NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627141 | 5xht | 36075 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HN GLU 1 1.791 5.233 3.744 2 HA GLU 1 HA GLU 1 0.453 3.073 2.548 3 HB2 GLU 1 2HB GLU 1 2.641 3.157 1.043 4 HB3 GLU 1 3HB GLU 1 1.398 4.396 0.944 5 HG2 GLU 1 2HG GLU 1 2.666 5.921 2.204 6 HG3 GLU 1 3HG GLU 1 3.783 4.669 2.742 7 H MET 2 HN MET 2 0.618 1.507 4.322 8 HA MET 2 HA MET 2 3.204 0.102 4.362 9 HB2 MET 2 2HB MET 2 0.982 0.306 6.377 10 HB3 MET 2 3HB MET 2 2.144 -1.012 6.443 11 HG2 MET 2 2HG MET 2 3.741 1.210 6.203 12 HG3 MET 2 3HG MET 2 2.424 1.767 7.233 13 HE1 MET 2 1HE MET 2 5.406 1.644 8.844 14 HE2 MET 2 2HE MET 2 6.066 0.023 8.628 15 HE3 MET 2 3HE MET 2 5.627 0.991 7.219 16 H CYS 3 HN CYS 3 3.292 -1.653 3.140 17 HA CYS 3 HA CYS 3 1.220 -2.823 1.760 18 HB2 CYS 3 2HB CYS 3 3.613 -3.233 1.300 19 HB3 CYS 3 3HB CYS 3 3.715 -4.212 2.761 20 H ASP 4 HN ASP 4 -0.533 -3.864 2.405 21 HA ASP 4 HA ASP 4 -0.982 -4.697 5.057 22 HB2 ASP 4 2HB ASP 4 -2.678 -4.114 3.176 23 HB3 ASP 4 3HB ASP 4 -2.521 -5.810 2.729 24 H VAL 5 HN VAL 5 0.888 -6.106 2.692 25 HA VAL 5 HA VAL 5 0.491 -8.822 3.749 26 HB VAL 5 HB VAL 5 1.942 -7.949 1.246 27 HG11 VAL 5 1HG1 VAL 5 1.816 -10.430 0.744 28 HG12 VAL 5 2HG1 VAL 5 2.963 -9.943 1.994 29 HG13 VAL 5 3HG1 VAL 5 1.414 -10.655 2.447 30 HG21 VAL 5 1HG2 VAL 5 -0.824 -8.964 1.760 31 HG22 VAL 5 2HG2 VAL 5 -0.294 -7.630 0.736 32 HG23 VAL 5 3HG2 VAL 5 -0.027 -9.296 0.221 33 H CYS 6 HN CYS 6 2.543 -6.150 3.928 34 HA CYS 6 HA CYS 6 4.606 -7.791 5.224 35 HB2 CYS 6 2HB CYS 6 5.147 -5.480 3.346 36 HB3 CYS 6 3HB CYS 6 6.364 -6.364 4.260 37 H GLU 7 HN GLU 7 3.635 -4.405 4.650 38 HA GLU 7 HA GLU 7 3.113 -2.764 6.178 39 HB2 GLU 7 2HB GLU 7 4.104 -4.457 8.447 40 HB3 GLU 7 3HB GLU 7 2.865 -3.210 8.456 41 HG2 GLU 7 2HG GLU 7 2.001 -5.242 6.694 42 HG3 GLU 7 3HG GLU 7 2.571 -6.021 8.168 43 H VAL 8 HN VAL 8 5.223 -2.306 4.835 44 HA VAL 8 HA VAL 8 7.023 -0.996 6.632 45 HB VAL 8 HB VAL 8 8.904 -2.365 5.108 46 HG11 VAL 8 1HG1 VAL 8 8.174 -3.132 7.917 47 HG12 VAL 8 2HG1 VAL 8 9.773 -3.047 7.174 48 HG13 VAL 8 3HG1 VAL 8 8.887 -1.564 7.539 49 HG21 VAL 8 1HG2 VAL 8 8.486 -4.716 5.494 50 HG22 VAL 8 2HG2 VAL 8 6.947 -4.345 6.273 51 HG23 VAL 8 3HG2 VAL 8 7.164 -4.026 4.551 52 H TRP 9 HN TRP 9 