NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22091 | 2jm0 | 15000 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LEU 1 1HT LEU 1 2.243 -0.813 11.265 2 2H LEU 1 2HT LEU 1 0.709 -0.114 11.476 3 3H LEU 1 3HT LEU 1 1.423 -0.152 9.936 4 HA LEU 1 HA LEU 1 0.176 -2.334 11.465 5 1HB LEU 1 2HB LEU 1 -0.902 -0.919 9.571 6 2HB LEU 1 1HB LEU 1 0.152 -1.831 8.491 7 HG LEU 1 HG LEU 1 -0.813 -3.901 9.842 8 1HD1 LEU 1 1HD1 LEU 1 -3.019 -3.601 10.677 9 2HD1 LEU 1 2HD1 LEU 1 -3.161 -2.002 9.947 10 3HD1 LEU 1 3HD1 LEU 1 -2.099 -2.247 11.335 11 1HD2 LEU 1 1HD2 LEU 1 -2.283 -2.364 7.679 12 2HD2 LEU 1 2HD2 LEU 1 -2.654 -4.029 8.129 13 3HD2 LEU 1 3HD2 LEU 1 -1.078 -3.630 7.443 14 H SER 2 H SER 2 0.602 -3.721 8.698 15 HA SER 2 HA SER 2 2.998 -5.183 9.558 16 1HB SER 2 2HB SER 2 0.805 -6.118 8.438 17 2HB SER 2 1HB SER 2 1.607 -5.660 6.939 18 HG SER 2 HG SER 2 3.398 -6.926 7.633 19 H ASP 3 H ASP 3 4.232 -3.009 9.207 20 HA ASP 3 HA ASP 3 4.766 -1.985 6.622 21 1HB ASP 3 2HB ASP 3 6.629 -2.213 9.007 22 2HB ASP 3 1HB ASP 3 6.928 -1.207 7.589 23 H GLU 4 H GLU 4 5.961 -4.857 8.255 24 HA GLU 4 HA GLU 4 8.084 -5.405 6.358 25 1HB GLU 4 2HB GLU 4 7.820 -6.368 8.730 26 2HB GLU 4 1HB GLU 4 6.633 -7.467 8.027 27 1HG GLU 4 2HG GLU 4 8.745 -8.612 7.986 28 2HG GLU 4 1HG GLU 4 8.398 -8.122 6.328 29 H ASP 5 H ASP 5 4.848 -6.859 6.848 30 HA ASP 5 HA ASP 5 4.949 -8.340 4.366 31 1HB ASP 5 2HB ASP 5 3.471 -8.788 6.438 32 2HB ASP 5 1HB ASP 5 2.416 -7.528 5.797 33 H PHE 6 H PHE 6 3.445 -5.271 5.358 34 HA PHE 6 HA PHE 6 2.049 -4.643 3.004 35 1HB PHE 6 2HB PHE 6 1.929 -3.250 5.019 36 2HB PHE 6 1HB PHE 6 3.616 -2.779 4.814 37 HD1 PHE 6 1HD PHE 6 0.183 -2.257 3.699 38 HD2 PHE 6 2HD PHE 6 4.306 -1.394 2.856 39 HE1 PHE 6 1HE PHE 6 -0.511 -0.419 2.186 40 HE2 PHE 6 2HE PHE 6 3.611 0.444 1.342 41 HZ PHE 6 HZ PHE 6 1.203 0.931 1.007 42 H ARG 7 H ARG 7 5.388 -3.592 3.783 43 HA ARG 7 HA ARG 7 6.021 -2.428 1.322 44 1HB ARG 7 2HB ARG 7 7.479 -2.434 3.362 45 2HB ARG 7 1HB ARG 7 7.913 -4.105 3.000 46 1HG ARG 7 2HG ARG 7 8.772 -3.389 0.787 47 2HG ARG 7 1HG ARG 7 8.380 -1.717 1.190 48 1HD ARG 7 2HD ARG 7 9.841 -2.561 3.386 49 2HD ARG 7 1HD ARG 7 10.658 -3.350 2.040 50 HE ARG 7 HE ARG 7 10.950 -0.626 2.649 51 1HH1 ARG 7 1HH2 ARG 7 9.940 -2.595 0.005 52 2HH1 ARG 7 2HH2 ARG 7 10.476 -1.477 -1.204 53 1HH2 ARG 7 1HH1 ARG 7 11.656 0.842 1.088 54 2HH2 ARG 7 2HH1 ARG 7 11.448 0.470 -0.591 55 H ALA 8 H ALA 8 6.044 -5.861 2.192 56 HA ALA 8 HA ALA 8 7.271 -6.772 -0.251 57 1HB ALA 8 1HB ALA 8 7.084 -8.108 1.872 58 2HB ALA 8 2HB ALA 8 6.548 -8.983 0.437 59 3HB ALA 8 3HB ALA 8 5.362 -8.294 1.546 60 H VAL 9 H VAL 9 3.962 -5.972 0.640 61 HA VAL 9 HA VAL 9 2.723 -7.325 -1.589 62 HB VAL 9 HB VAL 9 1.756 -5.045 0.151 63 1HG1 VAL 9 1HG1 VAL 9 0.385 -6.682 -1.992 64 2HG1 VAL 9 2HG1 VAL 9 0.498 -4.926 -1.879 65 3HG1 VAL 9 3HG1 VAL 9 -0.511 -5.818 -0.742 66 1HG2 VAL 9 1HG2 VAL 9 2.228 -7.369 1.145 67 2HG2 VAL 9 2HG2 VAL 9 0.897 -7.945 0.142 68 3HG2 VAL 9 3HG2 VAL 9 0.602 -6.729 1.384 69 1HN PF5 10 H PF5 10 3.518 -3.852 -1.076 70 HA PF5 10 HA PF5 10 3.026 -3.459 -3.989 71 1HB PF5 10 1HB PF5 10 2.784 -1.114 -3.486 72 2HB PF5 10 2HB PF5 10 3.423 -1.349 -1.852 73 H GLY 11 H GLY 11 5.586 -3.810 -1.775 74 1HA GLY 11 2HA GLY 11 7.896 -3.881 -2.311 75 2HA GLY 11 1HA GLY 11 7.512 -3.234 -3.906 76 H MET 12 H MET 12 6.175 -1.546 -1.212 77 HA MET 12 HA MET 12 8.444 0.329 -1.028 78 1HB MET 12 2HB MET 12 6.774 2.256 -1.500 79 2HB MET 12 1HB MET 12 7.410 1.364 -2.884 80 1HG MET 12 2HG MET 12 5.395 -0.049 -2.918 81 2HG MET 12 1HG MET 12 4.757 0.819 -1.520 82 1HE MET 12 1HE MET 12 5.020 2.117 -5.875 83 2HE MET 12 2HE MET 12 5.140 0.507 -5.172 84 3HE MET 12 3HE MET 12 6.479 1.638 -4.999 85 H THR 13 H THR 13 8.185 1.816 0.778 86 HA THR 13 HA THR 13 6.784 0.625 3.010 87 HB THR 13 HB THR 13 7.480 2.820 4.153 88 HG1 THR 13 1HG THR 13 7.599 4.009 2.192 89 1HG2 THR 13 1HG2 THR 13 9.581 1.133 2.764 90 2HG2 THR 13 2HG2 THR 13 8.809 0.760 4.307 91 3HG2 THR 13 3HG2 THR 13 9.866 2.165 4.167 92 H ARG 14 H ARG 14 5.037 1.626 4.230 93 HA ARG 14 HA ARG 14 2.841 2.503 2.688 94 1HB ARG 14 2HB ARG 14 3.425 3.021 5.619 95 2HB ARG 14 1HB ARG 14 1.854 3.246 4.849 96 1HG ARG 14 2HG ARG 14 2.006 0.805 4.118 97 2HG ARG 14 1HG ARG 14 3.380 0.658 5.216 98 1HD ARG 14 2HD ARG 14 1.439 -0.019 6.471 99 2HD ARG 14 1HD ARG 14 1.881 1.581 7.049 100 HE ARG 14 HE ARG 14 0.054 2.057 5.000 101 1HH1 ARG 14 1HH2 ARG 14 0.141 0.165 7.889 102 2HH1 ARG 14 2HH2 ARG 14 -1.553 0.338 8.207 103 1HH2 ARG 14 1HH1 ARG 14 -2.157 2.282 5.403 104 2HH2 ARG 14 2HH1 ARG 14 -2.850 1.535 6.803 105 H SER 15 H SER 15 5.509 4.329 4.061 106 HA SER 15 HA SER 15 4.314 6.929 3.951 107 1HB SER 15 2HB SER 15 6.576 7.793 4.051 108 2HB SER 15 1HB SER 15 6.495 6.367 5.083 109 HG SER 15 HG SER 15 7.362 5.169 3.330 110 H ALA 16 H ALA 16 6.192 5.078 1.556 111 HA ALA 16 HA ALA 16 5.983 7.153 -0.472 112 1HB ALA 16 1HB ALA 16 6.905 4.292 -0.418 113 2HB ALA 16 2HB ALA 16 7.813 5.745 -0.836 114 3HB ALA 16 3HB ALA 16 6.630 5.090 -1.967 115 H PHE 17 H PHE 17 4.279 4.106 0.227 116 HA PHE 17 HA PHE 17 2.592 4.079 -2.061 117 1HB PHE 17 2HB PHE 17 2.877 2.259 -0.270 118 2HB PHE 17 1HB PHE 17 1.721 3.180 0.691 119 HD1 PHE 17 1HD PHE 17 2.161 1.743 -2.745 120 HD2 PHE 17 2HD PHE 17 -0.573 2.820 0.390 121 HE1 PHE 17 1HE PHE 17 0.292 0.741 -4.030 122 HE2 PHE 17 2HE PHE 17 -2.441 1.818 -0.897 123 HZ PHE 17 HZ PHE 17 -2.009 0.779 -3.106 124 H ALA 18 H ALA 18 2.265 5.732 1.063 125 HA ALA 18 HA ALA 18 -0.387 6.699 0.730 126 1HB ALA 18 1HB ALA 18 1.862 8.243 2.041 127 2HB ALA 18 2HB ALA 18 1.085 6.861 2.811 128 3HB ALA 18 3HB ALA 18 0.144 8.302 2.429 129 H ASN 19 H ASN 19 2.499 7.475 -0.948 130 HA ASN 19 HA ASN 19 1.988 10.187 -1.676 131 1HB ASN 19 2HB ASN 19 4.144 8.935 -2.045 132 2HB ASN 19 1HB ASN 19 3.356 8.082 -3.373 133 1HD2 ASN 19 1HD2 ASN 19 4.115 11.421 -2.259 134 2HD2 ASN 19 2HD2 ASN 19 4.227 12.076 -3.821 135 H LEU 20 H LEU 20 0.773 7.137 -2.978 136 HA LEU 20 HA LEU 20 -0.347 8.230 -5.401 137 1HB LEU 20 2HB LEU 20 -1.275 5.810 -3.824 138 2HB LEU 20 1HB LEU 20 -1.599 6.141 -5.527 139 HG LEU 20 HG LEU 20 1.177 5.802 -4.357 140 1HD1 LEU 20 1HD1 LEU 20 0.182 3.660 -4.203 141 2HD1 LEU 20 2HD1 LEU 20 1.028 3.629 -5.750 142 3HD1 LEU 20 3HD1 LEU 20 -0.718 3.877 -5.703 143 1HD2 LEU 20 1HD2 LEU 20 1.406 7.062 -6.328 144 2HD2 LEU 20 2HD2 LEU 20 0.048 6.257 -7.113 145 3HD2 LEU 20 3HD2 LEU 20 1.579 5.406 -6.913 146 HA PRO 21 HA PRO 21 -3.940 10.492 -4.197 147 1HB PRO 21 2HB PRO 21 -5.395 8.527 -5.956 148 2HB PRO 21 1HB PRO 21 -5.555 10.295 -5.879 149 1HG PRO 21 2HG PRO 21 -4.161 9.207 -7.819 150 2HG PRO 21 1HG PRO 21 -3.548 10.652 -6.993 151 1HD PRO 21 2HD PRO 21 -2.630 7.810 -6.736 152 2HD PRO 21 1HD PRO 21 -1.685 9.312 -6.640 153 H LEU 22 H LEU 22 -5.306 10.345 -2.463 154 HA LEU 22 HA LEU 22 -5.405 8.106 -0.774 155 1HB LEU 22 2HB LEU 22 -7.477 10.302 -1.034 156 2HB LEU 22 1HB LEU 22 -7.259 9.252 0.365 157 HG LEU 22 HG LEU 22 -5.177 11.162 -0.736 158 1HD1 LEU 22 1HD1 LEU 22 -6.857 12.463 0.348 159 2HD1 LEU 22 2HD1 LEU 22 -5.583 12.250 1.549 160 3HD1 LEU 22 3HD1 LEU 22 -7.049 11.274 1.635 161 1HD2 LEU 22 1HD2 LEU 22 -4.229 10.527 1.655 162 2HD2 LEU 22 2HD2 LEU 22 -3.913 9.485 0.267 163 3HD2 LEU 22 3HD2 LEU 22 -5.189 9.068 1.411 164 H TRP 23 H TRP 23 -7.883 9.131 -3.150 165 HA TRP 23 HA TRP 23 -9.672 6.965 -2.602 166 1HB TRP 23 2HB TRP 23 -10.800 7.598 -4.626 167 2HB TRP 23 1HB TRP 23 -10.207 9.084 -3.882 168 HD1 TRP 23 HD TRP 23 -8.490 10.497 -5.193 169 HE1 TRP 23 1HE TRP 23 -7.367 10.277 -7.503 170 HE3 TRP 23 3HE TRP 23 -9.877 5.733 -6.396 171 HZ2 TRP 23 2HZ TRP 23 -7.094 8.335 -9.586 172 HZ3 TRP 23 3HZ TRP 23 -9.173 4.723 -8.547 173 HH2 TRP 23 HH TRP 23 -7.785 6.017 -10.142 174 H ARG 24 H ARG 24 -6.936 7.257 -4.841 175 HA ARG 24 HA ARG 24 -7.429 4.798 -6.243 176 1HB ARG 24 2HB ARG 24 -5.911 6.569 -7.084 177 2HB ARG 24 1HB ARG 24 -4.790 6.211 -5.768 178 1HG ARG 24 2HG ARG 24 -4.500 3.929 -6.583 179 2HG ARG 24 1HG ARG 24 -5.700 4.199 -7.848 180 1HD ARG 24 2HD ARG 24 -4.075 4.979 -9.189 181 2HD ARG 24 1HD ARG 24 -3.794 6.297 -8.049 182 HE ARG 24 HE ARG 24 -2.412 4.191 -6.925 183 1HH1 ARG 24 1HH2 ARG 24 -2.575 5.649 -10.044 184 2HH1 ARG 24 2HH2 ARG 24 -0.914 5.333 -10.426 185 1HH2 ARG 24 1HH1 ARG 24 -0.241 3.771 -7.404 186 2HH2 ARG 24 2HH1 ARG 24 0.407 4.271 -8.930 187 H GLN 25 H GLN 25 -5.280 5.530 -3.465 188 HA GLN 25 HA GLN 25 -4.129 3.004 -3.141 189 1HB GLN 25 2HB GLN 25 -5.058 4.939 -1.004 190 2HB GLN 25 1HB GLN 25 -4.027 3.542 -0.693 191 1HG GLN 25 2HG GLN 25 -2.378 4.430 -2.344 192 2HG GLN 25 1HG GLN 25 -3.385 5.865 -2.538 193 1HE2 GLN 25 1HE2 GLN 25 -1.976 3.959 0.192 194 2HE2 GLN 25 2HE2 GLN 25 -1.519 5.320 1.096 195 H GLN 26 H GLN 26 -7.322 4.083 -1.923 196 HA GLN 26 HA GLN 26 -7.997 1.601 -0.661 197 1HB GLN 26 2HB GLN 26 -9.805 3.656 -1.972 198 2HB GLN 26 1HB GLN 26 -10.358 2.348 -0.928 199 1HG GLN 26 2HG GLN 26 -9.005 3.232 0.926 200 2HG GLN 26 1HG GLN 26 -8.416 4.530 -0.114 201 1HE2 GLN 26 1HE2 GLN 26 -9.843 5.159 2.264 202 2HE2 GLN 26 2HE2 GLN 26 -11.350 5.817 1.842 203 H ASN 27 H ASN 27 -8.238 2.757 -3.981 204 HA ASN 27 HA ASN 27 -9.770 0.569 -5.031 205 1HB ASN 27 2HB ASN 27 -9.229 2.817 -6.151 206 2HB ASN 27 1HB ASN 27 -7.662 2.116 -6.554 207 1HD2 ASN 27 1HD2 ASN 27 -8.547 2.431 -8.870 208 2HD2 ASN 27 2HD2 ASN 27 -9.503 1.184 -9.515 209 H LEU 28 H LEU 28 -6.237 1.167 -5.028 210 HA LEU 28 HA LEU 28 -5.593 -1.442 -6.088 211 1HB LEU 28 2HB LEU 28 -3.819 0.400 -4.459 212 2HB LEU 28 1HB LEU 28 -3.293 -0.878 -5.553 213 HG LEU 28 HG LEU 28 -4.762 1.661 -6.317 214 1HD1 LEU 28 1HD1 LEU 28 -1.960 0.615 -6.820 215 2HD1 LEU 28 2HD1 LEU 28 -2.411 2.057 -5.910 216 3HD1 LEU 28 3HD1 LEU 28 -2.649 2.006 -7.657 217 1HD2 LEU 28 1HD2 LEU 28 -4.100 -0.861 -7.828 218 2HD2 LEU 28 2HD2 LEU 28 -4.184 0.683 -8.677 219 3HD2 LEU 28 3HD2 LEU 28 -5.601 0.065 -7.827 220 H ARG 29 H ARG 29 -6.034 -0.172 -2.825 221 HA ARG 29 HA ARG 29 -4.854 -2.502 -1.544 222 1HB ARG 29 2HB ARG 29 -6.507 -0.184 -0.539 223 2HB ARG 29 1HB ARG 29 -6.006 -1.506 0.517 224 1HG ARG 29 2HG ARG 29 -3.645 -1.090 -0.067 225 2HG ARG 29 1HG ARG 29 -4.139 0.228 -1.129 226 1HD ARG 29 2HD ARG 29 -4.659 0.110 1.857 227 2HD ARG 29 1HD ARG 29 -3.399 1.067 1.083 228 HE ARG 29 HE ARG 29 -5.726 1.872 -0.192 229 1HH1 ARG 29 1HH2 ARG 29 -4.624 1.593 3.065 230 2HH1 ARG 29 2HH2 ARG 29 -5.583 2.916 3.640 231 1HH2 ARG 29 1HH1 ARG 29 -6.979 3.596 0.540 232 2HH2 ARG 29 2HH1 ARG 29 -6.917 4.050 2.210 233 H ARG 30 H ARG 30 -8.237 -1.409 -2.061 234 HA ARG 30 HA ARG 30 -9.404 -3.708 -0.798 235 1HB ARG 30 2HB ARG 30 -10.435 -1.764 -2.871 236 2HB ARG 30 1HB ARG 30 -11.422 -3.098 -2.271 237 1HG ARG 30 2HG ARG 30 -11.120 -2.279 0.041 238 2HG ARG 30 1HG ARG 30 -10.141 -0.943 -0.564 239 1HD ARG 30 2HD ARG 30 -13.042 -1.465 -1.274 240 2HD ARG 30 1HD ARG 30 -12.461 -0.211 -0.180 241 HE ARG 30 HE ARG 30 -11.084 0.276 -2.536 242 1HH1 ARG 30 1HH2 ARG 30 -14.379 -0.155 -1.611 243 2HH1 ARG 30 2HH2 ARG 30 -14.998 0.897 -2.840 244 1HH2 ARG 30 1HH1 ARG 30 -11.873 1.649 -4.142 245 2HH2 ARG 30 2HH1 ARG 30 -13.579 1.919 -4.273 246 H GLU 31 H GLU 31 -8.484 -3.034 -4.170 247 HA GLU 31 HA GLU 31 -9.450 -5.484 -5.289 248 1HB GLU 31 2HB GLU 31 -8.616 -3.456 -6.572 249 2HB GLU 31 1HB GLU 31 -6.976 -3.965 -6.170 250 1HG GLU 31 2HG GLU 31 -7.419 -6.159 -7.256 251 2HG GLU 31 1HG GLU 31 -9.023 -5.584 -7.713 252 H ARG 32 H ARG 32 -6.793 -4.779 -3.210 253 HA ARG 32 HA ARG 32 -5.332 -7.240 -3.921 254 1HB ARG 32 2HB ARG 32 -4.292 -4.961 -3.234 255 2HB ARG 32 1HB ARG 32 -4.689 -5.453 -1.586 256 1HG ARG 32 2HG ARG 32 -2.575 -6.369 -1.754 257 2HG ARG 32 1HG ARG 32 -3.528 -7.719 -2.371 258 1HD ARG 32 2HD ARG 32 -3.199 -6.759 -4.694 259 2HD ARG 32 1HD ARG 32 -2.049 -5.627 -3.986 260 HE ARG 32 HE ARG 32 -1.159 -8.110 -3.127 261 1HH1 ARG 32 1HH2 ARG 32 -1.969 -6.643 -6.139 262 2HH1 ARG 32 2HH2 ARG 32 -0.822 -7.567 -7.050 263 1HH2 ARG 32 1HH1 ARG 32 0.344 -9.324 -4.297 264 2HH2 ARG 32 2HH1 ARG 32 0.488 -9.085 -6.006 265 H GLY 33 H GLY 33 -7.942 -6.482 -1.927 266 1HA GLY 33 2HA GLY 33 -9.072 -8.149 -0.594 267 2HA GLY 33 1HA GLY 33 -7.548 -9.025 -0.451 268 H LEU 34 H LEU 34 -6.863 -5.815 0.064 269 HA LEU 34 HA LEU 34 -7.065 -6.205 3.022 270 1HB LEU 34 2HB LEU 34 -5.230 -4.291 1.561 271 2HB LEU 34 1HB LEU 34 -5.144 -4.783 3.252 272 HG LEU 34 HG LEU 34 -4.760 -6.624 0.872 273 1HD1 LEU 34 1HD1 LEU 34 -2.754 -5.570 2.891 274 2HD1 LEU 34 2HD1 LEU 34 -2.903 -4.997 1.229 275 3HD1 LEU 34 3HD1 LEU 34 -2.409 -6.660 1.549 276 1HD2 LEU 34 1HD2 LEU 34 -4.782 -7.019 3.863 277 2HD2 LEU 34 2HD2 LEU 34 -3.858 -8.100 2.819 278 3HD2 LEU 34 3HD2 LEU 34 -5.606 -7.963 2.622 279 H PHE 35 H PHE 35 -7.501 -4.212 4.289 280 HA PHE 35 HA PHE 35 -8.909 -2.387 4.744 281 1HB PHE 35 2HB PHE 35 -7.796 -1.658 2.024 282 2HB PHE 35 1HB PHE 35 -8.795 -0.561 2.978 283 HD1 PHE 35 1HD PHE 35 -5.560 -2.337 2.809 284 HD2 PHE 35 2HD PHE 35 -7.961 0.458 5.017 285 HE1 PHE 35 1HE PHE 35 -3.569 -1.670 4.130 286 HE2 PHE 35 2HE PHE 35 -5.972 1.124 6.339 287 HZ PHE 35 HZ PHE 35 -3.776 0.060 5.896 Start of MODEL 2 1 1H LEU 1 1HT LEU 1 -0.316 -0.567 9.725 2 2H LEU 1 2HT LEU 1 1.095 -1.446 10.072 3 3H LEU 1 3HT LEU 1 0.133 -0.845 11.337 4 HA LEU 1 HA LEU 1 -1.073 -2.683 11.364 5 1HB LEU 1 2HB LEU 1 -2.337 -1.473 9.520 6 2HB LEU 1 1HB LEU 1 -1.407 -2.428 8.366 7 HG LEU 1 HG LEU 1 -2.214 -4.458 9.834 8 1HD1 LEU 1 1HD1 LEU 1 -3.256 -3.149 11.604 9 2HD1 LEU 1 2HD1 LEU 1 -4.512 -4.026 10.729 10 3HD1 LEU 1 3HD1 LEU 1 -4.266 -2.305 10.429 11 1HD2 LEU 1 1HD2 LEU 1 -4.203 -4.662 8.381 12 2HD2 LEU 1 2HD2 LEU 1 -2.814 -4.070 7.468 13 3HD2 LEU 1 3HD2 LEU 1 -4.080 -2.950 7.972 14 H SER 2 H SER 2 0.608 -2.902 8.203 15 HA SER 2 HA SER 2 2.149 -5.205 9.244 16 1HB SER 2 2HB SER 2 0.694 -5.497 6.622 17 2HB SER 2 1HB SER 2 1.413 -6.752 7.627 18 HG SER 2 HG SER 2 -0.628 -6.915 8.222 19 H ASP 3 H ASP 3 3.657 -3.229 8.930 20 HA ASP 3 HA ASP 3 4.332 -2.279 6.333 21 1HB ASP 3 2HB ASP 3 6.440 -1.558 7.327 22 2HB ASP 3 1HB ASP 3 5.137 -1.269 8.480 23 H GLU 4 H GLU 4 5.301 -5.169 8.110 24 HA GLU 4 HA GLU 4 7.380 -5.990 6.294 25 1HB GLU 4 2HB GLU 4 6.930 -6.900 8.643 26 2HB GLU 4 1HB GLU 4 5.622 -7.838 7.922 27 1HG GLU 4 2HG GLU 4 7.259 -8.829 6.322 28 2HG GLU 4 1HG GLU 4 8.552 -7.962 7.153 29 H ASP 5 H ASP 5 3.932 -6.881 6.568 30 HA ASP 5 HA ASP 5 3.993 -8.459 4.121 31 1HB ASP 5 2HB ASP 5 2.355 -8.689 6.107 32 2HB ASP 5 1HB ASP 5 1.513 -7.306 5.406 33 H PHE 6 H PHE 6 2.550 -5.304 4.997 34 HA PHE 6 HA PHE 6 1.579 -4.560 2.473 35 1HB PHE 6 2HB PHE 6 1.195 -3.228 4.507 36 2HB PHE 6 1HB PHE 6 2.903 -2.787 4.549 37 HD1 PHE 6 1HD PHE 6 -0.339 -2.097 3.075 38 HD2 PHE 6 2HD PHE 6 3.885 -1.444 2.651 39 HE1 PHE 6 1HE PHE 6 -0.785 -0.210 1.527 40 HE2 PHE 6 2HE PHE 6 3.439 0.443 1.104 41 HZ PHE 6 HZ PHE 6 1.103 1.059 0.542 42 H ARG 7 H ARG 7 4.775 -3.633 3.808 43 HA ARG 7 HA ARG 7 5.830 -2.440 1.507 44 1HB ARG 7 2HB ARG 7 6.938 -2.508 3.750 45 2HB ARG 7 1HB ARG 7 7.372 -4.191 3.447 46 1HG ARG 7 2HG ARG 7 8.604 -3.490 1.411 47 2HG ARG 7 1HG ARG 7 8.207 -1.809 1.765 48 1HD ARG 7 2HD ARG 7 9.776 -3.655 3.587 49 2HD ARG 7 1HD ARG 7 10.472 -2.393 2.575 50 HE ARG 7 HE ARG 7 8.574 -1.061 4.101 51 1HH1 ARG 7 1HH2 ARG 7 11.250 -3.151 4.697 52 2HH1 ARG 7 2HH2 ARG 7 11.627 -2.446 6.233 53 1HH2 ARG 7 1HH1 ARG 7 9.052 -0.129 6.099 54 2HH2 ARG 7 2HH1 ARG 7 10.383 -0.735 7.028 55 H ALA 8 H ALA 8 5.632 -5.887 2.299 56 HA ALA 8 HA ALA 8 7.218 -6.790 0.068 57 1HB ALA 8 1HB ALA 8 6.645 -8.150 2.111 58 2HB ALA 8 2HB ALA 8 6.353 -8.990 0.588 59 3HB ALA 8 3HB ALA 8 5.003 -8.295 1.488 60 H VAL 9 H VAL 9 3.839 -5.888 0.417 61 HA VAL 9 HA VAL 9 2.905 -7.190 -1.973 62 HB VAL 9 HB VAL 9 1.820 -4.820 -0.432 63 1HG1 VAL 9 1HG1 VAL 9 0.710 -6.384 -2.773 64 2HG1 VAL 9 2HG1 VAL 9 0.933 -4.639 -2.647 65 3HG1 VAL 9 3HG1 VAL 9 -0.314 -5.440 -1.691 66 1HG2 VAL 9 1HG2 VAL 9 0.370 -6.402 0.599 67 2HG2 VAL 9 2HG2 VAL 9 1.958 -7.171 0.616 68 3HG2 VAL 9 3HG2 VAL 9 0.759 -7.649 -0.587 69 1HN PF5 10 H PF5 10 3.885 -3.779 -1.384 70 HA PF5 10 HA PF5 10 3.862 -3.411 -4.341 71 1HB PF5 10 1HB PF5 10 3.747 -1.040 -3.900 72 2HB PF5 10 2HB PF5 10 4.100 -1.295 -2.186 73 H GLY 11 H GLY 11 6.007 -3.564 -1.606 74 1HA GLY 11 2HA GLY 11 8.368 -3.977 -1.870 75 2HA GLY 11 1HA GLY 11 8.282 -3.275 -3.485 76 H MET 12 H MET 12 6.595 -1.423 -1.195 77 HA MET 12 HA MET 12 8.967 0.228 -0.528 78 1HB MET 12 2HB MET 12 7.610 2.288 -1.227 79 2HB MET 12 1HB MET 12 8.271 1.309 -2.538 80 1HG MET 12 2HG MET 12 5.527 0.686 -1.494 81 2HG MET 12 1HG MET 12 5.740 2.046 -2.597 82 1HE MET 12 1HE MET 12 5.616 1.625 -5.279 83 2HE MET 12 2HE MET 12 7.032 0.714 -5.794 84 3HE MET 12 3HE MET 12 7.196 1.959 -4.559 85 H THR 13 H THR 13 8.365 1.934 1.111 86 HA THR 13 HA THR 13 6.662 0.747 3.156 87 HB THR 13 HB THR 13 7.222 2.945 4.363 88 HG1 THR 13 1HG THR 13 7.758 3.804 2.094 89 1HG2 THR 13 1HG2 THR 13 9.502 2.222 4.830 90 2HG2 THR 13 2HG2 THR 13 9.536 1.278 3.340 91 3HG2 THR 13 3HG2 THR 13 8.466 0.805 4.660 92 H ARG 14 H ARG 14 4.788 1.835 4.105 93 HA ARG 14 HA ARG 14 2.852 2.700 2.243 94 1HB ARG 14 2HB ARG 14 3.046 3.284 5.212 95 2HB ARG 14 1HB ARG 14 1.607 3.565 4.232 96 1HG ARG 14 2HG ARG 14 1.628 1.138 3.601 97 2HG ARG 14 1HG ARG 14 2.961 0.898 4.731 98 1HD ARG 14 2HD ARG 14 0.206 1.944 5.460 99 2HD ARG 14 1HD ARG 14 0.817 0.332 5.806 100 HE ARG 14 HE ARG 14 2.697 2.034 6.945 101 1HH1 ARG 14 1HH2 ARG 14 -0.733 1.652 7.103 102 2HH1 ARG 14 2HH2 ARG 14 -0.843 2.162 8.755 103 1HH2 ARG 14 1HH1 ARG 14 2.563 2.707 9.096 104 2HH2 ARG 14 2HH1 ARG 14 1.020 2.757 9.881 105 H SER 15 H SER 15 5.362 4.515 3.892 106 HA SER 15 HA SER 15 4.312 7.136 3.660 107 1HB SER 15 2HB SER 15 7.208 6.328 3.265 108 2HB SER 15 1HB SER 15 6.615 7.916 3.744 109 HG SER 15 HG SER 15 6.049 5.557 5.204 110 H ALA 16 H ALA 16 6.181 5.214 1.310 111 HA ALA 16 HA ALA 16 6.045 7.282 -0.734 112 1HB ALA 16 1HB ALA 16 7.877 5.811 -0.974 113 2HB ALA 16 2HB ALA 16 6.749 5.272 -2.218 114 3HB ALA 16 3HB ALA 16 6.878 4.384 -0.700 115 H PHE 17 H PHE 17 4.365 4.183 -0.161 116 HA PHE 17 HA PHE 17 2.695 4.226 -2.450 117 1HB PHE 17 2HB PHE 17 2.973 2.364 -0.689 118 2HB PHE 17 1HB PHE 17 1.772 3.246 0.256 119 HD1 PHE 17 1HD PHE 17 2.363 1.774 -3.133 120 HD2 PHE 17 2HD PHE 17 -0.524 2.977 -0.188 121 HE1 PHE 17 1HE PHE 17 0.551 0.773 -4.499 122 HE2 PHE 17 2HE PHE 17 -2.335 1.977 -1.554 123 HZ PHE 17 HZ PHE 17 -1.797 0.874 -3.710 124 H ALA 18 H ALA 18 2.382 5.861 0.670 125 HA ALA 18 HA ALA 18 -0.291 6.768 0.437 126 1HB ALA 18 1HB ALA 18 0.492 8.693 1.876 127 2HB ALA 18 2HB ALA 18 2.136 8.085 1.688 128 3HB ALA 18 3HB ALA 18 0.920 7.103 2.504 129 H ASN 19 H ASN 19 2.501 7.594 -1.388 130 HA ASN 19 HA ASN 19 1.924 10.253 -2.177 131 1HB ASN 19 2HB ASN 19 4.009 8.889 -2.707 132 2HB ASN 19 1HB ASN 19 3.076 8.126 -3.994 133 1HD2 ASN 19 1HD2 ASN 19 3.786 9.089 -5.914 134 2HD2 ASN 19 2HD2 ASN 19 3.928 10.764 -6.157 135 H LEU 20 H LEU 20 0.643 7.174 -3.390 136 HA LEU 20 HA LEU 20 -0.731 8.229 -5.673 137 1HB LEU 20 2HB LEU 20 -1.539 5.867 -3.949 138 2HB LEU 20 1HB LEU 20 -2.015 6.158 -5.622 139 HG LEU 20 HG LEU 20 0.831 5.736 -4.665 140 1HD1 LEU 20 1HD1 LEU 20 -1.209 3.943 -5.982 141 2HD1 LEU 20 2HD1 LEU 20 -0.243 3.626 -4.540 142 3HD1 LEU 20 3HD1 LEU 20 0.521 3.633 -6.130 143 1HD2 LEU 20 1HD2 LEU 20 -0.432 6.388 -7.314 144 2HD2 LEU 20 2HD2 LEU 20 1.040 5.419 -7.271 145 3HD2 LEU 20 3HD2 LEU 20 1.036 7.046 -6.591 146 HA PRO 21 HA PRO 21 -4.167 10.590 -4.222 147 1HB PRO 21 2HB PRO 21 -5.803 8.533 -5.695 148 2HB PRO 21 1HB PRO 21 -5.972 10.302 -5.686 149 1HG PRO 21 2HG PRO 21 -4.790 9.115 -7.715 150 2HG PRO 21 1HG PRO 21 -4.118 10.615 -7.045 151 1HD PRO 21 2HD PRO 21 -3.104 7.815 -6.765 152 2HD PRO 21 1HD PRO 21 -2.198 9.343 -6.803 153 H LEU 22 H LEU 22 -5.509 10.556 -2.432 154 HA LEU 22 HA LEU 22 -5.318 8.463 -0.545 155 1HB LEU 22 2HB LEU 22 -5.948 10.832 -0.050 156 2HB LEU 22 1HB LEU 22 -7.540 10.516 -0.740 157 HG LEU 22 HG LEU 22 -7.776 8.620 0.923 158 1HD1 LEU 22 1HD1 LEU 22 -5.618 8.096 1.646 159 2HD1 LEU 22 2HD1 LEU 22 -6.207 9.082 2.984 160 3HD1 LEU 22 3HD1 LEU 22 -5.141 9.790 1.770 161 1HD2 LEU 22 1HD2 LEU 22 -7.422 11.473 1.881 162 2HD2 LEU 22 2HD2 LEU 22 -8.136 10.205 2.878 163 3HD2 LEU 22 3HD2 LEU 22 -8.918 10.690 1.373 164 H TRP 23 H TRP 23 -7.857 9.084 -2.957 165 HA TRP 23 HA TRP 23 -9.549 6.935 -1.945 166 1HB TRP 23 2HB TRP 23 -10.976 7.428 -3.836 167 2HB TRP 23 1HB TRP 23 -10.418 8.956 -3.156 168 HD1 TRP 23 HD TRP 23 -9.004 10.509 -4.655 169 HE1 TRP 23 1HE TRP 23 -8.157 10.380 -7.087 170 HE3 TRP 23 3HE TRP 23 -10.117 5.641 -5.721 171 HZ2 TRP 23 2HZ TRP 23 -7.976 8.465 -9.204 172 HZ3 TRP 23 3HZ TRP 23 -9.599 4.691 -7.949 173 HH2 TRP 23 HH TRP 23 -8.530 6.095 -9.691 174 H ARG 24 H ARG 24 -7.049 7.227 -4.400 175 HA ARG 24 HA ARG 24 -7.700 4.784 -5.796 176 1HB ARG 24 2HB ARG 24 -6.299 6.600 -6.769 177 2HB ARG 24 1HB ARG 24 -5.027 6.200 -5.613 178 1HG ARG 24 2HG ARG 24 -4.863 3.937 -6.519 179 2HG ARG 24 1HG ARG 24 -6.201 4.256 -7.623 180 1HD ARG 24 2HD ARG 24 -4.696 4.996 -9.123 181 2HD ARG 24 1HD ARG 24 -4.371 6.354 -8.040 182 HE ARG 24 HE ARG 24 -2.804 4.341 -6.998 183 1HH1 ARG 24 1HH2 ARG 24 -3.311 5.690 -10.129 184 2HH1 ARG 24 2HH2 ARG 24 -1.682 5.427 -10.654 185 1HH2 ARG 24 1HH1 ARG 24 -0.671 3.992 -7.664 186 2HH2 ARG 24 2HH1 ARG 24 -0.186 4.466 -9.258 187 H GLN 25 H GLN 25 -5.268 5.525 -3.266 188 HA GLN 25 HA GLN 25 -4.022 3.035 -3.110 189 1HB GLN 25 2HB GLN 25 -3.810 3.536 -0.606 190 2HB GLN 25 1HB GLN 25 -3.186 4.761 -1.711 191 1HG GLN 25 2HG GLN 25 -5.279 6.042 -1.501 192 2HG GLN 25 1HG GLN 25 -5.933 4.811 -0.420 193 1HE2 GLN 25 1HE2 GLN 25 -3.429 7.329 -0.689 194 2HE2 GLN 25 2HE2 GLN 25 -3.133 7.450 0.978 195 H GLN 26 H GLN 26 -7.132 3.972 -1.607 196 HA GLN 26 HA GLN 26 -7.572 1.430 -0.330 197 1HB GLN 26 2HB GLN 26 -9.546 3.508 -1.326 198 2HB GLN 26 1HB GLN 26 -9.984 2.116 -0.335 199 1HG GLN 26 2HG GLN 26 -8.449 2.891 1.437 200 2HG GLN 26 1HG GLN 26 -8.018 4.288 0.449 201 1HE2 GLN 26 1HE2 GLN 26 -9.178 4.722 2.987 202 2HE2 GLN 26 2HE2 GLN 26 -10.752 5.328 2.789 203 H ASN 27 H ASN 27 -8.218 2.691 -3.554 204 HA ASN 27 HA ASN 27 -9.828 0.518 -4.505 205 1HB ASN 27 2HB ASN 27 -9.450 2.795 -5.611 206 2HB ASN 27 1HB ASN 27 -7.909 2.154 -6.181 207 1HD2 ASN 27 1HD2 ASN 27 -8.891 2.424 -8.415 208 2HD2 ASN 27 2HD2 ASN 27 -9.922 1.208 -9.000 209 H LEU 28 H LEU 28 -6.324 1.158 -4.907 210 HA LEU 28 HA LEU 28 -5.779 -1.406 -6.107 211 1HB LEU 28 2HB LEU 28 -3.868 0.419 -4.619 212 2HB LEU 28 1HB LEU 28 -3.431 -0.843 -5.769 213 HG LEU 28 HG LEU 28 -5.041 1.651 -6.393 214 1HD1 LEU 28 1HD1 LEU 28 -2.646 2.091 -6.064 215 2HD1 LEU 28 2HD1 LEU 28 -3.057 2.219 -7.775 216 3HD1 LEU 28 3HD1 LEU 28 -2.240 0.778 -7.170 217 1HD2 LEU 28 1HD2 LEU 28 -5.871 0.042 -7.885 218 2HD2 LEU 28 2HD2 LEU 28 -4.334 -0.819 -7.962 219 3HD2 LEU 28 3HD2 LEU 28 -4.522 0.723 -8.793 220 H ARG 29 H ARG 29 -5.814 -0.245 -2.765 221 HA ARG 29 HA ARG 29 -4.514 -2.623 -1.717 222 1HB ARG 29 2HB ARG 29 -6.038 -0.351 -0.440 223 2HB ARG 29 1HB ARG 29 -5.411 -1.705 0.500 224 1HG ARG 29 2HG ARG 29 -3.140 -1.248 -0.307 225 2HG ARG 29 1HG ARG 29 -3.746 0.069 -1.312 226 1HD ARG 29 2HD ARG 29 -3.896 -0.064 1.715 227 2HD ARG 29 1HD ARG 29 -2.803 0.953 0.778 228 HE ARG 29 HE ARG 29 -5.320 1.644 -0.156 229 1HH1 ARG 29 1HH2 ARG 29 -3.763 1.423 2.915 230 2HH1 ARG 29 2HH2 ARG 29 -4.692 2.700 3.625 231 1HH2 ARG 29 1HH1 ARG 29 -6.540 3.309 0.753 232 2HH2 ARG 29 2HH1 ARG 29 -6.266 3.767 2.399 233 H ARG 30 H ARG 30 -7.923 -1.562 -1.971 234 HA ARG 30 HA ARG 30 -8.954 -3.863 -0.567 235 1HB ARG 30 2HB ARG 30 -10.185 -1.876 -2.482 236 2HB ARG 30 1HB ARG 30 -11.110 -3.237 -1.845 237 1HG ARG 30 2HG ARG 30 -10.645 -2.501 0.453 238 2HG ARG 30 1HG ARG 30 -9.672 -1.165 -0.161 239 1HD ARG 30 2HD ARG 30 -12.621 -1.577 -0.737 240 2HD ARG 30 1HD ARG 30 -11.967 -0.430 0.430 241 HE ARG 30 HE ARG 30 -10.680 0.230 -1.932 242 1HH1 ARG 30 1HH2 ARG 30 -13.943 -0.229 -0.914 243 2HH1 ARG 30 2HH2 ARG 30 -14.591 0.930 -2.026 244 1HH2 ARG 30 1HH1 ARG 30 -11.507 1.742 -3.387 245 2HH2 ARG 30 2HH1 ARG 30 -13.211 2.046 -3.427 246 H GLU 31 H GLU 31 -8.150 -3.208 -3.943 247 HA GLU 31 HA GLU 31 -9.374 -5.511 -5.108 248 1HB GLU 31 2HB GLU 31 -6.970 -3.838 -5.858 249 2HB GLU 31 1HB GLU 31 -7.450 -5.236 -6.821 250 1HG GLU 31 2HG GLU 31 -9.341 -2.978 -6.114 251 2HG GLU 31 1HG GLU 31 -8.408 -3.031 -7.611 252 H ARG 32 H ARG 32 -6.567 -5.123 -3.112 253 HA ARG 32 HA ARG 32 -5.664 -7.889 -3.760 254 1HB ARG 32 2HB ARG 32 -4.267 -5.667 -2.242 255 2HB ARG 32 1HB ARG 32 -3.579 -7.254 -2.592 256 1HG ARG 32 2HG ARG 32 -4.133 -6.697 -5.071 257 2HG ARG 32 1HG ARG 32 -4.253 -5.030 -4.508 258 1HD ARG 32 2HD ARG 32 -1.989 -5.275 -5.185 259 2HD ARG 32 1HD ARG 32 -1.949 -5.408 -3.428 260 HE ARG 32 HE ARG 32 -2.219 -8.026 -4.238 261 1HH1 ARG 32 1HH2 ARG 32 -0.147 -5.401 -5.074 262 2HH1 ARG 32 2HH2 ARG 32 1.208 -6.413 -5.445 263 1HH2 ARG 32 1HH1 ARG 32 -0.462 -9.364 -4.717 264 2HH2 ARG 32 2HH1 ARG 32 1.030 -8.658 -5.243 265 H GLY 33 H GLY 33 -7.662 -6.393 -1.571 266 1HA GLY 33 2HA GLY 33 -8.628 -7.257 0.401 267 2HA GLY 33 1HA GLY 33 -7.636 -8.701 0.186 268 H LEU 34 H LEU 34 -6.994 -5.231 0.866 269 HA LEU 34 HA LEU 34 -5.372 -6.138 3.205 270 1HB LEU 34 2HB LEU 34 -4.580 -3.991 1.213 271 2HB LEU 34 1HB LEU 34 -3.681 -4.424 2.668 272 HG LEU 34 HG LEU 34 -4.334 -6.407 0.475 273 1HD1 LEU 34 1HD1 LEU 34 -1.913 -4.640 0.894 274 2HD1 LEU 34 2HD1 LEU 34 -2.912 -4.778 -0.552 275 3HD1 LEU 34 3HD1 LEU 34 -1.860 -6.111 -0.078 276 1HD2 LEU 34 1HD2 LEU 34 -2.249 -7.475 1.643 277 2HD2 LEU 34 2HD2 LEU 34 -3.822 -7.606 2.431 278 3HD2 LEU 34 3HD2 LEU 34 -2.658 -6.399 2.978 279 H PHE 35 H PHE 35 -7.495 -3.796 1.744 280 HA PHE 35 HA PHE 35 -8.116 -2.706 4.399 281 1HB PHE 35 2HB PHE 35 -6.811 -1.048 2.232 282 2HB PHE 35 1HB PHE 35 -7.755 -0.325 3.534 283 HD1 PHE 35 1HD PHE 35 -4.655 -2.089 2.659 284 HD2 PHE 35 2HD PHE 35 -6.999 -0.462 5.871 285 HE1 PHE 35 1HE PHE 35 -2.693 -2.243 4.169 286 HE2 PHE 35 2HE PHE 35 -5.038 -0.616 7.381 287 HZ PHE 35 HZ PHE 35 -2.885 -1.506 6.530 Start of MODEL 3 1 1H LEU 1 1HT LEU 1 1.345 -1.111 10.733 2 2H LEU 1 2HT LEU 1 -0.060 -0.918 11.669 3 3H LEU 1 3HT LEU 1 -0.013 -0.340 10.072 4 HA LEU 1 HA LEU 1 -0.745 -2.903 11.012 5 1HB LEU 1 2HB LEU 1 -0.700 -1.438 8.372 6 2HB LEU 1 1HB LEU 1 -1.254 -3.109 8.486 7 HG LEU 1 HG LEU 1 -2.872 -2.393 10.262 8 1HD1 LEU 1 1HD1 LEU 1 -3.315 0.158 10.217 9 2HD1 LEU 1 2HD1 LEU 1 -1.690 0.290 9.547 10 3HD1 LEU 1 3HD1 LEU 1 -1.930 -0.413 11.146 11 1HD2 LEU 1 1HD2 LEU 1 -2.985 -1.132 7.513 12 2HD2 LEU 1 2HD2 LEU 1 -4.342 -1.061 8.638 13 3HD2 LEU 1 3HD2 LEU 1 -3.760 -2.621 8.055 14 H SER 2 H SER 2 -0.206 -4.519 8.789 15 HA SER 2 HA SER 2 2.351 -5.595 9.458 16 1HB SER 2 2HB SER 2 1.023 -6.041 6.789 17 2HB SER 2 1HB SER 2 1.978 -7.172 7.743 18 HG SER 2 HG SER 2 0.227 -7.710 8.761 19 H ASP 3 H ASP 3 3.535 -3.439 9.291 20 HA ASP 3 HA ASP 3 4.031 -2.193 6.771 21 1HB ASP 3 2HB ASP 3 5.816 -2.390 9.217 22 2HB ASP 3 1HB ASP 3 6.075 -1.286 7.865 23 H GLU 4 H GLU 4 5.452 -5.001 8.355 24 HA GLU 4 HA GLU 4 7.662 -5.303 6.518 25 1HB GLU 4 2HB GLU 4 7.415 -6.409 8.807 26 2HB GLU 4 1HB GLU 4 6.286 -7.527 8.042 27 1HG GLU 4 2HG GLU 4 8.052 -8.122 6.385 28 2HG GLU 4 1HG GLU 4 9.181 -7.084 7.258 29 H ASP 5 H ASP 5 4.488 -6.937 6.756 30 HA ASP 5 HA ASP 5 4.801 -8.350 4.259 31 1HB ASP 5 2HB ASP 5 3.175 -8.860 6.205 32 2HB ASP 5 1HB ASP 5 2.147 -7.614 5.497 33 H PHE 6 H PHE 6 3.226 -5.303 5.184 34 HA PHE 6 HA PHE 6 1.963 -4.652 2.762 35 1HB PHE 6 2HB PHE 6 1.747 -3.282 4.793 36 2HB PHE 6 1HB PHE 6 3.436 -2.796 4.657 37 HD1 PHE 6 1HD PHE 6 0.046 -2.336 3.363 38 HD2 PHE 6 2HD PHE 6 4.189 -1.356 2.782 39 HE1 PHE 6 1HE PHE 6 -0.603 -0.497 1.833 40 HE2 PHE 6 2HE PHE 6 3.538 0.483 1.251 41 HZ PHE 6 HZ PHE 6 1.142 0.914 0.777 42 H ARG 7 H ARG 7 5.250 -3.601 3.735 43 HA ARG 7 HA ARG 7 6.023 -2.430 1.316 44 1HB ARG 7 2HB ARG 7 7.391 -2.361 3.369 45 2HB ARG 7 1HB ARG 7 7.761 -4.075 3.182 46 1HG ARG 7 2HG ARG 7 8.936 -3.673 1.117 47 2HG ARG 7 1HG ARG 7 8.392 -1.996 1.074 48 1HD ARG 7 2HD ARG 7 10.665 -1.998 1.886 49 2HD ARG 7 1HD ARG 7 9.613 -1.630 3.250 50 HE ARG 7 HE ARG 7 9.901 -4.390 3.344 51 1HH1 ARG 7 1HH2 ARG 7 11.994 -1.654 3.220 52 2HH1 ARG 7 2HH2 ARG 7 13.264 -2.421 4.113 53 1HH2 ARG 7 1HH1 ARG 7 11.545 -5.405 4.509 54 2HH2 ARG 7 2HH1 ARG 7 13.010 -4.544 4.844 55 H ALA 8 H ALA 8 5.994 -5.863 2.179 56 HA ALA 8 HA ALA 8 7.369 -6.769 -0.188 57 1HB ALA 8 1HB ALA 8 6.485 -8.987 0.424 58 2HB ALA 8 2HB ALA 8 5.397 -8.237 1.592 59 3HB ALA 8 3HB ALA 8 7.142 -8.163 1.838 60 H VAL 9 H VAL 9 4.019 -5.954 0.497 61 HA VAL 9 HA VAL 9 2.927 -7.308 -1.816 62 HB VAL 9 HB VAL 9 1.826 -5.076 -0.093 63 1HG1 VAL 9 1HG1 VAL 9 0.618 -6.670 -2.362 64 2HG1 VAL 9 2HG1 VAL 9 0.683 -4.917 -2.181 65 3HG1 VAL 9 3HG1 VAL 9 -0.373 -5.872 -1.141 66 1HG2 VAL 9 1HG2 VAL 9 0.615 -6.803 1.026 67 2HG2 VAL 9 2HG2 VAL 9 2.264 -7.413 0.883 68 3HG2 VAL 9 3HG2 VAL 9 1.012 -7.989 -0.218 69 1HN PF5 10 H PF5 10 3.606 -3.826 -1.195 70 HA PF5 10 HA PF5 10 3.281 -3.385 -4.121 71 1HB PF5 10 1HB PF5 10 2.999 -1.049 -3.584 72 2HB PF5 10 2HB PF5 10 3.546 -1.318 -1.923 73 H GLY 11 H GLY 11 5.731 -3.772 -1.796 74 1HA GLY 11 2HA GLY 11 8.065 -3.814 -2.228 75 2HA GLY 11 1HA GLY 11 7.753 -3.102 -3.811 76 H MET 12 H MET 12 6.221 -1.494 -1.201 77 HA MET 12 HA MET 12 8.476 0.360 -0.764 78 1HB MET 12 2HB MET 12 6.844 2.305 -1.309 79 2HB MET 12 1HB MET 12 7.601 1.460 -2.660 80 1HG MET 12 2HG MET 12 5.607 0.065 -2.942 81 2HG MET 12 1HG MET 12 4.849 0.836 -1.548 82 1HE MET 12 1HE MET 12 5.439 2.413 -5.777 83 2HE MET 12 2HE MET 12 5.539 0.763 -5.169 84 3HE MET 12 3HE MET 12 6.833 1.905 -4.816 85 H THR 13 H THR 13 8.070 1.795 1.060 86 HA THR 13 HA THR 13 6.466 0.546 3.123 87 HB THR 13 HB THR 13 7.092 2.743 4.364 88 HG1 THR 13 1HG THR 13 7.766 4.141 2.934 89 1HG2 THR 13 1HG2 THR 13 9.398 1.933 4.704 90 2HG2 THR 13 2HG2 THR 13 9.251 0.916 3.271 91 3HG2 THR 13 3HG2 THR 13 8.251 0.593 4.688 92 H ARG 14 H ARG 14 4.663 1.585 4.252 93 HA ARG 14 HA ARG 14 2.605 2.530 2.571 94 1HB ARG 14 2HB ARG 14 2.998 3.015 5.539 95 2HB ARG 14 1HB ARG 14 1.490 3.288 4.666 96 1HG ARG 14 2HG ARG 14 1.651 0.842 3.919 97 2HG ARG 14 1HG ARG 14 2.913 0.662 5.139 98 1HD ARG 14 2HD ARG 14 0.839 0.030 6.199 99 2HD ARG 14 1HD ARG 14 1.275 1.611 6.830 100 HE ARG 14 HE ARG 14 -0.341 2.145 4.616 101 1HH1 ARG 14 1HH2 ARG 14 -0.573 0.283 7.518 102 2HH1 ARG 14 2HH2 ARG 14 -2.280 0.522 7.688 103 1HH2 ARG 14 1HH1 ARG 14 -2.569 2.456 4.824 104 2HH2 ARG 14 2HH1 ARG 14 -3.406 1.752 6.166 105 H SER 15 H SER 15 5.215 4.283 4.136 106 HA SER 15 HA SER 15 4.094 6.910 3.976 107 1HB SER 15 2HB SER 15 7.019 6.156 3.696 108 2HB SER 15 1HB SER 15 6.376 7.721 4.185 109 HG SER 15 HG SER 15 6.018 5.251 5.548 110 H ALA 16 H ALA 16 6.121 5.070 1.689 111 HA ALA 16 HA ALA 16 6.034 7.168 -0.325 112 1HB ALA 16 1HB ALA 16 6.801 5.108 -1.787 113 2HB ALA 16 2HB ALA 16 7.002 4.327 -0.219 114 3HB ALA 16 3HB ALA 16 7.901 5.798 -0.594 115 H PHE 17 H PHE 17 4.374 4.045 0.149 116 HA PHE 17 HA PHE 17 2.844 4.047 -2.234 117 1HB PHE 17 2HB PHE 17 3.014 2.174 -0.524 118 2HB PHE 17 1HB PHE 17 1.855 3.072 0.458 119 HD1 PHE 17 1HD PHE 17 2.331 1.725 -3.007 120 HD2 PHE 17 2HD PHE 17 -0.445 2.794 0.093 121 HE1 PHE 17 1HE PHE 17 0.467 0.799 -4.356 122 HE2 PHE 17 2HE PHE 17 -2.307 1.867 -1.256 123 HZ PHE 17 HZ PHE 17 -1.852 0.869 -3.480 124 H ALA 18 H ALA 18 2.377 5.771 0.805 125 HA ALA 18 HA ALA 18 -0.314 6.616 0.398 126 1HB ALA 18 1HB ALA 18 0.843 6.923 2.544 127 2HB ALA 18 2HB ALA 18 0.262 8.476 1.942 128 3HB ALA 18 3HB ALA 18 1.969 8.053 1.790 129 H ASN 19 H ASN 19 2.379 7.223 -1.482 130 HA ASN 19 HA ASN 19 1.976 9.978 -2.201 131 1HB ASN 19 2HB ASN 19 3.458 9.523 -4.053 132 2HB ASN 19 1HB ASN 19 4.050 8.616 -2.661 133 1HD2 ASN 19 1HD2 ASN 19 2.274 6.415 -2.663 134 2HD2 ASN 19 2HD2 ASN 19 2.497 5.521 -4.089 135 H LEU 20 H LEU 20 0.534 6.963 -3.322 136 HA LEU 20 HA LEU 20 -0.661 7.994 -5.724 137 1HB LEU 20 2HB LEU 20 -1.823 5.806 -3.990 138 2HB LEU 20 1HB LEU 20 -1.961 5.992 -5.739 139 HG LEU 20 HG LEU 20 0.549 5.328 -4.173 140 1HD1 LEU 20 1HD1 LEU 20 0.424 3.317 -5.766 141 2HD1 LEU 20 2HD1 LEU 20 -1.229 3.829 -6.106 142 3HD1 LEU 20 3HD1 LEU 20 -0.767 3.368 -4.467 143 1HD2 LEU 20 1HD2 LEU 20 0.100 6.120 -7.053 144 2HD2 LEU 20 2HD2 LEU 20 1.469 5.111 -6.588 145 3HD2 LEU 20 3HD2 LEU 20 1.304 6.735 -5.921 146 HA PRO 21 HA PRO 21 -3.997 10.622 -4.501 147 1HB PRO 21 2HB PRO 21 -5.690 