 2HB LEU 25 2HB LEU 25 4.204 -9.300 1.641 198 HG LEU 25 HG LEU 25 4.583 -11.702 -0.188 199 1HD1 LEU 25 1HD1 LEU 25 6.913 -10.955 -0.494 200 2HD1 LEU 25 2HD1 LEU 25 5.779 -9.774 -1.158 201 3HD1 LEU 25 3HD1 LEU 25 6.567 -9.466 0.406 202 1HD2 LEU 25 1HD2 LEU 25 4.814 -12.305 2.178 203 2HD2 LEU 25 2HD2 LEU 25 6.411 -12.254 1.461 204 3HD2 LEU 25 3HD2 LEU 25 5.866 -10.904 2.474 205 H LEU 26 H LEU 26 2.438 -9.341 3.329 206 HA LEU 26 HA LEU 26 3.170 -11.427 5.089 207 1HB LEU 26 1HB LEU 26 3.283 -9.054 5.624 208 2HB LEU 26 2HB LEU 26 1.528 -8.913 5.651 209 HG LEU 26 HG LEU 26 2.820 -10.952 7.472 210 1HD1 LEU 26 1HD1 LEU 26 3.205 -9.230 9.198 211 2HD1 LEU 26 2HD1 LEU 26 4.219 -8.957 7.782 212 3HD1 LEU 26 3HD1 LEU 26 2.772 -7.953 8.038 213 1HD2 LEU 26 1HD2 LEU 26 0.347 -10.791 7.509 214 2HD2 LEU 26 2HD2 LEU 26 1.013 -10.220 9.025 215 3HD2 LEU 26 3HD2 LEU 26 0.449 -9.042 7.822 216 H ILE 27 H ILE 27 -0.143 -10.291 4.283 217 HA ILE 27 HA ILE 27 -1.499 -12.152 5.940 218 HB ILE 27 HB ILE 27 -2.321 -10.618 3.451 219 1HG1 ILE 27 1HG1 ILE 27 -3.232 -10.362 6.361 220 2HG1 ILE 27 2HG1 ILE 27 -1.856 -9.479 5.727 221 1HG2 ILE 27 1HG2 ILE 27 -4.692 -11.247 3.934 222 2HG2 ILE 27 2HG2 ILE 27 -3.736 -12.647 3.483 223 3HG2 ILE 27 3HG2 ILE 27 -4.123 -12.371 5.188 224 1HD1 ILE 27 1HD1 ILE 27 -3.791 -8.040 5.719 225 2HD1 ILE 27 2HD1 ILE 27 -3.319 -8.379 4.038 226 3HD1 ILE 27 3HD1 ILE 27 -4.730 -9.190 4.763 227 H LEU 28 H LEU 28 -0.404 -12.483 2.496 228 HA LEU 28 HA LEU 28 -1.424 -15.160 2.204 229 1HB LEU 28 1HB LEU 28 -0.716 -13.545 0.418 230 2HB LEU 28 2HB LEU 28 0.957 -13.941 0.810 231 HG LEU 28 HG LEU 28 0.034 -15.127 -1.088 232 1HD1 LEU 28 1HD1 LEU 28 1.795 -16.170 0.477 233 2HD1 LEU 28 2HD1 LEU 28 0.502 -17.293 0.939 234 3HD1 LEU 28 3HD1 LEU 28 0.995 -17.208 -0.743 235 1HD2 LEU 28 1HD2 LEU 28 -1.755 -16.736 0.793 236 2HD2 LEU 28 2HD2 LEU 28 -2.356 -15.421 -0.213 237 3HD2 LEU 28 3HD2 LEU 28 -1.659 -16.888 -0.952 238 H LEU 29 H LEU 29 1.810 -14.011 3.206 239 HA LEU 29 HA LEU 29 2.907 -16.580 3.643 240 1HB LEU 29 1HB LEU 29 4.198 -14.519 3.631 241 2HB LEU 29 2HB LEU 29 3.456 -13.966 5.127 242 HG LEU 29 HG LEU 29 4.901 -16.627 5.145 243 1HD1 LEU 29 1HD1 LEU 29 7.049 -15.488 5.560 244 2HD1 LEU 29 2HD1 LEU 29 6.442 -15.151 3.937 245 3HD1 LEU 29 3HD1 LEU 29 6.295 -13.916 5.211 246 1HD2 LEU 29 1HD2 LEU 29 3.808 -15.866 7.250 247 2HD2 LEU 29 2HD2 LEU 29 5.555 -15.874 7.428 248 3HD2 LEU 29 3HD2 LEU 29 4.701 -14.335 7.175 249 H LEU 30 H LEU 30 0.846 -14.670 5.834 250 HA LEU 30 HA LEU 30 0.899 -16.588 7.984 251 1HB LEU 30 1HB LEU 30 0.293 -14.196 8.224 252 2HB LEU 30 2HB LEU 30 -1.133 -14.467 7.240 253 HG LEU 30 HG LEU 30 -2.067 -16.010 8.947 254 1HD1 LEU 30 1HD1 LEU 30 -0.029 -16.863 10.011 255 2HD1 LEU 30 2HD1 LEU 30 0.405 -15.232 10.572 256 3HD1 LEU 30 3HD1 LEU 30 -1.029 -16.064 11.220 257 1HD2 LEU 30 1HD2 LEU 30 -2.589 -14.281 10.609 258 2HD2 LEU 30 2HD2 LEU 30 -1.232 -13.289 10.031 259 3HD2 LEU 30 3HD2 LEU 30 -2.624 -13.615 8.969 260 H LEU 31 H LEU 31 -1.349 -15.999 5.269 261 HA LEU 31 HA LEU 31 -2.582 -18.634 5.650 262 1HB LEU 31 1HB LEU 31 -3.964 -16.871 6.740 263 2HB LEU 31 2HB LEU 31 -4.019 -15.994 5.209 264 HG LEU 31 HG LEU 31 -5.223 -17.925 4.167 265 1HD1 LEU 31 1HD1 LEU 31 -5.215 -19.054 7.004 266 2HD1 LEU 31 2HD1 LEU 31 -6.230 -19.651 5.673 267 3HD1 LEU 31 3HD1 LEU 31 -4.477 -19.795 5.569 268 1HD2 LEU 31 1HD2 LEU 31 -6.517 -16.824 6.697 269 2HD2 LEU 31 2HD2 LEU 31 -6.459 -16.016 5.113 270 3HD2 LEU 31 3HD2 LEU 31 -7.369 -17.522 5.301 271 1HN NH2 32 1HN NH2 32 -1.038 -19.174 4.008 272 2HN NH2 32 2HN NH2 32 -1.474 -18.876 2.339 Start of MODEL 9 1 1H SER 1 1H SER 1 -23.014 10.280 -2.150 2 2H SER 1 2H SER 1 -21.663 11.054 -2.668 3 3H SER 1 3H SER 1 -22.550 10.185 -3.755 4 HA SER 1 HA SER 1 -21.909 8.150 -2.740 5 1HB SER 1 1HB SER 1 -19.340 8.474 -2.894 6 2HB SER 1 2HB SER 1 -20.281 8.987 -4.299 7 HG SER 1 HG SER 1 -18.877 10.487 -2.430 8 HA PRO 2 HA PRO 2 -20.288 8.697 1.635 9 1HB PRO 2 1HB PRO 2 -17.972 7.199 1.608 10 2HB PRO 2 2HB PRO 2 -19.596 6.486 1.851 11 1HG PRO 2 1HG PRO 2 -18.008 6.689 -0.730 12 2HG PRO 2 2HG PRO 2 -18.821 5.244 -0.044 13 1HD PRO 2 1HD PRO 2 -20.024 6.727 -1.957 14 2HD PRO 2 2HD PRO 2 -20.968 6.080 -0.592 15 HA PRO 3 HA PRO 3 -17.254 11.828 0.490 16 1HB PRO 3 1HB PRO 3 -15.867 12.281 2.790 17 2HB PRO 3 2HB PRO 3 -17.609 12.668 2.654 18 1HG PRO 3 1HG PRO 3 -16.344 10.163 3.823 19 2HG PRO 3 2HG PRO 3 -17.590 11.220 4.568 20 1HD PRO 3 1HD PRO 3 -18.232 8.934 3.214 21 2HD PRO 3 2HD PRO 3 -19.279 10.385 3.150 22 H ASP 4 H ASP 4 -14.758 12.261 0.606 23 HA ASP 4 HA ASP 4 -13.228 9.815 0.075 24 1HB ASP 4 1HB ASP 4 -11.828 11.233 -1.256 25 2HB ASP 4 2HB ASP 4 -13.482 11.601 -1.737 26 H TYR 5 H TYR 5 -10.646 11.115 0.583 27 HA TYR 5 HA TYR 5 -10.684 12.256 3.170 28 1HB TYR 5 1HB TYR 5 -8.949 10.661 3.816 29 2HB TYR 5 2HB TYR 5 -10.540 9.913 3.778 30 HD1 TYR 5 HD1 TYR 5 -7.100 9.822 2.585 31 HD2 TYR 5 HD2 TYR 5 -11.080 8.357 1.833 32 HE1 TYR 5 HE1 TYR 5 -6.162 8.026 1.137 33 HE2 TYR 5 HE2 TYR 5 -10.171 6.583 0.379 34 HH TYR 5 HH TYR 5 -8.261 5.673 -0.541 35 H SER 6 H SER 6 -8.580 13.228 3.463 36 HA SER 6 HA SER 6 -7.396 14.414 1.189 37 1HB SER 6 1HB SER 6 -6.443 14.493 4.077 38 2HB SER 6 2HB SER 6 -6.229 15.725 2.823 39 HG SER 6 HG SER 6 -8.589 15.911 2.852 40 H ALA 7 H ALA 7 -7.015 12.162 0.507 41 HA ALA 7 HA ALA 7 -5.131 10.347 1.164 42 1HB ALA 7 1HB ALA 7 -4.853 9.804 -1.232 43 2HB ALA 7 2HB ALA 7 -6.549 10.167 -0.848 44 3HB ALA 7 3HB ALA 7 -5.548 11.380 -1.674 45 H ALA 8 H ALA 8 -3.069 10.263 1.567 46 HA ALA 8 HA ALA 8 -1.310 12.327 1.802 47 1HB ALA 8 1HB ALA 8 -0.712 9.371 1.264 48 2HB ALA 8 2HB ALA 8 0.420 10.502 2.006 49 3HB ALA 8 3HB ALA 8 -1.079 10.093 2.850 50 HA PRO 9 HA PRO 9 0.511 13.280 -2.152 51 1HB PRO 9 1HB PRO 9 3.271 13.184 -1.675 52 2HB PRO 9 2HB PRO 9 2.198 14.568 -1.314 53 1HG PRO 9 1HG PRO 9 3.127 12.375 0.553 54 2HG PRO 9 2HG PRO 9 3.049 14.140 0.861 55 1HD PRO 9 1HD PRO 9 1.119 12.511 1.780 56 2HD PRO 9 2HD PRO 9 0.676 14.083 1.064 57 H ARG 10 H ARG 10 1.420 12.233 -3.982 58 HA ARG 10 HA ARG 10 2.750 9.772 -3.893 59 1HB ARG 10 1HB ARG 10 0.879 8.526 -5.158 60 2HB ARG 10 2HB ARG 10 0.928 8.528 -3.414 61 1HG ARG 10 1HG ARG 10 -1.329 8.726 -4.655 62 2HG ARG 10 2HG ARG 10 -1.025 9.573 -3.175 63 1HD ARG 10 1HD ARG 10 -0.441 11.419 -5.317 64 2HD ARG 10 2HD ARG 10 -1.957 10.596 -5.684 65 HE ARG 10 HE ARG 10 -1.794 11.432 -2.917 66 1HH1 ARG 10 1HH1 ARG 10 -2.554 12.764 -6.118 67 2HH1 ARG 10 2HH1 ARG 10 -3.636 13.966 -5.505 68 1HH2 ARG 10 1HH2 ARG 10 -3.224 13.003 -2.096 69 2HH2 ARG 10 2HH2 ARG 10 -4.021 14.099 -3.138 70 H GLY 11 H GLY 11 3.278 9.044 -6.088 71 1HA GLY 11 1HA GLY 11 3.979 9.442 -8.213 72 2HA GLY 11 2HA GLY 11 2.753 10.709 -8.389 73 H ARG 12 H ARG 12 4.575 11.421 -5.660 74 HA ARG 12 HA ARG 12 6.982 12.488 -6.619 75 1HB ARG 12 1HB ARG 12 4.719 14.424 -5.857 76 2HB ARG 12 2HB ARG 12 6.436 14.810 -5.709 77 1HG ARG 12 1HG ARG 12 6.680 14.345 -8.191 78 2HG ARG 12 2HG ARG 12 4.906 14.254 -8.274 79 1HD ARG 12 1HD ARG 12 4.717 16.548 -7.427 80 2HD ARG 12 2HD ARG 12 6.466 16.653 -7.232 81 HE ARG 12 HE ARG 12 5.016 16.341 -9.825 82 1HH1 ARG 12 1HH1 ARG 12 7.806 17.687 -8.080 83 2HH1 ARG 12 2HH1 ARG 12 8.474 18.485 -9.452 84 1HH2 ARG 12 1HH2 ARG 12 5.894 17.424 -11.666 85 2HH2 ARG 12 2HH2 ARG 12 7.345 18.332 -11.539 86 H PHE 13 H PHE 13 7.973 11.686 -4.964 87 HA PHE 13 HA PHE 13 8.339 10.603 -2.893 88 1HB PHE 13 1HB PHE 13 8.332 13.594 -2.447 89 2HB PHE 13 2HB PHE 13 9.178 12.421 -1.437 90 HD1 PHE 13 HD1 PHE 13 9.468 14.588 -4.265 91 HD2 PHE 13 HD2 PHE 13 10.920 10.855 -2.653 92 HE1 PHE 13 HE1 PHE 13 11.435 14.688 -5.780 93 HE2 PHE 13 HE2 PHE 13 12.873 10.965 -4.174 94 HZ PHE 13 HZ PHE 13 13.133 12.875 -5.738 95 H GLY 14 H GLY 14 6.258 9.482 -2.434 96 1HA GLY 14 1HA GLY 14 4.961 10.525 -0.077 97 2HA GLY 14 2HA GLY 14 3.981 10.617 -1.542 98 H ILE 15 H ILE 15 2.734 9.119 0.039 99 HA ILE 15 HA ILE 15 3.630 6.265 -0.042 100 HB ILE 15 HB ILE 15 2.188 7.850 2.095 101 1HG1 ILE 15 1HG1 ILE 15 4.200 6.512 3.374 102 2HG1 ILE 15 2HG1 ILE 15 4.952 6.705 1.799 103 1HG2 ILE 15 1HG2 ILE 15 2.475 4.838 1.876 104 2HG2 ILE 15 2HG2 ILE 15 2.122 5.692 3.397 105 3HG2 ILE 15 3HG2 ILE 15 1.002 5.787 2.050 106 1HD1 ILE 15 1HD1 ILE 15 3.811 8.942 3.542 107 2HD1 ILE 15 2HD1 ILE 15 5.526 8.526 3.368 108 3HD1 ILE 15 3HD1 ILE 15 4.637 9.181 1.986 109 HA PRO 16 HA PRO 16 -0.374 6.234 -2.221 110 1HB PRO 16 1HB PRO 16 0.212 4.320 -4.091 111 2HB PRO 16 2HB PRO 16 0.755 6.012 -4.279 112 1HG PRO 16 1HG PRO 16 2.330 3.666 -3.186 113 2HG PRO 16 2HG PRO 16 2.837 4.846 -4.435 114 1HD PRO 16 1HD PRO 16 3.555 5.107 -1.813 115 2HD PRO 16 2HD PRO 16 3.200 6.532 -2.827 116 H PHE 17 H PHE 17 -1.427 3.716 -2.760 117 HA PHE 17 HA PHE 17 -1.792 2.454 -0.235 118 1HB PHE 17 1HB PHE 17 -3.115 0.837 -1.625 119 2HB PHE 17 2HB PHE 17 -3.539 2.515 -1.860 120 HD1 PHE 17 HD1 PHE 17 -1.635 -0.342 -3.413 121 HD2 PHE 17 HD2 PHE 17 -3.446 3.539 -4.024 122 HE1 PHE 17 HE1 PHE 17 -1.238 -0.533 -5.835 123 HE2 PHE 17 HE2 PHE 17 -3.049 3.324 -6.461 124 HZ PHE 17 HZ PHE 17 -1.938 1.296 -7.371 125 H PHE 18 H PHE 18 1.109 2.377 -1.236 126 HA PHE 18 HA PHE 18 1.820 -0.077 -2.331 127 1HB PHE 18 1HB PHE 18 4.036 0.393 -1.869 128 2HB PHE 18 2HB PHE 18 3.294 1.961 -2.028 129 HD1 PHE 18 HD1 PHE 18 3.370 3.582 -0.192 130 HD2 PHE 18 HD2 PHE 18 4.769 -0.466 0.324 131 HE1 PHE 18 HE1 PHE 18 4.610 4.243 1.867 132 HE2 PHE 18 HE2 PHE 18 5.909 0.192 2.420 133 HZ PHE 18 HZ PHE 18 5.833 2.554 3.187 134 HA PRO 19 HA PRO 19 2.551 -1.954 2.007 135 1HB PRO 19 1HB PRO 19 0.775 -1.442 4.059 136 2HB PRO 19 2HB PRO 19 2.333 -0.599 3.805 137 1HG PRO 19 1HG PRO 19 -0.427 0.276 2.896 138 2HG PRO 19 2HG PRO 19 0.812 1.241 3.768 139 1HD PRO 19 1HD PRO 19 0.569 1.470 1.143 140 2HD PRO 19 2HD PRO 19 2.195 1.353 1.854 141 H VAL 20 H VAL 20 -0.480 -1.610 0.350 142 HA VAL 20 HA VAL 20 -1.996 -3.786 1.308 143 HB VAL 20 HB VAL 20 -1.532 -2.428 -1.389 144 1HG1 VAL 20 1HG1 VAL 20 -3.340 -4.814 -0.977 145 2HG1 VAL 20 2HG1 VAL 20 -3.502 -3.630 -2.319 146 3HG1 VAL 20 3HG1 VAL 20 -2.052 -4.585 -2.181 147 1HG2 VAL 20 1HG2 VAL 20 -2.839 -1.236 0.378 148 2HG2 VAL 20 2HG2 VAL 20 -3.817 -1.600 -1.047 149 3HG2 VAL 20 3HG2 VAL 20 -3.990 -2.590 0.418 150 H HIS 21 H HIS 21 0.324 -3.827 -1.362 151 HA HIS 21 HA HIS 21 0.151 -6.547 -1.962 152 1HB HIS 21 1HB HIS 21 2.295 -4.454 -2.198 153 2HB HIS 21 2HB HIS 21 2.399 -5.981 -3.085 154 HD1 HIS 21 HD1 HIS 21 0.143 -6.094 -5.023 155 HD2 HIS 21 HD2 HIS 21 1.187 -2.462 -3.144 156 HE1 HIS 21 HE1 HIS 21 -1.047 -4.245 -6.300 157 H LEU 22 H LEU 22 2.367 -4.854 0.164 158 HA LEU 22 HA LEU 22 3.928 -7.118 0.990 159 1HB LEU 22 1HB LEU 22 3.503 -4.394 2.300 160 2HB LEU 22 2HB LEU 22 4.669 -5.593 2.800 161 HG LEU 22 HG LEU 22 6.024 -4.214 1.613 162 1HD1 LEU 22 1HD1 LEU 22 5.101 -5.985 -0.693 163 2HD1 LEU 22 2HD1 LEU 22 6.669 -5.191 -0.507 164 3HD1 LEU 22 3HD1 LEU 22 6.214 -6.493 0.604 165 1HD2 LEU 22 1HD2 LEU 22 4.270 -2.687 0.808 166 2HD2 LEU 22 2HD2 LEU 22 5.514 -2.988 -0.406 167 3HD2 LEU 22 3HD2 LEU 22 3.937 -3.774 -0.557 168 H LYS 23 H LYS 23 1.142 -5.385 2.639 169 HA LYS 23 HA LYS 23 1.198 -7.250 4.817 170 1HB LYS 23 1HB LYS 23 0.031 -4.975 4.783 171 2HB LYS 23 2HB LYS 23 -1.273 -5.744 3.858 172 1HG LYS 23 1HG LYS 23 -1.559 -7.400 5.738 173 2HG LYS 23 2HG LYS 23 -0.235 -6.612 6.608 174 1HD LYS 23 1HD LYS 23 -1.617 -4.485 6.587 175 2HD LYS 23 2HD LYS 23 -2.963 -5.425 5.936 176 1HE LYS 23 1HE LYS 23 -1.513 -5.908 8.589 177 2HE LYS 23 2HE LYS 23 -3.079 -5.114 8.412 178 1HZ LYS 23 1HZ LYS 23 -3.981 -7.193 7.576 179 2HZ LYS 23 2HZ LYS 23 -2.517 -7.938 7.724 180 3HZ LYS 23 3HZ LYS 23 -3.315 -7.413 9.058 181 H ARG 24 H ARG 24 -0.177 -7.394 1.572 182 HA ARG 24 HA ARG 24 -1.765 -9.743 2.039 183 1HB ARG 24 1HB ARG 24 -2.308 -8.405 0.189 184 2HB ARG 24 2HB ARG 24 -0.684 -8.384 -0.433 185 1HG ARG 24 1HG ARG 24 -1.753 -11.146 -0.345 186 2HG ARG 24 2HG ARG 24 -2.819 -10.058 -1.203 187 1HD ARG 24 1HD ARG 24 -1.179 -11.143 -2.705 188 2HD ARG 24 2HD ARG 24 -1.113 -9.388 -2.741 189 HE ARG 24 HE ARG 24 0.905 -9.387 -1.455 190 1HH1 ARG 24 1HH1 ARG 24 0.025 -12.683 -2.458 191 2HH1 ARG 24 2HH1 ARG 24 1.647 -13.249 -2.552 192 1HH2 ARG 24 1HH2 ARG 24 3.024 -10.088 -1.597 193 2HH2 ARG 24 2HH2 ARG 24 3.426 -11.706 -2.057 194 H LEU 25 H LEU 25 1.722 -9.292 1.445 195 HA LEU 25 HA LEU 25 2.245 -12.096 0.930 196 1HB LEU 25 1HB LEU 25 3.873 -10.210 0.475 197 2HB LEU 25 2HB LEU 25 4.088 -9.995 2.184 198 HG LEU 25 HG LEU 25 5.874 -11.251 0.969 199 1HD1 LEU 25 1HD1 LEU 25 4.758 -12.837 3.307 200 2HD1 LEU 25 2HD1 LEU 25 6.429 -12.707 2.764 201 3HD1 LEU 25 3HD1 LEU 25 5.630 -11.293 3.457 202 1HD2 LEU 25 1HD2 LEU 25 5.649 -13.615 0.521 203 2HD2 LEU 25 2HD2 LEU 25 3.961 -13.615 1.039 204 3HD2 LEU 25 3HD2 LEU 25 4.454 -12.725 -0.428 205 H LEU 26 H LEU 26 2.315 -9.982 3.770 206 HA LEU 26 HA LEU 26 2.951 -11.974 5.702 207 1HB LEU 26 1HB LEU 26 3.164 -9.625 6.144 208 2HB LEU 26 2HB LEU 26 1.433 -9.350 6.015 209 HG LEU 26 HG LEU 26 2.369 -11.363 8.065 210 1HD1 LEU 26 1HD1 LEU 26 3.960 -9.522 8.369 211 2HD1 LEU 26 2HD1 LEU 26 2.630 -8.343 8.432 212 3HD1 LEU 26 3HD1 LEU 26 2.813 -9.574 9.706 213 1HD2 LEU 26 1HD2 LEU 26 0.233 -9.165 8.103 214 2HD2 LEU 26 2HD2 LEU 26 -0.068 -10.902 7.843 215 3HD2 LEU 26 3HD2 LEU 26 0.536 -10.349 9.397 216 H ILE 27 H ILE 27 -0.283 -10.887 4.591 217 HA ILE 27 HA ILE 27 -1.778 -12.595 6.317 218 HB ILE 27 HB ILE 27 -2.403 -11.273 3.655 219 1HG1 ILE 27 1HG1 ILE 27 -3.552 -10.714 6.428 220 2HG1 ILE 27 2HG1 ILE 27 -2.071 -9.954 5.887 221 1HG2 ILE 27 1HG2 ILE 27 -3.856 -13.256 3.770 222 2HG2 ILE 27 2HG2 ILE 27 -4.333 -12.848 5.423 223 3HG2 ILE 27 3HG2 ILE 27 -4.816 -11.816 4.059 224 1HD1 ILE 27 1HD1 ILE 27 -3.270 -8.960 3.938 225 2HD1 ILE 27 2HD1 ILE 27 -4.793 -9.632 4.564 226 3HD1 ILE 27 3HD1 ILE 27 -3.906 -8.429 5.507 227 H LEU 28 H LEU 28 -0.453 -13.177 2.984 228 HA LEU 28 HA LEU 28 -1.474 -15.853 2.791 229 1HB LEU 28 1HB LEU 28 -0.598 -14.353 0.965 230 2HB LEU 28 2HB LEU 28 1.028 -14.749 1.512 231 HG LEU 28 HG LEU 28 0.247 -16.036 -0.386 232 1HD1 LEU 28 1HD1 LEU 28 1.856 -17.007 1.366 233 2HD1 LEU 28 2HD1 LEU 28 0.505 -18.066 1.819 234 3HD1 LEU 28 3HD1 LEU 28 1.120 -18.117 0.175 235 1HD2 LEU 28 1HD2 LEU 28 -2.206 -16.236 0.280 236 2HD2 LEU 28 2HD2 LEU 28 -1.479 -17.762 -0.282 237 3HD2 LEU 28 3HD2 LEU 28 -1.735 -17.486 1.435 238 H LEU 29 H LEU 29 1.686 -14.659 3.956 239 HA LEU 29 HA LEU 29 2.717 -17.181 4.659 240 1HB LEU 29 1HB LEU 29 4.017 -15.057 4.677 241 2HB LEU 29 2HB LEU 29 3.112 -14.519 6.093 242 HG LEU 29 HG LEU 29 4.067 -16.392 7.431 243 1HD1 LEU 29 1HD1 LEU 29 4.533 -18.051 5.677 244 2HD1 LEU 29 2HD1 LEU 29 5.704 -16.953 4.905 245 3HD1 LEU 29 3HD1 LEU 29 6.025 -17.641 6.514 246 1HD2 LEU 29 1HD2 LEU 29 6.332 -15.460 7.586 247 2HD2 LEU 29 2HD2 LEU 29 6.129 -14.649 6.016 248 3HD2 LEU 29 3HD2 LEU 29 5.129 -14.177 7.413 249 H LEU 30 H LEU 30 0.443 -15.168 6.518 250 HA LEU 30 HA LEU 30 0.360 -16.951 8.799 251 1HB LEU 30 1HB LEU 30 -0.264 -14.546 8.862 252 2HB LEU 30 2HB LEU 30 -1.622 -14.886 7.805 253 HG LEU 30 HG LEU 30 -2.649 -16.349 9.530 254 1HD1 LEU 30 1HD1 LEU 30 -0.678 -17.108 10.775 255 2HD1 LEU 30 2HD1 LEU 30 -0.300 -15.441 11.268 256 3HD1 LEU 30 3HD1 LEU 30 -1.764 -16.257 11.867 257 1HD2 LEU 30 1HD2 LEU 30 -3.306 -14.543 11.051 258 2HD2 LEU 30 2HD2 LEU 30 -1.926 -13.559 10.513 259 3HD2 LEU 30 3HD2 LEU 30 -3.238 -13.969 9.379 260 H LEU 31 H LEU 31 -1.662 -16.516 5.887 261 HA LEU 31 HA LEU 31 -2.915 -19.136 6.294 262 1HB LEU 31 1HB LEU 31 -4.382 -17.356 7.251 263 2HB LEU 31 2HB LEU 31 -4.350 -16.525 5.695 264 HG LEU 31 HG LEU 31 -5.443 -18.544 4.647 265 1HD1 LEU 31 1HD1 LEU 31 -5.707 -19.469 7.546 266 2HD1 LEU 31 2HD1 LEU 31 -6.570 -20.174 6.162 267 3HD1 LEU 31 3HD1 LEU 31 -4.814 -20.300 6.256 268 1HD2 LEU 31 1HD2 LEU 31 -7.678 -18.074 5.567 269 2HD2 LEU 31 2HD2 LEU 31 -6.944 -17.266 6.971 270 3HD2 LEU 31 3HD2 LEU 31 -6.754 -16.582 5.339 271 1HN NH2 32 1HN NH2 32 -1.288 -19.710 4.733 272 2HN NH2 32 2HN NH2 32 -1.640 -19.441 3.039 Start of MODEL 10 1 1H SER 1 1H SER 1 -8.547 19.436 -11.368 2 2H SER 1 2H SER 1 -8.186 20.955 -10.774 3 3H SER 1 3H SER 1 -7.122 19.722 -10.582 4 HA SER 1 HA SER 1 -9.764 19.773 -9.343 5 1HB SER 1 1HB SER 1 -8.723 17.849 -8.032 6 2HB SER 1 2HB SER 1 -8.947 17.513 -9.754 7 HG SER 1 HG SER 1 -6.619 17.910 -8.277 8 HA PRO 2 HA PRO 2 -7.276 21.807 -5.974 9 1HB PRO 2 1HB PRO 2 -8.021 20.364 -3.749 10 2HB PRO 2 2HB PRO 2 -9.033 21.665 -4.447 11 1HG PRO 2 1HG PRO 2 -9.249 18.672 -4.906 12 2HG PRO 2 2HG PRO 2 -10.559 19.822 -4.482 13 1HD PRO 2 1HD PRO 2 -10.130 19.057 -7.046 14 2HD PRO 2 2HD PRO 2 -10.586 20.736 -6.662 15 HA PRO 3 HA PRO 3 -4.011 18.707 -5.801 16 1HB PRO 3 1HB PRO 3 -2.573 19.367 -3.568 17 2HB PRO 3 2HB PRO 3 -2.618 20.409 -5.023 18 1HG PRO 3 1HG PRO 3 -4.266 20.674 -2.490 19 2HG PRO 3 2HG PRO 3 -3.351 21.949 -3.350 20 1HD PRO 3 1HD PRO 3 -6.038 21.577 -3.700 21 2HD PRO 3 2HD PRO 3 -4.980 22.109 -5.041 22 H ASP 4 H ASP 4 -3.029 16.975 -4.136 23 HA ASP 4 HA ASP 4 -5.276 15.688 -2.778 24 1HB ASP 4 1HB ASP 4 -3.829 13.709 -2.872 25 2HB ASP 4 2HB ASP 4 -4.246 14.381 -4.438 26 H TYR 5 H TYR 5 -4.792 17.734 -1.360 27 HA TYR 5 HA TYR 5 -2.632 17.698 0.518 28 1HB TYR 5 1HB TYR 5 -3.775 19.568 1.524 29 2HB TYR 5 2HB TYR 5 -3.828 19.727 -0.215 30 HD1 TYR 5 HD1 TYR 5 -5.994 19.497 -1.451 31 HD2 TYR 5 HD2 TYR 5 -5.825 19.262 2.852 32 HE1 TYR 5 HE1 TYR 5 -8.453 19.711 -1.343 33 HE2 TYR 5 HE2 TYR 5 -8.270 19.474 2.967 34 HH TYR 5 HH TYR 5 -10.244 19.702 1.744 35 H SER 6 H SER 6 -4.454 15.163 0.515 36 HA SER 6 HA SER 6 -4.962 14.986 3.402 37 1HB SER 6 1HB SER 6 -6.948 14.552 1.147 38 2HB SER 6 2HB SER 6 -7.148 13.959 2.796 39 HG SER 6 HG SER 6 -6.444 16.600 2.711 40 H ALA 7 H ALA 7 -6.014 12.750 0.967 41 HA ALA 7 HA ALA 7 -4.535 10.518 1.973 42 1HB ALA 7 1HB ALA 7 -5.663 11.000 -0.829 43 2HB ALA 7 2HB ALA 7 -5.086 9.442 -0.204 44 3HB ALA 7 3HB ALA 7 -6.511 10.211 0.525 45 H ALA 8 H ALA 8 -2.410 10.391 2.016 46 HA ALA 8 HA ALA 8 -0.571 12.092 1.262 47 1HB ALA 8 1HB ALA 8 1.111 10.273 1.520 48 2HB ALA 8 2HB ALA 8 -0.165 10.190 2.749 49 3HB ALA 8 3HB ALA 8 -0.186 9.073 1.359 50 HA PRO 9 HA PRO 9 -0.020 12.221 -3.019 51 1HB PRO 9 1HB PRO 9 2.558 13.169 -3.321 52 2HB PRO 9 2HB PRO 9 1.183 14.145 -2.722 53 1HG PRO 9 1HG PRO 9 3.275 12.668 -1.091 54 2HG PRO 9 2HG PRO 9 2.721 14.365 -0.908 55 1HD PRO 9 1HD PRO 9 1.711 12.391 0.643 56 2HD PRO 9 2HD PRO 9 0.646 13.684 0.014 57 H ARG 10 H ARG 10 1.416 11.560 -4.881 58 HA ARG 10 HA ARG 10 2.972 9.126 -4.473 59 1HB ARG 10 1HB ARG 10 1.500 7.898 -6.176 60 2HB ARG 10 2HB ARG 10 0.917 8.013 -4.523 61 1HG ARG 10 1HG ARG 10 -0.041 10.110 -6.461 62 2HG ARG 10 2HG ARG 10 -0.668 8.467 -6.636 63 1HD ARG 10 1HD ARG 10 -1.559 8.429 -4.403 64 2HD ARG 10 2HD ARG 10 -0.724 9.917 -3.971 65 HE ARG 10 HE ARG 10 -2.509 10.287 -6.199 66 1HH1 ARG 10 1HH1 ARG 10 -2.194 10.386 -2.650 67 2HH1 ARG 10 2HH1 ARG 10 -3.338 11.581 -2.421 68 1HH2 ARG 10 1HH2 ARG 10 -4.184 11.836 -5.884 69 2HH2 ARG 10 2HH2 ARG 10 -4.607 12.312 -4.284 70 H GLY 11 H GLY 11 4.087 8.532 -6.478 71 