7.098 0.917 5.657 53 HA TRP 9 HA TRP 9 7.265 1.021 2.727 54 HB2 TRP 9 2HB TRP 9 5.542 2.443 3.208 55 HB3 TRP 9 3HB TRP 9 6.159 2.821 4.813 56 HD1 TRP 9 1HD TRP 9 7.748 4.917 5.054 57 HE1 TRP 9 1HE TRP 9 8.368 6.842 3.462 58 HE3 TRP 9 3HE TRP 9 5.960 2.961 0.683 59 HZ2 TRP 9 2HZ TRP 9 8.129 7.451 0.716 60 HZ3 TRP 9 3HZ TRP 9 6.195 4.279 -1.382 61 HH2 TRP 9 2HH TRP 9 7.258 6.477 -1.364 62 H THR 10 HN THR 10 8.628 2.803 1.821 63 HA THR 10 HA THR 10 10.963 3.461 3.456 64 HB THR 10 HB THR 10 12.152 2.889 1.046 65 HG1 THR 10 1HG THR 10 11.080 1.339 0.098 66 HG21 THR 10 1HG2 THR 10 11.944 1.481 3.668 67 HG22 THR 10 2HG2 THR 10 13.336 2.259 2.915 68 HG23 THR 10 3HG2 THR 10 12.787 0.685 2.340 69 H ALA 11 HN ALA 11 10.766 3.658 -0.040 70 HA ALA 11 HA ALA 11 9.641 6.101 -0.488 71 HB1 ALA 11 1HB ALA 11 12.363 6.354 0.672 72 HB2 ALA 11 2HB ALA 11 11.908 7.455 -0.630 73 HB3 ALA 11 3HB ALA 11 10.952 7.399 0.851 74 H GLU 12 HN GLU 12 12.298 3.950 -1.198 75 HA GLU 12 HA GLU 12 13.337 4.666 -3.544 76 HB2 GLU 12 2HB GLU 12 12.166 1.915 -3.458 77 HB3 GLU 12 3HB GLU 12 13.747 2.435 -4.025 78 HG2 GLU 12 2HG GLU 12 14.106 3.039 -1.501 79 HG3 GLU 12 3HG GLU 12 12.817 1.861 -1.260 80 H SER 13 HN SER 13 10.195 2.989 -3.355 81 HA SER 13 HA SER 13 8.675 4.513 -4.975 82 HB2 SER 13 2HB SER 13 10.729 3.118 -6.555 83 HB3 SER 13 3HB SER 13 9.085 2.924 -7.166 84 HG SER 13 HG SER 13 10.671 5.201 -7.002 85 H LEU 14 HN LEU 14 7.657 3.208 -3.153 86 HA LEU 14 HA LEU 14 7.085 0.485 -3.391 87 HB2 LEU 14 2HB LEU 14 6.705 1.996 -1.400 88 HB3 LEU 14 3HB LEU 14 5.235 2.540 -2.206 89 HG LEU 14 HG LEU 14 4.282 0.328 -2.057 90 HD11 LEU 14 1HD1 LEU 14 7.041 -0.406 -1.222 91 HD12 LEU 14 2HD1 LEU 14 5.924 -1.243 -2.299 92 HD13 LEU 14 3HD1 LEU 14 5.683 -1.311 -0.553 93 HD21 LEU 14 1HD2 LEU 14 5.491 1.016 0.615 94 HD22 LEU 14 2HD2 LEU 14 3.964 0.191 0.302 95 HD23 LEU 14 3HD2 LEU 14 4.146 1.897 -0.111 96 H PHE 15 HN PHE 15 4.840 -0.413 -3.747 97 HA PHE 15 HA PHE 15 3.340 0.993 -5.824 98 HB2 PHE 15 2HB PHE 15 3.551 -1.799 -6.525 99 HB3 PHE 15 3HB PHE 15 3.916 -0.378 -7.498 100 HD1 PHE 15 1HD PHE 15 6.066 -0.111 -8.248 101 HD2 PHE 15 2HD PHE 15 5.384 -2.359 -4.698 102 HE1 PHE 15 1HE PHE 15 8.465 -0.647 -8.130 103 HE2 PHE 15 2HE PHE 15 7.782 -2.898 -4.574 104 HZ PHE 15 