8.618 -5.986 148 2HB PRO 21 1HB PRO 21 -5.749 10.394 -6.040 149 1HG PRO 21 2HG PRO 21 -4.552 9.068 -7.973 150 2HG PRO 21 1HG PRO 21 -3.823 10.549 -7.321 151 1HD PRO 21 2HD PRO 21 -2.989 7.707 -6.906 152 2HD PRO 21 1HD PRO 21 -1.994 9.179 -6.945 153 H LEU 22 H LEU 22 -5.475 10.723 -2.810 154 HA LEU 22 HA LEU 22 -5.466 8.732 -0.814 155 1HB LEU 22 2HB LEU 22 -6.069 11.120 -0.457 156 2HB LEU 22 1HB LEU 22 -7.601 10.833 -1.280 157 HG LEU 22 HG LEU 22 -8.121 9.063 0.415 158 1HD1 LEU 22 1HD1 LEU 22 -5.429 9.950 1.393 159 2HD1 LEU 22 2HD1 LEU 22 -6.109 8.325 1.316 160 3HD1 LEU 22 3HD1 LEU 22 -6.634 9.443 2.575 161 1HD2 LEU 22 1HD2 LEU 22 -8.606 10.652 2.247 162 2HD2 LEU 22 2HD2 LEU 22 -8.970 11.367 0.677 163 3HD2 LEU 22 3HD2 LEU 22 -7.494 11.817 1.530 164 H TRP 23 H TRP 23 -7.843 9.280 -3.406 165 HA TRP 23 HA TRP 23 -9.616 7.189 -2.400 166 1HB TRP 23 2HB TRP 23 -10.947 7.638 -4.374 167 2HB TRP 23 1HB TRP 23 -10.407 9.180 -3.709 168 HD1 TRP 23 HD TRP 23 -8.894 10.673 -5.175 169 HE1 TRP 23 1HE TRP 23 -7.935 10.470 -7.560 170 HE3 TRP 23 3HE TRP 23 -10.032 5.797 -6.171 171 HZ2 TRP 23 2HZ TRP 23 -7.685 8.499 -9.618 172 HZ3 TRP 23 3HZ TRP 23 -9.424 4.782 -8.348 173 HH2 TRP 23 HH TRP 23 -8.254 6.126 -10.072 174 H ARG 24 H ARG 24 -7.014 7.382 -4.761 175 HA ARG 24 HA ARG 24 -7.637 4.900 -6.100 176 1HB ARG 24 2HB ARG 24 -6.188 6.678 -7.077 177 2HB ARG 24 1HB ARG 24 -4.958 6.297 -5.870 178 1HG ARG 24 2HG ARG 24 -4.778 4.015 -6.710 179 2HG ARG 24 1HG ARG 24 -6.091 4.302 -7.852 180 1HD ARG 24 2HD ARG 24 -4.528 4.954 -9.337 181 2HD ARG 24 1HD ARG 24 -4.278 6.380 -8.328 182 HE ARG 24 HE ARG 24 -2.702 4.476 -7.111 183 1HH1 ARG 24 1HH2 ARG 24 -3.125 5.625 -10.332 184 2HH1 ARG 24 2HH2 ARG 24 -1.471 5.375 -10.782 185 1HH2 ARG 24 1HH1 ARG 24 -0.538 4.145 -7.677 186 2HH2 ARG 24 2HH1 ARG 24 -0.005 4.538 -9.277 187 H GLN 25 H GLN 25 -5.275 5.706 -3.520 188 HA GLN 25 HA GLN 25 -4.055 3.219 -3.238 189 1HB GLN 25 2HB GLN 25 -3.880 3.787 -0.769 190 2HB GLN 25 1HB GLN 25 -3.295 5.032 -1.874 191 1HG GLN 25 2HG GLN 25 -5.457 6.215 -1.698 192 2HG GLN 25 1HG GLN 25 -6.047 4.973 -0.590 193 1HE2 GLN 25 1HE2 GLN 25 -3.596 7.551 -0.924 194 2HE2 GLN 25 2HE2 GLN 25 -3.331 7.740 0.742 195 H GLN 26 H GLN 26 -7.246 4.197 -1.972 196 HA GLN 26 HA GLN 26 -7.738 1.707 -0.597 197 1HB GLN 26 2HB GLN 26 -9.657 3.745 -1.765 198 2HB GLN 26 1HB GLN 26 -10.149 2.386 -0.754 199 1HG GLN 26 2HG GLN 26 -8.712 3.219 1.072 200 2HG GLN 26 1HG GLN 26 -8.226 4.583 0.063 201 1HE2 GLN 26 1HE2 GLN 26 -9.596 4.944 2.578 202 2HE2 GLN 26 2HE2 GLN 26 -11.123 5.610 2.251 203 H ASN 27 H ASN 27 -8.273 2.854 -3.888 204 HA ASN 27 HA ASN 27 -9.817 0.649 -4.841 205 1HB ASN 27 2HB ASN 27 -9.424 2.838 -6.044 206 2HB ASN 27 1HB ASN 27 -7.800 2.270 -6.426 207 1HD2 ASN 27 1HD2 ASN 27 -11.247 1.268 -6.780 208 2HD2 ASN 27 2HD2 ASN 27 -11.010 0.448 -8.247 209 H LEU 28 H LEU 28 -6.290 1.245 -5.055 210 HA LEU 28 HA LEU 28 -5.691 -1.360 -6.129 211 1HB LEU 28 2HB LEU 28 -3.856 0.471 -4.559 212 2HB LEU 28 1HB LEU 28 -3.371 -0.808 -5.670 213 HG LEU 28 HG LEU 28 -4.870 1.729 -6.388 214 1HD1 LEU 28 1HD1 LEU 28 -2.345 1.790 -5.932 215 2HD1 LEU 28 2HD1 LEU 28 -2.869 2.378 -7.509 216 3HD1 LEU 28 3HD1 LEU 28 -2.172 0.765 -7.357 217 1HD2 LEU 28 1HD2 LEU 28 -4.347 0.753 -8.763 218 2HD2 LEU 28 2HD2 LEU 28 -5.740 0.132 -7.877 219 3HD2 LEU 28 3HD2 LEU 28 -4.236 -0.790 -7.915 220 H ARG 29 H ARG 29 -5.950 -0.096 -2.835 221 HA ARG 29 HA ARG 29 -4.779 -2.486 -1.645 222 1HB ARG 29 2HB ARG 29 -6.255 -0.107 -0.514 223 2HB ARG 29 1HB ARG 29 -5.724 -1.454 0.496 224 1HG ARG 29 2HG ARG 29 -3.403 -1.119 -0.258 225 2HG ARG 29 1HG ARG 29 -3.923 0.215 -1.288 226 1HD ARG 29 2HD ARG 29 -4.171 0.109 1.733 227 2HD ARG 29 1HD ARG 29 -3.009 1.074 0.825 228 HE ARG 29 HE ARG 29 -5.467 1.860 -0.189 229 1HH1 ARG 29 1HH2 ARG 29 -4.010 1.598 2.928 230 2HH1 ARG 29 2HH2 ARG 29 -4.908 2.917 3.602 231 1HH2 ARG 29 1HH1 ARG 29 -6.643 3.579 0.674 232 2HH2 ARG 29 2HH1 ARG 29 -6.399 4.039 2.325 233 H ARG 30 H ARG 30 -8.126 -1.247 -2.004 234 HA ARG 30 HA ARG 30 -9.360 -3.418 -0.609 235 1HB ARG 30 2HB ARG 30 -10.357 -1.566 -2.781 236 2HB ARG 30 1HB ARG 30 -11.385 -2.807 -2.065 237 1HG ARG 30 2HG ARG 30 -10.961 -1.849 0.181 238 2HG ARG 30 1HG ARG 30 -9.966 -0.592 -0.555 239 1HD ARG 30 2HD ARG 30 -12.913 -1.066 -1.091 240 2HD ARG 30 1HD ARG 30 -12.231 0.261 -0.153 241 HE ARG 30 HE ARG 30 -10.969 0.470 -2.612 242 1HH1 ARG 30 1HH2 ARG 30 -14.220 0.262 -1.478 243 2HH1 ARG 30 2HH2 ARG 30 -14.869 1.220 -2.768 244 1HH2 ARG 30 1HH1 ARG 30 -11.798 1.720 -4.298 245 2HH2 ARG 30 2HH1 ARG 30 -13.497 2.046 -4.364 246 H GLU 31 H GLU 31 -8.570 -2.978 -4.059 247 HA GLU 31 HA GLU 31 -9.617 -5.502 -4.938 248 1HB GLU 31 2HB GLU 31 -7.396 -3.746 -6.028 249 2HB GLU 31 1HB GLU 31 -7.994 -5.182 -6.859 250 1HG GLU 31 2HG GLU 31 -10.266 -4.207 -6.897 251 2HG GLU 31 1HG GLU 31 -9.654 -2.765 -6.085 252 H ARG 32 H ARG 32 -6.854 -4.656 -3.081 253 HA ARG 32 HA ARG 32 -5.303 -7.039 -3.783 254 1HB ARG 32 2HB ARG 32 -4.364 -4.770 -3.028 255 2HB ARG 32 1HB ARG 32 -4.840 -5.250 -1.398 256 1HG ARG 32 2HG ARG 32 -2.689 -6.095 -1.432 257 2HG ARG 32 1HG ARG 32 -3.561 -7.487 -2.071 258 1HD ARG 32 2HD ARG 32 -3.160 -6.418 -4.396 259 2HD ARG 32 1HD ARG 32 -1.947 -5.435 -3.578 260 HE ARG 32 HE ARG 32 -1.333 -8.033 -2.817 261 1HH1 ARG 32 1HH2 ARG 32 -1.842 -6.335 -5.774 262 2HH1 ARG 32 2HH2 ARG 32 -0.736 -7.312 -6.681 263 1HH2 ARG 32 1HH1 ARG 32 0.114 -9.319 -3.983 264 2HH2 ARG 32 2HH1 ARG 32 0.372 -9.000 -5.666 265 H GLY 33 H GLY 33 -7.720 -6.196 -1.407 266 1HA GLY 33 2HA GLY 33 -8.904 -7.858 -0.124 267 2HA GLY 33 1HA GLY 33 -7.557 -8.969 -0.371 268 H LEU 34 H LEU 34 -6.162 -6.094 0.429 269 HA LEU 34 HA LEU 34 -5.802 -6.987 3.234 270 1HB LEU 34 2HB LEU 34 -4.402 -4.670 1.890 271 2HB LEU 34 1HB LEU 34 -3.865 -5.609 3.284 272 HG LEU 34 HG LEU 34 -4.144 -6.647 0.447 273 1HD1 LEU 34 1HD1 LEU 34 -2.207 -5.153 0.770 274 2HD1 LEU 34 2HD1 LEU 34 -1.681 -6.824 0.557 275 3HD1 LEU 34 3HD1 LEU 34 -1.704 -6.104 2.167 276 1HD2 LEU 34 1HD2 LEU 34 -3.413 -7.944 3.078 277 2HD2 LEU 34 2HD2 LEU 34 -2.883 -8.622 1.538 278 3HD2 LEU 34 3HD2 LEU 34 -4.605 -8.474 1.892 279 H PHE 35 H PHE 35 -5.884 -3.681 1.900 280 HA PHE 35 HA PHE 35 -6.816 -1.752 2.913 281 1HB PHE 35 2HB PHE 35 -9.237 -1.827 2.899 282 2HB PHE 35 1HB PHE 35 -8.656 -2.783 1.535 283 HD1 PHE 35 1HD PHE 35 -10.140 -2.925 4.918 284 HD2 PHE 35 2HD PHE 35 -8.886 -5.196 1.493 285 HE1 PHE 35 1HE PHE 35 -11.335 -4.912 5.798 286 HE2 PHE 35 2HE PHE 35 -10.081 -7.182 2.373 287 HZ PHE 35 HZ PHE 35 -11.306 -7.040 4.525 Start of MODEL 4 1 1H LEU 1 1HT LEU 1 0.743 -1.682 10.301 2 2H LEU 1 2HT LEU 1 -0.561 -0.969 11.126 3 3H LEU 1 3HT LEU 1 -0.565 -1.044 9.428 4 HA LEU 1 HA LEU 1 -1.356 -3.022 11.358 5 1HB LEU 1 2HB LEU 1 -1.742 -2.955 8.357 6 2HB LEU 1 1HB LEU 1 -2.770 -3.727 9.565 7 HG LEU 1 HG LEU 1 -2.331 -0.747 9.219 8 1HD1 LEU 1 1HD1 LEU 1 -4.736 -2.549 8.800 9 2HD1 LEU 1 2HD1 LEU 1 -3.842 -1.683 7.550 10 3HD1 LEU 1 3HD1 LEU 1 -4.786 -0.787 8.740 11 1HD2 LEU 1 1HD2 LEU 1 -4.227 -0.730 10.990 12 2HD2 LEU 1 2HD2 LEU 1 -2.589 -1.067 11.550 13 3HD2 LEU 1 3HD2 LEU 1 -3.735 -2.389 11.329 14 H SER 2 H SER 2 0.311 -3.229 8.188 15 HA SER 2 HA SER 2 1.981 -5.419 9.297 16 1HB SER 2 2HB SER 2 1.407 -6.979 7.605 17 2HB SER 2 1HB SER 2 -0.138 -6.323 8.136 18 HG SER 2 HG SER 2 -0.038 -4.884 6.363 19 H ASP 3 H ASP 3 3.422 -3.407 9.059 20 HA ASP 3 HA ASP 3 4.126 -2.360 6.507 21 1HB ASP 3 2HB ASP 3 6.190 -1.604 7.575 22 2HB ASP 3 1HB ASP 3 4.842 -1.372 8.688 23 H GLU 4 H GLU 4 5.101 -5.288 8.197 24 HA GLU 4 HA GLU 4 7.293 -5.963 6.449 25 1HB GLU 4 2HB GLU 4 6.725 -6.973 8.755 26 2HB GLU 4 1HB GLU 4 5.549 -7.965 7.892 27 1HG GLU 4 2HG GLU 4 7.571 -9.253 8.012 28 2HG GLU 4 1HG GLU 4 7.440 -8.672 6.352 29 H ASP 5 H ASP 5 3.879 -7.021 6.554 30 HA ASP 5 HA ASP 5 4.104 -8.497 4.060 31 1HB ASP 5 2HB ASP 5 1.587 -7.502 5.427 32 2HB ASP 5 1HB ASP 5 1.714 -8.823 4.264 33 H PHE 6 H PHE 6 2.637 -5.382 4.998 34 HA PHE 6 HA PHE 6 1.625 -4.593 2.500 35 1HB PHE 6 2HB PHE 6 1.267 -3.300 4.563 36 2HB PHE 6 1HB PHE 6 2.975 -2.860 4.593 37 HD1 PHE 6 1HD PHE 6 -0.285 -2.155 3.157 38 HD2 PHE 6 2HD PHE 6 3.934 -1.469 2.725 39 HE1 PHE 6 1HE PHE 6 -0.750 -0.239 1.652 40 HE2 PHE 6 2HE PHE 6 3.467 0.446 1.219 41 HZ PHE 6 HZ PHE 6 1.125 1.061 0.683 42 H ARG 7 H ARG 7 4.834 -3.675 3.813 43 HA ARG 7 HA ARG 7 5.856 -2.447 1.517 44 1HB ARG 7 2HB ARG 7 6.993 -2.537 3.743 45 2HB ARG 7 1HB ARG 7 7.426 -4.216 3.419 46 1HG ARG 7 2HG ARG 7 8.652 -3.506 1.394 47 2HG ARG 7 1HG ARG 7 8.228 -1.827 1.729 48 1HD ARG 7 2HD ARG 7 9.302 -2.691 4.132 49 2HD ARG 7 1HD ARG 7 10.311 -3.498 2.935 50 HE ARG 7 HE ARG 7 10.550 -0.778 3.583 51 1HH1 ARG 7 1HH2 ARG 7 9.945 -2.737 0.811 52 2HH1 ARG 7 2HH2 ARG 7 10.690 -1.632 -0.295 53 1HH2 ARG 7 1HH1 ARG 7 11.524 0.673 2.157 54 2HH2 ARG 7 2HH1 ARG 7 11.585 0.298 0.466 55 H ALA 8 H ALA 8 5.689 -5.906 2.265 56 HA ALA 8 HA ALA 8 7.254 -6.774 0.010 57 1HB ALA 8 1HB ALA 8 6.698 -8.167 2.032 58 2HB ALA 8 2HB ALA 8 6.387 -8.982 0.500 59 3HB ALA 8 3HB ALA 8 5.049 -8.298 1.424 60 H VAL 9 H VAL 9 3.878 -5.879 0.392 61 HA VAL 9 HA VAL 9 2.943 -7.142 -2.024 62 HB VAL 9 HB VAL 9 1.835 -4.826 -0.421 63 1HG1 VAL 9 1HG1 VAL 9 0.914 -4.597 -2.607 64 2HG1 VAL 9 2HG1 VAL 9 -0.302 -5.481 -1.684 65 3HG1 VAL 9 3HG1 VAL 9 0.755 -6.342 -2.804 66 1HG2 VAL 9 1HG2 VAL 9 0.449 -6.438 0.618 67 2HG2 VAL 9 2HG2 VAL 9 2.025 -7.228 0.543 68 3HG2 VAL 9 3HG2 VAL 9 0.772 -7.645 -0.628 69 1HN PF5 10 H PF5 10 3.890 -3.739 -1.351 70 HA PF5 10 HA PF5 10 3.843 -3.293 -4.298 71 1HB PF5 10 1HB PF5 10 3.705 -0.937 -3.794 72 2HB PF5 10 2HB PF5 10 4.075 -1.232 -2.090 73 H GLY 11 H GLY 11 6.016 -3.641 -1.640 74 1HA GLY 11 2HA GLY 11 8.376 -3.951 -1.888 75 2HA GLY 11 1HA GLY 11 8.273 -3.240 -3.499 76 H MET 12 H MET 12 6.592 -1.439 -1.149 77 HA MET 12 HA MET 12 8.944 0.238 -0.494 78 1HB MET 12 2HB MET 12 7.716 2.296 -1.232 79 2HB MET 12 1HB MET 12 8.150 1.230 -2.569 80 1HG MET 12 2HG MET 12 5.889 0.276 -2.572 81 2HG MET 12 1HG MET 12 5.447 1.284 -1.193 82 1HE MET 12 1HE MET 12 5.943 2.410 -5.576 83 2HE MET 12 2HE MET 12 5.742 0.823 -4.838 84 3HE MET 12 3HE MET 12 7.282 1.667 -4.690 85 H THR 13 H THR 13 8.353 1.905 1.171 86 HA THR 13 HA THR 13 6.620 0.711 3.185 87 HB THR 13 HB THR 13 7.195 2.935 4.394 88 HG1 THR 13 1HG THR 13 7.943 3.598 2.053 89 1HG2 THR 13 1HG2 THR 13 8.306 0.786 4.857 90 2HG2 THR 13 2HG2 THR 13 9.463 2.116 4.913 91 3HG2 THR 13 3HG2 THR 13 9.403 1.058 3.503 92 H ARG 14 H ARG 14 4.780 1.859 4.167 93 HA ARG 14 HA ARG 14 2.841 2.734 2.317 94 1HB ARG 14 2HB ARG 14 3.085 3.363 5.273 95 2HB ARG 14 1HB ARG 14 1.641 3.665 4.307 96 1HG ARG 14 2HG ARG 14 1.603 1.226 3.710 97 2HG ARG 14 1HG ARG 14 2.935 0.976 4.839 98 1HD ARG 14 2HD ARG 14 1.474 2.028 6.635 99 2HD ARG 14 1HD ARG 14 0.146 1.967 5.485 100 HE ARG 14 HE ARG 14 1.152 -0.630 5.521 101 1HH1 ARG 14 1HH2 ARG 14 0.041 1.654 7.865 102 2HH1 ARG 14 2HH2 ARG 14 -0.597 0.446 8.931 103 1HH2 ARG 14 1HH1 ARG 14 0.328 -2.213 6.907 104 2HH2 ARG 14 2HH1 ARG 14 -0.435 -1.739 8.387 105 H SER 15 H SER 15 5.414 4.525 3.885 106 HA SER 15 HA SER 15 4.414 7.163 3.633 107 1HB SER 15 2HB SER 15 6.581 6.493 4.753 108 2HB SER 15 1HB SER 15 7.286 6.320 3.148 109 HG SER 15 HG SER 15 6.132 8.627 3.090 110 H ALA 16 H ALA 16 6.229 5.190 1.279 111 HA ALA 16 HA ALA 16 6.065 7.224 -0.795 112 1HB ALA 16 1HB ALA 16 6.535 4.283 -1.282 113 2HB ALA 16 2HB ALA 16 7.788 5.301 -0.572 114 3HB ALA 16 3HB ALA 16 7.167 5.660 -2.184 115 H PHE 17 H PHE 17 4.366 4.155 -0.134 116 HA PHE 17 HA PHE 17 2.668 4.169 -2.407 117 1HB PHE 17 2HB PHE 17 2.957 2.322 -0.646 118 2HB PHE 17 1HB PHE 17 1.802 3.229 0.333 119 HD1 PHE 17 1HD PHE 17 2.247 1.768 -3.086 120 HD2 PHE 17 2HD PHE 17 -0.505 2.948 -0.006 121 HE1 PHE 17 1HE PHE 17 0.374 0.786 -4.382 122 HE2 PHE 17 2HE PHE 17 -2.377 1.966 -1.303 123 HZ PHE 17 HZ PHE 17 -1.938 0.885 -3.491 124 H ALA 18 H ALA 18 2.366 5.806 0.722 125 HA ALA 18 HA ALA 18 -0.299 6.734 0.476 126 1HB ALA 18 1HB ALA 18 0.521 8.669 1.913 127 2HB ALA 18 2HB ALA 18 2.138 7.982 1.771 128 3HB ALA 18 3HB ALA 18 0.854 7.063 2.558 129 H ASN 19 H ASN 19 2.415 7.441 -1.440 130 HA ASN 19 HA ASN 19 1.904 10.158 -2.164 131 1HB ASN 19 2HB ASN 19 3.159 7.910 -3.769 132 2HB ASN 19 1HB ASN 19 3.228 9.619 -4.204 133 1HD2 ASN 19 1HD2 ASN 19 5.586 8.027 -3.586 134 2HD2 ASN 19 2HD2 ASN 19 6.282 8.677 -2.181 135 H LEU 20 H LEU 20 0.466 7.128 -3.235 136 HA LEU 20 HA LEU 20 -0.826 8.221 -5.590 137 1HB LEU 20 2HB LEU 20 -1.710 5.822 -3.966 138 2HB LEU 20 1HB LEU 20 -2.023 6.135 -5.673 139 HG LEU 20 HG LEU 20 0.716 5.688 -4.447 140 1HD1 LEU 20 1HD1 LEU 20 -0.359 3.581 -4.468 141 2HD1 LEU 20 2HD1 LEU 20 0.539 3.613 -5.985 142 3HD1 LEU 20 3HD1 LEU 20 -1.197 3.927 -5.980 143 1HD2 LEU 20 1HD2 LEU 20 1.060 7.065 -6.327 144 2HD2 LEU 20 2HD2 LEU 20 -0.271 6.334 -7.223 145 3HD2 LEU 20 3HD2 LEU 20 1.232 5.440 -6.992 146 HA PRO 21 HA PRO 21 -4.301 10.482 -4.073 147 1HB PRO 21 2HB PRO 21 -5.910 8.502 -5.673 148 2HB PRO 21 1HB PRO 21 -6.068 10.270 -5.593 149 1HG PRO 21 2HG PRO 21 -4.859 9.174 -7.649 150 2HG PRO 21 1HG PRO 21 -4.176 10.626 -6.892 151 1HD PRO 21 2HD PRO 21 -3.227 7.789 -6.711 152 2HD PRO 21 1HD PRO 21 -2.284 9.295 -6.706 153 H LEU 22 H LEU 22 -5.452 10.345 -2.196 154 HA LEU 22 HA LEU 22 -5.368 8.154 -0.472 155 1HB LEU 22 2HB LEU 22 -5.992 10.465 0.188 156 2HB LEU 22 1HB LEU 22 -7.559 10.247 -0.592 157 HG LEU 22 HG LEU 22 -7.983 8.293 0.912 158 1HD1 LEU 22 1HD1 LEU 22 -5.926 7.474 1.618 159 2HD1 LEU 22 2HD1 LEU 22 -6.392 8.431 3.024 160 3HD1 LEU 22 3HD1 LEU 22 -5.250 9.087 1.853 161 1HD2 LEU 22 1HD2 LEU 22 -7.366 10.982 2.166 162 2HD2 LEU 22 2HD2 LEU 22 -8.229 9.698 3.011 163 3HD2 LEU 22 3HD2 LEU 22 -8.923 10.418 1.559 164 H TRP 23 H TRP 23 -8.054 9.009 -2.680 165 HA TRP 23 HA TRP 23 -9.691 6.775 -1.887 166 1HB TRP 23 2HB TRP 23 -11.081 7.354 -3.771 167 2HB TRP 23 1HB TRP 23 -10.506 8.858 -3.053 168 HD1 TRP 23 HD TRP 23 -8.944 10.378 -4.466 169 HE1 TRP 23 1HE TRP 23 -8.109 10.299 -6.904 170 HE3 TRP 23 3HE TRP 23 -10.373 5.643 -5.733 171 HZ2 TRP 23 2HZ TRP 23 -8.054 8.468 -9.101 172 HZ3 TRP 23 3HZ TRP 23 -9.918 4.757 -8.002 173 HH2 TRP 23 HH TRP 23 -8.762 6.162 -9.687 174 H ARG 24 H ARG 24 -7.383 7.241 -4.562 175 HA ARG 24 HA ARG 24 -7.903 4.790 -5.909 176 1HB ARG 24 2HB ARG 24 -6.525 6.630 -6.848 177 2HB ARG 24 1HB ARG 24 -5.257 6.251 -5.681 178 1HG ARG 24 2HG ARG 24 -5.033 3.997 -6.604 179 2HG ARG 24 1HG ARG 24 -6.359 4.303 -7.728 180 1HD ARG 24 2HD ARG 24 -4.846 5.093 -9.193 181 2HD ARG 24 1HD ARG 24 -4.560 6.439 -8.086 182 HE ARG 24 HE ARG 24 -2.971 4.455 -7.042 183 1HH1 ARG 24 1HH2 ARG 24 -3.471 5.783 -10.183 184 2HH1 ARG 24 2HH2 ARG 24 -1.833 5.540 -10.693 185 1HH2 ARG 24 1HH1 ARG 24 -0.828 4.129 -7.689 186 2HH2 ARG 24 2HH1 ARG 24 -0.337 4.605 -9.281 187 H GLN 25 H GLN 25 -5.633 5.503 -3.241 188 HA GLN 25 HA GLN 25 -4.266 3.062 -3.152 189 1HB GLN 25 2HB GLN 25 -5.227 4.754 -0.831 190 2HB GLN 25 1HB GLN 25 -4.043 3.454 -0.695 191 1HG GLN 25 2HG GLN 25 -2.511 4.598 -2.180 192 2HG GLN 25 1HG GLN 25 -3.719 5.828 -2.554 193 1HE2 GLN 25 1HE2 GLN 25 -2.142 7.453 -1.702 194 2HE2 GLN 25 2HE2 GLN 25 -1.988 7.670 -0.026 195 H GLN 26 H GLN 26 -7.486 3.797 -1.776 196 HA GLN 26 HA GLN 26 -7.880 1.213 -0.592 197 1HB GLN 26 2HB GLN 26 -9.905 3.176 -1.712 198 2HB GLN 26 1HB GLN 26 -10.314 1.762 -0.740 199 1HG GLN 26 2HG GLN 26 -8.395 3.897 0.216 200 2HG GLN 26 1HG GLN 26 -10.128 3.960 0.540 201 1HE2 GLN 26 1HE2 GLN 26 -10.951 2.615 2.208 202 2HE2 GLN 26 2HE2 GLN 26 -9.994 1.534 3.102 203 H ASN 27 H ASN 27 -8.474 2.505 -3.826 204 HA ASN 27 HA ASN 27 -9.847 0.257 -4.919 205 1HB ASN 27 2HB ASN 27 -9.537 2.558 -5.976 206 2HB ASN 27 1HB ASN 27 -7.911 2.040 -6.422 207 1HD2 ASN 27 1HD2 ASN 27 -9.478 2.603 -8.573 208 2HD2 ASN 27 2HD2 ASN 27 -10.047 1.190 -9.322 209 H LEU 28 H LEU 28 -6.363 1.076 -4.992 210 HA LEU 28 HA LEU 28 -5.613 -1.457 -6.187 211 1HB LEU 28 2HB LEU 28 -3.873 0.473 -4.627 212 2HB LEU 28 1HB LEU 28 -3.326 -0.752 -5.769 213 HG LEU 28 HG LEU 28 -4.995 1.698 -6.403 214 1HD1 LEU 28 1HD1 LEU 28 -3.056 2.396 -7.678 215 2HD1 LEU 28 2HD1 LEU 28 -2.249 0.858 -7.373 216 3HD1 LEU 28 3HD1 LEU 28 -2.516 1.991 -6.048 217 1HD2 LEU 28 1HD2 LEU 28 -5.834 0.077 -7.883 218 2HD2 LEU 28 2HD2 LEU 28 -4.286 -0.760 -7.992 219 3HD2 LEU 28 3HD2 LEU 28 -4.510 0.785 -8.809 220 H ARG 29 H ARG 29 -5.892 -0.263 -2.869 221 HA ARG 29 HA ARG 29 -4.533 -2.583 -1.741 222 1HB ARG 29 2HB ARG 29 -6.161 -0.342 -0.534 223 2HB ARG 29 1HB ARG 29 -5.486 -1.654 0.434 224 1HG ARG 29 2HG ARG 29 -3.228 -1.110 -0.371 225 2HG ARG 29 1HG ARG 29 -3.887 0.182 -1.375 226 1HD ARG 29 2HD ARG 29 -4.111 0.045 1.647 227 2HD ARG 29 1HD ARG 29 -2.968 1.051 0.760 228 HE ARG 29 HE ARG 29 -5.441 1.752 -0.288 229 1HH1 ARG 29 1HH2 ARG 29 -4.000 1.552 2.841 230 2HH1 ARG 29 2HH2 ARG 29 -4.946 2.844 3.502 231 1HH2 ARG 29 1HH1 ARG 29 -6.679 3.436 0.557 232 2HH2 ARG 29 2HH1 ARG 29 -6.463 3.911 2.209 233 H ARG 30 H ARG 30 -7.971 -1.556 -1.933 234 HA ARG 30 HA ARG 30 -8.979 -3.898 -0.618 235 1HB ARG 30 2HB ARG 30 -10.309 -1.812 -1.038 236 2HB ARG 30 1HB ARG 30 -10.386 -2.253 -2.745 237 1HG ARG 30 2HG ARG 30 -11.556 -4.316 -2.213 238 2HG ARG 30 1HG ARG 30 -11.354 -4.027 -0.484 239 1HD ARG 30 2HD ARG 30 -12.865 -2.169 -2.342 240 2HD ARG 30 1HD ARG 30 -13.631 -3.404 -1.345 241 HE ARG 30 HE ARG 30 -12.118 -1.947 0.460 242 1HH1 ARG 30 1HH2 ARG 30 -14.478 -1.246 -1.956 243 2HH1 ARG 30 2HH2 ARG 30 -15.111 0.135 -1.125 244 1HH2 ARG 30 1HH1 ARG 30 -12.931 -0.151 1.557 245 2HH2 ARG 30 2HH1 ARG 30 -14.235 0.755 0.865 246 H GLU 31 H GLU 31 -8.146 -3.207 -3.985 247 HA GLU 31 HA GLU 31 -9.273 -5.529 -5.190 248 1HB GLU 31 2HB GLU 31 -8.232 -3.578 -6.411 249 2HB GLU 31 1HB GLU 31 -6.649 -4.201 -5.944 250 1HG GLU 31 2HG GLU 31 -7.207 -6.354 -7.077 251 2HG GLU 31 1HG GLU 31 -8.724 -5.639 -7.621 252 H ARG 32 H ARG 32 -6.495 -5.095 -3.140 253 HA ARG 32 HA ARG 32 -5.606 -7.882 -3.716 254 1HB ARG 32 2HB ARG 32 -4.175 -5.581 -2.361 255 2HB ARG 32 1HB ARG 32 -3.503 -7.200 -2.563 256 1HG ARG 32 2HG ARG 32 -3.895 -6.941 -5.053 257 2HG ARG 32 1HG ARG 32 -4.279 -5.248 -4.742 258 1HD ARG 32 2HD ARG 32 -2.062 -4.902 -3.752 259 2HD ARG 32 1HD ARG 32 -1.675 -6.606 -3.987 260 HE ARG 32 HE ARG 32 -2.350 -5.690 -6.527 261 1HH1 ARG 32 1HH2 ARG 32 -0.154 -4.812 -4.019 262 2HH1 ARG 32 2HH2 ARG 32 1.049 -4.199 -5.104 263 1HH2 ARG 32 1HH1 ARG 32 -0.793 -4.895 -7.958 264 2HH2 ARG 32 2HH1 ARG 32 0.687 -4.246 -7.335 265 H GLY 33 H GLY 33 -7.707 -6.511 -1.674 266 1HA GLY 33 2HA GLY 33 -8.644 -7.438 0.298 267 2HA GLY 33 1HA GLY 33 -7.335 -8.619 0.319 268 H LEU 34 H LEU 34 -6.613 -5.206 0.078 269 HA LEU 34 HA LEU 34 -5.720 -5.265 2.936 270 1HB LEU 34 2HB LEU 34 -4.347 -3.839 0.638 271 2HB LEU 34 1HB LEU 34 -3.784 -3.925 2.307 272 HG LEU 34 HG LEU 34 -4.187 -6.333 0.511 273 1HD1 LEU 34 1HD1 LEU 34 -2.305 -4.697 -0.107 274 2HD1 LEU 34 2HD1 LEU 34 -1.829 -6.371 0.182 275 3HD1 LEU 34 3HD1 LEU 34 -1.560 -5.150 1.426 276 1HD2 LEU 34 1HD2 LEU 34 -2.633 -7.270 2.410 277 2HD2 LEU 34 2HD2 LEU 34 -4.363 -7.115 2.714 278 3HD2 LEU 34 3HD2 LEU 34 -3.246 -5.901 3.337 279 H PHE 35 H PHE 35 -5.759 -3.170 4.012 280 HA PHE 35 HA PHE 35 -6.838 -0.817 2.744 281 1HB PHE 35 2HB PHE 35 -9.066 -0.809 3.689 282 2HB PHE 35 1HB PHE 35 -8.867 -2.314 2.792 283 HD1 PHE 35 1HD PHE 35 -9.288 -0.796 6.091 284 HD2 PHE 35 2HD PHE 35 -8.459 -4.450 3.992 285 HE1 PHE 35 1HE PHE 35 -9.779 -2.089 8.149 286 HE2 PHE 35 2HE PHE 35 -8.951 -5.744 6.050 287 HZ PHE 35 HZ PHE 35 -9.611 -4.564 8.129 Start of MODEL 5 1 1H LEU 1 1HT LEU 1 -0.162 0.370 9.346 2 2H LEU 1 2HT LEU 1 0.118 -0.829 8.175 3 3H LEU 1 3HT LEU 1 1.425 -0.110 8.990 4 HA LEU 1 HA LEU 1 0.632 -1.057 11.091 5 1HB LEU 1 2HB LEU 1 -1.255 -2.657 9.350 6 2HB LEU 1 1HB LEU 1 -1.189 -2.603 11.112 7 HG LEU 1 HG LEU 1 -1.980 -0.320 9.279 8 1HD1 LEU 1 1HD1 LEU 1 -3.566 -1.912 11.320 9 2HD1 LEU 1 2HD1 LEU 1 -3.697 -2.087 9.569 10 3HD1 LEU 1 3HD1 LEU 1 -4.181 -0.578 10.344 11 1HD2 LEU 1 1HD2 LEU 1 -0.886 0.695 11.117 12 2HD2 LEU 1 2HD2 LEU 1 -1.496 -0.507 12.254 13 3HD2 LEU 1 3HD2 LEU 1 -2.588 0.705 11.583 14 H SER 2 H SER 2 0.104 -3.332 8.396 15 HA SER 2 HA SER 2 2.322 -4.984 9.362 16 1HB SER 2 2HB SER 2 0.934 -5.439 6.738 17 2HB SER 2 1HB SER 2 1.546 -6.621 7.891 18 HG SER 2 HG SER 2 -0.749 -4.969 8.094 19 H ASP 3 H ASP 3 3.772 -2.946 8.929 20 HA ASP 3 HA ASP 3 4.468 -2.146 6.303 21 1HB ASP 3 2HB ASP 3 6.252 -2.393 8.746 22 2HB ASP 3 1HB ASP 3 6.655 -1.491 7.285 23 H GLU 4 H GLU 4 5.383 -4.985 8.173 24 HA GLU 4 HA GLU 4 7.497 -5.869 6.427 25 1HB GLU 4 2HB GLU 4 6.962 -6.702 8.800 26 2HB GLU 4 1HB GLU 4 5.700 -7.681 8.050 27 1HG GLU 4 2HG GLU 4 7.657 -9.069 8.195 28 2HG GLU 4 1HG GLU 4 7.483 -8.606 6.502 29 H ASP 5 H ASP 5 4.074 -6.876 6.707 30 HA ASP 5 HA ASP 5 4.193 -8.443 4.261 31 1HB ASP 5 2HB ASP 5 1.779 -7.407 5.781 32 2HB ASP 5 1HB ASP 5 1.768 -8.679 4.559 33 H PHE 6 H PHE 6 2.746 -5.301 5.144 34 HA PHE 6 HA PHE 6 1.647 -4.595 2.661 35 1HB PHE 6 2HB PHE 6 1.373 -3.228 4.690 36 2HB PHE 6 1HB PHE 6 3.081 -2.794 4.639 37 HD1 PHE 6 1HD PHE 6 -0.230 -2.111 3.323 38 HD2 PHE 6 2HD PHE 6 3.970 -1.489 2.669 39 HE1 PHE 6 1HE PHE 6 -0.747 -0.248 1.769 40 HE2 PHE 6 2HE PHE 6 3.451 0.375 1.115 41 HZ PHE 6 HZ PHE 6 1.093 0.995 0.666 42 H ARG 7 H ARG 7 4.907 -3.645 3.815 43 HA ARG 7 HA ARG 7 5.842 -2.499 1.442 44 1HB ARG 7 2HB ARG 7 7.063 -2.522 3.626 45 2HB ARG 7 1HB ARG 7 7.483 -4.210 3.336 46 1HG ARG 7 2HG ARG 7 8.627 -3.563 1.242 47 2HG ARG 7 1HG ARG 7 8.219 -1.874 1.546 48 1HD ARG 7 2HD ARG 7 9.386 -2.666 3.927 49 2HD ARG 7 1HD ARG 7 10.345 -3.517 2.718 50 HE ARG 7 HE ARG 7 10.617 -0.777 3.267 51 1HH1 ARG 7 1HH2 ARG 7 9.897 -2.823 0.587 52 2HH1 ARG 7 2HH2 ARG 7 10.602 -1.757 -0.584 53 1HH2 ARG 7 1HH1 ARG 7 11.540 0.622 1.757 54 2HH2 ARG 7 2HH1 ARG 7 11.532 0.193 0.078 55 H ALA 8 H ALA 8 5.691 -5.930 2.309 56 HA ALA 8 HA ALA 8 7.178 -6.894 0.048 57 1HB ALA 8 1HB ALA 8 6.266 -9.065 0.613 58 2HB ALA 8 2HB ALA 8 4.972 -8.328 1.557 59 3HB ALA 8 3HB ALA 8 6.643 -8.223 2.114 60 H VAL 9 H VAL 9 3.814 -5.951 0.473 61 HA VAL 9 HA VAL 9 2.828 -7.253 -1.902 62 HB VAL 9 HB VAL 9 1.765 -4.899 -0.322 63 1HG1 VAL 9 1HG1 VAL 9 0.809 -4.701 -2.498 64 2HG1 VAL 9 2HG1 VAL 9 -0.398 -5.555 -1.536 65 3HG1 VAL 9 3HG1 VAL 9 0.631 -6.448 -2.658 66 1HG2 VAL 9 1HG2 VAL 9 0.736 -7.741 -0.464 67 2HG2 VAL 9 2HG2 VAL 9 0.337 -6.501 0.724 68 3HG2 VAL 9 3HG2 VAL 9 1.938 -7.240 0.724 69 1HN PF5 10 H PF5 10 3.859 -3.862 -1.308 70 HA PF5 10 HA PF5 10 3.752 -3.466 -4.262 71 1HB PF5 10 1HB PF5 10 3.614 -1.106 -3.812 72 2HB PF5 10 2HB PF5 10 4.033 -1.354 -2.112 73 H GLY 11 H GLY 11 5.954 -3.738 -1.613 74 1HA GLY 11 2HA GLY 11 8.311 -4.056 -1.866 75 2HA GLY 11 1HA GLY 11 8.194 -3.421 -3.507 76 H MET 12 H MET 12 6.564 -1.546 -1.151 77 HA MET 12 HA MET 12 8.923 0.188 -0.685 78 1HB MET 12 2HB MET 12 7.581 2.200 -1.391 79 2HB MET 12 1HB MET 12 8.000 1.121 -2.722 80 1HG MET 12 2HG MET 12 5.788 0.097 -2.647 81 2HG MET 12 1HG MET 12 5.360 1.060 -1.232 82 1HE MET 12 1HE MET 12 6.680 0.949 -4.643 83 2HE MET 12 2HE MET 12 6.119 2.376 -5.510 84 3HE MET 12 3HE MET 12 4.999 1.057 -5.181 85 H THR 13 H THR 13 8.419 1.876 0.975 86 HA THR 13 HA THR 13 6.850 0.717 3.132 87 HB THR 13 HB THR 13 7.441 2.971 4.245 88 HG1 THR 13 1HG THR 13 8.797 3.121 1.773 89 1HG2 THR 13 1HG2 THR 13 8.691 0.848 4.582 90 2HG2 THR 13 2HG2 THR 13 9.747 2.260 4.628 91 3HG2 THR 13 3HG2 THR 13 9.695 1.244 3.187 92 H ARG 14 H ARG 14 4.998 1.749 4.148 93 HA ARG 14 HA ARG 14 2.960 2.584 2.385 94 1HB ARG 14 2HB ARG 14 3.279 3.178 5.342 95 2HB ARG 14 1HB ARG 14 1.789 3.409 4.428 96 1HG ARG 14 2HG ARG 14 1.912 0.965 3.784 97 2HG ARG 14 1HG ARG 14 3.238 0.798 4.936 98 1HD ARG 14 2HD ARG 14 1.225 0.181 6.115 99 2HD ARG 14 1HD ARG 14 1.695 1.771 6.702 100 HE ARG 14 HE ARG 14 -0.038 2.284 4.577 101 1HH1 ARG 14 1HH2 ARG 14 -0.116 0.434 7.494 102 2HH1 ARG 14 2HH2 ARG 14 -1.814 0.669 7.750 103 1HH2 ARG 14 1HH1 ARG 14 -2.253 2.588 4.897 104 2HH2 ARG 14 2HH1 ARG 14 -3.020 1.888 6.282 105 H SER 15 H SER 15 5.506 4.445 3.928 106 HA SER 15 HA SER 15 4.378 7.044 3.723 107 1HB SER 15 2HB SER 15 7.287 6.294 3.299 108 2HB SER 15 1HB SER 15 6.670 7.878 3.758 109 HG SER 15 HG SER 15 6.335 5.478 5.244 110 H ALA 16 H ALA 16 6.215 5.131 1.348 111 HA ALA 16 HA ALA 16 6.052 7.191 -0.700 112 1HB ALA 16 1HB ALA 16 7.131 5.626 -2.121 113 2HB ALA 16 2HB ALA 16 6.528 4.250 -1.196 114 3HB ALA 16 3HB ALA 16 7.783 5.287 -0.518 115 H PHE 17 H PHE 17 4.354 4.113 -0.077 116 HA PHE 17 HA PHE 17 2.644 4.182 -2.346 117 1HB PHE 17 2HB PHE 17 2.969 2.290 -0.624 118 2HB PHE 17 1HB PHE 17 1.782 3.148 0.360 119 HD1 PHE 17 1HD PHE 17 2.313 1.744 -3.069 120 HD2 PHE 17 2HD PHE 17 -0.520 2.874 -0.043 121 HE1 PHE 17 1HE PHE 17 0.479 0.758 -4.417 122 HE2 PHE 17 2HE PHE 17 -2.353 1.889 -1.392 123 HZ PHE 17 HZ PHE 17 -1.854 0.831 -3.579 124 H ALA 18 H ALA 18 2.376 5.730 0.828 125 HA ALA 18 HA ALA 18 -0.305 6.639 0.641 126 1HB ALA 18 1HB ALA 18 0.411 8.440 2.203 127 2HB ALA 18 2HB ALA 18 2.094 7.999 1.908 128 3HB ALA 18 3HB ALA 18 1.010 6.857 2.703 129 H ASN 19 H ASN 19 2.477 7.531 -1.164 130 HA ASN 19 HA ASN 19 1.870 10.228 -1.834 131 1HB ASN 19 2HB ASN 19 3.205 8.088 -3.521 132 2HB ASN 19 1HB ASN 19 3.259 9.821 -3.846 133 1HD2 ASN 19 1HD2 ASN 19 3.216 9.473 -0.514 134 2HD2 ASN 19 2HD2 ASN 19 4.886 9.514 -0.219 135 H LEU 20 H LEU 20 0.624 7.178 -3.124 136 HA LEU 20 HA LEU 20 -0.682 8.277 -5.435 137 1HB LEU 20 2HB LEU 20 -1.478 5.853 -3.794 138 2HB LEU 20 1HB LEU 20 -1.959 6.189 -5.457 139 HG LEU 20 HG LEU 20 0.903 5.814 -4.529 140 1HD1 LEU 20 1HD1 LEU 20 -0.093 3.674 -4.398 141 2HD1 LEU 20 2HD1 LEU 20 0.618 3.709 -6.012 142 3HD1 LEU 20 3HD1 LEU 20 -1.115 3.969 -5.805 143 1HD2 LEU 20 1HD2 LEU 20 -0.419 6.439 -7.157 144 2HD2 LEU 20 2HD2 LEU 20 1.081 5.513 -7.138 145 3HD2 LEU 20 3HD2 LEU 20 1.039 7.138 -6.454 146 HA PRO 21 HA PRO 21 -4.185 10.539 -3.974 147 1HB PRO 21 2HB PRO 21 -5.752 8.585 -5.647 148 2HB PRO 21 1HB PRO 21 -5.907 10.353 -5.547 149 1HG PRO 21 2HG PRO 21 -4.641 9.278 -7.583 150 2HG PRO 21 1HG PRO 21 -3.981 10.721 -6.790 151 1HD PRO 21 2HD PRO 21 -3.035 7.884 -6.615 152 2HD PRO 21 1HD PRO 21 -2.094 9.390 -6.564 153 H LEU 22 H LEU 22 -5.553 10.382 -2.222 154 HA LEU 22 HA LEU 22 -5.481 8.143 -0.506 155 1HB LEU 22 2HB LEU 22 -7.574 10.330 -0.657 156 2HB LEU 22 1HB LEU 22 -7.312 9.261 0.721 157 HG LEU 22 HG LEU 22 -5.256 11.172 -0.432 158 1HD1 LEU 22 1HD1 LEU 22 -7.075 12.335 0.755 159 2HD1 LEU 22 2HD1 LEU 22 -5.585 12.393 1.698 160 3HD1 LEU 22 3HD1 LEU 22 -6.865 11.264 2.140 161 1HD2 LEU 22 1HD2 LEU 22 -4.255 10.502 1.941 162 2HD2 LEU 22 2HD2 LEU 22 -3.959 9.499 0.522 163 3HD2 LEU 22 3HD2 LEU 22 -5.210 9.044 1.677 164 H TRP 23 H TRP 23 -7.941 9.030 -2.923 165 HA TRP 23 HA TRP 23 -9.725 6.868 -2.188 166 1HB TRP 23 2HB TRP 23 -10.991 7.491 -4.141 167 2HB TRP 23 1HB TRP 23 -10.402 8.979 -3.399 168 HD1 TRP 23 HD TRP 23 -8.853 10.490 -4.794 169 HE1 TRP 23 1HE TRP 23 -7.844 10.346 -7.162 170 HE3 TRP 23 3HE TRP 23 -10.052 5.669 -5.973 171 HZ2 TRP 23 2HZ TRP 23 -7.580 8.438 -9.277 172 HZ3 TRP 23 3HZ TRP 23 -9.412 4.715 -8.168 173 HH2 TRP 23 HH TRP 23 -8.179 6.091 -9.821 174 H ARG 24 H ARG 24 -7.010 7.167 -4.397 175 HA ARG 24 HA ARG 24 -7.613 4.766 -5.905 176 1HB ARG 24 2HB ARG 24 -6.152 6.595 -6.761 177 2HB ARG 24 1HB ARG 24 -4.947 6.159 -5.547 178 1HG ARG 24 2HG ARG 24 -4.745 3.919 -6.495 179 2HG ARG 24 1HG ARG 24 -6.027 4.266 -7.656 180 1HD ARG 24 2HD ARG 24 -4.455 5.040 -9.066 181 2HD ARG 24 1HD ARG 24 -4.162 6.362 -7.933 182 HE ARG 24 HE ARG 24 -2.666 4.300 -6.882 183 1HH1 ARG 24 1HH2 ARG 24 -3.021 5.745 -9.991 184 2HH1 ARG 24 2HH2 ARG 24 -1.373 5.477 -10.452 185 1HH2 ARG 24 1HH1 ARG 24 -0.510 3.942 -7.464 186 2HH2 ARG 24 2HH1 ARG 24 0.049 4.456 -9.020 187 H GLN 25 H GLN 25 -5.266 5.448 -3.274 188 HA GLN 25 HA GLN 25 -4.092 2.927 -3.076 189 1HB GLN 25 2HB GLN 25 -3.954 3.419 -0.567 190 2HB GLN 25 1HB GLN 25 -3.266 4.634 -1.646 191 1HG GLN 25 2HG GLN 25 -5.346 5.954 -1.507 192 2HG GLN 25 1HG GLN 25 -6.050 4.739 -0.438 193 1HE2 GLN 25 1HE2 GLN 25 -3.400 7.130 -0.656 194 2HE2 GLN 25 2HE2 GLN 25 -3.187 7.286 1.021 195 H GLN 26 H GLN 26 -7.208 3.946 -1.627 196 HA GLN 26 HA GLN 26 -7.778 1.419 -0.397 197 1HB GLN 26 2HB GLN 26 -9.668 3.519 -1.504 198 2HB GLN 26 1HB GLN 26 -10.165 2.157 -0.501 199 1HG GLN 26 2HG GLN 26 -8.667 2.950 1.304 200 2HG GLN 26 1HG GLN 26 -8.208 4.329 0.305 201 1HE2 GLN 26 1HE2 GLN 26 -9.417 4.854 2.780 202 2HE2 GLN 26 2HE2 GLN 26 -10.992 5.436 2.538 203 H ASN 27 H ASN 27 -8.259 2.680 -3.651 204 HA ASN 27 HA ASN 27 -9.849 0.513 -4.660 205 1HB ASN 27 2HB ASN 27 -9.415 2.801 -5.742 206 2HB ASN 27 1HB ASN 27 -7.871 2.137 -6.277 207 1HD2 ASN 27 1HD2 ASN 27 -9.401 2.775 -8.380 208 2HD2 ASN 27 2HD2 ASN 27 -10.183 1.427 -9.054 209 H LEU 28 H LEU 28 -6.331 1.148 -4.902 210 HA LEU 28 HA LEU 28 -5.750 -1.413 -6.105 211 1HB LEU 28 2HB LEU 28 -3.886 0.416 -4.564 212 2HB LEU 28 1HB LEU 28 -3.412 -0.848 -5.697 213 HG LEU 28 HG LEU 28 -5.004 1.644 -6.373 214 1HD1 LEU 28 1HD1 LEU 28 -2.639 2.120 -5.997 215 2HD1 LEU 28 2HD1 LEU 28 -2.968 2.169 -7.729 216 3HD1 LEU 28 3HD1 LEU 28 -2.174 0.761 -7.023 217 1HD2 LEU 28 1HD2 LEU 28 -4.417 0.709 -8.756 218 2HD2 LEU 28 2HD2 LEU 28 -5.795 0.034 -7.885 219 3HD2 LEU 28 3HD2 LEU 28 -4.260 -0.833 -7.914 220 H ARG 29 H ARG 29 -5.885 -0.251 -2.766 221 HA ARG 29 HA ARG 29 -4.594 -2.598 -1.662 222 1HB ARG 29 2HB ARG 29 -6.241 -0.369 -0.466 223 2HB ARG 29 1HB ARG 29 -5.647 -1.716 0.508 224 1HG ARG 29 2HG ARG 29 -3.339 -1.217 -0.171 225 2HG ARG 29 1HG ARG 29 -3.912 0.102 -1.193 226 1HD ARG 29 2HD ARG 29 -4.298 -0.058 1.811 227 2HD ARG 29 1HD ARG 29 -3.082 0.923 0.999 228 HE ARG 29 HE ARG 29 -5.476 1.705 -0.171 229 1HH1 ARG 29 1HH2 ARG 29 -4.204 1.437 3.025 230 2HH1 ARG 29 2HH2 ARG 29 -5.145 2.751 3.649 231 1HH2 ARG 29 1HH1 ARG 29 -6.707 3.418 0.626 232 2HH2 ARG 29 2HH1 ARG 29 -6.561 3.873 2.290 233 H ARG 30 H ARG 30 -8.032 -1.614 -1.967 234 HA ARG 30 HA ARG 30 -9.012 -4.034 -0.727 235 1HB ARG 30 2HB ARG 30 -10.289 -1.963 -2.520 236 2HB ARG 30 1HB ARG 30 -11.178 -3.382 -1.960 237 1HG ARG 30 2HG ARG 30 -10.689 -2.759 0.382 238 2HG ARG 30 1HG ARG 30 -9.811 -1.337 -0.182 239 1HD ARG 30 2HD ARG 30 -12.747 -1.906 -0.688 240 2HD ARG 30 1HD ARG 30 -12.113 -0.742 0.473 241 HE ARG 30 HE ARG 30 -10.962 0.028 -1.925 242 1HH1 ARG 30 1HH2 ARG 30 -14.150 -0.629 -0.783 243 2HH1 ARG 30 2HH2 ARG 30 -14.907 0.510 -1.846 244 1HH2 ARG 30 1HH1 ARG 30 -11.931 1.516 -3.316 245 2HH2 ARG 30 2HH1 ARG 30 -13.650 1.726 -3.280 246 H GLU 31 H GLU 31 -8.130 -3.140 -4.016 247 HA GLU 31 HA GLU 31 -9.303 -5.343 -5.398 248 1HB GLU 31 2HB GLU 31 -8.200 -3.329 -6.461 249 2HB GLU 31 1HB GLU 31 -6.640 -4.030 -6.033 250 1HG GLU 31 2HG GLU 31 -7.252 -6.077 -7.325 251 2HG GLU 31 1HG GLU 31 -8.744 -5.279 -7.823 252 H ARG 32 H ARG 32 -6.552 -5.116 -3.283 253 HA ARG 32 HA ARG 32 -5.684 -7.859 -4.061 254 1HB ARG 32 2HB ARG 32 -4.294 -5.650 -2.530 255 2HB ARG 32 1HB ARG 32 -3.638 -7.279 -2.694 256 1HG ARG 32 2HG ARG 32 -3.667 -7.060 -5.143 257 2HG ARG 32 1HG ARG 32 -4.354 -5.442 -4.998 258 1HD ARG 32 2HD ARG 32 -2.298 -4.881 -3.557 259 2HD ARG 32 1HD ARG 32 -1.606 -6.384 -4.167 260 HE ARG 32 HE ARG 32 -1.764 -3.927 -5.634 261 1HH1 ARG 32 1HH2 ARG 32 -2.226 -7.334 -5.888 262 2HH1 ARG 32 2HH2 ARG 32 -1.863 -7.390 -7.581 263 1HH2 ARG 32 1HH1 ARG 32 -1.290 -3.981 -7.842 264 2HH2 ARG 32 2HH1 ARG 32 -1.334 -5.491 -8.687 265 H GLY 33 H GLY 33 -7.782 -6.555 -1.916 266 1HA GLY 33 2HA GLY 33 -8.833 -7.732 -0.123 267 2HA GLY 33 1HA GLY 33 -7.482 -8.866 -0.112 268 H LEU 34 H LEU 34 -7.033 -5.374 -0.013 269 HA LEU 34 HA LEU 34 -6.205 -5.647 2.850 270 1HB LEU 34 2HB LEU 34 -4.864 -3.913 0.754 271 2HB LEU 34 1HB LEU 34 -4.351 -4.126 2.428 272 HG LEU 34 HG LEU 34 -4.548 -6.395 0.432 273 1HD1 LEU 34 1HD1 LEU 34 -2.243 -4.609 1.227 274 2HD1 LEU 34 2HD1 LEU 34 -2.804 -5.006 -0.397 275 3HD1 LEU 34 3HD1 LEU 34 -1.984 -6.227 0.576 276 1HD2 LEU 34 1HD2 LEU 34 -3.561 -6.085 3.264 277 2HD2 LEU 34 2HD2 LEU 34 -2.922 -7.362 2.228 278 3HD2 LEU 34 3HD2 LEU 34 -4.646 -7.309 2.602 279 H PHE 35 H PHE 35 -6.868 -3.982 4.202 280 HA PHE 35 HA PHE 35 -8.224 -2.188 4.883 281 1HB PHE 35 2HB PHE 35 -6.977 -1.152 2.332 282 2HB PHE 35 1HB PHE 35 -8.022 -0.151 3.340 283 HD1 PHE 35 1HD PHE 35 -4.801 -1.947 3.166 284 HD2 PHE 35 2HD PHE 35 -7.316 0.600 5.540 285 HE1 PHE 35 1HE PHE 35 -2.893 -1.474 4.679 286 HE2 PHE 35 2HE PHE 