1HA GLY 11 1HA GLY 11 5.322 9.054 -8.316 72 2HA GLY 11 2HA GLY 11 4.070 10.203 -8.814 73 H ARG 12 H ARG 12 5.003 11.061 -5.736 74 HA ARG 12 HA ARG 12 7.493 12.453 -6.237 75 1HB ARG 12 1HB ARG 12 4.885 13.950 -5.643 76 2HB ARG 12 2HB ARG 12 6.495 14.598 -5.316 77 1HG ARG 12 1HG ARG 12 7.055 14.359 -7.749 78 2HG ARG 12 2HG ARG 12 5.374 13.868 -8.052 79 1HD ARG 12 1HD ARG 12 4.548 16.005 -7.192 80 2HD ARG 12 2HD ARG 12 6.203 16.503 -6.773 81 HE ARG 12 HE ARG 12 6.124 15.796 -9.508 82 1HH1 ARG 12 1HH1 ARG 12 4.905 18.352 -7.389 83 2HH1 ARG 12 2HH1 ARG 12 4.943 19.604 -8.573 84 1HH2 ARG 12 1HH2 ARG 12 6.196 17.449 -11.138 85 2HH2 ARG 12 2HH2 ARG 12 5.697 19.056 -10.788 86 H PHE 13 H PHE 13 8.291 11.215 -4.657 87 HA PHE 13 HA PHE 13 8.399 9.983 -2.649 88 1HB PHE 13 1HB PHE 13 8.814 12.918 -2.039 89 2HB PHE 13 2HB PHE 13 9.490 11.568 -1.130 90 HD1 PHE 13 HD1 PHE 13 11.056 9.914 -2.374 91 HD2 PHE 13 HD2 PHE 13 9.970 13.789 -3.941 92 HE1 PHE 13 HE1 PHE 13 12.969 9.821 -3.948 93 HE2 PHE 13 HE2 PHE 13 11.891 13.682 -5.511 94 HZ PHE 13 HZ PHE 13 13.386 11.699 -5.520 95 H GLY 14 H GLY 14 6.199 9.143 -2.273 96 1HA GLY 14 1HA GLY 14 4.952 10.282 0.088 97 2HA GLY 14 2HA GLY 14 3.999 10.389 -1.394 98 H ILE 15 H ILE 15 2.606 8.938 0.065 99 HA ILE 15 HA ILE 15 3.468 6.062 0.126 100 HB ILE 15 HB ILE 15 1.732 7.612 2.062 101 1HG1 ILE 15 1HG1 ILE 15 4.523 6.446 2.473 102 2HG1 ILE 15 2HG1 ILE 15 4.149 8.156 2.297 103 1HG2 ILE 15 1HG2 ILE 15 1.618 5.555 3.376 104 2HG2 ILE 15 2HG2 ILE 15 0.994 5.245 1.770 105 3HG2 ILE 15 3HG2 ILE 15 2.619 4.699 2.187 106 1HD1 ILE 15 1HD1 ILE 15 4.454 7.743 4.613 107 2HD1 ILE 15 2HD1 ILE 15 2.724 8.043 4.353 108 3HD1 ILE 15 3HD1 ILE 15 3.324 6.384 4.613 109 HA PRO 16 HA PRO 16 -0.298 6.071 -2.453 110 1HB PRO 16 1HB PRO 16 0.531 4.080 -4.209 111 2HB PRO 16 2HB PRO 16 0.904 5.802 -4.436 112 1HG PRO 16 1HG PRO 16 2.651 3.659 -3.226 113 2HG PRO 16 2HG PRO 16 3.102 4.910 -4.425 114 1HD PRO 16 1HD PRO 16 3.653 5.198 -1.778 115 2HD PRO 16 2HD PRO 16 3.171 6.598 -2.752 116 H PHE 17 H PHE 17 -1.287 3.578 -3.101 117 HA PHE 17 HA PHE 17 -1.895 2.284 -0.643 118 1HB PHE 17 1HB PHE 17 -3.030 0.649 -2.204 119 2HB PHE 17 2HB PHE 17 -3.484 2.325 -2.410 120 HD1 PHE 17 HD1 PHE 17 -3.152 3.482 -4.501 121 HD2 PHE 17 HD2 PHE 17 -1.419 -0.432 -3.891 122 HE1 PHE 17 HE1 PHE 17 -2.501 3.386 -6.890 123 HE2 PHE 17 HE2 PHE 17 -0.776 -0.510 -6.273 124 HZ PHE 17 HZ PHE 17 -1.306 1.396 -7.780 125 H PHE 18 H PHE 18 1.093 2.249 -1.393 126 HA PHE 18 HA PHE 18 1.886 -0.261 -2.350 127 1HB PHE 18 1HB PHE 18 4.070 0.265 -1.805 128 2HB PHE 18 2HB PHE 18 3.320 1.811 -2.086 129 HD1 PHE 18 HD1 PHE 18 3.473 3.562 -0.460 130 HD2 PHE 18 HD2 PHE 18 4.601 -0.474 0.536 131 HE1 PHE 18 HE1 PHE 18 4.745 4.380 1.506 132 HE2 PHE 18 HE2 PHE 18 5.742 0.344 2.574 133 HZ PHE 18 HZ PHE 18 5.825 2.780 3.054 134 HA PRO 19 HA PRO 19 2.278 -1.919 2.081 135 1HB PRO 19 1HB PRO 19 0.677 -1.077 4.151 136 2HB PRO 19 2HB PRO 19 2.234 -0.312 3.718 137 1HG PRO 19 1HG PRO 19 -0.549 0.538 2.849 138 2HG PRO 19 2HG PRO 19 0.736 1.550 3.591 139 1HD PRO 19 1HD PRO 19 0.385 1.500 0.950 140 2HD PRO 19 2HD PRO 19 2.029 1.510 1.632 141 H VAL 20 H VAL 20 -0.382 -1.725 0.109 142 HA VAL 20 HA VAL 20 -2.108 -3.702 1.399 143 HB VAL 20 HB VAL 20 -1.797 -2.432 -1.370 144 1HG1 VAL 20 1HG1 VAL 20 -3.626 -4.741 -0.731 145 2HG1 VAL 20 2HG1 VAL 20 -3.856 -3.607 -2.107 146 3HG1 VAL 20 3HG1 VAL 20 -2.422 -4.592 -2.031 147 1HG2 VAL 20 1HG2 VAL 20 -4.114 -2.407 0.620 148 2HG2 VAL 20 2HG2 VAL 20 -2.924 -1.098 0.403 149 3HG2 VAL 20 3HG2 VAL 20 -4.027 -1.511 -0.910 150 H HIS 21 H HIS 21 -0.044 -3.787 -1.466 151 HA HIS 21 HA HIS 21 -0.185 -6.499 -1.978 152 1HB HIS 21 1HB HIS 21 1.913 -4.396 -2.413 153 2HB HIS 21 2HB HIS 21 1.954 -5.935 -3.289 154 HD1 HIS 21 HD1 HIS 21 -0.563 -6.102 -4.935 155 HD2 HIS 21 HD2 HIS 21 0.840 -2.424 -3.404 156 HE1 HIS 21 HE1 HIS 21 -1.805 -4.271 -6.185 157 H LEU 22 H LEU 22 2.273 -4.792 -0.064 158 HA LEU 22 HA LEU 22 3.775 -7.138 0.623 159 1HB LEU 22 1HB LEU 22 3.600 -4.436 2.025 160 2HB LEU 22 2HB LEU 22 4.748 -5.710 2.357 161 HG LEU 22 HG LEU 22 6.047 -4.332 1.094 162 1HD1 LEU 22 1HD1 LEU 22 6.433 -5.257 -1.112 163 2HD1 LEU 22 2HD1 LEU 22 6.030 -6.582 -0.007 164 3HD1 LEU 22 3HD1 LEU 22 4.819 -5.978 -1.167 165 1HD2 LEU 22 1HD2 LEU 22 4.224 -2.740 0.527 166 2HD2 LEU 22 2HD2 LEU 22 5.397 -2.979 -0.773 167 3HD2 LEU 22 3HD2 LEU 22 3.809 -3.750 -0.879 168 H LYS 23 H LYS 23 1.139 -5.327 2.425 169 HA LYS 23 HA LYS 23 1.384 -7.117 4.688 170 1HB LYS 23 1HB LYS 23 0.389 -4.880 4.814 171 2HB LYS 23 2HB LYS 23 -0.957 -5.413 3.768 172 1HG LYS 23 1HG LYS 23 -1.801 -6.872 5.456 173 2HG LYS 23 2HG LYS 23 -0.324 -6.752 6.417 174 1HD LYS 23 1HD LYS 23 -2.188 -5.496 7.394 175 2HD LYS 23 2HD LYS 23 -0.811 -4.464 7.048 176 1HE LYS 23 1HE LYS 23 -3.154 -4.724 5.112 177 2HE LYS 23 2HE LYS 23 -3.230 -3.645 6.507 178 1HZ LYS 23 1HZ LYS 23 -2.503 -2.461 4.569 179 2HZ LYS 23 2HZ LYS 23 -1.296 -2.484 5.679 180 3HZ LYS 23 3HZ LYS 23 -1.205 -3.439 4.343 181 H ARG 24 H ARG 24 -0.253 -7.303 1.582 182 HA ARG 24 HA ARG 24 -1.897 -9.573 2.225 183 1HB ARG 24 1HB ARG 24 -2.457 -8.263 0.348 184 2HB ARG 24 2HB ARG 24 -0.875 -8.371 -0.360 185 1HG ARG 24 1HG ARG 24 -2.859 -10.681 -0.138 186 2HG ARG 24 2HG ARG 24 -2.656 -9.639 -1.535 187 1HD ARG 24 1HD ARG 24 -0.905 -11.873 -0.596 188 2HD ARG 24 2HD ARG 24 -1.485 -11.488 -2.208 189 HE ARG 24 HE ARG 24 0.281 -9.421 -1.326 190 1HH1 ARG 24 1HH1 ARG 24 0.469 -12.820 -2.317 191 2HH1 ARG 24 2HH1 ARG 24 2.136 -12.762 -2.738 192 1HH2 ARG 24 1HH2 ARG 24 2.428 -9.309 -1.784 193 2HH2 ARG 24 2HH2 ARG 24 3.302 -10.637 -2.490 194 H LEU 25 H LEU 25 1.547 -9.262 1.416 195 HA LEU 25 HA LEU 25 1.988 -12.076 0.928 196 1HB LEU 25 1HB LEU 25 3.523 -10.050 0.395 197 2HB LEU 25 2HB LEU 25 4.020 -10.115 2.078 198 HG LEU 25 HG LEU 25 4.228 -12.503 0.199 199 1HD1 LEU 25 1HD1 LEU 25 6.594 -11.879 -0.094 200 2HD1 LEU 25 2HD1 LEU 25 5.531 -10.605 -0.704 201 3HD1 LEU 25 3HD1 LEU 25 6.343 -10.411 0.868 202 1HD2 LEU 25 1HD2 LEU 25 6.042 -13.198 1.822 203 2HD2 LEU 25 2HD2 LEU 25 5.545 -11.873 2.890 204 3HD2 LEU 25 3HD2 LEU 25 4.439 -13.216 2.524 205 H LEU 26 H LEU 26 2.223 -9.904 3.781 206 HA LEU 26 HA LEU 26 2.980 -11.949 5.612 207 1HB LEU 26 1HB LEU 26 3.254 -9.553 6.087 208 2HB LEU 26 2HB LEU 26 1.500 -9.341 6.130 209 HG LEU 26 HG LEU 26 1.350 -10.832 8.114 210 1HD1 LEU 26 1HD1 LEU 26 4.406 -10.880 7.952 211 2HD1 LEU 26 2HD1 LEU 26 3.446 -11.423 9.344 212 3HD1 LEU 26 3HD1 LEU 26 3.312 -12.279 7.815 213 1HD2 LEU 26 1HD2 LEU 26 1.565 -8.400 8.385 214 2HD2 LEU 26 2HD2 LEU 26 2.356 -9.266 9.707 215 3HD2 LEU 26 3HD2 LEU 26 3.341 -8.548 8.416 216 H ILE 27 H ILE 27 -0.288 -10.728 4.759 217 HA ILE 27 HA ILE 27 -1.729 -12.385 6.571 218 HB ILE 27 HB ILE 27 -2.472 -11.099 3.919 219 1HG1 ILE 27 1HG1 ILE 27 -3.417 -10.425 6.745 220 2HG1 ILE 27 2HG1 ILE 27 -1.965 -9.715 6.065 221 1HG2 ILE 27 1HG2 ILE 27 -3.970 -13.040 4.187 222 2HG2 ILE 27 2HG2 ILE 27 -4.337 -12.554 5.850 223 3HG2 ILE 27 3HG2 ILE 27 -4.868 -11.559 4.478 224 1HD1 ILE 27 1HD1 ILE 27 -3.806 -8.175 5.790 225 2HD1 ILE 27 2HD1 ILE 27 -3.283 -8.748 4.192 226 3HD1 ILE 27 3HD1 ILE 27 -4.772 -9.381 4.936 227 H LEU 28 H LEU 28 -0.631 -13.027 3.175 228 HA LEU 28 HA LEU 28 -1.741 -15.673 3.079 229 1HB LEU 28 1HB LEU 28 -0.965 -14.192 1.181 230 2HB LEU 28 2HB LEU 28 0.682 -14.677 1.579 231 HG LEU 28 HG LEU 28 -0.354 -15.904 -0.238 232 1HD1 LEU 28 1HD1 LEU 28 0.036 -17.966 1.919 233 2HD1 LEU 28 2HD1 LEU 28 0.459 -18.034 0.217 234 3HD1 LEU 28 3HD1 LEU 28 1.380 -16.973 1.319 235 1HD2 LEU 28 1HD2 LEU 28 -2.195 -17.291 1.768 236 2HD2 LEU 28 2HD2 LEU 28 -2.736 -15.983 0.705 237 3HD2 LEU 28 3HD2 LEU 28 -2.159 -17.528 0.031 238 H LEU 29 H LEU 29 1.507 -14.569 3.959 239 HA LEU 29 HA LEU 29 2.645 -17.043 4.639 240 1HB LEU 29 1HB LEU 29 3.828 -14.899 4.585 241 2HB LEU 29 2HB LEU 29 3.043 -14.377 6.069 242 HG LEU 29 HG LEU 29 4.691 -16.932 6.009 243 1HD1 LEU 29 1HD1 LEU 29 6.104 -15.164 5.045 244 2HD1 LEU 29 2HD1 LEU 29 5.742 -14.098 6.425 245 3HD1 LEU 29 3HD1 LEU 29 6.664 -15.600 6.662 246 1HD2 LEU 29 1HD2 LEU 29 3.459 -16.571 8.115 247 2HD2 LEU 29 2HD2 LEU 29 5.163 -16.278 8.392 248 3HD2 LEU 29 3HD2 LEU 29 4.055 -14.901 8.216 249 H LEU 30 H LEU 30 0.656 -14.933 6.765 250 HA LEU 30 HA LEU 30 0.540 -16.715 8.978 251 1HB LEU 30 1HB LEU 30 -0.076 -14.310 9.013 252 2HB LEU 30 2HB LEU 30 -1.488 -14.672 8.037 253 HG LEU 30 HG LEU 30 -2.430 -16.086 9.843 254 1HD1 LEU 30 1HD1 LEU 30 0.019 -15.173 11.433 255 2HD1 LEU 30 2HD1 LEU 30 -1.420 -15.957 12.128 256 3HD1 LEU 30 3HD1 LEU 30 -0.407 -16.846 10.997 257 1HD2 LEU 30 1HD2 LEU 30 -2.989 -14.246 11.365 258 2HD2 LEU 30 2HD2 LEU 30 -1.629 -13.286 10.739 259 3HD2 LEU 30 3HD2 LEU 30 -3.002 -13.698 9.683 260 H LEU 31 H LEU 31 -1.569 -16.377 6.152 261 HA LEU 31 HA LEU 31 -3.460 -18.416 6.799 262 1HB LEU 31 1HB LEU 31 -3.703 -16.585 5.120 263 2HB LEU 31 2HB LEU 31 -2.690 -17.514 4.026 264 HG LEU 31 HG LEU 31 -4.929 -19.103 5.167 265 1HD1 LEU 31 1HD1 LEU 31 -6.066 -16.936 5.109 266 2HD1 LEU 31 2HD1 LEU 31 -5.591 -16.707 3.409 267 3HD1 LEU 31 3HD1 LEU 31 -6.704 -18.019 3.865 268 1HD2 LEU 31 1HD2 LEU 31 -5.262 -19.771 2.852 269 2HD2 LEU 31 2HD2 LEU 31 -4.214 -18.462 2.263 270 3HD2 LEU 31 3HD2 LEU 31 -3.532 -19.813 3.192 271 1HN NH2 32 1HN NH2 32 -0.115 -18.784 5.933 272 2HN NH2 32 2HN NH2 32 -0.218 -20.500 5.594 Start of MODEL 11 1 1H SER 1 1H SER 1 -5.287 4.262 -22.534 2 2H SER 1 2H SER 1 -6.703 4.909 -23.085 3 3H SER 1 3H SER 1 -5.295 5.039 -23.978 4 HA SER 1 HA SER 1 -5.839 7.114 -22.808 5 1HB SER 1 1HB SER 1 -5.437 6.965 -20.279 6 2HB SER 1 2HB SER 1 -6.890 6.135 -20.853 7 HG SER 1 HG SER 1 -4.520 5.118 -19.824 8 HA PRO 2 HA PRO 2 -1.202 7.201 -22.218 9 1HB PRO 2 1HB PRO 2 -0.896 9.036 -20.193 10 2HB PRO 2 2HB PRO 2 -1.180 9.514 -21.896 11 1HG PRO 2 1HG PRO 2 -3.218 9.251 -19.660 12 2HG PRO 2 2HG PRO 2 -2.984 10.631 -20.784 13 1HD PRO 2 1HD PRO 2 -4.881 8.748 -21.240 14 2HD PRO 2 2HD PRO 2 -3.943 9.442 -22.587 15 HA PRO 3 HA PRO 3 -1.182 4.520 -18.587 16 1HB PRO 3 1HB PRO 3 1.400 4.603 -17.714 17 2HB PRO 3 2HB PRO 3 0.967 3.895 -19.299 18 1HG PRO 3 1HG PRO 3 1.971 6.704 -18.717 19 2HG PRO 3 2HG PRO 3 2.593 5.542 -19.936 20 1HD PRO 3 1HD PRO 3 0.803 7.504 -20.569 21 2HD PRO 3 2HD PRO 3 0.740 5.896 -21.352 22 H ASP 4 H ASP 4 -0.346 4.606 -16.130 23 HA ASP 4 HA ASP 4 -1.219 7.156 -14.948 24 1HB ASP 4 1HB ASP 4 -1.707 5.913 -13.021 25 2HB ASP 4 2HB ASP 4 -2.238 4.837 -14.308 26 H TYR 5 H TYR 5 0.301 6.821 -12.540 27 HA TYR 5 HA TYR 5 3.019 7.468 -13.494 28 1HB TYR 5 1HB TYR 5 3.436 8.143 -11.207 29 2HB TYR 5 2HB TYR 5 2.126 9.021 -11.950 30 HD1 TYR 5 HD1 TYR 5 0.981 5.766 -10.633 31 HD2 TYR 5 HD2 TYR 5 1.865 9.869 -9.612 32 HE1 TYR 5 HE1 TYR 5 -0.295 5.514 -8.572 33 HE2 TYR 5 HE2 TYR 5 0.577 9.621 -7.521 34 HH TYR 5 HH TYR 5 -1.049 8.196 -6.424 35 H SER 6 H SER 6 2.528 5.004 -14.227 36 HA SER 6 HA SER 6 2.460 2.822 -12.754 37 1HB SER 6 1HB SER 6 4.184 2.993 -15.227 38 2HB SER 6 2HB SER 6 3.155 1.657 -14.679 39 HG SER 6 HG SER 6 1.345 3.211 -14.944 40 H ALA 7 H ALA 7 5.144 4.773 -12.293 41 HA ALA 7 HA ALA 7 7.247 2.788 -11.972 42 1HB ALA 7 1HB ALA 7 6.840 5.526 -10.667 43 2HB ALA 7 2HB ALA 7 8.323 4.548 -10.567 44 3HB ALA 7 3HB ALA 7 7.791 5.194 -12.133 45 H ALA 8 H ALA 8 7.383 1.335 -10.356 46 HA ALA 8 HA ALA 8 5.404 0.407 -8.881 47 1HB ALA 8 1HB ALA 8 8.308 0.414 -7.975 48 2HB ALA 8 2HB ALA 8 7.048 -0.708 -7.415 49 3HB ALA 8 3HB ALA 8 7.553 -0.728 -9.116 50 HA PRO 9 HA PRO 9 4.719 3.779 -6.018 51 1HB PRO 9 1HB PRO 9 2.488 2.922 -4.731 52 2HB PRO 9 2HB PRO 9 2.463 3.567 -6.399 53 1HG PRO 9 1HG PRO 9 2.467 0.664 -5.528 54 2HG PRO 9 2HG PRO 9 1.490 1.442 -6.814 55 1HD PRO 9 1HD PRO 9 3.779 0.050 -7.350 56 2HD PRO 9 2HD PRO 9 3.294 1.482 -8.309 57 H ARG 10 H ARG 10 6.418 3.655 -4.737 58 HA ARG 10 HA ARG 10 6.045 2.906 -1.989 59 1HB ARG 10 1HB ARG 10 8.154 1.656 -1.756 60 2HB ARG 10 2HB ARG 10 6.864 0.828 -2.564 61 1HG ARG 10 1HG ARG 10 8.506 0.206 -4.052 62 2HG ARG 10 2HG ARG 10 8.267 1.802 -4.755 63 1HD ARG 10 1HD ARG 10 10.073 2.590 -3.000 64 2HD ARG 10 2HD ARG 10 10.394 0.880 -2.796 65 HE ARG 10 HE ARG 10 11.297 0.737 -4.919 66 1HH1 ARG 10 1HH1 ARG 10 9.997 4.041 -4.497 67 2HH1 ARG 10 2HH1 ARG 10 11.104 4.776 -5.579 68 1HH2 ARG 10 1HH2 ARG 10 12.713 1.708 -6.470 69 2HH2 ARG 10 2HH2 ARG 10 12.618 3.391 -6.801 70 H GLY 11 H GLY 11 6.703 4.591 -1.100 71 1HA GLY 11 1HA GLY 11 7.357 6.849 -0.839 72 2HA GLY 11 2HA GLY 11 8.956 6.189 -1.146 73 H ARG 12 H ARG 12 6.410 8.088 -2.392 74 HA ARG 12 HA ARG 12 7.960 8.954 -4.705 75 1HB ARG 12 1HB ARG 12 5.284 7.523 -5.120 76 2HB ARG 12 2HB ARG 12 5.960 8.713 -6.237 77 1HG ARG 12 1HG ARG 12 8.096 7.198 -6.195 78 2HG ARG 12 2HG ARG 12 7.003 5.938 -5.620 79 1HD ARG 12 1HD ARG 12 6.511 7.598 -8.154 80 2HD ARG 12 2HD ARG 12 7.468 6.128 -8.143 81 HE ARG 12 HE ARG 12 5.647 4.839 -8.098 82 1HH1 ARG 12 1HH1 ARG 12 4.400 8.127 -7.416 83 2HH1 ARG 12 2HH1 ARG 12 2.823 7.712 -8.000 84 1HH2 ARG 12 1HH2 ARG 12 3.702 4.471 -8.945 85 2HH2 ARG 12 2HH2 ARG 12 2.392 5.556 -8.801 86 H PHE 13 H PHE 13 7.995 10.872 -3.728 87 HA PHE 13 HA PHE 13 7.417 12.761 -2.603 88 1HB PHE 13 1HB PHE 13 5.571 12.555 -4.956 89 2HB PHE 13 2HB PHE 13 5.808 14.068 -4.060 90 HD1 PHE 13 HD1 PHE 13 8.357 14.807 -3.762 91 HD2 PHE 13 HD2 PHE 13 6.898 12.181 -6.865 92 HE1 PHE 13 HE1 PHE 13 10.373 15.280 -5.121 93 HE2 PHE 13 HE2 PHE 13 8.921 12.672 -8.219 94 HZ PHE 13 HZ PHE 13 10.661 14.214 -7.345 95 H GLY 14 H GLY 14 6.340 10.550 -1.282 96 1HA GLY 14 1HA GLY 14 4.782 11.284 0.711 97 2HA GLY 14 2HA GLY 14 3.574 11.156 -0.590 98 H ILE 15 H ILE 15 2.889 9.495 1.033 99 HA ILE 15 HA ILE 15 4.069 6.757 0.707 100 HB ILE 15 HB ILE 15 2.325 8.092 2.799 101 1HG1 ILE 15 1HG1 ILE 15 5.109 6.861 2.985 102 2HG1 ILE 15 2HG1 ILE 15 4.733 8.577 2.992 103 1HG2 ILE 15 1HG2 ILE 15 1.432 5.852 2.433 104 2HG2 ILE 15 2HG2 ILE 15 3.035 5.140 2.595 105 3HG2 ILE 15 3HG2 ILE 15 2.242 5.918 3.980 106 1HD1 ILE 15 1HD1 ILE 15 3.422 8.259 5.109 107 2HD1 ILE 15 2HD1 ILE 15 4.035 6.585 5.170 108 3HD1 ILE 15 3HD1 ILE 15 5.164 7.942 5.241 109 HA PRO 16 HA PRO 16 0.264 6.778 -1.823 110 1HB PRO 16 1HB PRO 16 1.034 4.880 -3.660 111 2HB PRO 16 2HB PRO 16 1.513 6.596 -3.789 112 1HG PRO 16 1HG PRO 16 3.120 4.297 -2.649 113 2HG PRO 16 2HG PRO 16 3.655 5.552 -3.810 114 1HD PRO 16 1HD PRO 16 4.171 5.732 -1.135 115 2HD PRO 16 2HD PRO 16 3.813 7.182 -2.108 116 H PHE 17 H PHE 17 -0.817 4.369 -2.464 117 HA PHE 17 HA PHE 17 -1.405 3.016 -0.047 118 1HB PHE 17 1HB PHE 17 -2.614 1.471 -1.638 119 2HB PHE 17 2HB PHE 17 -3.004 3.168 -1.795 120 HD1 PHE 17 HD1 PHE 17 -1.102 0.358 -3.389 121 HD2 PHE 17 HD2 PHE 17 -2.600 4.392 -3.842 122 HE1 PHE 17 HE1 PHE 17 -0.530 0.314 -5.788 123 HE2 PHE 17 HE2 PHE 17 -1.988 4.342 -6.239 124 HZ PHE 17 HZ PHE 17 -0.963 2.304 -7.223 125 H PHE 18 H PHE 18 1.563 2.901 -0.831 126 HA PHE 18 HA PHE 18 2.337 0.463 -1.902 127 1HB PHE 18 1HB PHE 18 4.510 0.931 -1.265 128 2HB PHE 18 2HB PHE 18 3.767 2.502 -1.422 129 HD1 PHE 18 HD1 PHE 18 4.981 -0.016 0.996 130 HD2 PHE 18 HD2 PHE 18 3.928 4.113 0.341 131 HE1 PHE 18 HE1 PHE 18 6.157 0.607 3.082 132 HE2 PHE 18 HE2 PHE 18 5.228 4.734 2.378 133 HZ PHE 18 HZ PHE 18 6.295 2.992 3.763 134 HA PRO 19 HA PRO 19 2.703 -1.459 2.461 135 1HB PRO 19 1HB PRO 19 0.866 -0.878 4.432 136 2HB PRO 19 2HB PRO 19 2.451 -0.067 4.237 137 1HG PRO 19 1HG PRO 19 -0.250 0.855 3.205 138 2HG PRO 19 2HG PRO 19 0.966 1.801 4.129 139 1HD PRO 19 1HD PRO 19 0.835 2.010 1.490 140 2HD PRO 19 2HD PRO 19 2.429 1.897 2.275 141 H VAL 20 H VAL 20 -0.250 -0.968 0.682 142 HA VAL 20 HA VAL 20 -1.878 -3.110 1.558 143 HB VAL 20 HB VAL 20 -1.303 -1.727 -1.102 144 1HG1 VAL 20 1HG1 VAL 20 -3.195 -4.045 -0.759 145 2HG1 VAL 20 2HG1 VAL 20 -3.283 -2.840 -2.091 146 3HG1 VAL 20 3HG1 VAL 20 -1.869 -3.844 -1.926 147 1HG2 VAL 20 1HG2 VAL 20 -3.797 -1.799 0.661 148 2HG2 VAL 20 2HG2 VAL 20 -2.595 -0.488 0.638 149 3HG2 VAL 20 3HG2 VAL 20 -3.566 -0.816 -0.800 150 H HIS 21 H HIS 21 0.507 -3.093 -1.044 151 HA HIS 21 HA HIS 21 0.334 -5.768 -1.775 152 1HB HIS 21 1HB HIS 21 2.490 -3.679 -1.774 153 2HB HIS 21 2HB HIS 21 2.669 -5.150 -2.732 154 HD1 HIS 21 HD1 HIS 21 0.004 -5.095 -4.468 155 HD2 HIS 21 HD2 HIS 21 2.031 -1.664 -3.070 156 HE1 HIS 21 HE1 HIS 21 -0.809 -3.143 -5.873 157 H LEU 22 H LEU 22 2.429 -4.242 0.578 158 HA LEU 22 HA LEU 22 3.930 -6.598 1.310 159 1HB LEU 22 1HB LEU 22 3.544 -3.915 2.714 160 2HB LEU 22 2HB LEU 22 4.613 -5.184 3.252 161 HG LEU 22 HG LEU 22 6.103 -3.824 2.201 162 1HD1 LEU 22 1HD1 LEU 22 5.293 -5.540 -0.188 163 2HD1 LEU 22 2HD1 LEU 22 6.878 -4.824 0.139 164 3HD1 LEU 22 3HD1 LEU 22 6.266 -6.112 1.192 165 1HD2 LEU 22 1HD2 LEU 22 5.790 -2.559 0.169 166 2HD2 LEU 22 2HD2 LEU 22 4.211 -3.302 -0.122 167 3HD2 LEU 22 3HD2 LEU 22 4.453 -2.239 1.279 168 H LYS 23 H LYS 23 1.130 -4.888 2.958 169 HA LYS 23 HA LYS 23 1.036 -6.900 5.020 170 1HB LYS 23 1HB LYS 23 -0.057 -4.740 5.326 171 2HB LYS 23 2HB LYS 23 -1.160 -5.057 3.973 172 1HG LYS 23 1HG LYS 23 -2.221 -6.863 5.135 173 2HG LYS 23 2HG LYS 23 -1.003 -6.895 6.408 174 1HD LYS 23 1HD LYS 23 -2.851 -4.513 5.964 175 2HD LYS 23 2HD LYS 23 -3.295 -5.920 6.945 176 1HE LYS 23 1HE LYS 23 -1.188 -5.569 8.304 177 2HE LYS 23 2HE LYS 23 -0.951 -4.038 7.448 178 1HZ LYS 23 1HZ LYS 23 -3.101 -3.311 8.334 179 2HZ LYS 23 2HZ LYS 23 -3.295 -4.742 9.121 180 3HZ LYS 23 3HZ LYS 23 -2.085 -3.729 9.557 181 H ARG 24 H ARG 24 -0.191 -6.786 1.695 182 HA ARG 24 HA ARG 24 -1.793 -9.162 1.931 183 1HB ARG 24 1HB ARG 24 -2.178 -7.626 0.158 184 2HB ARG 24 2HB ARG 24 -0.538 -7.705 -0.416 185 1HG ARG 24 1HG ARG 24 -2.572 -9.979 -0.566 186 2HG ARG 24 2HG ARG 24 -2.222 -8.832 -1.848 187 1HD ARG 24 1HD ARG 24 -0.600 -11.175 -0.938 188 2HD ARG 24 2HD ARG 24 -1.027 -10.651 -2.560 189 HE ARG 24 HE ARG 24 0.679 -8.702 -1.350 190 1HH1 ARG 24 1HH1 ARG 24 0.914 -12.009 -2.596 191 2HH1 ARG 24 2HH1 ARG 24 2.610 -11.944 -2.884 192 1HH2 ARG 24 1HH2 ARG 24 2.852 -8.581 -1.634 193 2HH2 ARG 24 2HH2 ARG 24 3.767 -9.853 -2.389 194 H LEU 25 H LEU 25 1.709 -8.659 1.446 195 HA LEU 25 HA LEU 25 2.250 -11.398 0.727 196 1HB LEU 25 1HB LEU 25 3.863 -9.410 0.475 197 2HB LEU 25 2HB LEU 25 4.090 -9.467 2.208 198 HG LEU 25 HG LEU 25 4.946 -11.786 2.081 199 1HD1 LEU 25 1HD1 LEU 25 4.755 -11.408 -0.948 200 2HD1 LEU 25 2HD1 LEU 25 5.631 -12.710 -0.122 201 3HD1 LEU 25 3HD1 LEU 25 3.885 -12.627 0.031 202 1HD2 LEU 25 1HD2 LEU 25 7.112 -11.196 1.081 203 2HD2 LEU 25 2HD2 LEU 25 6.381 -9.798 0.261 204 3HD2 LEU 25 3HD2 LEU 25 6.476 -9.857 2.037 205 H LEU 26 H LEU 26 2.225 -9.555 3.741 206 HA LEU 26 HA LEU 26 2.906 -11.695 5.504 207 1HB LEU 26 1HB LEU 26 2.986 -9.364 6.151 208 2HB LEU 26 2HB LEU 26 1.238 -9.196 6.042 209 HG LEU 26 HG LEU 26 2.355 -11.322 7.882 210 1HD1 LEU 26 1HD1 LEU 26 2.280 -8.344 8.550 211 2HD1 LEU 26 2HD1 LEU 26 2.603 -9.668 9.696 212 3HD1 LEU 26 3HD1 LEU 26 3.735 -9.355 8.383 213 1HD2 LEU 26 1HD2 LEU 26 -0.026 -9.401 8.094 214 2HD2 LEU 26 2HD2 LEU 26 -0.112 -11.136 7.720 215 3HD2 LEU 26 3HD2 LEU 26 0.427 -10.621 9.305 216 H ILE 27 H ILE 27 -0.349 -10.551 4.493 217 HA ILE 27 HA ILE 27 -1.817 -12.503 5.943 218 HB ILE 27 HB ILE 27 -2.441 -10.914 3.430 219 1HG1 ILE 27 1HG1 ILE 27 -3.598 -10.695 6.252 220 2HG1 ILE 27 2HG1 ILE 27 -2.176 -9.797 5.750 221 1HG2 ILE 27 1HG2 ILE 27 -4.834 -11.575 3.714 222 2HG2 ILE 27 2HG2 ILE 27 -3.828 -12.956 3.319 223 3HG2 ILE 27 3HG2 ILE 27 -4.354 -12.712 4.992 224 1HD1 ILE 27 1HD1 ILE 27 -4.098 -8.359 5.568 225 2HD1 ILE 27 2HD1 ILE 27 -3.496 -8.707 3.932 226 3HD1 ILE 27 3HD1 ILE 27 -4.958 -9.515 4.548 227 H LEU 28 H LEU 28 -0.449 -12.652 2.597 228 HA LEU 28 HA LEU 28 -1.356 -15.317 2.054 229 1HB LEU 28 1HB LEU 28 -0.491 -13.572 0.457 230 2HB LEU 28 2HB LEU 28 1.136 -13.994 0.982 231 HG LEU 28 HG LEU 28 0.421 -15.041 -1.082 232 1HD1 LEU 28 1HD1 LEU 28 1.342 -17.152 -0.783 233 2HD1 LEU 28 2HD1 LEU 28 2.028 -16.190 0.559 234 3HD1 LEU 28 3HD1 LEU 28 0.701 -17.334 0.841 235 1HD2 LEU 28 1HD2 LEU 28 -1.542 -16.774 0.491 236 2HD2 LEU 28 2HD2 LEU 28 -2.039 -15.389 -0.481 237 3HD2 LEU 28 3HD2 LEU 28 -1.263 -16.801 -1.243 238 H LEU 29 H LEU 29 1.750 -14.210 3.433 239 HA LEU 29 HA LEU 29 2.835 -16.778 3.851 240 1HB LEU 29 1HB LEU 29 4.079 -14.700 4.106 241 2HB LEU 29 2HB LEU 29 3.166 -14.254 5.542 242 HG LEU 29 HG LEU 29 4.645 -16.894 5.565 243 1HD1 LEU 29 1HD1 LEU 29 6.722 -15.769 6.269 244 2HD1 LEU 29 2HD1 LEU 29 6.289 -15.343 4.611 245 3HD1 LEU 29 3HD1 LEU 29 5.992 -14.183 5.928 246 1HD2 LEU 29 1HD2 LEU 29 4.221 -14.716 7.684 247 2HD2 LEU 29 2HD2 LEU 29 3.320 -16.240 7.578 248 3HD2 LEU 29 3HD2 LEU 29 5.038 -16.275 7.940 249 H LEU 30 H LEU 30 0.476 -15.052 5.894 250 HA LEU 30 HA LEU 30 0.376 -17.117 7.916 251 1HB LEU 30 1HB LEU 30 -0.331 -14.774 8.285 252 2HB LEU 30 2HB LEU 30 -1.635 -14.991 7.133 253 HG LEU 30 HG LEU 30 -2.695 -16.698 8.587 254 1HD1 LEU 30 1HD1 LEU 30 -1.908 -16.933 10.947 255 2HD1 LEU 30 2HD1 LEU 30 -0.760 -17.600 9.791 256 3HD1 LEU 30 3HD1 LEU 30 -0.439 -16.016 10.536 257 1HD2 LEU 30 1HD2 LEU 30 -3.452 -15.141 10.323 258 2HD2 LEU 30 2HD2 LEU 30 -2.072 -14.069 9.992 259 3HD2 LEU 30 3HD2 LEU 30 -3.327 -14.328 8.757 260 H LEU 31 H LEU 31 -1.612 -16.364 5.044 261 HA LEU 31 HA LEU 31 -2.762 -19.064 5.078 262 1HB LEU 31 1HB LEU 31 -4.332 -17.497 6.186 263 2HB LEU 31 2HB LEU 31 -4.276 -16.449 4.765 264 HG LEU 31 HG LEU 31 -5.294 -18.270 3.392 265 1HD1 LEU 31 1HD1 LEU 31 -6.343 -20.214 4.560 266 2HD1 LEU 31 2HD1 LEU 31 -4.583 -20.277 4.616 267 3HD1 LEU 31 3HD1 LEU 31 -5.492 -19.757 6.051 268 1HD2 LEU 31 1HD2 LEU 31 -6.700 -16.547 4.450 269 2HD2 LEU 31 2HD2 LEU 31 -7.548 -18.097 4.355 270 3HD2 LEU 31 3HD2 LEU 31 -6.863 -17.559 5.905 271 1HN NH2 32 1HN NH2 32 -1.086 -19.417 3.531 272 2HN NH2 32 2HN NH2 32 -1.376 -18.959 1.867 Start of MODEL 12 1 1H SER 1 1H SER 1 -15.335 22.027 -8.835 2 2H SER 1 2H SER 1 -15.907 23.497 -8.350 3 3H SER 1 3H SER 1 -15.983 23.036 -9.956 4 HA SER 1 HA SER 1 -14.152 24.616 -9.452 5 1HB SER 1 1HB SER 1 -12.178 23.398 -8.312 6 2HB SER 1 2HB SER 1 -13.555 23.778 -7.270 7 HG SER 1 HG SER 1 -12.615 21.331 -8.180 8 HA PRO 2 HA PRO 2 -12.039 22.051 -12.758 9 1HB PRO 2 1HB PRO 2 -9.372 22.543 -12.254 10 2HB PRO 2 2HB PRO 2 -10.413 23.676 -13.169 11 1HG PRO 2 1HG PRO 2 -9.693 23.752 -10.219 12 2HG PRO 2 2HG PRO 2 -9.602 25.089 -11.412 13 1HD PRO 2 1HD PRO 2 -11.727 24.842 -9.756 14 2HD PRO 2 2HD PRO 2 -11.955 25.335 -11.452 15 HA PRO 3 HA PRO 3 -10.998 18.584 -10.077 16 1HB PRO 3 1HB PRO 3 -9.161 17.126 -11.493 17 2HB PRO 3 2HB PRO 3 -10.878 17.253 -11.989 18 1HG PRO 3 1HG PRO 3 -8.520 18.878 -12.996 19 2HG PRO 3 2HG PRO 3 -9.766 18.025 -13.965 20 1HD PRO 3 1HD PRO 3 -9.942 20.681 -13.429 21 2HD PRO 3 2HD PRO 3 -11.406 19.654 -13.455 22 H ASP 4 H ASP 4 -8.998 17.479 -8.983 23 HA ASP 4 HA ASP 4 -7.051 19.550 -8.254 24 1HB ASP 4 1HB ASP 4 -7.269 18.804 -6.056 25 2HB ASP 4 2HB ASP 4 -8.928 18.868 -6.644 26 H TYR 5 H TYR 5 -5.491 17.684 -6.629 27 HA TYR 5 HA TYR 5 -4.081 16.209 -8.772 28 1HB TYR 5 1HB TYR 5 -2.034 16.998 -7.610 29 2HB TYR 5 2HB TYR 5 -2.972 18.269 -8.359 30 HD1 TYR 5 HD1 TYR 5 -3.688 20.152 -7.089 31 HD2 TYR 5 HD2 TYR 5 -2.293 16.622 -5.030 32 HE1 TYR 5 HE1 TYR 5 -3.750 21.381 -4.952 33 HE2 TYR 5 HE2 TYR 5 -2.371 17.848 -2.881 34 HH TYR 5 HH TYR 5 -3.547 21.200 -2.621 35 H SER 6 H SER 6 -5.864 15.480 -6.048 36 HA SER 6 HA SER 6 -4.072 14.062 -4.420 37 1HB SER 6 1HB SER 6 -7.065 13.682 -4.772 38 2HB SER 6 2HB SER 6 -6.086 13.147 -3.388 39 HG SER 6 HG SER 6 -6.771 15.735 -4.248 40 H ALA 7 H ALA 7 -4.144 13.132 -7.420 41 HA ALA 7 HA ALA 7 -4.914 10.331 -7.383 42 1HB ALA 7 1HB ALA 7 -3.489 10.179 -9.415 43 2HB ALA 7 2HB ALA 7 -4.611 11.554 -9.518 44 3HB ALA 7 3HB ALA 7 -2.895 11.829 -9.123 45 H ALA 8 H ALA 8 -3.703 8.630 -6.693 46 HA ALA 8 HA ALA 8 -2.109 8.696 -4.578 47 1HB ALA 8 1HB ALA 8 -1.394 6.409 -5.081 48 2HB ALA 8 2HB ALA 8 -3.108 6.658 -5.455 49 3HB ALA 8 3HB ALA 8 -1.907 6.608 -6.770 50 HA PRO 9 HA PRO 9 1.476 10.695 -6.430 51 1HB PRO 9 1HB PRO 9 2.784 11.537 -4.184 52 2HB PRO 9 2HB PRO 9 1.284 12.294 -4.787 53 1HG PRO 9 1HG PRO 9 1.531 10.186 -2.617 54 2HG PRO 9 2HG PRO 9 0.621 11.731 -2.566 55 1HD PRO 9 1HD PRO 9 -0.573 9.361 -3.184 56 2HD PRO 9 2HD PRO 9 -1.069 10.887 -3.980 57 H ARG 10 H ARG 10 3.372 9.907 -7.118 58 HA ARG 10 HA ARG 10 5.046 8.183 -5.528 59 1HB ARG 10 1HB ARG 10 5.169 6.436 -7.440 60 2HB ARG 10 2HB ARG 10 3.870 6.353 -6.270 61 1HG ARG 10 1HG ARG 10 3.019 5.817 -8.440 62 2HG ARG 10 2HG ARG 10 2.269 7.294 -7.864 63 1HD ARG 10 1HD ARG 10 3.772 8.620 -9.350 64 2HD ARG 10 2HD ARG 10 4.505 7.103 -9.925 65 HE ARG 10 HE ARG 10 1.624 7.174 -10.165 66 1HH1 ARG 10 1HH1 ARG 10 4.566 8.364 -11.733 67 2HH1 ARG 10 2HH1 ARG 10 3.875 8.520 -13.305 68 1HH2 ARG 10 1HH2 ARG 10 0.653 7.384 -12.279 69 2HH2 ARG 10 2HH2 ARG 10 1.575 7.953 -13.610 70 H GLY 11 H GLY 11 7.196 7.961 -6.597 71 1HA GLY 11 1HA GLY 11 8.963 8.765 -7.766 72 2HA GLY 11 2HA GLY 11 7.855 9.300 -9.037 73 H ARG 12 H ARG 12 6.853 10.785 -6.262 74 HA ARG 12 HA ARG 12 8.795 12.937 -5.992 75 1HB ARG 12 1HB ARG 12 5.946 13.397 -7.013 76 2HB ARG 12 2HB ARG 12 6.863 14.615 -6.123 77 1HG ARG 12 1HG ARG 12 8.600 14.637 -7.885 78 2HG ARG 12 2HG ARG 12 7.712 13.394 -8.778 79 1HD ARG 12 1HD ARG 12 7.255 15.546 -9.757 80 2HD ARG 12 2HD ARG 12 5.782 14.907 -9.044 81 HE ARG 12 HE ARG 12 7.426 17.200 -8.158 82 1HH1 ARG 12 1HH1 ARG 12 4.528 15.253 -7.498 83 2HH1 ARG 12 2HH1 ARG 12 3.742 16.454 -6.549 84 1HH2 ARG 12 1HH2 ARG 12 6.378 18.828 -6.881 85 2HH2 ARG 12 2HH2 ARG 12 4.837 18.532 -6.183 86 H PHE 13 H PHE 13 9.006 12.172 -3.939 87 HA PHE 13 HA PHE 13 8.387 11.246 -1.865 88 1HB PHE 13 1HB PHE 13 7.672 14.192 -1.905 89 2HB PHE 13 2HB PHE 13 8.043 13.247 -0.464 90 HD1 PHE 13 HD1 PHE 13 10.357 12.164 -0.238 91 HD2 PHE 13 HD2 PHE 13 9.446 15.145 -3.225 92 HE1 PHE 13 HE1 PHE 13 12.778 12.562 -0.589 93 HE2 PHE 13 HE2 PHE 13 11.876 15.531 -3.567 94 HZ PHE 13 HZ PHE 13 13.539 14.238 -2.255 95 H GLY 14 H GLY 14 6.602 9.740 -2.433 96 1HA GLY 14 1HA GLY 14 4.065 10.570 -1.261 97 2HA GLY 14 2HA GLY 14 4.053 10.192 -2.997 98 H ILE 15 H ILE 15 2.618 8.753 -1.113 99 HA ILE 15 HA ILE 15 3.857 6.043 -1.001 100 HB ILE 15 HB ILE 15 2.475 7.685 1.139 101 1HG1 ILE 15 1HG1 ILE 15 5.137 6.193 1.117 102 2HG1 ILE 15 2HG1 ILE 15 4.931 7.929 0.939 103 1HG2 ILE 15 1HG2 ILE 15 2.870 4.669 1.131 104 2HG2 ILE 15 2HG2 ILE 15 2.427 5.628 2.560 105 3HG2 ILE 15 3HG2 ILE 15 1.344 5.546 1.190 106 1HD1 ILE 15 1HD1 ILE 15 5.606 7.545 3.177 107 2HD1 ILE 15 2HD1 ILE 15 3.899 8.025 3.223 108 3HD1 ILE 15 3HD1 ILE 15 4.363 6.317 3.442 109 HA PRO 16 HA PRO 16 -0.232 5.904 -3.013 110 1HB PRO 16 1HB PRO 16 0.250 3.866 -4.769 111 2HB PRO 16 2HB PRO 16 0.849 5.524 -5.074 112 1HG PRO 16 1HG PRO 16 2.368 3.198 -3.878 113 2HG PRO 16 2HG PRO 16 2.881 4.283 -5.207 114 1HD PRO 16 1HD PRO 16 3.651 4.667 -2.604 115 2HD PRO 16 2HD PRO 16 3.367 6.038 -3.708 116 H PHE 17 H PHE 17 -1.382 3.421 -3.322 117 HA PHE 17 HA PHE 17 -1.661 2.319 -0.708 118 1HB PHE 17 1HB PHE 17 -3.077 0.649 -1.973 119 2HB PHE 17 2HB PHE 17 -3.495 2.329 -2.204 120 HD1 PHE 17 HD1 PHE 17 -3.556 3.316 -4.377 121 HD2 PHE 17 HD2 PHE 17 -1.701 -0.556 -3.840 122 HE1 PHE 17 HE1 PHE 17 -3.326 3.072 -6.830 123 HE2 PHE 17 HE2 PHE 17 -1.472 -0.779 -6.281 124 HZ PHE 17 HZ PHE 17 -2.279 1.030 -7.791 125 H PHE 18 H PHE 18 1.197 2.116 -1.779 126 HA PHE 18 HA PHE 18 1.803 -0.407 -2.798 127 1HB PHE 18 1HB PHE 18 4.050 0.032 -2.443 128 2HB PHE 18 2HB PHE 18 3.346 1.616 -2.602 129 HD1 PHE 18 HD1 PHE 18 4.807 -0.805 -0.248 130 HD2 PHE 18 HD2 PHE 18 3.594 3.293 -0.842 131 HE1 PHE 18 HE1 PHE 18 6.077 -0.143 1.770 132 HE2 PHE 18 HE2 PHE 18 4.952 3.946 1.146 133 HZ PHE 18 HZ PHE 18 6.151 2.243 2.461 134 HA PRO 19 HA PRO 19 2.589 -2.099 1.589 135 1HB PRO 19 1HB PRO 19 1.077 -1.325 3.746 136 2HB PRO 19 2HB PRO 19 2.626 -0.561 3.272 137 1HG PRO 19 1HG PRO 19 -0.185 0.342 2.556 138 2HG PRO 19 2HG PRO 19 1.149 1.322 3.256 139 1HD PRO 19 1HD PRO 19 0.687 1.368 0.643 140 2HD PRO 19 2HD PRO 19 2.361 1.280 1.240 141 H VAL 20 H VAL 20 -0.494 -1.622 0.089 142 HA VAL 20 HA VAL 20 -2.117 -3.576 1.350 143 HB VAL 20 HB VAL 20 -1.792 -2.474 -1.478 144 1HG1 VAL 20 1HG1 VAL 20 -3.716 -4.663 -0.711 145 2HG1 VAL 20 2HG1 VAL 20 -3.913 -3.579 -2.134 146 3HG1 VAL 20 3HG1 VAL 20 -2.526 -4.630 -2.032 147 1HG2 VAL 20 1HG2 VAL 20 -3.985 -1.447 -1.011 148 2HG2 VAL 20 2HG2 VAL 20 -4.064 -2.275 0.557 149 3HG2 VAL 20 3HG2 VAL 20 -2.835 -1.024 0.262 150 H HIS 21 H HIS 21 -0.050 -3.945 -1.485 151 HA HIS 21 HA HIS 21 -0.413 -6.671 -1.899 152 1HB HIS 21 1HB HIS 21 1.815 -4.725 -2.399 153 2HB HIS 21 2HB HIS 21 1.771 -6.297 -3.212 154 HD1 HIS 21 HD1 HIS 21 -0.811 -6.353 -4.812 155 HD2 HIS 21 HD2 HIS 21 0.933 -2.734 -3.521 156 HE1 HIS 21 HE1 HIS 21 -1.913 -4.493 -6.153 157 H LEU 22 H LEU 22 2.082 -5.005 -0.041 158 HA LEU 22 HA LEU 22 3.515 -7.359 0.777 159 1HB LEU 22 1HB LEU 22 3.431 -4.547 1.948 160 2HB LEU 22 2HB LEU 22 4.523 -5.820 2.441 161 HG LEU 22 HG LEU 22 5.904 -4.645 1.064 162 1HD1 LEU 22 1HD1 LEU 22 4.640 -6.458 -1.044 163 2HD1 LEU 22 2HD1 LEU 22 6.283 -5.809 -1.031 164 3HD1 LEU 22 3HD1 LEU 22 5.803 -6.994 0.195 165 1HD2 LEU 22 1HD2 LEU 22 4.214 -3.018 0.300 166 2HD2 LEU 22 2HD2 LEU 22 5.335 -3.491 -0.979 167 3HD2 LEU 22 3HD2 LEU 22 3.695 -4.151 -0.967 168 H LYS 23 H LYS 23 0.990 -5.355 2.515 169 HA LYS 23 HA LYS 23 1.093 -7.080 4.824 170 1HB LYS 23 1HB LYS 23 0.118 -4.844 4.946 171 2HB LYS 23 2HB LYS 23 -1.150 -5.284 3.790 172 1HG LYS 23 1HG LYS 23 -2.151 -6.827 5.306 173 2HG LYS 23 2HG LYS 23 -0.773 -6.807 6.406 174 1HD LYS 23 1HD LYS 23 -2.518 -4.359 5.902 175 2HD LYS 23 2HD LYS 23 -2.878 -5.583 7.133 176 1HE LYS 23 1HE LYS 23 -0.573 -5.217 8.101 177 2HE LYS 23 2HE LYS 23 -0.369 -3.856 6.990 178 1HZ LYS 23 1HZ LYS 23 -2.292 -2.809 8.053 179 2HZ LYS 23 2HZ LYS 23 -2.463 -4.090 9.075 180 3HZ LYS 23 3HZ LYS 23 -1.130 -3.142 9.166 181 H ARG 24 H ARG 24 -0.530 -7.286 1.691 182 HA ARG 24 HA ARG 24 -2.135 -9.572 2.386 183 1HB ARG 24 1HB ARG 24 -2.730 -8.187 0.513 184 2HB ARG 24 2HB ARG 24 -1.198 -8.465 -0.280 185 1HG ARG 24 1HG ARG 24 -2.633 -11.008 0.220 186 2HG ARG 24 2HG ARG 24 -3.611 -9.849 -0.656 187 1HD ARG 24 1HD ARG 24 -2.435 -11.190 -2.270 188 2HD ARG 24 2HD ARG 24 -1.845 -9.540 -2.341 189 HE ARG 24 HE ARG 24 0.225 -10.166 -1.492 190 1HH1 ARG 24 1HH1 ARG 24 -1.926 -12.981 -1.342 191 2HH1 ARG 24 2HH1 ARG 24 -0.680 -14.161 -1.471 192 1HH2 ARG 24 1HH2 ARG 24 1.927 -11.739 -1.727 193 2HH2 ARG 24 2HH2 ARG 24 1.579 -13.423 -1.639 194 H LEU 25 H LEU 25 1.224 -9.210 1.271 195 HA LEU 25 HA LEU 25 1.708 -12.018 0.864 196 1HB LEU 25 1HB LEU 25 3.125 -9.989 0.141 197 2HB LEU 25 2HB LEU 25 3.768 -9.963 1.776 198 HG LEU 25 HG LEU 25 3.903 -12.417 -0.024 199 1HD1 LEU 25 1HD1 LEU 25 6.209 -11.724 -0.552 200 2HD1 LEU 25 2HD1 LEU 25 5.048 -10.513 -1.106 201 3HD1 LEU 25 3HD1 LEU 25 5.988 -10.229 0.376 202 1HD2 LEU 25 1HD2 LEU 25 4.343 -13.032 2.300 203 2HD2 LEU 25 2HD2 LEU 25 5.874 -12.993 1.450 204 3HD2 LEU 25 3HD2 LEU 25 5.432 -11.643 2.511 205 H LEU 26 H LEU 26 2.179 -9.833 3.651 206 HA LEU 26 HA LEU 26 3.061 -11.798 5.484 207 1HB LEU 26 1HB LEU 26 3.278 -9.407 5.826 208 2HB LEU 26 2HB LEU 26 1.538 -9.197 5.976 209 HG LEU 26 HG LEU 26 2.912 -11.117 7.867 210 1HD1 LEU 26 1HD1 LEU 26 3.471 -9.261 9.395 211 2HD1 LEU 26 2HD1 LEU 26 4.378 -9.147 7.888 212 3HD1 LEU 26 3HD1 LEU 26 2.980 -8.080 8.158 213 1HD2 LEU 26 1HD2 LEU 26 0.456 -10.876 8.080 214 2HD2 LEU 26 2HD2 LEU 26 1.249 -10.184 9.480 215 3HD2 LEU 26 3HD2 LEU 26 0.618 -9.113 8.210 216 H ILE 27 H ILE 27 -0.307 -10.668 4.896 217 HA ILE 27 HA ILE 27 -1.508 -12.407 6.801 218 HB ILE 27 HB ILE 27 -2.551 -11.024 4.308 219 1HG1 ILE 27 1HG1 ILE 27 -3.150 -10.576 7.277 220 2HG1 ILE 27 2HG1 ILE 27 -1.873 -9.727 6.420 221 1HG2 ILE 27 1HG2 ILE 27 -4.867 -11.596 5.037 222 2HG2 ILE 27 2HG2 ILE 27 -3.963 -13.032 4.594 223 3HG2 ILE 27 3HG2 ILE 27 -4.197 -12.644 6.306 224 1HD1 ILE 27 1HD1 ILE 27 -4.852 -9.518 5.848 225 2HD1 ILE 27 2HD1 ILE 27 -3.780 -8.283 6.514 226 3HD1 ILE 27 3HD1 ILE 27 -3.581 -8.803 4.826 227 H LEU 28 H LEU 28 -0.698 -12.962 3.316 228 HA LEU 28 HA LEU 28 -1.786 -15.623 3.267 229 1HB LEU 28 1HB LEU 28 -1.178 -14.115 1.336 230 2HB LEU 28 2HB LEU 28 0.503 -14.574 1.602 231 HG LEU 28 HG LEU 28 -0.641 -15.798 -0.142 232 1HD1 LEU 28 1HD1 LEU 28 0.234 -17.922 0.224 233 2HD1 LEU 28 2HD1 LEU 28 1.214 -16.860 1.275 234 3HD1 LEU 28 3HD1 LEU 28 -0.072 -17.880 1.950 235 1HD2 LEU 28 1HD2 LEU 28 -2.316 -17.235 1.966 236 2HD2 LEU 28 2HD2 LEU 28 -2.949 -15.914 0.976 237 3HD2 LEU 28 3HD2 LEU 28 -2.408 -17.440 0.227 238 H LEU 29 H LEU 29 1.523 -14.494 3.918 239 HA LEU 29 HA LEU 29 2.676 -16.995 4.471 240 1HB LEU 29 1HB LEU 29 3.977 -14.919 4.379 241 2HB LEU 29 2HB LEU 29 3.197 -14.335 5.849 242 HG LEU 29 HG LEU 29 4.222 -16.178 7.159 243 1HD1 LEU 29 1HD1 LEU 29 4.506 -17.911 5.443 244 2HD1 LEU 29 2HD1 LEU 29 5.629 -16.871 4.531 245 3HD1 LEU 29 3HD1 LEU 29 6.073 -17.504 6.133 246 1HD2 LEU 29 1HD2 LEU 29 5.333 -13.990 6.972 247 2HD2 LEU 29 2HD2 LEU 29 6.514 -15.299 7.100 248 3HD2 LEU 29 3HD2 LEU 29 6.206 -14.541 5.522 249 H LEU 30 H LEU 30 0.864 -14.892 6.759 250 HA LEU 30 HA LEU 30 0.913 -16.677 8.971 251 1HB LEU 30 1HB LEU 30 0.284 -14.281 9.057 252 2HB LEU 30 2HB LEU 30 -1.182 -14.644 8.167 253 HG LEU 30 HG LEU 30 -2.019 -16.058 10.015 254 1HD1 LEU 30 1HD1 LEU 30 0.527 -15.178 11.465 255 2HD1 LEU 30 2HD1 LEU 30 -0.874 -15.959 12.236 256 3HD1 LEU 30 3HD1 LEU 30 0.063 -16.844 11.039 257 1HD2 LEU 30 1HD2 LEU 30 -1.144 -13.273 10.888 258 2HD2 LEU 30 2HD2 LEU 30 -2.581 -13.664 9.911 259 3HD2 LEU 30 3HD2 LEU 30 -2.472 -14.228 11.584 260 H LEU 31 H LEU 31 -1.391 -16.350 6.301 261 HA LEU 31 HA LEU 31 -3.205 -18.419 7.067 262 1HB LEU 31 1HB LEU 31 -3.599 -16.571 5.437 263 2HB LEU 31 2HB LEU 31 -2.655 -17.470 4.257 264 HG LEU 31 HG LEU 31 -4.779 -19.112 5.528 265 1HD1 LEU 31 1HD1 LEU 31 -5.951 -16.964 5.606 266 2HD1 LEU 31 2HD1 LEU 31 -5.612 -16.690 3.881 267 3HD1 LEU 31 3HD1 LEU 31 -6.666 -18.031 4.391 268 1HD2 LEU 31 1HD2 LEU 31 -3.527 -19.755 3.438 269 2HD2 LEU 31 2HD2 LEU 31 -5.279 -19.737 3.230 270 3HD2 LEU 31 3HD2 LEU 31 -4.301 -18.397 2.593 271 1HN NH2 32 1HN NH2 32 0.070 -18.738 5.976 272 2HN NH2 32 2HN NH2 32 -0.038 -20.450 5.613 Start of MODEL 13 1 1H SER 1 1H SER 1 -15.292 2.377 -9.638 2 2H SER 1 2H SER 1 -16.244 1.029 -9.698 3 3H SER 1 3H SER 1 -16.879 2.509 -9.252 4 HA SER 1 HA SER 1 -16.483 1.060 -7.320 5 1HB SER 1 1HB SER 1 -14.003 0.809 -6.746 6 2HB SER 1 2HB SER 1 -14.517 -0.102 -8.172 7 HG SER 1 HG SER 1 -12.881 2.140 -7.952 8 HA PRO 2 HA PRO 2 -15.242 5.113 -5.396 9 1HB PRO 2 1HB PRO 2 -13.852 4.318 -3.157 10 2HB PRO 2 2HB PRO 2 -15.641 4.331 -3.230 11 1HG PRO 2 1HG PRO 2 -13.764 1.988 -3.699 12 2HG PRO 2 2HG PRO 2 -15.211 2.048 -2.638 13 1HD PRO 2 1HD PRO 2 -15.346 1.014 -5.140 14 2HD PRO 2 2HD PRO 2 -16.681 1.999 -4.491 15 HA PRO 3 HA PRO 3 -10.972 5.081 -6.894 16 1HB PRO 3 1HB PRO 3 -9.857 7.273 -5.722 17 2HB PRO 3 2HB PRO 3 -11.196 7.426 -6.898 18 1HG PRO 3 1HG PRO 3 -11.381 7.397 -3.865 19 2HG PRO 3 2HG PRO 3 -12.088 8.593 -4.999 20 1HD PRO 3 1HD PRO 3 -13.525 6.486 -4.012 21 2HD PRO 3 2HD PRO 3 -13.774 7.088 -5.678 22 H ASP 4 H ASP 4 -8.534 5.382 -5.699 23 HA ASP 4 HA ASP 4 -8.492 3.305 -3.685 24 1HB ASP 4 1HB ASP 4 -6.197 3.290 -3.851 25 2HB ASP 4 2HB ASP 4 -6.741 3.486 -5.506 26 H TYR 5 H TYR 5 -8.883 3.803 -1.736 27 HA TYR 5 HA TYR 5 -9.368 6.306 -0.619 28 1HB TYR 5 1HB TYR 5 -9.487 5.208 1.509 29 2HB TYR 5 2HB TYR 5 -10.116 4.101 0.301 30 HD1 TYR 5 HD1 TYR 5 -7.366 4.805 2.666 31 HD2 TYR 5 HD2 TYR 5 -8.860 2.007 -0.265 32 HE1 TYR 5 HE1 TYR 5 -5.694 3.155 3.403 33 HE2 TYR 5 HE2 TYR 5 -7.171 0.345 0.465 34 HH TYR 5 HH TYR 5 -4.725 1.120 2.955 35 H SER 6 H SER 6 -6.265 5.096 -1.359 36 HA SER 6 HA SER 6 -4.847 6.636 0.750 37 1HB SER 6 1HB SER 6 -3.853 4.617 -1.285 38 2HB SER 6 2HB SER 6 -2.901 5.338 0.030 39 HG SER 6 HG SER 6 -5.280 4.003 0.667 40 H ALA 7 H ALA 7 -6.290 8.050 -1.183 41 HA ALA 7 HA ALA 7 -5.238 8.704 -3.602 42 1HB ALA 7 1HB ALA 7 -7.462 9.309 -2.749 43 2HB ALA 7 2HB ALA 7 -6.725 10.542 -1.691 44 3HB ALA 7 3HB ALA 7 -6.629 10.704 -3.457 45 H ALA 8 H ALA 8 -3.267 9.108 -1.095 46 HA ALA 8 HA ALA 8 -2.168 11.733 -1.225 47 1HB ALA 8 1HB ALA 8 -1.775 10.124 0.627 48 2HB ALA 8 2HB ALA 8 -0.994 9.002 -0.510 49 3HB ALA 8 3HB ALA 8 -0.223 10.544 -0.119 50 HA PRO 9 HA PRO 9 0.064 11.695 -4.987 51 1HB PRO 9 1HB PRO 9 2.570 12.733 -4.361 52 2HB PRO 9 2HB PRO 9 1.068 13.681 -4.556 53 1HG PRO 9 1HG PRO 9 2.305 12.647 -1.992 54 2HG PRO 9 2HG PRO 9 1.648 14.280 -2.330 55 1HD PRO 9 1HD PRO 9 0.177 12.448 -1.017 56 2HD PRO 9 2HD PRO 9 -0.594 13.489 -2.243 57 H ARG 10 H ARG 10 1.909 10.797 -6.187 58 HA ARG 10 HA ARG 10 3.215 8.466 -4.996 59 1HB ARG 10 1HB ARG 10 2.142 6.977 -6.746 60 2HB ARG 10 2HB ARG 10 1.093 7.555 -5.465 61 1HG ARG 10 1HG ARG 10 0.430 9.453 -7.269 62 2HG ARG 10 2HG ARG 10 1.075 8.272 -8.395 63 1HD ARG 10 1HD ARG 10 -1.329 8.022 -8.175 64 2HD ARG 10 2HD ARG 10 -0.538 6.591 -7.494 65 HE ARG 10 HE ARG 10 -1.034 8.490 -5.387 66 1HH1 ARG 10 1HH1 ARG 10 -3.025 6.534 -7.623 67 2HH1 ARG 10 2HH1 ARG 10 -4.225 6.251 -6.392 68 1HH2 ARG 10 1HH2 ARG 10 -2.610 7.916 -3.792 69 2HH2 ARG 10 2HH2 ARG 10 -3.886 6.822 -4.221 70 H GLY 11 H GLY 11 4.992 7.813 -6.267 71 1HA GLY 11 1HA GLY 11 6.758 8.103 -7.666 72 2HA GLY 11 2HA GLY 11 5.666 8.837 -8.852 73 H ARG 12 H ARG 12 5.362 10.627 -6.090 74 HA ARG 12 HA ARG 12 7.660 12.418 -6.268 75 1HB ARG 12 1HB ARG 12 4.741 13.296 -6.588 76 2HB ARG 12 2HB ARG 12 6.064 14.377 -6.194 77 1HG ARG 12 1HG ARG 12 5.765 12.862 -8.827 78 2HG ARG 12 2HG ARG 12 5.280 14.522 -8.519 79 1HD ARG 12 1HD ARG 12 7.320 14.774 -9.598 80 2HD ARG 12 2HD ARG 12 7.729 15.009 -7.887 81 HE ARG 12 HE ARG 12 7.967 12.261 -8.575 82 1HH1 ARG 12 1HH1 ARG 12 9.705 15.266 -9.296 83 2HH1 ARG 12 2HH1 ARG 12 11.208 14.489 -9.626 84 1HH2 ARG 12 1HH2 ARG 12 9.856 11.229 -8.979 85 2HH2 ARG 12 2HH2 ARG 12 11.310 12.059 -9.431 86 H PHE 13 H PHE 13 8.171 11.628 -4.319 87 HA PHE 13 HA PHE 13 7.920 10.816 -2.130 88 1HB PHE 13 1HB PHE 13 7.638 13.828 -2.102 89 2HB PHE 13 2HB PHE 13 8.256 12.838 -0.782 90 HD1 PHE 13 HD1 PHE 13 9.173 14.765 -3.632 91 HD2 PHE 13 HD2 PHE 13 10.333 11.285 -1.353 