35 -5.408 1.074 7.054 287 HZ PHE 35 HZ PHE 35 -3.197 0.036 6.623 Start of MODEL 6 1 1H LEU 1 1HT LEU 1 1.586 0.053 11.326 2 2H LEU 1 2HT LEU 1 2.167 -0.476 9.820 3 3H LEU 1 3HT LEU 1 3.146 -0.600 11.202 4 HA LEU 1 HA LEU 1 1.616 -2.202 12.174 5 1HB LEU 1 2HB LEU 1 0.227 -2.133 9.484 6 2HB LEU 1 1HB LEU 1 -0.271 -3.008 10.932 7 HG LEU 1 HG LEU 1 -0.138 0.009 10.654 8 1HD1 LEU 1 1HD1 LEU 1 -2.614 -0.159 10.864 9 2HD1 LEU 1 2HD1 LEU 1 -2.478 -1.916 10.810 10 3HD1 LEU 1 3HD1 LEU 1 -2.013 -0.952 9.409 11 1HD2 LEU 1 1HD2 LEU 1 0.292 -0.453 12.928 12 2HD2 LEU 1 2HD2 LEU 1 -0.771 -1.860 12.937 13 3HD2 LEU 1 3HD2 LEU 1 -1.458 -0.235 12.883 14 H SER 2 H SER 2 0.938 -3.891 9.520 15 HA SER 2 HA SER 2 3.339 -5.481 9.653 16 1HB SER 2 2HB SER 2 2.280 -6.913 8.143 17 2HB SER 2 1HB SER 2 0.902 -6.121 8.901 18 HG SER 2 HG SER 2 0.816 -4.706 7.147 19 H ASP 3 H ASP 3 4.440 -3.104 9.208 20 HA ASP 3 HA ASP 3 4.682 -2.164 6.549 21 1HB ASP 3 2HB ASP 3 6.762 -2.225 8.758 22 2HB ASP 3 1HB ASP 3 6.903 -1.280 7.274 23 H GLU 4 H GLU 4 6.210 -4.887 8.182 24 HA GLU 4 HA GLU 4 8.147 -5.455 6.125 25 1HB GLU 4 2HB GLU 4 8.085 -6.379 8.523 26 2HB GLU 4 1HB GLU 4 6.864 -7.509 7.936 27 1HG GLU 4 2HG GLU 4 8.985 -8.624 7.753 28 2HG GLU 4 1HG GLU 4 8.501 -8.173 6.117 29 H ASP 5 H ASP 5 4.957 -6.901 6.858 30 HA ASP 5 HA ASP 5 4.887 -8.508 4.470 31 1HB ASP 5 2HB ASP 5 3.460 -8.759 6.599 32 2HB ASP 5 1HB ASP 5 2.455 -7.472 5.933 33 H PHE 6 H PHE 6 3.537 -5.318 5.290 34 HA PHE 6 HA PHE 6 2.126 -4.798 2.911 35 1HB PHE 6 2HB PHE 6 2.064 -3.295 4.857 36 2HB PHE 6 1HB PHE 6 3.752 -2.860 4.586 37 HD1 PHE 6 1HD PHE 6 0.301 -2.510 3.356 38 HD2 PHE 6 2HD PHE 6 4.413 -1.459 2.693 39 HE1 PHE 6 1HE PHE 6 -0.406 -0.757 1.749 40 HE2 PHE 6 2HE PHE 6 3.706 0.293 1.085 41 HZ PHE 6 HZ PHE 6 1.297 0.643 0.613 42 H ARG 7 H ARG 7 5.483 -3.752 3.613 43 HA ARG 7 HA ARG 7 6.129 -2.750 1.090 44 1HB ARG 7 2HB ARG 7 7.598 -2.679 3.124 45 2HB ARG 7 1HB ARG 7 7.999 -4.373 2.842 46 1HG ARG 7 2HG ARG 7 8.864 -3.786 0.598 47 2HG ARG 7 1HG ARG 7 8.489 -2.089 0.906 48 1HD ARG 7 2HD ARG 7 9.952 -2.843 3.143 49 2HD ARG 7 1HD ARG 7 10.762 -3.682 1.824 50 HE ARG 7 HE ARG 7 11.053 -0.936 2.328 51 1HH1 ARG 7 1HH2 ARG 7 10.037 -3.008 -0.235 52 2HH1 ARG 7 2HH2 ARG 7 10.569 -1.937 -1.488 53 1HH2 ARG 7 1HH1 ARG 7 11.752 0.472 0.708 54 2HH2 ARG 7 2HH1 ARG 7 11.539 0.033 -0.954 55 H ALA 8 H ALA 8 6.029 -6.126 2.132 56 HA ALA 8 HA ALA 8 7.263 -7.210 -0.236 57 1HB ALA 8 1HB ALA 8 5.279 -8.536 1.633 58 2HB ALA 8 2HB ALA 8 7.017 -8.449 1.924 59 3HB ALA 8 3HB ALA 8 6.396 -9.353 0.542 60 H VAL 9 H VAL 9 3.992 -6.192 0.525 61 HA VAL 9 HA VAL 9 2.806 -7.613 -1.733 62 HB VAL 9 HB VAL 9 1.729 -5.455 0.097 63 1HG1 VAL 9 1HG1 VAL 9 -0.496 -6.281 -0.888 64 2HG1 VAL 9 2HG1 VAL 9 0.470 -6.991 -2.182 65 3HG1 VAL 9 3HG1 VAL 9 0.488 -5.246 -1.922 66 1HG2 VAL 9 1HG2 VAL 9 1.327 -8.457 -0.084 67 2HG2 VAL 9 2HG2 VAL 9 0.381 -7.393 0.957 68 3HG2 VAL 9 3HG2 VAL 9 2.115 -7.577 1.225 69 1HN PF5 10 H PF5 10 3.467 -4.138 -1.067 70 HA PF5 10 HA PF5 10 2.941 -3.624 -3.950 71 1HB PF5 10 1HB PF5 10 2.695 -1.299 -3.326 72 2HB PF5 10 2HB PF5 10 3.331 -1.623 -1.708 73 H GLY 11 H GLY 11 5.551 -4.131 -1.870 74 1HA GLY 11 2HA GLY 11 7.856 -4.035 -2.355 75 2HA GLY 11 1HA GLY 11 7.443 -3.433 -3.961 76 H MET 12 H MET 12 6.081 -1.763 -1.256 77 HA MET 12 HA MET 12 8.258 0.233 -1.199 78 1HB MET 12 2HB MET 12 6.599 0.764 -3.114 79 2HB MET 12 1HB MET 12 5.458 1.166 -1.830 80 1HG MET 12 2HG MET 12 6.929 2.861 -0.950 81 2HG MET 12 1HG MET 12 8.233 2.361 -2.026 82 1HE MET 12 1HE MET 12 4.327 4.475 -2.987 83 2HE MET 12 2HE MET 12 4.724 3.396 -1.653 84 3HE MET 12 3HE MET 12 4.307 2.722 -3.226 85 H THR 13 H THR 13 7.857 1.868 0.532 86 HA THR 13 HA THR 13 6.679 0.579 2.873 87 HB THR 13 HB THR 13 7.327 2.873 3.917 88 HG1 THR 13 1HG THR 13 8.977 3.063 1.666 89 1HG2 THR 13 1HG2 THR 13 9.425 1.089 2.652 90 2HG2 THR 13 2HG2 THR 13 8.634 0.807 4.203 91 3HG2 THR 13 3HG2 THR 13 9.700 2.196 3.997 92 H ARG 14 H ARG 14 4.903 1.426 4.106 93 HA ARG 14 HA ARG 14 2.688 2.374 2.588 94 1HB ARG 14 2HB ARG 14 3.170 2.544 5.579 95 2HB ARG 14 1HB ARG 14 1.613 2.780 4.786 96 1HG ARG 14 2HG ARG 14 1.879 0.461 3.794 97 2HG ARG 14 1HG ARG 14 3.272 0.247 4.855 98 1HD ARG 14 2HD ARG 14 0.431 0.840 5.746 99 2HD ARG 14 1HD ARG 14 1.280 -0.687 5.930 100 HE ARG 14 HE ARG 14 2.934 1.141 7.198 101 1HH1 ARG 14 1HH2 ARG 14 -0.423 0.332 7.354 102 2HH1 ARG 14 2HH2 ARG 14 -0.564 0.694 9.042 103 1HH2 ARG 14 1HH1 ARG 14 2.757 1.623 9.397 104 2HH2 ARG 14 2HH1 ARG 14 1.234 1.422 10.196 105 H SER 15 H SER 15 5.259 4.084 4.265 106 HA SER 15 HA SER 15 4.011 6.626 4.536 107 1HB SER 15 2HB SER 15 6.243 7.541 4.690 108 2HB SER 15 1HB SER 15 6.263 5.964 5.474 109 HG SER 15 HG SER 15 7.873 6.701 3.647 110 H ALA 16 H ALA 16 6.014 5.356 1.860 111 HA ALA 16 HA ALA 16 5.510 7.666 0.177 112 1HB ALA 16 1HB ALA 16 7.434 5.850 0.090 113 2HB ALA 16 2HB ALA 16 6.859 6.607 -1.395 114 3HB ALA 16 3HB ALA 16 6.291 4.998 -0.948 115 H PHE 17 H PHE 17 3.990 4.534 0.674 116 HA PHE 17 HA PHE 17 2.408 4.383 -1.671 117 1HB PHE 17 2HB PHE 17 2.656 2.680 0.273 118 2HB PHE 17 1HB PHE 17 1.352 3.586 1.041 119 HD1 PHE 17 1HD PHE 17 2.273 1.811 -2.116 120 HD2 PHE 17 2HD PHE 17 -0.896 3.232 0.412 121 HE1 PHE 17 1HE PHE 17 0.614 0.620 -3.525 122 HE2 PHE 17 2HE PHE 17 -2.554 2.042 -0.997 123 HZ PHE 17 HZ PHE 17 -1.798 0.736 -2.965 124 H ALA 18 H ALA 18 1.982 6.269 1.282 125 HA ALA 18 HA ALA 18 -0.716 7.104 0.798 126 1HB ALA 18 1HB ALA 18 1.567 8.419 2.298 127 2HB ALA 18 2HB ALA 18 0.249 7.466 2.980 128 3HB ALA 18 3HB ALA 18 -0.078 9.054 2.287 129 H ASN 19 H ASN 19 2.207 7.838 -0.802 130 HA ASN 19 HA ASN 19 1.694 10.525 -1.646 131 1HB ASN 19 2HB ASN 19 3.233 8.325 -3.058 132 2HB ASN 19 1HB ASN 19 3.329 10.045 -3.434 133 1HD2 ASN 19 1HD2 ASN 19 5.664 8.661 -2.608 134 2HD2 ASN 19 2HD2 ASN 19 6.109 9.205 -1.062 135 H LEU 20 H LEU 20 0.651 7.394 -2.925 136 HA LEU 20 HA LEU 20 -0.379 8.372 -5.427 137 1HB LEU 20 2HB LEU 20 -1.406 6.005 -3.837 138 2HB LEU 20 1HB LEU 20 -1.520 6.250 -5.580 139 HG LEU 20 HG LEU 20 1.082 5.979 -4.047 140 1HD1 LEU 20 1HD1 LEU 20 -0.603 4.017 -5.604 141 2HD1 LEU 20 2HD1 LEU 20 0.086 3.832 -3.990 142 3HD1 LEU 20 3HD1 LEU 20 1.133 3.782 -5.407 143 1HD2 LEU 20 1HD2 LEU 20 1.554 7.215 -5.998 144 2HD2 LEU 20 2HD2 LEU 20 0.345 6.350 -6.948 145 3HD2 LEU 20 3HD2 LEU 20 1.852 5.552 -6.501 146 HA PRO 21 HA PRO 21 -4.077 10.603 -4.524 147 1HB PRO 21 2HB PRO 21 -5.399 8.497 -6.226 148 2HB PRO 21 1HB PRO 21 -5.619 10.260 -6.252 149 1HG PRO 21 2HG PRO 21 -4.106 9.118 -8.070 150 2HG PRO 21 1HG PRO 21 -3.582 10.628 -7.302 151 1HD PRO 21 2HD PRO 21 -2.566 7.847 -6.859 152 2HD PRO 21 1HD PRO 21 -1.690 9.390 -6.783 153 H LEU 22 H LEU 22 -5.479 10.522 -2.820 154 HA LEU 22 HA LEU 22 -5.586 8.412 -0.994 155 1HB LEU 22 2HB LEU 22 -6.328 10.739 -0.538 156 2HB LEU 22 1HB LEU 22 -7.776 10.448 -1.502 157 HG LEU 22 HG LEU 22 -8.352 8.551 0.029 158 1HD1 LEU 22 1HD1 LEU 22 -6.385 7.834 1.043 159 2HD1 LEU 22 2HD1 LEU 22 -7.064 8.837 2.325 160 3HD1 LEU 22 3HD1 LEU 22 -5.790 9.476 1.285 161 1HD2 LEU 22 1HD2 LEU 22 -7.969 11.312 1.222 162 2HD2 LEU 22 2HD2 LEU 22 -8.920 10.045 1.996 163 3HD2 LEU 22 3HD2 LEU 22 -9.414 10.683 0.428 164 H TRP 23 H TRP 23 -7.929 9.095 -3.609 165 HA TRP 23 HA TRP 23 -9.649 6.884 -2.940 166 1HB TRP 23 2HB TRP 23 -10.734 7.320 -5.054 167 2HB TRP 23 1HB TRP 23 -10.305 8.873 -4.336 168 HD1 TRP 23 HD TRP 23 -8.568 10.360 -5.565 169 HE1 TRP 23 1HE TRP 23 -7.353 10.179 -7.833 170 HE3 TRP 23 3HE TRP 23 -9.689 5.529 -6.783 171 HZ2 TRP 23 2HZ TRP 23 -6.915 8.239 -9.891 172 HZ3 TRP 23 3HZ TRP 23 -8.861 4.542 -8.899 173 HH2 TRP 23 HH TRP 23 -7.477 5.889 -10.454 174 H ARG 24 H ARG 24 -6.932 7.225 -5.210 175 HA ARG 24 HA ARG 24 -7.233 4.690 -6.483 176 1HB ARG 24 2HB ARG 24 -5.753 6.501 -7.320 177 2HB ARG 24 1HB ARG 24 -4.666 6.212 -5.961 178 1HG ARG 24 2HG ARG 24 -4.288 3.914 -6.707 179 2HG ARG 24 1HG ARG 24 -5.439 4.131 -8.026 180 1HD ARG 24 2HD ARG 24 -3.758 4.894 -9.307 181 2HD ARG 24 1HD ARG 24 -3.603 6.274 -8.217 182 HE ARG 24 HE ARG 24 -2.192 4.299 -6.917 183 1HH1 ARG 24 1HH2 ARG 24 -2.248 5.579 -10.117 184 2HH1 ARG 24 2HH2 ARG 24 -0.558 5.320 -10.394 185 1HH2 ARG 24 1HH1 ARG 24 0.018 3.954 -7.259 186 2HH2 ARG 24 2HH1 ARG 24 0.726 4.400 -8.774 187 H GLN 25 H GLN 25 -5.325 5.613 -3.598 188 HA GLN 25 HA GLN 25 -4.008 3.186 -3.148 189 1HB GLN 25 2HB GLN 25 -5.245 5.030 -1.085 190 2HB GLN 25 1HB GLN 25 -4.062 3.769 -0.731 191 1HG GLN 25 2HG GLN 25 -2.396 4.850 -2.125 192 2HG GLN 25 1HG GLN 25 -3.575 6.033 -2.691 193 1HE2 GLN 25 1HE2 GLN 25 -3.744 5.073 0.664 194 2HE2 GLN 25 2HE2 GLN 25 -3.089 6.498 1.312 195 H GLN 26 H GLN 26 -7.369 4.027 -2.252 196 HA GLN 26 HA GLN 26 -7.914 1.504 -0.969 197 1HB GLN 26 2HB GLN 26 -9.786 3.455 -2.347 198 2HB GLN 26 1HB GLN 26 -10.311 2.088 -1.365 199 1HG GLN 26 2HG GLN 26 -9.146 3.008 0.587 200 2HG GLN 26 1HG GLN 26 -8.551 4.353 -0.385 201 1HE2 GLN 26 1HE2 GLN 26 -10.219 4.762 1.933 202 2HE2 GLN 26 2HE2 GLN 26 -11.702 5.400 1.406 203 H ASN 27 H ASN 27 -8.132 2.669 -4.292 204 HA ASN 27 HA ASN 27 -9.464 0.426 -5.440 205 1HB ASN 27 2HB ASN 27 -8.930 2.668 -6.544 206 2HB ASN 27 1HB ASN 27 -7.296 2.053 -6.791 207 1HD2 ASN 27 1HD2 ASN 27 -6.993 0.964 -8.738 208 2HD2 ASN 27 2HD2 ASN 27 -8.226 0.232 -9.647 209 H LEU 28 H LEU 28 -5.956 1.114 -5.207 210 HA LEU 28 HA LEU 28 -5.166 -1.479 -6.193 211 1HB LEU 28 2HB LEU 28 -3.562 0.382 -4.420 212 2HB LEU 28 1HB LEU 28 -2.934 -0.858 -5.503 213 HG LEU 28 HG LEU 28 -4.406 1.666 -6.310 214 1HD1 LEU 28 1HD1 LEU 28 -2.205 2.063 -7.511 215 2HD1 LEU 28 2HD1 LEU 28 -1.553 0.693 -6.612 216 3HD1 LEU 28 3HD1 LEU 28 -2.110 2.128 -5.751 217 1HD2 LEU 28 1HD2 LEU 28 -3.664 0.765 -8.646 218 2HD2 LEU 28 2HD2 LEU 28 -5.105 0.075 -7.899 219 3HD2 LEU 28 3HD2 LEU 28 -3.574 -0.797 -7.835 220 H ARG 29 H ARG 29 -5.824 -0.200 -2.959 221 HA ARG 29 HA ARG 29 -4.792 -2.616 -1.663 222 1HB ARG 29 2HB ARG 29 -6.273 -0.194 -0.623 223 2HB ARG 29 1HB ARG 29 -5.774 -1.538 0.408 224 1HG ARG 29 2HG ARG 29 -3.423 -1.207 -0.357 225 2HG ARG 29 1HG ARG 29 -3.950 0.199 -1.283 226 1HD ARG 29 2HD ARG 29 -4.270 -0.120 1.716 227 2HD ARG 29 1HD ARG 29 -3.018 0.840 0.929 228 HE ARG 29 HE ARG 29 -5.381 1.829 -0.130 229 1HH1 ARG 29 1HH2 ARG 29 -4.086 1.274 3.020 230 2HH1 ARG 29 2HH2 ARG 29 -4.943 2.591 3.746 231 1HH2 ARG 29 1HH1 ARG 29 -6.504 3.548 0.802 232 2HH2 ARG 29 2HH1 ARG 29 -6.312 3.879 2.490 233 H ARG 30 H ARG 30 -8.049 -1.213 -2.221 234 HA ARG 30 HA ARG 30 -9.475 -3.303 -0.902 235 1HB ARG 30 2HB ARG 30 -10.468 -1.122 -1.687 236 2HB ARG 30 1HB ARG 30 -10.424 -1.757 -3.332 237 1HG ARG 30 2HG ARG 30 -11.858 -3.638 -2.666 238 2HG ARG 30 1HG ARG 30 -11.870 -3.053 -1.002 239 1HD ARG 30 2HD ARG 30 -12.940 -1.545 -3.405 240 2HD ARG 30 1HD ARG 30 -13.917 -2.356 -2.182 241 HE ARG 30 HE ARG 30 -12.342 -0.617 -0.714 242 1HH1 ARG 30 1HH2 ARG 30 -14.437 -0.382 -3.444 243 2HH1 ARG 30 2HH2 ARG 30 -14.934 1.239 -3.087 244 1HH2 ARG 30 1HH1 ARG 30 -12.979 1.494 -0.235 245 2HH2 ARG 30 2HH1 ARG 30 -14.108 2.301 -1.271 246 H GLU 31 H GLU 31 -8.429 -2.969 -4.294 247 HA GLU 31 HA GLU 31 -9.556 -5.446 -5.207 248 1HB GLU 31 2HB GLU 31 -7.188 -3.813 -6.170 249 2HB GLU 31 1HB GLU 31 -7.775 -5.246 -7.012 250 1HG GLU 31 2HG GLU 31 -9.996 -4.199 -7.254 251 2HG GLU 31 1HG GLU 31 -9.410 -2.765 -6.409 252 H ARG 32 H ARG 32 -6.937 -4.748 -3.126 253 HA ARG 32 HA ARG 32 -5.521 -7.274 -3.696 254 1HB ARG 32 2HB ARG 32 -4.434 -5.000 -3.074 255 2HB ARG 32 1HB ARG 32 -4.897 -5.406 -1.420 256 1HG ARG 32 2HG ARG 32 -2.740 -6.311 -1.581 257 2HG ARG 32 1HG ARG 32 -3.767 -7.703 -1.927 258 1HD ARG 32 2HD ARG 32 -3.463 -6.525 -4.416 259 2HD ARG 32 1HD ARG 32 -1.877 -6.304 -3.677 260 HE ARG 32 HE ARG 32 -2.764 -8.746 -4.729 261 1HH1 ARG 32 1HH2 ARG 32 -1.634 -7.467 -1.734 262 2HH1 ARG 32 2HH2 ARG 32 -0.927 -8.959 -1.210 263 1HH2 ARG 32 1HH1 ARG 32 -1.847 -10.702 -4.063 264 2HH2 ARG 32 2HH1 ARG 32 -1.049 -10.790 -2.529 265 H GLY 33 H GLY 33 -8.088 -6.244 -1.692 266 1HA GLY 33 2HA GLY 33 -9.348 -7.758 -0.308 267 2HA GLY 33 1HA GLY 33 -7.940 -8.817 -0.231 268 H LEU 34 H LEU 34 -6.763 -5.781 0.281 269 HA LEU 34 HA LEU 34 -6.914 -6.162 3.239 270 1HB LEU 34 2HB LEU 34 -4.948 -4.429 1.726 271 2HB LEU 34 1HB LEU 34 -4.834 -4.984 3.396 272 HG LEU 34 HG LEU 34 -4.757 -6.760 0.938 273 1HD1 LEU 34 1HD1 LEU 34 -2.612 -5.905 2.905 274 2HD1 LEU 34 2HD1 LEU 34 -2.694 -5.480 1.196 275 3HD1 LEU 34 3HD1 LEU 34 -2.402 -7.152 1.676 276 1HD2 LEU 34 1HD2 LEU 34 -5.717 -8.059 2.664 277 2HD2 LEU 34 2HD2 LEU 34 -4.732 -7.292 3.909 278 3HD2 LEU 34 3HD2 LEU 34 -3.997 -8.428 2.779 279 H PHE 35 H PHE 35 -7.010 -4.124 4.538 280 HA PHE 35 HA PHE 35 -8.171 -2.154 5.082 281 1HB PHE 35 2HB PHE 35 -7.171 -1.565 2.288 282 2HB PHE 35 1HB PHE 35 -8.011 -0.362 3.266 283 HD1 PHE 35 1HD PHE 35 -4.982 -2.475 3.012 284 HD2 PHE 35 2HD PHE 35 -6.965 0.647 5.196 285 HE1 PHE 35 1HE PHE 35 -2.871 -1.975 4.214 286 HE2 PHE 35 2HE PHE 35 -4.854 1.146 6.399 287 HZ PHE 35 HZ PHE 35 -2.807 -0.165 5.907 Start of MODEL 7 1 1H LEU 1 1HT LEU 1 0.070 -0.435 9.239 2 2H LEU 1 2HT LEU 1 1.700 -0.702 9.636 3 3H LEU 1 3HT LEU 1 0.641 -0.030 10.783 4 HA LEU 1 HA LEU 1 0.341 -2.074 11.562 5 1HB LEU 1 2HB LEU 1 -1.033 -2.220 8.876 6 2HB LEU 1 1HB LEU 1 -1.100 -3.558 10.023 7 HG LEU 1 HG LEU 1 -1.994 -1.996 11.745 8 1HD1 LEU 1 1HD1 LEU 1 -1.727 -0.069 9.441 9 2HD1 LEU 1 2HD1 LEU 1 -1.198 0.131 11.112 10 3HD1 LEU 1 3HD1 LEU 1 -2.915 0.205 10.715 11 1HD2 LEU 1 1HD2 LEU 1 -4.227 -1.903 10.848 12 2HD2 LEU 1 2HD2 LEU 1 -3.463 -3.340 10.167 13 3HD2 LEU 1 3HD2 LEU 1 -3.622 -1.880 9.191 14 H SER 2 H SER 2 0.170 -3.994 8.816 15 HA SER 2 HA SER 2 2.613 -5.391 9.485 16 1HB SER 2 2HB SER 2 1.984 -6.941 7.842 17 2HB SER 2 1HB SER 2 0.431 -6.280 8.345 18 HG SER 2 HG SER 2 0.975 -4.666 6.559 19 H ASP 3 H ASP 3 3.759 -3.101 9.210 20 HA ASP 3 HA ASP 3 4.341 -2.052 6.649 21 1HB ASP 3 2HB ASP 3 6.164 -2.226 9.071 22 2HB ASP 3 1HB ASP 3 6.419 -1.173 7.680 23 H GLU 4 H GLU 4 5.638 -4.858 8.334 24 HA GLU 4 HA GLU 4 7.820 -5.336 6.500 25 1HB GLU 4 2HB GLU 4 7.500 -6.334 8.848 26 2HB GLU 4 1HB GLU 4 6.365 -7.455 8.093 27 1HG GLU 4 2HG GLU 4 8.506 -8.548 8.115 28 2HG GLU 4 1HG GLU 4 8.205 -8.047 6.450 29 H ASP 5 H ASP 5 4.620 -6.904 6.852 30 HA ASP 5 HA ASP 5 4.849 -8.358 4.369 31 1HB ASP 5 2HB ASP 5 3.277 -8.822 6.372 32 2HB ASP 5 1HB ASP 5 2.236 -7.584 5.669 33 H PHE 6 H PHE 6 3.249 -5.316 5.292 34 HA PHE 6 HA PHE 6 1.956 -4.691 2.885 35 1HB PHE 6 2HB PHE 6 1.757 -3.294 4.890 36 2HB PHE 6 1HB PHE 6 3.450 -2.818 4.746 37 HD1 PHE 6 1HD PHE 6 0.062 -2.372 3.429 38 HD2 PHE 6 2HD PHE 6 4.205 -1.374 2.886 39 HE1 PHE 6 1HE PHE 6 -0.581 -0.541 1.885 40 HE2 PHE 6 2HE PHE 6 3.562 0.457 1.341 41 HZ PHE 6 HZ PHE 6 1.168 0.874 0.841 42 H ARG 7 H ARG 7 5.258 -3.618 3.786 43 HA ARG 7 HA ARG 7 5.984 -2.461 1.349 44 1HB ARG 7 2HB ARG 7 7.382 -2.426 3.405 45 2HB ARG 7 1HB ARG 7 7.782 -4.124 3.143 46 1HG ARG 7 2HG ARG 7 8.848 -3.597 1.022 47 2HG ARG 7 1HG ARG 7 8.335 -1.913 1.143 48 1HD ARG 7 2HD ARG 7 10.630 -2.000 1.858 49 2HD ARG 7 1HD ARG 7 9.648 -1.773 3.303 50 HE ARG 7 HE ARG 7 9.920 -4.529 3.094 51 1HH1 ARG 7 1HH2 ARG 7 12.023 -1.797 3.159 52 2HH1 ARG 7 2HH2 ARG 7 13.328 -2.655 3.906 53 1HH2 ARG 7 1HH1 ARG 7 11.610 -5.662 4.067 54 2HH2 ARG 7 2HH1 ARG 7 13.095 -4.844 4.421 55 H ALA 8 H ALA 8 5.975 -5.894 2.219 56 HA ALA 8 HA ALA 8 7.290 -6.805 -0.177 57 1HB ALA 8 1HB ALA 8 5.299 -8.362 1.486 58 2HB ALA 8 2HB ALA 8 6.974 -8.118 1.981 59 3HB ALA 8 3HB ALA 8 6.612 -9.005 0.500 60 H VAL 9 H VAL 9 3.950 -6.014 0.594 61 HA VAL 9 HA VAL 9 2.810 -7.359 -1.697 62 HB VAL 9 HB VAL 9 1.739 -5.122 0.041 63 1HG1 VAL 9 1HG1 VAL 9 0.546 -5.003 -2.025 64 2HG1 VAL 9 2HG1 VAL 9 -0.480 -5.942 -0.940 65 3HG1 VAL 9 3HG1 VAL 9 0.483 -6.759 -2.171 66 1HG2 VAL 9 1HG2 VAL 9 1.009 -8.063 -0.034 67 2HG2 VAL 9 2HG2 VAL 9 0.530 -6.868 1.174 68 3HG2 VAL 9 3HG2 VAL 9 2.209 -7.400 1.075 69 1HN PF5 10 H PF5 10 3.535 -3.885 -1.092 70 HA PF5 10 HA PF5 10 3.125 -3.438 -4.009 71 1HB PF5 10 1HB PF5 10 2.868 -1.099 -3.459 72 2HB PF5 10 2HB PF5 10 3.442 -1.378 -1.809 73 H GLY 11 H GLY 11 5.633 -3.889 -1.781 74 1HA GLY 11 2HA GLY 11 7.956 -3.892 -2.227 75 2HA GLY 11 1HA GLY 11 7.610 -3.237 -3.827 76 H MET 12 H MET 12 6.163 -1.570 -1.188 77 HA MET 12 HA MET 12 8.411 0.322 -0.910 78 1HB MET 12 2HB MET 12 6.765 2.241 -1.448 79 2HB MET 12 1HB MET 12 7.426 1.336 -2.812 80 1HG MET 12 2HG MET 12 5.401 -0.067 -2.874 81 2HG MET 12 1HG MET 12 4.738 0.822 -1.503 82 1HE MET 12 1HE MET 12 6.533 1.571 -4.961 83 2HE MET 12 2HE MET 12 5.101 2.052 -5.867 84 3HE MET 12 3HE MET 12 5.176 0.450 -5.137 85 H THR 13 H THR 13 8.064 1.814 0.883 86 HA THR 13 HA THR 13 6.558 0.600 3.047 87 HB THR 13 HB THR 13 7.254 2.772 4.244 88 HG1 THR 13 1HG THR 13 7.509 3.924 2.243 89 1HG2 THR 13 1HG2 THR 13 9.359 1.012 2.958 90 2HG2 THR 13 2HG2 THR 13 8.507 0.676 4.465 91 3HG2 THR 13 3HG2 THR 13 9.620 2.041 4.367 92 H ARG 14 H ARG 14 4.822 1.695 4.244 93 HA ARG 14 HA ARG 14 2.683 2.593 2.639 94 1HB ARG 14 2HB ARG 14 3.249 3.123 5.570 95 2HB ARG 14 1HB ARG 14 1.710 3.470 4.782 96 1HG ARG 14 2HG ARG 14 1.541 1.071 4.123 97 2HG ARG 14 1HG ARG 14 3.030 0.748 5.011 98 1HD ARG 14 2HD ARG 14 1.953 1.574 7.094 99 2HD ARG 14 1HD ARG 14 0.467 1.857 6.200 100 HE ARG 14 HE ARG 14 1.375 -0.693 7.202 101 1HH1 ARG 14 1HH2 ARG 14 -0.167 0.871 4.532 102 2HH1 ARG 14 2HH2 ARG 14 -1.018 -0.551 4.026 103 1HH2 ARG 14 1HH1 ARG 14 0.262 -2.548 6.553 104 2HH2 ARG 14 2HH1 ARG 14 -0.774 -2.482 5.167 105 H SER 15 H SER 15 5.378 4.382 4.005 106 HA SER 15 HA SER 15 4.258 7.009 3.819 107 1HB SER 15 2HB SER 15 7.162 6.229 3.416 108 2HB SER 15 1HB SER 15 6.552 7.814 3.883 109 HG SER 15 HG SER 15 5.515 6.402 5.659 110 H ALA 16 H ALA 16 6.176 5.098 1.494 111 HA ALA 16 HA ALA 16 5.995 7.122 -0.581 112 1HB ALA 16 1HB ALA 16 6.944 4.283 -0.420 113 2HB ALA 16 2HB ALA 16 7.823 5.726 -0.927 114 3HB ALA 16 3HB ALA 16 6.640 4.988 -2.008 115 H PHE 17 H PHE 17 4.311 4.053 0.094 116 HA PHE 17 HA PHE 17 2.645 4.038 -2.211 117 1HB PHE 17 2HB PHE 17 2.931 2.178 -0.486 118 2HB PHE 17 1HB PHE 17 1.804 3.073 0.533 119 HD1 PHE 17 1HD PHE 17 2.149 1.711 -2.942 120 HD2 PHE 17 2HD PHE 17 -0.503 2.754 0.273 121 HE1 PHE 17 1HE PHE 17 0.242 0.753 -4.204 122 HE2 PHE 17 2HE PHE 17 -2.410 1.796 -0.990 123 HZ PHE 17 HZ PHE 17 -2.038 0.795 -3.228 124 H ALA 18 H ALA 18 2.269 5.636 0.935 125 HA ALA 18 HA ALA 18 -0.398 6.561 0.604 126 1HB ALA 18 1HB ALA 18 1.907 7.974 1.986 127 2HB ALA 18 2HB ALA 18 0.885 6.742 2.726 128 3HB ALA 18 3HB ALA 18 0.191 8.290 2.248 129 H ASN 19 H ASN 19 2.461 7.388 -1.081 130 HA ASN 19 HA ASN 19 1.945 10.108 -1.761 131 1HB ASN 19 2HB ASN 19 4.083 8.849 -2.200 132 2HB ASN 19 1HB ASN 19 3.259 8.021 -3.523 133 1HD2 ASN 19 1HD2 ASN 19 3.999 11.358 -2.371 134 2HD2 ASN 19 2HD2 ASN 19 4.107 12.028 -3.926 135 H LEU 20 H LEU 20 0.709 7.084 -3.119 136 HA LEU 20 HA LEU 20 -0.459 8.204 -5.491 137 1HB LEU 20 2HB LEU 20 -1.434 5.815 -3.897 138 2HB LEU 20 1HB LEU 20 -1.750 6.145 -5.601 139 HG LEU 20 HG LEU 20 1.004 5.702 -4.410 140 1HD1 LEU 20 1HD1 LEU 20 -0.050 3.591 -4.340 141 2HD1 LEU 20 2HD1 LEU 20 0.787 3.584 -5.894 142 3HD1 LEU 20 3HD1 LEU 20 -0.948 3.892 -5.827 143 1HD2 LEU 20 1HD2 LEU 20 -0.056 6.290 -7.167 144 2HD2 LEU 20 2HD2 LEU 20 1.432 5.366 -6.973 145 3HD2 LEU 20 3HD2 LEU 20 1.325 7.006 -6.336 146 HA PRO 21 HA PRO 21 -3.981 10.555 -4.249 147 1HB PRO 21 2HB PRO 21 -5.519 8.562 -5.906 148 2HB PRO 21 1HB PRO 21 -5.663 10.333 -5.864 149 1HG PRO 21 2HG PRO 21 -4.342 9.187 -7.824 150 2HG PRO 21 1HG PRO 21 -3.694 10.650 -7.055 151 1HD PRO 21 2HD PRO 21 -2.772 7.815 -6.772 152 2HD PRO 21 1HD PRO 21 -1.826 9.318 -6.716 153 H LEU 22 H LEU 22 -5.233 10.478 -2.436 154 HA LEU 22 HA LEU 22 -5.302 8.318 -0.670 155 1HB LEU 22 2HB LEU 22 -5.908 10.657 -0.091 156 2HB LEU 22 1HB LEU 22 -7.432 10.457 -0.955 157 HG LEU 22 HG LEU 22 -7.986 8.544 0.558 158 1HD1 LEU 22 1HD1 LEU 22 -5.290 9.291 1.636 159 2HD1 LEU 22 2HD1 LEU 22 -5.993 7.692 1.395 160 3HD1 LEU 22 3HD1 LEU 22 -6.512 8.687 2.755 161 1HD2 LEU 22 1HD2 LEU 22 -8.391 9.969 2.579 162 2HD2 LEU 22 2HD2 LEU 22 -8.861 10.762 1.075 163 3HD2 LEU 22 3HD2 LEU 22 -7.351 11.206 1.871 164 H TRP 23 H TRP 23 -7.817 9.182 -3.065 165 HA TRP 23 HA TRP 23 -9.564 7.014 -2.326 166 1HB TRP 23 2HB TRP 23 -10.807 7.572 -4.317 167 2HB TRP 23 1HB TRP 23 -10.245 9.081 -3.597 168 HD1 TRP 23 HD TRP 23 -8.552 10.527 -4.935 169 HE1 TRP 23 1HE TRP 23 -7.554 10.366 -7.307 170 HE3 TRP 23 3HE TRP 23 -10.009 5.796 -6.184 171 HZ2 TRP 23 2HZ TRP 23 -7.395 8.477 -9.450 172 HZ3 TRP 23 3HZ TRP 23 -9.423 4.841 -8.394 173 HH2 TRP 23 HH TRP 23 -8.118 6.174 -10.027 174 H ARG 24 H ARG 24 -7.053 7.342 -4.830 175 HA ARG 24 HA ARG 24 -7.556 4.873 -6.156 176 1HB ARG 24 2HB ARG 24 -6.065 6.651 -7.040 177 2HB ARG 24 1HB ARG 24 -4.890 6.264 -5.782 178 1HG ARG 24 2HG ARG 24 -4.673 3.984 -6.638 179 2HG ARG 24 1HG ARG 24 -5.912 4.299 -7.853 180 1HD ARG 24 2HD ARG 24 -4.299 5.033 -9.236 181 2HD ARG 24 1HD ARG 24 -4.012 6.373 -8.121 182 HE ARG 24 HE ARG 24 -2.579 4.319 -6.984 183 1HH1 ARG 24 1HH2 ARG 24 -2.835 5.668 -10.145 184 2HH1 ARG 24 2HH2 ARG 24 -1.184 5.353 -10.560 185 1HH2 ARG 24 1HH1 ARG 24 -0.418 3.899 -7.506 186 2HH2 ARG 24 2HH1 ARG 24 0.186 4.351 -9.064 187 H GLN 25 H GLN 25 -5.403 5.593 -3.389 188 HA GLN 25 HA GLN 25 -4.162 3.098 -3.138 189 1HB GLN 25 2HB GLN 25 -5.158 4.906 -0.921 190 2HB GLN 25 1HB GLN 25 -4.016 3.578 -0.701 191 1HG GLN 25 2HG GLN 25 -2.412 4.636 -2.195 192 2HG GLN 25 1HG GLN 25 -3.565 5.912 -2.587 193 1HE2 GLN 25 1HE2 GLN 25 -2.122 7.570 -1.705 194 2HE2 GLN 25 2HE2 GLN 25 -1.906 7.742 -0.030 195 H GLN 26 H GLN 26 -7.405 4.037 -1.955 196 HA GLN 26 HA GLN 26 -7.973 1.507 -0.711 197 1HB GLN 26 2HB GLN 26 -9.855 3.541 -1.948 198 2HB GLN 26 1HB GLN 26 -10.364 2.181 -0.946 199 1HG GLN 26 2HG GLN 26 -9.041 3.043 0.934 200 2HG GLN 26 1HG GLN 26 -8.476 4.384 -0.064 201 1HE2 GLN 26 1HE2 GLN 26 -9.973 4.812 2.364 202 2HE2 GLN 26 2HE2 GLN 26 -11.470 5.493 1.944 203 H ASN 27 H ASN 27 -8.327 2.739 -3.997 204 HA ASN 27 HA ASN 27 -9.802 0.544 -5.086 205 1HB ASN 27 2HB ASN 27 -9.335 2.801 -6.182 206 2HB ASN 27 1HB ASN 27 -7.724 2.187 -6.558 207 1HD2 ASN 27 1HD2 ASN 27 -7.585 1.209 -8.577 208 2HD2 ASN 27 2HD2 ASN 27 -8.875 0.472 -9.398 209 H LEU 28 H LEU 28 -6.278 1.188 -5.078 210 HA LEU 28 HA LEU 28 -5.608 -1.392 -6.198 211 1HB LEU 28 2HB LEU 28 -3.852 0.457 -4.559 212 2HB LEU 28 1HB LEU 28 -3.309 -0.810 -5.657 213 HG LEU 28 HG LEU 28 -4.825 1.703 -6.417 214 1HD1 LEU 28 1HD1 LEU 28 -2.743 2.197 -7.675 215 2HD1 LEU 28 2HD1 LEU 28 -2.015 0.730 -7.023 216 3HD1 LEU 28 3HD1 LEU 28 -2.438 2.058 -5.943 217 1HD2 LEU 28 1HD2 LEU 28 -4.106 -0.802 -7.925 218 2HD2 LEU 28 2HD2 LEU 28 -4.199 0.741 -8.775 219 3HD2 LEU 28 3HD2 LEU 28 -5.618 0.106 -7.942 220 H ARG 29 H ARG 29 -6.053 -0.190 -2.912 221 HA ARG 29 HA ARG 29 -4.824 -2.536 -1.691 222 1HB ARG 29 2HB ARG 29 -6.443 -0.225 -0.620 223 2HB ARG 29 1HB ARG 29 -5.943 -1.569 0.409 224 1HG ARG 29 2HG ARG 29 -3.583 -1.172 -0.229 225 2HG ARG 29 1HG ARG 29 -4.091 0.193 -1.223 226 1HD ARG 29 2HD ARG 29 -4.511 -0.050 1.771 227 2HD ARG 29 1HD ARG 29 -3.296 0.957 0.986 228 HE ARG 29 HE ARG 29 -5.684 1.779 -0.157 229 1HH1 ARG 29 1HH2 ARG 29 -4.441 1.384 3.037 230 2HH1 ARG 29 2HH2 ARG 29 -5.390 2.669 3.706 231 1HH2 ARG 29 1HH1 ARG 29 -6.927 3.455 0.698 232 2HH2 ARG 29 2HH1 ARG 29 -6.798 3.842 2.381 233 H ARG 30 H ARG 30 -8.218 -1.429 -2.105 234 HA ARG 30 HA ARG 30 -9.365 -3.740 -0.855 235 1HB ARG 30 2HB ARG 30 -10.435 -1.800 -2.915 236 2HB ARG 30 1HB ARG 30 -11.410 -3.120 -2.267 237 1HG ARG 30 2HG ARG 30 -11.020 -2.269 0.027 238 2HG ARG 30 1HG ARG 30 -10.078 -0.934 -0.639 239 1HD ARG 30 2HD ARG 30 -13.004 -1.497 -1.205 240 2HD ARG 30 1HD ARG 30 -12.377 -0.200 -0.189 241 HE ARG 30 HE ARG 30 -11.124 0.205 -2.627 242 1HH1 ARG 30 1HH2 ARG 30 -14.365 -0.203 -1.518 243 2HH1 ARG 30 2HH2 ARG 30 -15.052 0.802 -2.750 244 1HH2 ARG 30 1HH1 ARG 30 -12.002 1.516 -4.239 245 2HH2 ARG 30 2HH1 ARG 30 -13.714 1.775 -4.291 246 H GLU 31 H GLU 31 -8.472 -3.047 -4.228 247 HA GLU 31 HA GLU 31 -9.468 -5.483 -5.355 248 1HB GLU 31 2HB GLU 31 -8.624 -3.435 -6.619 249 2HB GLU 31 1HB GLU 31 -6.989 -3.990 -6.264 250 1HG GLU 31 2HG GLU 31 -7.520 -6.159 -7.368 251 2HG GLU 31 1HG GLU 31 -9.111 -5.525 -7.791 252 H ARG 32 H ARG 32 -6.796 -4.812 -3.291 253 HA ARG 32 HA ARG 32 -5.401 -7.319 -4.032 254 1HB ARG 32 2HB ARG 32 -4.334 -4.963 -3.447 255 2HB ARG 32 1HB ARG 32 -4.491 -5.557 -1.794 256 1HG ARG 32 2HG ARG 32 -2.426 -6.446 -2.287 257 2HG ARG 32 1HG ARG 32 -3.436 -7.756 -2.902 258 1HD ARG 32 2HD ARG 32 -2.570 -5.438 -4.639 259 2HD ARG 32 1HD ARG 32 -1.609 -6.907 -4.482 260 HE ARG 32 HE ARG 32 -4.124 -7.852 -5.131 261 1HH1 ARG 32 1HH2 ARG 32 -1.955 -5.497 -6.409 262 2HH1 ARG 32 2HH2 ARG 32 -2.466 -5.722 -8.049 263 1HH2 ARG 32 1HH1 ARG 32 -4.803 -8.160 -7.264 264 2HH2 ARG 32 2HH1 ARG 32 -4.079 -7.231 -8.532 265 H GLY 33 H GLY 33 -7.838 -6.381 -1.895 266 1HA GLY 33 2HA GLY 33 -8.921 -7.885 -0.369 267 2HA GLY 33 1HA GLY 33 -7.470 -8.888 -0.370 268 H LEU 34 H LEU 34 -6.327 -5.836 -0.015 269 HA LEU 34 HA LEU 34 -6.297 -6.120 2.958 270 1HB LEU 34 2HB LEU 34 -4.455 -4.413 1.268 271 2HB LEU 34 1HB LEU 34 -4.231 -4.903 2.948 272 HG LEU 34 HG LEU 34 -4.240 -6.742 0.537 273 1HD1 LEU 34 1HD1 LEU 34 -2.061 -5.805 2.425 274 2HD1 LEU 34 2HD1 LEU 34 -2.168 -5.495 0.693 275 3HD1 LEU 34 3HD1 LEU 34 -1.864 -7.130 1.279 276 1HD2 LEU 34 1HD2 LEU 34 -4.159 -7.226 3.514 277 2HD2 LEU 34 2HD2 LEU 34 -3.427 -8.376 2.394 278 3HD2 LEU 34 3HD2 LEU 34 -5.153 -8.026 2.296 279 H PHE 35 H PHE 35 -7.140 -4.492 4.218 280 HA PHE 35 HA PHE 35 -7.462 -1.772 3.331 281 1HB PHE 35 2HB PHE 35 -9.862 -1.696 3.029 282 2HB PHE 35 1HB PHE 35 -9.220 -2.931 1.945 283 HD1 PHE 35 1HD PHE 35 -11.276 -2.273 4.894 284 HD2 PHE 35 2HD PHE 35 -9.444 -5.341 2.511 285 HE1 PHE 35 1HE PHE 35 -12.727 -3.973 5.970 286 HE2 PHE 35 2HE PHE 35 -10.895 -7.042 3.586 287 HZ PHE 35 HZ PHE 35 -12.535 -6.358 5.315 Start of MODEL 8 1 1H LEU 1 1HT LEU 1 -0.593 -2.871 11.856 2 2H LEU 1 2HT LEU 1 0.925 -2.109 11.889 3 3H LEU 1 3HT LEU 1 0.809 -3.760 11.507 4 HA LEU 1 HA LEU 1 -0.825 -2.605 9.673 5 1HB LEU 1 2HB LEU 1 1.534 -0.840 10.328 6 2HB LEU 1 1HB LEU 1 0.856 -0.886 8.700 7 HG LEU 1 HG LEU 1 -1.377 -0.330 9.637 8 1HD1 LEU 1 1HD1 LEU 1 0.214 -0.338 12.203 9 2HD1 LEU 1 2HD1 LEU 1 -1.304 -1.162 11.852 10 3HD1 LEU 1 3HD1 LEU 1 -1.278 0.590 12.052 11 1HD2 LEU 1 1HD2 LEU 1 -0.811 2.022 10.288 12 2HD2 LEU 1 2HD2 LEU 1 0.029 1.492 8.830 13 3HD2 LEU 1 3HD2 LEU 1 0.888 1.553 10.370 14 H SER 2 H SER 2 1.712 -4.396 10.751 15 HA SER 2 HA SER 2 3.316 -5.770 9.702 16 1HB SER 2 2HB SER 2 2.369 -7.185 8.093 17 2HB SER 2 1HB SER 2 0.946 -6.573 8.929 18 HG SER 2 HG SER 2 0.825 -4.956 7.275 19 H ASP 3 H ASP 3 4.278 -3.335 9.392 20 HA ASP 3 HA ASP 3 4.421 -2.196 6.806 21 1HB ASP 3 2HB ASP 3 6.547 -2.313 8.970 22 2HB ASP 3 1HB ASP 3 6.611 -1.257 7.558 23 H GLU 4 H GLU 4 6.176 -4.913 8.229 24 HA GLU 4 HA GLU 4 8.048 -5.252 6.065 25 1HB GLU 4 2HB GLU 4 8.177 -6.308 8.388 26 2HB GLU 4 1HB GLU 4 6.953 -7.452 7.834 27 1HG GLU 4 2HG GLU 4 8.443 -8.072 5.932 28 2HG GLU 4 1HG GLU 4 9.683 -7.003 6.592 29 H ASP 5 H ASP 5 4.931 -6.831 6.815 30 HA ASP 5 HA ASP 5 4.843 -8.366 4.384 31 1HB ASP 5 2HB ASP 5 3.440 -8.634 6.560 32 2HB ASP 5 1HB ASP 5 2.388 -7.411 5.848 33 H PHE 6 H PHE 6 3.508 -5.201 5.306 34 HA PHE 6 HA PHE 6 2.051 -4.651 2.947 35 1HB PHE 6 2HB PHE 6 1.946 -3.219 4.943 36 2HB PHE 6 1HB PHE 6 3.622 -2.731 4.693 37 HD1 PHE 6 1HD PHE 6 0.162 -2.372 3.532 38 HD2 PHE 6 2HD PHE 6 4.253 -1.302 2.786 39 HE1 PHE 6 1HE PHE 6 -0.588 -0.584 1.985 40 HE2 PHE 6 2HE PHE 6 3.504 0.486 1.239 41 HZ PHE 6 HZ PHE 6 1.084 0.844 0.838 42 H ARG 7 H ARG 7 5.380 -3.545 3.694 43 HA ARG 7 HA ARG 7 6.005 -2.450 1.201 44 1HB ARG 7 2HB ARG 7 7.485 -2.334 3.187 45 2HB ARG 7 1HB ARG 7 7.872 -4.043 2.987 46 1HG ARG 7 2HG ARG 7 8.851 -3.608 0.797 47 2HG ARG 7 1HG ARG 7 8.367 -1.914 0.885 48 1HD ARG 7 2HD ARG 7 10.683 -2.002 1.515 49 2HD ARG 7 1HD ARG 7 9.764 -1.736 2.994 50 HE ARG 7 HE ARG 7 10.006 -4.498 2.832 51 1HH1 ARG 7 1HH2 ARG 7 12.128 -1.782 2.757 52 2HH1 ARG 7 2HH2 ARG 7 13.457 -2.635 3.470 53 1HH2 ARG 7 1HH1 ARG 7 11.725 -5.625 3.762 54 2HH2 ARG 7 2HH1 ARG 7 13.229 -4.811 4.038 55 H ALA 8 H ALA 8 6.020 -5.856 2.157 56 HA ALA 8 HA ALA 8 7.277 -6.833 -0.245 57 1HB ALA 8 1HB ALA 8 6.349 -9.030 0.466 58 2HB ALA 8 2HB ALA 8 5.417 -8.209 1.719 59 3HB ALA 8 3HB ALA 8 7.180 -8.199 1.780 60 H VAL 9 H VAL 9 3.965 -5.986 0.576 61 HA VAL 9 HA VAL 9 2.785 -7.388 -1.675 62 HB VAL 9 HB VAL 9 1.722 -5.186 0.111 63 1HG1 VAL 9 1HG1 VAL 9 0.441 -6.783 -2.115 64 2HG1 VAL 9 2HG1 VAL 9 0.479 -5.031 -1.918 65 3HG1 VAL 9 3HG1 VAL 9 -0.509 -6.019 -0.842 66 1HG2 VAL 9 1HG2 VAL 9 0.603 -6.940 1.276 67 2HG2 VAL 9 2HG2 VAL 9 2.249 -7.527 1.038 68 3HG2 VAL 9 3HG2 VAL 9 0.947 -8.108 0.000 69 1HN PF5 10 H PF5 10 3.480 -3.907 -1.082 70 HA PF5 10 HA PF5 10 2.952 -3.448 -3.976 71 1HB PF5 10 1HB PF5 10 2.734 -1.105 -3.399 72 2HB PF5 10 2HB PF5 10 3.353 -1.410 -1.770 73 H GLY 11 H GLY 11 5.549 -3.693 -1.738 74 1HA GLY 11 2HA GLY 11 7.849 -3.806 -2.374 75 2HA GLY 11 1HA GLY 11 7.430 -3.074 -3.923 76 H MET 12 H MET 12 6.070 -1.477 -1.223 77 HA MET 12 HA MET 12 8.366 0.343 -0.874 78 1HB MET 12 2HB MET 12 6.795 2.325 -1.358 79 2HB MET 12 1HB MET 12 7.404 1.434 -2.752 80 1HG MET 12 2HG MET 12 5.324 0.113 -2.826 81 2HG MET 12 1HG MET 12 4.711 0.994 -1.427 82 1HE MET 12 1HE MET 12 5.116 0.701 -5.076 83 2HE MET 12 2HE MET 12 6.511 1.759 -4.878 84 3HE MET 12 3HE MET 12 5.099 2.331 -5.763 85 H THR 13 H THR 13 8.027 1.808 0.956 86 HA THR 13 HA THR 13 6.546 0.554 3.101 87 HB THR 13 HB THR 13 7.173 2.759 4.301 88 HG1 THR 13 1HG THR 13 7.596 3.507 1.883 89 1HG2 THR 13 1HG2 THR 13 9.515 2.051 4.512 90 2HG2 THR 13 2HG2 THR 13 9.359 1.068 3.056 91 3HG2 THR 13 3HG2 THR 13 8.446 0.647 4.506 92 H ARG 14 H ARG 14 4.742 1.504 4.269 93 HA ARG 14 HA ARG 14 2.607 2.415 2.665 94 1HB ARG 14 2HB ARG 14 3.060 2.863 5.630 95 2HB ARG 14 1HB ARG 14 1.520 3.079 4.798 96 1HG ARG 14 2HG ARG 14 1.789 0.650 4.006 97 2HG ARG 14 1HG ARG 14 3.067 0.516 5.215 98 1HD ARG 14 2HD ARG 14 1.048 -0.220 6.297 99 2HD ARG 14 1HD ARG 14 1.390 1.386 6.921 100 HE ARG 14 HE ARG 14 -0.265 1.839 4.732 101 1HH1 ARG 14 1HH2 ARG 14 -0.375 -0.117 7.578 102 2HH1 ARG 14 2HH2 ARG 14 -2.097 -0.009 7.742 103 1HH2 ARG 14 1HH1 ARG 14 -2.510 1.978 4.932 104 2HH2 ARG 14 2HH1 ARG 14 -3.302 1.176 6.247 105 H SER 15 H SER 15 5.208 4.214 4.191 106 HA SER 15 HA SER 15 3.997 6.808 4.116 107 1HB SER 15 2HB SER 15 6.247 7.683 4.333 108 2HB SER 15 1HB SER 15 6.131 6.230 5.321 109 HG SER 15 HG SER 15 7.323 5.140 3.881 110 H ALA 16 H ALA 16 6.047 5.088 1.758 111 HA ALA 16 HA ALA 16 5.867 7.217 -0.211 112 1HB ALA 16 1HB ALA 16 6.832 4.362 -0.251 113 2HB ALA 16 2HB ALA 16 7.763 5.845 -0.469 114 3HB ALA 16 3HB ALA 16 6.685 5.283 -1.747 115 H PHE 17 H PHE 17 4.241 4.086 0.277 116 HA PHE 17 HA PHE 17 2.661 4.112 -2.087 117 1HB PHE 17 2HB PHE 17 2.916 2.194 -0.439 118 2HB PHE 17 1HB PHE 17 1.768 3.037 0.599 119 HD1 PHE 17 1HD PHE 17 2.191 1.716 -2.875 120 HD2 PHE 17 2HD PHE 17 -0.551 2.810 0.247 121 HE1 PHE 17 1HE PHE 17 0.311 0.790 -4.201 122 HE2 PHE 17 2HE PHE 17 -2.430 1.884 -1.080 123 HZ PHE 17 HZ PHE 17 -1.999 0.875 -3.304 124 H ALA 18 H ALA 18 2.125 5.587 1.096 125 HA ALA 18 HA ALA 18 -0.542 6.469 0.703 126 1HB ALA 18 1HB ALA 18 0.674 6.622 2.868 127 2HB ALA 18 2HB ALA 18 -0.049 8.164 2.409 128 3HB ALA 18 3HB ALA 18 1.682 7.901 2.191 129 H ASN 19 H ASN 19 2.359 7.426 -0.849 130 HA ASN 19 HA ASN 19 1.767 10.145 -1.480 131 1HB ASN 19 2HB ASN 19 3.967 8.901 -1.841 132 2HB ASN 19 1HB ASN 19 3.231 8.211 -3.289 133 1HD2 ASN 19 1HD2 ASN 19 5.148 9.545 -4.280 134 2HD2 ASN 19 2HD2 ASN 19 4.809 11.157 -4.690 135 H LEU 20 H LEU 20 0.721 7.110 -2.964 136 HA LEU 20 HA LEU 20 -0.349 8.217 -5.381 137 1HB LEU 20 2HB LEU 20 -1.307 5.791 -3.832 138 2HB LEU 20 1HB LEU 20 -1.634 6.134 -5.532 139 HG LEU 20 HG LEU 20 1.148 5.801 -4.373 140 1HD1 LEU 20 1HD1 LEU 20 0.996 3.628 -5.770 141 2HD1 LEU 20 2HD1 LEU 20 -0.750 3.862 -5.695 142 3HD1 LEU 20 3HD1 LEU 20 0.175 3.653 -4.208 143 1HD2 LEU 20 1HD2 LEU 20 -0.003 6.261 -7.117 144 2HD2 LEU 20 2HD2 LEU 20 1.522 5.395 -6.938 145 3HD2 LEU 20 3HD2 LEU 20 1.373 7.050 -6.347 146 HA PRO 21 HA PRO 21 -3.988 10.474 -4.314 147 1HB PRO 21 2HB PRO 21 -5.383 8.503 -6.113 148 2HB PRO 21 1HB PRO 21 -5.542 10.272 -6.049 149 1HG PRO 21 2HG PRO 21 -4.085 9.176 -7.937 150 2HG PRO 21 1HG PRO 21 -3.497 10.622 -7.094 151 1HD PRO 21 2HD PRO 21 -2.597 7.778 -6.796 152 2HD PRO 21 1HD PRO 21 -1.651 9.277 -6.677 153 H LEU 22 H LEU 22 -5.378 10.332 -2.605 154 HA LEU 22 HA LEU 22 -5.541 8.103 -0.916 155 1HB LEU 22 2HB LEU 22 -7.614 10.286 -1.261 156 2HB LEU 22 1HB LEU 22 -7.437 9.247 0.153 157 HG LEU 22 HG LEU 22 -5.332 11.165 -0.895 158 1HD1 LEU 22 1HD1 LEU 22 -5.815 12.275 1.356 159 2HD1 LEU 22 2HD1 LEU 22 -7.264 11.273 1.432 160 3HD1 LEU 22 3HD1 LEU 22 -7.072 12.447 0.131 161 1HD2 LEU 22 1HD2 LEU 22 -5.397 9.084 1.266 162 2HD2 LEU 22 2HD2 LEU 22 -4.453 10.549 1.527 163 3HD2 LEU 22 3HD2 LEU 22 -4.090 9.500 0.157 164 H TRP 23 H TRP 23 -7.956 9.109 -3.367 165 HA TRP 23 HA TRP 23 -9.750 6.939 -2.870 166 1HB TRP 23 2HB TRP 23 -10.807 7.550 -4.939 167 2HB TRP 23 1HB TRP 23 -10.248 9.043 -4.186 168 HD1 TRP 23 HD TRP 23 -8.480 10.451 -5.438 169 HE1 TRP 23 1HE TRP 23 -7.279 10.222 -7.706 170 HE3 TRP 23 3HE TRP 23 -9.827 5.683 -6.670 171 HZ2 TRP 23 2HZ TRP 23 -6.935 8.272 -9.772 172 HZ3 TRP 23 3HZ TRP 23 -9.051 4.665 -8.790 173 HH2 TRP 23 HH TRP 23 -7.607 5.952 -10.342 174 H ARG 24 H ARG 24 -6.940 7.219 -5.018 175 HA ARG 24 HA ARG 24 -7.382 4.741 -6.408 176 1HB ARG 24 2HB ARG 24 -5.854 6.518 -7.226 177 2HB ARG 24 1HB ARG 24 -4.763 6.173 -5.883 178 1HG ARG 24 2HG ARG 24 -4.455 3.881 -6.674 179 2HG ARG 24 1HG ARG 24 -5.617 4.150 -7.974 180 1HD ARG 24 2HD ARG 24 -3.950 4.918 -9.271 181 2HD ARG 24 1HD ARG 24 -3.708 6.245 -8.133 182 HE ARG 24 HE ARG 24 -2.355 4.156 -6.947 183 1HH1 ARG 24 1HH2 ARG 24 -2.426 5.580 -10.086 184 2HH1 ARG 24 2HH2 ARG 24 -0.755 5.264 -10.414 185 1HH2 ARG 24 1HH1 ARG 24 -0.170 3.738 -7.355 186 2HH2 ARG 24 2HH1 ARG 24 0.523 4.222 -8.867 187 H GLN 25 H GLN 25 -5.332 5.527 -3.571 188 HA GLN 25 HA GLN 25 -4.149 3.025 -3.187 189 1HB GLN 25 2HB GLN 25 -5.206 4.923 -1.076 190 2HB GLN 25 1HB GLN 25 -4.109 3.578 -0.757 191 1HG GLN 25 2HG GLN 25 -2.429 4.548 -2.255 192 2HG GLN 25 1HG GLN 25 -3.528 5.867 -2.665 193 1HE2 GLN 25 1HE2 GLN 25 -2.168 7.530 -1.740 194 2HE2 GLN 25 2HE2 GLN 25 -1.925 7.665 -0.066 195 H GLN 26 H GLN 26 -7.392 4.054 -2.049 196 HA GLN 26 HA GLN 26 -8.060 1.552 -0.823 197 1HB GLN 26 2HB GLN 26 -9.864 3.597 -2.156 198 2HB GLN 26 1HB GLN 26 -10.426 2.270 -1.140 199 1HG GLN 26 2HG GLN 26 -9.137 3.150 0.757 200 2HG GLN 26 1HG GLN 26 -8.529 4.461 -0.252 201 1HE2 GLN 26 1HE2 GLN 26 -10.129 4.881 2.151 202 2HE2 GLN 26 2HE2 GLN 26 -11.585 5.607 1.667 203 H ASN 27 H ASN 27 -8.322 2.750 -4.135 204 HA ASN 27 HA ASN 27 -9.777 0.556 -5.240 205 1HB ASN 27 2HB ASN 27 -9.222 2.802 -6.341 206 2HB ASN 27 1HB ASN 27 -7.630 2.127 -6.685 207 1HD2 ASN 27 1HD2 ASN 27 -9.514 -0.547 -6.778 208 2HD2 ASN 27 2HD2 ASN 27 -9.965 -0.547 -8.414 209 H LEU 28 H LEU 28 -6.248 1.151 -5.108 210 HA LEU 28 HA LEU 28 -5.588 -1.473 -6.150 211 1HB LEU 28 2HB LEU 28 -3.841 0.419 -4.550 212 2HB LEU 28 1HB LEU 28 -3.292 -0.898 -5.585 213 HG LEU 28 HG LEU 28 -4.771 1.594 -6.479 214 1HD1 LEU 28 1HD1 LEU 28 -2.437 2.046 -6.008 215 2HD1 LEU 28 2HD1 LEU 28 -2.627 1.944 -7.759 216 3HD1 LEU 28 3HD1 LEU 28 -1.936 0.588 -6.866 217 1HD2 LEU 28 1HD2 LEU 28 -4.023 -0.972 -7.867 218 2HD2 LEU 28 2HD2 LEU 28 -4.087 0.536 -8.780 219 3HD2 LEU 28 3HD2 LEU 28 -5.530 -0.061 -7.962 220 H ARG 29 H ARG 29 -6.012 -0.127 -2.907 221 HA ARG 29 HA ARG 29 -4.902 -2.492 -1.607 222 1HB ARG 29 2HB ARG 29 -6.417 -0.085 -0.586 223 2HB ARG 29 1HB ARG 29 -5.898 -1.402 0.469 224 1HG ARG 29 2HG ARG 29 -3.558 -1.065 -0.300 225 2HG ARG 29 1HG ARG 29 -4.096 0.299 -1.280 226 1HD ARG 29 2HD ARG 29 -4.440 0.104 1.726 227 2HD ARG 29 1HD ARG 29 -3.163 1.013 0.921 228 HE ARG 29 HE ARG 29 -5.494 1.990 -0.218 229 1HH1 ARG 29 1HH2 ARG 29 -4.263 1.543 2.974 230 2HH1 ARG 29 2HH2 ARG 29 -5.116 2.899 3.633 231 1HH2 ARG 29 1HH1 ARG 29 -6.611 3.758 0.624 232 2HH2 ARG 29 2HH1 ARG 29 -6.445 4.153 2.302 233 H ARG 30 H ARG 30 -8.231 -1.196 -2.014 234 HA ARG 30 HA ARG 30 -9.530 -3.340 -0.663 235 1HB ARG 30 2HB ARG 30 -10.638 -1.205 -1.396 236 2HB ARG 30 1HB ARG 30 -10.616 -1.817 -3.051 237 1HG ARG 30 2HG ARG 30 -11.991 -3.720 -2.420 238 2HG ARG 30 1HG ARG 30 -11.905 -3.263 -0.718 239 1HD ARG 30 2HD ARG 30 -13.110 -1.520 -2.886 240 2HD ARG 30 1HD ARG 30 -14.046 -2.564 -1.820 241 HE ARG 30 HE ARG 30 -12.550 -1.021 -0.076 242 1HH1 ARG 30 1HH2 ARG 30 -14.657 -0.434 -2.743 243 2HH1 ARG 30 2HH2 ARG 30 -15.226 1.082 -2.129 244 1HH2 ARG 30 1HH1 ARG 30 -13.280 0.952 0.740 245 2HH2 ARG 30 2HH1 ARG 30 -14.447 1.867 -0.157 246 H GLU 31 H GLU 31 -8.631 -2.967 -4.093 247 HA GLU 31 HA GLU 31 -9.674 -5.482 -4.981 248 1HB GLU 31 2HB GLU 31 -8.830 -3.575 -6.443 249 2HB GLU 31 1HB GLU 31 -7.195 -4.104 -6.053 250 1HG GLU 31 2HG GLU 31 -7.742 -6.361 -6.945 251 2HG GLU 31 1HG GLU 31 -9.339 -5.768 -7.402 252 H ARG 32 H ARG 32 -6.952 -4.654 -3.036 253 HA ARG 32 HA ARG 32 -5.531 -7.175 -3.581 254 1HB ARG 32 2HB ARG 32 -4.435 -4.898 -3.077 255 2HB ARG 32 1HB ARG 32 -4.876 -5.203 -1.396 256 1HG ARG 32 2HG ARG 32 -2.787 -6.184 -1.416 257 2HG ARG 32 1HG ARG 32 -3.758 -7.568 -1.915 258 1HD ARG 32 2HD ARG 32 -3.365 -6.785 -4.324 259 2HD ARG 32 1HD ARG 32 -2.132 -5.712 -3.661 260 HE ARG 32 HE ARG 32 -1.484 -8.200 -2.619 261 1HH1 ARG 32 1HH2 ARG 32 -2.096 -6.871 -5.741 262 2HH1 ARG 32 2HH2 ARG 32 -1.015 -7.948 -6.558 263 1HH2 ARG 32 1HH1 ARG 32 -0.069 -9.616 -3.668 264 2HH2 ARG 32 2HH1 ARG 32 0.133 -9.502 -5.385 265 H GLY 33 H GLY 33 -7.874 -5.979 -1.308 266 1HA GLY 33 2HA GLY 33 -9.099 -7.418 0.182 267 2HA GLY 33 1HA GLY 33 -7.805 -8.609 0.052 268 H LEU 34 H LEU 34 -6.226 -5.771 0.492 269 HA LEU 34 HA LEU 34 -5.984 -6.284 3.412 270 1HB LEU 34 2HB LEU 34 -4.258 -4.439 1.752 271 2HB LEU 34 1HB LEU 34 -3.876 -5.178 3.307 272 HG LEU 34 HG LEU 34 -4.187 -6.602 0.649 273 1HD1 LEU 34 1HD1 LEU 34 -1.852 -6.125 2.523 274 2HD1 LEU 34 2HD1 LEU 34 -2.028 -5.534 0.870 275 3HD1 LEU 34 3HD1 LEU 34 -1.806 -7.257 1.172 276 1HD2 LEU 34 1HD2 LEU 34 -5.103 -8.096 2.247 277 2HD2 LEU 34 2HD2 LEU 34 -3.943 -7.615 3.485 278 3HD2 LEU 34 3HD2 LEU 34 -3.415 -8.591 2.114 279 H PHE 35 H PHE 35 -7.317 -4.032 1.181 280 HA PHE 35 HA PHE 35 -8.172 -1.847 1.477 281 1HB PHE 35 2HB PHE 35 -9.941 -1.893 2.955 282 2HB PHE 35 1HB PHE 35 -9.584 -3.620 2.905 283 HD1 PHE 35 1HD PHE 35 -9.054 -0.488 4.831 284 HD2 PHE 35 2HD PHE 35 -8.682 -4.768 4.805 285 HE1 PHE 35 1HE PHE 35 -8.558 -0.461 7.260 286 HE2 PHE 35 2HE PHE 35 -8.185 -4.740 7.234 287 HZ PHE 35 HZ PHE 35 -8.123 -2.587 8.462 Start of MODEL 9 1 1H LEU 1 1HT LEU 1 0.260 -1.372 12.067 2 2H LEU 1 2HT LEU 1 1.202 -0.248 11.210 3 3H LEU 1 3HT LEU 1 1.903 -1.686 11.780 4 HA LEU 1 HA LEU 1 -0.235 -2.486 10.234 5 1HB LEU 1 2HB LEU 1 1.283 -0.139 9.097 6 2HB LEU 1 1HB LEU 1 0.579 -1.366 8.042 7 HG LEU 1 HG LEU 1 -1.630 -0.986 9.129 8 1HD1 LEU 1 1HD1 LEU 1 -0.003 1.062 10.635 9 2HD1 LEU 1 2HD1 LEU 1 -1.084 -0.170 11.283 10 3HD1 LEU 1 3HD1 LEU 1 -1.748 1.233 10.448 11 1HD2 LEU 1 1HD2 LEU 1 -2.088 1.128 8.022 12 2HD2 LEU 1 2HD2 LEU 1 -0.907 0.244 7.055 13 3HD2 LEU 1 3HD2 LEU 1 -0.382 1.575 8.087 14 H SER 2 H SER 2 0.539 -4.120 8.797 15 HA SER 2 HA SER 2 3.043 -5.300 9.500 16 1HB SER 2 2HB SER 2 0.933 -6.359 8.376 17 2HB SER 2 1HB SER 2 1.685 -5.844 6.869 18 HG SER 2 HG SER 2 2.391 -7.842 8.629 19 H ASP 3 H ASP 3 4.356 -3.248 9.183 20 HA ASP 3 HA ASP 3 4.864 -2.145 6.607 21 1HB ASP 3 2HB ASP 3 6.928 -1.271 7.572 22 2HB ASP 3 1HB ASP 3 5.638 -1.143 8.769 23 H GLU 4 H GLU 4 6.051 -5.045 8.196 24 HA GLU 4 HA GLU 4 8.177 -5.560 6.288 25 1HB GLU 4 2HB GLU 4 7.904 -6.550 8.657 26 2HB GLU 4 1HB GLU 4 6.747 -7.659 7.923 27 1HG GLU 4 2HG GLU 4 8.873 -8.770 7.882 28 2HG GLU 4 1HG GLU 4 8.549 -8.243 6.229 29 H ASP 5 H ASP 5 4.936 -7.002 6.768 30 HA ASP 5 HA ASP 5 5.035 -8.470 4.275 31 1HB ASP 5 2HB ASP 5 3.561 -8.928 6.356 32 2HB ASP 5 1HB ASP 5 2.499 -7.677 5.708 33 H PHE 6 H PHE 6 3.563 -5.401 5.297 34 HA PHE 6 HA PHE 6 2.135 -4.752 2.967 35 1HB PHE 6 2HB PHE 6 2.056 -3.369 4.991 36 2HB PHE 6 1HB PHE 6 3.743 -2.907 4.760 37 HD1 PHE 6 1HD PHE 6 0.294 -2.460 3.582 38 HD2 PHE 6 2HD PHE 6 4.409 -1.420 2.917 39 HE1 PHE 6 1HE PHE 6 -0.414 -0.611 2.087 40 HE2 PHE 6 2HE PHE 6 3.700 0.427 1.422 41 HZ PHE 6 HZ PHE 6 1.288 0.832 1.007 42 H ARG 7 H ARG 7 5.489 -3.720 3.704 43 HA ARG 7 HA ARG 7 6.097 -2.554 1.237 44 1HB ARG 7 2HB ARG 7 7.588 -2.556 3.243 45 2HB ARG 7 1HB ARG 7 7.991 -4.239 2.905 46 1HG ARG 7 2HG ARG 7 8.851 -3.581 0.682 47 2HG ARG 7 1HG ARG 7 8.464 -1.898 1.036 48 1HD ARG 7 2HD ARG 7 10.372 -3.621 2.643 49 2HD ARG 7 1HD ARG 7 10.854 -2.399 1.469 50 HE ARG 7 HE ARG 7 9.201 -1.029 3.230 51 1HH1 ARG 7 1HH2 ARG 7 12.000 -3.030 3.459 52 2HH1 ARG 7 2HH2 ARG 7 12.610 -2.240 4.874 53 1HH2 ARG 7 1HH1 ARG 7 9.982 0.012 5.073 54 2HH2 ARG 7 2HH1 ARG 7 11.467 -0.517 5.788 55 H ALA 8 H ALA 8 6.109 -5.989 2.098 56 HA ALA 8 HA ALA 8 7.301 -6.898 -0.366 57 1HB ALA 8 1HB ALA 8 5.476 -8.348 1.573 58 2HB ALA 8 2HB ALA 8 7.237 -8.302 1.658 59 3HB ALA 8 3HB ALA 8 6.439 -9.116 0.312 60 H VAL 9 H VAL 9 4.020 -6.059 0.567 61 HA VAL 9 HA VAL 9 2.758 -7.417 -1.663 62 HB VAL 9 HB VAL 9 1.775 -5.207 0.158 63 1HG1 VAL 9 1HG1 VAL 9 0.409 -6.806 -2.017 64 2HG1 VAL 9 2HG1 VAL 9 0.469 -5.053 -1.832 65 3HG1 VAL 9 3HG1 VAL 9 -0.492 -6.025 -0.718 66 1HG2 VAL 9 1HG2 VAL 9 0.681 -6.949 1.366 67 2HG2 VAL 9 2HG2 VAL 9 2.315 -7.549 1.077 68 3HG2 VAL 9 3HG2 VAL 9 0.975 -8.124 0.085 69 1HN PF5 10 H PF5 10 3.473 -3.940 -1.063 70 HA PF5 10 HA PF5 10 2.890 -3.463 -3.942 71 1HB PF5 10 1HB PF5 10 2.678 -1.127 -3.347 72 2HB PF5 10 2HB PF5 10 3.344 -1.434 -1.737 73 H GLY 11 H GLY 11 5.523 -3.518 -1.666 74 1HA GLY 11 2HA GLY 11 7.816 -3.705 -2.393 75 2HA GLY 11 1HA GLY 11 7.364 -2.945 -3.919 76 H MET 12 H MET 12 5.955 -1.309 -1.331 77 HA MET 12 HA MET 12 8.287 0.495 -0.965 78 1HB MET 12 2HB MET 12 6.682 2.460 -1.319 79 2HB MET 12 1HB MET 12 7.174 1.588 -2.772 80 1HG MET 12 2HG MET 12 4.699 0.735 -1.297 81 2HG MET 12 1HG MET 12 4.630 2.118 -2.388 82 1HE MET 12 1HE MET 12 6.087 1.848 -4.828 83 2HE MET 12 2HE MET 12 4.342 2.062 -4.713 84 3HE MET 12 3HE MET 12 5.004 0.876 -5.834 85 H THR 13 H THR 13 7.794 2.124 0.815 86 HA THR 13 HA THR 13 6.503 0.711 3.038 87 HB THR 13 HB THR 13 7.260 2.733 4.346 88 HG1 THR 13 1HG THR 13 7.222 3.943 2.188 89 1HG2 THR 13 1HG2 THR 13 9.418 1.480 2.630 90 2HG2 THR 13 2HG2 THR 13 8.666 0.679 4.008 91 3HG2 THR 13 3HG2 THR 13 9.609 2.150 4.249 92 H ARG 14 H ARG 14 4.774 1.667 4.321 93 HA ARG 14 HA ARG 14 2.568 2.625 2.859 94 1HB ARG 14 2HB ARG 14 3.278 2.878 5.787 95 2HB ARG 14 1HB ARG 14 1.744 3.460 5.138 96 1HG ARG 14 2HG ARG 14 2.588 0.679 4.435 97 2HG ARG 14 1HG ARG 14 1.997 0.971 6.071 98 1HD ARG 14 2HD ARG 14 0.508 1.718 3.533 99 2HD ARG 14 1HD ARG 14 0.151 0.324 4.543 100 HE ARG 14 HE ARG 14 0.059 2.480 6.297 101 1HH1 ARG 14 1HH2 ARG 14 -1.389 1.670 3.265 102 2HH1 ARG 14 2HH2 ARG 14 -2.864 2.516 3.598 103 1HH2 ARG 14 1HH1 ARG 14 -1.858 3.592 6.735 104 2HH2 ARG 14 2HH1 ARG 14 -3.128 3.600 5.559 105 H SER 15 H SER 15 5.279 4.389 4.233 106 HA SER 15 HA SER 15 4.088 7.005 4.147 107 1HB SER 15 2HB SER 15 7.017 6.295 3.797 108 2HB SER 15 1HB SER 15 6.364 7.855 4.290 109 HG SER 15 HG SER 15 5.494 5.712 5.783 110 H ALA 16 H ALA 16 6.107 5.215 1.811 111 HA ALA 16 HA ALA 16 5.894 7.304 -0.205 112 1HB ALA 16 1HB ALA 16 6.747 5.344 -1.696 113 2HB ALA 16 2HB ALA 16 6.922 4.472 -0.174 114 3HB ALA 16 3HB ALA 16 7.817 5.968 -0.441 115 H PHE 17 H PHE 17 4.367 4.126 0.326 116 HA PHE 17 HA PHE 17 2.771 4.064 -2.016 117 1HB PHE 17 2HB PHE 17 3.058 2.192 -0.334 118 2HB PHE 17 1HB PHE 17 1.922 3.048 0.709 119 HD1 PHE 17 1HD PHE 17 2.265 1.773 -2.800 120 HD2 PHE 17 2HD PHE 17 -0.376 2.665 0.469 121 HE1 PHE 17 1HE PHE 17 0.367 0.797 -4.066 122 HE2 PHE 17 2HE PHE 17 -2.273 1.690 -0.797 123 HZ PHE 17 HZ PHE 17 -1.901 0.756 -3.064 124 H ALA 18 H ALA 18 2.226 5.644 1.112 125 HA ALA 18 HA ALA 18 -0.466 6.464 0.671 126 1HB ALA 18 1HB ALA 18 1.778 7.770 2.240 127 2HB ALA 18 2HB ALA 18 0.524 6.699 2.869 128 3HB ALA 18 3HB ALA 18 0.100 8.313 2.294 129 H ASN 19 H ASN 19 2.438 7.413 -0.864 130 HA ASN 19 HA ASN 19 1.864 10.123 -1.532 131 1HB ASN 19 2HB ASN 19 4.049 8.851 -1.891 132 2HB ASN 19 1HB ASN 19 3.298 8.157 -3.329 133 1HD2 ASN 19 1HD2 ASN 19 5.447 9.627 -3.982 134 2HD2 ASN 19 2HD2 ASN 19 5.028 11.169 -4.556 135 H LEU 20 H LEU 20 0.715 7.091 -2.910 136 HA LEU 20 HA LEU 20 -0.336 8.170 -5.359 137 1HB LEU 20 2HB LEU 20 -1.345 5.791 -3.770 138 2HB LEU 20 1HB LEU 20 -1.632 6.103 -5.481 139 HG LEU 20 HG LEU 20 1.102 5.695 -4.232 140 1HD1 LEU 20 1HD1 LEU 20 -0.804 3.859 -5.680 141 2HD1 LEU 20 2HD1 LEU 20 0.066 3.573 -4.173 142 3HD1 LEU 20 3HD1 LEU 20 0.935 3.568 -5.708 143 1HD2 LEU 20 1HD2 LEU 20 1.567 5.336 -6.796 144 2HD2 LEU 20 2HD2 LEU 20 1.473 6.977 -6.157 145 3HD2 LEU 20 3HD2 LEU 20 0.093 6.281 -7.006 146 HA PRO 21 HA PRO 21 -3.921 10.523 -4.316 147 1HB PRO 21 2HB PRO 21 -5.365 8.506 -6.026 148 2HB PRO 21 1HB PRO 21 -5.519 10.277 -6.010 149 1HG PRO 21 2HG PRO 21 -4.096 9.116 -7.889 150 2HG PRO 21 1HG PRO 21 -3.496 10.591 -7.106 151 1HD PRO 21 2HD PRO 21 -2.571 7.768 -6.747 152 2HD PRO 21 1HD PRO 21 -1.641 9.278 -6.656 153 H LEU 22 H LEU 22 -5.328 10.463 -2.609 154 HA LEU 22 HA LEU 22 -5.455 8.322 -0.808 155 1HB LEU 22 2HB LEU 22 -6.103 10.664 -0.292 156 2HB LEU 22 1HB LEU 22 -7.578 10.445 -1.232 157 HG LEU 22 HG LEU 22 -8.198 8.544 0.274 158 1HD1 LEU 22 1HD1 LEU 22 -6.848 8.730 2.544 159 2HD1 LEU 22 2HD1 LEU 22 -5.573 9.333 1.487 160 3HD1 LEU 22 3HD1 LEU 22 -6.244 7.724 1.229 161 1HD2 LEU 22 1HD2 LEU 22 -8.819 9.967 2.186 162 2HD2 LEU 22 2HD2 LEU 22 -9.044 10.842 0.672 163 3HD2 LEU 22 3HD2 LEU 22 -7.638 11.176 1.682 164 H TRP 23 H TRP 23 -7.792 9.117 -3.392 165 HA TRP 23 HA TRP 23 -9.583 6.956 -2.704 166 1HB TRP 23 2HB TRP 23 -10.723 7.488 -4.766 167 2HB TRP 23 1HB TRP 23 -10.215 9.006 -4.024 168 HD1 TRP 23 HD TRP 23 -8.476 10.466 -5.281 169 HE1 TRP 23 1HE TRP 23 -7.344 10.301 -7.592 170 HE3 TRP 23 3HE TRP 23 -9.793 5.704 -6.569 171 HZ2 TRP 23 2HZ TRP 23 -7.039 8.400 -9.707 172 HZ3 TRP 23 3HZ TRP 23 -9.069 4.742 -8.735 173 HH2 TRP 23 HH TRP 23 -7.695 6.082 -10.304 174 H ARG 24 H ARG 24 -6.928 7.275 -5.049 175 HA ARG 24 HA ARG 24 -7.349 4.804 -6.400 176 1HB ARG 24 2HB ARG 24 -5.807 6.581 -7.195 177 2HB ARG 24 1HB ARG 24 -4.711 6.196 -5.867 178 1HG ARG 24 2HG ARG 24 -4.441 3.916 -6.704 179 2HG ARG 24 1HG ARG 24 -5.605 4.226 -7.992 180 1HD ARG 24 2HD ARG 24 -3.911 4.956 -9.277 181 2HD ARG 24 1HD ARG 24 -3.698 6.302 -8.155 182 HE ARG 24 HE ARG 24 -2.330 4.261 -6.920 183 1HH1 ARG 24 1HH2 ARG 24 -2.397 5.588 -10.099 184 2HH1 ARG 24 2HH2 ARG 24 -0.723 5.274 -10.411 185 1HH2 ARG 24 1HH1 ARG 24 -0.140 3.845 -7.306 186 2HH2 ARG 24 2HH1 ARG 24 0.556 4.288 -8.829 187 H GLN 25 H GLN 25 -5.357 5.533 -3.516 188 HA GLN 25 HA GLN 25 -4.131 3.045 -3.179 189 1HB GLN 25 2HB GLN 25 -5.270 4.875 -1.052 190 2HB GLN 25 1HB GLN 25 -4.185 3.523 -0.722 191 1HG GLN 25 2HG GLN 25 -2.480 4.536 -2.209 192 2HG GLN 25 1HG GLN 25 -3.557 5.902 -2.501 193 1HE2 GLN 25 1HE2 GLN 25 -2.454 4.103 0.435 194 2HE2 GLN 25 2HE2 GLN 25 -2.076 5.499 1.324 195 H GLN 26 H GLN 26 -7.450 3.963 -2.205 196 HA GLN 26 HA GLN 26 -8.097 1.444 -0.995 197 1HB GLN 26 2HB GLN 26 -9.898 3.423 -2.427 198 2HB GLN 26 1HB GLN 26 -10.464 2.084 -1.426 199 1HG GLN 26 2HG GLN 26 -8.638 4.295 -0.441 200 2HG GLN 26 1HG GLN 26 -10.384 4.262 -0.194 201 1HE2 GLN 26 1HE2 GLN 26 -7.875 3.877 1.677 202 2HE2 GLN 26 2HE2 GLN 26 -8.292 2.500 2.579 203 H ASN 27 H ASN 27 -8.271 2.638 -4.319 204 HA ASN 27 HA ASN 27 -9.579 0.394 -5.492 205 1HB ASN 27 2HB ASN 27 -9.056 2.645 -6.578 206 2HB ASN 27 1HB ASN 27 -7.414 2.048 -6.815 207 1HD2 ASN 27 1HD2 ASN 27 -7.851 2.160 -9.198 208 2HD2 ASN 27 2HD2 ASN 27 -8.746 0.924 -9.941 209 H LEU 28 H LEU 28 -6.084 1.095 -5.154 210 HA LEU 28 HA LEU 28 -5.282 -1.502 -6.163 211 1HB LEU 28 2HB LEU 28 -3.686 0.415 -4.440 212 2HB LEU 28 1HB LEU 28 -3.046 -0.860 -5.476 213 HG LEU 28 HG LEU 28 -4.523 1.630 -6.372 214 1HD1 LEU 28 1HD1 LEU 28 -1.694 0.643 -6.861 215 2HD1 LEU 28 2HD1 LEU 28 -2.143 1.935 -5.749 216 3HD1 LEU 28 3HD1 LEU 28 -2.388 2.140 -7.484 217 1HD2 LEU 28 1HD2 LEU 28 -3.718 -0.896 -7.805 218 2HD2 LEU 28 2HD2 LEU 28 -3.783 0.635 -8.677 219 3HD2 LEU 28 3HD2 LEU 28 -5.235 -0.003 -7.907 220 H ARG 29 H ARG 29 -5.951 -0.188 -2.949 221 HA ARG 29 HA ARG 29 -4.870 -2.554 -1.608 222 1HB ARG 29 2HB ARG 29 -6.416 -0.146 -0.638 223 2HB ARG 29 1HB ARG 29 -5.947 -1.469 0.430 224 1HG ARG 29 2HG ARG 29 -3.570 -1.141 -0.281 225 2HG ARG 29 1HG ARG 29 -4.081 0.264 -1.216 226 1HD ARG 29 2HD ARG 29 -4.611 -0.019 1.750 227 2HD ARG 29 1HD ARG 29 -3.185 0.786 1.101 228 HE ARG 29 HE ARG 29 -5.304 2.014 -0.204 229 1HH1 ARG 29 1HH2 ARG 29 -4.404 1.367 3.064 230 2HH1 ARG 29 2HH2 ARG 29 -5.178 2.782 3.694 231 1HH2 ARG 29 1HH1 ARG 29 -6.317 3.861 0.601 232 2HH2 ARG 29 2HH1 ARG 29 -6.261 4.194 2.299 233 H ARG 30 H ARG 30 -8.169 -1.255 -2.189 234 HA ARG 30 HA ARG 30 -9.533 -3.384 -0.869 235 1HB ARG 30 2HB ARG 30 -10.601 -1.248 -1.657 236 2HB ARG 30 1HB ARG 30 -10.513 -1.866 -3.307 237 1HG ARG 30 2HG ARG 30 -11.899 -3.789 -2.694 238 2HG ARG 30 1HG ARG 30 -11.928 -3.257 -1.012 239 1HD ARG 30 2HD ARG 30 -13.019 -1.667 -3.353 240 2HD ARG 30 1HD ARG 30 -13.996 -2.605 -2.225 241 HE ARG 30 HE ARG 30 -12.543 -0.912 -0.584 242 1HH1 ARG 30 1HH2 ARG 30 -14.563 -0.567 -3.359 243 2HH1 ARG 30 2HH2 ARG 30 -15.141 1.001 -2.905 244 1HH2 ARG 30 1HH1 ARG 30 -13.285 1.130 0.022 245 2HH2 ARG 30 2HH1 ARG 30 -14.418 1.963 -0.991 246 H GLU 31 H GLU 31 -8.476 -3.034 -4.256 247 HA GLU 31 HA GLU 31 -9.525 -5.549 -5.162 248 1HB GLU 31 2HB GLU 31 -7.186 -3.877 -6.131 249 2HB GLU 31 1HB GLU 31 -7.784 -5.302 -6.980 250 1HG GLU 31 2HG GLU 31 -9.495 -2.898 -6.289 251 2HG GLU 31 1HG GLU 31 -8.724 -3.146 -7.856 252 H ARG 32 H ARG 32 -6.947 -4.764 -3.068 253 HA ARG 32 HA ARG 32 -5.449 -7.248 -3.626 254 1HB ARG 32 2HB ARG 32 -4.417 -4.949 -3.034 255 2HB ARG 32 1HB ARG 32 -4.886 -5.327 -1.376 256 1HG ARG 32 2HG ARG 32 -2.770 -6.257 -1.399 257 2HG ARG 32 1HG ARG 32 -3.710 -7.644 -1.947 258 1HD ARG 32 2HD ARG 32 -3.302 -6.792 -4.328 259 2HD ARG 32 1HD ARG 32 -2.100 -5.712 -3.625 260 HE ARG 32 HE ARG 32 -1.414 -8.213 -2.638 261 1HH1 ARG 32 1HH2 ARG 32 -2.013 -6.813 -5.732 262 2HH1 ARG 32 2HH2 ARG 32 -0.900 -7.847 -6.563 263 1HH2 ARG 32 1HH1 ARG 32 0.043 -9.572 -3.706 264 2HH2 ARG 32 2HH1 ARG 32 0.265 -9.409 -5.416 265 H GLY 33 H GLY 33 -8.053 -6.291 -1.643 266 1HA GLY 33 2HA GLY 33 -9.262 -7.818 -0.234 267 2HA GLY 33 1HA GLY 33 -7.829 -8.841 -0.157 268 H LEU 34 H LEU 34 -6.809 -5.714 0.328 269 HA LEU 34 HA LEU 34 -6.896 -6.108 3.290 270 1HB LEU 34 2HB LEU 34 -4.997 -4.327 1.745 271 2HB LEU 34 1HB LEU 34 -4.856 -4.850 3.423 272 HG LEU 34 HG LEU 34 -4.749 -6.675 1.004 273 1HD1 LEU 34 1HD1 LEU 34 -2.400 -6.834 1.391 274 2HD1 LEU 34 2HD1 LEU 34 -2.525 -6.005 2.942 275 3HD1 LEU 34 3HD1 LEU 34 -2.767 -5.110 1.442 276 1HD2 LEU 34 1HD2 LEU 34 -3.875 -8.256 2.878 277 2HD2 LEU 34 2HD2 LEU 34 -5.613 -7.972 2.777 278 3HD2 LEU 34 3HD2 LEU 34 -4.650 -7.122 3.986 279 H PHE 35 H PHE 35 -7.073 -4.082 4.585 280 HA PHE 35 HA PHE 35 -8.300 -2.153 5.128 281 1HB PHE 35 2HB PHE 35 -7.310 -1.514 2.341 282 2HB PHE 35 1HB PHE 35 -8.170 -0.342 3.340 283 HD1 PHE 35 1HD PHE 35 -5.091 -2.366 3.019 284 HD2 PHE 35 2HD PHE 35 -7.143 0.639 5.303 285 HE1 PHE 35 1HE PHE 35 -2.986 -1.839 4.218 286 HE2 PHE 35 2HE PHE 35 -5.037 1.165 6.502 287 HZ PHE 35 HZ PHE 35 -2.958 -0.074 5.960 Start of MODEL 10 1 1H LEU 1 1HT LEU 1 1.679 -0.119 8.966 2 2H LEU 1 2HT LEU 1 2.533 -0.979 10.157 3 3H LEU 1 3HT LEU 1 1.146 -0.092 10.576 4 HA LEU 1 HA LEU 1 0.381 -2.271 10.517 5 1HB LEU 1 2HB LEU 1 -0.095 -1.307 7.687 6 2HB LEU 1 1HB LEU 1 -1.167 -2.282 8.692 7 HG LEU 1 HG LEU 1 -0.371 0.595 9.221 8 1HD1 LEU 1 1HD1 LEU 1 -3.102 -0.541 8.578 9 2HD1 LEU 1 2HD1 LEU 1 -2.028 0.115 7.343 10 3HD1 LEU 1 3HD1 LEU 1 -2.625 1.156 8.635 11 1HD2 LEU 1 1HD2 LEU 1 -2.269 0.293 10.966 12 2HD2 LEU 1 2HD2 LEU 1 -0.688 -0.389 11.347 13 3HD2 LEU 1 3HD2 LEU 1 -1.984 -1.436 10.766 14 H SER 2 H SER 2 2.122 -3.774 10.587 15 HA SER 2 HA SER 2 3.652 -5.344 9.724 16 1HB SER 2 2HB SER 2 2.659 -6.849 8.212 17 2HB SER 2 1HB SER 2 1.268 -6.102 8.992 18 HG SER 2 HG SER 2 0.906 -4.901 7.218 19 H ASP 3 H ASP 3 4.912 -3.164 9.223 20 HA ASP 3 HA ASP 3 5.132 -2.164 6.587 21 1HB ASP 3 2HB ASP 3 6.249 -1.147 8.566 22 2HB ASP 3 1HB ASP 3 7.373 -2.507 8.607 23 H GLU 4 H GLU 4 6.499 -5.056 8.073 24 HA GLU 4 HA GLU 4 8.240 -5.720 5.860 25 1HB GLU 4 2HB GLU 4 8.371 -6.654 8.233 26 2HB GLU 4 1HB GLU 4 6.991 -7.669 7.811 27 1HG GLU 4 2HG GLU 4 8.286 -8.577 5.886 28 2HG GLU 4 1HG GLU 4 9.678 -7.626 6.406 29 H ASP 5 H ASP 5 5.033 -6.938 6.872 30 HA ASP 5 HA ASP 5 4.650 -8.507 4.477 31 1HB ASP 5 2HB ASP 5 3.425 -8.584 6.822 32 2HB ASP 5 1HB ASP 5 2.340 -7.423 6.055 33 H PHE 6 H PHE 6 3.513 -5.291 5.509 34 HA PHE 6 HA PHE 6 1.946 -4.666 3.240 35 1HB PHE 6 2HB PHE 6 1.981 -3.252 5.244 36 2HB PHE 6 1HB PHE 6 3.665 -2.827 4.932 37 HD1 PHE 6 1HD PHE 6 0.177 -2.340 3.884 38 HD2 PHE 6 2HD PHE 6 4.279 -1.370 3.055 39 HE1 PHE 6 1HE PHE 6 -0.560 -0.501 2.393 40 HE2 PHE 6 2HE PHE 6 3.542 0.470 1.563 41 HZ PHE 6 HZ PHE 6 1.123 0.904 1.232 42 H ARG 7 H ARG 7 5.346 -3.686 3.816 43 HA ARG 7 HA ARG 7 5.871 -2.570 1.309 44 1HB ARG 7 2HB ARG 7 7.447 -2.579 3.250 45 2HB ARG 7 1HB ARG 7 7.801 -4.274 2.916 46 1HG ARG 7 2HG ARG 7 8.576 -3.661 0.649 47 2HG ARG 7 1HG ARG 7 8.240 -1.965 0.998 48 1HD ARG 7 2HD ARG 7 10.180 -3.708 2.542 49 2HD ARG 7 1HD ARG 7 10.636 -2.511 1.333 50 HE ARG 7 HE ARG 7 9.089 -1.086 3.146 51 1HH1 ARG 7 1HH2 ARG 7 11.852 -3.144 3.282 52 2HH1 ARG 7 2HH2 ARG 7 12.540 -2.351 4.659 53 1HH2 ARG 7 1HH1 ARG 7 9.970 -0.040 4.940 54 2HH2 ARG 7 2HH1 ARG 7 11.474 -0.592 5.599 55 H ALA 8 H ALA 8 5.843 -5.992 2.214 56 HA ALA 8 HA ALA 8 6.926 -6.974 -0.264 57 1HB ALA 8 1HB ALA 8 5.011 -8.409 1.592 58 2HB ALA 8 2HB ALA 8 6.743 -8.276 1.896 59 3HB ALA 8 3HB ALA 8 6.160 -9.142 0.475 60 H VAL 9 H VAL 9 3.692 -6.016 0.729 61 HA VAL 9 HA VAL 9 2.371 -7.324 -1.509 62 HB VAL 9 HB VAL 9 1.429 -5.167 0.397 63 1HG1 VAL 9 1HG1 VAL 9 -0.853 -5.944 -0.452 64 2HG1 VAL 9 2HG1 VAL 9 0.011 -6.718 -1.780 65 3HG1 VAL 9 3HG1 VAL 9 0.093 -4.968 -1.575 66 1HG2 VAL 9 1HG2 VAL 9 1.987 -7.527 1.249 67 2HG2 VAL 9 2HG2 VAL 9 0.635 -8.084 0.262 68 3HG2 VAL 9 3HG2 VAL 9 0.356 -6.942 1.577 69 1HN PF5 10 H PF5 10 3.146 -3.880 -0.807 70 HA PF5 10 HA PF5 10 2.553 -3.322 -3.677 71 1HB PF5 10 1HB PF5 10 2.199 -1.038 -3.033 72 2HB PF5 10 2HB PF5 10 2.923 -1.314 -1.442 73 H GLY 11 H GLY 11 5.169 -4.208 -2.019 74 1HA GLY 11 2HA GLY 11 7.474 -3.867 -2.306 75 2HA GLY 11 1HA GLY 11 7.047 -3.328 -3.930 76 H MET 12 H MET 12 5.654 -1.611 -1.266 77 HA MET 12 HA MET 12 7.763 0.474 -1.393 78 1HB MET 12 2HB MET 12 5.619 0.751 -3.018 79 2HB MET 12 1HB MET 12 4.970 1.475 -1.546 80 1HG MET 12 2HG MET 12 7.089 2.869 -1.425 81 2HG MET 12 1HG MET 12 7.472 2.284 -3.045 82 1HE MET 12 1HE MET 12 4.769 3.497 -5.304 83 2HE MET 12 2HE MET 12 4.236 2.178 -4.264 84 3HE MET 12 3HE MET 12 5.894 2.204 -4.862 85 H THR 13 H THR 13 7.551 2.039 0.393 86 HA THR 13 HA THR 13 6.650 0.731 2.840 87 HB THR 13 HB THR 13 7.346 3.037 3.818 88 HG1 THR 13 1HG THR 13 7.295 3.694 1.363 89 1HG2 THR 13 1HG2 THR 13 9.711 2.421 3.687 90 2HG2 THR 13 2HG2 THR 13 9.379 1.372 2.307 91 3HG2 THR 13 3HG2 THR 13 8.725 0.973 3.896 92 H ARG 14 H ARG 14 4.986 1.516 4.249 93 HA ARG 14 HA ARG 14 2.588 2.371 3.005 94 1HB ARG 14 2HB ARG 14 3.447 2.644 5.902 95 2HB ARG 14 1HB ARG 14 1.796 2.860 5.319 96 1HG ARG 14 2HG ARG 14 1.881 0.528 4.391 97 2HG ARG 14 1HG ARG 14 3.455 0.327 5.160 98 1HD ARG 14 2HD ARG 14 0.777 0.748 6.498 99 2HD ARG 14 1HD ARG 14 1.909 -0.579 6.723 100 HE ARG 14 HE ARG 14 1.959 1.915 8.146 101 1HH1 ARG 14 1HH2 ARG 14 3.986 -0.387 6.553 102 2HH1 ARG 14 2HH2 ARG 14 5.389 0.007 7.490 103 1HH2 ARG 14 1HH1 ARG 14 3.781 2.429 9.379 104 2HH2 ARG 14 2HH1 ARG 14 5.271 1.599 9.085 105 H SER 15 H SER 15 5.267 4.228 4.333 106 HA SER 15 HA SER 15 3.868 6.750 4.466 107 1HB SER 15 2HB SER 15 6.057 7.751 4.704 108 2HB SER 15 1HB SER 15 6.062 6.238 5.606 109 HG SER 15 HG SER 15 6.917 5.314 3.572 110 H ALA 16 H ALA 16 5.982 5.269 2.004 111 HA ALA 16 HA ALA 16 5.617 7.466 0.133 112 1HB ALA 16 1HB ALA 16 7.613 6.236 -0.182 113 2HB ALA 16 2HB ALA 16 6.572 5.695 -1.499 114 3HB ALA 16 3HB ALA 16 6.777 4.688 -0.066 115 H PHE 17 H PHE 17 4.174 4.256 0.599 116 HA PHE 17 HA PHE 17 2.614 4.163 -1.772 117 1HB PHE 17 2HB PHE 17 2.939 2.302 -0.062 118 2HB PHE 17 1HB PHE 17 1.724 3.115 0.926 119 HD1 PHE 17 1HD PHE 17 2.284 1.793 -2.536 120 HD2 PHE 17 2HD PHE 17 -0.555 2.690 0.562 121 HE1 PHE 17 1HE PHE 17 0.484 0.737 -3.878 122 HE2 PHE 17 2HE PHE 17 -2.354 1.636 -0.781 123 HZ PHE 17 HZ PHE 17 -1.834 0.660 -3.001 124 H ALA 18 H ALA 18 1.968 5.671 1.378 125 HA ALA 18 HA ALA 18 -0.727 6.443 0.898 126 1HB ALA 18 1HB ALA 18 0.185 6.684 3.116 127 2HB ALA 18 2HB ALA 18 -0.207 8.305 2.542 128 3HB ALA 18 3HB ALA 18 1.467 7.746 2.534 129 H ASN 19 H ASN 19 2.204 7.524 -0.525 130 HA ASN 19 HA ASN 19 1.519 10.212 -1.194 131 1HB ASN 19 2HB ASN 19 3.786 9.070 -1.450 132 2HB ASN 19 1HB ASN 19 3.150 8.344 -2.926 133 1HD2 ASN 19 1HD2 ASN 19 3.659 9.542 -4.755 134 2HD2 ASN 19 2HD2 ASN 19 3.848 11.228 -4.800 135 H LEU 20 H LEU 20 0.750 7.132 -2.777 136 HA LEU 20 HA LEU 20 -0.251 8.098 -5.236 137 1HB LEU 20 2HB LEU 20 -1.368 5.815 -3.578 138 2HB LEU 20 1HB LEU 20 -1.587 6.044 -5.314 139 HG LEU 20 HG LEU 20 1.083 5.650 -3.928 140 1HD1 LEU 20 1HD1 LEU 20 -0.740 3.807 -5.483 141 2HD1 LEU 20 2HD1 LEU 20 -0.048 3.558 -3.879 142 3HD1 LEU 20 3HD1 LEU 20 0.984 3.483 -5.307 143 1HD2 LEU 20 1HD2 LEU 20 1.591 6.870 -5.855 144 2HD2 LEU 20 2HD2 LEU 20 0.228 6.207 -6.756 145 3HD2 LEU 20 3HD2 LEU 20 1.658 5.217 -6.467 146 HA PRO 21 HA PRO 21 -3.863 10.542 -4.554 147 1HB PRO 21 2HB PRO 21 -5.225 8.437 -6.229 148 2HB PRO 21 1HB PRO 21 -5.363 10.207 -6.323 149 1HG PRO 21 2HG PRO 21 -3.840 8.927 -8.043 150 2HG PRO 21 1HG PRO 21 -3.279 10.445 -7.316 151 1HD PRO 21 2HD PRO 21 -2.390 7.647 -6.738 152 2HD PRO 21 1HD PRO 21 -1.462 9.161 -6.669 153 H LEU 22 H LEU 22 -5.524 10.592 -3.055 154 HA LEU 22 HA LEU 22 -5.735 8.577 -1.087 155 1HB LEU 22 2HB LEU 22 -6.406 10.951 -0.780 156 2HB LEU 22 1HB LEU 22 -7.815 10.664 -1.801 157 HG LEU 22 HG LEU 22 -8.545 8.875 -0.215 158 1HD1 LEU 22 1HD1 LEU 22 -5.997 9.733 1.111 159 2HD1 LEU 22 2HD1 LEU 22 -6.668 8.113 0.922 160 3HD1 LEU 22 3HD1 LEU 22 -7.343 9.212 2.124 161 1HD2 LEU 22 1HD2 LEU 22 -8.062 11.494 1.228 162 2HD2 LEU 22 2HD2 LEU 22 -9.425 10.391 1.419 163 3HD2 LEU 22 3HD2 LEU 22 -9.250 11.329 -0.065 164 H TRP 23 H TRP 23 -7.733 9.109 -3.978 165 HA TRP 23 HA TRP 23 -9.627 7.018 -3.237 166 1HB TRP 23 2HB TRP 23 -10.643 7.439 -5.389 167 2HB TRP 23 1HB TRP 23 -10.199 8.994 -4.683 168 HD1 TRP 23 HD TRP 23 -8.466 10.448 -5.931 169 HE1 TRP 23 1HE TRP 23 -7.168 10.193 -8.145 170 HE3 TRP 23 3HE TRP 23 -9.497 5.563 -7.001 171 HZ2 TRP 23 2HZ TRP 23 -6.640 8.182 -10.111 172 HZ3 TRP 23 3HZ TRP 23 -8.586 4.504 -9.047 173 HH2 TRP 23 HH TRP 23 -7.159 5.806 -10.602 174 H ARG 24 H ARG 24 -6.729 7.211 -5.246 175 HA ARG 24 HA ARG 24 -7.106 4.692 -6.583 176 1HB ARG 24 2HB ARG 24 -5.536 6.462 -7.362 177 2HB ARG 24 1HB ARG 24 -4.504 6.118 -5.974 178 1HG ARG 24 2HG ARG 24 -4.208 3.807 -6.726 179 2HG ARG 24 1HG ARG 24 -5.298 4.090 -8.083 180 1HD ARG 24 2HD ARG 24 -3.518 4.756 -9.288 181 2HD ARG 24 1HD ARG 24 -3.383 6.152 -8.213 182 HE ARG 24 HE ARG 24 -2.090 4.159 -6.815 183 1HH1 ARG 24 1HH2 ARG 24 -1.948 5.407 -10.024 184 2HH1 ARG 24 2HH2 ARG 24 -0.252 5.109 -10.210 185 1HH2 ARG 24 1HH1 ARG 24 0.127 3.763 -7.036 186 2HH2 ARG 24 2HH1 ARG 24 0.923 4.179 -8.516 187 H GLN 25 H GLN 25 -5.108 5.561 -3.727 188 HA GLN 25 HA GLN 25 -3.994 3.064 -3.200 189 1HB GLN 25 2HB GLN 25 -4.095 3.717 -0.762 190 2HB GLN 25 1HB GLN 25 -3.393 4.940 -1.824 191 1HG GLN 25 2HG GLN 25 -5.612 6.072 -1.945 192 2HG GLN 25 1HG GLN 25 -6.250 4.892 -0.799 193 1HE2 GLN 25 1HE2 GLN 25 -5.780 5.193 1.423 194 2HE2 GLN 25 2HE2 GLN 25 -4.833 6.470 2.017 195 H GLN 26 H GLN 26 -7.292 4.155 -2.367 196 HA GLN 26 HA GLN 26 -8.021 1.728 -0.992 197 1HB GLN 26 2HB GLN 26 -9.723 3.756 -2.475 198 2HB GLN 26 1HB GLN 26 -10.374 2.447 -1.489 199 1HG GLN 26 2HG GLN 26 -9.158 3.324 0.476 200 2HG GLN 26 1HG GLN 26 -8.526 4.643 -0.510 201 1HE2 GLN 26 1HE2 GLN 26 -10.041 5.392 1.685 202 2HE2 GLN 26 2HE2 GLN 26 -11.569 5.946 1.193 203 H ASN 27 H ASN 27 -8.054 2.747 -4.364 204 HA ASN 27 HA ASN 27 -9.527 0.529 -5.424 205 1HB ASN 27 2HB ASN 27 -8.954 2.679 -6.637 206 2HB ASN 27 1HB ASN 27 -7.311 2.065 -6.812 207 1HD2 ASN 27 1HD2 ASN 27 -10.720 1.127 -7.529 208 2HD2 ASN 27 2HD2 ASN 27 -10.335 0.249 -8.931 209 H LEU 28 H LEU 28 -5.993 1.090 -5.235 210 HA LEU 28 HA LEU 28 -5.306 -1.559 -6.138 211 1HB LEU 28 2HB LEU 28 -3.631 0.297 -4.425 212 2HB LEU 28 1HB LEU 28 -3.048 -1.005 -5.460 213 HG LEU 28 HG LEU 28 -4.418 1.545 -6.360 214 1HD1 LEU 28 1HD1 LEU 28 -2.047 1.803 -5.750 215 2HD1 LEU 28 2HD1 LEU 28 -2.248 1.929 -7.497 216 3HD1 LEU 28 3HD1 LEU 28 -1.624 0.439 -6.787 217 1HD2 LEU 28 1HD2 LEU 28 -3.701 -1.008 -7.793 218 2HD2 LEU 28 2HD2 LEU 28 -3.718 0.527 -8.662 219 3HD2 LEU 28 3HD2 LEU 28 -5.189 -0.067 -7.892 220 H ARG 29 H ARG 29 -5.926 -0.170 -2.945 221 HA ARG 29 HA ARG 29 -4.881 -2.466 -1.511 222 1HB ARG 29 2HB ARG 29 -6.585 -0.106 -0.719 223 2HB ARG 29 1HB ARG 29 -6.207 -1.401 0.418 224 1HG ARG 29 2HG ARG 29 -3.798 -1.042 0.043 225 2HG ARG 29 1HG ARG 29 -4.164 0.245 -1.105 226 1HD ARG 29 2HD ARG 29 -4.931 0.237 1.829 227 2HD ARG 29 1HD ARG 29 -3.620 1.173 1.115 228 HE ARG 29 HE ARG 29 -5.851 1.916 -0.356 229 1HH1 ARG 29 1HH2 ARG 29 -4.982 1.770 2.981 230 2HH1 ARG 29 2HH2 ARG 29 -5.981 3.110 3.434 231 1HH2 ARG 29 1HH1 ARG 29 -7.157 3.662 0.219 232 2HH2 ARG 29 2HH1 ARG 29 -7.213 4.181 1.871 233 H ARG 30 H ARG 30 -8.207 -1.401 -2.346 234 HA ARG 30 HA ARG 30 -9.437 -3.703 -1.108 235 1HB ARG 30 2HB ARG 30 -10.374 -1.696 -3.160 236 2HB ARG 30 1HB ARG 30 -11.384 -3.063 -2.684 237 1HG ARG 30 2HG ARG 30 -11.368 -2.354 -0.372 238 2HG ARG 30 1HG ARG 30 -10.174 -1.102 -0.716 239 1HD ARG 30 2HD ARG 30 -12.946 -1.199 -1.938 240 2HD ARG 30 1HD ARG 30 -12.502 -0.204 -0.553 241 HE ARG 30 HE ARG 30 -10.646 0.493 -2.487 242 1HH1 ARG 30 1HH2 ARG 30 -14.082 0.279 -2.291 243 2HH1 ARG 30 2HH2 ARG 30 -14.359 1.570 -3.413 244 1HH2 ARG 30 1HH1 ARG 30 -10.987 2.176 -3.949 245 2HH2 ARG 30 2HH1 ARG 30 -12.605 2.644 -4.352 246 H GLU 31 H GLU 31 -8.138 -3.038 -4.321 247 HA GLU 31 HA GLU 31 -9.183 -5.211 -5.775 248 1HB GLU 31 2HB GLU 31 -7.661 -3.400 -6.669 249 2HB GLU 31 1HB GLU 31 -6.310 -4.239 -5.909 250 1HG GLU 31 2HG GLU 31 -6.895 -6.283 -7.219 251 2HG GLU 31 1HG GLU 31 -8.153 -5.358 -8.040 252 H ARG 32 H ARG 32 -6.816 -5.151 -3.209 253 HA ARG 32 HA ARG 32 -6.249 -8.045 -3.655 254 1HB ARG 32 2HB ARG 32 -4.763 -5.962 -2.029 255 2HB ARG 32 1HB ARG 32 -4.306 -7.663 -2.143 256 1HG ARG 32 2HG ARG 32 -4.052 -7.439 -4.584 257 2HG ARG 32 1HG ARG 32 -4.521 -5.742 -4.480 258 1HD ARG 32 2HD ARG 32 -2.533 -5.768 -2.649 259 2HD ARG 32 1HD ARG 32 -1.964 -7.051 -3.716 260 HE ARG 32 HE ARG 32 -1.738 -4.309 -4.309 261 1HH1 ARG 32 1HH2 ARG 32 -3.055 -7.188 -5.674 262 2HH1 ARG 32 2HH2 ARG 32 -2.835 -6.671 -7.312 263 1HH2 ARG 32 1HH1 ARG 32 -1.444 -3.617 -6.439 264 2HH2 ARG 32 2HH1 ARG 32 -1.924 -4.647 -7.746 265 H GLY 33 H GLY 33 -8.260 -6.118 -1.822 266 1HA GLY 33 2HA GLY 33 -9.671 -6.776 -0.037 267 2HA GLY 33 1HA GLY 33 -8.820 -8.320 0.012 268 H LEU 34 H LEU 34 -6.385 -6.157 0.061 269 HA LEU 34 HA LEU 34 -6.250 -6.251 3.031 270 1HB LEU 34 2HB LEU 34 -4.057 -5.470 1.094 271 2HB LEU 34 1HB LEU 34 -3.880 -5.911 2.793 272 HG LEU 34 HG LEU 34 -4.862 -7.751 0.592 273 1HD1 LEU 34 1HD1 LEU 34 -2.236 -7.524 2.083 274 2HD1 LEU 34 2HD1 LEU 34 -2.496 -7.417 0.342 275 3HD1 LEU 34 3HD1 LEU 34 -2.701 -8.960 1.171 276 1HD2 LEU 34 1HD2 LEU 34 -4.557 -8.023 3.578 277 2HD2 LEU 34 2HD2 LEU 34 -4.422 -9.439 2.535 278 3HD2 LEU 34 3HD2 LEU 34 -5.915 -8.500 2.559 279 H PHE 35 H PHE 35 -6.492 -4.406 4.210 280 HA PHE 35 HA PHE 35 -5.699 -1.797 3.269 281 1HB PHE 35 2HB PHE 35 -7.853 -0.785 2.914 282 2HB PHE 35 1HB PHE 35 -7.798 -2.235 1.910 283 HD1 PHE 35 1HD PHE 35 -9.375 -0.601 4.764 284 HD2 PHE 35 2HD PHE 35 -8.961 -4.317 2.650 285 HE1 PHE 35 1HE PHE 35 -11.379 -1.486 5.926 286 HE2 PHE 35 2HE PHE 35 -10.965 -5.201 3.811 287 HZ PHE 35 