92 HE1 PHE 13 HE1 PHE 13 11.464 14.898 -4.577 93 HE2 PHE 13 HE2 PHE 13 12.613 11.424 -2.313 94 HZ PHE 13 HZ PHE 13 13.184 13.225 -3.924 95 H GLY 14 H GLY 14 5.825 9.594 -2.160 96 1HA GLY 14 1HA GLY 14 4.078 10.641 -0.147 97 2HA GLY 14 2HA GLY 14 3.310 10.552 -1.741 98 H ILE 15 H ILE 15 2.243 8.993 0.163 99 HA ILE 15 HA ILE 15 3.254 6.193 -0.192 100 HB ILE 15 HB ILE 15 2.050 7.538 2.242 101 1HG1 ILE 15 1HG1 ILE 15 4.868 6.461 1.782 102 2HG1 ILE 15 2HG1 ILE 15 4.416 8.155 1.913 103 1HG2 ILE 15 1HG2 ILE 15 2.282 5.396 3.385 104 2HG2 ILE 15 2HG2 ILE 15 1.286 5.175 1.962 105 3HG2 ILE 15 3HG2 ILE 15 2.970 4.650 1.930 106 1HD1 ILE 15 1HD1 ILE 15 3.633 7.750 4.256 107 2HD1 ILE 15 2HD1 ILE 15 4.308 6.103 4.144 108 3HD1 ILE 15 3HD1 ILE 15 5.371 7.507 3.993 109 HA PRO 16 HA PRO 16 -1.052 6.320 -1.711 110 1HB PRO 16 1HB PRO 16 -0.740 4.776 -3.944 111 2HB PRO 16 2HB PRO 16 -0.258 6.495 -3.905 112 1HG PRO 16 1HG PRO 16 1.523 4.076 -3.436 113 2HG PRO 16 2HG PRO 16 1.791 5.419 -4.591 114 1HD PRO 16 1HD PRO 16 2.930 5.433 -2.130 115 2HD PRO 16 2HD PRO 16 2.306 6.941 -2.824 116 H PHE 17 H PHE 17 -2.032 3.841 -2.567 117 HA PHE 17 HA PHE 17 -2.194 2.313 -0.218 118 1HB PHE 17 1HB PHE 17 -3.511 0.763 -1.643 119 2HB PHE 17 2HB PHE 17 -3.973 2.429 -1.874 120 HD1 PHE 17 HD1 PHE 17 -3.556 3.599 -3.977 121 HD2 PHE 17 HD2 PHE 17 -2.290 -0.491 -3.462 122 HE1 PHE 17 HE1 PHE 17 -3.230 3.402 -6.416 123 HE2 PHE 17 HE2 PHE 17 -1.912 -0.671 -5.899 124 HZ PHE 17 HZ PHE 17 -2.390 1.262 -7.390 125 H PHE 18 H PHE 18 0.656 2.425 -1.408 126 HA PHE 18 HA PHE 18 1.314 -0.045 -2.599 127 1HB PHE 18 1HB PHE 18 3.559 0.473 -2.411 128 2HB PHE 18 2HB PHE 18 2.767 2.026 -2.505 129 HD1 PHE 18 HD1 PHE 18 3.369 3.729 -0.994 130 HD2 PHE 18 HD2 PHE 18 4.342 -0.371 -0.112 131 HE1 PHE 18 HE1 PHE 18 4.971 4.468 0.746 132 HE2 PHE 18 HE2 PHE 18 5.830 0.372 1.718 133 HZ PHE 18 HZ PHE 18 6.161 2.799 2.142 134 HA PRO 19 HA PRO 19 2.455 -1.810 1.684 135 1HB PRO 19 1HB PRO 19 1.021 -1.152 3.934 136 2HB PRO 19 2HB PRO 19 2.532 -0.345 3.413 137 1HG PRO 19 1HG PRO 19 -0.323 0.532 2.885 138 2HG PRO 19 2HG PRO 19 1.040 1.516 3.518 139 1HD PRO 19 1HD PRO 19 0.373 1.593 0.946 140 2HD PRO 19 2HD PRO 19 2.093 1.575 1.406 141 H VAL 20 H VAL 20 -0.710 -1.437 0.339 142 HA VAL 20 HA VAL 20 -2.186 -3.492 1.612 143 HB VAL 20 HB VAL 20 -2.035 -2.323 -1.202 144 1HG1 VAL 20 1HG1 VAL 20 -4.132 -3.507 -1.785 145 2HG1 VAL 20 2HG1 VAL 20 -2.694 -4.490 -1.773 146 3HG1 VAL 20 3HG1 VAL 20 -3.819 -4.611 -0.401 147 1HG2 VAL 20 1HG2 VAL 20 -3.066 -0.950 0.614 148 2HG2 VAL 20 2HG2 VAL 20 -4.246 -1.397 -0.619 149 3HG2 VAL 20 3HG2 VAL 20 -4.224 -2.258 0.933 150 H HIS 21 H HIS 21 -0.228 -3.710 -1.325 151 HA HIS 21 HA HIS 21 -0.480 -6.442 -1.784 152 1HB HIS 21 1HB HIS 21 1.625 -4.377 -2.334 153 2HB HIS 21 2HB HIS 21 1.657 -5.948 -3.150 154 HD1 HIS 21 HD1 HIS 21 -0.848 -6.176 -4.781 155 HD2 HIS 21 HD2 HIS 21 0.509 -2.446 -3.346 156 HE1 HIS 21 HE1 HIS 21 -2.119 -4.393 -6.076 157 H LEU 22 H LEU 22 1.962 -4.701 0.039 158 HA LEU 22 HA LEU 22 3.592 -6.966 0.738 159 1HB LEU 22 1HB LEU 22 3.374 -4.182 1.961 160 2HB LEU 22 2HB LEU 22 4.564 -5.382 2.393 161 HG LEU 22 HG LEU 22 5.816 -4.117 0.987 162 1HD1 LEU 22 1HD1 LEU 22 4.575 -5.943 -1.120 163 2HD1 LEU 22 2HD1 LEU 22 6.174 -5.191 -1.155 164 3HD1 LEU 22 3HD1 LEU 22 5.824 -6.438 0.053 165 1HD2 LEU 22 1HD2 LEU 22 3.504 -3.707 -0.946 166 2HD2 LEU 22 2HD2 LEU 22 4.013 -2.575 0.326 167 3HD2 LEU 22 3HD2 LEU 22 5.104 -2.955 -1.006 168 H LYS 23 H LYS 23 1.028 -5.153 2.651 169 HA LYS 23 HA LYS 23 1.316 -6.993 4.860 170 1HB LYS 23 1HB LYS 23 0.252 -4.801 5.145 171 2HB LYS 23 2HB LYS 23 -1.076 -5.269 4.066 172 1HG LYS 23 1HG LYS 23 -1.858 -6.943 5.585 173 2HG LYS 23 2HG LYS 23 -0.398 -6.879 6.570 174 1HD LYS 23 1HD LYS 23 -2.325 -4.532 6.336 175 2HD LYS 23 2HD LYS 23 -2.512 -5.839 7.519 176 1HE LYS 23 1HE LYS 23 -0.156 -5.375 8.321 177 2HE LYS 23 2HE LYS 23 -0.138 -3.937 7.290 178 1HZ LYS 23 1HZ LYS 23 -2.032 -4.447 9.513 179 2HZ LYS 23 2HZ LYS 23 -0.760 -3.417 9.563 180 3HZ LYS 23 3HZ LYS 23 -2.029 -3.099 8.570 181 H ARG 24 H ARG 24 -0.422 -7.128 1.794 182 HA ARG 24 HA ARG 24 -1.922 -9.497 2.423 183 1HB ARG 24 1HB ARG 24 -2.677 -8.129 0.662 184 2HB ARG 24 2HB ARG 24 -1.141 -8.131 -0.160 185 1HG ARG 24 1HG ARG 24 -2.303 -10.862 0.089 186 2HG ARG 24 2HG ARG 24 -3.353 -9.725 -0.724 187 1HD ARG 24 1HD ARG 24 -1.919 -10.902 -2.333 188 2HD ARG 24 2HD ARG 24 -1.692 -9.162 -2.365 189 HE ARG 24 HE ARG 24 0.424 -9.342 -1.339 190 1HH1 ARG 24 1HH1 ARG 24 -0.933 -12.588 -1.814 191 2HH1 ARG 24 2HH1 ARG 24 0.584 -13.370 -2.028 192 1HH2 ARG 24 1HH2 ARG 24 2.443 -10.341 -1.655 193 2HH2 ARG 24 2HH2 ARG 24 2.579 -12.044 -1.916 194 H LEU 25 H LEU 25 1.462 -8.988 1.532 195 HA LEU 25 HA LEU 25 1.982 -11.767 0.873 196 1HB LEU 25 1HB LEU 25 3.417 -9.665 0.354 197 2HB LEU 25 2HB LEU 25 4.003 -9.782 2.005 198 HG LEU 25 HG LEU 25 4.179 -12.116 0.062 199 1HD1 LEU 25 1HD1 LEU 25 6.485 -11.389 -0.421 200 2HD1 LEU 25 2HD1 LEU 25 5.319 -10.165 -0.937 201 3HD1 LEU 25 3HD1 LEU 25 6.246 -9.933 0.562 202 1HD2 LEU 25 1HD2 LEU 25 6.132 -12.758 1.517 203 2HD2 LEU 25 2HD2 LEU 25 5.711 -11.438 2.624 204 3HD2 LEU 25 3HD2 LEU 25 4.606 -12.807 2.377 205 H LEU 26 H LEU 26 2.230 -9.716 3.794 206 HA LEU 26 HA LEU 26 3.081 -11.805 5.543 207 1HB LEU 26 1HB LEU 26 3.270 -9.423 6.111 208 2HB LEU 26 2HB LEU 26 1.511 -9.275 6.163 209 HG LEU 26 HG LEU 26 1.413 -10.837 8.091 210 1HD1 LEU 26 1HD1 LEU 26 3.429 -12.199 7.738 211 2HD1 LEU 26 2HD1 LEU 26 4.469 -10.768 7.934 212 3HD1 LEU 26 3HD1 LEU 26 3.526 -11.400 9.301 213 1HD2 LEU 26 1HD2 LEU 26 1.542 -8.408 8.439 214 2HD2 LEU 26 2HD2 LEU 26 2.366 -9.289 9.735 215 3HD2 LEU 26 3HD2 LEU 26 3.323 -8.496 8.467 216 H ILE 27 H ILE 27 -0.236 -10.692 4.725 217 HA ILE 27 HA ILE 27 -1.601 -12.502 6.455 218 HB ILE 27 HB ILE 27 -2.409 -11.130 3.870 219 1HG1 ILE 27 1HG1 ILE 27 -3.386 -10.630 6.721 220 2HG1 ILE 27 2HG1 ILE 27 -1.964 -9.826 6.084 221 1HG2 ILE 27 1HG2 ILE 27 -3.814 -13.143 4.041 222 2HG2 ILE 27 2HG2 ILE 27 -4.197 -12.762 5.728 223 3HG2 ILE 27 3HG2 ILE 27 -4.779 -11.724 4.410 224 1HD1 ILE 27 1HD1 ILE 27 -4.777 -9.560 4.955 225 2HD1 ILE 27 2HD1 ILE 27 -3.868 -8.355 5.872 226 3HD1 ILE 27 3HD1 ILE 27 -3.316 -8.827 4.253 227 H LEU 28 H LEU 28 -0.427 -12.929 3.055 228 HA LEU 28 HA LEU 28 -1.416 -15.615 2.809 229 1HB LEU 28 1HB LEU 28 -0.661 -14.013 0.999 230 2HB LEU 28 2HB LEU 28 0.996 -14.447 1.417 231 HG LEU 28 HG LEU 28 0.056 -15.628 -0.479 232 1HD1 LEU 28 1HD1 LEU 28 0.492 -17.765 1.595 233 2HD1 LEU 28 2HD1 LEU 28 0.953 -17.745 -0.098 234 3HD1 LEU 28 3HD1 LEU 28 1.803 -16.690 1.067 235 1HD2 LEU 28 1HD2 LEU 28 -1.763 -17.192 1.410 236 2HD2 LEU 28 2HD2 LEU 28 -2.342 -15.854 0.408 237 3HD2 LEU 28 3HD2 LEU 28 -1.683 -17.333 -0.336 238 H LEU 29 H LEU 29 1.756 -14.404 3.819 239 HA LEU 29 HA LEU 29 2.985 -16.853 4.437 240 1HB LEU 29 1HB LEU 29 4.077 -14.665 4.502 241 2HB LEU 29 2HB LEU 29 3.221 -14.226 5.972 242 HG LEU 29 HG LEU 29 4.994 -16.695 5.885 243 1HD1 LEU 29 1HD1 LEU 29 6.343 -14.812 5.053 244 2HD1 LEU 29 2HD1 LEU 29 5.866 -13.827 6.458 245 3HD1 LEU 29 3HD1 LEU 29 6.862 -15.284 6.672 246 1HD2 LEU 29 1HD2 LEU 29 3.669 -16.500 7.952 247 2HD2 LEU 29 2HD2 LEU 29 5.337 -16.106 8.313 248 3HD2 LEU 29 3HD2 LEU 29 4.146 -14.799 8.141 249 H LEU 30 H LEU 30 0.852 -14.915 6.585 250 HA LEU 30 HA LEU 30 0.733 -16.780 8.723 251 1HB LEU 30 1HB LEU 30 0.006 -14.411 8.817 252 2HB LEU 30 2HB LEU 30 -1.349 -14.797 7.774 253 HG LEU 30 HG LEU 30 -2.294 -16.318 9.491 254 1HD1 LEU 30 1HD1 LEU 30 -0.281 -17.005 10.711 255 2HD1 LEU 30 2HD1 LEU 30 0.030 -15.326 11.215 256 3HD1 LEU 30 3HD1 LEU 30 -1.392 -16.209 11.819 257 1HD2 LEU 30 1HD2 LEU 30 -2.983 -13.961 9.366 258 2HD2 LEU 30 2HD2 LEU 30 -3.011 -14.550 11.034 259 3HD2 LEU 30 3HD2 LEU 30 -1.678 -13.506 10.490 260 H LEU 31 H LEU 31 -1.295 -16.442 5.839 261 HA LEU 31 HA LEU 31 -3.105 -18.590 6.355 262 1HB LEU 31 1HB LEU 31 -3.393 -16.702 4.747 263 2HB LEU 31 2HB LEU 31 -2.307 -17.535 3.644 264 HG LEU 31 HG LEU 31 -4.490 -19.282 4.646 265 1HD1 LEU 31 1HD1 LEU 31 -5.739 -17.178 4.672 266 2HD1 LEU 31 2HD1 LEU 31 -5.239 -16.834 2.998 267 3HD1 LEU 31 3HD1 LEU 31 -6.290 -18.225 3.358 268 1HD2 LEU 31 1HD2 LEU 31 -4.737 -19.845 2.292 269 2HD2 LEU 31 2HD2 LEU 31 -3.746 -18.455 1.797 270 3HD2 LEU 31 3HD2 LEU 31 -3.015 -19.817 2.674 271 1HN NH2 32 1HN NH2 32 0.274 -18.770 5.580 272 2HN NH2 32 2HN NH2 32 0.260 -20.471 5.161 Start of MODEL 14 1 1H SER 1 1H SER 1 -17.800 0.943 2.845 2 2H SER 1 2H SER 1 -16.561 1.335 1.837 3 3H SER 1 3H SER 1 -16.295 0.221 3.022 4 HA SER 1 HA SER 1 -16.438 1.866 4.682 5 1HB SER 1 1HB SER 1 -14.676 3.524 3.616 6 2HB SER 1 2HB SER 1 -14.261 1.819 3.824 7 HG SER 1 HG SER 1 -13.963 3.069 1.722 8 HA PRO 2 HA PRO 2 -18.733 5.759 3.457 9 1HB PRO 2 1HB PRO 2 -17.079 7.753 4.408 10 2HB PRO 2 2HB PRO 2 -18.169 6.819 5.474 11 1HG PRO 2 1HG PRO 2 -15.222 6.334 4.909 12 2HG PRO 2 2HG PRO 2 -16.027 6.473 6.507 13 1HD PRO 2 1HD PRO 2 -15.532 4.059 5.420 14 2HD PRO 2 2HD PRO 2 -17.068 4.360 6.264 15 HA PRO 3 HA PRO 3 -16.234 6.703 -0.200 16 1HB PRO 3 1HB PRO 3 -16.634 9.343 -0.800 17 2HB PRO 3 2HB PRO 3 -17.910 8.103 -0.953 18 1HG PRO 3 1HG PRO 3 -17.445 9.989 1.382 19 2HG PRO 3 2HG PRO 3 -18.976 9.678 0.500 20 1HD PRO 3 1HD PRO 3 -18.413 8.409 2.823 21 2HD PRO 3 2HD PRO 3 -19.216 7.539 1.488 22 H ASP 4 H ASP 4 -14.426 6.172 1.363 23 HA ASP 4 HA ASP 4 -12.865 8.320 2.477 24 1HB ASP 4 1HB ASP 4 -11.429 6.689 3.332 25 2HB ASP 4 2HB ASP 4 -13.066 6.109 3.555 26 H TYR 5 H TYR 5 -12.017 9.657 1.116 27 HA TYR 5 HA TYR 5 -11.139 9.079 -1.542 28 1HB TYR 5 1HB TYR 5 -10.484 11.494 -1.491 29 2HB TYR 5 2HB TYR 5 -12.143 11.168 -1.048 30 HD1 TYR 5 HD1 TYR 5 -12.987 11.541 1.237 31 HD2 TYR 5 HD2 TYR 5 -8.867 12.330 0.209 32 HE1 TYR 5 HE1 TYR 5 -12.689 12.779 3.362 33 HE2 TYR 5 HE2 TYR 5 -8.571 13.580 2.316 34 HH TYR 5 HH TYR 5 -9.607 14.343 4.274 35 H SER 6 H SER 6 -9.754 7.426 0.314 36 HA SER 6 HA SER 6 -7.223 8.200 1.160 37 1HB SER 6 1HB SER 6 -8.358 5.458 0.488 38 2HB SER 6 2HB SER 6 -6.981 5.786 1.565 39 HG SER 6 HG SER 6 -9.511 5.690 2.205 40 H ALA 7 H ALA 7 -7.630 8.684 -1.828 41 HA ALA 7 HA ALA 7 -5.635 7.020 -3.198 42 1HB ALA 7 1HB ALA 7 -7.108 9.555 -4.048 43 2HB ALA 7 2HB ALA 7 -6.058 8.563 -5.088 44 3HB ALA 7 3HB ALA 7 -7.572 7.888 -4.452 45 H ALA 8 H ALA 8 -4.200 7.496 -1.346 46 HA ALA 8 HA ALA 8 -3.104 9.919 -0.630 47 1HB ALA 8 1HB ALA 8 -1.936 7.102 -0.613 48 2HB ALA 8 2HB ALA 8 -1.276 8.443 0.330 49 3HB ALA 8 3HB ALA 8 -2.913 7.862 0.653 50 HA PRO 9 HA PRO 9 -0.475 11.400 -3.713 51 1HB PRO 9 1HB PRO 9 1.863 12.252 -2.464 52 2HB PRO 9 2HB PRO 9 0.283 13.086 -2.392 53 1HG PRO 9 1HG PRO 9 1.451 11.133 -0.391 54 2HG PRO 9 2HG PRO 9 0.684 12.724 -0.073 55 1HD PRO 9 1HD PRO 9 -0.709 10.452 0.216 56 2HD PRO 9 2HD PRO 9 -1.484 11.864 -0.551 57 H ARG 10 H ARG 10 1.397 11.168 -5.080 58 HA ARG 10 HA ARG 10 3.194 8.941 -4.756 59 1HB ARG 10 1HB ARG 10 2.444 7.808 -6.850 60 2HB ARG 10 2HB ARG 10 1.314 7.628 -5.528 61 1HG ARG 10 1HG ARG 10 0.860 9.803 -7.605 62 2HG ARG 10 2HG ARG 10 0.468 8.122 -7.971 63 1HD ARG 10 1HD ARG 10 -1.084 7.975 -6.112 64 2HD ARG 10 2HD ARG 10 -0.627 9.583 -5.549 65 HE ARG 10 HE ARG 10 -1.624 9.629 -8.256 66 1HH1 ARG 10 1HH1 ARG 10 -2.573 9.535 -4.836 67 2HH1 ARG 10 2HH1 ARG 10 -4.042 10.354 -4.993 68 1HH2 ARG 10 1HH2 ARG 10 -3.697 10.740 -8.582 69 2HH2 ARG 10 2HH2 ARG 10 -4.709 11.040 -7.221 70 H GLY 11 H GLY 11 4.741 8.959 -6.632 71 1HA GLY 11 1HA GLY 11 6.019 9.911 -8.229 72 2HA GLY 11 2HA GLY 11 4.605 10.833 -8.759 73 H ARG 12 H ARG 12 5.083 11.669 -5.615 74 HA ARG 12 HA ARG 12 7.342 13.430 -5.645 75 1HB ARG 12 1HB ARG 12 4.486 14.547 -5.476 76 2HB ARG 12 2HB ARG 12 5.913 15.394 -4.902 77 1HG ARG 12 1HG ARG 12 5.314 14.671 -7.800 78 2HG ARG 12 2HG ARG 12 5.169 16.257 -7.050 79 1HD ARG 12 1HD ARG 12 7.611 16.265 -6.564 80 2HD ARG 12 2HD ARG 12 7.784 14.715 -7.388 81 HE ARG 12 HE ARG 12 7.392 17.361 -8.546 82 1HH1 ARG 12 1HH1 ARG 12 7.231 13.862 -9.237 83 2HH1 ARG 12 2HH1 ARG 12 7.562 14.035 -10.919 84 1HH2 ARG 12 1HH2 ARG 12 7.780 17.596 -10.809 85 2HH2 ARG 12 2HH2 ARG 12 7.840 16.224 -11.841 86 H PHE 13 H PHE 13 8.017 12.411 -3.919 87 HA PHE 13 HA PHE 13 7.970 11.071 -1.981 88 1HB PHE 13 1HB PHE 13 7.502 13.954 -1.195 89 2HB PHE 13 2HB PHE 13 8.313 12.730 -0.221 90 HD1 PHE 13 HD1 PHE 13 8.781 15.357 -2.597 91 HD2 PHE 13 HD2 PHE 13 10.438 11.580 -1.314 92 HE1 PHE 13 HE1 PHE 13 10.936 15.920 -3.694 93 HE2 PHE 13 HE2 PHE 13 12.581 12.154 -2.421 94 HZ PHE 13 HZ PHE 13 12.833 14.318 -3.611 95 H GLY 14 H GLY 14 5.969 9.732 -2.165 96 1HA GLY 14 1HA GLY 14 4.054 10.407 -0.075 97 2HA GLY 14 2HA GLY 14 3.413 10.347 -1.729 98 H ILE 15 H ILE 15 2.497 8.632 0.173 99 HA ILE 15 HA ILE 15 3.658 5.918 -0.348 100 HB ILE 15 HB ILE 15 2.362 7.125 2.114 101 1HG1 ILE 15 1HG1 ILE 15 5.195 6.096 1.658 102 2HG1 ILE 15 2HG1 ILE 15 4.713 7.772 1.885 103 1HG2 ILE 15 1HG2 ILE 15 1.591 4.791 1.742 104 2HG2 ILE 15 2HG2 ILE 15 3.269 4.249 1.709 105 3HG2 ILE 15 3HG2 ILE 15 2.571 4.943 3.184 106 1HD1 ILE 15 1HD1 ILE 15 5.645 7.016 3.941 107 2HD1 ILE 15 2HD1 ILE 15 3.897 7.197 4.191 108 3HD1 ILE 15 3HD1 ILE 15 4.617 5.580 3.980 109 HA PRO 16 HA PRO 16 -0.601 6.051 -2.015 110 1HB PRO 16 1HB PRO 16 -0.196 4.364 -4.152 111 2HB PRO 16 2HB PRO 16 0.178 6.108 -4.191 112 1HG PRO 16 1HG PRO 16 2.078 3.804 -3.668 113 2HG PRO 16 2HG PRO 16 2.302 5.191 -4.782 114 1HD PRO 16 1HD PRO 16 3.386 5.153 -2.284 115 2HD PRO 16 2HD PRO 16 2.773 6.664 -2.980 116 H PHE 17 H PHE 17 -1.670 3.601 -2.752 117 HA PHE 17 HA PHE 17 -1.805 2.074 -0.375 118 1HB PHE 17 1HB PHE 17 -3.178 0.553 -1.835 119 2HB PHE 17 2HB PHE 17 -3.660 2.232 -1.872 120 HD1 PHE 17 HD1 PHE 17 -3.755 3.455 -3.923 121 HD2 PHE 17 HD2 PHE 17 -1.770 -0.382 -3.811 122 HE1 PHE 17 HE1 PHE 17 -3.514 3.495 -6.390 123 HE2 PHE 17 HE2 PHE 17 -1.535 -0.326 -6.272 124 HZ PHE 17 HZ PHE 17 -2.397 1.612 -7.567 125 H PHE 18 H PHE 18 1.024 2.165 -1.602 126 HA PHE 18 HA PHE 18 1.634 -0.277 -2.879 127 1HB PHE 18 1HB PHE 18 3.886 0.240 -2.703 128 2HB PHE 18 2HB PHE 18 3.106 1.799 -2.718 129 HD1 PHE 18 HD1 PHE 18 4.728 -0.705 -0.485 130 HD2 PHE 18 HD2 PHE 18 3.679 3.428 -1.099 131 HE1 PHE 18 HE1 PHE 18 6.243 -0.050 1.357 132 HE2 PHE 18 HE2 PHE 18 5.307 4.081 0.656 133 HZ PHE 18 HZ PHE 18 6.546 2.351 1.922 134 HA PRO 19 HA PRO 19 2.784 -2.150 1.337 135 1HB PRO 19 1HB PRO 19 1.453 -1.500 3.645 136 2HB PRO 19 2HB PRO 19 2.951 -0.698 3.081 137 1HG PRO 19 1HG PRO 19 0.087 0.213 2.671 138 2HG PRO 19 2HG PRO 19 1.479 1.172 3.276 139 1HD PRO 19 1HD PRO 19 0.723 1.296 0.726 140 2HD PRO 19 2HD PRO 19 2.456 1.275 1.137 141 H VAL 20 H VAL 20 -0.371 -1.699 0.015 142 HA VAL 20 HA VAL 20 -1.859 -3.739 1.342 143 HB VAL 20 HB VAL 20 -1.809 -2.544 -1.460 144 1HG1 VAL 20 1HG1 VAL 20 -3.635 -4.778 -0.584 145 2HG1 VAL 20 2HG1 VAL 20 -3.915 -3.702 -1.991 146 3HG1 VAL 20 3HG1 VAL 20 -2.511 -4.746 -1.961 147 1HG2 VAL 20 1HG2 VAL 20 -3.904 -2.467 0.764 148 2HG2 VAL 20 2HG2 VAL 20 -2.740 -1.172 0.404 149 3HG2 VAL 20 3HG2 VAL 20 -3.979 -1.596 -0.781 150 H HIS 21 H HIS 21 0.139 -3.889 -1.611 151 HA HIS 21 HA HIS 21 -0.163 -6.652 -2.088 152 1HB HIS 21 1HB HIS 21 1.761 -4.457 -2.780 153 2HB HIS 21 2HB HIS 21 2.100 -6.094 -3.362 154 HD1 HIS 21 HD1 HIS 21 -1.547 -5.823 -3.767 155 HD2 HIS 21 HD2 HIS 21 1.866 -4.093 -5.556 156 HE1 HIS 21 HE1 HIS 21 -2.286 -4.905 -6.014 157 H LEU 22 H LEU 22 2.209 -4.913 -0.142 158 HA LEU 22 HA LEU 22 3.833 -7.252 0.446 159 1HB LEU 22 1HB LEU 22 3.712 -4.463 1.681 160 2HB LEU 22 2HB LEU 22 4.843 -5.711 2.140 161 HG LEU 22 HG LEU 22 6.132 -4.433 0.751 162 1HD1 LEU 22 1HD1 LEU 22 6.184 -6.819 -0.013 163 2HD1 LEU 22 2HD1 LEU 22 5.016 -6.401 -1.294 164 3HD1 LEU 22 3HD1 LEU 22 6.619 -5.655 -1.275 165 1HD2 LEU 22 1HD2 LEU 22 3.910 -4.158 -1.313 166 2HD2 LEU 22 2HD2 LEU 22 4.353 -2.948 -0.089 167 3HD2 LEU 22 3HD2 LEU 22 5.509 -3.404 -1.341 168 H LYS 23 H LYS 23 1.360 -5.372 2.380 169 HA LYS 23 HA LYS 23 1.538 -7.203 4.581 170 1HB LYS 23 1HB LYS 23 0.537 -4.952 4.765 171 2HB LYS 23 2HB LYS 23 -0.812 -5.451 3.726 172 1HG LYS 23 1HG LYS 23 -1.546 -7.089 5.353 173 2HG LYS 23 2HG LYS 23 -0.110 -6.861 6.348 174 1HD LYS 23 1HD LYS 23 -2.171 -4.669 5.847 175 2HD LYS 23 2HD LYS 23 -2.271 -5.837 7.175 176 1HE LYS 23 1HE LYS 23 0.034 -5.114 7.919 177 2HE LYS 23 2HE LYS 23 -0.032 -3.819 6.715 178 1HZ LYS 23 1HZ LYS 23 -1.910 -4.171 8.981 179 2HZ LYS 23 2HZ LYS 23 -0.715 -3.054 8.898 180 3HZ LYS 23 3HZ LYS 23 -1.994 -2.960 7.871 181 H ARG 24 H ARG 24 -0.129 -7.388 1.479 182 HA ARG 24 HA ARG 24 -1.790 -9.640 2.118 183 1HB ARG 24 1HB ARG 24 -2.286 -8.374 0.195 184 2HB ARG 24 2HB ARG 24 -0.679 -8.493 -0.455 185 1HG ARG 24 1HG ARG 24 -2.659 -10.807 -0.268 186 2HG ARG 24 2HG ARG 24 -2.420 -9.778 -1.670 187 1HD ARG 24 1HD ARG 24 -0.645 -11.966 -0.640 188 2HD ARG 24 2HD ARG 24 -1.238 -11.657 -2.264 189 HE ARG 24 HE ARG 24 0.503 -9.531 -1.412 190 1HH1 ARG 24 1HH1 ARG 24 0.694 -12.901 -2.498 191 2HH1 ARG 24 2HH1 ARG 24 2.334 -12.794 -3.014 192 1HH2 ARG 24 1HH2 ARG 24 2.597 -9.356 -2.008 193 2HH2 ARG 24 2HH2 ARG 24 3.470 -10.646 -2.781 194 H LEU 25 H LEU 25 1.678 -9.409 1.327 195 HA LEU 25 HA LEU 25 2.025 -12.241 0.893 196 1HB LEU 25 1HB LEU 25 3.679 -10.377 0.264 197 2HB LEU 25 2HB LEU 25 4.057 -10.234 1.966 198 HG LEU 25 HG LEU 25 4.784 -12.622 2.033 199 1HD1 LEU 25 1HD1 LEU 25 3.560 -13.580 0.133 200 2HD1 LEU 25 2HD1 LEU 25 4.399 -12.480 -0.999 201 3HD1 LEU 25 3HD1 LEU 25 5.287 -13.751 -0.135 202 1HD2 LEU 25 1HD2 LEU 25 6.908 -12.225 0.856 203 2HD2 LEU 25 2HD2 LEU 25 6.187 -10.866 -0.035 204 3HD2 LEU 25 3HD2 LEU 25 6.394 -10.781 1.730 205 H LEU 26 H LEU 26 2.321 -10.041 3.642 206 HA LEU 26 HA LEU 26 3.048 -12.016 5.586 207 1HB LEU 26 1HB LEU 26 3.353 -9.619 5.989 208 2HB LEU 26 2HB LEU 26 1.606 -9.365 5.966 209 HG LEU 26 HG LEU 26 1.346 -10.752 8.005 210 1HD1 LEU 26 1HD1 LEU 26 4.403 -10.892 7.960 211 2HD1 LEU 26 2HD1 LEU 26 3.373 -11.353 9.333 212 3HD1 LEU 26 3HD1 LEU 26 3.276 -12.264 7.833 213 1HD2 LEU 26 1HD2 LEU 26 2.342 -9.140 9.556 214 2HD2 LEU 26 2HD2 LEU 26 3.396 -8.517 8.270 215 3HD2 LEU 26 3HD2 LEU 26 1.629 -8.315 8.161 216 H ILE 27 H ILE 27 -0.194 -10.779 4.654 217 HA ILE 27 HA ILE 27 -1.687 -12.338 6.504 218 HB ILE 27 HB ILE 27 -2.381 -11.152 3.793 219 1HG1 ILE 27 1HG1 ILE 27 -3.369 -10.359 6.572 220 2HG1 ILE 27 2HG1 ILE 27 -1.892 -9.695 5.901 221 1HG2 ILE 27 1HG2 ILE 27 -4.278 -12.523 5.756 222 2HG2 ILE 27 2HG2 ILE 27 -4.791 -11.569 4.349 223 3HG2 ILE 27 3HG2 ILE 27 -3.902 -13.064 4.113 224 1HD1 ILE 27 1HD1 ILE 27 -4.663 -9.373 4.679 225 2HD1 ILE 27 2HD1 ILE 27 -3.719 -8.146 5.528 226 3HD1 ILE 27 3HD1 ILE 27 -3.146 -8.771 3.969 227 H LEU 28 H LEU 28 -0.627 -13.113 3.123 228 HA LEU 28 HA LEU 28 -1.704 -15.768 3.111 229 1HB LEU 28 1HB LEU 28 -0.920 -14.361 1.178 230 2HB LEU 28 2HB LEU 28 0.731 -14.782 1.626 231 HG LEU 28 HG LEU 28 -0.225 -16.119 -0.165 232 1HD1 LEU 28 1HD1 LEU 28 0.653 -18.190 0.413 233 2HD1 LEU 28 2HD1 LEU 28 1.495 -17.050 1.504 234 3HD1 LEU 28 3HD1 LEU 28 0.163 -18.064 2.096 235 1HD2 LEU 28 1HD2 LEU 28 -2.080 -17.460 1.860 236 2HD2 LEU 28 2HD2 LEU 28 -2.624 -16.244 0.702 237 3HD2 LEU 28 3HD2 LEU 28 -1.969 -17.802 0.141 238 H LEU 29 H LEU 29 1.571 -14.651 4.010 239 HA LEU 29 HA LEU 29 2.571 -17.175 4.744 240 1HB LEU 29 1HB LEU 29 3.909 -15.146 4.537 241 2HB LEU 29 2HB LEU 29 3.171 -14.440 5.968 242 HG LEU 29 HG LEU 29 4.543 -17.116 6.271 243 1HD1 LEU 29 1HD1 LEU 29 6.128 -15.844 4.898 244 2HD1 LEU 29 2HD1 LEU 29 6.031 -14.467 6.022 245 3HD1 LEU 29 3HD1 LEU 29 6.731 -16.015 6.549 246 1HD2 LEU 29 1HD2 LEU 29 5.216 -16.156 8.453 247 2HD2 LEU 29 2HD2 LEU 29 4.472 -14.600 8.024 248 3HD2 LEU 29 3HD2 LEU 29 3.472 -16.046 8.264 249 H LEU 30 H LEU 30 0.460 -15.049 6.662 250 HA LEU 30 HA LEU 30 0.490 -16.772 9.001 251 1HB LEU 30 1HB LEU 30 0.042 -14.348 9.010 252 2HB LEU 30 2HB LEU 30 -1.474 -14.616 8.169 253 HG LEU 30 HG LEU 30 -0.954 -16.061 10.781 254 1HD1 LEU 30 1HD1 LEU 30 -1.906 -13.174 10.536 255 2HD1 LEU 30 2HD1 LEU 30 -1.872 -14.141 12.030 256 3HD1 LEU 30 3HD1 LEU 30 -0.357 -13.718 11.227 257 1HD2 LEU 30 1HD2 LEU 30 -3.421 -15.701 11.086 258 2HD2 LEU 30 2HD2 LEU 30 -3.488 -14.939 9.480 259 3HD2 LEU 30 3HD2 LEU 30 -3.054 -16.652 9.661 260 H LEU 31 H LEU 31 -1.770 -16.282 6.262 261 HA LEU 31 HA LEU 31 -3.097 -18.832 6.854 262 1HB LEU 31 1HB LEU 31 -4.425 -16.900 7.712 263 2HB LEU 31 2HB LEU 31 -4.403 -16.197 6.095 264 HG LEU 31 HG LEU 31 -5.672 -18.195 5.247 265 1HD1 LEU 31 1HD1 LEU 31 -5.813 -18.947 8.203 266 2HD1 LEU 31 2HD1 LEU 31 -6.801 -19.668 6.915 267 3HD1 LEU 31 3HD1 LEU 31 -5.053 -19.898 6.910 268 1HD2 LEU 31 1HD2 LEU 31 -7.822 -17.547 6.254 269 2HD2 LEU 31 2HD2 LEU 31 -6.969 -16.716 7.574 270 3HD2 LEU 31 3HD2 LEU 31 -6.830 -16.123 5.903 271 1HN NH2 32 1HN NH2 32 -1.487 -19.553 5.306 272 2HN NH2 32 2HN NH2 32 -1.888 -19.420 3.608 Start of MODEL 15 1 1H SER 1 1H SER 1 -9.490 26.181 11.189 2 2H SER 1 2H SER 1 -10.628 26.358 9.974 3 3H SER 1 3H SER 1 -10.151 24.862 10.451 4 HA SER 1 HA SER 1 -8.336 26.773 9.201 5 1HB SER 1 1HB SER 1 -7.014 24.563 8.939 6 2HB SER 1 2HB SER 1 -7.169 25.192 10.584 7 HG SER 1 HG SER 1 -8.255 22.929 9.418 8 HA PRO 2 HA PRO 2 -9.972 24.592 5.385 9 1HB PRO 2 1HB PRO 2 -7.658 23.827 4.108 10 2HB PRO 2 2HB PRO 2 -8.300 25.497 4.021 11 1HG PRO 2 1HG PRO 2 -6.164 24.403 5.884 12 2HG PRO 2 2HG PRO 2 -6.083 25.873 4.857 13 1HD PRO 2 1HD PRO 2 -6.739 26.034 7.478 14 2HD PRO 2 2HD PRO 2 -7.562 27.055 6.274 15 HA PRO 3 HA PRO 3 -9.460 20.419 6.998 16 1HB PRO 3 1HB PRO 3 -9.646 18.769 4.819 17 2HB PRO 3 2HB PRO 3 -11.043 19.695 5.449 18 1HG PRO 3 1HG PRO 3 -9.186 20.444 3.167 19 2HG PRO 3 2HG PRO 3 -10.981 20.444 3.175 20 1HD PRO 3 1HD PRO 3 -9.548 22.711 3.607 21 2HD PRO 3 2HD PRO 3 -11.062 22.400 4.506 22 H ASP 4 H ASP 4 -8.021 18.335 6.677 23 HA ASP 4 HA ASP 4 -5.271 19.135 6.437 24 1HB ASP 4 1HB ASP 4 -4.830 16.869 7.165 25 2HB ASP 4 2HB ASP 4 -5.976 17.650 8.249 26 H TYR 5 H TYR 5 -4.349 19.124 4.626 27 HA TYR 5 HA TYR 5 -5.457 18.127 2.149 28 1HB TYR 5 1HB TYR 5 -3.288 19.104 1.211 29 2HB TYR 5 2HB TYR 5 -4.399 20.185 2.016 30 HD1 TYR 5 HD1 TYR 5 -1.159 18.386 2.434 31 HD2 TYR 5 HD2 TYR 5 -3.821 21.397 4.009 32 HE1 TYR 5 HE1 TYR 5 0.622 19.148 3.967 33 HE2 TYR 5 HE2 TYR 5 -2.038 22.167 5.551 34 HH TYR 5 HH TYR 5 1.182 20.626 5.689 35 H SER 6 H SER 6 -5.008 15.970 3.983 36 HA SER 6 HA SER 6 -2.658 14.470 3.502 37 1HB SER 6 1HB SER 6 -5.418 13.625 4.464 38 2HB SER 6 2HB SER 6 -3.908 12.720 4.692 39 HG SER 6 HG SER 6 -4.935 14.613 6.202 40 H ALA 7 H ALA 7 -4.153 15.253 0.967 41 HA ALA 7 HA ALA 7 -5.188 12.843 -0.281 42 1HB ALA 7 1HB ALA 7 -4.197 15.477 -1.458 43 2HB ALA 7 2HB ALA 7 -5.020 14.187 -2.363 44 3HB ALA 7 3HB ALA 7 -5.882 15.053 -1.073 45 H ALA 8 H ALA 8 -3.663 11.341 0.199 46 HA ALA 8 HA ALA 8 -1.105 11.123 0.261 47 1HB ALA 8 1HB ALA 8 -1.255 8.777 -0.483 48 2HB ALA 8 2HB ALA 8 -2.563 9.249 0.613 49 3HB ALA 8 3HB ALA 8 -2.874 9.096 -1.135 50 HA PRO 9 HA PRO 9 0.212 12.465 -3.876 51 1HB PRO 9 1HB PRO 9 2.850 13.035 -3.291 52 2HB PRO 9 2HB PRO 9 1.478 14.126 -2.933 53 1HG PRO 9 1HG PRO 9 2.880 12.219 -1.061 54 2HG PRO 9 2HG PRO 9 2.377 13.904 -0.757 55 1HD PRO 9 1HD PRO 9 0.925 11.727 0.056 56 2HD PRO 9 2HD PRO 9 0.143 13.263 -0.415 57 H ARG 10 H ARG 10 2.107 11.703 -5.373 58 HA ARG 10 HA ARG 10 3.150 9.062 -4.855 59 1HB ARG 10 1HB ARG 10 1.856 7.957 -6.667 60 2HB ARG 10 2HB ARG 10 0.850 8.455 -5.318 61 1HG ARG 10 1HG ARG 10 0.486 10.650 -6.906 62 2HG ARG 10 2HG ARG 10 0.934 9.485 -8.142 63 1HD ARG 10 1HD ARG 10 -1.421 9.467 -8.016 64 2HD ARG 10 2HD ARG 10 -0.909 7.967 -7.223 65 HE ARG 10 HE ARG 10 -1.122 9.714 -5.112 66 1HH1 ARG 10 1HH1 ARG 10 -3.410 8.901 -7.710 67 2HH1 ARG 10 2HH1 ARG 10 -4.810 9.275 -6.775 68 1HH2 ARG 10 1HH2 ARG 10 -2.925 10.225 -3.904 69 2HH2 ARG 10 2HH2 ARG 10 -4.536 10.045 -4.510 70 H GLY 11 H GLY 11 4.650 8.479 -6.553 71 1HA GLY 11 1HA GLY 11 6.215 8.842 -8.134 72 2HA GLY 11 2HA GLY 11 5.092 9.937 -8.950 73 H ARG 12 H ARG 12 5.553 11.162 -5.901 74 HA ARG 12 HA ARG 12 8.111 12.425 -6.070 75 1HB ARG 12 1HB ARG 12 5.530 14.078 -6.258 76 2HB ARG 12 2HB ARG 12 7.074 14.712 -5.680 77 1HG ARG 12 1HG ARG 12 8.102 14.121 -7.914 78 2HG ARG 12 2HG ARG 12 6.497 13.624 -8.466 79 1HD ARG 12 1HD ARG 12 6.869 15.814 -9.292 80 2HD ARG 12 2HD ARG 12 5.645 15.929 -8.015 81 HE ARG 12 HE ARG 12 8.168 16.364 -6.839 82 1HH1 ARG 12 1HH1 ARG 12 6.091 17.974 -9.209 83 2HH1 ARG 12 2HH1 ARG 12 6.681 19.564 -8.907 84 1HH2 ARG 12 1HH2 ARG 12 8.989 18.504 -6.398 85 2HH2 ARG 12 2HH2 ARG 12 8.379 19.861 -7.254 86 H PHE 13 H PHE 13 8.529 11.615 -4.169 87 HA PHE 13 HA PHE 13 8.269 10.650 -2.054 88 1HB PHE 13 1HB PHE 13 7.993 13.645 -1.779 89 2HB PHE 13 2HB PHE 13 8.499 12.557 -0.483 90 HD1 PHE 13 HD1 PHE 13 9.625 14.595 -3.212 91 HD2 PHE 13 HD2 PHE 13 10.603 11.057 -0.939 92 HE1 PHE 13 HE1 PHE 13 11.978 14.717 -4.013 93 HE2 PHE 13 HE2 PHE 13 12.942 11.190 -1.748 94 HZ PHE 13 HZ PHE 13 13.629 13.013 -3.287 95 H GLY 14 H GLY 14 6.220 9.429 -2.271 96 1HA GLY 14 1HA GLY 14 4.188 10.417 -0.460 97 2HA GLY 14 2HA GLY 14 3.696 10.308 -2.161 98 H ILE 15 H ILE 15 2.353 8.791 -0.409 99 HA ILE 15 HA ILE 15 3.400 5.983 -0.561 100 HB ILE 15 HB ILE 15 1.906 7.411 1.656 101 1HG1 ILE 15 1HG1 ILE 15 4.734 6.268 1.614 102 2HG1 ILE 15 2HG1 ILE 15 4.308 7.974 1.616 103 1HG2 ILE 15 1HG2 ILE 15 2.757 4.489 1.519 104 2HG2 ILE 15 2HG2 ILE 15 1.974 5.293 2.893 105 3HG2 ILE 15 3HG2 ILE 15 1.101 5.085 1.393 106 1HD1 ILE 15 1HD1 ILE 15 3.868 6.023 3.892 107 2HD1 ILE 15 2HD1 ILE 15 4.952 7.419 3.829 108 3HD1 ILE 15 3HD1 ILE 15 3.196 7.675 3.843 109 HA PRO 16 HA PRO 16 -0.675 6.040 -2.615 110 1HB PRO 16 1HB PRO 16 -0.091 4.217 -4.600 111 2HB PRO 16 2HB PRO 16 0.309 5.953 -4.730 112 1HG PRO 16 1HG PRO 16 2.125 3.682 -3.881 113 2HG PRO 16 2HG PRO 16 2.463 4.988 -5.061 114 1HD PRO 16 1HD PRO 16 3.323 5.118 -2.479 115 2HD PRO 16 2HD PRO 16 2.784 6.582 -3.327 116 H PHE 17 H PHE 17 -1.702 3.519 -3.247 117 HA PHE 17 HA PHE 17 -1.975 2.206 -0.742 118 1HB PHE 17 1HB PHE 17 -3.314 0.589 -2.107 119 2HB PHE 17 2HB PHE 17 -3.763 2.263 -2.335 120 HD1 PHE 17 HD1 PHE 17 -1.896 -0.594 -3.920 121 HD2 PHE 17 HD2 PHE 17 -3.695 3.296 -4.504 122 HE1 PHE 17 HE1 PHE 17 -1.554 -0.795 -6.348 123 HE2 PHE 17 HE2 PHE 17 -3.349 3.072 -6.950 124 HZ PHE 17 HZ PHE 17 -2.270 1.034 -7.876 125 H PHE 18 H PHE 18 0.892 2.178 -1.869 126 HA PHE 18 HA PHE 18 1.564 -0.312 -2.953 127 1HB PHE 18 1HB PHE 18 3.802 0.220 -2.667 128 2HB PHE 18 2HB PHE 18 3.016 1.770 -2.801 129 HD1 PHE 18 HD1 PHE 18 4.603 -0.597 -0.424 130 HD2 PHE 18 HD2 PHE 18 3.354 3.463 -1.150 131 HE1 PHE 18 HE1 PHE 18 5.970 0.163 1.492 132 HE2 PHE 18 HE2 PHE 18 4.843 4.226 0.687 133 HZ PHE 18 HZ PHE 18 6.102 2.583 2.042 134 HA PRO 19 HA PRO 19 2.581 -2.010 1.377 135 1HB PRO 19 1HB PRO 19 1.124 -1.322 3.598 136 2HB PRO 19 2HB PRO 19 2.622 -0.493 3.074 137 1HG PRO 19 1HG PRO 19 -0.247 0.310 2.491 138 2HG PRO 19 2HG PRO 19 1.081 1.333 3.138 139 1HD PRO 19 1HD PRO 19 0.478 1.368 0.545 140 2HD PRO 19 2HD PRO 19 2.183 1.376 1.057 141 H VAL 20 H VAL 20 -0.572 -1.648 0.000 142 HA VAL 20 HA VAL 20 -2.066 -3.671 1.298 143 HB VAL 20 HB VAL 20 -1.877 -2.541 -1.533 144 1HG1 VAL 20 1HG1 VAL 20 -2.557 -4.715 -2.085 145 2HG1 VAL 20 2HG1 VAL 20 -3.704 -4.799 -0.729 146 3HG1 VAL 20 3HG1 VAL 20 -3.978 -3.710 -2.134 147 1HG2 VAL 20 1HG2 VAL 20 -4.097 -2.433 0.562 148 2HG2 VAL 20 2HG2 VAL 20 -2.912 -1.144 0.258 149 3HG2 VAL 20 3HG2 VAL 20 -4.076 -1.582 -0.996 150 H HIS 21 H HIS 21 -0.091 -3.972 -1.614 151 HA HIS 21 HA HIS 21 -0.394 -6.710 -2.014 152 1HB HIS 21 1HB HIS 21 1.765 -4.711 -2.609 153 2HB HIS 21 2HB HIS 21 1.707 -6.279 -3.428 154 HD1 HIS 21 HD1 HIS 21 -0.872 -6.379 -4.977 155 HD2 HIS 21 HD2 HIS 21 0.707 -2.720 -3.585 156 HE1 HIS 21 HE1 HIS 21 -2.119 -4.532 -6.205 157 H LEU 22 H LEU 22 2.123 -4.968 -0.277 158 HA LEU 22 HA LEU 22 3.686 -7.236 0.516 159 1HB LEU 22 1HB LEU 22 3.487 -4.425 1.693 160 2HB LEU 22 2HB LEU 22 4.659 -5.631 2.155 161 HG LEU 22 HG LEU 22 5.930 -4.389 0.745 162 1HD1 LEU 22 1HD1 LEU 22 5.931 -6.741 -0.112 163 2HD1 LEU 22 2HD1 LEU 22 4.713 -6.272 -1.325 164 3HD1 LEU 22 3HD1 LEU 22 6.321 -5.536 -1.352 165 1HD2 LEU 22 1HD2 LEU 22 4.146 -2.854 0.016 166 2HD2 LEU 22 2HD2 LEU 22 5.252 -3.279 -1.291 167 3HD2 LEU 22 3HD2 LEU 22 3.647 -4.018 -1.231 168 H LYS 23 H LYS 23 1.148 -5.328 2.363 169 HA LYS 23 HA LYS 23 1.421 -7.088 4.623 170 1HB LYS 23 1HB LYS 23 0.374 -4.791 4.682 171 2HB LYS 23 2HB LYS 23 -1.049 -5.464 3.861 172 1HG LYS 23 1HG LYS 23 -1.383 -7.048 5.739 173 2HG LYS 23 2HG LYS 23 0.109 -6.487 6.505 174 1HD LYS 23 1HD LYS 23 -0.902 -4.245 6.823 175 2HD LYS 23 2HD LYS 23 -2.407 -4.825 6.064 176 1HE LYS 23 1HE LYS 23 -2.606 -6.586 7.813 177 2HE LYS 23 2HE LYS 23 -1.103 -6.031 8.556 178 1HZ LYS 23 1HZ LYS 23 -2.188 -3.927 9.048 179 2HZ LYS 23 2HZ LYS 23 -3.593 -4.444 8.358 180 3HZ LYS 23 3HZ LYS 23 -3.020 -5.174 9.709 181 H ARG 24 H ARG 24 -0.343 -7.322 1.577 182 HA ARG 24 HA ARG 24 -1.956 -9.574 2.349 183 1HB ARG 24 1HB ARG 24 -2.615 -8.249 0.487 184 2HB ARG 24 2HB ARG 24 -1.089 -8.453 -0.331 185 1HG ARG 24 1HG ARG 24 -2.432 -11.056 0.144 186 2HG ARG 24 2HG ARG 24 -3.446 -9.917 -0.715 187 1HD ARG 24 1HD ARG 24 -2.179 -11.257 -2.308 188 2HD ARG 24 2HD ARG 24 -1.765 -9.555 -2.427 189 HE ARG 24 HE ARG 24 0.358 -9.926 -1.541 190 1HH1 ARG 24 1HH1 ARG 24 -1.423 -12.991 -1.463 191 2HH1 ARG 24 2HH1 ARG 24 -0.039 -13.999 -1.629 192 1HH2 ARG 24 1HH2 ARG 24 2.228 -11.248 -1.833 193 2HH2 ARG 24 2HH2 ARG 24 2.109 -12.968 -1.814 194 H LEU 25 H LEU 25 1.424 -9.267 1.298 195 HA LEU 25 HA LEU 25 1.825 -12.102 0.862 196 1HB LEU 25 1HB LEU 25 3.317 -10.132 0.127 197 2HB LEU 25 2HB LEU 25 3.934 -10.091 1.770 198 HG LEU 25 HG LEU 25 4.013 -12.610 0.061 199 1HD1 LEU 25 1HD1 LEU 25 5.202 -10.794 -1.119 200 2HD1 LEU 25 2HD1 LEU 25 6.152 -10.456 0.346 201 3HD1 LEU 25 3HD1 LEU 25 6.335 -12.002 -0.504 202 1HD2 LEU 25 1HD2 LEU 25 4.447 -13.114 2.418 203 2HD2 LEU 25 2HD2 LEU 25 5.969 -13.171 1.553 204 3HD2 LEU 25 3HD2 LEU 25 5.584 -11.752 2.544 205 H LEU 26 H LEU 26 2.311 -9.875 3.616 206 HA LEU 26 HA LEU 26 3.153 -11.869 5.457 207 1HB LEU 26 1HB LEU 26 3.464 -9.465 5.837 208 2HB LEU 26 2HB LEU 26 1.718 -9.237 5.974 209 HG LEU 26 HG LEU 26 1.668 -10.633 8.022 210 1HD1 LEU 26 1HD1 LEU 26 3.580 -12.135 7.663 211 2HD1 LEU 26 2HD1 LEU 26 4.707 -10.758 7.682 212 3HD1 LEU 26 3HD1 LEU 26 3.820 -11.226 9.148 213 1HD2 LEU 26 1HD2 LEU 26 2.798 -9.026 9.486 214 2HD2 LEU 26 2HD2 LEU 26 3.727 -8.392 8.112 215 3HD2 LEU 26 3HD2 LEU 26 1.958 -8.192 8.169 216 H ILE 27 H ILE 27 -0.166 -10.668 4.782 217 HA ILE 27 HA ILE 27 -1.487 -12.270 6.732 218 HB ILE 27 HB ILE 27 -2.389 -11.018 4.115 219 1HG1 ILE 27 1HG1 ILE 27 -3.177 -10.323 6.983 220 2HG1 ILE 27 2HG1 ILE 27 -1.758 -9.626 6.227 221 1HG2 ILE 27 1HG2 ILE 27 -3.876 -12.948 4.476 222 2HG2 ILE 27 2HG2 ILE 27 -4.146 -12.458 6.156 223 3HG2 ILE 27 3HG2 ILE 27 -4.751 -11.465 4.814 224 1HD1 ILE 27 1HD1 ILE 27 -3.597 -8.071 6.027 225 2HD1 ILE 27 2HD1 ILE 27 -3.172 -8.669 4.411 226 3HD1 ILE 27 3HD1 ILE 27 -4.620 -9.280 5.245 227 H LEU 28 H LEU 28 -0.605 -12.994 3.289 228 HA LEU 28 HA LEU 28 -1.758 -15.627 3.323 229 1HB LEU 28 1HB LEU 28 -1.092 -14.198 1.344 230 2HB LEU 28 2HB LEU 28 0.572 -14.690 1.647 231 HG LEU 28 HG LEU 28 -0.588 -15.947 -0.069 232 1HD1 LEU 28 1HD1 LEU 28 -0.081 -17.962 2.106 233 2HD1 LEU 28 2HD1 LEU 28 0.232 -18.077 0.384 234 3HD1 LEU 28 3HD1 LEU 28 1.233 -16.999 1.400 235 1HD2 LEU 28 1HD2 LEU 28 -2.310 -17.274 2.077 236 2HD2 LEU 28 2HD2 LEU 28 -2.907 -15.977 1.032 237 3HD2 LEU 28 3HD2 LEU 28 -2.391 -17.539 0.345 238 H LEU 29 H LEU 29 1.549 -14.534 3.968 239 HA LEU 29 HA LEU 29 2.701 -17.005 4.640 240 1HB LEU 29 1HB LEU 29 3.903 -14.880 4.458 241 2HB LEU 29 2HB LEU 29 3.217 -14.307 5.972 242 HG LEU 29 HG LEU 29 4.821 -16.888 5.891 243 1HD1 LEU 29 1HD1 LEU 29 5.944 -14.062 6.141 244 2HD1 LEU 29 2HD1 LEU 29 6.853 -15.573 6.371 245 3HD1 LEU 29 3HD1 LEU 29 6.199 -15.181 4.779 246 1HD2 LEU 29 1HD2 LEU 29 4.361 -14.774 8.063 247 2HD2 LEU 29 2HD2 LEU 29 3.727 -16.433 8.055 248 3HD2 LEU 29 3HD2 LEU 29 5.451 -16.168 8.216 249 H LEU 30 H LEU 30 0.876 -14.817 6.832 250 HA LEU 30 HA LEU 30 0.868 -16.541 9.092 251 1HB LEU 30 1HB LEU 30 0.278 -14.128 9.097 252 2HB LEU 30 2HB LEU 30 -1.192 -14.501 8.216 253 HG LEU 30 HG LEU 30 -2.029 -15.865 10.118 254 1HD1 LEU 30 1HD1 LEU 30 0.063 -16.577 11.179 255 2HD1 LEU 30 2HD1 LEU 30 0.501 -14.888 11.534 256 3HD1 LEU 30 3HD1 LEU 30 -0.891 -15.655 12.335 257 1HD2 LEU 30 1HD2 LEU 30 -2.506 -13.973 11.603 258 2HD2 LEU 30 2HD2 LEU 30 -1.192 -13.032 10.859 259 3HD2 LEU 30 3HD2 LEU 30 -2.625 -13.492 9.905 260 H LEU 31 H LEU 31 -1.397 -16.256 6.386 261 HA LEU 31 HA LEU 31 -3.266 -18.257 7.207 262 1HB LEU 31 1HB LEU 31 -3.595 -16.437 5.516 263 2HB LEU 31 2HB LEU 31 -2.688 -17.414 4.371 264 HG LEU 31 HG LEU 31 -4.849 -18.952 5.692 265 1HD1 LEU 31 1HD1 LEU 31 -5.648 -16.527 4.033 266 2HD1 LEU 31 2HD1 LEU 31 -6.728 -17.830 4.587 267 3HD1 LEU 31 3HD1 LEU 31 -5.954 -16.768 5.770 268 1HD2 LEU 31 1HD2 LEU 31 -4.397 -18.285 2.742 269 2HD2 LEU 31 2HD2 LEU 31 -3.658 -19.659 3.594 270 3HD2 LEU 31 3HD2 LEU 31 -5.411 -19.583 3.409 271 1HN NH2 32 1HN NH2 32 0.006 -18.686 6.156 272 2HN NH2 32 2HN NH2 32 -0.143 -20.401 5.827 Start of MODEL 16 1 1H SER 1 1H SER 1 -15.595 21.953 6.800 2 2H SER 1 2H SER 1 -17.084 21.277 6.438 3 3H SER 1 3H SER 1 -15.711 20.392 6.281 4 HA SER 1 HA SER 1 -16.256 22.757 4.664 5 1HB SER 1 1HB SER 1 -14.353 21.632 3.313 6 2HB SER 1 2HB SER 1 -13.901 22.332 4.873 7 HG SER 1 HG SER 1 -13.999 19.693 4.057 8 HA PRO 2 HA PRO 2 -18.204 19.450 1.961 9 1HB PRO 2 1HB PRO 2 -16.993 19.925 -0.468 10 2HB PRO 2 2HB PRO 2 -18.365 20.905 0.133 11 1HG PRO 2 1HG PRO 2 -15.394 21.510 0.331 12 2HG PRO 2 2HG PRO 2 -16.699 22.585 -0.270 13 1HD PRO 2 1HD PRO 2 -15.796 22.773 2.273 14 2HD PRO 2 2HD PRO 2 -17.533 22.943 1.915 15 HA PRO 3 HA PRO 3 -14.725 16.600 2.173 16 1HB PRO 3 1HB PRO 3 -15.035 14.888 0.047 17 2HB PRO 3 2HB PRO 3 -16.111 14.867 1.478 18 1HG PRO 3 1HG PRO 3 -16.576 16.251 -1.184 19 2HG PRO 3 2HG PRO 3 -17.702 15.186 -0.281 20 1HD PRO 3 1HD PRO 3 -17.868 17.889 -0.118 21 2HD PRO 3 2HD PRO 3 -18.146 16.872 1.324 22 H ASP 4 H ASP 4 -12.668 15.922 0.940 23 HA ASP 4 HA ASP 4 -11.854 17.984 -0.975 24 1HB ASP 4 1HB ASP 4 -9.748 17.924 0.077 25 2HB ASP 4 2HB ASP 4 -10.901 18.001 1.405 26 H TYR 5 H TYR 5 -9.571 16.892 -1.838 27 HA TYR 5 HA TYR 5 -10.115 14.256 -3.010 28 1HB TYR 5 1HB TYR 5 -9.485 15.454 -5.208 29 2HB TYR 5 2HB TYR 5 -11.109 15.628 -4.588 30 HD1 TYR 5 HD1 TYR 5 -12.006 17.768 -3.977 31 HD2 TYR 5 HD2 TYR 5 -7.823 17.377 -4.957 32 HE1 TYR 5 HE1 TYR 5 -11.800 20.237 -4.056 33 HE2 TYR 5 HE2 TYR 5 -7.607 19.839 -5.038 34 HH TYR 5 HH TYR 5 -8.713 21.883 -4.806 35 H SER 6 H SER 6 -8.199 15.017 -0.924 36 HA SER 6 HA SER 6 -5.593 15.448 -2.063 37 1HB SER 6 1HB SER 6 -6.340 14.521 0.733 38 2HB SER 6 2HB SER 6 -4.813 15.259 0.208 39 HG SER 6 HG SER 6 -7.381 16.331 0.513 40 H ALA 7 H ALA 7 -6.360 13.509 -3.493 41 HA ALA 7 HA ALA 7 -5.942 10.805 -2.829 42 1HB ALA 7 1HB ALA 7 -5.112 12.235 -5.395 43 2HB ALA 7 2HB ALA 7 -5.271 10.477 -5.196 44 3HB ALA 7 3HB ALA 7 -6.706 11.520 -5.058 45 H ALA 8 H ALA 8 -4.322 9.904 -1.819 46 HA ALA 8 HA ALA 8 -2.138 10.943 -0.831 47 1HB ALA 8 1HB ALA 8 -2.951 8.718 -0.247 48 2HB ALA 8 2HB ALA 8 -2.324 8.063 -1.783 49 3HB ALA 8 3HB ALA 8 -1.205 8.679 -0.548 50 HA PRO 9 HA PRO 9 0.553 12.094 -4.062 51 1HB PRO 9 1HB PRO 9 3.017 12.221 -2.707 52 2HB PRO 9 2HB PRO 9 1.761 13.487 -2.781 53 1HG PRO 9 1HG PRO 9 2.237 11.459 -0.602 54 2HG PRO 9 2HG PRO 9 1.773 13.179 -0.452 55 1HD PRO 9 1HD PRO 9 -0.019 11.147 -0.203 56 2HD PRO 9 2HD PRO 9 -0.476 12.702 -0.967 57 H ARG 10 H ARG 10 1.816 11.237 -5.619 58 HA ARG 10 HA ARG 10 2.964 8.538 -5.306 59 1HB ARG 10 1HB ARG 10 1.690 7.940 -7.484 60 2HB ARG 10 2HB ARG 10 0.811 7.906 -5.960 61 1HG ARG 10 1HG ARG 10 -0.208 10.099 -6.435 62 2HG ARG 10 2HG ARG 10 0.676 10.222 -7.955 63 1HD ARG 10 1HD ARG 10 -1.237 7.929 -7.349 64 2HD ARG 10 2HD ARG 10 -1.793 9.496 -7.948 65 HE ARG 10 HE ARG 10 0.339 8.430 -9.564 66 1HH1 ARG 10 1HH1 ARG 10 -3.163 8.318 -9.050 67 2HH1 ARG 10 2HH1 ARG 10 -3.564 7.868 -10.662 68 1HH2 ARG 10 1HH2 ARG 10 -0.165 7.818 -11.759 69 2HH2 ARG 10 2HH2 ARG 10 -1.795 7.573 -12.239 70 H GLY 11 H GLY 11 4.744 8.282 -6.614 71 1HA GLY 11 1HA GLY 11 6.372 8.717 -8.155 72 2HA GLY 11 2HA GLY 11 5.231 9.747 -9.031 73 H ARG 12 H ARG 12 5.504 10.888 -5.857 74 HA ARG 12 HA ARG 12 7.954 12.356 -6.006 75 1HB ARG 12 1HB ARG 12 5.264 13.813 -6.194 76 2HB ARG 12 2HB ARG 12 6.718 14.535 -5.496 77 1HG ARG 12 1HG ARG 12 7.915 14.090 -7.686 78 2HG ARG 12 2HG ARG 12 6.342 13.638 -8.379 79 1HD ARG 12 1HD ARG 12 5.443 15.866 -7.853 80 2HD ARG 12 2HD ARG 12 6.971 16.312 -7.063 81 HE ARG 12 HE ARG 12 7.435 15.442 -9.743 82 1HH1 ARG 12 1HH1 ARG 12 6.225 18.238 -7.934 83 2HH1 ARG 12 2HH1 ARG 12 6.673 19.413 -9.111 84 1HH2 ARG 12 1HH2 ARG 12 8.052 17.004 -11.356 85 2HH2 ARG 12 2HH2 ARG 12 7.737 18.675 -11.120 86 H PHE 13 H PHE 13 8.466 11.515 -4.158 87 HA PHE 13 HA PHE 13 8.282 10.496 -2.046 88 1HB PHE 13 1HB PHE 13 8.089 13.498 -1.709 89 2HB PHE 13 2HB PHE 13 8.705 12.367 -0.502 90 HD1 PHE 13 HD1 PHE 13 10.722 10.845 -1.213 91 HD2 PHE 13 HD2 PHE 13 9.577 14.448 -3.299 92 HE1 PHE 13 HE1 PHE 13 12.951 10.934 -2.294 93 HE2 PHE 13 HE2 PHE 13 11.816 14.528 -4.372 94 HZ PHE 13 HZ PHE 13 13.499 12.768 -3.876 95 H GLY 14 H GLY 14 6.190 9.321 -2.115 96 1HA GLY 14 1HA GLY 14 4.345 10.360 -0.137 97 2HA GLY 14 2HA GLY 14 3.705 10.246 -1.787 98 H ILE 15 H ILE 15 2.482 8.780 0.068 99 HA ILE 15 HA ILE 15 3.423 5.956 -0.202 100 HB ILE 15 HB ILE 15 2.146 7.340 2.173 101 1HG1 ILE 15 1HG1 ILE 15 4.403 6.164 3.167 102 2HG1 ILE 15 2HG1 ILE 15 4.974 6.541 1.548 103 1HG2 ILE 15 1HG2 ILE 15 1.228 5.101 1.964 104 2HG2 ILE 15 2HG2 ILE 15 2.838 4.408 1.764 105 3HG2 ILE 15 3HG2 ILE 15 2.361 5.145 3.309 106 1HD1 ILE 15 1HD1 ILE 15 3.786 8.507 3.564 107 2HD1 ILE 15 2HD1 ILE 15 5.503 8.325 3.163 108 3HD1 ILE 15 3HD1 ILE 15 4.378 8.951 1.950 109 HA PRO 16 HA PRO 16 -0.781 6.223 -1.961 110 1HB PRO 16 1HB PRO 16 -0.368 4.642 -4.168 111 2HB PRO 16 2HB PRO 16 0.083 6.369 -4.127 112 1HG PRO 16 1HG