HZ PHE 35 -12.175 -3.786 5.450 Start of MODEL 11 1 1H LEU 1 1HT LEU 1 2.620 -1.623 10.588 2 2H LEU 1 2HT LEU 1 1.619 -1.243 11.907 3 3H LEU 1 3HT LEU 1 1.666 -0.222 10.549 4 HA LEU 1 HA LEU 1 0.140 -2.617 10.995 5 1HB LEU 1 2HB LEU 1 0.050 -0.192 9.201 6 2HB LEU 1 1HB LEU 1 -1.075 -1.532 8.982 7 HG LEU 1 HG LEU 1 -1.753 -1.310 11.370 8 1HD1 LEU 1 1HD1 LEU 1 0.236 0.955 11.226 9 2HD1 LEU 1 2HD1 LEU 1 0.126 -0.334 12.425 10 3HD1 LEU 1 3HD1 LEU 1 -1.072 0.959 12.410 11 1HD2 LEU 1 1HD2 LEU 1 -2.899 0.943 11.073 12 2HD2 LEU 1 2HD2 LEU 1 -3.143 -0.200 9.753 13 3HD2 LEU 1 3HD2 LEU 1 -1.986 1.119 9.575 14 H SER 2 H SER 2 1.353 -4.419 10.308 15 HA SER 2 HA SER 2 2.436 -5.852 8.784 16 1HB SER 2 2HB SER 2 1.298 -5.684 6.439 17 2HB SER 2 1HB SER 2 0.327 -6.194 7.816 18 HG SER 2 HG SER 2 -0.654 -4.523 6.545 19 H ASP 3 H ASP 3 3.701 -3.238 9.163 20 HA ASP 3 HA ASP 3 4.469 -1.975 6.757 21 1HB ASP 3 2HB ASP 3 5.066 -1.113 9.000 22 2HB ASP 3 1HB ASP 3 6.178 -2.465 9.219 23 H GLU 4 H GLU 4 5.558 -4.990 8.212 24 HA GLU 4 HA GLU 4 7.763 -5.345 6.331 25 1HB GLU 4 2HB GLU 4 7.606 -6.388 8.658 26 2HB GLU 4 1HB GLU 4 6.408 -7.491 7.980 27 1HG GLU 4 2HG GLU 4 8.070 -8.176 6.249 28 2HG GLU 4 1HG GLU 4 9.270 -7.151 7.039 29 H ASP 5 H ASP 5 4.645 -7.043 6.809 30 HA ASP 5 HA ASP 5 4.746 -8.449 4.317 31 1HB ASP 5 2HB ASP 5 2.452 -7.658 6.128 32 2HB ASP 5 1HB ASP 5 2.221 -8.624 4.670 33 H PHE 6 H PHE 6 3.376 -5.312 5.245 34 HA PHE 6 HA PHE 6 2.012 -4.699 2.844 35 1HB PHE 6 2HB PHE 6 1.842 -3.307 4.864 36 2HB PHE 6 1HB PHE 6 3.532 -2.835 4.693 37 HD1 PHE 6 1HD PHE 6 0.128 -2.419 3.384 38 HD2 PHE 6 2HD PHE 6 4.258 -1.360 2.861 39 HE1 PHE 6 1HE PHE 6 -0.536 -0.590 1.846 40 HE2 PHE 6 2HE PHE 6 3.594 0.469 1.323 41 HZ PHE 6 HZ PHE 6 1.197 0.854 0.817 42 H ARG 7 H ARG 7 5.322 -3.653 3.743 43 HA ARG 7 HA ARG 7 6.055 -2.501 1.307 44 1HB ARG 7 2HB ARG 7 7.440 -2.514 3.394 45 2HB ARG 7 1HB ARG 7 7.870 -4.191 3.054 46 1HG ARG 7 2HG ARG 7 8.802 -3.482 0.861 47 2HG ARG 7 1HG ARG 7 8.434 -1.806 1.268 48 1HD ARG 7 2HD ARG 7 10.258 -3.631 2.860 49 2HD ARG 7 1HD ARG 7 10.794 -2.357 1.768 50 HE ARG 7 HE ARG 7 9.098 -1.055 3.539 51 1HH1 ARG 7 1HH2 ARG 7 11.858 -3.110 3.765 52 2HH1 ARG 7 2HH2 ARG 7 12.426 -2.404 5.241 53 1HH2 ARG 7 1HH1 ARG 7 9.823 -0.124 5.461 54 2HH2 ARG 7 2HH1 ARG 7 11.274 -0.713 6.201 55 H ALA 8 H ALA 8 5.969 -5.931 2.161 56 HA ALA 8 HA ALA 8 7.302 -6.854 -0.228 57 1HB ALA 8 1HB ALA 8 7.097 -8.240 1.806 58 2HB ALA 8 2HB ALA 8 6.410 -9.065 0.407 59 3HB ALA 8 3HB ALA 8 5.349 -8.298 1.589 60 H VAL 9 H VAL 9 3.973 -6.010 0.525 61 HA VAL 9 HA VAL 9 2.855 -7.338 -1.802 62 HB VAL 9 HB VAL 9 1.738 -5.205 0.032 63 1HG1 VAL 9 1HG1 VAL 9 0.545 -4.978 -2.017 64 2HG1 VAL 9 2HG1 VAL 9 -0.464 -6.017 -1.011 65 3HG1 VAL 9 3HG1 VAL 9 0.528 -6.721 -2.287 66 1HG2 VAL 9 1HG2 VAL 9 0.588 -7.004 1.099 67 2HG2 VAL 9 2HG2 VAL 9 2.246 -7.570 0.897 68 3HG2 VAL 9 3HG2 VAL 9 0.985 -8.126 -0.202 69 1HN PF5 10 H PF5 10 3.511 -3.878 -1.065 70 HA PF5 10 HA PF5 10 3.060 -3.317 -3.954 71 1HB PF5 10 1HB PF5 10 2.812 -0.997 -3.296 72 2HB PF5 10 2HB PF5 10 3.385 -1.360 -1.662 73 H GLY 11 H GLY 11 5.615 -3.914 -1.854 74 1HA GLY 11 2HA GLY 11 7.930 -3.811 -2.273 75 2HA GLY 11 1HA GLY 11 7.555 -3.179 -3.876 76 H MET 12 H MET 12 6.339 -1.666 -0.950 77 HA MET 12 HA MET 12 8.465 0.320 -0.818 78 1HB MET 12 2HB MET 12 6.946 2.241 -1.434 79 2HB MET 12 1HB MET 12 7.381 1.201 -2.791 80 1HG MET 12 2HG MET 12 5.209 -0.095 -2.236 81 2HG MET 12 1HG MET 12 4.769 1.327 -1.291 82 1HE MET 12 1HE MET 12 6.199 3.770 -3.382 83 2HE MET 12 2HE MET 12 5.106 3.558 -2.016 84 3HE MET 12 3HE MET 12 4.486 4.183 -3.541 85 H THR 13 H THR 13 8.105 1.819 0.965 86 HA THR 13 HA THR 13 6.645 0.611 3.151 87 HB THR 13 HB THR 13 7.245 2.845 4.292 88 HG1 THR 13 1HG THR 13 7.451 3.979 2.295 89 1HG2 THR 13 1HG2 THR 13 8.575 0.755 4.490 90 2HG2 THR 13 2HG2 THR 13 9.593 2.195 4.508 91 3HG2 THR 13 3HG2 THR 13 9.476 1.215 3.045 92 H ARG 14 H ARG 14 4.808 1.533 4.269 93 HA ARG 14 HA ARG 14 2.678 2.400 2.630 94 1HB ARG 14 2HB ARG 14 3.092 2.854 5.600 95 2HB ARG 14 1HB ARG 14 1.560 3.065 4.753 96 1HG ARG 14 2HG ARG 14 1.757 0.659 3.990 97 2HG ARG 14 1HG ARG 14 3.131 0.497 5.084 98 1HD ARG 14 2HD ARG 14 0.253 1.087 5.804 99 2HD ARG 14 1HD ARG 14 1.252 -0.256 6.342 100 HE ARG 14 HE ARG 14 1.133 2.338 7.576 101 1HH1 ARG 14 1HH2 ARG 14 3.317 -0.158 6.603 102 2HH1 ARG 14 2HH2 ARG 14 4.516 0.253 7.785 103 1HH2 ARG 14 1HH1 ARG 14 2.686 2.875 9.125 104 2HH2 ARG 14 2HH1 ARG 14 4.158 1.968 9.208 105 H SER 15 H SER 15 5.222 4.248 4.201 106 HA SER 15 HA SER 15 3.970 6.822 4.075 107 1HB SER 15 2HB SER 15 6.200 7.735 4.342 108 2HB SER 15 1HB SER 15 6.083 6.288 5.340 109 HG SER 15 HG SER 15 6.846 5.683 2.819 110 H ALA 16 H ALA 16 6.037 5.067 1.768 111 HA ALA 16 HA ALA 16 5.923 7.187 -0.221 112 1HB ALA 16 1HB ALA 16 6.807 5.325 -1.736 113 2HB ALA 16 2HB ALA 16 6.779 4.286 -0.312 114 3HB ALA 16 3HB ALA 16 7.807 5.719 -0.338 115 H PHE 17 H PHE 17 4.187 4.144 0.356 116 HA PHE 17 HA PHE 17 2.677 4.109 -2.061 117 1HB PHE 17 2HB PHE 17 2.839 2.251 -0.328 118 2HB PHE 17 1HB PHE 17 1.682 3.166 0.640 119 HD1 PHE 17 1HD PHE 17 2.149 1.852 -2.844 120 HD2 PHE 17 2HD PHE 17 -0.606 2.822 0.307 121 HE1 PHE 17 1HE PHE 17 0.285 0.921 -4.187 122 HE2 PHE 17 2HE PHE 17 -2.470 1.890 -1.037 123 HZ PHE 17 HZ PHE 17 -2.024 0.940 -3.285 124 H ALA 18 H ALA 18 2.190 5.809 0.999 125 HA ALA 18 HA ALA 18 -0.475 6.709 0.547 126 1HB ALA 18 1HB ALA 18 1.807 8.068 2.015 127 2HB ALA 18 2HB ALA 18 0.621 6.971 2.721 128 3HB ALA 18 3HB ALA 18 0.114 8.551 2.120 129 H ASN 19 H ASN 19 2.451 7.492 -1.043 130 HA ASN 19 HA ASN 19 1.978 10.192 -1.811 131 1HB ASN 19 2HB ASN 19 3.387 7.980 -3.338 132 2HB ASN 19 1HB ASN 19 3.515 9.704 -3.694 133 1HD2 ASN 19 1HD2 ASN 19 5.830 8.200 -2.970 134 2HD2 ASN 19 2HD2 ASN 19 6.362 8.725 -1.446 135 H LEU 20 H LEU 20 0.736 7.152 -3.113 136 HA LEU 20 HA LEU 20 -0.341 8.240 -5.553 137 1HB LEU 20 2HB LEU 20 -1.301 5.851 -3.944 138 2HB LEU 20 1HB LEU 20 -1.668 6.178 -5.639 139 HG LEU 20 HG LEU 20 1.127 5.778 -4.530 140 1HD1 LEU 20 1HD1 LEU 20 0.893 3.641 -5.983 141 2HD1 LEU 20 2HD1 LEU 20 -0.844 3.921 -5.861 142 3HD1 LEU 20 3HD1 LEU 20 0.111 3.652 -4.402 143 1HD2 LEU 20 1HD2 LEU 20 1.394 7.046 -6.477 144 2HD2 LEU 20 2HD2 LEU 20 -0.035 6.352 -7.244 145 3HD2 LEU 20 3HD2 LEU 20 1.447 5.403 -7.118 146 HA PRO 21 HA PRO 21 -3.904 10.591 -4.441 147 1HB PRO 21 2HB PRO 21 -5.387 8.589 -6.135 148 2HB PRO 21 1HB PRO 21 -5.528 10.360 -6.112 149 1HG PRO 21 2HG PRO 21 -4.144 9.195 -8.017 150 2HG PRO 21 1HG PRO 21 -3.519 10.662 -7.238 151 1HD PRO 21 2HD PRO 21 -2.617 7.826 -6.898 152 2HD PRO 21 1HD PRO 21 -1.668 9.326 -6.830 153 H LEU 22 H LEU 22 -5.182 10.518 -2.649 154 HA LEU 22 HA LEU 22 -5.329 8.384 -0.877 155 1HB LEU 22 2HB LEU 22 -6.128 10.899 -0.708 156 2HB LEU 22 1HB LEU 22 -7.701 10.201 -1.089 157 HG LEU 22 HG LEU 22 -5.897 9.298 1.176 158 1HD1 LEU 22 1HD1 LEU 22 -8.384 11.022 1.093 159 2HD1 LEU 22 2HD1 LEU 22 -6.799 11.450 1.738 160 3HD1 LEU 22 3HD1 LEU 22 -7.798 10.256 2.569 161 1HD2 LEU 22 1HD2 LEU 22 -7.169 7.416 0.590 162 2HD2 LEU 22 2HD2 LEU 22 -8.553 8.389 0.089 163 3HD2 LEU 22 3HD2 LEU 22 -8.189 8.189 1.804 164 H TRP 23 H TRP 23 -7.922 9.274 -3.199 165 HA TRP 23 HA TRP 23 -9.606 7.067 -2.568 166 1HB TRP 23 2HB TRP 23 -10.783 7.584 -4.611 167 2HB TRP 23 1HB TRP 23 -10.259 9.108 -3.894 168 HD1 TRP 23 HD TRP 23 -8.506 10.538 -5.181 169 HE1 TRP 23 1HE TRP 23 -7.434 10.354 -7.518 170 HE3 TRP 23 3HE TRP 23 -9.941 5.801 -6.438 171 HZ2 TRP 23 2HZ TRP 23 -7.214 8.447 -9.641 172 HZ3 TRP 23 3HZ TRP 23 -9.287 4.826 -8.620 173 HH2 TRP 23 HH TRP 23 -7.927 6.142 -10.222 174 H ARG 24 H ARG 24 -7.040 7.382 -5.023 175 HA ARG 24 HA ARG 24 -7.477 4.884 -6.309 176 1HB ARG 24 2HB ARG 24 -5.986 6.661 -7.191 177 2HB ARG 24 1HB ARG 24 -4.838 6.313 -5.898 178 1HG ARG 24 2HG ARG 24 -4.567 4.023 -6.703 179 2HG ARG 24 1HG ARG 24 -5.783 4.293 -7.951 180 1HD ARG 24 2HD ARG 24 -4.167 5.051 -9.316 181 2HD ARG 24 1HD ARG 24 -3.887 6.388 -8.197 182 HE ARG 24 HE ARG 24 -2.478 4.317 -7.051 183 1HH1 ARG 24 1HH2 ARG 24 -2.683 5.704 -10.199 184 2HH1 ARG 24 2HH2 ARG 24 -1.026 5.390 -10.592 185 1HH2 ARG 24 1HH1 ARG 24 -0.310 3.900 -7.543 186 2HH2 ARG 24 2HH1 ARG 24 0.318 4.370 -9.087 187 H GLN 25 H GLN 25 -5.373 5.676 -3.522 188 HA GLN 25 HA GLN 25 -4.127 3.193 -3.196 189 1HB GLN 25 2HB GLN 25 -5.158 5.061 -1.047 190 2HB GLN 25 1HB GLN 25 -4.041 3.726 -0.760 191 1HG GLN 25 2HG GLN 25 -2.399 4.722 -2.277 192 2HG GLN 25 1HG GLN 25 -3.523 6.021 -2.677 193 1HE2 GLN 25 1HE2 GLN 25 -2.308 7.761 -1.762 194 2HE2 GLN 25 2HE2 GLN 25 -1.987 7.887 -0.100 195 H GLN 26 H GLN 26 -7.390 4.143 -2.078 196 HA GLN 26 HA GLN 26 -7.960 1.619 -0.809 197 1HB GLN 26 2HB GLN 26 -9.830 3.662 -2.050 198 2HB GLN 26 1HB GLN 26 -10.352 2.297 -1.061 199 1HG GLN 26 2HG GLN 26 -8.401 4.416 -0.117 200 2HG GLN 26 1HG GLN 26 -10.131 4.447 0.226 201 1HE2 GLN 26 1HE2 GLN 26 -7.682 4.003 2.052 202 2HE2 GLN 26 2HE2 GLN 26 -8.050 2.569 2.884 203 H ASN 27 H ASN 27 -8.296 2.840 -4.100 204 HA ASN 27 HA ASN 27 -9.785 0.662 -5.194 205 1HB ASN 27 2HB ASN 27 -9.257 2.907 -6.293 206 2HB ASN 27 1HB ASN 27 -7.661 2.251 -6.657 207 1HD2 ASN 27 1HD2 ASN 27 -8.236 2.378 -8.998 208 2HD2 ASN 27 2HD2 ASN 27 -9.246 1.198 -9.683 209 H LEU 28 H LEU 28 -6.249 1.248 -5.184 210 HA LEU 28 HA LEU 28 -5.612 -1.355 -6.259 211 1HB LEU 28 2HB LEU 28 -3.837 0.466 -4.609 212 2HB LEU 28 1HB LEU 28 -3.312 -0.806 -5.710 213 HG LEU 28 HG LEU 28 -4.779 1.737 -6.468 214 1HD1 LEU 28 1HD1 LEU 28 -1.977 0.719 -7.040 215 2HD1 LEU 28 2HD1 LEU 28 -2.399 2.066 -5.983 216 3HD1 LEU 28 3HD1 LEU 28 -2.678 2.188 -7.721 217 1HD2 LEU 28 1HD2 LEU 28 -4.164 0.781 -8.826 218 2HD2 LEU 28 2HD2 LEU 28 -5.587 0.147 -8.000 219 3HD2 LEU 28 3HD2 LEU 28 -4.079 -0.769 -7.988 220 H ARG 29 H ARG 29 -6.021 -0.102 -2.979 221 HA ARG 29 HA ARG 29 -4.890 -2.488 -1.743 222 1HB ARG 29 2HB ARG 29 -6.419 -0.114 -0.672 223 2HB ARG 29 1HB ARG 29 -5.930 -1.461 0.357 224 1HG ARG 29 2HG ARG 29 -3.578 -1.122 -0.301 225 2HG ARG 29 1HG ARG 29 -4.059 0.217 -1.342 226 1HD ARG 29 2HD ARG 29 -4.629 0.150 1.630 227 2HD ARG 29 1HD ARG 29 -3.193 0.902 0.941 228 HE ARG 29 HE ARG 29 -5.297 2.039 -0.470 229 1HH1 ARG 29 1HH2 ARG 29 -4.417 1.633 2.842 230 2HH1 ARG 29 2HH2 ARG 29 -5.187 3.095 3.360 231 1HH2 ARG 29 1HH1 ARG 29 -6.304 3.945 0.190 232 2HH2 ARG 29 2HH1 ARG 29 -6.256 4.404 1.859 233 H ARG 30 H ARG 30 -8.209 -1.291 -2.343 234 HA ARG 30 HA ARG 30 -9.518 -3.416 -0.938 235 1HB ARG 30 2HB ARG 30 -10.561 -1.251 -1.855 236 2HB ARG 30 1HB ARG 30 -10.634 -2.081 -3.412 237 1HG ARG 30 2HG ARG 30 -12.629 -2.882 -2.683 238 2HG ARG 30 1HG ARG 30 -11.662 -3.973 -1.689 239 1HD ARG 30 2HD ARG 30 -12.892 -1.332 -0.885 240 2HD ARG 30 1HD ARG 30 -13.179 -2.921 -0.181 241 HE ARG 30 HE ARG 30 -10.471 -2.515 0.209 242 1HH1 ARG 30 1HH2 ARG 30 -13.367 -0.760 0.854 243 2HH1 ARG 30 2HH2 ARG 30 -12.742 0.010 2.275 244 1HH2 ARG 30 1HH1 ARG 30 -9.638 -1.523 2.056 245 2HH2 ARG 30 2HH1 ARG 30 -10.629 -0.424 2.955 246 H GLU 31 H GLU 31 -8.548 -3.087 -4.357 247 HA GLU 31 HA GLU 31 -9.539 -5.637 -5.210 248 1HB GLU 31 2HB GLU 31 -7.204 -3.986 -6.232 249 2HB GLU 31 1HB GLU 31 -7.879 -5.383 -7.069 250 1HG GLU 31 2HG GLU 31 -9.469 -2.915 -6.316 251 2HG GLU 31 1HG GLU 31 -8.775 -3.205 -7.912 252 H ARG 32 H ARG 32 -6.887 -4.741 -3.221 253 HA ARG 32 HA ARG 32 -5.338 -7.180 -3.751 254 1HB ARG 32 2HB ARG 32 -4.374 -4.887 -3.116 255 2HB ARG 32 1HB ARG 32 -4.910 -5.248 -1.474 256 1HG ARG 32 2HG ARG 32 -2.774 -6.129 -1.387 257 2HG ARG 32 1HG ARG 32 -3.660 -7.547 -1.950 258 1HD ARG 32 2HD ARG 32 -3.170 -6.671 -4.331 259 2HD ARG 32 1HD ARG 32 -1.972 -5.633 -3.560 260 HE ARG 32 HE ARG 32 -1.405 -8.169 -2.578 261 1HH1 ARG 32 1HH2 ARG 32 -1.806 -6.700 -5.672 262 2HH1 ARG 32 2HH2 ARG 32 -0.680 -7.750 -6.464 263 1HH2 ARG 32 1HH1 ARG 32 0.068 -9.548 -3.595 264 2HH2 ARG 32 2HH1 ARG 32 0.381 -9.363 -5.288 265 H GLY 33 H GLY 33 -7.815 -6.152 -1.517 266 1HA GLY 33 2HA GLY 33 -9.060 -7.682 -0.144 267 2HA GLY 33 1HA GLY 33 -7.752 -8.853 -0.311 268 H LEU 34 H LEU 34 -6.404 -5.871 0.374 269 HA LEU 34 HA LEU 34 -6.132 -6.637 3.245 270 1HB LEU 34 2HB LEU 34 -4.452 -4.641 1.709 271 2HB LEU 34 1HB LEU 34 -4.080 -5.390 3.262 272 HG LEU 34 HG LEU 34 -4.340 -6.867 0.626 273 1HD1 LEU 34 1HD1 LEU 34 -1.920 -7.142 0.774 274 2HD1 LEU 34 2HD1 LEU 34 -1.886 -6.273 2.308 275 3HD1 LEU 34 3HD1 LEU 34 -2.309 -5.422 0.822 276 1HD2 LEU 34 1HD2 LEU 34 -3.810 -7.710 3.474 277 2HD2 LEU 34 2HD2 LEU 34 -3.212 -8.674 2.123 278 3HD2 LEU 34 3HD2 LEU 34 -4.945 -8.402 2.313 279 H PHE 35 H PHE 35 -6.069 -4.794 4.814 280 HA PHE 35 HA PHE 35 -7.180 -2.969 5.793 281 1HB PHE 35 2HB PHE 35 -6.622 -1.964 2.995 282 2HB PHE 35 1HB PHE 35 -7.326 -0.941 4.247 283 HD1 PHE 35 1HD PHE 35 -4.334 -2.883 3.257 284 HD2 PHE 35 2HD PHE 35 -6.018 -0.161 6.121 285 HE1 PHE 35 1HE PHE 35 -2.074 -2.470 4.193 286 HE2 PHE 35 2HE PHE 35 -3.759 0.251 7.059 287 HZ PHE 35 HZ PHE 35 -1.787 -0.904 6.094 Start of MODEL 12 1 1H LEU 1 1HT LEU 1 0.700 -0.714 8.390 2 2H LEU 1 2HT LEU 1 0.666 -1.153 10.030 3 3H LEU 1 3HT LEU 1 -0.656 -0.341 9.338 4 HA LEU 1 HA LEU 1 -0.989 -2.781 9.679 5 1HB LEU 1 2HB LEU 1 -2.237 -1.338 8.009 6 2HB LEU 1 1HB LEU 1 -1.081 -1.875 6.790 7 HG LEU 1 HG LEU 1 -1.715 -4.276 7.634 8 1HD1 LEU 1 1HD1 LEU 1 -4.141 -4.326 8.334 9 2HD1 LEU 1 2HD1 LEU 1 -4.053 -2.577 8.548 10 3HD1 LEU 1 3HD1 LEU 1 -3.054 -3.638 9.543 11 1HD2 LEU 1 1HD2 LEU 1 -2.199 -3.534 5.382 12 2HD2 LEU 1 2HD2 LEU 1 -3.517 -2.509 5.952 13 3HD2 LEU 1 3HD2 LEU 1 -3.668 -4.265 6.029 14 H SER 2 H SER 2 0.836 -4.088 10.092 15 HA SER 2 HA SER 2 2.703 -5.433 9.576 16 1HB SER 2 2HB SER 2 0.609 -6.474 8.401 17 2HB SER 2 1HB SER 2 1.370 -5.904 6.919 18 HG SER 2 HG SER 2 2.427 -7.671 8.871 19 H ASP 3 H ASP 3 3.862 -3.215 9.308 20 HA ASP 3 HA ASP 3 4.413 -2.096 6.767 21 1HB ASP 3 2HB ASP 3 6.234 -2.329 9.184 22 2HB ASP 3 1HB ASP 3 6.523 -1.269 7.804 23 H GLU 4 H GLU 4 5.695 -4.962 8.351 24 HA GLU 4 HA GLU 4 7.860 -5.384 6.470 25 1HB GLU 4 2HB GLU 4 7.640 -6.416 8.800 26 2HB GLU 4 1HB GLU 4 6.452 -7.513 8.096 27 1HG GLU 4 2HG GLU 4 8.152 -8.210 6.407 28 2HG GLU 4 1HG GLU 4 9.339 -7.192 7.225 29 H ASP 5 H ASP 5 4.650 -6.915 6.865 30 HA ASP 5 HA ASP 5 4.826 -8.376 4.379 31 1HB ASP 5 2HB ASP 5 3.276 -8.821 6.404 32 2HB ASP 5 1HB ASP 5 2.244 -7.567 5.717 33 H PHE 6 H PHE 6 3.295 -5.307 5.328 34 HA PHE 6 HA PHE 6 1.984 -4.672 2.925 35 1HB PHE 6 2HB PHE 6 1.777 -3.290 4.936 36 2HB PHE 6 1HB PHE 6 3.472 -2.819 4.810 37 HD1 PHE 6 1HD PHE 6 0.093 -2.293 3.537 38 HD2 PHE 6 2HD PHE 6 4.250 -1.414 2.904 39 HE1 PHE 6 1HE PHE 6 -0.531 -0.445 2.006 40 HE2 PHE 6 2HE PHE 6 3.625 0.434 1.372 41 HZ PHE 6 HZ PHE 6 1.235 0.919 0.923 42 H ARG 7 H ARG 7 5.287 -3.618 3.841 43 HA ARG 7 HA ARG 7 6.016 -2.435 1.416 44 1HB ARG 7 2HB ARG 7 7.390 -2.472 3.520 45 2HB ARG 7 1HB ARG 7 7.850 -4.132 3.138 46 1HG ARG 7 2HG ARG 7 8.797 -3.367 0.985 47 2HG ARG 7 1HG ARG 7 8.354 -1.707 1.385 48 1HD ARG 7 2HD ARG 7 9.739 -2.559 3.634 49 2HD ARG 7 1HD ARG 7 10.632 -3.295 2.306 50 HE ARG 7 HE ARG 7 10.824 -0.578 2.985 51 1HH1 ARG 7 1HH2 ARG 7 9.977 -2.513 0.260 52 2HH1 ARG 7 2HH2 ARG 7 10.532 -1.355 -0.901 53 1HH2 ARG 7 1HH1 ARG 7 11.552 0.943 1.487 54 2HH2 ARG 7 2HH1 ARG 7 11.424 0.602 -0.206 55 H ALA 8 H ALA 8 6.017 -5.877 2.258 56 HA ALA 8 HA ALA 8 7.334 -6.769 -0.142 57 1HB ALA 8 1HB ALA 8 5.341 -8.315 1.533 58 2HB ALA 8 2HB ALA 8 7.035 -8.116 1.978 59 3HB ALA 8 3HB ALA 8 6.606 -8.978 0.500 60 H VAL 9 H VAL 9 3.993 -5.972 0.619 61 HA VAL 9 HA VAL 9 2.849 -7.299 -1.677 62 HB VAL 9 HB VAL 9 1.806 -5.044 0.053 63 1HG1 VAL 9 1HG1 VAL 9 -0.420 -5.801 -0.946 64 2HG1 VAL 9 2HG1 VAL 9 0.526 -6.652 -2.168 65 3HG1 VAL 9 3HG1 VAL 9 0.639 -4.897 -2.029 66 1HG2 VAL 9 1HG2 VAL 9 2.234 -7.370 1.045 67 2HG2 VAL 9 2HG2 VAL 9 0.968 -7.951 -0.036 68 3HG2 VAL 9 3HG2 VAL 9 0.591 -6.752 1.201 69 1HN PF5 10 H PF5 10 3.614 -3.832 -1.085 70 HA PF5 10 HA PF5 10 3.248 -3.401 -4.009 71 1HB PF5 10 1HB PF5 10 2.988 -1.060 -3.486 72 2HB PF5 10 2HB PF5 10 3.553 -1.320 -1.830 73 H GLY 11 H GLY 11 5.716 -3.850 -1.736 74 1HA GLY 11 2HA GLY 11 8.046 -3.870 -2.139 75 2HA GLY 11 1HA GLY 11 7.732 -3.237 -3.755 76 H MET 12 H MET 12 6.378 -1.621 -0.978 77 HA MET 12 HA MET 12 8.583 0.296 -0.761 78 1HB MET 12 2HB MET 12 7.385 2.227 -1.567 79 2HB MET 12 1HB MET 12 7.306 0.999 -2.831 80 1HG MET 12 2HG MET 12 5.091 0.345 -1.417 81 2HG MET 12 1HG MET 12 5.145 2.082 -1.110 82 1HE MET 12 1HE MET 12 4.978 3.750 -4.495 83 2HE MET 12 2HE MET 12 6.438 3.355 -3.592 84 3HE MET 12 3HE MET 12 4.997 3.891 -2.731 85 H THR 13 H THR 13 8.256 1.760 1.037 86 HA THR 13 HA THR 13 6.705 0.609 3.184 87 HB THR 13 HB THR 13 7.345 2.844 4.323 88 HG1 THR 13 1HG THR 13 7.680 3.871 2.245 89 1HG2 THR 13 1HG2 THR 13 8.575 0.759 4.690 90 2HG2 THR 13 2HG2 THR 13 9.704 2.107 4.556 91 3HG2 THR 13 3HG2 THR 13 9.477 1.008 3.195 92 H ARG 14 H ARG 14 4.903 1.638 4.296 93 HA ARG 14 HA ARG 14 2.805 2.517 2.631 94 1HB ARG 14 2HB ARG 14 3.240 3.090 5.578 95 2HB ARG 14 1HB ARG 14 1.714 3.308 4.722 96 1HG ARG 14 2HG ARG 14 1.910 0.845 4.045 97 2HG ARG 14 1HG ARG 14 3.196 0.724 5.246 98 1HD ARG 14 2HD ARG 14 1.161 0.085 6.367 99 2HD ARG 14 1HD ARG 14 1.567 1.698 6.936 100 HE ARG 14 HE ARG 14 -0.099 2.118 4.738 101 1HH1 ARG 14 1HH2 ARG 14 -0.236 0.333 7.694 102 2HH1 ARG 14 2HH2 ARG 14 -1.947 0.528 7.882 103 1HH2 ARG 14 1HH1 ARG 14 -2.332 2.370 4.971 104 2HH2 ARG 14 2HH1 ARG 14 -3.130 1.681 6.345 105 H SER 15 H SER 15 5.415 4.343 4.114 106 HA SER 15 HA SER 15 4.269 6.953 3.909 107 1HB SER 15 2HB SER 15 7.191 6.205 3.573 108 2HB SER 15 1HB SER 15 6.555 7.788 4.015 109 HG SER 15 HG SER 15 5.795 5.573 5.540 110 H ALA 16 H ALA 16 6.212 5.052 1.603 111 HA ALA 16 HA ALA 16 6.086 7.095 -0.460 112 1HB ALA 16 1HB ALA 16 7.921 5.602 -0.637 113 2HB ALA 16 2HB ALA 16 6.826 5.104 -1.927 114 3HB ALA 16 3HB ALA 16 6.893 4.185 -0.422 115 H PHE 17 H PHE 17 4.360 4.040 0.176 116 HA PHE 17 HA PHE 17 2.738 4.014 -2.148 117 1HB PHE 17 2HB PHE 17 2.932 2.197 -0.368 118 2HB PHE 17 1HB PHE 17 1.809 3.151 0.601 119 HD1 PHE 17 1HD PHE 17 2.185 1.720 -2.846 120 HD2 PHE 17 2HD PHE 17 -0.494 2.848 0.317 121 HE1 PHE 17 1HE PHE 17 0.280 0.777 -4.123 122 HE2 PHE 17 2HE PHE 17 -2.399 1.904 -0.960 123 HZ PHE 17 HZ PHE 17 -2.012 0.870 -3.181 124 H ALA 18 H ALA 18 2.438 5.834 0.857 125 HA ALA 18 HA ALA 18 -0.243 6.758 0.480 126 1HB ALA 18 1HB ALA 18 1.986 8.335 1.785 127 2HB ALA 18 2HB ALA 18 1.196 6.974 2.581 128 3HB ALA 18 3HB ALA 18 0.262 8.406 2.144 129 H ASN 19 H ASN 19 2.382 7.199 -1.485 130 HA ASN 19 HA ASN 19 2.084 9.998 -2.176 131 1HB ASN 19 2HB ASN 19 3.568 9.490 -4.030 132 2HB ASN 19 1HB ASN 19 4.150 8.638 -2.600 133 1HD2 ASN 19 1HD2 ASN 19 4.336 7.962 -5.603 134 2HD2 ASN 19 2HD2 ASN 19 3.749 6.371 -5.700 135 H LEU 20 H LEU 20 0.476 7.054 -3.152 136 HA LEU 20 HA LEU 20 -0.646 8.140 -5.613 137 1HB LEU 20 2HB LEU 20 -1.834 5.858 -4.041 138 2HB LEU 20 1HB LEU 20 -1.808 6.095 -5.788 139 HG LEU 20 HG LEU 20 0.592 5.491 -4.033 140 1HD1 LEU 20 1HD1 LEU 20 -1.095 3.881 -5.945 141 2HD1 LEU 20 2HD1 LEU 20 -0.587 3.466 -4.307 142 3HD1 LEU 20 3HD1 LEU 20 0.583 3.438 -5.626 143 1HD2 LEU 20 1HD2 LEU 20 1.679 5.230 -6.351 144 2HD2 LEU 20 2HD2 LEU 20 1.366 6.879 -5.809 145 3HD2 LEU 20 3HD2 LEU 20 0.289 6.115 -6.978 146 HA PRO 21 HA PRO 21 -4.087 10.564 -4.267 147 1HB PRO 21 2HB PRO 21 -5.723 8.589 -5.846 148 2HB PRO 21 1HB PRO 21 -5.821 10.363 -5.824 149 1HG PRO 21 2HG PRO 21 -4.600 9.160 -7.814 150 2HG PRO 21 1HG PRO 21 -3.887 10.613 -7.086 151 1HD PRO 21 2HD PRO 21 -3.038 7.754 -6.791 152 2HD PRO 21 1HD PRO 21 -2.045 9.228 -6.806 153 H LEU 22 H LEU 22 -5.362 10.532 -2.456 154 HA LEU 22 HA LEU 22 -5.367 8.408 -0.637 155 1HB LEU 22 2HB LEU 22 -5.965 10.764 -0.103 156 2HB LEU 22 1HB LEU 22 -7.516 10.529 -0.908 157 HG LEU 22 HG LEU 22 -7.987 8.639 0.671 158 1HD1 LEU 22 1HD1 LEU 22 -5.948 7.865 1.480 159 2HD1 LEU 22 2HD1 LEU 22 -6.463 8.886 2.823 160 3HD1 LEU 22 3HD1 LEU 22 -5.285 9.490 1.657 161 1HD2 LEU 22 1HD2 LEU 22 -8.867 10.893 1.113 162 2HD2 LEU 22 2HD2 LEU 22 -7.366 11.333 1.928 163 3HD2 LEU 22 3HD2 LEU 22 -8.423 10.108 2.629 164 H TRP 23 H TRP 23 -7.926 9.212 -3.003 165 HA TRP 23 HA TRP 23 -9.644 7.044 -2.168 166 1HB TRP 23 2HB TRP 23 -10.968 7.586 -4.114 167 2HB TRP 23 1HB TRP 23 -10.397 9.100 -3.411 168 HD1 TRP 23 HD TRP 23 -8.789 10.576 -4.815 169 HE1 TRP 23 1HE TRP 23 -7.871 10.428 -7.219 170 HE3 TRP 23 3HE TRP 23 -10.193 5.812 -6.002 171 HZ2 TRP 23 2HZ TRP 23 -7.748 8.538 -9.363 172 HZ3 TRP 23 3HZ TRP 23 -9.664 4.863 -8.229 173 HH2 TRP 23 HH TRP 23 -8.444 6.218 -9.910 174 H ARG 24 H ARG 24 -7.200 7.375 -4.729 175 HA ARG 24 HA ARG 24 -7.751 4.912 -6.055 176 1HB ARG 24 2HB ARG 24 -6.291 6.702 -6.976 177 2HB ARG 24 1HB ARG 24 -5.073 6.299 -5.765 178 1HG ARG 24 2HG ARG 24 -4.873 4.038 -6.652 179 2HG ARG 24 1HG ARG 24 -6.179 4.341 -7.798 180 1HD ARG 24 2HD ARG 24 -4.599 5.019 -9.255 181 2HD ARG 24 1HD ARG 24 -4.383 6.439 -8.228 182 HE ARG 24 HE ARG 24 -2.795 4.547 -7.009 183 1HH1 ARG 24 1HH2 ARG 24 -3.193 5.715 -10.226 184 2HH1 ARG 24 2HH2 ARG 24 -1.531 5.493 -10.657 185 1HH2 ARG 24 1HH1 ARG 24 -0.619 4.251 -7.550 186 2HH2 ARG 24 2HH1 ARG 24 -0.072 4.665 -9.141 187 H GLN 25 H GLN 25 -5.531 5.630 -3.345 188 HA GLN 25 HA GLN 25 -4.255 3.153 -3.134 189 1HB GLN 25 2HB GLN 25 -5.232 4.967 -0.916 190 2HB GLN 25 1HB GLN 25 -4.139 3.604 -0.667 191 1HG GLN 25 2HG GLN 25 -2.524 4.604 -2.251 192 2HG GLN 25 1HG GLN 25 -3.611 5.973 -2.494 193 1HE2 GLN 25 1HE2 GLN 25 -1.960 4.228 0.197 194 2HE2 GLN 25 2HE2 GLN 25 -1.685 5.622 1.128 195 H GLN 26 H GLN 26 -7.504 4.022 -1.924 196 HA GLN 26 HA GLN 26 -8.020 1.489 -0.671 197 1HB GLN 26 2HB GLN 26 -9.946 3.465 -1.932 198 2HB GLN 26 1HB GLN 26 -10.424 2.104 -0.917 199 1HG GLN 26 2HG GLN 26 -9.125 3.019 0.956 200 2HG GLN 26 1HG GLN 26 -8.593 4.363 -0.055 201 1HE2 GLN 26 1HE2 GLN 26 -10.164 4.663 2.400 202 2HE2 GLN 26 2HE2 GLN 26 -11.652 5.350 1.957 203 H ASN 27 H ASN 27 -8.415 2.692 -3.966 204 HA ASN 27 HA ASN 27 -9.820 0.450 -5.044 205 1HB ASN 27 2HB ASN 27 -9.447 2.687 -6.173 206 2HB ASN 27 1HB ASN 27 -7.790 2.175 -6.494 207 1HD2 ASN 27 1HD2 ASN 27 -11.187 1.081 -7.025 208 2HD2 ASN 27 2HD2 ASN 27 -10.858 0.301 -8.498 209 H LEU 28 H LEU 28 -6.313 1.188 -5.052 210 HA LEU 28 HA LEU 28 -5.568 -1.378 -6.142 211 1HB LEU 28 2HB LEU 28 -3.869 0.505 -4.484 212 2HB LEU 28 1HB LEU 28 -3.292 -0.736 -5.595 213 HG LEU 28 HG LEU 28 -4.852 1.759 -6.322 214 1HD1 LEU 28 1HD1 LEU 28 -2.835 2.453 -7.420 215 2HD1 LEU 28 2HD1 LEU 28 -2.095 0.867 -7.199 216 3HD1 LEU 28 3HD1 LEU 28 -2.360 1.917 -5.808 217 1HD2 LEU 28 1HD2 LEU 28 -5.643 0.159 -7.853 218 2HD2 LEU 28 2HD2 LEU 28 -4.114 -0.719 -7.869 219 3HD2 LEU 28 3HD2 LEU 28 -4.247 0.832 -8.697 220 H ARG 29 H ARG 29 -6.053 -0.175 -2.859 221 HA ARG 29 HA ARG 29 -4.806 -2.513 -1.637 222 1HB ARG 29 2HB ARG 29 -6.438 -0.215 -0.554 223 2HB ARG 29 1HB ARG 29 -5.898 -1.547 0.468 224 1HG ARG 29 2HG ARG 29 -3.556 -1.110 -0.212 225 2HG ARG 29 1HG ARG 29 -4.104 0.246 -1.197 226 1HD ARG 29 2HD ARG 29 -4.469 -0.004 1.804 227 2HD ARG 29 1HD ARG 29 -3.285 1.024 0.998 228 HE ARG 29 HE ARG 29 -5.703 1.807 -0.104 229 1HH1 ARG 29 1HH2 ARG 29 -4.409 1.427 3.071 230 2HH1 ARG 29 2HH2 ARG 29 -5.372 2.694 3.756 231 1HH2 ARG 29 1HH1 ARG 29 -6.962 3.459 0.771 232 2HH2 ARG 29 2HH1 ARG 29 -6.818 3.844 2.454 233 H ARG 30 H ARG 30 -8.184 -1.448 -2.178 234 HA ARG 30 HA ARG 30 -9.351 -3.705 -0.836 235 1HB ARG 30 2HB ARG 30 -10.392 -1.839 -2.977 236 2HB ARG 30 1HB ARG 30 -11.375 -3.139 -2.302 237 1HG ARG 30 2HG ARG 30 -11.018 -2.213 -0.029 238 2HG ARG 30 1HG ARG 30 -10.076 -0.895 -0.728 239 1HD ARG 30 2HD ARG 30 -12.991 -1.499 -1.309 240 2HD ARG 30 1HD ARG 30 -12.385 -0.163 -0.332 241 HE ARG 30 HE ARG 30 -11.108 0.166 -2.769 242 1HH1 ARG 30 1HH2 ARG 30 -14.357 -0.229 -1.684 243 2HH1 ARG 30 2HH2 ARG 30 -15.038 0.726 -2.959 244 1HH2 ARG 30 1HH1 ARG 30 -11.977 1.413 -4.436 245 2HH2 ARG 30 2HH1 ARG 30 -13.689 1.656 -4.517 246 H GLU 31 H GLU 31 -8.448 -3.125 -4.230 247 HA GLU 31 HA GLU 31 -9.413 -5.624 -5.254 248 1HB GLU 31 2HB GLU 31 -7.189 -3.774 -6.162 249 2HB GLU 31 1HB GLU 31 -7.670 -5.208 -7.067 250 1HG GLU 31 2HG GLU 31 -9.970 -4.332 -7.238 251 2HG GLU 31 1HG GLU 31 -9.490 -2.897 -6.330 252 H ARG 32 H ARG 32 -6.786 -4.843 -3.201 253 HA ARG 32 HA ARG 32 -5.303 -7.316 -3.893 254 1HB ARG 32 2HB ARG 32 -4.306 -4.920 -3.363 255 2HB ARG 32 1HB ARG 32 -4.459 -5.471 -1.694 256 1HG ARG 32 2HG ARG 32 -2.366 -6.316 -2.148 257 2HG ARG 32 1HG ARG 32 -3.334 -7.669 -2.732 258 1HD ARG 32 2HD ARG 32 -2.527 -5.379 -4.532 259 2HD ARG 32 1HD ARG 32 -1.516 -6.810 -4.322 260 HE ARG 32 HE ARG 32 -3.994 -7.858 -4.958 261 1HH1 ARG 32 1HH2 ARG 32 -1.891 -5.475 -6.294 262 2HH1 ARG 32 2HH2 ARG 32 -2.379 -5.770 -7.930 263 1HH2 ARG 32 1HH1 ARG 32 -4.643 -8.257 -7.086 264 2HH2 ARG 32 2HH1 ARG 32 -3.937 -7.346 -8.378 265 H GLY 33 H GLY 33 -7.779 -6.408 -1.791 266 1HA GLY 33 2HA GLY 33 -8.820 -7.929 -0.247 267 2HA GLY 33 1HA GLY 33 -7.324 -8.859 -0.195 268 H LEU 34 H LEU 34 -6.325 -5.754 0.085 269 HA LEU 34 HA LEU 34 -6.344 -5.941 3.066 270 1HB LEU 34 2HB LEU 34 -4.526 -4.229 1.354 271 2HB LEU 34 1HB LEU 34 -4.325 -4.645 3.056 272 HG LEU 34 HG LEU 34 -4.223 -6.587 0.731 273 1HD1 LEU 34 1HD1 LEU 34 -2.248 -5.021 1.086 274 2HD1 LEU 34 2HD1 LEU 34 -1.872 -6.741 1.182 275 3HD1 LEU 34 3HD1 LEU 34 -2.029 -5.789 2.658 276 1HD2 LEU 34 1HD2 LEU 34 -3.356 -8.089 2.674 277 2HD2 LEU 34 2HD2 LEU 34 -5.094 -7.823 2.541 278 3HD2 LEU 34 3HD2 LEU 34 -4.152 -6.920 3.727 279 H PHE 35 H PHE 35 -7.255 -4.294 4.257 280 HA PHE 35 HA PHE 35 -7.666 -1.624 3.259 281 1HB PHE 35 2HB PHE 35 -10.064 -1.651 2.932 282 2HB PHE 35 1HB PHE 35 -9.365 -2.903 1.905 283 HD1 PHE 35 1HD PHE 35 -11.476 -2.207 4.806 284 HD2 PHE 35 2HD PHE 35 -9.505 -5.296 2.565 285 HE1 PHE 35 1HE PHE 35 -12.873 -3.917 5.935 286 HE2 PHE 35 2HE PHE 35 -10.901 -7.006 3.694 287 HZ PHE 35 HZ PHE 35 -12.585 -6.317 5.379 Start of MODEL 13 1 1H LEU 1 1HT LEU 1 1.843 0.045 10.934 2 2H LEU 1 2HT LEU 1 2.791 -1.235 11.523 3 3H LEU 1 3HT LEU 1 1.359 -0.798 12.324 4 HA LEU 1 HA LEU 1 0.279 -2.307 11.139 5 1HB LEU 1 2HB LEU 1 1.137 -0.384 8.975 6 2HB LEU 1 1HB LEU 1 0.150 -1.797 8.602 7 HG LEU 1 HG LEU 1 -1.509 -1.055 10.301 8 1HD1 LEU 1 1HD1 LEU 1 -0.244 0.224 11.837 9 2HD1 LEU 1 2HD1 LEU 1 -1.223 1.423 10.991 10 3HD1 LEU 1 3HD1 LEU 1 0.473 1.206 10.560 11 1HD2 LEU 1 1HD2 LEU 1 -2.484 0.663 8.946 12 2HD2 LEU 1 2HD2 LEU 1 -1.574 -0.366 7.840 13 3HD2 LEU 1 3HD2 LEU 1 -0.906 1.184 8.353 14 H SER 2 H SER 2 0.536 -3.838 9.045 15 HA SER 2 HA SER 2 2.892 -5.405 9.513 16 1HB SER 2 2HB SER 2 1.314 -5.609 6.965 17 2HB SER 2 1HB SER 2 2.032 -6.895 7.930 18 HG SER 2 HG SER 2 -0.345 -5.458 8.307 19 H ASP 3 H ASP 3 4.319 -3.345 9.190 20 HA ASP 3 HA ASP 3 4.813 -2.302 6.586 21 1HB ASP 3 2HB ASP 3 6.964 -1.556 7.481 22 2HB ASP 3 1HB ASP 3 5.709 -1.310 8.696 23 H GLU 4 H GLU 4 5.918 -5.229 8.200 24 HA GLU 4 HA GLU 4 7.935 -5.911 6.243 25 1HB GLU 4 2HB GLU 4 7.693 -6.882 8.597 26 2HB GLU 4 1HB GLU 4 6.373 -7.859 7.955 27 1HG GLU 4 2HG GLU 4 7.925 -8.758 6.222 28 2HG GLU 4 1HG GLU 4 9.242 -7.853 6.973 29 H ASP 5 H ASP 5 4.591 -7.070 6.768 30 HA ASP 5 HA ASP 5 4.544 -8.566 4.285 31 1HB ASP 5 2HB ASP 5 3.068 -8.900 6.384 32 2HB ASP 5 1HB ASP 5 2.102 -7.566 5.751 33 H PHE 6 H PHE 6 3.262 -5.407 5.315 34 HA PHE 6 HA PHE 6 1.937 -4.692 2.925 35 1HB PHE 6 2HB PHE 6 1.771 -3.358 4.979 36 2HB PHE 6 1HB PHE 6 3.474 -2.918 4.847 37 HD1 PHE 6 1HD PHE 6 0.098 -2.387 3.505 38 HD2 PHE 6 2HD PHE 6 4.257 -1.401 3.076 39 HE1 PHE 6 1HE PHE 6 -0.504 -0.494 2.019 40 HE2 PHE 6 2HE PHE 6 3.655 0.491 1.590 41 HZ PHE 6 HZ PHE 6 1.274 0.945 1.062 42 H ARG 7 H ARG 7 5.262 -3.746 3.877 43 HA ARG 7 HA ARG 7 6.035 -2.530 1.485 44 1HB ARG 7 2HB ARG 7 7.424 -2.597 3.543 45 2HB ARG 7 1HB ARG 7 7.771 -4.298 3.237 46 1HG ARG 7 2HG ARG 7 8.841 -3.732 1.112 47 2HG ARG 7 1HG ARG 7 8.424 -2.032 1.331 48 1HD ARG 7 2HD ARG 7 10.704 -2.263 2.035 49 2HD ARG 7 1HD ARG 7 9.743 -2.108 3.502 50 HE ARG 7 HE ARG 7 9.895 -4.850 3.074 51 1HH1 ARG 7 1HH2 ARG 7 12.109 -2.220 3.344 52 2HH1 ARG 7 2HH2 ARG 7 13.380 -3.187 4.014 53 1HH2 ARG 7 1HH1 ARG 7 11.540 -6.125 3.946 54 2HH2 ARG 7 2HH1 ARG 7 13.058 -5.398 4.355 55 H ALA 8 H ALA 8 5.871 -5.982 2.226 56 HA ALA 8 HA ALA 8 7.205 -6.857 -0.180 57 1HB ALA 8 1HB ALA 8 6.048 -9.052 0.361 58 2HB ALA 8 2HB ALA 8 5.300 -8.234 1.732 59 3HB ALA 8 3HB ALA 8 7.054 -8.400 1.653 60 H VAL 9 H VAL 9 3.874 -6.001 0.583 61 HA VAL 9 HA VAL 9 2.763 -7.207 -1.811 62 HB VAL 9 HB VAL 9 1.658 -5.131 0.095 63 1HG1 VAL 9 1HG1 VAL 9 0.492 -4.813 -1.961 64 2HG1 VAL 9 2HG1 VAL 9 -0.544 -5.865 -0.995 65 3HG1 VAL 9 3HG1 VAL 9 0.447 -6.546 -2.287 66 1HG2 VAL 9 1HG2 VAL 9 0.457 -6.959 1.067 67 2HG2 VAL 9 2HG2 VAL 9 2.121 -7.520 0.892 68 3HG2 VAL 9 3HG2 VAL 9 0.889 -8.038 -0.260 69 1HN PF5 10 H PF5 10 3.407 -3.776 -0.922 70 HA PF5 10 HA PF5 10 3.070 -3.119 -3.807 71 1HB PF5 10 1HB PF5 10 2.698 -0.849 -3.105 72 2HB PF5 10 2HB PF5 10 3.279 -1.204 -1.471 73 H GLY 11 H GLY 11 5.548 -4.169 -2.122 74 1HA GLY 11 2HA GLY 11 7.870 -3.800 -2.159 75 2HA GLY 11 1HA GLY 11 7.572 -3.206 -3.793 76 H MET 12 H MET 12 5.927 -1.520 -1.289 77 HA MET 12 HA MET 12 8.075 0.530 -1.127 78 1HB MET 12 2HB MET 12 5.815 0.787 -2.803 79 2HB MET 12 1HB MET 12 5.505 1.820 -1.407 80 1HG MET 12 2HG MET 12 6.708 3.180 -2.956 81 2HG MET 12 1HG MET 12 7.877 2.719 -1.718 82 1HE MET 12 1HE MET 12 6.275 1.246 -5.030 83 2HE MET 12 2HE MET 12 7.650 1.513 -6.098 84 3HE MET 12 3HE MET 12 6.913 2.879 -5.264 85 H THR 13 H THR 13 7.659 2.087 0.651 86 HA THR 13 HA THR 13 6.433 0.723 2.945 87 HB THR 13 HB THR 13 7.233 2.837 4.152 88 HG1 THR 13 1HG THR 13 7.265 3.987 2.054 89 1HG2 THR 13 1HG2 THR 13 9.295 1.269 2.579 90 2HG2 THR 13 2HG2 THR 13 8.517 0.706 4.059 91 3HG2 THR 13 3HG2 THR 13 9.568 2.123 4.098 92 H ARG 14 H ARG 14 4.750 1.707 4.255 93 HA ARG 14 HA ARG 14 2.522 2.690 2.843 94 1HB ARG 14 2HB ARG 14 3.297 2.989 5.753 95 2HB ARG 14 1HB ARG 14 1.739 3.520 5.120 96 1HG ARG 14 2HG ARG 14 2.645 0.740 4.479 97 2HG ARG 14 1HG ARG 14 2.052 1.066 6.108 98 1HD ARG 14 2HD ARG 14 0.541 1.694 3.550 99 2HD ARG 14 1HD ARG 14 0.215 0.331 4.612 100 HE ARG 14 HE ARG 14 0.083 2.552 6.283 101 1HH1 ARG 14 1HH2 ARG 14 -1.360 1.587 3.294 102 2HH1 ARG 14 2HH2 ARG 14 -2.854 2.410 3.602 103 1HH2 ARG 14 1HH1 ARG 14 -1.858 3.634 6.688 104 2HH2 ARG 14 2HH1 ARG 14 -3.135 3.564 5.520 105 H SER 15 H SER 15 5.288 4.422 4.146 106 HA SER 15 HA SER 15 4.126 7.055 4.054 107 1HB SER 15 2HB SER 15 6.275 6.447 5.239 108 2HB SER 15 1HB SER 15 7.044 6.336 3.658 109 HG SER 15 HG SER 15 5.559 8.626 4.219 110 H ALA 16 H ALA 16 6.094 5.208 1.723 111 HA ALA 16 HA ALA 16 5.907 7.283 -0.312 112 1HB ALA 16 1HB ALA 16 7.793 5.673 -0.242 113 2HB ALA 16 2HB ALA 16 6.942 5.606 -1.786 114 3HB ALA 16 3HB ALA 16 6.667 4.357 -0.571 115 H PHE 17 H PHE 17 4.317 4.145 0.272 116 HA PHE 17 HA PHE 17 2.717 4.073 -2.066 117 1HB PHE 17 2HB PHE 17 2.961 2.226 -0.354 118 2HB PHE 17 1HB PHE 17 1.857 3.130 0.684 119 HD1 PHE 17 1HD PHE 17 2.093 1.965 -2.881 120 HD2 PHE 17 2HD PHE 17 -0.412 2.625 0.546 121 HE1 PHE 17 1HE PHE 17 0.159 1.018 -4.111 122 HE2 PHE 17 2HE PHE 17 -2.346 1.678 -0.685 123 HZ PHE 17 HZ PHE 17 -2.060 0.874 -3.014 124 H ALA 18 H ALA 18 2.279 5.807 0.982 125 HA ALA 18 HA ALA 18 -0.427 6.633 0.565 126 1HB ALA 18 1HB ALA 18 0.247 8.566 2.091 127 2HB ALA 18 2HB ALA 18 1.872 7.880 2.090 128 3HB ALA 18 3HB ALA 18 0.522 6.950 2.742 129 H ASN 19 H ASN 19 2.452 7.462 -1.065 130 HA ASN 19 HA ASN 19 1.944 10.171 -1.788 131 1HB ASN 19 2HB ASN 19 3.354 7.991 -3.357 132 2HB ASN 19 1HB ASN 19 3.454 9.718 -3.702 133 1HD2 ASN 19 1HD2 ASN 19 5.833 8.376 -3.081 134 2HD2 ASN 19 2HD2 ASN 19 6.368 8.840 -1.539 135 H LEU 20 H LEU 20 0.724 7.131 -3.118 136 HA LEU 20 HA LEU 20 -0.387 8.210 -5.535 137 1HB LEU 20 2HB LEU 20 -1.336 5.841 -3.894 138 2HB LEU 20 1HB LEU 20 -1.743 6.159 -5.580 139 HG LEU 20 HG LEU 20 1.076 5.749 -4.540 140 1HD1 LEU 20 1HD1 LEU 20 0.053 3.630 -4.377 141 2HD1 LEU 20 2HD1 LEU 20 0.792 3.607 -5.979 142 3HD1 LEU 20 3HD1 LEU 20 -0.939 3.900 -5.808 143 1HD2 LEU 20 1HD2 LEU 20 1.325 5.358 -7.136 144 2HD2 LEU 20 2HD2 LEU 20 1.309 7.002 -6.499 145 3HD2 LEU 20 3HD2 LEU 20 -0.149 6.324 -7.224 146 HA PRO 21 HA PRO 21 -3.923 10.601 -4.424 147 1HB PRO 21 2HB PRO 21 -5.436 8.574 -6.062 148 2HB PRO 21 1HB PRO 21 -5.574 10.347 -6.065 149 1HG PRO 21 2HG PRO 21 -4.219 9.149 -7.971 150 2HG PRO 21 1HG PRO 21 -3.582 10.627 -7.225 151 1HD PRO 21 2HD PRO 21 -2.676 7.797 -6.857 152 2HD PRO 21 1HD PRO 21 -1.727 9.299 -6.816 153 H LEU 22 H LEU 22 -5.232 10.574 -2.646 154 HA LEU 22 HA LEU 22 -5.337 8.467 -0.820 155 1HB LEU 22 2HB LEU 22 -5.964 10.821 -0.329 156 2HB LEU 22 1HB LEU 22 -7.469 10.586 -1.216 157 HG LEU 22 HG LEU 22 -8.040 8.715 0.344 158 1HD1 LEU 22 1HD1 LEU 22 -6.061 7.908 1.255 159 2HD1 LEU 22 2HD1 LEU 22 -6.615 8.947 2.567 160 3HD1 LEU 22 3HD1 LEU 22 -5.375 9.521 1.454 161 1HD2 LEU 22 1HD2 LEU 22 -7.496 11.473 1.470 162 2HD2 LEU 22 2HD2 LEU 22 -8.391 10.242 2.361 163 3HD2 LEU 22 3HD2 LEU 22 -9.017 10.850 0.829 164 H TRP 23 H TRP 23 -7.785 9.248 -3.309 165 HA TRP 23 HA TRP 23 -9.550 7.100 -2.547 166 1HB TRP 23 2HB TRP 23 -10.739 7.593 -4.592 167 2HB TRP 23 1HB TRP 23 -10.212 9.123 -3.889 168 HD1 TRP 23 HD TRP 23 -8.479 10.549 -5.201 169 HE1 TRP 23 1HE TRP 23 -7.414 10.347 -7.540 170 HE3 TRP 23 3HE TRP 23 -9.888 5.791 -6.403 171 HZ2 TRP 23 2HZ TRP 23 -7.190 8.421 -9.644 172 HZ3 TRP 23 3HZ TRP 23 -9.237 4.798 -8.577 173 HH2 TRP 23 HH TRP 23 -7.891 6.106 -10.198 174 H ARG 24 H ARG 24 -6.985 7.365 -5.005 175 HA ARG 24 HA ARG 24 -7.447 4.852 -6.263 176 1HB ARG 24 2HB ARG 24 -5.947 6.618 -7.166 177 2HB ARG 24 1HB ARG 24 -4.793 6.262 -5.880 178 1HG ARG 24 2HG ARG 24 -4.567 3.959 -6.677 179 2HG ARG 24 1HG ARG 24 -5.779 4.252 -7.925 180 1HD ARG 24 2HD ARG 24 -4.132 4.948 -9.287 181 2HD ARG 24 1HD ARG 24 -3.868 6.313 -8.198 182 HE ARG 24 HE ARG 24 -2.465 4.285 -6.981 183 1HH1 ARG 24 1HH2 ARG 24 -2.648 5.556 -10.179 184 2HH1 ARG 24 2HH2 ARG 24 -0.988 5.228 -10.550 185 1HH2 ARG 24 1HH1 ARG 24 -0.294 3.848 -7.444 186 2HH2 ARG 24 2HH1 ARG 24 0.345 4.261 -9.001 187 H GLN 25 H GLN 25 -5.368 5.674 -3.470 188 HA GLN 25 HA GLN 25 -4.103 3.205 -3.116 189 1HB GLN 25 2HB GLN 25 -5.181 5.068 -0.984 190 2HB GLN 25 1HB GLN 25 -4.044 3.751 -0.683 191 1HG GLN 25 2HG GLN 25 -2.393 4.767 -2.156 192 2HG GLN 25 1HG GLN 25 -3.536 6.027 -2.627 193 1HE2 GLN 25 1HE2 GLN 25 -2.072 7.690 -1.750 194 2HE2 GLN 25 2HE2 GLN 25 -1.937 7.926 -0.074 195 H GLN 26 H GLN 26 -7.394 4.125 -2.065 196 HA GLN 26 HA GLN 26 -7.946 1.607 -0.771 197 1HB GLN 26 2HB GLN 26 -9.832 3.614 -2.045 198 2HB GLN 26 1HB GLN 26 -10.340 2.259 -1.036 199 1HG GLN 26 2HG GLN 26 -9.051 3.148 0.850 200 2HG GLN 26 1HG GLN 26 -8.472 4.478 -0.152 201 1HE2 GLN 26 1HE2 GLN 26 -9.983 4.969 2.236 202 2HE2 GLN 26 2HE2 GLN 26 -11.484 5.629 1.792 203 H ASN 27 H ASN 27 -8.262 2.799 -4.074 204 HA ASN 27 HA ASN 27 -9.745 0.615 -5.163 205 1HB ASN 27 2HB ASN 27 -9.256 2.816 -6.307 206 2HB ASN 27 1HB ASN 27 -7.610 2.243 -6.577 207 1HD2 ASN 27 1HD2 ASN 27 -11.028 1.275 -7.201 208 2HD2 ASN 27 2HD2 ASN 27 -10.688 0.468 -8.655 209 H LEU 28 H LEU 28 -6.208 1.184 -5.110 210 HA LEU 28 HA LEU 28 -5.559 -1.404 -6.201 211 1HB LEU 28 2HB LEU 28 -3.808 0.363 -4.471 212 2HB LEU 28 1HB LEU 28 -3.272 -0.878 -5.601 213 HG LEU 28 HG LEU 28 -4.701 1.703 -6.301 214 1HD1 LEU 28 1HD1 LEU 28 -1.903 0.660 -6.847 215 2HD1 LEU 28 2HD1 LEU 28 -2.331 2.004 -5.790 216 3HD1 LEU 28 3HD1 LEU 28 -2.572 2.142 -7.531 217 1HD2 LEU 28 1HD2 LEU 28 -4.078 0.815 -8.681 218 2HD2 LEU 28 2HD2 LEU 28 -5.513 0.166 -7.887 219 3HD2 LEU 28 3HD2 LEU 28 -4.013 -0.762 -7.894 220 H ARG 29 H ARG 29 -6.052 -0.213 -2.911 221 HA ARG 29 HA ARG 29 -4.917 -2.574 -1.659 222 1HB ARG 29 2HB ARG 29 -6.614 -0.290 -0.652 223 2HB ARG 29 1HB ARG 29 -6.154 -1.641 0.387 224 1HG ARG 29 2HG ARG 29 -3.777 -1.208 -0.077 225 2HG ARG 29 1HG ARG 29 -4.219 0.122 -1.147 226 1HD ARG 29 2HD ARG 29 -4.926 -0.014 1.798 227 2HD ARG 29 1HD ARG 29 -3.569 0.896 1.137 228 HE ARG 29 HE ARG 29 -5.752 1.812 -0.306 229 1HH1 ARG 29 1HH2 ARG 29 -4.919 1.459 3.023 230 2HH1 ARG 29 2HH2 ARG 29 -5.863 2.819 3.538 231 1HH2 ARG 29 1HH1 ARG 29 -6.984 3.584 0.347 232 2HH2 ARG 29 2HH1 ARG 29 -7.031 4.022 2.021 233 H ARG 30 H ARG 30 -8.232 -1.572 -2.523 234 HA ARG 30 HA ARG 30 -9.466 -3.838 -1.212 235 1HB ARG 30 2HB ARG 30 -10.329 -1.675 -3.038 236 2HB ARG 30 1HB ARG 30 -11.254 -3.172 -3.165 237 1HG ARG 30 2HG ARG 30 -12.200 -1.602 -1.468 238 2HG ARG 30 1HG ARG 30 -11.704 -3.142 -0.766 239 1HD ARG 30 2HD ARG 30 -10.069 -2.181 0.481 240 2HD ARG 30 1HD ARG 30 -9.563 -1.124 -0.835 241 HE ARG 30 HE ARG 30 -11.983 -0.051 -0.028 242 1HH1 ARG 30 1HH2 ARG 30 -9.032 -0.970 1.502 243 2HH1 ARG 30 2HH2 ARG 30 -9.143 0.242 2.736 244 1HH2 ARG 30 1HH1 ARG 30 -12.142 1.533 1.570 245 2HH2 ARG 30 2HH1 ARG 30 -10.904 1.659 2.774 246 H GLU 31 H GLU 31 -8.217 -3.235 -4.469 247 HA GLU 31 HA GLU 31 -9.205 -5.546 -5.776 248 1HB GLU 31 2HB GLU 31 -6.636 -3.980 -6.084 249 2HB GLU 31 1HB GLU 31 -7.012 -5.358 -7.118 250 1HG GLU 31 2HG GLU 31 -8.867 -2.991 -6.752 251 2HG GLU 31 1HG GLU 31 -7.698 -3.119 -8.068 252 H ARG 32 H ARG 32 -6.780 -5.185 -3.316 253 HA ARG 32 HA ARG 32 -5.972 -8.036 -3.683 254 1HB ARG 32 2HB ARG 32 -4.573 -5.722 -2.320 255 2HB ARG 32 1HB ARG 32 -4.005 -7.390 -2.248 256 1HG ARG 32 2HG ARG 32 -3.875 -7.446 -4.718 257 2HG ARG 32 1HG ARG 32 -4.412 -5.766 -4.776 258 1HD ARG 32 2HD ARG 32 -2.426 -5.165 -3.341 259 2HD ARG 32 1HD ARG 32 -1.858 -6.823 -3.534 260 HE ARG 32 HE ARG 32 -2.265 -5.970 -6.134 261 1HH1 ARG 32 1HH2 ARG 32 -0.580 -4.794 -3.365 262 2HH1 ARG 32 2HH2 ARG 32 0.665 -4.018 -4.287 263 1HH2 ARG 32 1HH1 ARG 32 -0.650 -4.964 -7.354 264 2HH2 ARG 32 2HH1 ARG 32 0.624 -4.114 -6.546 265 H GLY 33 H GLY 33 -7.989 -6.138 -1.800 266 1HA GLY 33 2HA GLY 33 -9.084 -6.561 0.237 267 2HA GLY 33 1HA GLY 33 -8.621 -8.246 -0.001 268 H LEU 34 H LEU 34 -7.082 -5.144 0.946 269 HA LEU 34 HA LEU 34 -5.717 -6.663 3.128 270 1HB LEU 34 2HB LEU 34 -4.508 -4.713 1.163 271 2HB LEU 34 1HB LEU 34 -3.754 -5.048 2.722 272 HG LEU 34 HG LEU 34 -4.551 -7.295 0.877 273 1HD1 LEU 34 1HD1 LEU 34 -3.122 -6.033 -0.538 274 2HD1 LEU 34 2HD1 LEU 34 -2.061 -7.226 0.208 275 3HD1 LEU 34 3HD1 LEU 34 -2.075 -5.565 0.800 276 1HD2 LEU 34 1HD2 LEU 34 -2.490 -8.267 2.122 277 2HD2 LEU 34 2HD2 LEU 34 -3.986 -8.077 3.037 278 3HD2 LEU 34 3HD2 LEU 34 -2.686 -6.900 3.218 279 H PHE 35 H PHE 35 -7.769 -4.179 2.312 280 HA PHE 35 HA PHE 35 -7.575 -3.029 5.005 281 1HB PHE 35 2HB PHE 35 -6.995 -1.385 2.526 282 2HB PHE 35 1HB PHE 35 -7.362 -0.686 4.103 283 HD1 PHE 35 1HD PHE 35 -4.900 -2.591 2.132 284 HD2 PHE 35 2HD PHE 35 -5.796 -0.874 5.967 285 HE1 PHE 35 1HE PHE 35 -2.532 -2.875 2.812 286 HE2 PHE 35 2HE PHE 35 -3.428 -1.159 6.647 287 HZ PHE 35 HZ PHE 35 -1.796 -2.159 5.069 Start of MODEL 14 1 1H LEU 1 1HT LEU 1 3.283 -0.768 11.532 2 2H LEU 1 2HT LEU 1 1.790 0.014 11.747 3 3H LEU 1 3HT LEU 1 2.368 -0.305 10.181 4 HA LEU 1 HA LEU 1 1.448 -2.282 12.191 5 1HB LEU 1 2HB LEU 1 0.482 -1.785 9.366 6 2HB LEU 1 1HB LEU 1 -0.300 -2.746 10.622 7 HG LEU 1 HG LEU 1 0.128 0.255 10.693 8 1HD1 LEU 1 1HD1 LEU 1 -1.653 -0.594 9.132 9 2HD1 LEU 1 2HD1 LEU 1 -2.279 0.403 10.446 10 3HD1 LEU 1 3HD1 LEU 1 -2.436 -1.352 10.519 11 1HD2 LEU 1 1HD2 LEU 1 -1.473 -0.054 12.714 12 2HD2 LEU 1 2HD2 LEU 1 0.227 -0.465 12.942 13 3HD2 LEU 1 3HD2 LEU 1 -0.961 -1.742 12.677 14 H SER 2 H SER 2 0.952 -3.841 9.561 15 HA SER 2 HA SER 2 3.361 -5.424 9.704 16 1HB SER 2 2HB SER 2 2.302 -6.871 8.208 17 2HB SER 2 1HB SER 2 0.922 -6.079 8.960 18 HG SER 2 HG SER 2 1.009 -4.572 7.181 19 H ASP 3 H ASP 3 4.424 -3.021 9.238 20 HA ASP 3 HA ASP 3 4.655 -2.096 6.579 21 1HB ASP 3 2HB ASP 3 6.748 -2.142 8.776 22 2HB ASP 3 1HB ASP 3 6.877 -1.200 7.290 23 H GLU 4 H GLU 4 6.201 -4.812 8.206 24 HA GLU 4 HA GLU 4 8.132 -5.371 6.139 25 1HB GLU 4 2HB GLU 4 8.125 -6.290 8.524 26 2HB GLU 4 1HB GLU 4 6.864 -7.403 7.991 27 1HG GLU 4 2HG GLU 4 8.385 -8.211 6.188 28 2HG GLU 4 1HG GLU 4 9.655 -7.166 6.828 29 H ASP 5 H ASP 5 4.955 -6.835 6.897 30 HA ASP 5 HA ASP 5 4.878 -8.452 4.519 31 1HB ASP 5 2HB ASP 5 3.458 -8.700 6.650 32 2HB ASP 5 1HB ASP 5 2.452 -7.410 5.990 33 H PHE 6 H PHE 6 3.575 -5.242 5.316 34 HA PHE 6 HA PHE 6 2.132 -4.746 2.942 35 1HB PHE 6 2HB PHE 6 2.083 -3.229 4.878 36 2HB PHE 6 1HB PHE 6 3.769 -2.797 4.594 37 HD1 PHE 6 1HD PHE 6 0.310 -2.454 3.381 38 HD2 PHE 6 2HD PHE 6 4.420 -1.409 2.688 39 HE1 PHE 6 1HE PHE 6 -0.405 -0.715 1.764 40 HE2 PHE 6 2HE PHE 6 3.703 0.331 1.072 41 HZ PHE 6 HZ PHE 6 1.292 0.677 0.610 42 H ARG 7 H ARG 7 5.493 -3.694 3.619 43 HA ARG 7 HA ARG 7 6.128 -2.711 1.086 44 1HB ARG 7 2HB ARG 7 7.630 -2.580 3.056 45 2HB ARG 7 1HB ARG 7 7.968 -4.304 2.901 46 1HG ARG 7 2HG ARG 7 8.934 -3.959 0.690 47 2HG ARG 7 1HG ARG 7 8.496 -2.251 0.734 48 1HD ARG 7 2HD ARG 7 10.815 -2.379 1.342 49 2HD ARG 7 1HD ARG 7 9.921 -2.050 2.824 50 HE ARG 7 HE ARG 7 10.091 -4.823 2.730 51 1HH1 ARG 7 1HH2 ARG 7 12.277 -2.162 2.570 52 2HH1 ARG 7 2HH2 ARG 7 13.591 -3.028 3.294 53 1HH2 ARG 7 1HH1 ARG 7 11.791 -5.967 3.675 54 2HH2 ARG 7 2HH1 ARG 7 13.316 -5.183 3.920 55 H ALA 8 H ALA 8 6.016 -6.080 2.147 56 HA ALA 8 HA ALA 8 7.240 -7.182 -0.219 57 1HB ALA 8 1HB ALA 8 6.472 -9.309 0.594 58 2HB ALA 8 2HB ALA 8 5.230 -8.549 1.591 59 3HB ALA 8 3HB ALA 8 6.934 -8.360 2.007 60 H VAL 9 H VAL 9 3.973 -6.154 0.553 61 HA VAL 9 HA VAL 9 2.771 -7.584 -1.689 62 HB VAL 9 HB VAL 9 1.714 -5.407 0.128 63 1HG1 VAL 9 1HG1 VAL 9 0.468 -5.210 -1.893 64 2HG1 VAL 9 2HG1 VAL 9 -0.521 -6.221 -0.840 65 3HG1 VAL 9 3HG1 VAL 9 0.433 -6.957 -2.129 66 1HG2 VAL 9 1HG2 VAL 9 1.100 -8.375 -0.044 67 2HG2 VAL 9 2HG2 VAL 9 0.465 -7.242 1.149 68 3HG2 VAL 9 3HG2 VAL 9 2.181 -7.648 1.145 69 1HN PF5 10 H PF5 10 3.480 -4.114 -1.058 70 HA PF5 10 HA PF5 10 2.934 -3.618 -3.942 71 1HB PF5 10 1HB PF5 10 2.713 -1.284 -3.337 72 2HB PF5 10 2HB PF5 10 3.354 -1.603 -1.719 73 H GLY 11 H GLY 11 5.551 -4.117 -1.863 74 1HA GLY 11 2HA GLY 11 7.855 -4.049 -2.363 75 2HA GLY 11 1HA GLY 11 7.439 -3.452 -3.970 76 H MET 12 H MET 12 6.158 -1.795 -1.196 77 HA MET 12 HA MET 12 8.326 0.193 -1.168 78 1HB MET 12 2HB MET 12 7.018 0.956 -3.088 79 2HB MET 12 1HB MET 12 5.537 0.891 -2.132 80 1HG MET 12 2HG MET 12 6.275 2.666 -0.701 81 2HG MET 12 1HG MET 12 7.910 2.599 -1.357 82 1HE MET 12 1HE MET 12 4.584 2.353 -3.699 83 2HE MET 12 2HE MET 12 4.085 4.016 -3.401 84 3HE MET 12 3HE MET 12 4.284 2.907 -2.047 85 H THR 13 H THR 13 7.985 1.795 0.571 86 HA THR 13 HA THR 13 6.722 0.570 2.891 87 HB THR 13 HB THR 13 7.387 2.856 3.931 88 HG1 THR 13 1HG THR 13 9.175 3.122 1.856 89 1HG2 THR 13 1HG2 THR 13 9.729 2.152 4.079 90 2HG2 THR 13 2HG2 THR 13 9.515 1.095 2.683 91 3HG2 THR 13 3HG2 THR 13 8.668 0.749 4.191 92 H ARG 14 H ARG 14 4.947 1.475 4.096 93 HA ARG 14 HA ARG 14 2.764 2.423 2.532 94 1HB ARG 14 2HB ARG 14 3.210 2.646 5.524 95 2HB ARG 14 1HB ARG 14 1.665 2.884 4.707 96 1HG ARG 14 2HG ARG 14 1.888 0.547 3.778 97 2HG ARG 14 1HG ARG 14 3.298 0.332 4.816 98 1HD ARG 14 2HD ARG 14 0.489 0.991 5.761 99 2HD ARG 14 1HD ARG 14 1.299 -0.560 5.929 100 HE ARG 14 HE ARG 14 3.030 1.230 7.151 101 1HH1 ARG 14 1HH2 ARG 14 -0.337 0.491 7.393 102 2HH1 ARG 14 2HH2 ARG 14 -0.426 0.853 9.085 103 1HH2 ARG 14 1HH1 ARG 14 2.922 1.712 9.355 104 2HH2 ARG 14 2HH1 ARG 14 1.416 1.542 10.192 105 H SER 15 H SER 15 5.345 4.126 4.194 106 HA SER 15 HA SER 15 4.134 6.689 4.423 107 1HB SER 15 2HB SER 15 6.383 7.576 4.551 108 2HB SER 15 1HB SER 15 6.370 6.022 5.380 109 HG SER 15 HG SER 15 6.877 5.402 2.941 110 H ALA 16 H ALA 16 6.094 5.327 1.761 111 HA ALA 16 HA ALA 16 5.630 7.629 0.047 112 1HB ALA 16 1HB ALA 16 7.626 6.341 -0.338 113 2HB ALA 16 2HB ALA 16 6.576 6.081 -1.731 114 3HB ALA 16 3HB ALA 16 6.702 4.846 -0.479 115 H PHE 17 H PHE 17 4.061 4.540 0.613 116 HA PHE 17 HA PHE 17 2.483 4.363 -1.739 117 1HB PHE 17 2HB PHE 17 2.706 2.673 0.201 118 2HB PHE 17 1HB PHE 17 1.451 3.619 1.000 119 HD1 PHE 17 1HD PHE 17 2.232 1.791 -2.163 120 HD2 PHE 17 2HD PHE 17 -0.825 3.337 0.429 121 HE1 PHE 17 1HE PHE 17 0.501 0.642 -3.518 122 HE2 PHE 17 2HE PHE 17 -2.554 2.188 -0.926 123 HZ PHE 17 HZ PHE 17 -1.892 0.840 -2.899 124 H ALA 18 H ALA 18 2.024 6.240 1.229 125 HA ALA 18 HA ALA 18 -0.641 7.122 0.717 126 1HB ALA 18 1HB ALA 18 1.663 8.400 2.212 127 2HB ALA 18 2HB ALA 18 0.298 7.516 2.893 128 3HB ALA 18 3HB ALA 18 0.047 9.103 2.164 129 H ASN 19 H ASN 19 2.294 7.808 -0.889 130 HA ASN 19 HA ASN 19 1.816 10.485 -1.771 131 1HB ASN 19 2HB ASN 19 3.288 8.254 -3.207 132 2HB ASN 19 1HB ASN 19 3.445 9.980 -3.538 133 1HD2 ASN 19 1HD2 ASN 19 2.985 9.717 -0.240 134 2HD2 ASN 19 2HD2 ASN 19 4.607 9.687 0.260 135 H LEU 20 H LEU 20 0.678 7.364 -2.977 136 HA LEU 20 HA LEU 20 -0.350 8.331 -5.489 137 1HB LEU 20 2HB LEU 20 -1.393 5.994 -3.866 138 2HB LEU 20 1HB LEU 20 -1.526 6.225 -5.610 139 HG LEU 20 HG LEU 20 1.083 5.909 -4.095 140 1HD1 LEU 20 1HD1 LEU 20 1.091 3.730 -5.489 141 2HD1 LEU 20 2HD1 LEU 20 -0.642 3.996 -5.671 142 3HD1 LEU 20 3HD1 LEU 20 0.054 3.780 -4.064 143 1HD2 LEU 20 1HD2 LEU 20 0.347 6.340 -6.987 144 2HD2 LEU 20 2HD2 LEU 20 1.836 5.497 -6.561 145 3HD2 LEU 20 3HD2 LEU 20 1.580 7.159 -6.029 146 HA PRO 21 HA PRO 21 -4.009 10.617 -4.559 147 1HB PRO 21 2HB PRO 21 -5.379 8.527 -6.242 148 2HB PRO 21 1HB PRO 21 -5.567 10.294 -6.276 149 1HG PRO 21 2HG PRO 21 -4.090 9.112 -8.099 150 2HG PRO 21 1HG PRO 21 -3.531 10.618 -7.345 151 1HD PRO 21 2HD PRO 21 -2.564 7.821 -6.890 152 2HD PRO 21 1HD PRO 21 -1.659 9.348 -6.835 153 H LEU 22 H LEU 22 -5.355 10.559 -2.817 154 HA LEU 22 HA LEU 22 -5.497 8.480 -0.980 155 1HB LEU 22 2HB LEU 22 -6.384 10.965 -0.915 156 2HB LEU 22 1HB LEU 22 -7.916 10.210 -1.352 157 HG LEU 22 HG LEU 22 -6.201 9.412 1.019 158 1HD1 LEU 22 1HD1 LEU 22 -8.862 10.863 0.959 159 2HD1 LEU 22 2HD1 LEU 22 -7.310 11.659 1.212 160 3HD1 LEU 22 3HD1 LEU 22 -7.899 10.482 2.386 161 1HD2 LEU 22 1HD2 LEU 22 -7.406 7.489 0.426 162 2HD2 LEU 22 2HD2 LEU 22 -8.783 8.418 -0.164 163 3HD2 LEU 22 3HD2 LEU 22 -8.497 8.272 1.570 164 H TRP 23 H TRP 23 -8.053 9.206 -3.398 165 HA TRP 23 HA TRP 23 -9.666 6.953 -2.763 166 1HB TRP 23 2HB TRP 23 -10.788 7.359 -4.865 167 2HB TRP 23 1HB TRP 23 -10.356 8.922 -4.170 168 HD1 TRP 23 HD TRP 23 -8.608 10.390 -5.423 169 HE1 TRP 23 1HE TRP 23 -7.444 10.196 -7.717 170 HE3 TRP 23 3HE TRP 23 -9.816 5.575 -6.620 171 HZ2 TRP 23 2HZ TRP 23 -7.076 8.254 -9.784 172 HZ3 TRP 23 3HZ TRP 23 -9.047 4.580 -8.755 173 HH2 TRP 23 HH TRP 23 -7.680 5.911 -10.337 174 H ARG 24 H ARG 24 -7.039 7.295 -5.151 175 HA ARG 24 HA ARG 24 -7.337 4.740 -6.364 176 1HB ARG 24 2HB ARG 24 -5.892 6.550 -7.261 177 2HB ARG 24 1HB ARG 24 -4.769 6.288 -5.927 178 1HG ARG 24 2HG ARG 24 -4.387 3.986 -6.652 179 2HG ARG 24 1HG ARG 24 -5.576 4.172 -7.942 180 1HD ARG 24 2HD ARG 24 -3.946 4.945 -9.282 181 2HD ARG 24 1HD ARG 24 -3.759 6.330 -8.203 182 HE ARG 24 HE ARG 24 -2.301 4.365 -6.941 183 1HH1 ARG 24 1HH2 ARG 24 -2.465 5.625 -10.144 184 2HH1 ARG 24 2HH2 ARG 24 -0.785 5.368 -10.475 185 1HH2 ARG 24 1HH1 ARG 24 -0.104 4.022 -7.353 186 2HH2 ARG 24 2HH1 ARG 24 0.552 4.461 -8.895 187 H GLN 25 H GLN 25 -5.375 5.708 -3.532 188 HA GLN 25 HA GLN 25 -4.019 3.302 -3.090 189 1HB GLN 25 2HB GLN 25 -5.223 5.186 -1.048 190 2HB GLN 25 1HB GLN 25 -4.080 3.899 -0.658 191 1HG GLN 25 2HG GLN 25 -2.390 4.898 -2.113 192 2HG GLN 25 1HG GLN 25 -3.533 6.138 -2.633 193 1HE2 GLN 25 1HE2 GLN 25 -2.353 7.931 -1.734 194 2HE2 GLN 25 2HE2 GLN 25 -2.168 8.149 -0.062 195 H GLN 26 H GLN 26 -7.371 4.108 -2.133 196 HA GLN 26 HA GLN 26 -7.852 1.579 -0.827 197 1HB GLN 26 2HB GLN 26 -9.784 3.510 -2.146 198 2HB GLN 26 1HB GLN 26 -10.264 2.141 -1.145 199 1HG GLN 26 2HG GLN 26 -9.034 3.080 0.764 200 2HG GLN 26 1HG GLN 26 -8.506 4.437 -0.233 201 1HE2 GLN 26 1HE2 GLN 26 -10.002 4.996 2.079 202 2HE2 GLN 26 2HE2 GLN 26 -11.554 5.525 1.639 203 H ASN 27 H ASN 27 -8.187 2.747 -4.140 204 HA ASN 27 HA ASN 27 -9.535 0.503 -5.255 205 1HB ASN 27 2HB ASN 27 -9.041 2.737 -6.378 206 2HB ASN 27 1HB ASN 27 -7.403 2.144 -6.650 207 1HD2 ASN 27 1HD2 ASN 27 -7.156 1.200 -8.674 208 2HD2 ASN 27 2HD2 ASN 27 -8.377 0.391 -9.532 209 H LEU 28 H LEU 28 -6.022 1.191 -5.104 210 HA LEU 28 HA LEU 28 -5.264 -1.410 -6.102 211 1HB LEU 28 2HB LEU 28 -3.602 0.464 -4.398 212 2HB LEU 28 1HB LEU 28 -3.011 -0.783 -5.494 213 HG LEU 28 HG LEU 28 -4.508 1.738 -6.265 214 1HD1 LEU 28 1HD1 LEU 28 -2.185 2.189 -5.789 215 2HD1 LEU 28 2HD1 LEU 28 -2.356 2.129 -7.544 216 3HD1 LEU 28 3HD1 LEU 28 -1.670 0.754 -6.677 217 1HD2 LEU 28 1HD2 LEU 28 -3.733 -0.737 -7.805 218 2HD2 LEU 28 2HD2 LEU 28 -3.855 0.821 -8.621 219 3HD2 LEU 28 3HD2 LEU 28 -5.266 0.134 -7.816 220 H ARG 29 H ARG 29 -5.838 -0.106 -2.865 221 HA ARG 29 HA ARG 29 -4.745 -2.496 -1.572 222 1HB ARG 29 2HB ARG 29 -6.208 -0.064 -0.534 223 2HB ARG 29 1HB ARG 29 -5.720 -1.401 0.508 224 1HG ARG 29 2HG ARG 29 -3.368 -1.109 -0.283 225 2HG ARG 29 1HG ARG 29 -3.888 0.300 -1.207 226 1HD ARG 29 2HD ARG 29 -4.171 -0.010 1.796 227 2HD ARG 29 1HD ARG 29 -2.931 0.945 0.988 228 HE ARG 29 HE ARG 29 -5.309 1.939 -0.034 229 1HH1 ARG 29 1HH2 ARG 29 -3.965 1.382 3.096 230 2HH1 ARG 29 2HH2 ARG 29 -4.808 2.702 3.835 231 1HH2 ARG 29 1HH1 ARG 29 -6.413 3.660 0.913 232 2HH2 ARG 29 2HH1 ARG 29 -6.195 3.992 2.599 233 H ARG 30 H ARG 30 -8.042 -1.117 -1.978 234 HA ARG 30 HA ARG 30 -9.393 -3.245 -0.653 235 1HB ARG 30 2HB ARG 30 -10.435 -1.065 -1.379 236 2HB ARG 30 1HB ARG 30 -10.450 -1.688 -3.031 237 1HG ARG 30 2HG ARG 30 -11.838 -3.585 -2.326 238 2HG ARG 30 1HG ARG 30 -11.786 -3.020 -0.656 239 1HD ARG 30 2HD ARG 30 -12.996 -1.532 -3.003 240 2HD ARG 30 1HD ARG 30 -13.885 -2.315 -1.699 241 HE ARG 30 HE ARG 30 -12.700 0.301 -1.566 242 1HH1 ARG 30 1HH2 ARG 30 -13.215 -2.618 0.196 243 2HH1 ARG 30 2HH2 ARG 30 -13.184 -1.844 1.745 244 1HH2 ARG 30 1HH1 ARG 30 -12.658 1.327 0.442 245 2HH2 ARG 30 2HH1 ARG 30 -12.869 0.391 1.884 246 H GLU 31 H GLU 31 -8.480 -2.854 -4.078 247 HA GLU 31 HA GLU 31 -9.604 -5.296 -5.030 248 1HB GLU 31 2HB GLU 31 -8.524 -3.357 -6.368 249 2HB GLU 31 1HB GLU 31 -6.989 -4.157 -6.034 250 1HG GLU 31 2HG GLU 31 -9.326 -5.650 -7.228 251 2HG GLU 31 1HG GLU 31 -8.171 -4.776 -8.235 252 H ARG 32 H ARG 32 -6.832 -4.638 -3.057 253 HA ARG 32 HA ARG 32 -5.498 -7.177 -3.605 254 1HB ARG 32 2HB ARG 32 -4.409 -4.975 -2.827 255 2HB ARG 32 1HB ARG 32 -4.995 -5.404 -1.220 256 1HG ARG 32 2HG ARG 32 -2.915 -6.419 -1.164 257 2HG ARG 32 1HG ARG 32 -3.880 -7.743 -1.818 258 1HD ARG 32 2HD ARG 32 -3.301 -6.838 -4.136 259 2HD ARG 32 1HD ARG 32 -2.111 -5.815 -3.333 260 HE ARG 32 HE ARG 32 -1.556 -8.366 -2.389 261 1HH1 ARG 32 1HH2 ARG 32 -1.929 -6.851 -5.463 262 2HH1 ARG 32 2HH2 ARG 32 -0.798 -7.891 -6.262 263 1HH2 ARG 32 1HH1 ARG 32 -0.077 -9.732 -3.414 264 2HH2 ARG 32 2HH1 ARG 32 0.251 -9.522 -5.101 265 H GLY 33 H GLY 33 -7.986 -6.092 -1.423 266 1HA GLY 33 2HA GLY 33 -9.376 -7.658 -0.212 267 2HA GLY 33 1HA GLY 33 -8.059 -8.830 -0.274 268 H LEU 34 H LEU 34 -6.518 -6.076 0.521 269 HA LEU 34 HA LEU 34 -6.498 -6.798 3.384 270 1HB LEU 34 2HB LEU 34 -4.903 -4.666 1.933 271 2HB LEU 34 1HB LEU 34 -4.588 -5.299 3.548 272 HG LEU 34 HG LEU 34 -4.518 -6.930 0.992 273 1HD1 LEU 34 1HD1 LEU 34 -2.142 -6.876 1.165 274 2HD1 LEU 34 2HD1 LEU 34 -2.201 -6.182 2.785 275 3HD1 LEU 34 3HD1 LEU 34 -2.659 -5.204 1.391 276 1HD2 LEU 34 1HD2 LEU 34 -5.065 -8.457 2.680 277 2HD2 LEU 34 2HD2 LEU 34 -4.183 -7.559 3.915 278 3HD2 LEU 34 3HD2 LEU 34 -3.303 -8.503 2.712 279 H PHE 35 H PHE 35 -8.265 -4.736 1.429 280 HA PHE 35 HA PHE 35 -9.305 -3.302 3.764 281 1HB PHE 35 2HB PHE 35 -7.736 -1.914 1.589 282 2HB PHE 35 1HB PHE 35 -8.939 -1.057 2.552 283 HD1 PHE 35 1HD PHE 35 -5.623 -2.596 2.530 284 HD2 PHE 35 2HD PHE 35 -8.657 -0.841 5.012 285 HE1 PHE 35 1HE PHE 35 -3.974 -2.340 4.364 286 HE2 PHE 35 2HE PHE 35 -7.008 -0.584 6.847 287 HZ PHE 35 HZ PHE 35 -4.666 -1.334 6.523 Start of MODEL 15 1 1H LEU 1 1HT LEU 1 2.775 -1.429 10.715 2 2H LEU 1 2HT LEU 1 1.664 -0.583 11.684 3 3H LEU 1 3HT LEU 1 1.792 -0.231 10.026 4 HA LEU 1 HA LEU 1 0.652 -2.642 11.305 5 1HB LEU 1 2HB LEU 1 -0.805 -0.653 10.908 6 2HB LEU 1 1HB LEU 1 -0.403 -0.738 9.193 7 HG LEU 1 HG LEU 1 -1.285 -3.089 9.164 8 1HD1 LEU 1 1HD1 LEU 1 -1.783 -2.364 12.031 9 2HD1 LEU 1 2HD1 LEU 1 -1.228 -3.891 11.345 10 3HD1 LEU 1 3HD1 LEU 1 -2.925 -3.431 11.214 11 1HD2 LEU 1 1HD2 LEU 1 -3.193 -0.916 10.090 12 2HD2 LEU 1 2HD2 LEU 1 -3.677 -2.409 9.285 13 3HD2 LEU 1 3HD2 LEU 1 -2.697 -1.221 8.426 14 H SER 2 H SER 2 1.457 -4.473 10.394 15 HA SER 2 HA SER 2 2.387 -5.906 8.772 16 1HB SER 2 2HB SER 2 0.178 -4.443 7.329 17 2HB SER 2 1HB SER 2 1.131 -5.683 6.519 18 HG SER 2 HG SER 2 -0.936 -6.133 7.927 19 H ASP 3 H ASP 3 3.728 -3.296 9.130 20 HA ASP 3 HA ASP 3 4.433 -2.069 6.679 21 1HB ASP 3 2HB ASP 3 6.158 -2.532 9.134 22 2HB ASP 3 1HB ASP 3 6.530 -1.399 7.834 23 H GLU 4 H GLU 4 5.509 -5.079 8.145 24 HA GLU 4 HA GLU 4 7.680 -5.495 6.241 25 1HB GLU 4 2HB GLU 4 7.507 -6.535 8.570 26 2HB GLU 4 1HB GLU 4 6.283 -7.610 7.894 27 1HG GLU 4 2HG GLU 4 7.922 -8.333 6.160 28 2HG GLU 4 1HG GLU 4 9.147 -7.330 6.938 29 H ASP 5 H ASP 5 4.518 -7.102 6.735 30 HA ASP 5 HA ASP 5 4.572 -8.504 4.235 31 1HB ASP 5 2HB ASP 5 3.069 -9.122 6.109 32 2HB ASP 5 1HB ASP 5 2.175 -7.619 5.874 33 H PHE 6 H PHE 6 3.269 -5.349 5.200 34 HA PHE 6 HA PHE 6 1.908 -4.694 2.802 35 1HB PHE 6 2HB PHE 6 1.745 -3.325 4.836 36 2HB PHE 6 1HB PHE 6 3.443 -2.872 4.682 37 HD1 PHE 6 1HD PHE 6 0.048 -2.275 3.508 38 HD2 PHE 6 2HD PHE 6 4.202 -1.506 2.724 39 HE1 PHE 6 1HE PHE 6 -0.581 -0.418 1.991 40 HE2 PHE 6 2HE PHE 6 3.571 0.352 1.206 41 HZ PHE 6 HZ PHE 6 1.178 0.896 0.840 42 H ARG 7 H ARG 7 5.221 -3.678 3.725 43 HA ARG 7 HA ARG 7 5.969 -2.522 1.293 44 1HB ARG 7 2HB ARG 7 7.328 -2.558 3.415 45 2HB ARG 7 1HB ARG 7 7.794 -4.214 3.026 46 1HG ARG 7 2HG ARG 7 8.741 -3.435 0.877 47 2HG ARG 7 1HG ARG 7 8.298 -1.779 1.289 48 1HD ARG 7 2HD ARG 7 9.683 -2.667 3.532 49 2HD ARG 7 1HD ARG 7 10.581 -3.364 2.187 50 HE ARG 7 HE ARG 7 10.747 -0.662 2.929 51 1HH1 ARG 7 1HH2 ARG 7 9.921 -2.543 0.161 52 2HH1 ARG 7 2HH2 ARG 7 10.466 -1.352 -0.973 53 1HH2 ARG 7 1HH1 ARG 7 11.461 0.901 1.467 54 2HH2 ARG 7 2HH1 ARG 7 11.339 0.598 -0.234 55 H ALA 8 H ALA 8 5.930 -5.954 2.165 56 HA ALA 8 HA ALA 8 7.285 -6.903 -0.180 57 1HB ALA 8 1HB ALA 8 5.183 -8.334 1.471 58 2HB ALA 8 2HB ALA 8 6.894 -8.255 1.891 59 3HB ALA 8 3HB ALA 8 6.382 -9.086 0.421 60 H VAL 9 H VAL 9 3.935 -6.006 0.436 61 HA VAL 9 HA VAL 9 2.858 -7.293 -1.913 62 HB VAL 9 HB VAL 9 1.807 -5.026 -0.203 63 1HG1 VAL 9 1HG1 VAL 9 -0.394 -5.693 -1.325 64 2HG1 VAL 9 2HG1 VAL 9 0.587 -6.540 -2.522 65 3HG1 VAL 9 3HG1 VAL 9 0.742 -4.793 -2.329 66 1HG2 VAL 9 1HG2 VAL 9 0.492 -6.705 0.862 67 2HG2 VAL 9 2HG2 VAL 9 2.108 -7.398 0.745 68 3HG2 VAL 9 3HG2 VAL 9 0.853 -7.891 -0.391 69 1HN PF5 10 H PF5 10 3.773 -3.875 -1.274 70 HA PF5 10 HA PF5 10 3.515 -3.414 -4.209 71 1HB PF5 10 1HB PF5 10 3.271 -1.081 -3.695 72 2HB PF5 10 2HB PF5 10 3.807 -1.334 -2.029 73 H GLY 11 H GLY 11 5.854 -3.744 -1.714 74 1HA GLY 11 2HA GLY 11 8.205 -3.892 -2.048 75 2HA GLY 11 1HA GLY 11 7.986 -3.242 -3.673 76 H MET 12 H MET 12 6.418 -1.525 -1.130 77 HA MET 12 HA MET 12 8.688 0.337 -0.780 78 1HB MET 12 2HB MET 12 7.499 2.271 -1.569 79 2HB MET 12 1HB MET 12 7.382 1.053 -2.840 80 1HG MET 12 2HG MET 12 5.186 0.411 -1.397 81 2HG MET 12 1HG MET 12 5.267 2.141 -1.061 82 1HE MET 12 1HE MET 12 5.128 3.981 -2.655 83 2HE MET 12 2HE MET 12 5.069 3.870 -4.412 84 3HE MET 12 3HE MET 12 6.545 3.427 -3.559 85 H THR 13 H THR 13 8.262 1.890 0.976 86 HA THR 13 HA THR 13 6.774 0.665 3.146 87 HB THR 13 HB THR 13 7.357 2.933 4.273 88 HG1 THR 13 1HG THR 13 7.721 3.831 2.070 89 1HG2 THR 13 1HG2 THR 13 9.674 2.212 4.614 90 2HG2 THR 13 2HG2 THR 13 9.577 1.177 3.190 91 3HG2 THR 13 3HG2 THR 13 8.600 0.814 4.613 92 H ARG 14 H ARG 14 4.939 1.626 4.249 93 HA ARG 14 HA ARG 14 2.827 2.475 2.584 94 1HB ARG 14 2HB ARG 14 3.229 3.013 5.542 95 2HB ARG 14 1HB ARG 14 1.702 3.203 4.679 96 1HG ARG 14 2HG ARG 14 1.981 0.754 3.963 97 2HG ARG 14 1HG ARG 14 3.248 0.654 5.186 98 1HD ARG 14 2HD ARG 14 1.215 -0.057 6.263 99 2HD ARG 14 1HD ARG 14 1.560 1.561 6.857 100 HE ARG 14 HE ARG 14 -0.076 1.961 4.635 101 1HH1 ARG 14 1HH2 ARG 14 -0.215 0.121 7.557 102 2HH1 ARG 14 2HH2 ARG 14 -1.935 0.256 7.712 103 1HH2 ARG 14 1HH1 ARG 14 -2.321 2.137 4.827 104 2HH2 ARG 14 2HH1 ARG 14 -3.124 1.397 6.171 105 H SER 15 H SER 15 5.383 4.344 4.107 106 HA SER 15 HA SER 15 4.177 6.926 3.947 107 1HB SER 15 2HB SER 15 7.113 6.258 3.583 108 2HB SER 15 1HB SER 15 6.441 7.815 4.060 109 HG SER 15 HG SER 15 5.717 5.574 5.552 110 H ALA 16 H ALA 16 6.140 5.104 1.598 111 HA ALA 16 HA ALA 16 5.970 7.182 -0.428 112 1HB ALA 16 1HB ALA 16 6.893 5.433 -1.931 113 2HB ALA 16 2HB ALA 16 6.679 4.240 -0.651 114 3HB ALA 16 3HB ALA 16 7.820 5.568 -0.437 115 H PHE 17 H PHE 17 4.287 4.100 0.178 116 HA PHE 17 HA PHE 17 2.657 4.099 -2.150 117 1HB PHE 17 2HB PHE 17 2.915 2.236 -0.415 118 2HB PHE 17 1HB PHE 17 1.756 3.127 0.571 119 HD1 PHE 17 1HD PHE 17 2.212 1.734 -2.876 120 HD2 PHE 17 2HD PHE 17 -0.546 2.829 0.229 121 HE1 PHE 17 1HE PHE 17 0.346 0.765 -4.192 122 HE2 PHE 17 2HE PHE 17 -2.412 1.862 -1.088 123 HZ PHE 17 HZ PHE 17 -1.966 0.830 -3.297 124 H ALA 18 H ALA 18 2.259 5.719 0.975 125 HA ALA 18 HA ALA 18 -0.408 6.626 0.656 126 1HB ALA 18 1HB ALA 18 1.903 8.102 1.958 127 2HB ALA 18 2HB ALA 18 0.915 6.874 2.750 128 3HB ALA 18 3HB ALA 18 0.188 8.399 2.244 129 H ASN 19 H ASN 19 2.431 7.449 -1.076 130 HA ASN 19 HA ASN 19 1.887 10.136 -1.831 131 1HB ASN 19 2HB ASN 19 3.999 8.774 -2.285 132 2HB ASN 19 1HB ASN 19 3.128 8.054 -3.640 133 1HD2 ASN 19 1HD2 ASN 19 4.882 9.192 -4.970 134 2HD2 ASN 19 2HD2 ASN 19 4.639 10.821 -5.375 135 H LEU 20 H LEU 20 0.567 7.088 -3.020 136 HA LEU 20 HA LEU 20 -0.651 8.173 -5.405 137 1HB LEU 20 2HB LEU 20 -1.471 5.751 -3.771 138 2HB LEU 20 1HB LEU 20 -1.936 6.085 -5.440 139 HG LEU 20 HG LEU 20 0.918 5.716 -4.480 140 1HD1 LEU 20 1HD1 LEU 20 0.658 3.608 -5.956 141 2HD1 LEU 20 2HD1 LEU 20 -1.079 3.862 -5.778 142 3HD1 LEU 20 3HD1 LEU 20 -0.078 3.575 -4.354 143 1HD2 LEU 20 1HD2 LEU 20 1.084 7.029 -6.406 144 2HD2 LEU 20 2HD2 LEU 20 -0.377 6.346 -7.118 145 3HD2 LEU 20 3HD2 LEU 20 1.114 5.404 -7.091 146 HA PRO 21 HA PRO 21 -4.185 10.446 -4.059 147 1HB PRO 21 2HB PRO 21 -5.722 8.432 -5.690 148 2HB PRO 21 1HB PRO 21 -5.900 10.200 -5.635 149 1HG PRO 21 2HG PRO 21 -4.606 9.089 -7.633 150 2HG PRO 21 1HG PRO 21 -3.967 10.559 -6.871 151 1HD PRO 21 2HD PRO 21 -2.986 7.741 -6.626 152 2HD PRO 21 1HD PRO 21 -2.067 9.262 -6.587 153 H LEU 22 H LEU 22 -5.445 10.335 -2.246 154 HA LEU 22 HA LEU 22 -5.411 8.159 -0.484 155 1HB LEU 22 2HB LEU 22 -6.039 10.490 0.121 156 2HB LEU 22 1HB LEU 22 -7.587 10.260 -0.693 157 HG LEU 22 HG LEU 22 -8.037 8.322 0.831 158 1HD1 LEU 22 1HD1 LEU 22 -5.991 7.540 1.612 159 2HD1 LEU 22 2HD1 LEU 22 -6.510 8.516 2.986 160 3HD1 LEU 22 3HD1 LEU 22 -5.340 9.164 1.836 161 1HD2 LEU 22 1HD2 LEU 22 -7.416 10.928 2.258 162 2HD2 LEU 22 2HD2 LEU 22 -8.570 9.701 2.781 163 3HD2 LEU 22 3HD2 LEU 22 -8.873 10.626 1.310 164 H TRP 23 H TRP 23 -7.967 8.990 -2.842 165 HA TRP 23 HA TRP 23 -9.670 6.790 -2.066 166 1HB TRP 23 2HB TRP 23 -10.985 7.358 -4.007 167 2HB TRP 23 1HB TRP 23 -10.425 8.865 -3.281 168 HD1 TRP 23 HD TRP 23 -8.814 10.366 -4.653 169 HE1 TRP 23 1HE TRP 23 -7.883 10.257 -7.054 170 HE3 TRP 23 3HE TRP 23 -10.195 5.616 -5.918 171 HZ2 TRP 23 2HZ TRP 23 -7.743 8.399 -9.225 172 HZ3 TRP 23 3HZ TRP 23 -9.652 4.702 -8.156 173 HH2 TRP 23 HH TRP 23 -8.428 6.086 -9.809 174 H ARG 24 H ARG 24 -7.233 7.199 -4.625 175 HA ARG 24 HA ARG 24 -7.734 4.753 -5.990 176 1HB ARG 24 2HB ARG 24 -6.284 6.560 -6.875 177 2HB ARG 24 1HB ARG 24 -5.080 6.175 -5.643 178 1HG ARG 24 2HG ARG 24 -4.842 3.910 -6.536 179 2HG ARG 24 1HG ARG 24 -6.106 4.224 -7.726 180 1HD ARG 24 2HD ARG 24 -4.525 5.004 -9.122 181 2HD ARG 24 1HD ARG 24 -4.243 6.331 -7.992 182 HE ARG 24 HE ARG 24 -2.762 4.274 -6.912 183 1HH1 ARG 24 1HH2 ARG 24 -3.080 5.697 -10.035 184 2HH1 ARG 24 2HH2 ARG 24 -1.427 5.420 -10.476 185 1HH2 ARG 24 1HH1 ARG 24 -0.601 3.906 -7.469 186 2HH2 ARG 24 2HH1 ARG 24 -0.024 4.408 -9.023 187 H GLN 25 H GLN 25 -5.542 5.441 -3.247 188 HA GLN 25 HA GLN 25 -4.256 2.960 -3.079 189 1HB GLN 25 2HB GLN 25 -5.227 4.742 -0.831 190 2HB GLN 25 1HB GLN 25 -4.123 3.382 -0.610 191 1HG GLN 25 2HG GLN 25 -2.541 4.420 -2.221 192 2HG GLN 25 1HG GLN 25 -3.629 5.801 -2.377 193 1HE2 GLN 25 1HE2 GLN 25 -1.981 3.928 0.234 194 2HE2 GLN 25 2HE2 GLN 25 -1.647 5.286 1.196 195 H GLN 26 H GLN 26 -7.496 3.816 -1.829 196 HA GLN 26 HA GLN 26 -8.010 1.272 -0.606 197 1HB GLN 26 2HB GLN 26 -9.930 3.269 -1.843 198 2HB GLN 26 1HB GLN 26 -10.421 1.888 -0.863 199 1HG GLN 26 2HG GLN 26 -9.135 2.753 1.040 200 2HG GLN 26 1HG GLN 26 -8.587 4.117 0.065 201 1HE2 GLN 26 1HE2 GLN 26 -10.070 4.576 2.452 202 2HE2 GLN 26 2HE2 GLN 26 -11.596 5.194 2.038 203 H ASN 27 H ASN 27 -8.454 2.508 -3.888 204 HA ASN 27 HA ASN 27 -9.843 0.268 -4.979 205 1HB ASN 27 2HB ASN 27 -9.491 2.514 -6.092 206 2HB ASN 27 1HB ASN 27 -7.830 2.019 -6.423 207 1HD2 ASN 27 1HD2 ASN 27 -11.223 0.925 -6.966 208 2HD2 ASN 27 2HD2 ASN 27 -10.892 0.152 -8.440 209 H LEU 28 H LEU 28 -6.339 1.021 -5.005 210 HA LEU 28 HA LEU 28 -5.600 -1.545 -6.112 211 1HB LEU 28 2HB LEU 28 -3.869 0.345 -4.495 212 2HB LEU 28 1HB LEU 28 -3.321 -0.883 -5.634 213 HG LEU 28 HG LEU 28 -4.917 1.609 -6.294 214 1HD1 LEU 28 1HD1 LEU 28 -2.868 2.098 -7.669 215 2HD1 LEU 28 2HD1 LEU 28 -2.097 0.692 -6.932 216 3HD1 LEU 28 3HD1 LEU 28 -2.560 2.070 -5.932 217 1HD2 LEU 28 1HD2 LEU 28 -4.383 0.717 -8.692 218 2HD2 LEU 28 2HD2 LEU 28 -5.734 0.005 -7.812 219 3HD2 LEU 28 3HD2 LEU 28 -4.190 -0.842 -7.891 220 H ARG 29 H ARG 29 -5.970 -0.305 -2.819 221 HA ARG 29 HA ARG 29 -4.712 -2.639 -1.611 222 1HB ARG 29 2HB ARG 29 -6.351 -0.358 -0.497 223 2HB ARG 29 1HB ARG 29 -5.743 -1.672 0.512 224 1HG ARG 29 2HG ARG 29 -3.442 -1.176 -0.195 225 2HG ARG 29 1HG ARG 29 -4.031 0.113 -1.246 226 1HD ARG 29 2HD ARG 29 -4.383 0.023 1.765 227 2HD ARG 29 1HD ARG 29 -3.198 1.007 0.910 228 HE ARG 29 HE ARG 29 -5.615 1.721 -0.244 229 1HH1 ARG 29 1HH2 ARG 29 -4.327 1.525 2.950 230 2HH1 ARG 29 2HH2 ARG 29 -5.293 2.826 3.561 231 1HH2 ARG 29 1HH1 ARG 29 -6.880 3.418 0.535 232 2HH2 ARG 29 2HH1 ARG 29 -6.739 3.898 2.193 233 H ARG 30 H ARG 30 -8.101 -1.598 -2.116 234 HA ARG 30 HA ARG 30 -9.236 -3.835 -0.710 235 1HB ARG 30 2HB ARG 30 -10.485 -1.740 -1.350 236 2HB ARG 30 1HB ARG 30 -10.492 -2.319 -3.017 237 1HG ARG 30 2HG ARG 30 -11.773 -4.267 -2.420 238 2HG ARG 30 1HG ARG 30 -11.571 -3.941 -0.699 239 1HD ARG 30 2HD ARG 30 -12.970 -2.028 -2.582 240 2HD ARG 30 1HD ARG 30 -13.822 -3.264 -1.659 241 HE ARG 30 HE ARG 30 -12.344 -1.919 0.256 242 1HH1 ARG 30 1HH2 ARG 30 -14.561 -1.056 -2.241 243 2HH1 ARG 30 2HH2 ARG 30 -15.180 0.323 -1.395 244 1HH2 ARG 30 1HH1 ARG 30 -13.138 -0.127 1.372 245 2HH2 ARG 30 2HH1 ARG 30 -14.374 0.849 0.652 246 H GLU 31 H GLU 31 -8.297 -3.328 -4.095 247 HA GLU 31 HA GLU 31 -9.356 -5.745 -5.168 248 1HB GLU 31 2HB GLU 31 -6.986 -4.022 -5.907 249 2HB GLU 31 1HB GLU 31 -7.362 -5.491 -6.805 250 1HG GLU 31 2HG GLU 31 -9.608 -4.636 -7.301 251 2HG GLU 31 1HG GLU 31 -9.276 -3.182 -6.359 252 H ARG 32 H ARG 32 -6.704 -5.151 -3.035 253 HA ARG 32 HA ARG 32 -5.710 -7.936 -3.455 254 1HB ARG 32 2HB ARG 32 -4.354 -5.483 -2.310 255 2HB ARG 32 1HB ARG 32 -3.649 -7.100 -2.269 256 1HG ARG 32 2HG ARG 32 -3.765 -7.225 -4.724 257 2HG ARG 32 1HG ARG 32 -4.490 -5.618 -4.777 258 1HD ARG 32 2HD ARG 32 -2.357 -4.934 -3.388 259 2HD ARG 32 1HD ARG 32 -1.678 -6.403 -4.086 260 HE ARG 32 HE ARG 32 -2.006 -3.945 -5.485 261 1HH1 ARG 32 1HH2 ARG 32 -2.590 -7.331 -5.770 262 2HH1 ARG 32 2HH2 ARG 32 -2.456 -7.344 -7.497 263 1HH2 ARG 32 1HH1 ARG 32 -1.829 -3.941 -7.737 264 2HH2 ARG 32 2HH1 ARG 32 -2.026 -5.425 -8.611 265 H GLY 33 H GLY 33 -7.867 -6.487 -1.535 266 1HA GLY 33 2HA GLY 33 -8.793 -7.230 0.508 267 2HA GLY 33 1HA GLY 33 -7.536 -8.465 0.572 268 H LEU 34 H LEU 34 -7.286 -4.897 0.465 269 HA LEU 34 HA LEU 34 -6.142 -4.949 3.204 270 1HB LEU 34 2HB LEU 34 -4.710 -3.945 0.734 271 2HB LEU 34 1HB LEU 34 -4.246 -3.469 2.367 272 HG LEU 34 HG LEU 34 -4.436 -6.343 1.424 273 1HD1 LEU 34 1HD1 LEU 34 -1.928 -6.244 1.529 274 2HD1 LEU 34 2HD1 LEU 34 -2.050 -4.498 1.744 275 3HD1 LEU 34 3HD1 LEU 34 -2.615 -5.243 0.250 276 1HD2 LEU 34 1HD2 LEU 34 -3.824 -4.966 3.997 277 2HD2 LEU 34 2HD2 LEU 34 -2.833 -6.367 3.591 278 3HD2 LEU 34 3HD2 LEU 34 -4.584 -6.532 3.715 279 H PHE 35 H PHE 35 -8.396 -3.714 1.294 280 HA PHE 35 HA PHE 35 -9.486 -1.623 1.110 281 1HB PHE 35 2HB PHE 35 -10.112 -0.751 3.246 282 2HB PHE 35 1HB PHE 35 -9.918 -2.488 3.475 283 HD1 PHE 35 1HD PHE 35 -8.277 0.812 3.950 284 HD2 PHE 35 2HD PHE 35 -8.208 -3.377 4.893 285 HE1 PHE 35 1HE PHE 35 -6.553 1.231 5.684 286 HE2 PHE 35 2HE PHE 35 -6.485 -2.959 6.626 287 HZ PHE 35 HZ PHE 35 -5.658 -0.654 7.021 Start of MODEL 16 1 