PRO 16 1.874 3.970 -3.635 113 2HG PRO 16 2HG PRO 16 2.175 5.375 -4.710 114 1HD PRO 16 1HD PRO 16 3.196 5.242 -2.186 115 2HD PRO 16 2HD PRO 16 2.656 6.787 -2.867 116 H PHE 17 H PHE 17 -1.796 3.750 -2.831 117 HA PHE 17 HA PHE 17 -2.026 2.244 -0.457 118 1HB PHE 17 1HB PHE 17 -3.353 0.710 -1.915 119 2HB PHE 17 2HB PHE 17 -3.799 2.390 -2.085 120 HD1 PHE 17 HD1 PHE 17 -1.821 -0.361 -3.736 121 HD2 PHE 17 HD2 PHE 17 -3.781 3.460 -4.226 122 HE1 PHE 17 HE1 PHE 17 -1.438 -0.473 -6.174 123 HE2 PHE 17 HE2 PHE 17 -3.407 3.323 -6.671 124 HZ PHE 17 HZ PHE 17 -2.224 1.364 -7.648 125 H PHE 18 H PHE 18 0.846 2.295 -1.594 126 HA PHE 18 HA PHE 18 1.480 -0.192 -2.779 127 1HB PHE 18 1HB PHE 18 3.729 0.287 -2.537 128 2HB PHE 18 2HB PHE 18 2.979 1.860 -2.645 129 HD1 PHE 18 HD1 PHE 18 3.430 3.528 -0.986 130 HD2 PHE 18 HD2 PHE 18 4.530 -0.580 -0.303 131 HE1 PHE 18 HE1 PHE 18 4.944 4.222 0.860 132 HE2 PHE 18 HE2 PHE 18 5.929 0.111 1.615 133 HZ PHE 18 HZ PHE 18 6.150 2.518 2.191 134 HA PRO 19 HA PRO 19 2.576 -1.914 1.516 135 1HB PRO 19 1HB PRO 19 1.115 -1.271 3.752 136 2HB PRO 19 2HB PRO 19 2.621 -0.447 3.244 137 1HG PRO 19 1HG PRO 19 -0.237 0.405 2.699 138 2HG PRO 19 2HG PRO 19 1.117 1.399 3.332 139 1HD PRO 19 1HD PRO 19 0.457 1.460 0.755 140 2HD PRO 19 2HD PRO 19 2.175 1.464 1.229 141 H VAL 20 H VAL 20 -0.625 -1.517 0.206 142 HA VAL 20 HA VAL 20 -2.052 -3.627 1.446 143 HB VAL 20 HB VAL 20 -1.970 -2.412 -1.346 144 1HG1 VAL 20 1HG1 VAL 20 -4.031 -3.602 -1.944 145 2HG1 VAL 20 2HG1 VAL 20 -2.619 -4.634 -1.860 146 3HG1 VAL 20 3HG1 VAL 20 -3.788 -4.671 -0.525 147 1HG2 VAL 20 1HG2 VAL 20 -2.955 -1.059 0.498 148 2HG2 VAL 20 2HG2 VAL 20 -4.163 -1.495 -0.714 149 3HG2 VAL 20 3HG2 VAL 20 -4.109 -2.370 0.831 150 H HIS 21 H HIS 21 0.060 -3.702 -1.430 151 HA HIS 21 HA HIS 21 -0.239 -6.464 -1.983 152 1HB HIS 21 1HB HIS 21 1.658 -4.238 -2.615 153 2HB HIS 21 2HB HIS 21 2.071 -5.871 -3.158 154 HD1 HIS 21 HD1 HIS 21 -1.651 -5.177 -3.509 155 HD2 HIS 21 HD2 HIS 21 1.953 -4.480 -5.595 156 HE1 HIS 21 HE1 HIS 21 -2.291 -4.581 -5.891 157 H LEU 22 H LEU 22 2.044 -4.749 0.084 158 HA LEU 22 HA LEU 22 3.689 -7.077 0.667 159 1HB LEU 22 1HB LEU 22 3.483 -4.310 1.943 160 2HB LEU 22 2HB LEU 22 4.616 -5.542 2.430 161 HG LEU 22 HG LEU 22 5.927 -4.222 1.100 162 1HD1 LEU 22 1HD1 LEU 22 4.935 -6.212 -0.986 163 2HD1 LEU 22 2HD1 LEU 22 6.520 -5.433 -0.905 164 3HD1 LEU 22 3HD1 LEU 22 6.060 -6.605 0.341 165 1HD2 LEU 22 1HD2 LEU 22 3.791 -3.996 -1.060 166 2HD2 LEU 22 2HD2 LEU 22 4.134 -2.784 0.192 167 3HD2 LEU 22 3HD2 LEU 22 5.365 -3.192 -1.004 168 H LYS 23 H LYS 23 1.163 -5.246 2.531 169 HA LYS 23 HA LYS 23 1.187 -7.027 4.753 170 1HB LYS 23 1HB LYS 23 0.147 -4.810 4.833 171 2HB LYS 23 2HB LYS 23 -1.006 -5.265 3.582 172 1HG LYS 23 1HG LYS 23 -2.055 -5.220 5.774 173 2HG LYS 23 2HG LYS 23 -2.114 -6.831 5.075 174 1HD LYS 23 1HD LYS 23 -0.276 -7.567 6.553 175 2HD LYS 23 2HD LYS 23 -0.138 -5.920 7.217 176 1HE LYS 23 1HE LYS 23 -2.472 -6.059 8.045 177 2HE LYS 23 2HE LYS 23 -2.641 -7.671 7.343 178 1HZ LYS 23 1HZ LYS 23 -0.788 -6.954 9.535 179 2HZ LYS 23 2HZ LYS 23 -2.191 -7.785 9.694 180 3HZ LYS 23 3HZ LYS 23 -0.940 -8.456 8.874 181 H ARG 24 H ARG 24 -0.311 -7.268 1.565 182 HA ARG 24 HA ARG 24 -1.970 -9.546 2.121 183 1HB ARG 24 1HB ARG 24 -2.430 -8.242 0.209 184 2HB ARG 24 2HB ARG 24 -0.802 -8.327 -0.394 185 1HG ARG 24 1HG ARG 24 -2.755 -10.670 -0.327 186 2HG ARG 24 2HG ARG 24 -2.494 -9.598 -1.692 187 1HD ARG 24 1HD ARG 24 -0.684 -11.766 -0.662 188 2HD ARG 24 2HD ARG 24 -1.285 -11.464 -2.286 189 HE ARG 24 HE ARG 24 0.446 -9.335 -1.314 190 1HH1 ARG 24 1HH1 ARG 24 0.549 -12.538 -2.836 191 2HH1 ARG 24 2HH1 ARG 24 2.157 -12.367 -3.423 192 1HH2 ARG 24 1HH2 ARG 24 2.505 -9.085 -2.004 193 2HH2 ARG 24 2HH2 ARG 24 3.328 -10.280 -2.963 194 H LEU 25 H LEU 25 1.496 -9.258 1.311 195 HA LEU 25 HA LEU 25 1.891 -12.092 0.898 196 1HB LEU 25 1HB LEU 25 3.435 -10.165 0.228 197 2HB LEU 25 2HB LEU 25 3.950 -10.072 1.904 198 HG LEU 25 HG LEU 25 4.125 -12.651 0.290 199 1HD1 LEU 25 1HD1 LEU 25 5.369 -10.885 -0.901 200 2HD1 LEU 25 2HD1 LEU 25 6.244 -10.480 0.594 201 3HD1 LEU 25 3HD1 LEU 25 6.472 -12.059 -0.179 202 1HD2 LEU 25 1HD2 LEU 25 4.451 -13.054 2.688 203 2HD2 LEU 25 2HD2 LEU 25 6.008 -13.144 1.895 204 3HD2 LEU 25 3HD2 LEU 25 5.580 -11.684 2.806 205 H LEU 26 H LEU 26 2.263 -9.856 3.660 206 HA LEU 26 HA LEU 26 2.997 -11.866 5.546 207 1HB LEU 26 1HB LEU 26 3.437 -9.531 5.897 208 2HB LEU 26 2HB LEU 26 1.725 -9.133 5.960 209 HG LEU 26 HG LEU 26 2.607 -11.225 7.926 210 1HD1 LEU 26 1HD1 LEU 26 3.604 -9.586 9.474 211 2HD1 LEU 26 2HD1 LEU 26 4.568 -9.778 8.011 212 3HD1 LEU 26 3HD1 LEU 26 3.548 -8.337 8.204 213 1HD2 LEU 26 1HD2 LEU 26 0.307 -10.205 7.893 214 2HD2 LEU 26 2HD2 LEU 26 1.158 -9.969 9.427 215 3HD2 LEU 26 3HD2 LEU 26 1.063 -8.621 8.264 216 H ILE 27 H ILE 27 -0.281 -10.674 4.661 217 HA ILE 27 HA ILE 27 -1.696 -12.238 6.592 218 HB ILE 27 HB ILE 27 -2.460 -11.047 3.902 219 1HG1 ILE 27 1HG1 ILE 27 -3.409 -10.391 6.730 220 2HG1 ILE 27 2HG1 ILE 27 -2.033 -9.599 5.995 221 1HG2 ILE 27 1HG2 ILE 27 -4.302 -12.545 5.827 222 2HG2 ILE 27 2HG2 ILE 27 -4.844 -11.599 4.424 223 3HG2 ILE 27 3HG2 ILE 27 -3.888 -13.044 4.180 224 1HD1 ILE 27 1HD1 ILE 27 -3.480 -8.755 4.148 225 2HD1 ILE 27 2HD1 ILE 27 -4.896 -9.465 4.960 226 3HD1 ILE 27 3HD1 ILE 27 -3.986 -8.181 5.751 227 H LEU 28 H LEU 28 -0.718 -12.980 3.171 228 HA LEU 28 HA LEU 28 -1.801 -15.623 3.215 229 1HB LEU 28 1HB LEU 28 -1.070 -14.214 1.244 230 2HB LEU 28 2HB LEU 28 0.583 -14.704 1.604 231 HG LEU 28 HG LEU 28 -0.528 -15.986 -0.133 232 1HD1 LEU 28 1HD1 LEU 28 -0.084 -17.969 2.086 233 2HD1 LEU 28 2HD1 LEU 28 0.267 -18.113 0.373 234 3HD1 LEU 28 3HD1 LEU 28 1.248 -17.022 1.390 235 1HD2 LEU 28 1HD2 LEU 28 -2.346 -17.561 0.246 236 2HD2 LEU 28 2HD2 LEU 28 -2.312 -17.286 1.978 237 3HD2 LEU 28 3HD2 LEU 28 -2.877 -15.995 0.906 238 H LEU 29 H LEU 29 1.486 -14.534 3.953 239 HA LEU 29 HA LEU 29 2.600 -16.999 4.691 240 1HB LEU 29 1HB LEU 29 3.911 -14.935 4.592 241 2HB LEU 29 2HB LEU 29 3.030 -14.275 5.973 242 HG LEU 29 HG LEU 29 3.969 -16.036 7.448 243 1HD1 LEU 29 1HD1 LEU 29 5.549 -16.880 4.967 244 2HD1 LEU 29 2HD1 LEU 29 5.874 -17.422 6.628 245 3HD1 LEU 29 3HD1 LEU 29 4.359 -17.864 5.853 246 1HD2 LEU 29 1HD2 LEU 29 6.261 -15.160 7.491 247 2HD2 LEU 29 2HD2 LEU 29 6.063 -14.500 5.854 248 3HD2 LEU 29 3HD2 LEU 29 5.096 -13.860 7.205 249 H LEU 30 H LEU 30 0.678 -14.801 6.789 250 HA LEU 30 HA LEU 30 0.655 -16.512 9.076 251 1HB LEU 30 1HB LEU 30 0.066 -14.094 9.053 252 2HB LEU 30 2HB LEU 30 -1.403 -14.480 8.176 253 HG LEU 30 HG LEU 30 -2.252 -15.816 10.078 254 1HD1 LEU 30 1HD1 LEU 30 0.302 -14.895 11.491 255 2HD1 LEU 30 2HD1 LEU 30 -1.107 -15.626 12.297 256 3HD1 LEU 30 3HD1 LEU 30 -0.181 -16.572 11.140 257 1HD2 LEU 30 1HD2 LEU 30 -2.698 -13.923 11.569 258 2HD2 LEU 30 2HD2 LEU 30 -1.361 -13.003 10.839 259 3HD2 LEU 30 3HD2 LEU 30 -2.801 -13.427 9.875 260 H LEU 31 H LEU 31 -1.508 -16.253 6.304 261 HA LEU 31 HA LEU 31 -3.432 -18.227 7.085 262 1HB LEU 31 1HB LEU 31 -3.694 -16.436 5.355 263 2HB LEU 31 2HB LEU 31 -2.740 -17.425 4.260 264 HG LEU 31 HG LEU 31 -4.957 -18.939 5.524 265 1HD1 LEU 31 1HD1 LEU 31 -5.663 -16.571 3.746 266 2HD1 LEU 31 2HD1 LEU 31 -6.771 -17.859 4.276 267 3HD1 LEU 31 3HD1 LEU 31 -6.069 -16.760 5.470 268 1HD2 LEU 31 1HD2 LEU 31 -5.403 -19.648 3.240 269 2HD2 LEU 31 2HD2 LEU 31 -4.355 -18.373 2.580 270 3HD2 LEU 31 3HD2 LEU 31 -3.662 -19.718 3.514 271 1HN NH2 32 1HN NH2 32 -0.124 -18.665 6.115 272 2HN NH2 32 2HN NH2 32 -0.261 -20.389 5.826 Start of MODEL 17 1 1H SER 1 1H SER 1 -14.211 7.139 5.557 2 2H SER 1 2H SER 1 -15.729 7.776 5.695 3 3H SER 1 3H SER 1 -15.358 6.283 6.369 4 HA SER 1 HA SER 1 -16.605 6.190 4.220 5 1HB SER 1 1HB SER 1 -14.887 6.539 2.287 6 2HB SER 1 2HB SER 1 -15.584 7.958 3.043 7 HG SER 1 HG SER 1 -13.066 7.299 2.784 8 HA PRO 2 HA PRO 2 -14.338 2.094 3.855 9 1HB PRO 2 1HB PRO 2 -13.766 2.988 1.011 10 2HB PRO 2 2HB PRO 2 -14.213 1.351 1.589 11 1HG PRO 2 1HG PRO 2 -16.081 2.890 0.444 12 2HG PRO 2 2HG PRO 2 -16.474 1.995 1.953 13 1HD PRO 2 1HD PRO 2 -15.771 4.889 1.598 14 2HD PRO 2 2HD PRO 2 -17.020 4.165 2.644 15 HA PRO 3 HA PRO 3 -10.044 3.522 4.105 16 1HB PRO 3 1HB PRO 3 -8.454 1.447 3.387 17 2HB PRO 3 2HB PRO 3 -9.540 1.355 4.803 18 1HG PRO 3 1HG PRO 3 -10.092 0.343 1.990 19 2HG PRO 3 2HG PRO 3 -10.236 -0.563 3.532 20 1HD PRO 3 1HD PRO 3 -12.364 0.649 2.349 21 2HD PRO 3 2HD PRO 3 -12.206 0.591 4.130 22 H ASP 4 H ASP 4 -11.100 4.875 2.180 23 HA ASP 4 HA ASP 4 -9.624 4.625 -0.369 24 1HB ASP 4 1HB ASP 4 -11.585 5.798 -1.300 25 2HB ASP 4 2HB ASP 4 -12.004 4.262 -0.563 26 H TYR 5 H TYR 5 -8.684 5.893 2.142 27 HA TYR 5 HA TYR 5 -8.898 8.662 2.169 28 1HB TYR 5 1HB TYR 5 -6.890 8.493 3.638 29 2HB TYR 5 2HB TYR 5 -8.142 7.350 4.085 30 HD1 TYR 5 HD1 TYR 5 -7.864 4.922 3.701 31 HD2 TYR 5 HD2 TYR 5 -4.720 7.712 2.739 32 HE1 TYR 5 HE1 TYR 5 -6.333 3.039 3.327 33 HE2 TYR 5 HE2 TYR 5 -3.145 5.819 2.413 34 HH TYR 5 HH TYR 5 -4.236 2.420 2.647 35 H SER 6 H SER 6 -7.257 10.024 1.872 36 HA SER 6 HA SER 6 -6.225 10.351 -0.770 37 1HB SER 6 1HB SER 6 -5.687 12.052 1.702 38 2HB SER 6 2HB SER 6 -5.646 12.576 0.010 39 HG SER 6 HG SER 6 -7.934 12.139 -0.045 40 H ALA 7 H ALA 7 -5.068 8.228 -0.197 41 HA ALA 7 HA ALA 7 -2.602 7.950 1.032 42 1HB ALA 7 1HB ALA 7 -3.181 6.901 -1.765 43 2HB ALA 7 2HB ALA 7 -2.070 6.221 -0.543 44 3HB ALA 7 3HB ALA 7 -3.816 6.175 -0.268 45 H ALA 8 H ALA 8 -0.649 8.777 0.855 46 HA ALA 8 HA ALA 8 -0.306 11.270 -0.239 47 1HB ALA 8 1HB ALA 8 2.195 10.811 0.356 48 2HB ALA 8 2HB ALA 8 0.962 10.746 1.623 49 3HB ALA 8 3HB ALA 8 1.576 9.243 0.945 50 HA PRO 9 HA PRO 9 0.458 11.396 -4.379 51 1HB PRO 9 1HB PRO 9 2.795 12.931 -4.652 52 2HB PRO 9 2HB PRO 9 1.113 13.494 -4.485 53 1HG PRO 9 1HG PRO 9 3.197 13.106 -2.320 54 2HG PRO 9 2HG PRO 9 2.064 14.480 -2.545 55 1HD PRO 9 1HD PRO 9 1.524 12.583 -0.765 56 2HD PRO 9 2HD PRO 9 0.209 13.146 -1.832 57 H ARG 10 H ARG 10 0.710 9.599 -5.280 58 HA ARG 10 HA ARG 10 2.755 7.736 -5.236 59 1HB ARG 10 1HB ARG 10 1.947 7.012 -7.548 60 2HB ARG 10 2HB ARG 10 0.864 6.957 -6.197 61 1HG ARG 10 1HG ARG 10 -0.666 8.167 -7.295 62 2HG ARG 10 2HG ARG 10 0.435 9.525 -7.467 63 1HD ARG 10 1HD ARG 10 0.313 7.158 -9.379 64 2HD ARG 10 2HD ARG 10 -0.501 8.718 -9.618 65 HE ARG 10 HE ARG 10 2.210 9.238 -9.087 66 1HH1 ARG 10 1HH1 ARG 10 0.252 7.877 -11.717 67 2HH1 ARG 10 2HH1 ARG 10 1.372 8.265 -12.966 68 1HH2 ARG 10 1HH2 ARG 10 3.711 9.745 -10.695 69 2HH2 ARG 10 2HH2 ARG 10 3.427 9.378 -12.359 70 H GLY 11 H GLY 11 4.753 7.865 -5.647 71 1HA GLY 11 1HA GLY 11 6.784 8.192 -6.769 72 2HA GLY 11 2HA GLY 11 5.822 8.536 -8.213 73 H ARG 12 H ARG 12 5.079 10.586 -5.596 74 HA ARG 12 HA ARG 12 6.949 12.737 -6.440 75 1HB ARG 12 1HB ARG 12 3.923 12.735 -6.475 76 2HB ARG 12 2HB ARG 12 4.762 14.239 -6.124 77 1HG ARG 12 1HG ARG 12 5.299 12.569 -8.623 78 2HG ARG 12 2HG ARG 12 4.041 13.797 -8.547 79 1HD ARG 12 1HD ARG 12 7.000 14.336 -8.053 80 2HD ARG 12 2HD ARG 12 6.141 14.629 -9.574 81 HE ARG 12 HE ARG 12 4.774 15.923 -7.442 82 1HH1 ARG 12 1HH1 ARG 12 7.744 16.300 -9.345 83 2HH1 ARG 12 2HH1 ARG 12 7.834 18.010 -9.160 84 1HH2 ARG 12 1HH2 ARG 12 4.877 18.224 -7.179 85 2HH2 ARG 12 2HH2 ARG 12 6.150 19.126 -7.890 86 H PHE 13 H PHE 13 7.942 11.727 -4.541 87 HA PHE 13 HA PHE 13 8.224 11.140 -2.372 88 1HB PHE 13 1HB PHE 13 7.708 14.098 -2.417 89 2HB PHE 13 2HB PHE 13 8.433 13.270 -1.030 90 HD1 PHE 13 HD1 PHE 13 10.628 11.967 -1.394 91 HD2 PHE 13 HD2 PHE 13 9.052 14.777 -4.266 92 HE1 PHE 13 HE1 PHE 13 12.849 12.107 -2.486 93 HE2 PHE 13 HE2 PHE 13 11.286 14.908 -5.351 94 HZ PHE 13 HZ PHE 13 13.179 13.565 -4.467 95 H GLY 14 H GLY 14 6.089 9.833 -2.540 96 1HA GLY 14 1HA GLY 14 4.594 10.417 -0.135 97 2HA GLY 14 2HA GLY 14 3.658 10.508 -1.640 98 H ILE 15 H ILE 15 3.024 8.739 0.249 99 HA ILE 15 HA ILE 15 3.926 5.979 -0.453 100 HB ILE 15 HB ILE 15 2.770 7.226 2.058 101 1HG1 ILE 15 1HG1 ILE 15 5.534 6.029 1.578 102 2HG1 ILE 15 2HG1 ILE 15 5.173 7.748 1.684 103 1HG2 ILE 15 1HG2 ILE 15 1.892 4.932 1.736 104 2HG2 ILE 15 2HG2 ILE 15 3.540 4.318 1.591 105 3HG2 ILE 15 3HG2 ILE 15 2.967 5.021 3.115 106 1HD1 ILE 15 1HD1 ILE 15 4.941 5.733 3.940 107 2HD1 ILE 15 2HD1 ILE 15 6.072 7.082 3.783 108 3HD1 ILE 15 3HD1 ILE 15 4.346 7.411 4.027 109 HA PRO 16 HA PRO 16 -0.398 6.265 -1.926 110 1HB PRO 16 1HB PRO 16 -0.169 4.597 -4.092 111 2HB PRO 16 2HB PRO 16 0.323 6.314 -4.116 112 1HG PRO 16 1HG PRO 16 2.087 3.885 -3.644 113 2HG PRO 16 2HG PRO 16 2.352 5.227 -4.806 114 1HD PRO 16 1HD PRO 16 3.532 5.213 -2.360 115 2HD PRO 16 2HD PRO 16 2.931 6.734 -3.058 116 H PHE 17 H PHE 17 -1.547 3.825 -2.674 117 HA PHE 17 HA PHE 17 -1.753 2.315 -0.315 118 1HB PHE 17 1HB PHE 17 -3.124 0.812 -1.798 119 2HB PHE 17 2HB PHE 17 -3.552 2.505 -1.893 120 HD1 PHE 17 HD1 PHE 17 -3.565 3.660 -3.982 121 HD2 PHE 17 HD2 PHE 17 -1.623 -0.190 -3.691 122 HE1 PHE 17 HE1 PHE 17 -3.224 3.636 -6.433 123 HE2 PHE 17 HE2 PHE 17 -1.278 -0.194 -6.141 124 HZ PHE 17 HZ PHE 17 -2.075 1.713 -7.518 125 H PHE 18 H PHE 18 1.103 2.290 -1.495 126 HA PHE 18 HA PHE 18 1.636 -0.217 -2.694 127 1HB PHE 18 1HB PHE 18 3.903 0.195 -2.522 128 2HB PHE 18 2HB PHE 18 3.185 1.781 -2.635 129 HD1 PHE 18 HD1 PHE 18 4.551 -0.656 -0.106 130 HD2 PHE 18 HD2 PHE 18 4.048 3.457 -1.281 131 HE1 PHE 18 HE1 PHE 18 6.096 0.044 1.687 132 HE2 PHE 18 HE2 PHE 18 5.705 4.132 0.430 133 HZ PHE 18 HZ PHE 18 6.690 2.441 1.955 134 HA PRO 19 HA PRO 19 2.709 -1.952 1.632 135 1HB PRO 19 1HB PRO 19 1.095 -1.307 3.789 136 2HB PRO 19 2HB PRO 19 2.680 -0.567 3.410 137 1HG PRO 19 1HG PRO 19 -0.079 0.461 2.698 138 2HG PRO 19 2HG PRO 19 1.296 1.367 3.412 139 1HD PRO 19 1HD PRO 19 0.787 1.509 0.818 140 2HD PRO 19 2HD PRO 19 2.476 1.364 1.358 141 H VAL 20 H VAL 20 -0.452 -1.546 0.210 142 HA VAL 20 HA VAL 20 -1.913 -3.684 1.350 143 HB VAL 20 HB VAL 20 -1.712 -2.420 -1.414 144 1HG1 VAL 20 1HG1 VAL 20 -3.568 -4.694 -0.715 145 2HG1 VAL 20 2HG1 VAL 20 -3.727 -3.614 -2.136 146 3HG1 VAL 20 3HG1 VAL 20 -2.330 -4.658 -1.981 147 1HG2 VAL 20 1HG2 VAL 20 -2.798 -1.116 0.415 148 2HG2 VAL 20 2HG2 VAL 20 -3.940 -1.533 -0.866 149 3HG2 VAL 20 3HG2 VAL 20 -3.956 -2.443 0.658 150 H HIS 21 H HIS 21 0.331 -3.712 -1.425 151 HA HIS 21 HA HIS 21 0.055 -6.469 -2.039 152 1HB HIS 21 1HB HIS 21 1.974 -4.231 -2.558 153 2HB HIS 21 2HB HIS 21 2.419 -5.857 -3.095 154 HD1 HIS 21 HD1 HIS 21 -1.271 -4.778 -3.543 155 HD2 HIS 21 HD2 HIS 21 2.415 -4.831 -5.602 156 HE1 HIS 21 HE1 HIS 21 -1.791 -4.303 -5.984 157 H LEU 22 H LEU 22 2.211 -4.779 0.155 158 HA LEU 22 HA LEU 22 3.865 -7.096 0.777 159 1HB LEU 22 1HB LEU 22 3.587 -4.327 2.037 160 2HB LEU 22 2HB LEU 22 4.707 -5.545 2.585 161 HG LEU 22 HG LEU 22 6.054 -4.212 1.302 162 1HD1 LEU 22 1HD1 LEU 22 5.211 -6.261 -0.794 163 2HD1 LEU 22 2HD1 LEU 22 6.775 -5.452 -0.637 164 3HD1 LEU 22 3HD1 LEU 22 6.264 -6.612 0.601 165 1HD2 LEU 22 1HD2 LEU 22 4.255 -2.848 0.272 166 2HD2 LEU 22 2HD2 LEU 22 5.585 -3.216 -0.828 167 3HD2 LEU 22 3HD2 LEU 22 4.050 -4.082 -0.987 168 H LYS 23 H LYS 23 1.250 -5.305 2.563 169 HA LYS 23 HA LYS 23 1.230 -7.149 4.741 170 1HB LYS 23 1HB LYS 23 0.170 -4.957 4.906 171 2HB LYS 23 2HB LYS 23 -0.944 -5.350 3.599 172 1HG LYS 23 1HG LYS 23 -2.055 -5.435 5.769 173 2HG LYS 23 2HG LYS 23 -2.088 -6.996 4.964 174 1HD LYS 23 1HD LYS 23 -0.248 -7.796 6.443 175 2HD LYS 23 2HD LYS 23 -0.222 -6.213 7.253 176 1HE LYS 23 1HE LYS 23 -2.540 -6.535 8.004 177 2HE LYS 23 2HE LYS 23 -2.674 -8.027 7.070 178 1HZ LYS 23 1HZ LYS 23 -0.876 -7.642 9.389 179 2HZ LYS 23 2HZ LYS 23 -2.284 -8.480 9.392 180 3HZ LYS 23 3HZ LYS 23 -1.020 -9.030 8.510 181 H ARG 24 H ARG 24 -0.157 -7.323 1.494 182 HA ARG 24 HA ARG 24 -1.816 -9.621 1.960 183 1HB ARG 24 1HB ARG 24 -2.202 -8.324 0.033 184 2HB ARG 24 2HB ARG 24 -0.549 -8.392 -0.499 185 1HG ARG 24 1HG ARG 24 -2.482 -10.752 -0.510 186 2HG ARG 24 2HG ARG 24 -2.167 -9.685 -1.867 187 1HD ARG 24 1HD ARG 24 -0.414 -11.851 -0.750 188 2HD ARG 24 2HD ARG 24 -0.906 -11.532 -2.408 189 HE ARG 24 HE ARG 24 0.718 -9.376 -1.403 190 1HH1 ARG 24 1HH1 ARG 24 1.063 -12.704 -2.586 191 2HH1 ARG 24 2HH1 ARG 24 2.728 -12.538 -2.993 192 1HH2 ARG 24 1HH2 ARG 24 2.840 -9.133 -1.857 193 2HH2 ARG 24 2HH2 ARG 24 3.790 -10.378 -2.614 194 H LEU 25 H LEU 25 1.685 -9.309 1.364 195 HA LEU 25 HA LEU 25 2.136 -12.131 0.956 196 1HB LEU 25 1HB LEU 25 3.692 -10.133 0.447 197 2HB LEU 25 2HB LEU 25 4.113 -10.135 2.150 198 HG LEU 25 HG LEU 25 4.399 -12.596 0.372 199 1HD1 LEU 25 1HD1 LEU 25 6.483 -10.463 1.005 200 2HD1 LEU 25 2HD1 LEU 25 6.771 -11.974 0.122 201 3HD1 LEU 25 3HD1 LEU 25 5.719 -10.740 -0.577 202 1HD2 LEU 25 1HD2 LEU 25 4.542 -13.201 2.736 203 2HD2 LEU 25 2HD2 LEU 25 6.161 -13.221 2.069 204 3HD2 LEU 25 3HD2 LEU 25 5.647 -11.846 3.065 205 H LEU 26 H LEU 26 2.241 -9.926 3.771 206 HA LEU 26 HA LEU 26 2.859 -11.962 5.678 207 1HB LEU 26 1HB LEU 26 3.235 -9.595 6.110 208 2HB LEU 26 2HB LEU 26 1.503 -9.267 6.018 209 HG LEU 26 HG LEU 26 1.108 -10.605 8.062 210 1HD1 LEU 26 1HD1 LEU 26 2.961 -12.235 7.960 211 2HD1 LEU 26 2HD1 LEU 26 4.153 -10.929 8.126 212 3HD1 LEU 26 3HD1 LEU 26 3.052 -11.325 9.462 213 1HD2 LEU 26 1HD2 LEU 26 1.579 -8.167 8.191 214 2HD2 LEU 26 2HD2 LEU 26 2.132 -9.045 9.638 215 3HD2 LEU 26 3HD2 LEU 26 3.300 -8.529 8.412 216 H ILE 27 H ILE 27 -0.332 -10.803 4.498 217 HA ILE 27 HA ILE 27 -1.913 -12.346 6.325 218 HB ILE 27 HB ILE 27 -2.443 -11.192 3.562 219 1HG1 ILE 27 1HG1 ILE 27 -3.628 -10.490 6.288 220 2HG1 ILE 27 2HG1 ILE 27 -2.186 -9.719 5.668 221 1HG2 ILE 27 1HG2 ILE 27 -4.444 -12.654 5.352 222 2HG2 ILE 27 2HG2 ILE 27 -4.861 -11.735 3.889 223 3HG2 ILE 27 3HG2 ILE 27 -3.890 -13.188 3.758 224 1HD1 ILE 27 1HD1 ILE 27 -4.942 -9.572 4.384 225 2HD1 ILE 27 2HD1 ILE 27 -4.086 -8.287 5.237 226 3HD1 ILE 27 3HD1 ILE 27 -3.452 -8.886 3.690 227 H LEU 28 H LEU 28 -0.661 -13.091 3.001 228 HA LEU 28 HA LEU 28 -1.641 -15.771 2.952 229 1HB LEU 28 1HB LEU 28 -0.777 -14.349 1.062 230 2HB LEU 28 2HB LEU 28 0.853 -14.747 1.597 231 HG LEU 28 HG LEU 28 0.010 -16.097 -0.238 232 1HD1 LEU 28 1HD1 LEU 28 1.655 -17.008 1.511 233 2HD1 LEU 28 2HD1 LEU 28 0.309 -18.042 2.034 234 3HD1 LEU 28 3HD1 LEU 28 0.883 -18.155 0.378 235 1HD2 LEU 28 1HD2 LEU 28 -1.925 -17.475 1.684 236 2HD2 LEU 28 2HD2 LEU 28 -2.430 -16.250 0.520 237 3HD2 LEU 28 3HD2 LEU 28 -1.731 -17.791 -0.032 238 H LEU 29 H LEU 29 1.536 -14.583 4.030 239 HA LEU 29 HA LEU 29 2.573 -17.054 4.863 240 1HB LEU 29 1HB LEU 29 3.823 -14.928 4.806 241 2HB LEU 29 2HB LEU 29 2.914 -14.313 6.172 242 HG LEU 29 HG LEU 29 5.259 -15.050 6.593 243 1HD1 LEU 29 1HD1 LEU 29 3.585 -14.787 8.432 244 2HD1 LEU 29 2HD1 LEU 29 3.328 -16.546 8.386 245 3HD1 LEU 29 3HD1 LEU 29 4.920 -15.900 8.776 246 1HD2 LEU 29 1HD2 LEU 29 5.260 -17.107 5.216 247 2HD2 LEU 29 2HD2 LEU 29 5.833 -17.380 6.870 248 3HD2 LEU 29 3HD2 LEU 29 4.204 -17.893 6.411 249 H LEU 30 H LEU 30 0.360 -14.934 6.713 250 HA LEU 30 HA LEU 30 0.255 -16.678 9.010 251 1HB LEU 30 1HB LEU 30 -0.315 -14.238 8.973 252 2HB LEU 30 2HB LEU 30 -1.740 -14.621 8.026 253 HG LEU 30 HG LEU 30 -2.660 -15.984 9.889 254 1HD1 LEU 30 1HD1 LEU 30 -0.194 -15.009 11.418 255 2HD1 LEU 30 2HD1 LEU 30 -1.623 -15.773 12.157 256 3HD1 LEU 30 3HD1 LEU 30 -0.620 -16.696 11.047 257 1HD2 LEU 30 1HD2 LEU 30 -3.206 -14.095 11.351 258 2HD2 LEU 30 2HD2 LEU 30 -1.854 -13.154 10.678 259 3HD2 LEU 30 3HD2 LEU 30 -3.242 -13.607 9.652 260 H LEU 31 H LEU 31 -1.742 -16.331 6.095 261 HA LEU 31 HA LEU 31 -3.113 -18.868 6.633 262 1HB LEU 31 1HB LEU 31 -4.513 -16.980 7.473 263 2HB LEU 31 2HB LEU 31 -4.424 -16.231 5.876 264 HG LEU 31 HG LEU 31 -5.609 -18.225 4.911 265 1HD1 LEU 31 1HD1 LEU 31 -5.905 -19.051 7.836 266 2HD1 LEU 31 2HD1 LEU 31 -6.807 -19.756 6.477 267 3HD1 LEU 31 3HD1 LEU 31 -5.058 -19.958 6.565 268 1HD2 LEU 31 1HD2 LEU 31 -7.823 -17.631 5.807 269 2HD2 LEU 31 2HD2 LEU 31 -7.060 -16.820 7.193 270 3HD2 LEU 31 3HD2 LEU 31 -6.835 -16.187 5.545 271 1HN NH2 32 1HN NH2 32 -1.448 -19.549 5.132 272 2HN NH2 32 2HN NH2 32 -1.786 -19.385 3.424 Start of MODEL 18 1 1H SER 1 1H SER 1 -13.341 21.991 -3.429 2 2H SER 1 2H SER 1 -12.685 20.486 -3.324 3 3H SER 1 3H SER 1 -11.709 21.791 -3.085 4 HA SER 1 HA SER 1 -11.834 22.376 -5.353 5 1HB SER 1 1HB SER 1 -11.156 20.015 -6.319 6 2HB SER 1 2HB SER 1 -10.165 20.749 -5.049 7 HG SER 1 HG SER 1 -11.030 18.433 -4.957 8 HA PRO 2 HA PRO 2 -15.529 20.727 -7.646 9 1HB PRO 2 1HB PRO 2 -14.435 19.960 -10.056 10 2HB PRO 2 2HB PRO 2 -14.803 21.668 -9.660 11 1HG PRO 2 1HG PRO 2 -12.145 20.220 -9.440 12 2HG PRO 2 2HG PRO 2 -12.481 21.810 -10.200 13 1HD PRO 2 1HD PRO 2 -11.517 21.620 -7.671 14 2HD PRO 2 2HD PRO 2 -12.706 22.872 -8.110 15 HA PRO 3 HA PRO 3 -14.803 16.391 -6.783 16 1HB PRO 3 1HB PRO 3 -16.109 14.976 -8.761 17 2HB PRO 3 2HB PRO 3 -16.929 15.801 -7.400 18 1HG PRO 3 1HG PRO 3 -16.514 16.825 -10.224 19 2HG PRO 3 2HG PRO 3 -18.012 16.857 -9.240 20 1HD PRO 3 1HD PRO 3 -16.404 19.030 -9.448 21 2HD PRO 3 2HD PRO 3 -17.199 18.631 -7.898 22 H ASP 4 H ASP 4 -12.618 15.886 -6.965 23 HA ASP 4 HA ASP 4 -11.460 15.344 -9.569 24 1HB ASP 4 1HB ASP 4 -9.594 16.544 -8.929 25 2HB ASP 4 2HB ASP 4 -10.903 17.610 -8.464 26 H TYR 5 H TYR 5 -9.222 14.224 -8.963 27 HA TYR 5 HA TYR 5 -9.655 12.063 -7.011 28 1HB TYR 5 1HB TYR 5 -8.814 10.582 -8.882 29 2HB TYR 5 2HB TYR 5 -10.457 11.157 -9.004 30 HD1 TYR 5 HD1 TYR 5 -7.052 11.371 -10.454 31 HD2 TYR 5 HD2 TYR 5 -11.137 12.716 -10.769 32 HE1 TYR 5 HE1 TYR 5 -6.600 12.218 -12.747 33 HE2 TYR 5 HE2 TYR 5 -10.696 13.575 -13.036 34 HH TYR 5 HH TYR 5 -9.096 13.853 -14.711 35 H SER 6 H SER 6 -8.018 14.328 -6.534 36 HA SER 6 HA SER 6 -5.237 13.737 -7.015 37 1HB SER 6 1HB SER 6 -6.506 15.558 -4.933 38 2HB SER 6 2HB SER 6 -4.827 15.587 -5.512 39 HG SER 6 HG SER 6 -7.233 16.250 -6.815 40 H ALA 7 H ALA 7 -6.046 11.453 -6.299 41 HA ALA 7 HA ALA 7 -6.100 10.710 -3.539 42 1HB ALA 7 1HB ALA 7 -5.293 9.045 -5.971 43 2HB ALA 7 2HB ALA 7 -5.831 8.410 -4.399 44 3HB ALA 7 3HB ALA 7 -6.964 9.310 -5.421 45 H ALA 8 H ALA 8 -4.470 9.031 -2.752 46 HA ALA 8 HA ALA 8 -2.335 10.237 -1.708 47 1HB ALA 8 1HB ALA 8 -1.448 8.020 -1.152 48 2HB ALA 8 2HB ALA 8 -3.202 8.096 -0.931 49 3HB ALA 8 3HB ALA 8 -2.518 7.276 -2.360 50 HA PRO 9 HA PRO 9 0.221 10.967 -5.241 51 1HB PRO 9 1HB PRO 9 2.559 11.871 -3.979 52 2HB PRO 9 2HB PRO 9 1.107 12.841 -4.369 53 1HG PRO 9 1HG PRO 9 1.825 11.515 -1.751 54 2HG PRO 9 2HG PRO 9 1.134 13.142 -2.026 55 1HD PRO 9 1HD PRO 9 -0.395 11.033 -1.271 56 2HD PRO 9 2HD PRO 9 -1.020 12.247 -2.432 57 H ARG 10 H ARG 10 1.824 10.110 -6.441 58 HA ARG 10 HA ARG 10 3.258 7.704 -5.488 59 1HB ARG 10 1HB ARG 10 2.562 6.724 -7.798 60 2HB ARG 10 2HB ARG 10 1.400 6.671 -6.480 61 1HG ARG 10 1HG ARG 10 0.086 8.436 -7.363 62 2HG ARG 10 2HG ARG 10 1.322 8.939 -8.514 63 1HD ARG 10 1HD ARG 10 -0.005 6.210 -8.675 64 2HD ARG 10 2HD ARG 10 -0.718 7.670 -9.385 65 HE ARG 10 HE ARG 10 2.018 7.381 -10.182 66 1HH1 ARG 10 1HH1 ARG 10 -1.258 6.252 -10.935 67 2HH1 ARG 10 2HH1 ARG 10 -0.941 5.907 -12.591 68 1HH2 ARG 10 1HH2 ARG 10 2.478 6.916 -12.421 69 2HH2 ARG 10 2HH2 ARG 10 1.249 6.295 -13.446 70 H GLY 11 H GLY 11 5.303 7.558 -6.389 71 1HA GLY 11 1HA GLY 11 7.119 7.999 -7.699 72 2HA GLY 11 2HA GLY 11 6.029 8.681 -8.912 73 H ARG 12 H ARG 12 5.608 10.365 -6.010 74 HA ARG 12 HA ARG 12 7.867 12.185 -6.238 75 1HB ARG 12 1HB ARG 12 4.980 13.141 -6.601 76 2HB ARG 12 2HB ARG 12 6.346 14.175 -6.164 77 1HG ARG 12 1HG ARG 12 7.467 13.541 -8.332 78 2HG ARG 12 2HG ARG 12 6.023 12.611 -8.756 79 1HD ARG 12 1HD ARG 12 5.840 14.702 -9.865 80 2HD ARG 12 2HD ARG 12 4.648 14.707 -8.573 81 HE ARG 12 HE ARG 12 7.189 16.227 -8.766 82 1HH1 ARG 12 1HH1 ARG 12 4.203 15.709 -6.912 83 2HH1 ARG 12 2HH1 ARG 12 4.315 17.178 -6.020 84 1HH2 ARG 12 1HH2 ARG 12 7.351 18.204 -7.583 85 2HH2 ARG 12 2HH2 ARG 12 6.167 18.628 -6.415 86 H PHE 13 H PHE 13 8.402 11.452 -4.275 87 HA PHE 13 HA PHE 13 8.178 10.683 -2.069 88 1HB PHE 13 1HB PHE 13 7.868 13.693 -2.096 89 2HB PHE 13 2HB PHE 13 8.446 12.737 -0.734 90 HD1 PHE 13 HD1 PHE 13 10.591 11.336 -1.019 91 HD2 PHE 13 HD2 PHE 13 9.380 14.391 -3.821 92 HE1 PHE 13 HE1 PHE 13 12.890 11.410 -1.944 93 HE2 PHE 13 HE2 PHE 13 11.690 14.453 -4.738 94 HZ PHE 13 HZ PHE 13 13.440 12.962 -3.802 95 H GLY 14 H GLY 14 6.154 9.427 -2.099 96 1HA GLY 14 1HA GLY 14 4.116 10.553 -0.372 97 2HA GLY 14 2HA GLY 14 3.612 10.224 -2.048 98 H ILE 15 H ILE 15 2.406 8.859 -0.048 99 HA ILE 15 HA ILE 15 3.521 6.077 -0.055 100 HB ILE 15 HB ILE 15 1.964 7.599 2.055 101 1HG1 ILE 15 1HG1 ILE 15 4.792 6.449 2.134 102 2HG1 ILE 15 2HG1 ILE 15 4.384 8.155 1.997 103 1HG2 ILE 15 1HG2 ILE 15 1.200 5.232 1.881 104 2HG2 ILE 15 2HG2 ILE 15 2.859 4.686 2.121 105 3HG2 ILE 15 3HG2 ILE 15 2.001 5.561 3.404 106 1HD1 ILE 15 1HD1 ILE 15 3.241 8.049 4.222 107 2HD1 ILE 15 2HD1 ILE 15 3.864 6.388 4.408 108 3HD1 ILE 15 3HD1 ILE 15 4.988 7.744 4.263 109 HA PRO 16 HA PRO 16 -0.493 6.073 -2.247 110 1HB PRO 16 1HB PRO 16 0.163 4.382 -4.288 111 2HB PRO 16 2HB PRO 16 0.610 6.112 -4.299 112 1HG PRO 16 1HG PRO 16 2.333 3.757 -3.468 113 2HG PRO 16 2HG PRO 16 2.752 5.088 -4.595 114 1HD PRO 16 1HD PRO 16 3.476 5.115 -1.957 115 2HD PRO 16 2HD PRO 16 3.058 6.610 -2.810 116 H PHE 17 H PHE 17 -1.391 3.577 -3.037 117 HA PHE 17 HA PHE 17 -1.819 2.140 -0.641 118 1HB PHE 17 1HB PHE 17 -2.987 0.552 -2.184 119 2HB PHE 17 2HB PHE 17 -3.456 2.223 -2.382 120 HD1 PHE 17 HD1 PHE 17 -1.427 -0.536 -3.926 121 HD2 PHE 17 HD2 PHE 17 -3.194 3.373 -4.478 122 HE1 PHE 17 HE1 PHE 17 -0.902 -0.632 -6.330 123 HE2 PHE 17 HE2 PHE 17 -2.664 3.260 -6.892 124 HZ PHE 17 HZ PHE 17 -1.511 1.258 -7.827 125 H PHE 18 H PHE 18 1.147 2.227 -1.467 126 HA PHE 18 HA PHE 18 1.951 -0.242 -2.555 127 1HB PHE 18 1HB PHE 18 4.148 0.297 -2.069 128 2HB PHE 18 2HB PHE 18 3.370 1.845 -2.260 129 HD1 PHE 18 HD1 PHE 18 3.590 3.532 -0.574 130 HD2 PHE 18 HD2 PHE 18 4.733 -0.545 0.240 131 HE1 PHE 18 HE1 PHE 18 4.905 4.270 1.398 132 HE2 PHE 18 HE2 PHE 18 5.920 0.196 2.281 133 HZ PHE 18 HZ PHE 18 6.016 2.610 2.856 134 HA PRO 19 HA PRO 19 2.434 -2.047 1.818 135 1HB PRO 19 1HB PRO 19 0.887 -1.267 3.942 136 2HB PRO 19 2HB PRO 19 2.436 -0.494 3.498 137 1HG PRO 19 1HG PRO 19 -0.362 0.392 2.718 138 2HG PRO 19 2HG PRO 19 0.941 1.376 3.468 139 1HD PRO 19 1HD PRO 19 0.533 1.413 0.836 140 2HD PRO 19 2HD PRO 19 2.193 1.403 1.482 141 H VAL 20 H VAL 20 -0.224 -1.803 -0.139 142 HA VAL 20 HA VAL 20 -2.000 -3.740 1.127 143 HB VAL 20 HB VAL 20 -1.609 -2.532 -1.660 144 1HG1 VAL 20 1HG1 VAL 20 -3.468 -4.821 -1.018 145 2HG1 VAL 20 2HG1 VAL 20 -3.663 -3.710 -2.417 146 3HG1 VAL 20 3HG1 VAL 20 -2.239 -4.701 -2.296 147 1HG2 VAL 20 1HG2 VAL 20 -3.850 -1.600 -1.266 148 2HG2 VAL 20 2HG2 VAL 20 -3.978 -2.476 0.271 149 3HG2 VAL 20 3HG2 VAL 20 -2.783 -1.172 0.075 150 H HIS 21 H HIS 21 0.106 -3.937 -1.703 151 HA HIS 21 HA HIS 21 -0.047 -6.647 -2.157 152 1HB HIS 21 1HB HIS 21 2.108 -4.604 -2.561 153 2HB HIS 21 2HB HIS 21 2.105 -6.149 -3.439 154 HD1 HIS 21 HD1 HIS 21 -0.329 -6.225 -5.160 155 HD2 HIS 21 HD2 HIS 21 1.042 -2.591 -3.503 156 HE1 HIS 21 HE1 HIS 21 -1.542 -4.358 -6.389 157 H LEU 22 H LEU 22 2.415 -4.920 -0.251 158 HA LEU 22 HA LEU 22 3.868 -7.251 0.547 159 1HB LEU 22 1HB LEU 22 3.661 -4.501 1.848 160 2HB LEU 22 2HB LEU 22 4.794 -5.755 2.285 161 HG LEU 22 HG LEU 22 6.148 -4.460 0.994 162 1HD1 LEU 22 1HD1 LEU 22 6.591 -5.491 -1.155 163 2HD1 LEU 22 2HD1 LEU 22 6.130 -6.758 -0.007 164 3HD1 LEU 22 3HD1 LEU 22 4.968 -6.189 -1.231 165 1HD2 LEU 22 1HD2 LEU 22 4.389 -2.856 0.318 166 2HD2 LEU 22 2HD2 LEU 22 5.553 -3.195 -0.968 167 3HD2 LEU 22 3HD2 LEU 22 3.944 -3.923 -1.033 168 H LYS 23 H LYS 23 1.195 -5.411 2.235 169 HA LYS 23 HA LYS 23 1.389 -7.165 4.537 170 1HB LYS 23 1HB LYS 23 0.427 -4.915 4.617 171 2HB LYS 23 2HB LYS 23 -0.917 -5.445 3.566 172 1HG LYS 23 1HG LYS 23 -1.806 -6.849 5.266 173 2HG LYS 23 2HG LYS 23 -0.327 -6.774 6.229 174 1HD LYS 23 1HD LYS 23 -2.146 -5.451 7.201 175 2HD LYS 23 2HD LYS 23 -0.736 -4.467 6.845 176 1HE LYS 23 1HE LYS 23 -3.099 -4.663 4.924 177 2HE LYS 23 2HE LYS 23 -3.118 -3.562 6.304 178 1HZ LYS 23 1HZ LYS 23 -1.145 -2.494 5.438 179 2HZ LYS 23 2HZ LYS 23 -1.112 -3.470 4.114 180 3HZ LYS 23 3HZ LYS 23 -2.365 -2.434 4.344 181 H ARG 24 H ARG 24 -0.195 -7.361 1.404 182 HA ARG 24 HA ARG 24 -1.838 -9.634 2.050 183 1HB ARG 24 1HB ARG 24 -2.387 -8.304 0.151 184 2HB ARG 24 2HB ARG 24 -0.813 -8.511 -0.575 185 1HG ARG 24 1HG ARG 24 -2.215 -11.102 -0.169 186 2HG ARG 24 2HG ARG 24 -3.131 -9.957 -1.123 187 1HD ARG 24 1HD ARG 24 -1.806 -11.307 -2.619 188 2HD ARG 24 2HD ARG 24 -1.273 -9.637 -2.680 189 HE ARG 24 HE ARG 24 0.766 -10.178 -1.731 190 1HH1 ARG 24 1HH1 ARG 24 -1.304 -13.045 -1.480 191 2HH1 ARG 24 2HH1 ARG 24 -0.025 -14.192 -1.553 192 1HH2 ARG 24 1HH2 ARG 24 2.517 -11.712 -1.892 193 2HH2 ARG 24 2HH2 ARG 24 2.211 -13.399 -1.735 194 H LEU 25 H LEU 25 1.590 -9.300 1.189 195 HA LEU 25 HA LEU 25 2.028 -12.133 0.784 196 1HB LEU 25 1HB LEU 25 3.542 -10.165 0.110 197 2HB LEU 25 2HB LEU 25 4.079 -10.106 1.780 198 HG LEU 25 HG LEU 25 4.239 -12.660 0.133 199 1HD1 LEU 25 1HD1 LEU 25 6.350 -10.477 0.398 200 2HD1 LEU 25 2HD1 LEU 25 6.573 -12.051 -0.387 201 3HD1 LEU 25 3HD1 LEU 25 5.445 -10.881 -1.079 202 1HD2 LEU 25 1HD2 LEU 25 6.148 -13.162 1.698 203 2HD2 LEU 25 2HD2 LEU 25 5.747 -11.702 2.620 204 3HD2 LEU 25 3HD2 LEU 25 4.609 -13.063 2.528 205 H LEU 26 H LEU 26 2.377 -9.902 3.553 206 HA LEU 26 HA LEU 26 3.107 -11.877 5.446 207 1HB LEU 26 1HB LEU 26 3.354 -9.459 5.831 208 2HB LEU 26 2HB LEU 26 1.597 -9.272 5.884 209 HG LEU 26 HG LEU 26 1.486 -10.691 7.920 210 1HD1 LEU 26 1HD1 LEU 26 4.540 -10.711 7.721 211 2HD1 LEU 26 2HD1 LEU 26 3.605 -11.210 9.147 212 3HD1 LEU 26 3HD1 LEU 26 3.457 -12.125 7.654 213 1HD2 LEU 26 1HD2 LEU 26 1.676 -8.247 8.100 214 2HD2 LEU 26 2HD2 LEU 26 2.490 -9.056 9.445 215 3HD2 LEU 26 3HD2 LEU 26 3.453 -8.374 8.118 216 H ILE 27 H ILE 27 -0.193 -10.685 4.632 217 HA ILE 27 HA ILE 27 -1.598 -12.298 6.489 218 HB ILE 27 HB ILE 27 -2.364 -11.067 3.820 219 1HG1 ILE 27 1HG1 ILE 27 -3.338 -10.406 6.640 220 2HG1 ILE 27 2HG1 ILE 27 -1.896 -9.670 5.965 221 1HG2 ILE 27 1HG2 ILE 27 -3.836 -13.027 4.073 222 2HG2 ILE 27 2HG2 ILE 27 -4.220 -12.554 5.736 223 3HG2 ILE 27 3HG2 ILE 27 -4.759 -11.563 4.364 224 1HD1 ILE 27 1HD1 ILE 27 -3.230 -8.734 4.082 225 2HD1 ILE 27 2HD1 ILE 27 -4.707 -9.393 4.825 226 3HD1 ILE 27 3HD1 ILE 27 -3.768 -8.166 5.678 227 H LEU 28 H LEU 28 -0.542 -13.045 3.103 228 HA LEU 28 HA LEU 28 -1.638 -15.708 3.117 229 1HB LEU 28 1HB LEU 28 -0.916 -14.293 1.157 230 2HB LEU 28 2HB LEU 28 0.748 -14.723 1.549 231 HG LEU 28 HG LEU 28 -0.264 -16.041 -0.207 232 1HD1 LEU 28 1HD1 LEU 28 0.596 -18.137 0.325 233 2HD1 LEU 28 2HD1 LEU 28 1.490 -17.016 1.393 234 3HD1 LEU 28 3HD1 LEU 28 0.164 -18.011 2.023 235 1HD2 LEU 28 1HD2 LEU 28 -2.032 -17.694 0.123 236 2HD2 LEU 28 2HD2 LEU 28 -2.085 -17.378 1.848 237 3HD2 LEU 28 3HD2 LEU 28 -2.642 -16.133 0.731 238 H LEU 29 H LEU 29 1.632 -14.534 3.914 239 HA LEU 29 HA LEU 29 2.728 -17.030 4.623 240 1HB LEU 29 1HB LEU 29 4.035 -14.937 4.435 241 2HB LEU 29 2HB LEU 29 3.225 -14.288 5.860 242 HG LEU 29 HG LEU 29 4.266 -16.057 7.273 243 1HD1 LEU 29 1HD1 LEU 29 6.171 -17.359 6.340 244 2HD1 LEU 29 2HD1 LEU 29 4.641 -17.829 5.606 245 3HD1 LEU 29 3HD1 LEU 29 5.767 -16.783 4.707 246 1HD2 LEU 29 1HD2 LEU 29 6.526 -15.094 7.219 247 2HD2 LEU 29 2HD2 LEU 29 6.210 -14.397 5.615 248 3HD2 LEU 29 3HD2 LEU 29 5.294 -13.841 7.037 249 H LEU 30 H LEU 30 0.661 -14.917 6.615 250 HA LEU 30 HA LEU 30 0.743 -16.618 8.953 251 1HB LEU 30 1HB LEU 30 0.167 -14.220 9.027 252 2HB LEU 30 2HB LEU 30 -1.241 -14.524 8.025 253 HG LEU 30 HG LEU 30 -2.234 -15.951 9.822 254 1HD1 LEU 30 1HD1 LEU 30 -0.213 -16.680 11.012 255 2HD1 LEU 30 2HD1 LEU 30 0.173 -14.999 11.450 256 3HD1 LEU 30 3HD1 LEU 30 -1.268 -15.802 12.116 257 1HD2 LEU 30 1HD2 LEU 30 -2.819 -13.580 9.607 258 2HD2 LEU 30 2HD2 LEU 30 -2.823 -14.088 11.302 259 3HD2 LEU 30 3HD2 LEU 30 -1.462 -13.131 10.671 260 H LEU 31 H LEU 31 -1.575 -16.206 6.258 261 HA LEU 31 HA LEU 31 -2.831 -18.786 6.874 262 1HB LEU 31 1HB LEU 31 -4.157 -16.951 7.864 263 2HB LEU 31 2HB LEU 31 -4.216 -16.146 6.296 264 HG LEU 31 HG LEU 31 -5.546 -18.029 5.368 265 1HD1 LEU 31 1HD1 LEU 31 -5.430 -19.145 8.207 266 2HD1 LEU 31 2HD1 LEU 31 -6.523 -19.717 6.927 267 3HD1 LEU 31 3HD1 LEU 31 -4.780 -19.915 6.742 268 1HD2 LEU 31 1HD2 LEU 31 -6.676 -16.891 7.957 269 2HD2 LEU 31 2HD2 LEU 31 -6.662 -16.073 6.379 270 3HD2 LEU 31 3HD2 LEU 31 -7.614 -17.549 6.599 271 1HN NH2 32 1HN NH2 32 -1.303 -19.447 5.234 272 2HN NH2 32 2HN NH2 32 -1.802 -19.299 3.564 Start of MODEL 19 1 1H SER 1 1H SER 1 -20.507 16.387 3.954 2 2H SER 1 2H SER 1 -21.419 16.478 5.329 3 3H SER 1 3H SER 1 -21.326 17.772 4.272 4 HA SER 1 HA SER 1 -19.923 18.059 6.271 5 1HB SER 1 1HB SER 1 -17.793 16.611 6.149 6 2HB SER 1 2HB SER 1 -19.276 15.752 6.585 7 HG SER 1 HG SER 1 -17.743 15.640 4.268 8 HA PRO 2 HA PRO 2 -17.089 20.057 3.114 9 1HB PRO 2 1HB PRO 2 -14.646 19.959 4.395 10 2HB PRO 2 2HB PRO 2 -15.880 21.207 4.752 11 1HG PRO 2 1HG PRO 2 -15.361 18.602 6.229 12 2HG PRO 2 2HG PRO 2 -15.510 20.251 6.921 13 1HD PRO 2 1HD PRO 2 -17.618 18.562 6.908 14 2HD PRO 2 2HD PRO 2 -17.849 20.291 6.552 15 HA PRO 3 HA PRO 3 -15.367 16.196 1.533 16 1HB PRO 3 1HB PRO 3 -13.255 16.950 -0.022 17 2HB PRO 3 2HB PRO 3 -14.936 17.390 -0.444 18 1HG PRO 3 1HG PRO 3 -12.890 19.075 1.041 19 2HG PRO 3 2HG PRO 3 -13.872 19.542 -0.386 20 1HD PRO 3 1HD PRO 3 -14.625 20.178 2.152 21 2HD PRO 3 2HD PRO 3 -15.836 19.733 0.915 22 H ASP 4 H ASP 4 -12.835 15.182 1.265 23 HA ASP 4 HA ASP 4 -11.778 15.146 3.965 24 1HB ASP 4 1HB ASP 4 -10.625 13.198 3.206 25 2HB ASP 4 2HB ASP 4 -12.271 13.044 2.594 26 H TYR 5 H TYR 5 -9.243 14.795 3.568 27 HA TYR 5 HA TYR 5 -8.109 17.138 2.169 28 1HB TYR 5 1HB TYR 5 -6.788 17.405 4.333 29 2HB TYR 5 2HB TYR 5 -8.459 17.912 4.334 30 HD1 TYR 5 HD1 TYR 5 -6.098 15.274 5.516 31 HD2 TYR 5 HD2 TYR 5 -10.101 16.867 5.762 32 HE1 TYR 5 HE1 TYR 5 -6.557 13.818 7.473 33 HE2 TYR 5 HE2 TYR 5 -10.565 15.430 7.712 34 HH TYR 5 HH TYR 5 -9.675 13.879 9.215 35 H SER 6 H SER 6 -8.040 14.373 1.237 36 HA SER 6 HA SER 6 -5.508 13.186 1.825 37 1HB SER 6 1HB SER 6 -7.341 12.813 -0.570 38 2HB SER 6 2HB SER 6 -5.989 11.757 -0.107 39 HG SER 6 HG SER 6 -8.441 12.245 1.154 40 H ALA 7 H ALA 7 -4.864 15.799 1.415 41 HA ALA 7 HA ALA 7 -3.714 16.328 -1.209 42 1HB ALA 7 1HB ALA 7 -4.406 18.134 0.322 43 2HB ALA 7 2HB ALA 7 -3.215 17.586 1.528 44 3HB ALA 7 3HB ALA 7 -2.673 18.236 -0.033 45 H ALA 8 H ALA 8 -2.866 14.091 1.131 46 HA ALA 8 HA ALA 8 -0.216 14.344 1.698 47 1HB ALA 8 1HB ALA 8 -1.714 12.591 2.612 48 2HB ALA 8 2HB ALA 8 -1.681 11.744 1.046 49 3HB ALA 8 3HB ALA 8 -0.201 11.886 2.011 50 HA PRO 9 HA PRO 9 1.970 14.252 -2.058 51 1HB PRO 9 1HB PRO 9 4.432 13.179 -1.385 52 2HB PRO 9 2HB PRO 9 3.896 14.832 -0.962 53 1HG PRO 9 1HG PRO 9 3.782 12.335 0.752 54 2HG PRO 9 2HG PRO 9 4.370 13.968 1.208 55 1HD PRO 9 1HD PRO 9 1.868 13.148 1.844 56 2HD PRO 9 2HD PRO 9 2.158 14.831 1.307 57 H ARG 10 H ARG 10 2.169 13.005 -3.842 58 HA ARG 10 HA ARG 10 2.842 10.242 -3.842 59 1HB ARG 10 1HB ARG 10 0.737 9.461 -4.946 60 2HB ARG 10 2HB ARG 10 0.574 9.837 -3.239 61 1HG ARG 10 1HG ARG 10 -0.438 12.089 -3.909 62 2HG ARG 10 2HG ARG 10 -0.454 11.501 -5.582 63 1HD ARG 10 1HD ARG 10 -1.830 9.560 -4.879 64 2HD ARG 10 2HD ARG 10 -1.762 10.094 -3.199 65 HE ARG 10 HE ARG 10 -3.518 11.025 -5.285 66 1HH1 ARG 10 1HH1 ARG 10 -1.888 12.334 -2.312 67 2HH1 ARG 10 2HH1 ARG 10 -3.349 13.068 -1.791 68 1HH2 ARG 10 1HH2 ARG 10 -5.408 12.222 -4.452 69 2HH2 ARG 10 2HH2 ARG 10 -5.202 13.100 -2.972 70 H GLY 11 H GLY 11 3.313 9.605 -6.076 71 1HA GLY 11 1HA GLY 11 4.082 9.993 -8.195 72 2HA GLY 11 2HA GLY 11 2.984 11.375 -8.315 73 H ARG 12 H ARG 12 4.940 11.809 -5.605 74 HA ARG 12 HA ARG 12 7.406 12.746 -6.580 75 1HB ARG 12 1HB ARG 12 5.254 14.729 -5.647 76 2HB ARG 12 2HB ARG 12 6.979 15.013 -5.397 77 1HG ARG 12 1HG ARG 12 7.374 14.884 -7.844 78 2HG ARG 12 2HG ARG 12 5.629 14.681 -8.104 79 1HD ARG 12 1HD ARG 12 5.157 16.877 -7.169 80 2HD ARG 12 2HD ARG 12 6.835 17.064 -6.657 81 HE ARG 12 HE ARG 12 7.416 17.782 -8.693 82 1HH1 ARG 12 1HH1 ARG 12 4.355 16.062 -9.129 83 2HH1 ARG 12 2HH1 ARG 12 4.112 16.560 -10.763 84 1HH2 ARG 12 1HH2 ARG 12 7.141 18.451 -10.881 85 2HH2 ARG 12 2HH2 ARG 12 5.771 17.954 -11.790 86 H PHE 13 H PHE 13 8.366 11.703 -5.020 87 HA PHE 13 HA PHE 13 8.647 10.347 -3.097 88 1HB PHE 13 1HB PHE 13 8.808 13.253 -2.277 89 2HB PHE 13 2HB PHE 13 9.599 11.916 -1.440 90 HD1 PHE 13 HD1 PHE 13 11.258 10.448 -2.888 91 HD2 PHE 13 HD2 PHE 13 9.974 14.432 -3.953 92 HE1 PHE 13 HE1 PHE 13 13.200 10.675 -4.412 93 HE2 PHE 13 HE2 PHE 13 11.926 14.646 -5.471 94 HZ PHE 13 HZ PHE 13 13.533 12.767 -5.707 95 H GLY 14 H GLY 14 6.480 9.350 -2.828 96 1HA GLY 14 1HA GLY 14 5.090 10.339 -0.446 97 2HA GLY 14 2HA GLY 14 4.218 10.388 -1.984 98 H ILE 15 H ILE 15 2.934 8.999 -0.351 99 HA ILE 15 HA ILE 15 3.739 6.113 -0.323 100 HB ILE 15 HB ILE 15 2.016 7.836 1.475 101 1HG1 ILE 15 1HG1 ILE 15 3.838 6.568 3.103 102 2HG1 ILE 15 2HG1 ILE 15 4.798 6.738 1.641 103 1HG2 ILE 15 1HG2 ILE 15 0.844 5.760 1.384 104 2HG2 ILE 15 2HG2 ILE 15 2.324 4.820 1.554 105 3HG2 ILE 15 3HG2 ILE 15 1.719 5.806 2.904 106 1HD1 ILE 15 1HD1 ILE 15 5.110 8.624 3.197 107 2HD1 ILE 15 2HD1 ILE 15 4.388 9.206 1.689 108 3HD1 ILE 15 3HD1 ILE 15 3.376 8.991 3.136 109 HA PRO 16 HA PRO 16 0.071 5.923 -3.015 110 1HB PRO 16 1HB PRO 16 0.839 3.801 -4.574 111 2HB PRO 16 2HB PRO 16 1.445 5.457 -4.865 112 1HG PRO 16 1HG PRO 16 2.806 3.224 -3.336 113 2HG PRO 16 2HG PRO 16 3.499 4.262 -4.621 114 1HD PRO 16 1HD PRO 16 3.889 4.802 -1.979 115 2HD PRO 16 2HD PRO 16 3.669 6.110 -3.169 116 H PHE 17 H PHE 17 -0.990 3.360 -3.421 117 HA PHE 17 HA PHE 17 -1.726 2.446 -0.823 118 1HB PHE 17 1HB PHE 17 -2.934 0.698 -2.127 119 2HB PHE 17 2HB PHE 17 -3.231 2.322 -2.697 120 HD1 PHE 17 HD1 PHE 17 -2.804 2.941 -4.973 121 HD2 PHE 17 HD2 PHE 17 -1.283 -0.812 -3.459 122 HE1 PHE 17 HE1 PHE 17 -2.112 2.283 -7.259 123 HE2 PHE 17 HE2 PHE 17 -0.575 -1.438 -5.745 124 HZ PHE 17 HZ PHE 17 -0.990 0.101 -7.645 125 H PHE 18 H PHE 18 1.273 2.176 -1.458 126 HA PHE 18 HA PHE 18 2.025 -0.415 -2.119 127 1HB PHE 18 1HB PHE 18 4.190 0.075 -1.467 128 2HB PHE 18 2HB PHE 18 3.520 1.623 -1.899 129 HD1 PHE 18 HD1 PHE 18 3.460 3.465 -0.306 130 HD2 PHE 18 HD2 PHE 18 4.655 -0.506 0.884 131 HE1 PHE 18 HE1 PHE 18 4.525 4.371 1.755 132 HE2 