1H LEU 1 1HT LEU 1 1.798 -1.066 11.810 2 2H LEU 1 2HT LEU 1 1.276 -0.117 10.501 3 3H LEU 1 3HT LEU 1 2.539 -1.235 10.294 4 HA LEU 1 HA LEU 1 0.473 -2.743 11.264 5 1HB LEU 1 2HB LEU 1 -0.452 -0.572 9.384 6 2HB LEU 1 1HB LEU 1 -1.259 -2.140 9.433 7 HG LEU 1 HG LEU 1 -1.585 -1.857 11.888 8 1HD1 LEU 1 1HD1 LEU 1 -0.241 0.778 11.279 9 2HD1 LEU 1 2HD1 LEU 1 0.167 -0.396 12.532 10 3HD1 LEU 1 3HD1 LEU 1 -1.294 0.582 12.681 11 1HD2 LEU 1 1HD2 LEU 1 -3.354 -0.156 11.707 12 2HD2 LEU 1 2HD2 LEU 1 -3.345 -1.180 10.272 13 3HD2 LEU 1 3HD2 LEU 1 -2.645 0.437 10.204 14 H SER 2 H SER 2 1.477 -4.513 10.414 15 HA SER 2 HA SER 2 2.554 -5.895 8.839 16 1HB SER 2 2HB SER 2 1.356 -5.730 6.531 17 2HB SER 2 1HB SER 2 0.421 -6.264 7.923 18 HG SER 2 HG SER 2 0.571 -3.620 6.887 19 H ASP 3 H ASP 3 3.790 -3.288 9.241 20 HA ASP 3 HA ASP 3 4.458 -1.953 6.835 21 1HB ASP 3 2HB ASP 3 6.308 -2.440 9.190 22 2HB ASP 3 1HB ASP 3 6.425 -1.134 8.011 23 H GLU 4 H GLU 4 5.661 -4.957 8.219 24 HA GLU 4 HA GLU 4 7.826 -5.227 6.277 25 1HB GLU 4 2HB GLU 4 7.766 -6.303 8.591 26 2HB GLU 4 1HB GLU 4 6.575 -7.428 7.937 27 1HG GLU 4 2HG GLU 4 8.201 -8.051 6.148 28 2HG GLU 4 1HG GLU 4 9.398 -7.007 6.916 29 H ASP 5 H ASP 5 4.766 -7.011 6.814 30 HA ASP 5 HA ASP 5 4.833 -8.400 4.316 31 1HB ASP 5 2HB ASP 5 2.577 -7.645 6.185 32 2HB ASP 5 1HB ASP 5 2.305 -8.579 4.713 33 H PHE 6 H PHE 6 3.413 -5.291 5.273 34 HA PHE 6 HA PHE 6 2.026 -4.689 2.883 35 1HB PHE 6 2HB PHE 6 1.841 -3.310 4.907 36 2HB PHE 6 1HB PHE 6 3.523 -2.809 4.734 37 HD1 PHE 6 1HD PHE 6 0.104 -2.396 3.496 38 HD2 PHE 6 2HD PHE 6 4.222 -1.359 2.851 39 HE1 PHE 6 1HE PHE 6 -0.594 -0.568 1.971 40 HE2 PHE 6 2HE PHE 6 3.523 0.468 1.326 41 HZ PHE 6 HZ PHE 6 1.115 0.863 0.887 42 H ARG 7 H ARG 7 5.325 -3.596 3.767 43 HA ARG 7 HA ARG 7 6.021 -2.420 1.330 44 1HB ARG 7 2HB ARG 7 7.445 -2.345 3.347 45 2HB ARG 7 1HB ARG 7 7.827 -4.055 3.142 46 1HG ARG 7 2HG ARG 7 8.936 -3.630 1.042 47 2HG ARG 7 1HG ARG 7 8.379 -1.956 1.028 48 1HD ARG 7 2HD ARG 7 10.674 -1.949 1.774 49 2HD ARG 7 1HD ARG 7 9.661 -1.603 3.174 50 HE ARG 7 HE ARG 7 9.976 -4.365 3.220 51 1HH1 ARG 7 1HH2 ARG 7 12.029 -1.599 3.095 52 2HH1 ARG 7 2HH2 ARG 7 13.328 -2.361 3.952 53 1HH2 ARG 7 1HH1 ARG 7 11.657 -5.375 4.336 54 2HH2 ARG 7 2HH1 ARG 7 13.118 -4.499 4.654 55 H ALA 8 H ALA 8 5.953 -5.849 2.162 56 HA ALA 8 HA ALA 8 7.308 -6.742 -0.233 57 1HB ALA 8 1HB ALA 8 7.181 -8.165 1.754 58 2HB ALA 8 2HB ALA 8 6.398 -8.973 0.396 59 3HB ALA 8 3HB ALA 8 5.421 -8.197 1.644 60 H VAL 9 H VAL 9 3.962 -5.987 0.558 61 HA VAL 9 HA VAL 9 2.834 -7.327 -1.746 62 HB VAL 9 HB VAL 9 1.740 -5.153 0.054 63 1HG1 VAL 9 1HG1 VAL 9 -0.475 -5.965 -0.962 64 2HG1 VAL 9 2HG1 VAL 9 0.505 -6.695 -2.234 65 3HG1 VAL 9 3HG1 VAL 9 0.536 -4.949 -1.990 66 1HG2 VAL 9 1HG2 VAL 9 0.574 -6.930 1.149 67 2HG2 VAL 9 2HG2 VAL 9 2.233 -7.500 0.962 68 3HG2 VAL 9 3HG2 VAL 9 0.975 -8.075 -0.131 69 1HN PF5 10 H PF5 10 3.479 -3.846 -1.089 70 HA PF5 10 HA PF5 10 3.026 -3.352 -3.987 71 1HB PF5 10 1HB PF5 10 2.783 -1.020 -3.383 72 2HB PF5 10 2HB PF5 10 3.380 -1.339 -1.749 73 H GLY 11 H GLY 11 5.588 -3.849 -1.840 74 1HA GLY 11 2HA GLY 11 7.900 -3.824 -2.331 75 2HA GLY 11 1HA GLY 11 7.513 -3.156 -3.917 76 H MET 12 H MET 12 6.174 -1.560 -1.153 77 HA MET 12 HA MET 12 8.401 0.346 -0.923 78 1HB MET 12 2HB MET 12 6.782 2.279 -1.441 79 2HB MET 12 1HB MET 12 7.384 1.358 -2.821 80 1HG MET 12 2HG MET 12 5.329 -0.007 -2.812 81 2HG MET 12 1HG MET 12 4.724 0.912 -1.433 82 1HE MET 12 1HE MET 12 6.683 2.485 -4.737 83 2HE MET 12 2HE MET 12 5.296 2.117 -5.760 84 3HE MET 12 3HE MET 12 6.064 0.831 -4.833 85 H THR 13 H THR 13 8.103 1.788 0.903 86 HA THR 13 HA THR 13 6.643 0.581 3.080 87 HB THR 13 HB THR 13 7.262 2.818 4.227 88 HG1 THR 13 1HG THR 13 7.526 4.018 2.338 89 1HG2 THR 13 1HG2 THR 13 9.626 2.134 4.406 90 2HG2 THR 13 2HG2 THR 13 9.426 1.082 3.005 91 3HG2 THR 13 3HG2 THR 13 8.552 0.739 4.498 92 H ARG 14 H ARG 14 4.837 1.527 4.242 93 HA ARG 14 HA ARG 14 2.682 2.398 2.643 94 1HB ARG 14 2HB ARG 14 3.158 2.888 5.598 95 2HB ARG 14 1HB ARG 14 1.611 3.090 4.778 96 1HG ARG 14 2HG ARG 14 1.771 0.677 4.054 97 2HG ARG 14 1HG ARG 14 3.185 0.520 5.096 98 1HD ARG 14 2HD ARG 14 0.339 1.126 5.918 99 2HD ARG 14 1HD ARG 14 1.355 -0.211 6.434 100 HE ARG 14 HE ARG 14 1.285 2.394 7.642 101 1HH1 ARG 14 1HH2 ARG 14 3.432 -0.109 6.609 102 2HH1 ARG 14 2HH2 ARG 14 4.677 0.315 7.738 103 1HH2 ARG 14 1HH1 ARG 14 2.899 2.949 9.122 104 2HH2 ARG 14 2HH1 ARG 14 4.375 2.044 9.156 105 H SER 15 H SER 15 5.275 4.243 4.130 106 HA SER 15 HA SER 15 4.048 6.826 4.020 107 1HB SER 15 2HB SER 15 6.987 6.169 3.657 108 2HB SER 15 1HB SER 15 6.312 7.722 4.142 109 HG SER 15 HG SER 15 5.961 5.282 5.554 110 H ALA 16 H ALA 16 6.090 5.090 1.665 111 HA ALA 16 HA ALA 16 5.881 7.173 -0.340 112 1HB ALA 16 1HB ALA 16 6.815 4.311 -0.335 113 2HB ALA 16 2HB ALA 16 7.748 5.777 -0.632 114 3HB ALA 16 3HB ALA 16 6.626 5.183 -1.856 115 H PHE 17 H PHE 17 4.218 4.075 0.232 116 HA PHE 17 HA PHE 17 2.589 4.094 -2.100 117 1HB PHE 17 2HB PHE 17 2.861 2.196 -0.419 118 2HB PHE 17 1HB PHE 17 1.724 3.065 0.613 119 HD1 PHE 17 1HD PHE 17 2.091 1.819 -2.905 120 HD2 PHE 17 2HD PHE 17 -0.574 2.710 0.344 121 HE1 PHE 17 1HE PHE 17 0.197 0.884 -4.203 122 HE2 PHE 17 2HE PHE 17 -2.468 1.775 -0.954 123 HZ PHE 17 HZ PHE 17 -2.083 0.861 -3.227 124 H ALA 18 H ALA 18 2.146 5.616 1.077 125 HA ALA 18 HA ALA 18 -0.518 6.537 0.707 126 1HB ALA 18 1HB ALA 18 -0.048 8.122 2.465 127 2HB ALA 18 2HB ALA 18 1.686 8.025 2.160 128 3HB ALA 18 3HB ALA 18 0.834 6.643 2.847 129 H ASN 19 H ASN 19 2.398 7.446 -0.850 130 HA ASN 19 HA ASN 19 1.835 10.176 -1.476 131 1HB ASN 19 2HB ASN 19 4.039 8.987 -1.810 132 2HB ASN 19 1HB ASN 19 3.328 8.198 -3.217 133 1HD2 ASN 19 1HD2 ASN 19 3.987 11.472 -1.879 134 2HD2 ASN 19 2HD2 ASN 19 4.135 12.224 -3.393 135 H LEU 20 H LEU 20 0.840 7.146 -3.022 136 HA LEU 20 HA LEU 20 -0.221 8.264 -5.428 137 1HB LEU 20 2HB LEU 20 -1.249 5.847 -3.909 138 2HB LEU 20 1HB LEU 20 -1.478 6.186 -5.625 139 HG LEU 20 HG LEU 20 1.242 5.852 -4.332 140 1HD1 LEU 20 1HD1 LEU 20 0.252 3.714 -4.140 141 2HD1 LEU 20 2HD1 LEU 20 1.132 3.635 -5.666 142 3HD1 LEU 20 3HD1 LEU 20 -0.613 3.882 -5.667 143 1HD2 LEU 20 1HD2 LEU 20 0.211 6.180 -7.149 144 2HD2 LEU 20 2HD2 LEU 20 1.756 5.388 -6.843 145 3HD2 LEU 20 3HD2 LEU 20 1.509 7.060 -6.342 146 HA PRO 21 HA PRO 21 -3.862 10.538 -4.414 147 1HB PRO 21 2HB PRO 21 -5.256 8.536 -6.180 148 2HB PRO 21 1HB PRO 21 -5.421 10.305 -6.143 149 1HG PRO 21 2HG PRO 21 -3.960 9.183 -8.014 150 2HG PRO 21 1HG PRO 21 -3.378 10.644 -7.194 151 1HD PRO 21 2HD PRO 21 -2.463 7.811 -6.857 152 2HD PRO 21 1HD PRO 21 -1.526 9.317 -6.748 153 H LEU 22 H LEU 22 -5.266 10.432 -2.712 154 HA LEU 22 HA LEU 22 -5.425 8.239 -0.975 155 1HB LEU 22 2HB LEU 22 -7.526 10.389 -1.360 156 2HB LEU 22 1HB LEU 22 -7.296 9.406 0.086 157 HG LEU 22 HG LEU 22 -5.257 11.328 -1.075 158 1HD1 LEU 22 1HD1 LEU 22 -5.707 12.533 1.111 159 2HD1 LEU 22 2HD1 LEU 22 -7.094 11.468 1.330 160 3HD1 LEU 22 3HD1 LEU 22 -7.040 12.576 -0.042 161 1HD2 LEU 22 1HD2 LEU 22 -3.961 9.713 -0.005 162 2HD2 LEU 22 2HD2 LEU 22 -5.227 9.325 1.161 163 3HD2 LEU 22 3HD2 LEU 22 -4.296 10.813 1.333 164 H TRP 23 H TRP 23 -7.848 9.193 -3.440 165 HA TRP 23 HA TRP 23 -9.637 7.031 -2.904 166 1HB TRP 23 2HB TRP 23 -10.684 7.590 -4.997 167 2HB TRP 23 1HB TRP 23 -10.143 9.100 -4.264 168 HD1 TRP 23 HD TRP 23 -8.358 10.493 -5.514 169 HE1 TRP 23 1HE TRP 23 -7.143 10.239 -7.774 170 HE3 TRP 23 3HE TRP 23 -9.701 5.713 -6.703 171 HZ2 TRP 23 2HZ TRP 23 -6.789 8.266 -9.816 172 HZ3 TRP 23 3HZ TRP 23 -8.913 4.672 -8.808 173 HH2 TRP 23 HH TRP 23 -7.460 5.941 -10.365 174 H ARG 24 H ARG 24 -6.832 7.269 -5.066 175 HA ARG 24 HA ARG 24 -7.267 4.758 -6.394 176 1HB ARG 24 2HB ARG 24 -5.742 6.525 -7.247 177 2HB ARG 24 1HB ARG 24 -4.647 6.199 -5.904 178 1HG ARG 24 2HG ARG 24 -4.359 3.887 -6.658 179 2HG ARG 24 1HG ARG 24 -5.511 4.153 -7.969 180 1HD ARG 24 2HD ARG 24 -3.834 4.901 -9.263 181 2HD ARG 24 1HD ARG 24 -3.572 6.226 -8.126 182 HE ARG 24 HE ARG 24 -2.257 4.119 -6.935 183 1HH1 ARG 24 1HH2 ARG 24 -2.301 5.526 -10.081 184 2HH1 ARG 24 2HH2 ARG 24 -0.636 5.177 -10.406 185 1HH2 ARG 24 1HH1 ARG 24 -0.080 3.656 -7.340 186 2HH2 ARG 24 2HH1 ARG 24 0.622 4.119 -8.855 187 H GLN 25 H GLN 25 -5.229 5.614 -3.571 188 HA GLN 25 HA GLN 25 -4.051 3.109 -3.137 189 1HB GLN 25 2HB GLN 25 -5.060 5.070 -1.059 190 2HB GLN 25 1HB GLN 25 -3.953 3.735 -0.733 191 1HG GLN 25 2HG GLN 25 -2.286 4.671 -2.235 192 2HG GLN 25 1HG GLN 25 -3.406 5.934 -2.751 193 1HE2 GLN 25 1HE2 GLN 25 -3.496 5.035 0.616 194 2HE2 GLN 25 2HE2 GLN 25 -2.691 6.405 1.213 195 H GLN 26 H GLN 26 -7.265 4.212 -1.988 196 HA GLN 26 HA GLN 26 -7.924 1.714 -0.714 197 1HB GLN 26 2HB GLN 26 -9.742 3.820 -1.929 198 2HB GLN 26 1HB GLN 26 -10.279 2.500 -0.889 199 1HG GLN 26 2HG GLN 26 -8.865 3.336 0.937 200 2HG GLN 26 1HG GLN 26 -8.278 4.637 -0.099 201 1HE2 GLN 26 1HE2 GLN 26 -9.641 5.235 2.335 202 2HE2 GLN 26 2HE2 GLN 26 -11.140 5.937 1.961 203 H ASN 27 H ASN 27 -8.172 2.922 -4.004 204 HA ASN 27 HA ASN 27 -9.819 0.830 -5.069 205 1HB ASN 27 2HB ASN 27 -9.185 3.054 -6.172 206 2HB ASN 27 1HB ASN 27 -7.644 2.299 -6.580 207 1HD2 ASN 27 1HD2 ASN 27 -9.801 -0.216 -6.583 208 2HD2 ASN 27 2HD2 ASN 27 -10.257 -0.200 -8.217 209 H LEU 28 H LEU 28 -6.259 1.245 -5.100 210 HA LEU 28 HA LEU 28 -5.764 -1.381 -6.199 211 1HB LEU 28 2HB LEU 28 -3.885 0.361 -4.577 212 2HB LEU 28 1HB LEU 28 -3.429 -0.945 -5.668 213 HG LEU 28 HG LEU 28 -4.806 1.640 -6.453 214 1HD1 LEU 28 1HD1 LEU 28 -2.674 2.004 -7.705 215 2HD1 LEU 28 2HD1 LEU 28 -2.023 0.544 -6.963 216 3HD1 LEU 28 3HD1 LEU 28 -2.431 1.935 -5.960 217 1HD2 LEU 28 1HD2 LEU 28 -5.641 0.068 -7.983 218 2HD2 LEU 28 2HD2 LEU 28 -4.170 -0.903 -7.933 219 3HD2 LEU 28 3HD2 LEU 28 -4.180 0.635 -8.795 220 H ARG 29 H ARG 29 -6.067 -0.124 -2.909 221 HA ARG 29 HA ARG 29 -4.993 -2.520 -1.669 222 1HB ARG 29 2HB ARG 29 -6.546 -0.151 -0.628 223 2HB ARG 29 1HB ARG 29 -6.101 -1.506 0.411 224 1HG ARG 29 2HG ARG 29 -3.726 -1.184 -0.179 225 2HG ARG 29 1HG ARG 29 -4.167 0.171 -1.218 226 1HD ARG 29 2HD ARG 29 -4.694 0.031 1.766 227 2HD ARG 29 1HD ARG 29 -3.381 0.932 1.012 228 HE ARG 29 HE ARG 29 -5.663 1.873 -0.259 229 1HH1 ARG 29 1HH2 ARG 29 -4.566 1.506 2.992 230 2HH1 ARG 29 2HH2 ARG 29 -5.449 2.875 3.583 231 1HH2 ARG 29 1HH1 ARG 29 -6.818 3.657 0.494 232 2HH2 ARG 29 2HH1 ARG 29 -6.724 4.093 2.167 233 H ARG 30 H ARG 30 -8.315 -1.332 -2.290 234 HA ARG 30 HA ARG 30 -9.618 -3.501 -0.943 235 1HB ARG 30 2HB ARG 30 -10.658 -1.309 -1.826 236 2HB ARG 30 1HB ARG 30 -10.746 -2.128 -3.387 237 1HG ARG 30 2HG ARG 30 -12.737 -2.924 -2.640 238 2HG ARG 30 1HG ARG 30 -11.761 -4.035 -1.679 239 1HD ARG 30 2HD ARG 30 -12.891 -1.367 -0.800 240 2HD ARG 30 1HD ARG 30 -13.310 -2.960 -0.176 241 HE ARG 30 HE ARG 30 -10.592 -2.783 0.288 242 1HH1 ARG 30 1HH2 ARG 30 -13.353 -0.823 0.944 243 2HH1 ARG 30 2HH2 ARG 30 -12.701 -0.163 2.406 244 1HH2 ARG 30 1HH1 ARG 30 -9.727 -1.934 2.191 245 2HH2 ARG 30 2HH1 ARG 30 -10.647 -0.791 3.112 246 H GLU 31 H GLU 31 -8.627 -3.076 -4.344 247 HA GLU 31 HA GLU 31 -9.599 -5.616 -5.262 248 1HB GLU 31 2HB GLU 31 -7.287 -3.915 -6.256 249 2HB GLU 31 1HB GLU 31 -7.964 -5.291 -7.127 250 1HG GLU 31 2HG GLU 31 -9.550 -2.845 -6.291 251 2HG GLU 31 1HG GLU 31 -8.884 -3.101 -7.904 252 H ARG 32 H ARG 32 -6.988 -4.750 -3.225 253 HA ARG 32 HA ARG 32 -5.415 -7.170 -3.829 254 1HB ARG 32 2HB ARG 32 -4.439 -4.873 -3.218 255 2HB ARG 32 1HB ARG 32 -4.933 -5.235 -1.564 256 1HG ARG 32 2HG ARG 32 -2.732 -6.046 -1.623 257 2HG ARG 32 1HG ARG 32 -3.685 -7.496 -1.944 258 1HD ARG 32 2HD ARG 32 -3.350 -6.387 -4.466 259 2HD ARG 32 1HD ARG 32 -1.797 -6.090 -3.685 260 HE ARG 32 HE ARG 32 -2.567 -8.592 -4.687 261 1HH1 ARG 32 1HH2 ARG 32 -1.593 -7.186 -1.693 262 2HH1 ARG 32 2HH2 ARG 32 -0.860 -8.637 -1.096 263 1HH2 ARG 32 1HH1 ARG 32 -1.617 -10.496 -3.925 264 2HH2 ARG 32 2HH1 ARG 32 -0.875 -10.511 -2.360 265 H GLY 33 H GLY 33 -7.845 -6.149 -1.545 266 1HA GLY 33 2HA GLY 33 -9.055 -7.702 -0.157 267 2HA GLY 33 1HA GLY 33 -7.720 -8.842 -0.318 268 H LEU 34 H LEU 34 -6.392 -5.855 0.311 269 HA LEU 34 HA LEU 34 -6.134 -6.549 3.201 270 1HB LEU 34 2HB LEU 34 -4.435 -4.587 1.646 271 2HB LEU 34 1HB LEU 34 -4.069 -5.344 3.196 272 HG LEU 34 HG LEU 34 -4.329 -6.792 0.544 273 1HD1 LEU 34 1HD1 LEU 34 -2.267 -5.356 0.896 274 2HD1 LEU 34 2HD1 LEU 34 -1.940 -7.072 0.654 275 3HD1 LEU 34 3HD1 LEU 34 -1.878 -6.383 2.276 276 1HD2 LEU 34 1HD2 LEU 34 -3.855 -7.697 3.385 277 2HD2 LEU 34 2HD2 LEU 34 -3.290 -8.658 2.018 278 3HD2 LEU 34 3HD2 LEU 34 -5.011 -8.326 2.211 279 H PHE 35 H PHE 35 -6.143 -4.716 4.744 280 HA PHE 35 HA PHE 35 -7.260 -2.867 5.667 281 1HB PHE 35 2HB PHE 35 -6.557 -1.886 2.894 282 2HB PHE 35 1HB PHE 35 -7.302 -0.844 4.106 283 HD1 PHE 35 1HD PHE 35 -4.305 -2.869 3.295 284 HD2 PHE 35 2HD PHE 35 -6.065 -0.046 6.011 285 HE1 PHE 35 1HE PHE 35 -2.087 -2.488 4.336 286 HE2 PHE 35 2HE PHE 35 -3.847 0.334 7.053 287 HZ PHE 35 HZ PHE 35 -1.858 -0.887 6.215 Start of MODEL 17 1 1H LEU 1 1HT LEU 1 2.512 -1.658 11.052 2 2H LEU 1 2HT LEU 1 1.357 -0.641 11.773 3 3H LEU 1 3HT LEU 1 1.782 -0.427 10.143 4 HA LEU 1 HA LEU 1 0.311 -2.721 11.317 5 1HB LEU 1 2HB LEU 1 -0.939 -0.570 10.875 6 2HB LEU 1 1HB LEU 1 -0.503 -0.737 9.175 7 HG LEU 1 HG LEU 1 -1.527 -3.104 9.344 8 1HD1 LEU 1 1HD1 LEU 1 -3.418 -3.066 11.109 9 2HD1 LEU 1 2HD1 LEU 1 -2.477 -1.800 11.895 10 3HD1 LEU 1 3HD1 LEU 1 -1.784 -3.407 11.677 11 1HD2 LEU 1 1HD2 LEU 1 -3.859 -2.130 9.086 12 2HD2 LEU 1 2HD2 LEU 1 -2.630 -1.390 8.060 13 3HD2 LEU 1 3HD2 LEU 1 -3.173 -0.565 9.522 14 H SER 2 H SER 2 1.174 -4.541 10.415 15 HA SER 2 HA SER 2 2.137 -5.955 8.796 16 1HB SER 2 2HB SER 2 -0.018 -4.445 7.322 17 2HB SER 2 1HB SER 2 0.944 -5.678 6.513 18 HG SER 2 HG SER 2 -1.146 -6.007 8.099 19 H ASP 3 H ASP 3 3.556 -3.443 9.250 20 HA ASP 3 HA ASP 3 4.311 -2.119 6.861 21 1HB ASP 3 2HB ASP 3 6.338 -1.463 8.047 22 2HB ASP 3 1HB ASP 3 4.980 -1.411 9.171 23 H GLU 4 H GLU 4 5.286 -5.226 8.190 24 HA GLU 4 HA GLU 4 7.435 -5.607 6.241 25 1HB GLU 4 2HB GLU 4 7.282 -6.694 8.564 26 2HB GLU 4 1HB GLU 4 6.070 -7.765 7.860 27 1HG GLU 4 2HG GLU 4 8.185 -8.893 7.670 28 2HG GLU 4 1HG GLU 4 7.759 -8.326 6.055 29 H ASP 5 H ASP 5 4.258 -7.170 6.780 30 HA ASP 5 HA ASP 5 4.235 -8.562 4.278 31 1HB ASP 5 2HB ASP 5 2.016 -7.669 6.136 32 2HB ASP 5 1HB ASP 5 1.717 -8.625 4.684 33 H PHE 6 H PHE 6 3.041 -5.369 5.254 34 HA PHE 6 HA PHE 6 1.677 -4.692 2.856 35 1HB PHE 6 2HB PHE 6 1.520 -3.333 4.897 36 2HB PHE 6 1HB PHE 6 3.223 -2.895 4.750 37 HD1 PHE 6 1HD PHE 6 -0.163 -2.300 3.521 38 HD2 PHE 6 2HD PHE 6 4.001 -1.487 2.851 39 HE1 PHE 6 1HE PHE 6 -0.772 -0.429 2.011 40 HE2 PHE 6 2HE PHE 6 3.392 0.384 1.340 41 HZ PHE 6 HZ PHE 6 1.006 0.913 0.921 42 H ARG 7 H ARG 7 5.001 -3.736 3.800 43 HA ARG 7 HA ARG 7 5.771 -2.564 1.379 44 1HB ARG 7 2HB ARG 7 7.113 -2.658 3.523 45 2HB ARG 7 1HB ARG 7 7.583 -4.300 3.080 46 1HG ARG 7 2HG ARG 7 8.541 -3.455 0.967 47 2HG ARG 7 1HG ARG 7 8.075 -1.813 1.413 48 1HD ARG 7 2HD ARG 7 9.461 -2.755 3.643 49 2HD ARG 7 1HD ARG 7 10.380 -3.376 2.275 50 HE ARG 7 HE ARG 7 10.478 -0.702 3.125 51 1HH1 ARG 7 1HH2 ARG 7 9.715 -2.492 0.280 52 2HH1 ARG 7 2HH2 ARG 7 10.239 -1.246 -0.803 53 1HH2 ARG 7 1HH1 ARG 7 11.165 0.932 1.730 54 2HH2 ARG 7 2HH1 ARG 7 11.060 0.693 0.017 55 H ALA 8 H ALA 8 5.700 -6.003 2.225 56 HA ALA 8 HA ALA 8 7.039 -6.942 -0.136 57 1HB ALA 8 1HB ALA 8 6.766 -8.382 1.811 58 2HB ALA 8 2HB ALA 8 5.960 -9.126 0.431 59 3HB ALA 8 3HB ALA 8 5.011 -8.299 1.666 60 H VAL 9 H VAL 9 3.710 -6.001 0.502 61 HA VAL 9 HA VAL 9 2.603 -7.280 -1.843 62 HB VAL 9 HB VAL 9 1.584 -5.022 -0.104 63 1HG1 VAL 9 1HG1 VAL 9 0.556 -4.786 -2.279 64 2HG1 VAL 9 2HG1 VAL 9 -0.621 -5.564 -1.218 65 3HG1 VAL 9 3HG1 VAL 9 0.280 -6.525 -2.391 66 1HG2 VAL 9 1HG2 VAL 9 0.285 -6.689 0.970 67 2HG2 VAL 9 2HG2 VAL 9 1.868 -7.442 0.773 68 3HG2 VAL 9 3HG2 VAL 9 0.552 -7.854 -0.327 69 1HN PF5 10 H PF5 10 3.474 -3.850 -1.189 70 HA PF5 10 HA PF5 10 3.240 -3.392 -4.126 71 1HB PF5 10 1HB PF5 10 2.910 -1.075 -3.621 72 2HB PF5 10 2HB PF5 10 3.459 -1.297 -1.955 73 H GLY 11 H GLY 11 5.574 -3.864 -1.723 74 1HA GLY 11 2HA GLY 11 7.922 -3.892 -1.995 75 2HA GLY 11 1HA GLY 11 7.702 -3.249 -3.623 76 H MET 12 H MET 12 6.138 -1.587 -1.018 77 HA MET 12 HA MET 12 8.366 0.315 -0.676 78 1HB MET 12 2HB MET 12 6.758 2.235 -1.262 79 2HB MET 12 1HB MET 12 7.411 1.311 -2.615 80 1HG MET 12 2HG MET 12 5.362 -0.066 -2.667 81 2HG MET 12 1HG MET 12 4.705 0.863 -1.319 82 1HE MET 12 1HE MET 12 5.151 0.416 -4.945 83 2HE MET 12 2HE MET 12 6.537 1.490 -4.773 84 3HE MET 12 3HE MET 12 5.134 2.015 -5.701 85 H THR 13 H THR 13 7.924 1.841 1.089 86 HA THR 13 HA THR 13 6.390 0.605 3.223 87 HB THR 13 HB THR 13 7.013 2.777 4.437 88 HG1 THR 13 1HG THR 13 8.913 3.269 2.524 89 1HG2 THR 13 1HG2 THR 13 8.328 0.689 4.601 90 2HG2 THR 13 2HG2 THR 13 9.367 2.114 4.640 91 3HG2 THR 13 3HG2 THR 13 9.236 1.158 3.164 92 H ARG 14 H ARG 14 4.575 1.627 4.337 93 HA ARG 14 HA ARG 14 2.485 2.502 2.657 94 1HB ARG 14 2HB ARG 14 2.892 3.042 5.613 95 2HB ARG 14 1HB ARG 14 1.373 3.274 4.749 96 1HG ARG 14 2HG ARG 14 1.577 0.819 4.037 97 2HG ARG 14 1HG ARG 14 2.846 0.682 5.255 98 1HD ARG 14 2HD ARG 14 0.802 0.032 6.346 99 2HD ARG 14 1HD ARG 14 1.189 1.643 6.930 100 HE ARG 14 HE ARG 14 -0.445 2.078 4.717 101 1HH1 ARG 14 1HH2 ARG 14 -0.619 0.237 7.635 102 2HH1 ARG 14 2HH2 ARG 14 -2.336 0.411 7.795 103 1HH2 ARG 14 1HH1 ARG 14 -2.684 2.303 4.911 104 2HH2 ARG 14 2HH1 ARG 14 -3.501 1.580 6.256 105 H SER 15 H SER 15 5.074 4.329 4.174 106 HA SER 15 HA SER 15 3.910 6.933 3.986 107 1HB SER 15 2HB SER 15 6.049 6.361 5.204 108 2HB SER 15 1HB SER 15 6.842 6.243 3.636 109 HG SER 15 HG SER 15 6.760 8.354 3.432 110 H ALA 16 H ALA 16 5.991 5.140 1.703 111 HA ALA 16 HA ALA 16 5.821 7.184 -0.344 112 1HB ALA 16 1HB ALA 16 6.761 4.325 -0.264 113 2HB ALA 16 2HB ALA 16 7.695 5.788 -0.575 114 3HB ALA 16 3HB ALA 16 6.598 5.163 -1.807 115 H PHE 17 H PHE 17 4.146 4.097 0.253 116 HA PHE 17 HA PHE 17 2.578 4.049 -2.115 117 1HB PHE 17 2HB PHE 17 2.798 2.216 -0.348 118 2HB PHE 17 1HB PHE 17 1.613 3.119 0.598 119 HD1 PHE 17 1HD PHE 17 2.144 1.719 -2.840 120 HD2 PHE 17 2HD PHE 17 -0.672 2.762 0.233 121 HE1 PHE 17 1HE PHE 17 0.311 0.726 -4.183 122 HE2 PHE 17 2HE PHE 17 -2.504 1.768 -1.110 123 HZ PHE 17 HZ PHE 17 -2.013 0.750 -3.317 124 H ALA 18 H ALA 18 2.077 5.706 0.979 125 HA ALA 18 HA ALA 18 -0.583 6.599 0.554 126 1HB ALA 18 1HB ALA 18 1.669 8.095 1.936 127 2HB ALA 18 2HB ALA 18 0.666 6.859 2.696 128 3HB ALA 18 3HB ALA 18 -0.058 8.376 2.159 129 H ASN 19 H ASN 19 2.326 7.431 -1.062 130 HA ASN 19 HA ASN 19 1.813 10.108 -1.853 131 1HB ASN 19 2HB ASN 19 3.944 8.821 -2.242 132 2HB ASN 19 1HB ASN 19 3.123 7.963 -3.546 133 1HD2 ASN 19 1HD2 ASN 19 3.927 11.310 -2.484 134 2HD2 ASN 19 2HD2 ASN 19 4.028 11.942 -4.056 135 H LEU 20 H LEU 20 0.623 7.043 -3.188 136 HA LEU 20 HA LEU 20 -0.548 8.078 -5.576 137 1HB LEU 20 2HB LEU 20 -1.588 5.798 -3.868 138 2HB LEU 20 1HB LEU 20 -1.892 6.050 -5.587 139 HG LEU 20 HG LEU 20 0.819 5.532 -4.328 140 1HD1 LEU 20 1HD1 LEU 20 -0.369 3.479 -4.338 141 2HD1 LEU 20 2HD1 LEU 20 0.588 3.441 -5.819 142 3HD1 LEU 20 3HD1 LEU 20 -1.130 3.833 -5.889 143 1HD2 LEU 20 1HD2 LEU 20 1.318 5.208 -6.890 144 2HD2 LEU 20 2HD2 LEU 20 1.297 6.836 -6.214 145 3HD2 LEU 20 3HD2 LEU 20 -0.100 6.234 -7.105 146 HA PRO 21 HA PRO 21 -4.007 10.592 -4.488 147 1HB PRO 21 2HB PRO 21 -5.586 8.539 -6.027 148 2HB PRO 21 1HB PRO 21 -5.698 10.312 -6.084 149 1HG PRO 21 2HG PRO 21 -4.395 9.026 -7.974 150 2HG PRO 21 1HG PRO 21 -3.731 10.525 -7.296 151 1HD PRO 21 2HD PRO 21 -2.833 7.707 -6.854 152 2HD PRO 21 1HD PRO 21 -1.880 9.207 -6.858 153 H LEU 22 H LEU 22 -5.553 10.656 -2.856 154 HA LEU 22 HA LEU 22 -5.571 8.638 -0.873 155 1HB LEU 22 2HB LEU 22 -6.181 11.031 -0.512 156 2HB LEU 22 1HB LEU 22 -7.703 10.739 -1.353 157 HG LEU 22 HG LEU 22 -8.202 8.932 0.327 158 1HD1 LEU 22 1HD1 LEU 22 -6.179 8.276 1.271 159 2HD1 LEU 22 2HD1 LEU 22 -6.783 9.368 2.516 160 3HD1 LEU 22 3HD1 LEU 22 -5.570 9.928 1.365 161 1HD2 LEU 22 1HD2 LEU 22 -7.749 11.778 1.264 162 2HD2 LEU 22 2HD2 LEU 22 -8.624 10.580 2.219 163 3HD2 LEU 22 3HD2 LEU 22 -9.245 11.077 0.645 164 H TRP 23 H TRP 23 -7.863 9.218 -3.530 165 HA TRP 23 HA TRP 23 -9.678 7.127 -2.606 166 1HB TRP 23 2HB TRP 23 -10.932 7.592 -4.623 167 2HB TRP 23 1HB TRP 23 -10.405 9.130 -3.938 168 HD1 TRP 23 HD TRP 23 -8.830 10.613 -5.348 169 HE1 TRP 23 1HE TRP 23 -7.789 10.406 -7.697 170 HE3 TRP 23 3HE TRP 23 -9.965 5.745 -6.387 171 HZ2 TRP 23 2HZ TRP 23 -7.478 8.434 -9.747 172 HZ3 TRP 23 3HZ TRP 23 -9.286 4.728 -8.542 173 HH2 TRP 23 HH TRP 23 -8.045 6.064 -10.221 174 H ARG 24 H ARG 24 -7.004 7.333 -4.893 175 HA ARG 24 HA ARG 24 -7.566 4.843 -6.239 176 1HB ARG 24 2HB ARG 24 -6.090 6.621 -7.171 177 2HB ARG 24 1HB ARG 24 -4.902 6.253 -5.919 178 1HG ARG 24 2HG ARG 24 -4.707 3.954 -6.736 179 2HG ARG 24 1HG ARG 24 -5.946 4.261 -7.953 180 1HD ARG 24 2HD ARG 24 -4.312 4.934 -9.343 181 2HD ARG 24 1HD ARG 24 -4.056 6.319 -8.278 182 HE ARG 24 HE ARG 24 -2.611 4.317 -7.054 183 1HH1 ARG 24 1HH2 ARG 24 -2.838 5.589 -10.249 184 2HH1 ARG 24 2HH2 ARG 24 -1.174 5.294 -10.629 185 1HH2 ARG 24 1HH1 ARG 24 -0.434 3.925 -7.530 186 2HH2 ARG 24 2HH1 ARG 24 0.187 4.352 -9.089 187 H GLN 25 H GLN 25 -5.271 5.662 -3.601 188 HA GLN 25 HA GLN 25 -4.080 3.167 -3.261 189 1HB GLN 25 2HB GLN 25 -3.932 3.756 -0.809 190 2HB GLN 25 1HB GLN 25 -3.357 5.013 -1.905 191 1HG GLN 25 2HG GLN 25 -5.579 6.128 -1.761 192 2HG GLN 25 1HG GLN 25 -6.095 4.905 -0.598 193 1HE2 GLN 25 1HE2 GLN 25 -5.405 5.130 1.576 194 2HE2 GLN 25 2HE2 GLN 25 -4.416 6.398 2.118 195 H GLN 26 H GLN 26 -7.290 4.187 -2.077 196 HA GLN 26 HA GLN 26 -7.837 1.713 -0.694 197 1HB GLN 26 2HB GLN 26 -9.694 3.780 -1.907 198 2HB GLN 26 1HB GLN 26 -10.245 2.416 -0.935 199 1HG GLN 26 2HG GLN 26 -8.873 3.197 0.956 200 2HG GLN 26 1HG GLN 26 -8.304 4.556 -0.014 201 1HE2 GLN 26 1HE2 GLN 26 -9.720 5.019 2.416 202 2HE2 GLN 26 2HE2 GLN 26 -11.233 5.696 2.045 203 H ASN 27 H ASN 27 -8.333 2.853 -4.001 204 HA ASN 27 HA ASN 27 -9.874 0.656 -4.965 205 1HB ASN 27 2HB ASN 27 -9.448 2.831 -6.175 206 2HB ASN 27 1HB ASN 27 -7.819 2.251 -6.525 207 1HD2 ASN 27 1HD2 ASN 27 -9.602 -0.519 -6.512 208 2HD2 ASN 27 2HD2 ASN 27 -10.040 -0.597 -8.150 209 H LEU 28 H LEU 28 -6.337 1.207 -5.092 210 HA LEU 28 HA LEU 28 -5.753 -1.394 -6.191 211 1HB LEU 28 2HB LEU 28 -3.920 0.395 -4.570 212 2HB LEU 28 1HB LEU 28 -3.434 -0.874 -5.693 213 HG LEU 28 HG LEU 28 -4.892 1.691 -6.395 214 1HD1 LEU 28 1HD1 LEU 28 -2.448 1.891 -5.932 215 2HD1 LEU 28 2HD1 LEU 28 -2.839 2.211 -7.622 216 3HD1 LEU 28 3HD1 LEU 28 -2.142 0.660 -7.158 217 1HD2 LEU 28 1HD2 LEU 28 -5.756 0.125 -7.919 218 2HD2 LEU 28 2HD2 LEU 28 -4.262 -0.811 -7.951 219 3HD2 LEU 28 3HD2 LEU 28 -4.345 0.746 -8.776 220 H ARG 29 H ARG 29 -6.081 -0.168 -2.893 221 HA ARG 29 HA ARG 29 -4.885 -2.511 -1.669 222 1HB ARG 29 2HB ARG 29 -6.517 -0.200 -0.633 223 2HB ARG 29 1HB ARG 29 -6.082 -1.553 0.413 224 1HG ARG 29 2HG ARG 29 -3.697 -1.201 -0.109 225 2HG ARG 29 1HG ARG 29 -4.124 0.146 -1.164 226 1HD ARG 29 2HD ARG 29 -4.732 0.008 1.804 227 2HD ARG 29 1HD ARG 29 -3.409 0.921 1.085 228 HE ARG 29 HE ARG 29 -5.665 1.833 -0.251 229 1HH1 ARG 29 1HH2 ARG 29 -4.650 1.492 3.029 230 2HH1 ARG 29 2HH2 ARG 29 -5.562 2.853 3.589 231 1HH2 ARG 29 1HH1 ARG 29 -6.857 3.609 0.463 232 2HH2 ARG 29 2HH1 ARG 29 -6.812 4.052 2.136 233 H ARG 30 H ARG 30 -8.289 -1.458 -2.134 234 HA ARG 30 HA ARG 30 -9.393 -3.807 -0.892 235 1HB ARG 30 2HB ARG 30 -10.397 -1.465 -2.211 236 2HB ARG 30 1HB ARG 30 -11.184 -2.884 -2.905 237 1HG ARG 30 2HG ARG 30 -11.907 -3.637 -0.730 238 2HG ARG 30 1HG ARG 30 -10.934 -2.406 0.075 239 1HD ARG 30 2HD ARG 30 -13.055 -1.609 -1.907 240 2HD ARG 30 1HD ARG 30 -13.483 -1.962 -0.235 241 HE ARG 30 HE ARG 30 -11.366 -0.185 -0.019 242 1HH1 ARG 30 1HH2 ARG 30 -14.400 -0.279 -1.656 243 2HH1 ARG 30 2HH2 ARG 30 -14.644 1.434 -1.579 244 1HH2 ARG 30 1HH1 ARG 30 -11.667 2.049 0.089 245 2HH2 ARG 30 2HH1 ARG 30 -13.096 2.752 -0.590 246 H GLU 31 H GLU 31 -8.324 -3.072 -4.172 247 HA GLU 31 HA GLU 31 -9.432 -5.316 -5.524 248 1HB GLU 31 2HB GLU 31 -8.200 -3.381 -6.593 249 2HB GLU 31 1HB GLU 31 -6.695 -4.101 -6.023 250 1HG GLU 31 2HG GLU 31 -7.032 -4.830 -8.298 251 2HG GLU 31 1HG GLU 31 -7.343 -6.212 -7.247 252 H ARG 32 H ARG 32 -6.808 -5.049 -3.249 253 HA ARG 32 HA ARG 32 -6.040 -7.882 -3.789 254 1HB ARG 32 2HB ARG 32 -4.538 -5.754 -2.241 255 2HB ARG 32 1HB ARG 32 -3.948 -7.369 -2.634 256 1HG ARG 32 2HG ARG 32 -4.354 -6.748 -5.089 257 2HG ARG 32 1HG ARG 32 -4.523 -5.084 -4.525 258 1HD ARG 32 2HD ARG 32 -2.227 -5.311 -5.120 259 2HD ARG 32 1HD ARG 32 -2.263 -5.409 -3.360 260 HE ARG 32 HE ARG 32 -2.462 -8.048 -4.147 261 1HH1 ARG 32 1HH2 ARG 32 -0.377 -5.402 -4.878 262 2HH1 ARG 32 2HH2 ARG 32 1.013 -6.399 -5.149 263 1HH2 ARG 32 1HH1 ARG 32 -0.659 -9.366 -4.497 264 2HH2 ARG 32 2HH1 ARG 32 0.853 -8.643 -4.932 265 H GLY 33 H GLY 33 -7.790 -5.963 -1.593 266 1HA GLY 33 2HA GLY 33 -8.912 -6.656 0.371 267 2HA GLY 33 1HA GLY 33 -8.171 -8.245 0.177 268 H LEU 34 H LEU 34 -5.827 -5.818 0.017 269 HA LEU 34 HA LEU 34 -5.129 -6.303 2.885 270 1HB LEU 34 2HB LEU 34 -3.231 -5.498 0.668 271 2HB LEU 34 1HB LEU 34 -2.814 -6.078 2.281 272 HG LEU 34 HG LEU 34 -4.200 -7.671 0.104 273 1HD1 LEU 34 1HD1 LEU 34 -1.512 -8.110 1.432 274 2HD1 LEU 34 2HD1 LEU 34 -1.710 -7.272 -0.107 275 3HD1 LEU 34 3HD1 LEU 34 -2.168 -8.969 0.039 276 1HD2 LEU 34 1HD2 LEU 34 -3.635 -8.211 3.016 277 2HD2 LEU 34 2HD2 LEU 34 -3.733 -9.541 1.863 278 3HD2 LEU 34 3HD2 LEU 34 -5.124 -8.485 2.113 279 H PHE 35 H PHE 35 -4.707 -4.524 4.186 280 HA PHE 35 HA PHE 35 -4.175 -1.883 3.146 281 1HB PHE 35 2HB PHE 35 -6.276 -0.807 3.624 282 2HB PHE 35 1HB PHE 35 -6.628 -2.190 2.588 283 HD1 PHE 35 1HD PHE 35 -6.994 -0.745 5.929 284 HD2 PHE 35 2HD PHE 35 -7.601 -4.263 3.539 285 HE1 PHE 35 1HE PHE 35 -8.506 -1.666 7.666 286 HE2 PHE 35 2HE PHE 35 -9.113 -5.183 5.276 287 HZ PHE 35 HZ PHE 35 -9.564 -3.885 7.340 Start of MODEL 18 1 1H LEU 1 1HT LEU 1 0.748 -0.568 11.666 2 2H LEU 1 2HT LEU 1 1.916 -1.788 11.859 3 3H LEU 1 3HT LEU 1 0.498 -1.810 12.795 4 HA LEU 1 HA LEU 1 -0.708 -2.786 11.209 5 1HB LEU 1 2HB LEU 1 -0.529 -0.592 9.921 6 2HB LEU 1 1HB LEU 1 0.845 -1.303 9.076 7 HG LEU 1 HG LEU 1 -0.824 -3.314 8.693 8 1HD1 LEU 1 1HD1 LEU 1 -2.630 -2.413 10.080 9 2HD1 LEU 1 2HD1 LEU 1 -3.150 -2.471 8.395 10 3HD1 LEU 1 3HD1 LEU 1 -2.662 -0.936 9.115 11 1HD2 LEU 1 1HD2 LEU 1 -1.582 -2.176 6.584 12 2HD2 LEU 1 2HD2 LEU 1 0.149 -2.021 6.879 13 3HD2 LEU 1 3HD2 LEU 1 -0.928 -0.666 7.215 14 H SER 2 H SER 2 1.180 -2.936 8.516 15 HA SER 2 HA SER 2 2.914 -5.125 9.533 16 1HB SER 2 2HB SER 2 2.089 -6.738 8.021 17 2HB SER 2 1HB SER 2 0.630 -5.964 8.630 18 HG SER 2 HG SER 2 1.994 -5.127 6.288 19 H ASP 3 H ASP 3 4.320 -3.094 9.033 20 HA ASP 3 HA ASP 3 4.786 -2.230 6.368 21 1HB ASP 3 2HB ASP 3 6.950 -1.439 7.174 22 2HB ASP 3 1HB ASP 3 5.731 -1.134 8.411 23 H GLU 4 H GLU 4 5.914 -5.060 8.135 24 HA GLU 4 HA GLU 4 7.906 -5.884 6.227 25 1HB GLU 4 2HB GLU 4 7.583 -6.763 8.610 26 2HB GLU 4 1HB GLU 4 6.257 -7.731 7.967 27 1HG GLU 4 2HG GLU 4 7.829 -8.724 6.306 28 2HG GLU 4 1HG GLU 4 9.148 -7.825 7.058 29 H ASP 5 H ASP 5 4.501 -6.863 6.701 30 HA ASP 5 HA ASP 5 4.473 -8.457 4.266 31 1HB ASP 5 2HB ASP 5 2.133 -7.379 5.869 32 2HB ASP 5 1HB ASP 5 2.087 -8.705 4.706 33 H PHE 6 H PHE 6 3.055 -5.315 5.206 34 HA PHE 6 HA PHE 6 1.866 -4.634 2.750 35 1HB PHE 6 2HB PHE 6 1.588 -3.279 4.779 36 2HB PHE 6 1HB PHE 6 3.288 -2.812 4.716 37 HD1 PHE 6 1HD PHE 6 -0.044 -2.270 3.328 38 HD2 PHE 6 2HD PHE 6 4.134 -1.389 2.856 39 HE1 PHE 6 1HE PHE 6 -0.611 -0.406 1.794 40 HE2 PHE 6 2HE PHE 6 3.566 0.476 1.321 41 HZ PHE 6 HZ PHE 6 1.194 0.968 0.791 42 H ARG 7 H ARG 7 5.132 -3.627 3.840 43 HA ARG 7 HA ARG 7 5.988 -2.430 1.463 44 1HB ARG 7 2HB ARG 7 7.262 -2.468 3.616 45 2HB ARG 7 1HB ARG 7 7.706 -4.143 3.286 46 1HG ARG 7 2HG ARG 7 8.773 -3.429 1.167 47 2HG ARG 7 1HG ARG 7 8.361 -1.754 1.535 48 1HD ARG 7 2HD ARG 7 10.101 -3.543 3.258 49 2HD ARG 7 1HD ARG 7 10.694 -2.280 2.183 50 HE ARG 7 HE ARG 7 8.881 -0.968 3.826 51 1HH1 ARG 7 1HH2 ARG 7 11.639 -2.993 4.252 52 2HH1 ARG 7 2HH2 ARG 7 12.110 -2.259 5.748 53 1HH2 ARG 7 1HH1 ARG 7 9.480 -0.001 5.774 54 2HH2 ARG 7 2HH1 ARG 7 10.888 -0.565 6.610 55 H ALA 8 H ALA 8 5.907 -5.875 2.275 56 HA ALA 8 HA ALA 8 7.342 -6.753 -0.067 57 1HB ALA 8 1HB ALA 8 7.014 -8.139 1.984 58 2HB ALA 8 2HB ALA 8 6.515 -8.977 0.514 59 3HB ALA 8 3HB ALA 8 5.302 -8.274 1.584 60 H VAL 9 H VAL 9 3.970 -5.965 0.558 61 HA VAL 9 HA VAL 9 2.919 -7.285 -1.784 62 HB VAL 9 HB VAL 9 1.817 -5.030 -0.092 63 1HG1 VAL 9 1HG1 VAL 9 -0.369 -5.767 -1.194 64 2HG1 VAL 9 2HG1 VAL 9 0.627 -6.605 -2.385 65 3HG1 VAL 9 3HG1 VAL 9 0.739 -4.853 -2.217 66 1HG2 VAL 9 1HG2 VAL 9 0.925 -7.915 -0.240 67 2HG2 VAL 9 2HG2 VAL 9 0.563 -6.725 1.011 68 3HG2 VAL 9 3HG2 VAL 9 2.189 -7.393 0.873 69 1HN PF5 10 H PF5 10 3.633 -3.810 -1.164 70 HA PF5 10 HA PF5 10 3.382 -3.379 -4.098 71 1HB PF5 10 1HB PF5 10 3.134 -1.034 -3.575 72 2HB PF5 10 2HB PF5 10 3.634 -1.308 -1.901 73 H GLY 11 H GLY 11 5.774 -3.784 -1.713 74 1HA GLY 11 2HA GLY 11 8.117 -3.837 -2.049 75 2HA GLY 11 1HA GLY 11 7.858 -3.230 -3.685 76 H MET 12 H MET 12 6.443 -1.574 -0.956 77 HA MET 12 HA MET 12 8.645 0.349 -0.733 78 1HB MET 12 2HB MET 12 7.431 2.271 -1.559 79 2HB MET 12 1HB MET 12 7.406 1.038 -2.821 80 1HG MET 12 2HG MET 12 5.166 0.343 -1.485 81 2HG MET 12 1HG MET 12 5.182 2.073 -1.140 82 1HE MET 12 1HE MET 12 4.982 3.839 -4.443 83 2HE MET 12 2HE MET 12 6.481 3.450 -3.605 84 3HE MET 12 3HE MET 12 5.053 3.896 -2.676 85 H THR 13 H THR 13 8.224 1.919 0.994 86 HA THR 13 HA THR 13 6.689 0.761 3.164 87 HB THR 13 HB THR 13 7.320 2.923 4.337 88 HG1 THR 13 1HG THR 13 8.029 4.475 3.144 89 1HG2 THR 13 1HG2 THR 13 9.671 2.335 4.504 90 2HG2 THR 13 2HG2 THR 13 9.599 1.473 2.967 91 3HG2 THR 13 3HG2 THR 13 8.725 0.852 4.367 92 H ARG 14 H ARG 14 4.840 1.748 4.212 93 HA ARG 14 HA ARG 14 2.766 2.594 2.502 94 1HB ARG 14 2HB ARG 14 3.151 3.125 5.462 95 2HB ARG 14 1HB ARG 14 1.644 3.414 4.592 96 1HG ARG 14 2HG ARG 14 1.646 1.004 3.899 97 2HG ARG 14 1HG ARG 14 3.056 0.751 4.928 98 1HD ARG 14 2HD ARG 14 0.345 1.745 5.868 99 2HD ARG 14 1HD ARG 14 0.997 0.133 6.133 100 HE ARG 14 HE ARG 14 2.932 1.831 7.183 101 1HH1 ARG 14 1HH2 ARG 14 -0.478 1.409 7.561 102 2HH1 ARG 14 2HH2 ARG 14 -0.483 1.882 9.228 103 1HH2 ARG 14 1HH1 ARG 14 2.934 2.457 9.354 104 2HH2 ARG 14 2HH1 ARG 14 1.447 2.473 10.240 105 H SER 15 H SER 15 5.318 4.461 4.032 106 HA SER 15 HA SER 15 4.151 7.054 3.802 107 1HB SER 15 2HB SER 15 6.294 6.510 5.021 108 2HB SER 15 1HB SER 15 7.083 6.369 3.453 109 HG SER 15 HG SER 15 6.255 8.555 3.070 110 H ALA 16 H ALA 16 6.170 5.195 1.524 111 HA ALA 16 HA ALA 16 6.016 7.217 -0.551 112 1HB ALA 16 1HB ALA 16 6.836 5.292 -2.012 113 2HB ALA 16 2HB ALA 16 6.811 4.296 -0.556 114 3HB ALA 16 3HB ALA 16 7.870 5.704 -0.645 115 H PHE 17 H PHE 17 4.308 4.161 0.106 116 HA PHE 17 HA PHE 17 2.698 4.128 -2.240 117 1HB PHE 17 2HB PHE 17 2.945 2.293 -0.467 118 2HB PHE 17 1HB PHE 17 1.763 3.196 0.482 119 HD1 PHE 17 1HD PHE 17 2.280 1.808 -2.964 120 HD2 PHE 17 2HD PHE 17 -0.521 2.819 0.133 121 HE1 PHE 17 1HE PHE 17 0.443 0.809 -4.298 122 HE2 PHE 17 2HE PHE 17 -2.357 1.821 -1.203 123 HZ PHE 17 HZ PHE 17 -1.874 0.817 -3.418 124 H ALA 18 H ALA 18 2.313 5.819 0.843 125 HA ALA 18 HA ALA 18 -0.364 6.715 0.499 126 1HB ALA 18 1HB ALA 18 1.897 8.273 1.787 127 2HB ALA 18 2HB ALA 18 1.029 6.965 2.588 128 3HB ALA 18 3HB ALA 18 0.173 8.434 2.120 129 H ASN 19 H ASN 19 2.507 7.531 -1.195 130 HA ASN 19 HA ASN 19 1.980 10.206 -1.982 131 1HB ASN 19 2HB ASN 19 3.311 7.978 -3.554 132 2HB ASN 19 1HB ASN 19 3.412 9.695 -3.944 133 1HD2 ASN 19 1HD2 ASN 19 5.760 8.177 -3.305 134 2HD2 ASN 19 2HD2 ASN 19 6.374 8.741 -1.827 135 H LEU 20 H LEU 20 0.728 7.144 -3.252 136 HA LEU 20 HA LEU 20 -0.497 8.190 -5.618 137 1HB LEU 20 2HB LEU 20 -1.436 5.873 -3.900 138 2HB LEU 20 1HB LEU 20 -1.843 6.150 -5.594 139 HG LEU 20 HG LEU 20 0.959 5.692 -4.526 140 1HD1 LEU 20 1HD1 LEU 20 -1.067 3.905 -5.873 141 2HD1 LEU 20 2HD1 LEU 20 -0.156 3.605 -4.394 142 3HD1 LEU 20 3HD1 LEU 20 0.660 3.563 -5.957 143 1HD2 LEU 20 1HD2 LEU 20 -0.203 6.310 -7.230 144 2HD2 LEU 20 2HD2 LEU 20 1.247 5.313 -7.118 145 3HD2 LEU 20 3HD2 LEU 20 1.254 6.954 -6.473 146 HA PRO 21 HA PRO 21 -3.953 10.651 -4.399 147 1HB PRO 21 2HB PRO 21 -5.548 8.610 -5.937 148 2HB PRO 21 1HB PRO 21 -5.676 10.382 -5.962 149 1HG PRO 21 2HG PRO 21 -4.406 9.138 -7.902 150 2HG PRO 21 1HG PRO 21 -3.741 10.632 -7.216 151 1HD PRO 21 2HD PRO 21 -2.807 7.816 -6.838 152 2HD PRO 21 1HD PRO 21 -1.867 9.325 -6.844 153 H LEU 22 H LEU 22 -5.377 10.672 -2.678 154 HA LEU 22 HA LEU 22 -5.350 8.606 -0.760 155 1HB LEU 22 2HB LEU 22 -5.950 10.976 -0.304 156 2HB LEU 22 1HB LEU 22 -7.489 10.723 -1.127 157 HG LEU 22 HG LEU 22 -6.890 8.707 0.935 158 1HD1 LEU 22 1HD1 LEU 22 -5.928 10.561 2.133 159 2HD1 LEU 22 2HD1 LEU 22 -7.553 10.322 2.776 160 3HD1 LEU 22 3HD1 LEU 22 -7.238 11.633 1.638 161 1HD2 LEU 22 1HD2 LEU 22 -9.222 8.944 1.371 162 2HD2 LEU 22 2HD2 LEU 22 -9.060 9.139 -0.375 163 3HD2 LEU 22 3HD2 LEU 22 -9.269 10.555 0.655 164 H TRP 23 H TRP 23 -7.720 9.232 -3.334 165 HA TRP 23 HA TRP 23 -9.523 7.144 -2.392 166 1HB TRP 23 2HB TRP 23 -10.811 7.625 -4.385 167 2HB TRP 23 1HB TRP 23 -10.265 9.155 -3.698 168 HD1 TRP 23 HD TRP 23 -8.703 10.640 -5.122 169 HE1 TRP 23 1HE TRP 23 -7.705 10.445 -7.491 170 HE3 TRP 23 3HE TRP 23 -9.893 5.789 -6.183 171 HZ2 TRP 23 2HZ TRP 23 -7.447 8.489 -9.563 172 HZ3 TRP 23 3HZ TRP 23 -9.260 4.786 -8.360 173 HH2 TRP 23 HH TRP 23 -8.040 6.129 -10.049 174 H ARG 24 H ARG 24 -6.883 7.335 -4.715 175 HA ARG 24 HA ARG 24 -7.492 4.872 -6.085 176 1HB ARG 24 2HB ARG 24 -5.989 6.636 -6.999 177 2HB ARG 24 1HB ARG 24 -4.802 6.227 -5.759 178 1HG ARG 24 2HG ARG 24 -4.643 3.943 -6.614 179 2HG ARG 24 1HG ARG 24 -5.899 4.278 -7.807 180 1HD ARG 24 2HD ARG 24 -4.284 4.953 -9.219 181 2HD ARG 24 1HD ARG 24 -3.985 6.316 -8.138 182 HE ARG 24 HE ARG 24 -2.548 4.276 -6.972 183 1HH1 ARG 24 1HH2 ARG 24 -2.819 5.590 -10.146 184 2HH1 ARG 24 2HH2 ARG 24 -1.169 5.270 -10.564 185 1HH2 ARG 24 1HH1 ARG 24 -0.390 3.853 -7.498 186 2HH2 ARG 24 2HH1 ARG 24 0.207 4.288 -9.064 187 H GLN 25 H GLN 25 -5.221 5.618 -3.411 188 HA GLN 25 HA GLN 25 -4.034 3.111 -3.124 189 1HB GLN 25 2HB GLN 25 -3.998 3.655 -0.617 190 2HB GLN 25 1HB GLN 25 -3.264 4.842 -1.697 191 1HG GLN 25 2HG GLN 25 -5.292 6.204 -1.652 192 2HG GLN 25 1HG GLN 25 -6.115 4.992 -0.668 193 1HE2 GLN 25 1HE2 GLN 25 -3.555 7.451 -0.617 194 2HE2 GLN 25 2HE2 GLN 25 -3.416 7.521 1.073 195 H GLN 26 H GLN 26 -7.244 4.118 -1.920 196 HA GLN 26 HA GLN 26 -7.808 1.616 -0.600 197 1HB GLN 26 2HB GLN 26 -9.673 3.693 -1.790 198 2HB GLN 26 1HB GLN 26 -10.203 2.333 -0.800 199 1HG GLN 26 2HG GLN 26 -8.808 3.133 1.066 200 2HG GLN 26 1HG GLN 26 -8.260 4.488 0.080 201 1HE2 GLN 26 1HE2 GLN 26 -9.627 4.994 2.513 202 2HE2 GLN 26 2HE2 GLN 26 -11.154 5.646 2.164 203 H ASN 27 H ASN 27 -8.260 2.822 -3.886 204 HA ASN 27 HA ASN 27 -9.806 0.646 -4.904 205 1HB ASN 27 2HB ASN 27 -9.377 2.846 -6.068 206 2HB ASN 27 1HB ASN 27 -7.744 2.280 -6.417 207 1HD2 ASN 27 1HD2 ASN 27 -11.187 1.322 -6.893 208 2HD2 ASN 27 2HD2 ASN 27 -10.911 0.510 -8.359 209 H LEU 28 H LEU 28 -6.269 1.205 -5.002 210 HA LEU 28 HA LEU 28 -5.689 -1.398 -6.114 211 1HB LEU 28 2HB LEU 28 -3.847 0.414 -4.530 212 2HB LEU 28 1HB LEU 28 -3.365 -0.867 -5.641 213 HG LEU 28 HG LEU 28 -4.859 1.669 -6.373 214 1HD1 LEU 28 1HD1 LEU 28 -2.776 2.114 -7.682 215 2HD1 LEU 28 2HD1 LEU 28 -2.054 0.674 -6.965 216 3HD1 LEU 28 3HD1 LEU 28 -2.483 2.047 -5.944 217 1HD2 LEU 28 1HD2 LEU 28 -4.162 -0.837 -7.893 218 2HD2 LEU 28 2HD2 LEU 28 -4.274 0.708 -8.738 219 3HD2 LEU 28 3HD2 LEU 28 -5.677 0.065 -7.883 220 H ARG 29 H ARG 29 -5.978 -0.149 -2.821 221 HA ARG 29 HA ARG 29 -4.818 -2.543 -1.628 222 1HB ARG 29 2HB ARG 29 -6.300 -0.165 -0.502 223 2HB ARG 29 1HB ARG 29 -5.782 -1.517 0.508 224 1HG ARG 29 2HG ARG 29 -3.454 -1.184 -0.200 225 2HG ARG 29 1HG ARG 29 -3.951 0.134 -1.260 226 1HD ARG 29 2HD ARG 29 -4.272 0.082 1.756 227 2HD ARG 29 1HD ARG 29 -3.067 1.011 0.867 228 HE ARG 29 HE ARG 29 -5.479 1.821 -0.234 229 1HH1 ARG 29 1HH2 ARG 29 -4.123 1.587 2.931 230 2HH1 ARG 29 2HH2 ARG 29 -5.018 2.932 3.555 231 1HH2 ARG 29 1HH1 ARG 29 -6.651 3.574 0.564 232 2HH2 ARG 29 2HH1 ARG 29 -6.450 4.057 2.215 233 H ARG 30 H ARG 30 -8.160 -1.299 -2.011 234 HA ARG 30 HA ARG 30 -9.416 -3.459 -0.626 235 1HB ARG 30 2HB ARG 30 -10.376 -1.630 -2.836 236 2HB ARG 30 1HB ARG 30 -11.416 -2.864 -2.122 237 1HG ARG 30 2HG ARG 30 -11.030 -1.880 0.118 238 2HG ARG 30 1HG ARG 30 -10.022 -0.631 -0.614 239 1HD ARG 30 2HD ARG 30 -12.961 -1.112 -1.190 240 2HD ARG 30 1HD ARG 30 -12.291 0.228 -0.261 241 HE ARG 30 HE ARG 30 -10.993 0.400 -2.705 242 1HH1 ARG 30 1HH2 ARG 30 -14.260 0.213 -1.616 243 2HH1 ARG 30 2HH2 ARG 30 -14.890 1.153 -2.927 244 1HH2 ARG 30 1HH1 ARG 30 -11.795 1.627 -4.421 245 2HH2 ARG 30 2HH1 ARG 30 -13.493 1.954 -4.515 246 H GLU 31 H GLU 31 -8.498 -3.072 -4.044 247 HA GLU 31 HA GLU 31 -9.577 -5.579 -4.940 248 1HB GLU 31 2HB GLU 31 -7.628 -3.576 -5.962 249 2HB GLU 31 1HB GLU 31 -7.486 -5.205 -6.622 250 1HG GLU 31 2HG GLU 31 -9.024 -3.729 -7.942 251 2HG GLU 31 1HG GLU 31 -9.812 -5.179 -7.320 252 H ARG 32 H ARG 32 -6.931 -4.810 -2.928 253 HA ARG 32 HA ARG 32 -5.431 -7.268 -3.578 254 1HB ARG 32 2HB ARG 32 -4.597 -4.819 -2.769 255 2HB ARG 32 1HB ARG 32 -4.670 -5.651 -1.215 256 1HG ARG 32 2HG ARG 32 -2.540 -6.262 -1.857 257 2HG ARG 32 1HG ARG 32 -3.449 -7.573 -2.610 258 1HD ARG 32 2HD ARG 32 -2.151 -5.195 -3.876 259 2HD ARG 32 1HD ARG 32 -2.212 -6.867 -4.432 260 HE ARG 32 HE ARG 32 -4.846 -6.017 -4.588 261 1HH1 ARG 32 1HH2 ARG 32 -1.785 -4.905 -5.718 262 2HH1 ARG 32 2HH2 ARG 32 -2.429 -4.181 -7.154 263 1HH2 ARG 32 1HH1 ARG 32 -5.704 -5.079 -6.457 264 2HH2 ARG 32 2HH1 ARG 32 -4.648 -4.280 -7.572 265 H GLY 33 H GLY 33 -7.899 -6.286 -1.384 266 1HA GLY 33 2HA GLY 33 -9.082 -7.816 0.039 267 2HA GLY 33 1HA GLY 33 -7.717 -8.928 -0.067 268 H LEU 34 H LEU 34 -6.307 -6.031 0.501 269 HA LEU 34 HA LEU 34 -5.957 -6.657 3.357 270 1HB LEU 34 2HB LEU 34 -4.772 -4.398 1.715 271 2HB LEU 34 1HB LEU 34 -4.244 -4.917 3.315 272 HG LEU 34 HG LEU 34 -4.210 -6.666 0.839 273 1HD1 LEU 34 1HD1 LEU 34 -2.576 -4.726 0.853 274 2HD1 LEU 34 2HD1 LEU 34 -1.827 -6.322 0.794 275 3HD1 LEU 34 3HD1 LEU 34 -1.872 -5.424 2.312 276 1HD2 LEU 34 1HD2 LEU 34 -3.477 -7.048 3.731 277 2HD2 LEU 34 2HD2 LEU 34 -2.604 -7.942 2.486 278 3HD2 LEU 34 3HD2 LEU 34 -4.349 -8.137 2.653 279 H PHE 35 H PHE 35 -8.031 -4.729 1.493 280 HA PHE 35 HA PHE 35 -9.086 -3.457 3.922 281 1HB PHE 35 2HB PHE 35 -7.757 -1.908 1.702 282 2HB PHE 35 1HB PHE 35 -9.021 -1.176 2.689 283 HD1 PHE 35 1HD PHE 35 -5.583 -2.467 2.642 284 HD2 PHE 35 2HD PHE 35 -8.694 -0.810 5.099 285 HE1 PHE 35 1HE PHE 35 -3.931 -2.028 4.440 286 HE2 PHE 35 2HE PHE 35 -7.042 -0.373 6.896 287 HZ PHE 35 HZ PHE 35 -4.661 -0.982 6.566 Start of MODEL 19 1 1H LEU 1 1HT LEU 1 0.719 0.292 9.940 2 2H LEU 1 2HT LEU 1 1.176 -0.930 11.027 3 3H LEU 1 3HT LEU 1 -0.355 -0.206 11.154 4 HA LEU 1 HA LEU 1 -1.048 -2.003 10.028 5 1HB LEU 1 2HB LEU 1 0.311 -0.636 7.695 6 2HB LEU 1 1HB LEU 1 -1.182 -1.576 7.676 7 HG LEU 1 HG LEU 1 -0.764 1.086 9.066 8 1HD1 LEU 1 1HD1 LEU 1 -2.651 0.397 6.804 9 2HD1 LEU 1 2HD1 LEU 1 -1.026 1.021 6.522 10 3HD1 LEU 1 3HD1 LEU 1 -2.207 1.997 7.396 11 1HD2 LEU 1 1HD2 LEU 1 -3.037 -0.900 9.037 12 2HD2 LEU 1 2HD2 LEU 1 -3.334 0.815 9.324 13 3HD2 LEU 1 3HD2 LEU 1 -2.298 -0.095 10.422 14 H SER 2 H SER 2 -0.398 -3.719 8.248 15 HA SER 2 HA SER 2 1.894 -5.126 9.225 16 1HB SER 2 2HB SER 2 0.790 -5.612 6.474 17 2HB SER 2 1HB SER 2 1.357 -6.780 7.665 18 HG SER 2 HG SER 2 -1.112 -5.953 7.239 19 H ASP 3 H ASP 3 3.396 -3.172 9.010 20 HA ASP 3 HA ASP 3 4.268 -2.215 6.473 21 1HB ASP 3 2HB ASP 3 6.283 -1.468 7.639 22 2HB ASP 3 1HB ASP 3 4.876 -1.173 8.661 23 H GLU 4 H GLU 4 5.064 -5.115 8.295 24 HA GLU 4 HA GLU 4 7.344 -5.878 6.690 25 1HB GLU 4 2HB GLU 4 6.712 -6.792 8.994 26 2HB GLU 4 1HB GLU 4 5.491 -7.761 8.167 27 1HG GLU 4 2HG GLU 4 7.282 -8.721 6.721 28 2HG GLU 4 1HG GLU 4 8.480 -7.823 7.654 29 H ASP 5 H ASP 5 3.952 -7.023 6.723 30 HA ASP 5 HA ASP 5 4.277 -8.533 4.269 31 1HB ASP 5 2HB ASP 5 1.726 -7.550 5.585 32 2HB ASP 5 1HB ASP 5 1.853 -8.835 4.385 33 H PHE 6 H PHE 6 2.834 -5.380 5.083 34 HA PHE 6 HA PHE 6 1.821 -4.659 2.567 35 1HB PHE 6 2HB PHE 6 1.525 -3.278 4.586 36 2HB PHE 6 1HB PHE 6 3.243 -2.882 4.575 37 HD1 PHE 6 1HD PHE 6 -0.009 -2.286 2.991 38 HD2 PHE 6 2HD PHE 6 4.201 -1.453 2.806 39 HE1 PHE 6 1HE PHE 6 -0.447 -0.420 1.417 40 HE2 PHE 6 2HE PHE 6 3.763 0.413 1.231 41 HZ PHE 6 HZ PHE 6 1.438 0.930 0.537 42 H ARG 7 H ARG 7 5.063 -3.756 3.808 43 HA ARG 7 HA ARG 7 6.097 -2.651 1.463 44 1HB ARG 7 2HB ARG 7 7.262 -2.702 3.673 45 2HB ARG 7 1HB ARG 7 7.633 -4.406 3.405 46 1HG ARG 7 2HG ARG 7 8.854 -3.811 1.339 47 2HG ARG 7 1HG ARG 7 8.496 -2.106 1.624 48 1HD ARG 7 2HD ARG 7 10.055 -3.899 3.508 49 2HD ARG 7 1HD ARG 7 10.764 -2.708 2.422 50 HE ARG 7 HE ARG 7 8.924 -1.254 3.907 51 1HH1 ARG 7 1HH2 ARG 7 11.557 -3.379 4.568 52 2HH1 ARG 7 2HH2 ARG 7 11.977 -2.607 6.061 53 1HH2 ARG 7 1HH1 ARG 7 9.456 -0.236 5.849 54 2HH2 ARG 7 2HH1 ARG 7 10.786 -0.828 6.787 55 H ALA 8 H ALA 8 5.767 -6.069 2.300 56 HA ALA 8 HA ALA 8 7.297 -7.060 0.061 57 1HB ALA 8 1HB ALA 8 6.770 -8.394 2.106 58 2HB ALA 8 2HB ALA 8 6.319 -9.226 0.617 59 3HB ALA 8 3HB ALA 8 5.081 -8.444 1.601 60 H VAL 9 H VAL 9 3.931 -6.109 0.485 61 HA VAL 9 HA VAL 9 2.992 -7.377 -1.941 62 HB VAL 9 HB VAL 9 1.810 -5.116 -0.308 63 1HG1 VAL 9 1HG1 VAL 9 -0.315 -5.904 -1.490 64 2HG1 VAL 9 2HG1 VAL 9 0.742 -6.763 -2.611 65 3HG1 VAL 9 3HG1 VAL 9 0.831 -5.006 -2.485 66 1HG2 VAL 9 1HG2 VAL 9 2.171 -7.481 0.703 67 2HG2 VAL 9 2HG2 VAL 9 0.909 -7.996 -0.418 68 3HG2 VAL 9 3HG2 VAL 9 0.556 -6.781 0.811 69 1HN PF5 10 H PF5 10 3.803 -3.955 -1.182 70 HA PF5 10 HA PF5 10 3.644 -3.395 -4.096 71 1HB PF5 10 1HB PF5 10 3.635 -1.042 -3.451 72 2HB PF5 10 2HB PF5 10 3.989 -1.477 -1.774 73 H GLY 11 H GLY 11 5.967 -3.578 -1.474 74 1HA GLY 11 2HA GLY 11 8.309 -4.003 -1.912 75 2HA GLY 11 1HA GLY 11 8.116 -3.255 -3.497 76 H MET 12 H MET 12 6.534 -1.421 -1.165 77 HA MET 12 HA MET 12 8.941 0.178 -0.495 78 1HB MET 12 2HB MET 12 7.597 2.268 -1.154 79 2HB MET 12 1HB MET 12 8.263 1.308 -2.476 80 1HG MET 12 2HG MET 12 5.490 0.751 -1.444 81 2HG MET 12 1HG MET 12 5.763 2.045 -2.610 82 1HE MET 12 1HE MET 12 4.766 0.067 -5.478 83 2HE MET 12 2HE MET 12 5.607 1.581 -5.156 84 3HE MET 12 3HE MET 12 4.230 1.119 -4.161 85 H THR 13 H THR 13 8.264 1.997 1.080 86 HA THR 13 HA THR 13 6.576 0.775 3.148 87 HB THR 13 HB THR 13 7.227 2.910 4.408 88 HG1 THR 13 1HG THR 13 7.709 4.181 2.620 89 1HG2 THR 13 1HG2 THR 13 9.417 1.126 3.308 90 2HG2 THR 13 2HG2 THR 13 8.410 0.777 4.713 91 3HG2 THR 13 3HG2 THR 13 9.547 2.125 4.756 92 H ARG 14 H ARG 14 4.789 1.996 4.163 93 HA ARG 14 HA ARG 14 2.842 2.909 2.345 94 1HB ARG 14 2HB ARG 14 3.201 3.481 5.296 95 2HB ARG 14 1HB ARG 14 1.778 3.990 4.387 96 1HG ARG 14 2HG ARG 14 2.643 1.131 4.177 97 2HG ARG 14 1HG ARG 14 1.820 1.649 5.649 98 1HD ARG 14 2HD ARG 14 -0.040 2.559 4.266 99 2HD ARG 14 1HD ARG 14 0.775 1.981 2.820 100 HE ARG 14 HE ARG 14 0.560 -0.276 4.431 101 1HH1 ARG 14 1HH2 ARG 14 -1.599 2.144 3.233 102 2HH1 ARG 14 2HH2 ARG 14 -2.950 1.066 3.122 103 1HH2 ARG 14 1HH1 ARG 14 -1.200 -1.685 4.296 104 2HH2 ARG 14 2HH1 ARG 14 -2.723 -1.097 3.722 105 H SER 15 H SER 15 5.514 4.635 3.811 106 HA SER 15 HA SER 15 4.602 7.303 3.548 107 1HB SER 15 2HB SER 15 7.423 6.323 3.017 108 2HB SER 15 1HB SER 15 6.944 7.953 3.484 109 HG SER 15 HG SER 15 6.074 5.881 5.112 110 H ALA 16 H ALA 16 6.297 5.251 1.168 111 HA ALA 16 HA ALA 16 6.087 7.260 -0.929 112 1HB ALA 16 1HB ALA 16 6.545 4.314 -1.389 113 2HB ALA 16 2HB ALA 16 7.816 5.339 -0.722 114 3HB ALA 16 3HB ALA 16 7.156 5.680 -2.322 115 H PHE 17 H PHE 17 4.462 4.143 -0.265 116 HA PHE 17 HA PHE 17 2.675 4.188 -2.462 117 1HB PHE 17 2HB PHE 17 3.062 2.298 -0.771 118 2HB PHE 17 1HB PHE 17 1.941 3.156 0.286 119 HD1 PHE 17 1HD PHE 17 2.229 1.902 -3.238 120 HD2 PHE 17 2HD PHE 17 -0.354 2.750 0.090 121 HE1 PHE 17 1HE PHE 17 0.312 0.926 -4.475 122 HE2 PHE 17 2HE PHE 17 -2.269 1.774 -1.149 123 HZ PHE 17 HZ PHE 17 -1.935 0.862 -3.430 124 H ALA 18 H ALA 18 2.489 5.768 0.699 125 HA ALA 18 HA ALA 18 -0.213 6.639 0.576 126 1HB ALA 18 1HB ALA 18 1.155 6.866 2.607 127 2HB ALA 18 2HB ALA 18 0.510 8.436 2.129 128 3HB ALA 18 3HB ALA 18 2.193 8.036 1.792 129 H ASN 19 H ASN 19 2.513 7.544 -1.298 130 HA ASN 19 HA ASN 19 1.894 10.241 -1.948 131 1HB ASN 19 2HB ASN 19 3.162 8.091 -3.675 132 2HB ASN 19 1HB ASN 19 3.203 9.821 -4.016 133 1HD2 ASN 19 1HD2 ASN 19 5.624 8.367 -3.592 134 2HD2 ASN 19 2HD2 ASN 19 6.319 8.889 -2.134 135 H LEU 20 H LEU 20 0.593 7.199 -3.208 136 HA LEU 20 HA LEU 20 -0.788 8.305 -5.469 137 1HB LEU 20 2HB LEU 20 -1.547 5.895 -3.790 138 2HB LEU 20 1HB LEU 20 -2.091 6.232 -5.433 139 HG LEU 20 HG LEU 20 0.801 5.822 -4.613 140 1HD1 LEU 20 1HD1 LEU 20 -1.283 4.010 -5.834 141 2HD1 LEU 20 2HD1 LEU 20 -0.226 3.694 -4.457 142 3HD1 LEU 20 3HD1 LEU 20 0.439 3.729 -6.091 143 1HD2 LEU 20 1HD2 LEU 20 0.881 5.530 -7.230 144 2HD2 LEU 20 2HD2 LEU 20 0.887 7.152 -6.537 145 3HD2 LEU 20 3HD2 LEU 20 -0.606 6.479 -7.189 146 HA PRO 21 HA PRO 21 -4.222 10.614 -3.932 147 1HB PRO 21 2HB PRO 21 -5.863 8.600 -5.458 148 2HB PRO 21 1HB PRO 21 -6.030 10.369 -5.400 149 1HG PRO 21 2HG PRO 21 -4.858 9.241 -7.466 150 2HG PRO 21 1HG PRO 21 -4.178 10.717 -6.753 151 1HD PRO 21 2HD PRO 21 -3.176 7.904 -6.553 152 2HD PRO 21 1HD PRO 21 -2.263 9.429 -6.563 153 H LEU 22 H LEU 22 -5.616 10.519 -2.169 154 HA LEU 22 HA LEU 22 -5.402 8.369 -0.336 155 1HB LEU 22 2HB LEU 22 -6.022 10.711 0.252 156 2HB LEU 22 1HB LEU 22 -7.605 10.447 -0.477 157 HG LEU 22 HG LEU 22 -7.943 8.523 1.102 158 1HD1 LEU 22 1HD1 LEU 22 -5.846 7.810 1.809 159 2HD1 LEU 22 2HD1 LEU 22 -6.328 8.806 3.182 160 3HD1 LEU 22 3HD1 LEU 22 -5.226 9.452 1.966 161 1HD2 LEU 22 1HD2 LEU 22 -8.332 9.962 3.091 162 2HD2 LEU 22 2HD2 LEU 22 -8.876 10.741 1.605 163 3HD2 LEU 22 3HD2 LEU 22 -7.353 11.227 2.350 164 H TRP 23 H TRP 23 -7.917 9.054 -2.752 165 HA TRP 23 HA TRP 23 -9.630 6.893 -1.805 166 1HB TRP 23 2HB TRP 23 -11.028 7.428 -3.711 167 2HB TRP 23 1HB TRP 23 -10.482 8.938 -2.982 168 HD1 TRP 23 HD TRP 23 -9.011 10.517 -4.405 169 HE1 TRP 23 1HE TRP 23 -8.136 10.456 -6.829 170 HE3 TRP 23 3HE TRP 23 -10.181 5.704 -5.642 171 HZ2 TRP 23 2HZ TRP 23 -7.955 8.607 -9.005 172 HZ3 TRP 23 3HZ TRP 23 -9.647 4.819 -7.894 173 HH2 TRP 23 HH TRP 23 -8.537 6.263 -9.576 174 H ARG 24 H ARG 24 -7.145 7.244 -4.283 175 HA ARG 24 HA ARG 24 -7.768 4.837 -5.723 176 1HB ARG 24 2HB ARG 24 -6.316 6.661 -6.606 177 2HB ARG 24 1HB ARG 24 -5.077 6.199 -5.438 178 1HG ARG 24 2HG ARG 24 -4.931 3.967 -6.414 179 2HG ARG 24 1HG ARG 24 -6.245 4.342 -7.530 180 1HD ARG 24 2HD ARG 24 -4.704 5.104 -8.981 181 2HD ARG 24 1HD ARG 24 -4.372 6.419 -7.849 182 HE ARG 24 HE ARG 24 -2.857 4.351 -6.847 183 1HH1 ARG 24 1HH2 ARG 24 -3.295 5.793 -9.946 184 2HH1 ARG 24 2HH2 ARG 24 -1.664 5.513 -10.456 185 1HH2 ARG 24 1HH1 ARG 24 -0.722 3.978 -7.493 186 2HH2 ARG 24 2HH1 ARG 24 -0.206 4.485 -9.066 187 H GLN 25 H GLN 25 -5.416 5.475 -3.093 188 HA GLN 25 HA GLN 25 -4.187 2.974 -2.975 189 1HB GLN 25 2HB GLN 25 -4.108 3.393 -0.432 190 2HB GLN 25 1HB GLN 25 -3.379 4.614 -1.478 191 1HG GLN 25 2HG GLN 25 -5.387 5.997 -1.342 192 2HG GLN 25 1HG GLN 25 -6.213 4.754 -0.400 193 1HE2 GLN 25 1HE2 GLN 25 -3.621 7.177 -0.278 194 2HE2 GLN 25 2HE2 GLN 25 -3.459 7.172 1.412 195 H GLN 26 H GLN 26 -7.350 3.874 -1.560 196 HA GLN 26 HA GLN 26 -7.849 1.310 -0.365 197 1HB GLN 26 2HB GLN 26 -9.796 3.375 -1.440 198 2HB GLN 26 1HB GLN 26 -10.251 1.986 -0.453 199 1HG GLN 26 2HG GLN 26 -8.779 2.798 1.362 200 2HG GLN 26 1HG GLN 26 -8.353 4.200 0.380 201 1HE2 GLN 26 1HE2 GLN 26 -9.345 5.537 2.160 202 2HE2 GLN 26 2HE2 GLN 26 -11.033 5.716 2.216 203 H ASN 27 H ASN 27 -8.365 2.625 -3.595 204 HA ASN 27 HA ASN 27 -9.906 0.457 -4.657 205 1HB ASN 27 2HB ASN 27 -9.497 2.753 -5.707 206 2HB ASN 27 1HB ASN 27 -7.921 2.138 -6.209 207 1HD2 ASN 27 1HD2 ASN 27 -8.788 2.431 -8.487 208 2HD2 ASN 27 2HD2 ASN 27 -9.776 1.216 -9.143 209 H LEU 28 H LEU 28 -6.391 1.121 -4.859 210 HA LEU 28 HA LEU 28 -5.781 -1.428 -6.074 211 1HB LEU 28 2HB LEU 28 -3.927 0.384 -4.504 212 2HB LEU 28 1HB LEU 28 -3.458 -0.844 -5.679 213 HG LEU 28 HG LEU 28 -5.045 1.675 -6.256 214 1HD1 LEU 28 1HD1 LEU 28 -2.236 0.772 -6.959 215 2HD1 LEU 28 2HD1 LEU 28 -2.684 2.137 -5.938 216 3HD1 LEU 28 3HD1 LEU 28 -3.025 2.181 -7.668 217 1HD2 LEU 28 1HD2 LEU 28 -5.893 0.106 -7.786 218 2HD2 LEU 28 2HD2 LEU 28 -4.361 -0.761 -7.892 219 3HD2 LEU 28 3HD2 LEU 28 -4.543 0.809 -8.677 220 H ARG 29 H ARG 29 -5.946 -0.284 -2.731 221 HA ARG 29 HA ARG 29 -4.667 -2.657 -1.646 222 1HB ARG 29 2HB ARG 29 -6.268 -0.412 -0.410 223 2HB ARG 29 1HB ARG 29 -5.642 -1.761 0.540 224 1HG ARG 29 2HG ARG 29 -3.358 -1.253 -0.191 225 2HG ARG 29 1HG ARG 29 -3.957 0.052 -1.213 226 1HD ARG 29 2HD ARG 29 -4.211 -0.086 1.806 227 2HD ARG 29 1HD ARG 29 -3.097 0.947 0.912 228 HE ARG 29 HE ARG 29 -5.584 1.607 -0.117 229 1HH1 ARG 29 1HH2 ARG 29 -4.149 1.393 3.014 230 2HH1 ARG 29 2HH2 ARG 29 -5.126 2.653 3.691 231 1HH2 ARG 29 1HH1 ARG 29 -6.863 3.250 0.750 232 2HH2 ARG 29 2HH1 ARG 29 -6.662 3.704 2.408 233 H ARG 30 H ARG 30 -8.075 -1.617 -2.006 234 HA ARG 30 HA ARG 30 -9.147 -3.941 -0.679 235 1HB ARG 30 2HB ARG 30 -10.322 -1.991 -2.670 236 2HB ARG 30 1HB ARG 30 -11.254 -3.336 -2.010 237 1HG ARG 30 2HG ARG 30 -10.777 -2.515 0.285 238 2HG ARG 30 1HG ARG 30 -9.903 -1.146 -0.403 239 1HD ARG 30 2HD ARG 30 -12.837 -1.785 -0.833 240 2HD ARG 30 1HD ARG 30 -12.193 -0.474 0.154 241 HE ARG 30 HE ARG 30 -11.078 -0.032 -2.344 242 1HH1 ARG 30 1HH2 ARG 30 -14.245 -0.526 -1.071 243 2HH1 ARG 30 2HH2 ARG 30 -15.021 0.463 -2.263 244 1HH2 ARG 30 1HH1 ARG 30 -12.073 1.260 -3.905 245 2HH2 ARG 30 2HH1 ARG 30 -13.791 1.474 -3.867 246 H GLU 31 H GLU 31 -8.212 -3.251 -4.017 247 HA GLU 31 HA GLU 31 -9.340 -5.513 -5.298 248 1HB GLU 31 2HB GLU 31 -8.110 -3.601 -6.417 249 2HB GLU 31 1HB GLU 31 -6.603 -4.340 -5.881 250 1HG GLU 31 2HG GLU 31 -7.009 -5.089 -8.136 251 2HG GLU 31 1HG GLU 31 -7.324 -6.453 -7.063 252 H ARG 32 H ARG 32 -6.647 -5.231 -3.102 253 HA ARG 32 HA ARG 32 -5.876 -8.059 -3.642 254 1HB ARG 32 2HB ARG 32 -4.447 -5.770 -2.281 255 2HB ARG 32 1HB ARG 32 -3.866 -7.434 -2.202 256 1HG ARG 32 2HG ARG 32 -3.626 -7.545 -4.595 257 2HG ARG 32 1HG ARG 32 -4.446 -5.998 -4.803 258 1HD ARG 32 2HD ARG 32 -2.415 -5.342 -3.063 259 2HD ARG 32 1HD ARG 32 -1.647 -6.551 -4.091 260 HE ARG 32 HE ARG 32 -2.102 -3.900 -4.892 261 1HH1 ARG 32 1HH2 ARG 32 -2.882 -7.100 -5.913 262 2HH1 ARG 32 2HH2 ARG 32 -2.945 -6.690 -7.595 263 1HH2 ARG 32 1HH1 ARG 32 -2.179 -3.348 -7.081 264 2HH2 ARG 32 2HH1 ARG 32 -2.547 -4.565 -8.257 265 H GLY 33 H GLY 33 -7.938 -6.456 -1.633 266 1HA GLY 33 2HA GLY 33 -9.092 -7.370 0.235 267 2HA GLY 33 1HA GLY 33 -7.909 -8.677 0.284 268 H LEU 34 H LEU 34 -6.174 -5.859 0.081 269 HA LEU 34 HA LEU 34 -5.553 -5.976 2.966 270 1HB LEU 34 2HB LEU 34 -4.287 -4.145 0.923 271 2HB LEU 34 1HB LEU 34 -3.606 -4.711 2.447 272 HG LEU 34 HG LEU 34 -4.158 -6.369 -0.029 273 1HD1 LEU 34 1HD1 LEU 34 -1.638 -5.570 1.457 274 2HD1 LEU 34 2HD1 LEU 34 -2.094 -5.111 -0.184 275 3HD1 LEU 34 3HD1 LEU 34 -1.680 -6.787 0.180 276 1HD2 LEU 34 1HD2 LEU 34 -3.023 -8.174 1.431 277 2HD2 LEU 34 2HD2 LEU 34 -4.709 -7.797 1.787 278 3HD2 LEU 34 3HD2 LEU 34 -3.425 -7.137 2.801 279 H PHE 35 H PHE 35 -7.096 -3.837 0.645 280 HA PHE 35 HA PHE 35 -8.062 -1.699 0.945 281 1HB PHE 35 2HB PHE 35 -9.772 -1.724 2.607 282 2HB PHE 35 1HB PHE 35 -9.594 -3.402 2.098 283 HD1 PHE 35 1HD PHE 35 -8.707 -0.946 4.741 284 HD2 PHE 35 2HD PHE 35 -8.796 -5.087 3.600 285 HE1 PHE 35 1HE PHE 35 -8.172 -1.601 7.074 286 HE2 PHE 35 2HE PHE 35 -8.262 -5.740 5.932 287 HZ PHE 35 HZ PHE 35 -7.951 -3.998 7.669 Start of MODEL 20 1 1H LEU 1 1HT LEU 1 0.828 -0.910 10.321 2 2H LEU 1 2HT LEU 1 2.004 -1.754 11.212 3 3H LEU 1 3HT LEU 1 0.632 -1.124 11.992 4 HA LEU 1 HA LEU 1 -0.240 -3.150 11.772 5 1HB LEU 1 2HB LEU 1 -0.342 -2.026 8.973 6 2HB LEU 1 1HB LEU 1 -1.070 -3.586 9.358 7 HG LEU 1 HG LEU 1 -2.390 -2.488 11.164 8 1HD1 LEU 1 1HD1 LEU 1 -0.937 -0.068 10.095 9 2HD1 LEU 1 2HD1 LEU 1 -1.101 -0.600 11.769 10 3HD1 LEU 1 3HD1 LEU 1 -2.488 0.087 10.922 11 1HD2 LEU 1 1HD2 LEU 1 -3.970 -1.374 9.672 12 2HD2 LEU 1 2HD2 LEU 1 -3.288 -2.773 8.843 13 3HD2 LEU 1 3HD2 LEU 1 -2.711 -1.151 8.458 14 H SER 2 H SER 2 1.462 -3.110 8.633 15 HA SER 2 HA SER 2 3.266 -5.249 9.592 16 1HB SER 2 2HB SER 2 1.688 -5.698 7.063 17 2HB SER 2 1HB SER 2 2.602 -6.869 8.009 18 HG SER 2 HG SER 2 0.034 -6.206 8.211 19 H ASP 3 H ASP 3 4.638 -3.237 9.203 20 HA ASP 3 HA ASP 3 5.045 -2.163 6.597 21 1HB ASP 3 2HB ASP 3 7.174 -1.342 7.448 22 2HB ASP 3 1HB ASP 3 5.961 -1.184 8.719 23 H GLU 4 H GLU 4 6.273 -5.065 8.167 24 HA GLU 4 HA GLU 4 8.252 -5.681 6.149 25 1HB GLU 4 2HB GLU 4 8.082 -6.657 8.521 26 2HB GLU 4 1HB GLU 4 6.815 -7.702 7.879 27 1HG GLU 4 2HG GLU 4 8.876 -8.929 7.712 28 2HG GLU 4 1HG GLU 4 8.456 -8.410 6.078 29 H ASP 5 H ASP 5 4.943 -6.888 6.763 30 HA ASP 5 HA ASP 5 4.871 -8.404 4.285 31 1HB ASP 5 2HB ASP 5 3.470 -8.767 6.442 32 2HB ASP 5 1HB ASP 5 2.437 -7.484 5.811 33 H PHE 6 H PHE 6 3.424 -5.328 5.371 34 HA PHE 6 HA PHE 6 2.023 -4.625 3.050 35 1HB PHE 6 2HB PHE 6 1.950 -3.274 5.095 36 2HB PHE 6 1HB PHE 6 3.640 -2.818 4.874 37 HD1 PHE 6 1HD PHE 6 0.196 -2.235 3.823 38 HD2 PHE 6 2HD PHE 6 4.315 -1.399 2.936 39 HE1 PHE 6 1HE PHE 6 -0.501 -0.358 2.358 40 HE2 PHE 6 2HE PHE 6 3.617 0.477 1.470 41 HZ PHE 6 HZ PHE 6 1.211 0.998 1.183 42 H ARG 7 H ARG 7 5.390 -3.645 3.803 43 HA ARG 7 HA ARG 7 6.002 -2.438 1.354 44 1HB ARG 7 2HB ARG 7 7.498 -2.465 3.347 45 2HB ARG 7 1HB ARG 7 7.874 -4.155 3.015 46 1HG ARG 7 2HG ARG 7 8.817 -3.560 0.844 47 2HG ARG 7 1HG ARG 7 8.347 -1.875 1.073 48 1HD ARG 7 2HD ARG 7 10.671 -2.020 1.654 49 2HD ARG 7 1HD ARG 7 9.781 -1.874 3.167 50 HE ARG 7 HE ARG 7 10.004 -4.614 2.776 51 1HH1 ARG 7 1HH2 ARG 7 12.143 -1.911 2.874 52 2HH1 ARG 7 2HH2 ARG 7 13.481 -2.825 3.487 53 1HH2 ARG 7 1HH1 ARG 7 11.737 -5.820 3.573 54 2HH2 ARG 7 2HH1 ARG 7 13.250 -5.039 3.883 55 H ALA 8 H ALA 8 6.055 -5.889 2.175 56 HA ALA 8 HA ALA 8 7.224 -6.765 -0.303 57 1HB ALA 8 1HB ALA 8 5.373 -8.250 1.586 58 2HB ALA 8 2HB ALA 8 7.131 -8.185 1.724 59 3HB ALA 8 3HB ALA 8 6.382 -8.988 0.343 60 H VAL 9 H VAL 9 3.945 -5.922 0.628 61 HA VAL 9 HA VAL 9 2.657 -7.257 -1.588 62 HB VAL 9 HB VAL 9 1.738 -4.977 0.180 63 1HG1 VAL 9 1HG1 VAL 9 0.468 -4.850 -1.854 64 2HG1 VAL 9 2HG1 VAL 9 -0.546 -5.695 -0.683 65 3HG1 VAL 9 3HG1 VAL 9 0.305 -6.605 -1.932 66 1HG2 VAL 9 1HG2 VAL 9 0.594 -6.653 1.427 67 2HG2 VAL 9 2HG2 VAL 9 2.205 -7.317 1.148 68 3HG2 VAL 9 3HG2 VAL 9 0.842 -7.866 0.170 69 1HN PF5 10 H PF5 10 3.393 -3.768 -1.054 70 HA PF5 10 HA PF5 10 2.944 -3.386 -3.974 71 1HB PF5 10 1HB PF5 10 2.565 -1.074 -3.485 72 2HB PF5 10 2HB PF5 10 3.258 -1.239 -1.865 73 H GLY 11 H GLY 11 5.485 -3.867 -1.856 74 1HA GLY 11 2HA GLY 11 7.802 -3.740 -2.259 75 2HA GLY 11 1HA GLY 11 7.432 -3.136 -3.875 76 H MET 12 H MET 12 5.938 -1.455 -1.268 77 HA MET 12 HA MET 12 8.109 0.566 -1.179 78 1HB MET 12 2HB MET 12 5.844 0.870 -2.823 79 2HB MET 12 1HB MET 12 5.540 1.885 -1.412 80 1HG MET 12 2HG MET 12 6.744 3.248 -2.974 81 2HG MET 12 1HG MET 12 7.894 2.804 -1.713 82 1HE MET 12 1HE MET 12 6.939 2.891 -5.262 83 2HE MET 12 2HE MET 12 6.371 1.239 -5.035 84 3HE MET 12 3HE MET 12 7.750 1.552 -6.085 85 H THR 13 H THR 13 7.833 2.068 0.636 86 HA THR 13 HA THR 13 6.652 0.755 2.958 87 HB THR 13 HB THR 13 7.410 2.924 4.103 88 HG1 THR 13 1HG THR 13 7.386 4.164 2.171 89 1HG2 THR 13 1HG2 THR 13 9.469 1.355 2.528 90 2HG2 THR 13 2HG2 THR 13 8.751 0.835 4.051 91 3HG2 THR 13 3HG2 THR 13 9.769 2.274 4.002 92 H ARG 14 H ARG 14 4.936 1.639 4.262 93 HA ARG 14 HA ARG 14 2.668 2.577 2.884 94 1HB ARG 14 2HB ARG 14 3.426 2.917 5.800 95 2HB ARG 14 1HB ARG 14 1.826 3.273 5.150 96 1HG ARG 14 2HG ARG 14 1.700 0.918 4.306 97 2HG ARG 14 1HG ARG 14 3.230 0.586 5.119 98 1HD ARG 14 2HD ARG 14 0.686 1.533 6.479 99 2HD ARG 14 1HD ARG 14 1.333 -0.101 6.538 100 HE ARG 14 HE ARG 14 3.426 1.491 7.439 101 1HH1 ARG 14 1HH2 ARG 14 0.087 1.089 8.237 102 2HH1 ARG 14 2HH2 ARG 14 0.314 1.440 9.919 103 1HH2 ARG 14 1HH1 ARG 14 3.730 1.957 9.628 104 2HH2 ARG 14 2HH1 ARG 14 2.372 1.929 10.704 105 H SER 15 H SER 15 5.380 4.375 4.221 106 HA SER 15 HA SER 15 4.125 6.968 4.165 107 1HB SER 15 2HB SER 15 7.069 6.320 3.827 108 2HB SER 15 1HB SER 15 6.383 7.867 4.318 109 HG SER 15 HG SER 15 5.573 5.675 5.793 110 H ALA 16 H ALA 16 6.151 5.206 1.821 111 HA ALA 16 HA ALA 16 5.954 7.303 -0.185 112 1HB ALA 16 1HB ALA 16 6.894 5.531 -1.703 113 2HB ALA 16 2HB ALA 16 6.788 4.392 -0.360 114 3HB ALA 16 3HB ALA 16 7.854 5.793 -0.247 115 H PHE 17 H PHE 17 4.213 4.316 0.552 116 HA PHE 17 HA PHE 17 2.686 4.115 -1.839 117 1HB PHE 17 2HB PHE 17 2.820 2.448 0.114 118 2HB PHE 17 1HB PHE 17 1.612 3.458 0.909 119 HD1 PHE 17 1HD PHE 17 2.278 1.689 -2.326 120 HD2 PHE 17 2HD PHE 17 -0.666 3.138 0.448 121 HE1 PHE 17 1HE PHE 17 0.490 0.599 -3.654 122 HE2 PHE 17 2HE PHE 17 -2.454 2.048 -0.882 123 HZ PHE 17 HZ PHE 17 -1.876 0.778 -2.932 124 H ALA 18 H ALA 18 2.259 6.107 1.049 125 HA ALA 18 HA ALA 18 -0.384 7.035 0.498 126 1HB ALA 18 1HB ALA 18 0.775 7.418 2.655 127 2HB ALA 18 2HB ALA 18 0.190 8.930 1.963 128 3HB ALA 18 3HB ALA 18 1.899 8.511 1.847 129 H ASN 19 H ASN 19 2.472 7.464 -1.243 130 HA ASN 19 HA ASN 19 2.166 10.154 -2.187 131 1HB ASN 19 2HB ASN 19 3.440 7.743 -3.519 132 2HB ASN 19 1HB ASN 19 3.633 9.413 -4.055 133 1HD2 ASN 19 1HD2 ASN 19 5.837 7.745 -3.117 134 2HD2 ASN 19 2HD2 ASN 19 6.447 8.465 -1.706 135 H LEU 20 H LEU 20 0.747 7.087 -3.224 136 HA LEU 20 HA LEU 20 -0.334 8.085 -5.715 137 1HB LEU 20 2HB LEU 20 -1.576 5.844 -4.133 138 2HB LEU 20 1HB LEU 20 -1.423 6.008 -5.883 139 HG LEU 20 HG LEU 20 0.783 5.414 -3.893 140 1HD1 LEU 20 1HD1 LEU 20 -0.523 3.470 -4.558 141 2HD1 LEU 20 2HD1 LEU 20 1.042 3.403 -5.367 142 3HD1 LEU 20 3HD1 LEU 20 -0.390 3.920 -6.258 143 1HD2 LEU 20 1HD2 LEU 20 1.869 6.849 -5.397 144 2HD2 LEU 20 2HD2 LEU 20 0.857 6.352 -6.753 145 3HD2 LEU 20 3HD2 LEU 20 2.115 5.272 -6.150 146 HA PRO 21 HA PRO 21 -3.856 10.505 -4.636 147 1HB PRO 21 2HB PRO 21 -5.413 8.439 -6.179 148 2HB PRO 21 1HB PRO 21 -5.522 10.212 -6.251 149 1HG PRO 21 2HG PRO 21 -4.214 8.923 -8.127 150 2HG PRO 21 1HG PRO 21 -3.539 10.414 -7.443 151 1HD PRO 21 2HD PRO 21 -2.691 7.578 -6.968 152 2HD PRO 21 1HD PRO 21 -1.703 9.054 -7.027 153 H LEU 22 H LEU 22 -5.079 10.538 -2.806 154 HA LEU 22 HA LEU 22 -5.191 8.465 -0.942 155 1HB LEU 22 2HB LEU 22 -5.729 10.844 -0.467 156 2HB LEU 22 1HB LEU 22 -7.266 10.646 -1.309 157 HG LEU 22 HG LEU 22 -7.855 8.820 0.295 158 1HD1 LEU 22 1HD1 LEU 22 -6.360 9.029 2.473 159 2HD1 LEU 22 2HD1 LEU 22 -5.133 9.551 1.318 160 3HD1 LEU 22 3HD1 LEU 22 -5.875 7.958 1.158 161 1HD2 LEU 22 1HD2 LEU 22 -7.145 11.527 1.469 162 2HD2 LEU 22 2HD2 LEU 22 -8.200 10.350 2.252 163 3HD2 LEU 22 3HD2 LEU 22 -8.675 11.076 0.717 164 H TRP 23 H TRP 23 -7.693 9.282 -3.364 165 HA TRP 23 HA TRP 23 -9.492 7.197 -2.507 166 1HB TRP 23 2HB TRP 23 -10.749 7.708 -4.501 167 2HB TRP 23 1HB TRP 23 -10.136 9.230 -3.852 168 HD1 TRP 23 HD TRP 23 -8.423 10.571 -5.271 169 HE1 TRP 23 1HE TRP 23 -7.466 10.285 -7.649 170 HE3 TRP 23 3HE TRP 23 -10.031 5.837 -6.306 171 HZ2 TRP 23 2HZ TRP 23 -7.394 8.310 -9.715 172 HZ3 TRP 23 3HZ TRP 23 -9.506 4.778 -8.483 173 HH2 TRP 23 HH TRP 23 -8.190 6.006 -10.188 174 H ARG 24 H ARG 24 -7.022 7.361 -5.070 175 HA ARG 24 HA ARG 24 -7.612 4.839 -6.262 176 1HB ARG 24 2HB ARG 24 -6.129 6.565 -7.276 177 2HB ARG 24 1HB ARG 24 -4.910 6.193 -6.055 178 1HG ARG 24 2HG ARG 24 -4.731 3.907 -6.843 179 2HG ARG 24 1HG ARG 24 -6.072 4.146 -7.962 180 1HD ARG 24 2HD ARG 24 -4.277 4.470 -9.393 181 2HD ARG 24 1HD ARG 24 -4.551 6.127 -8.847 182 HE ARG 24 HE ARG 24 -2.749 5.124 -7.003 183 1HH1 ARG 24 1HH2 ARG 24 -2.958 5.306 -10.439 184 2HH1 ARG 24 2HH2 ARG 24 -1.249 5.462 -10.669 185 1HH2 ARG 24 1HH1 ARG 24 -0.514 5.328 -7.283 186 2HH2 ARG 24 2HH1 ARG 24 0.136 5.475 -8.882 187 H GLN 25 H GLN 25 -5.398 5.670 -3.582 188 HA GLN 25 HA GLN 25 -4.121 3.213 -3.244 189 1HB GLN 25 2HB GLN 25 -5.144 5.127 -1.135 190 2HB GLN 25 1HB GLN 25 -4.085 3.762 -0.781 191 1HG GLN 25 2HG GLN 25 -2.395 4.652 -2.346 192 2HG GLN 25 1HG GLN 25 -3.451 6.017 -2.713 193 1HE2 GLN 25 1HE2 GLN 25 -2.062 4.402 0.205 194 2HE2 GLN 25 2HE2 GLN 25 -1.749 5.849 1.036 195 H GLN 26 H GLN 26 -7.403 4.100 -2.141 196 HA GLN 26 HA GLN 26 -7.937 1.608 -0.817 197 1HB GLN 26 2HB GLN 26 -9.830 3.534 -2.200 198 2HB GLN 26 1HB GLN 26 -10.342 2.193 -1.173 199 1HG GLN 26 2HG GLN 26 -9.121 3.155 0.728 200 2HG GLN 26 1HG GLN 26 -8.554 4.479 -0.292 201 1HE2 GLN 26 1HE2 GLN 26 -10.109 5.037 2.023 202 2HE2 GLN 26 2HE2 GLN 26 -11.629 5.619 1.538 203 H ASN 27 H ASN 27 -8.275 2.698 -4.161 204 HA ASN 27 HA ASN 27 -9.604 0.409 -5.215 205 1HB ASN 27 2HB ASN 27 -9.125 2.637 -6.383 206 2HB ASN 27 1HB ASN 27 -7.498 2.022 -6.676 207 1HD2 ASN 27 1HD2 ASN 27 -7.276 0.932 -8.631 208 2HD2 ASN 27 2HD2 ASN 27 -8.535 0.158 -9.466 209 H LEU 28 H LEU 28 -6.106 1.141 -5.009 210 HA LEU 28 HA LEU 28 -5.307 -1.465 -5.986 211 1HB LEU 28 2HB LEU 28 -3.675 0.457 -4.306 212 2HB LEU 28 1HB LEU 28 -3.066 -0.797 -5.386 213 HG LEU 28 HG LEU 28 -4.578 1.707 -6.180 214 1HD1 LEU 28 1HD1 LEU 28 -2.437 2.071 -7.491 215 2HD1 LEU 28 2HD1 LEU 28 -1.749 0.710 -6.607 216 3HD1 LEU 28 3HD1 LEU 28 -2.252 2.160 -5.738 217 1HD2 LEU 28 1HD2 LEU 28 -5.361 0.084 -7.701 218 2HD2 LEU 28 2HD2 LEU 28 -3.828 -0.788 -7.699 219 3HD2 LEU 28 3HD2 LEU 28 -3.961 0.760 -8.532 220 H ARG 29 H ARG 29 -5.921 -0.111 -2.776 221 HA ARG 29 HA ARG 29 -4.796 -2.452 -1.426 222 1HB ARG 29 2HB ARG 29 -6.346 -0.046 -0.452 223 2HB ARG 29 1HB ARG 29 -5.826 -1.348 0.620 224 1HG ARG 29 2HG ARG 29 -3.478 -0.992 -0.132 225 2HG ARG 29 1HG ARG 29 -4.023 0.366 -1.116 226 1HD ARG 29 2HD ARG 29 -4.406 0.168 1.884 227 2HD ARG 29 1HD ARG 29 -3.115 1.078 1.103 228 HE ARG 29 HE ARG 29 -5.429 2.053 -0.076 229 1HH1 ARG 29 1HH2 ARG 29 -4.248 1.611 3.136 230 2HH1 ARG 29 2HH2 ARG 29 -5.111 2.967 3.778 231 1HH2 ARG 29 1HH1 ARG 29 -6.557 3.822 0.745 232 2HH2 ARG 29 2HH1 ARG 29 -6.420 4.220 2.425 233 H ARG 30 H ARG 30 -8.128 -1.151 -1.838 234 HA ARG 30 HA ARG 30 -9.419 -3.333 -0.536 235 1HB ARG 30 2HB ARG 30 -10.518 -1.166 -1.219 236 2HB ARG 30 1HB ARG 30 -10.530 -1.761 -2.880 237 1HG ARG 30 2HG ARG 30 -11.883 -3.687 -2.217 238 2HG ARG 30 1HG ARG 30 -11.802 -3.191 -0.526 239 1HD ARG 30 2HD ARG 30 -13.080 -1.610 -2.778 240 2HD ARG 30 1HD ARG 30 -13.939 -2.489 -1.514 241 HE ARG 30 HE ARG 30 -12.808 0.139 -1.237 242 1HH1 ARG 30 1HH2 ARG 30 -13.249 -2.890 0.353 243 2HH1 ARG 30 2HH2 ARG 30 -13.223 -2.208 1.945 244 1HH2 ARG 30 1HH1 ARG 30 -12.770 1.045 0.830 245 2HH2 ARG 30 2HH1 ARG 30 -12.951 0.021 2.215 246 H GLU 31 H GLU 31 -8.529 -2.862 -3.957 247 HA GLU 31 HA GLU 31 -9.605 -5.316 -4.942 248 1HB GLU 31 2HB GLU 31 -8.688 -3.401 -6.332 249 2HB GLU 31 1HB GLU 31 -7.070 -3.959 -5.911 250 1HG GLU 31 2HG GLU 31 -9.075 -5.872 -7.083 251 2HG GLU 31 1HG GLU 31 -8.145 -4.803 -8.133 252 H ARG 32 H ARG 32 -6.857 -4.626 -2.961 253 HA ARG 32 HA ARG 32 -5.444 -7.109 -3.578 254 1HB ARG 32 2HB ARG 32 -4.434 -4.877 -2.746 255 2HB ARG 32 1HB ARG 32 -4.969 -5.395 -1.147 256 1HG ARG 32 2HG ARG 32 -2.852 -6.326 -1.169 257 2HG ARG 32 1HG ARG 32 -3.774 -7.660 -1.865 258 1HD ARG 32 2HD ARG 32 -3.273 -6.641 -4.150 259 2HD ARG 32 1HD ARG 32 -2.119 -5.592 -3.327 260 HE ARG 32 HE ARG 32 -1.424 -8.147 -2.492 261 1HH1 ARG 32 1HH2 ARG 32 -1.924 -6.535 -5.499 262 2HH1 ARG 32 2HH2 ARG 32 -0.758 -7.487 -6.355 263 1HH2 ARG 32 1HH1 ARG 32 0.101 -9.399 -3.592 264 2HH2 ARG 32 2HH1 ARG 32 0.389 -9.109 -5.276 265 H GLY 33 H GLY 33 -7.963 -6.156 -1.378 266 1HA GLY 33 2HA GLY 33 -9.292 -7.768 -0.169 267 2HA GLY 33 1HA GLY 33 -7.958 -8.915 -0.289 268 H LEU 34 H LEU 34 -6.472 -6.137 0.561 269 HA LEU 34 HA LEU 34 -6.383 -6.953 3.402 270 1HB LEU 34 2HB LEU 34 -4.842 -4.755 1.990 271 2HB LEU 34 1HB LEU 34 -4.492 -5.433 3.580 272 HG LEU 34 HG LEU 34 -4.445 -6.989 0.976 273 1HD1 LEU 34 1HD1 LEU 34 -2.605 -5.264 1.337 274 2HD1 LEU 34 2HD1 LEU 34 -2.054 -6.927 1.139 275 3HD1 LEU 34 3HD1 LEU 34 -2.118 -6.204 2.747 276 1HD2 LEU 34 1HD2 LEU 34 -4.030 -7.690 3.874 277 2HD2 LEU 34 2HD2 LEU 34 -3.171 -8.590 2.624 278 3HD2 LEU 34 3HD2 LEU 34 -4.934 -8.566 2.639 279 H PHE 35 H PHE 35 -8.235 -4.886 1.549 280 HA PHE 35 HA PHE 35 -9.236 -3.518 3.938 281 1HB PHE 35 2HB PHE 35 -7.756 -2.051 1.752 282 2HB PHE 35 1HB PHE 35 -8.940 -1.240 2.776 283 HD1 PHE 35 1HD PHE 35 -5.599 -2.705 2.602 284 HD2 PHE 35 2HD PHE 35 -8.586 -1.097 5.236 285 HE1 PHE 35 1HE PHE 35 -3.895 -2.467 4.389 286 HE2 PHE 35 2HE PHE 35 -6.883 -0.858 7.023 287 HZ PHE 35 HZ PHE 35 -4.538 -1.545 6.599
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