PHE 18 HE2 PHE 18 5.617 0.405 2.973 133 HZ PHE 18 HZ PHE 18 5.557 2.851 3.404 134 HA PRO 19 HA PRO 19 2.231 -1.754 2.439 135 1HB PRO 19 1HB PRO 19 0.375 -0.889 4.280 136 2HB PRO 19 2HB PRO 19 1.973 -0.128 4.013 137 1HG PRO 19 1HG PRO 19 -0.695 0.684 2.812 138 2HG PRO 19 2HG PRO 19 0.511 1.728 3.638 139 1HD PRO 19 1HD PRO 19 0.453 1.596 0.983 140 2HD PRO 19 2HD PRO 19 2.018 1.570 1.833 141 H VAL 20 H VAL 20 -0.773 -1.331 0.658 142 HA VAL 20 HA VAL 20 -2.386 -3.397 1.775 143 HB VAL 20 HB VAL 20 -1.978 -2.224 -1.008 144 1HG1 VAL 20 1HG1 VAL 20 -2.648 -4.452 -1.522 145 2HG1 VAL 20 2HG1 VAL 20 -3.978 -4.374 -0.354 146 3HG1 VAL 20 3HG1 VAL 20 -3.973 -3.347 -1.824 147 1HG2 VAL 20 1HG2 VAL 20 -3.088 -0.783 0.681 148 2HG2 VAL 20 2HG2 VAL 20 -4.187 -1.215 -0.633 149 3HG2 VAL 20 3HG2 VAL 20 -4.321 -2.039 0.935 150 H HIS 21 H HIS 21 0.020 -3.500 -0.845 151 HA HIS 21 HA HIS 21 -0.284 -6.253 -1.446 152 1HB HIS 21 1HB HIS 21 1.695 -4.053 -1.899 153 2HB HIS 21 2HB HIS 21 2.142 -5.693 -2.393 154 HD1 HIS 21 HD1 HIS 21 -1.495 -4.482 -3.009 155 HD2 HIS 21 HD2 HIS 21 2.259 -4.764 -4.920 156 HE1 HIS 21 HE1 HIS 21 -1.899 -4.041 -5.477 157 H LEU 22 H LEU 22 1.840 -4.598 0.845 158 HA LEU 22 HA LEU 22 3.325 -7.003 1.560 159 1HB LEU 22 1HB LEU 22 3.131 -4.237 2.817 160 2HB LEU 22 2HB LEU 22 4.140 -5.534 3.415 161 HG LEU 22 HG LEU 22 5.664 -4.294 2.233 162 1HD1 LEU 22 1HD1 LEU 22 5.722 -6.682 1.450 163 2HD1 LEU 22 2HD1 LEU 22 4.766 -6.199 0.025 164 3HD1 LEU 22 3HD1 LEU 22 6.379 -5.525 0.281 165 1HD2 LEU 22 1HD2 LEU 22 4.041 -2.750 1.181 166 2HD2 LEU 22 2HD2 LEU 22 5.363 -3.212 0.101 167 3HD2 LEU 22 3HD2 LEU 22 3.763 -3.934 -0.115 168 H LYS 23 H LYS 23 0.643 -5.114 3.110 169 HA LYS 23 HA LYS 23 0.449 -6.811 5.390 170 1HB LYS 23 1HB LYS 23 -0.707 -4.625 5.191 171 2HB LYS 23 2HB LYS 23 -1.662 -5.236 3.850 172 1HG LYS 23 1HG LYS 23 -3.063 -5.148 5.722 173 2HG LYS 23 2HG LYS 23 -2.801 -6.847 5.393 174 1HD LYS 23 1HD LYS 23 -1.193 -5.348 7.512 175 2HD LYS 23 2HD LYS 23 -2.820 -5.961 7.829 176 1HE LYS 23 1HE LYS 23 -2.048 -8.257 7.132 177 2HE LYS 23 2HE LYS 23 -0.398 -7.639 7.062 178 1HZ LYS 23 1HZ LYS 23 -0.835 -8.667 9.181 179 2HZ LYS 23 2HZ LYS 23 -0.613 -7.059 9.429 180 3HZ LYS 23 3HZ LYS 23 -2.128 -7.701 9.466 181 H ARG 24 H ARG 24 -0.734 -7.081 2.077 182 HA ARG 24 HA ARG 24 -2.229 -9.514 2.457 183 1HB ARG 24 1HB ARG 24 -2.733 -8.061 0.628 184 2HB ARG 24 2HB ARG 24 -1.104 -8.102 0.016 185 1HG ARG 24 1HG ARG 24 -3.038 -10.464 0.021 186 2HG ARG 24 2HG ARG 24 -2.782 -9.358 -1.316 187 1HD ARG 24 1HD ARG 24 -0.982 -11.556 -0.344 188 2HD ARG 24 2HD ARG 24 -1.557 -11.193 -1.965 189 HE ARG 24 HE ARG 24 0.160 -9.109 -0.888 190 1HH1 ARG 24 1HH1 ARG 24 0.290 -12.253 -2.524 191 2HH1 ARG 24 2HH1 ARG 24 1.915 -12.069 -3.060 192 1HH2 ARG 24 1HH2 ARG 24 2.251 -8.852 -1.501 193 2HH2 ARG 24 2HH2 ARG 24 3.075 -10.005 -2.508 194 H LEU 25 H LEU 25 1.194 -8.844 1.612 195 HA LEU 25 HA LEU 25 1.877 -11.539 1.009 196 1HB LEU 25 1HB LEU 25 3.310 -9.483 0.599 197 2HB LEU 25 2HB LEU 25 3.637 -9.414 2.316 198 HG LEU 25 HG LEU 25 4.722 -11.622 2.272 199 1HD1 LEU 25 1HD1 LEU 25 5.324 -12.654 0.085 200 2HD1 LEU 25 2HD1 LEU 25 3.599 -12.737 0.400 201 3HD1 LEU 25 3HD1 LEU 25 4.237 -11.523 -0.746 202 1HD2 LEU 25 1HD2 LEU 25 5.799 -9.661 0.194 203 2HD2 LEU 25 2HD2 LEU 25 6.044 -9.570 1.954 204 3HD2 LEU 25 3HD2 LEU 25 6.733 -10.913 1.041 205 H LEU 26 H LEU 26 1.960 -9.676 3.994 206 HA LEU 26 HA LEU 26 2.851 -11.717 5.766 207 1HB LEU 26 1HB LEU 26 2.777 -9.380 6.359 208 2HB LEU 26 2HB LEU 26 1.023 -9.326 6.273 209 HG LEU 26 HG LEU 26 2.467 -11.168 8.210 210 1HD1 LEU 26 1HD1 LEU 26 1.656 -8.250 8.641 211 2HD1 LEU 26 2HD1 LEU 26 2.243 -9.366 9.911 212 3HD1 LEU 26 3HD1 LEU 26 3.302 -8.901 8.590 213 1HD2 LEU 26 1HD2 LEU 26 0.217 -11.786 8.316 214 2HD2 LEU 26 2HD2 LEU 26 0.297 -10.605 9.589 215 3HD2 LEU 26 3HD2 LEU 26 -0.384 -10.163 7.984 216 H ILE 27 H ILE 27 -0.518 -10.792 4.969 217 HA ILE 27 HA ILE 27 -1.772 -12.827 6.510 218 HB ILE 27 HB ILE 27 -2.676 -11.317 4.034 219 1HG1 ILE 27 1HG1 ILE 27 -3.673 -11.132 6.918 220 2HG1 ILE 27 2HG1 ILE 27 -2.310 -10.188 6.348 221 1HG2 ILE 27 1HG2 ILE 27 -4.998 -12.121 4.517 222 2HG2 ILE 27 2HG2 ILE 27 -3.937 -13.436 4.039 223 3HG2 ILE 27 3HG2 ILE 27 -4.343 -13.221 5.749 224 1HD1 ILE 27 1HD1 ILE 27 -3.753 -9.153 4.587 225 2HD1 ILE 27 2HD1 ILE 27 -5.151 -10.006 5.281 226 3HD1 ILE 27 3HD1 ILE 27 -4.279 -8.810 6.248 227 H LEU 28 H LEU 28 -0.667 -12.926 3.077 228 HA LEU 28 HA LEU 28 -1.388 -15.651 2.600 229 1HB LEU 28 1HB LEU 28 -0.749 -13.859 0.955 230 2HB LEU 28 2HB LEU 28 0.934 -14.154 1.386 231 HG LEU 28 HG LEU 28 0.187 -15.269 -0.634 232 1HD1 LEU 28 1HD1 LEU 28 1.289 -17.294 -0.376 233 2HD1 LEU 28 2HD1 LEU 28 1.964 -16.274 0.927 234 3HD1 LEU 28 3HD1 LEU 28 0.747 -17.518 1.280 235 1HD2 LEU 28 1HD2 LEU 28 -1.550 -17.128 1.057 236 2HD2 LEU 28 2HD2 LEU 28 -2.200 -15.800 0.095 237 3HD2 LEU 28 3HD2 LEU 28 -1.356 -17.159 -0.688 238 H LEU 29 H LEU 29 1.728 -14.338 3.790 239 HA LEU 29 HA LEU 29 2.986 -16.838 4.121 240 1HB LEU 29 1HB LEU 29 4.125 -14.696 4.295 241 2HB LEU 29 2HB LEU 29 3.289 -14.294 5.789 242 HG LEU 29 HG LEU 29 4.908 -16.849 5.719 243 1HD1 LEU 29 1HD1 LEU 29 6.133 -14.069 5.978 244 2HD1 LEU 29 2HD1 LEU 29 6.966 -15.613 6.270 245 3HD1 LEU 29 3HD1 LEU 29 6.397 -15.220 4.645 246 1HD2 LEU 29 1HD2 LEU 29 4.530 -14.676 7.853 247 2HD2 LEU 29 2HD2 LEU 29 3.686 -16.236 7.816 248 3HD2 LEU 29 3HD2 LEU 29 5.425 -16.199 8.056 249 H LEU 30 H LEU 30 0.646 -15.277 6.299 250 HA LEU 30 HA LEU 30 0.845 -17.343 8.330 251 1HB LEU 30 1HB LEU 30 0.023 -15.045 8.766 252 2HB LEU 30 2HB LEU 30 -1.359 -15.352 7.731 253 HG LEU 30 HG LEU 30 -2.181 -17.115 9.257 254 1HD1 LEU 30 1HD1 LEU 30 -0.104 -17.925 10.269 255 2HD1 LEU 30 2HD1 LEU 30 0.210 -16.333 10.998 256 3HD1 LEU 30 3HD1 LEU 30 -1.167 -17.325 11.535 257 1HD2 LEU 30 1HD2 LEU 30 -2.860 -15.624 11.079 258 2HD2 LEU 30 2HD2 LEU 30 -1.574 -14.474 10.648 259 3HD2 LEU 30 3HD2 LEU 30 -2.922 -14.785 9.522 260 H LEU 31 H LEU 31 -1.372 -16.706 5.606 261 HA LEU 31 HA LEU 31 -2.359 -19.468 5.708 262 1HB LEU 31 1HB LEU 31 -3.946 -17.989 6.919 263 2HB LEU 31 2HB LEU 31 -4.046 -16.951 5.494 264 HG LEU 31 HG LEU 31 -5.018 -18.863 4.197 265 1HD1 LEU 31 1HD1 LEU 31 -4.134 -20.794 5.433 266 2HD1 LEU 31 2HD1 LEU 31 -5.006 -20.290 6.896 267 3HD1 LEU 31 3HD1 LEU 31 -5.896 -20.831 5.457 268 1HD2 LEU 31 1HD2 LEU 31 -6.496 -18.170 6.769 269 2HD2 LEU 31 2HD2 LEU 31 -6.465 -17.194 5.282 270 3HD2 LEU 31 3HD2 LEU 31 -7.228 -18.790 5.272 271 1HN NH2 32 1HN NH2 32 -0.770 -19.726 4.050 272 2HN NH2 32 2HN NH2 32 -1.196 -19.283 2.411 Start of MODEL 20 1 1H SER 1 1H SER 1 -20.316 3.533 2.651 2 2H SER 1 2H SER 1 -18.966 2.970 3.395 3 3H SER 1 3H SER 1 -19.946 4.021 4.208 4 HA SER 1 HA SER 1 -19.353 5.780 2.720 5 1HB SER 1 1HB SER 1 -16.831 5.757 3.205 6 2HB SER 1 2HB SER 1 -17.866 5.456 4.608 7 HG SER 1 HG SER 1 -16.145 3.762 3.241 8 HA PRO 2 HA PRO 2 -17.278 4.272 -1.193 9 1HB PRO 2 1HB PRO 2 -15.275 6.130 -1.531 10 2HB PRO 2 2HB PRO 2 -16.979 6.473 -1.959 11 1HG PRO 2 1HG PRO 2 -15.505 7.175 0.605 12 2HG PRO 2 2HG PRO 2 -16.477 8.263 -0.439 13 1HD PRO 2 1HD PRO 2 -17.545 7.118 1.771 14 2HD PRO 2 2HD PRO 2 -18.508 7.289 0.280 15 HA PRO 3 HA PRO 3 -13.746 2.304 0.866 16 1HB PRO 3 1HB PRO 3 -12.020 1.695 -1.150 17 2HB PRO 3 2HB PRO 3 -13.646 0.952 -1.075 18 1HG PRO 3 1HG PRO 3 -12.796 3.388 -2.684 19 2HG PRO 3 2HG PRO 3 -13.656 1.927 -3.270 20 1HD PRO 3 1HD PRO 3 -14.979 4.200 -2.563 21 2HD PRO 3 2HD PRO 3 -15.672 2.587 -2.233 22 H ASP 4 H ASP 4 -10.901 2.695 0.367 23 HA ASP 4 HA ASP 4 -10.611 5.438 1.235 24 1HB ASP 4 1HB ASP 4 -8.436 4.856 1.823 25 2HB ASP 4 2HB ASP 4 -9.346 3.419 2.279 26 H TYR 5 H TYR 5 -8.868 6.467 0.092 27 HA TYR 5 HA TYR 5 -8.899 6.170 -2.862 28 1HB TYR 5 1HB TYR 5 -9.113 8.733 -2.777 29 2HB TYR 5 2HB TYR 5 -10.534 7.752 -2.504 30 HD1 TYR 5 HD1 TYR 5 -11.676 7.712 -0.350 31 HD2 TYR 5 HD2 TYR 5 -8.048 9.989 -0.898 32 HE1 TYR 5 HE1 TYR 5 -12.109 8.908 1.775 33 HE2 TYR 5 HE2 TYR 5 -8.477 11.190 1.220 34 HH TYR 5 HH TYR 5 -9.955 11.477 3.014 35 H SER 6 H SER 6 -6.810 5.322 -0.976 36 HA SER 6 HA SER 6 -4.738 7.289 -0.859 37 1HB SER 6 1HB SER 6 -4.434 4.295 -0.584 38 2HB SER 6 2HB SER 6 -3.414 5.567 0.114 39 HG SER 6 HG SER 6 -6.001 4.693 0.757 40 H ALA 7 H ALA 7 -5.624 6.991 -3.607 41 HA ALA 7 HA ALA 7 -3.508 5.634 -5.139 42 1HB ALA 7 1HB ALA 7 -5.748 7.515 -6.015 43 2HB ALA 7 2HB ALA 7 -4.721 6.532 -7.080 44 3HB ALA 7 3HB ALA 7 -5.852 5.737 -5.971 45 H ALA 8 H ALA 8 -2.650 7.548 -3.199 46 HA ALA 8 HA ALA 8 -2.280 10.205 -3.897 47 1HB ALA 8 1HB ALA 8 -0.428 8.397 -2.285 48 2HB ALA 8 2HB ALA 8 -0.621 10.129 -2.058 49 3HB ALA 8 3HB ALA 8 -1.960 9.051 -1.659 50 HA PRO 9 HA PRO 9 1.127 10.458 -6.770 51 1HB PRO 9 1HB PRO 9 2.980 12.150 -5.504 52 2HB PRO 9 2HB PRO 9 1.548 12.673 -6.441 53 1HG PRO 9 1HG PRO 9 1.796 12.316 -3.443 54 2HG PRO 9 2HG PRO 9 1.056 13.677 -4.347 55 1HD PRO 9 1HD PRO 9 -0.507 11.776 -3.313 56 2HD PRO 9 2HD PRO 9 -0.826 12.348 -4.965 57 H ARG 10 H ARG 10 3.451 9.838 -7.065 58 HA ARG 10 HA ARG 10 4.666 8.249 -4.971 59 1HB ARG 10 1HB ARG 10 4.457 6.112 -6.175 60 2HB ARG 10 2HB ARG 10 2.891 6.746 -5.713 61 1HG ARG 10 1HG ARG 10 3.200 7.740 -8.336 62 2HG ARG 10 2HG ARG 10 4.006 6.180 -8.389 63 1HD ARG 10 1HD ARG 10 1.817 5.639 -8.973 64 2HD ARG 10 2HD ARG 10 1.847 5.243 -7.264 65 HE ARG 10 HE ARG 10 0.534 7.184 -6.760 66 1HH1 ARG 10 1HH1 ARG 10 1.086 6.962 -10.262 67 2HH1 ARG 10 2HH1 ARG 10 -0.305 7.901 -10.671 68 1HH2 ARG 10 1HH2 ARG 10 -1.362 8.310 -7.297 69 2HH2 ARG 10 2HH2 ARG 10 -1.726 8.717 -8.917 70 H GLY 11 H GLY 11 6.804 7.598 -5.642 71 1HA GLY 11 1HA GLY 11 8.808 7.872 -6.688 72 2HA GLY 11 2HA GLY 11 7.950 8.149 -8.211 73 H ARG 12 H ARG 12 6.815 10.402 -6.045 74 HA ARG 12 HA ARG 12 8.895 12.351 -5.931 75 1HB ARG 12 1HB ARG 12 6.446 12.847 -7.715 76 2HB ARG 12 2HB ARG 12 7.410 14.129 -6.970 77 1HG ARG 12 1HG ARG 12 9.455 13.136 -8.134 78 2HG ARG 12 2HG ARG 12 8.329 12.120 -9.059 79 1HD ARG 12 1HD ARG 12 7.213 14.137 -9.938 80 2HD ARG 12 2HD ARG 12 8.299 15.163 -8.974 81 HE ARG 12 HE ARG 12 9.794 13.360 -10.602 82 1HH1 ARG 12 1HH1 ARG 12 7.927 16.358 -10.860 83 2HH1 ARG 12 2HH1 ARG 12 8.782 16.977 -12.221 84 1HH2 ARG 12 1HH2 ARG 12 10.970 14.163 -12.436 85 2HH2 ARG 12 2HH2 ARG 12 10.567 15.673 -13.145 86 H PHE 13 H PHE 13 8.588 12.432 -3.861 87 HA PHE 13 HA PHE 13 7.610 12.164 -1.769 88 1HB PHE 13 1HB PHE 13 6.784 14.851 -2.870 89 2HB PHE 13 2HB PHE 13 6.907 14.445 -1.157 90 HD1 PHE 13 HD1 PHE 13 8.667 15.800 -3.952 91 HD2 PHE 13 HD2 PHE 13 9.248 13.494 -0.345 92 HE1 PHE 13 HE1 PHE 13 11.091 16.337 -3.985 93 HE2 PHE 13 HE2 PHE 13 11.665 14.033 -0.398 94 HZ PHE 13 HZ PHE 13 12.590 15.451 -2.214 95 H GLY 14 H GLY 14 6.058 10.367 -2.175 96 1HA GLY 14 1HA GLY 14 3.606 11.067 -0.993 97 2HA GLY 14 2HA GLY 14 3.349 10.721 -2.711 98 H ILE 15 H ILE 15 2.286 9.140 -0.664 99 HA ILE 15 HA ILE 15 3.645 6.499 -0.810 100 HB ILE 15 HB ILE 15 2.832 8.148 1.588 101 1HG1 ILE 15 1HG1 ILE 15 5.177 6.263 1.072 102 2HG1 ILE 15 2HG1 ILE 15 5.204 7.998 0.781 103 1HG2 ILE 15 1HG2 ILE 15 1.464 6.274 2.019 104 2HG2 ILE 15 2HG2 ILE 15 2.656 5.130 1.422 105 3HG2 ILE 15 3HG2 ILE 15 2.909 5.985 2.962 106 1HD1 ILE 15 1HD1 ILE 15 4.728 8.400 3.209 107 2HD1 ILE 15 2HD1 ILE 15 4.952 6.654 3.488 108 3HD1 ILE 15 3HD1 ILE 15 6.287 7.629 2.860 109 HA PRO 16 HA PRO 16 -0.739 6.185 -1.988 110 1HB PRO 16 1HB PRO 16 -0.534 4.251 -3.892 111 2HB PRO 16 2HB PRO 16 0.008 5.921 -4.217 112 1HG PRO 16 1HG PRO 16 1.708 3.562 -3.332 113 2HG PRO 16 2HG PRO 16 1.996 4.664 -4.715 114 1HD PRO 16 1HD PRO 16 3.163 5.018 -2.256 115 2HD PRO 16 2HD PRO 16 2.711 6.406 -3.292 116 H PHE 17 H PHE 17 -1.887 3.795 -2.232 117 HA PHE 17 HA PHE 17 -1.918 2.422 0.194 118 1HB PHE 17 1HB PHE 17 -3.280 0.758 -1.134 119 2HB PHE 17 2HB PHE 17 -3.784 2.409 -1.306 120 HD1 PHE 17 HD1 PHE 17 -4.055 3.374 -3.443 121 HD2 PHE 17 HD2 PHE 17 -1.749 -0.258 -3.057 122 HE1 PHE 17 HE1 PHE 17 -3.863 3.222 -5.906 123 HE2 PHE 17 HE2 PHE 17 -1.544 -0.388 -5.503 124 HZ PHE 17 HZ PHE 17 -2.594 1.349 -6.947 125 H PHE 18 H PHE 18 0.908 2.369 -1.032 126 HA PHE 18 HA PHE 18 1.551 -0.082 -2.182 127 1HB PHE 18 1HB PHE 18 3.802 0.394 -1.873 128 2HB PHE 18 2HB PHE 18 3.048 1.965 -1.937 129 HD1 PHE 18 HD1 PHE 18 3.273 3.537 -0.090 130 HD2 PHE 18 HD2 PHE 18 4.629 -0.540 0.275 131 HE1 PHE 18 HE1 PHE 18 4.561 4.115 1.981 132 HE2 PHE 18 HE2 PHE 18 5.853 0.043 2.344 133 HZ PHE 18 HZ PHE 18 5.815 2.377 3.195 134 HA PRO 19 HA PRO 19 2.478 -2.005 2.111 135 1HB PRO 19 1HB PRO 19 0.844 -1.449 4.262 136 2HB PRO 19 2HB PRO 19 2.399 -0.633 3.915 137 1HG PRO 19 1HG PRO 19 -0.391 0.290 3.154 138 2HG PRO 19 2HG PRO 19 0.903 1.230 3.973 139 1HD PRO 19 1HD PRO 19 0.555 1.487 1.369 140 2HD PRO 19 2HD PRO 19 2.207 1.315 2.004 141 H VAL 20 H VAL 20 -0.657 -1.540 0.648 142 HA VAL 20 HA VAL 20 -2.177 -3.669 1.684 143 HB VAL 20 HB VAL 20 -1.836 -2.344 -1.045 144 1HG1 VAL 20 1HG1 VAL 20 -2.450 -4.496 -1.778 145 2HG1 VAL 20 2HG1 VAL 20 -3.674 -4.678 -0.500 146 3HG1 VAL 20 3HG1 VAL 20 -3.879 -3.502 -1.846 147 1HG2 VAL 20 1HG2 VAL 20 -4.089 -1.470 -0.562 148 2HG2 VAL 20 2HG2 VAL 20 -4.183 -2.445 0.916 149 3HG2 VAL 20 3HG2 VAL 20 -3.015 -1.112 0.793 150 H HIS 21 H HIS 21 -0.007 -3.774 -1.097 151 HA HIS 21 HA HIS 21 -0.278 -6.485 -1.698 152 1HB HIS 21 1HB HIS 21 1.898 -4.444 -2.008 153 2HB HIS 21 2HB HIS 21 1.936 -5.967 -2.910 154 HD1 HIS 21 HD1 HIS 21 -0.659 -6.001 -4.545 155 HD2 HIS 21 HD2 HIS 21 1.068 -2.427 -3.110 156 HE1 HIS 21 HE1 HIS 21 -1.734 -4.100 -5.846 157 H LEU 22 H LEU 22 2.073 -4.857 0.341 158 HA LEU 22 HA LEU 22 3.619 -7.172 1.070 159 1HB LEU 22 1HB LEU 22 3.331 -4.426 2.372 160 2HB LEU 22 2HB LEU 22 4.472 -5.650 2.866 161 HG LEU 22 HG LEU 22 5.835 -4.342 1.607 162 1HD1 LEU 22 1HD1 LEU 22 5.910 -6.662 0.667 163 2HD1 LEU 22 2HD1 LEU 22 4.792 -6.147 -0.621 164 3HD1 LEU 22 3HD1 LEU 22 6.394 -5.410 -0.491 165 1HD2 LEU 22 1HD2 LEU 22 4.111 -2.781 0.807 166 2HD2 LEU 22 2HD2 LEU 22 5.302 -3.164 -0.438 167 3HD2 LEU 22 3HD2 LEU 22 3.695 -3.898 -0.510 168 H LYS 23 H LYS 23 0.964 -5.396 2.834 169 HA LYS 23 HA LYS 23 1.027 -7.226 5.048 170 1HB LYS 23 1HB LYS 23 -0.070 -4.990 5.102 171 2HB LYS 23 2HB LYS 23 -1.306 -5.571 3.973 172 1HG LYS 23 1HG LYS 23 -2.069 -7.234 5.611 173 2HG LYS 23 2HG LYS 23 -0.751 -6.803 6.715 174 1HD LYS 23 1HD LYS 23 -1.713 -4.551 7.019 175 2HD LYS 23 2HD LYS 23 -2.945 -4.895 5.803 176 1HE LYS 23 1HE LYS 23 -3.957 -5.112 7.979 177 2HE LYS 23 2HE LYS 23 -3.886 -6.698 7.210 178 1HZ LYS 23 1HZ LYS 23 -3.244 -6.800 9.521 179 2HZ LYS 23 2HZ LYS 23 -1.958 -7.205 8.587 180 3HZ LYS 23 3HZ LYS 23 -2.031 -5.720 9.301 181 H ARG 24 H ARG 24 -0.464 -7.335 1.841 182 HA ARG 24 HA ARG 24 -2.004 -9.713 2.355 183 1HB ARG 24 1HB ARG 24 -2.629 -8.236 0.577 184 2HB ARG 24 2HB ARG 24 -1.072 -8.371 -0.201 185 1HG ARG 24 1HG ARG 24 -2.379 -11.018 0.073 186 2HG ARG 24 2HG ARG 24 -3.403 -9.847 -0.734 187 1HD ARG 24 1HD ARG 24 -2.087 -11.048 -2.387 188 2HD ARG 24 2HD ARG 24 -1.684 -9.340 -2.380 189 HE ARG 24 HE ARG 24 0.423 -9.762 -1.469 190 1HH1 ARG 24 1HH1 ARG 24 -1.345 -12.829 -1.667 191 2HH1 ARG 24 2HH1 ARG 24 0.049 -13.819 -1.862 192 1HH2 ARG 24 1HH2 ARG 24 2.311 -11.057 -1.782 193 2HH2 ARG 24 2HH2 ARG 24 2.198 -12.773 -1.889 194 H LEU 25 H LEU 25 1.375 -9.154 1.406 195 HA LEU 25 HA LEU 25 1.965 -11.907 0.788 196 1HB LEU 25 1HB LEU 25 3.343 -9.794 0.273 197 2HB LEU 25 2HB LEU 25 3.920 -9.861 1.929 198 HG LEU 25 HG LEU 25 4.197 -12.210 0.013 199 1HD1 LEU 25 1HD1 LEU 25 6.483 -11.406 -0.448 200 2HD1 LEU 25 2HD1 LEU 25 5.281 -10.227 -0.983 201 3HD1 LEU 25 3HD1 LEU 25 6.181 -9.953 0.524 202 1HD2 LEU 25 1HD2 LEU 25 6.160 -12.770 1.496 203 2HD2 LEU 25 2HD2 LEU 25 5.668 -11.464 2.592 204 3HD2 LEU 25 3HD2 LEU 25 4.623 -12.879 2.333 205 H LEU 26 H LEU 26 2.250 -9.923 3.744 206 HA LEU 26 HA LEU 26 3.102 -12.006 5.471 207 1HB LEU 26 1HB LEU 26 3.233 -9.658 6.030 208 2HB LEU 26 2HB LEU 26 1.483 -9.494 6.090 209 HG LEU 26 HG LEU 26 2.781 -11.558 7.883 210 1HD1 LEU 26 1HD1 LEU 26 3.217 -9.845 9.606 211 2HD1 LEU 26 2HD1 LEU 26 4.209 -9.582 8.172 212 3HD1 LEU 26 3HD1 LEU 26 2.783 -8.558 8.454 213 1HD2 LEU 26 1HD2 LEU 26 0.310 -11.360 7.960 214 2HD2 LEU 26 2HD2 LEU 26 1.010 -10.803 9.468 215 3HD2 LEU 26 3HD2 LEU 26 0.444 -9.614 8.272 216 H ILE 27 H ILE 27 -0.257 -10.929 4.759 217 HA ILE 27 HA ILE 27 -1.528 -12.825 6.453 218 HB ILE 27 HB ILE 27 -2.445 -11.328 3.977 219 1HG1 ILE 27 1HG1 ILE 27 -3.318 -11.079 6.897 220 2HG1 ILE 27 2HG1 ILE 27 -1.966 -10.171 6.246 221 1HG2 ILE 27 1HG2 ILE 27 -3.803 -13.387 4.036 222 2HG2 ILE 27 2HG2 ILE 27 -4.163 -13.127 5.750 223 3HG2 ILE 27 3HG2 ILE 27 -4.787 -12.016 4.511 224 1HD1 ILE 27 1HD1 ILE 27 -4.855 -9.941 5.320 225 2HD1 ILE 27 2HD1 ILE 27 -3.916 -8.759 6.235 226 3HD1 ILE 27 3HD1 ILE 27 -3.473 -9.122 4.554 227 H LEU 28 H LEU 28 -0.502 -13.141 2.995 228 HA LEU 28 HA LEU 28 -1.462 -15.840 2.713 229 1HB LEU 28 1HB LEU 28 -0.824 -14.189 0.923 230 2HB LEU 28 2HB LEU 28 0.863 -14.562 1.273 231 HG LEU 28 HG LEU 28 -0.083 -15.743 -0.619 232 1HD1 LEU 28 1HD1 LEU 28 0.906 -17.823 -0.311 233 2HD1 LEU 28 2HD1 LEU 28 1.735 -16.770 0.874 234 3HD1 LEU 28 3HD1 LEU 28 0.476 -17.908 1.389 235 1HD2 LEU 28 1HD2 LEU 28 -1.802 -17.404 1.280 236 2HD2 LEU 28 2HD2 LEU 28 -2.445 -16.081 0.309 237 3HD2 LEU 28 3HD2 LEU 28 -1.744 -17.524 -0.470 238 H LEU 29 H LEU 29 1.765 -14.618 3.641 239 HA LEU 29 HA LEU 29 2.930 -17.150 4.067 240 1HB LEU 29 1HB LEU 29 4.190 -15.017 4.100 241 2HB LEU 29 2HB LEU 29 3.388 -14.556 5.603 242 HG LEU 29 HG LEU 29 4.480 -16.442 6.794 243 1HD1 LEU 29 1HD1 LEU 29 4.817 -18.047 4.962 244 2HD1 LEU 29 2HD1 LEU 29 5.908 -16.913 4.127 245 3HD1 LEU 29 3HD1 LEU 29 6.369 -17.640 5.684 246 1HD2 LEU 29 1HD2 LEU 29 6.739 -15.486 6.791 247 2HD2 LEU 29 2HD2 LEU 29 6.403 -14.640 5.264 248 3HD2 LEU 29 3HD2 LEU 29 5.514 -14.211 6.747 249 H LEU 30 H LEU 30 0.822 -15.313 6.274 250 HA LEU 30 HA LEU 30 0.979 -17.227 8.431 251 1HB LEU 30 1HB LEU 30 0.302 -14.862 8.701 252 2HB LEU 30 2HB LEU 30 -1.125 -15.164 7.728 253 HG LEU 30 HG LEU 30 -2.002 -16.746 9.427 254 1HD1 LEU 30 1HD1 LEU 30 -0.943 -16.792 11.691 255 2HD1 LEU 30 2HD1 LEU 30 0.070 -17.551 10.466 256 3HD1 LEU 30 3HD1 LEU 30 0.461 -15.913 11.039 257 1HD2 LEU 30 1HD2 LEU 30 -2.559 -15.045 11.106 258 2HD2 LEU 30 2HD2 LEU 30 -1.230 -14.013 10.529 259 3HD2 LEU 30 3HD2 LEU 30 -2.621 -14.366 9.472 260 H LEU 31 H LEU 31 -1.326 -16.695 5.756 261 HA LEU 31 HA LEU 31 -2.460 -19.376 6.129 262 1HB LEU 31 1HB LEU 31 -3.890 -17.700 7.281 263 2HB LEU 31 2HB LEU 31 -4.002 -16.782 5.777 264 HG LEU 31 HG LEU 31 -5.162 -18.721 4.700 265 1HD1 LEU 31 1HD1 LEU 31 -5.074 -19.931 7.502 266 2HD1 LEU 31 2HD1 LEU 31 -6.080 -20.525 6.163 267 3HD1 LEU 31 3HD1 LEU 31 -4.323 -20.603 6.039 268 1HD2 LEU 31 1HD2 LEU 31 -6.441 -17.739 7.285 269 2HD2 LEU 31 2HD2 LEU 31 -6.438 -16.882 5.726 270 3HD2 LEU 31 3HD2 LEU 31 -7.297 -18.421 5.883 271 1HN NH2 32 1HN NH2 32 -0.950 -19.841 4.438 272 2HN NH2 32 2HN NH2 32 -1.431 -19.518 2.786
Contact the webmaster for help, if required. Monday, May 13, 2024 6:53:20 AM GMT (wattos1)