HZ PHE 15 9.325 -2.041 -6.292 105 HA PRO 16 HA PRO 16 1.720 0.109 -7.327 106 HB2 PRO 16 2HB PRO 16 -0.772 1.187 -7.361 107 HB3 PRO 16 3HB PRO 16 -0.463 -0.529 -7.653 108 HG2 PRO 16 2HG PRO 16 -1.373 0.831 -5.147 109 HG3 PRO 16 3HG PRO 16 -1.947 -0.682 -5.869 110 HD2 PRO 16 2HD PRO 16 -0.214 -0.626 -3.790 111 HD3 PRO 16 3HD PRO 16 -0.183 -1.902 -5.023 112 H CYS 17 HN CYS 17 0.140 1.942 -4.701 113 HA CYS 17 HA CYS 17 1.938 4.175 -5.171 114 HB2 CYS 17 2HB CYS 17 0.252 5.805 -5.580 115 HB3 CYS 17 3HB CYS 17 -0.059 4.481 -6.697 116 H ARG 18 HN ARG 18 0.065 5.955 -3.700 117 HA ARG 18 HA ARG 18 -0.035 4.692 -1.066 118 HB2 ARG 18 2HB ARG 18 1.348 6.202 0.003 119 HB3 ARG 18 3HB ARG 18 2.174 6.011 -1.538 120 HG2 ARG 18 2HG ARG 18 0.239 8.239 -0.955 121 HG3 ARG 18 3HG ARG 18 1.983 8.362 -0.710 122 HD2 ARG 18 2HD ARG 18 1.320 7.329 -3.337 123 HD3 ARG 18 3HD ARG 18 0.594 8.909 -3.046 124 HE ARG 18 HE ARG 18 3.305 8.402 -3.588 125 HH11 ARG 18 1HH1 ARG 18 1.288 10.326 -1.502 126 HH12 ARG 18 2HH1 ARG 18 2.451 11.599 -1.334 127 HH21 ARG 18 1HH2 ARG 18 4.845 10.072 -3.373 128 HH22 ARG 18 2HH2 ARG 18 4.474 11.454 -2.399 129 H VAL 19 HN VAL 19 -0.819 7.445 -3.122 130 HA VAL 19 HA VAL 19 -2.537 8.836 -1.441 131 HB VAL 19 HB VAL 19 -2.561 8.510 -4.437 132 HG11 VAL 19 1HG1 VAL 19 -4.334 10.223 -2.706 133 HG12 VAL 19 2HG1 VAL 19 -4.087 10.505 -4.429 134 HG13 VAL 19 3HG1 VAL 19 -4.823 9.000 -3.879 135 HG21 VAL 19 1HG2 VAL 19 -2.033 11.127 -3.837 136 HG22 VAL 19 2HG2 VAL 19 -1.243 10.272 -2.512 137 HG23 VAL 19 3HG2 VAL 19 -0.819 9.895 -4.182 138 H CYS 20 HN CYS 20 -3.191 6.069 -3.544 139 HA CYS 20 HA CYS 20 -5.903 5.900 -3.516 140 HB2 CYS 20 2HB CYS 20 -3.725 3.885 -3.521 141 HB3 CYS 20 3HB CYS 20 -5.342 3.293 -3.157 142 H THR 21 HN THR 21 -4.269 3.693 -1.307 143 HA THR 21 HA THR 21 -5.293 4.756 1.097 144 HB THR 21 HB THR 21 -7.476 4.167 0.617 145 HG1 THR 21 1HG THR 21 -7.876 2.222 1.811 146 HG21 THR 21 1HG2 THR 21 -7.828 3.030 -1.274 147 HG22 THR 21 2HG2 THR 21 -7.586 1.557 -0.333 148 HG23 THR 21 3HG2 THR 21 -6.232 2.282 -1.199 149 H ARG 22 HN ARG 22 -4.510 1.737 -0.600 150 HA ARG 22 HA ARG 22 -2.733 1.044 1.638 151 HB2 ARG 22 2HB ARG 22 -4.770 -0.690 0.271 152 HB3 ARG 22 3HB ARG 22 -3.352 -1.399 1.034 153 HG2 ARG 22 2HG ARG 22 -4.315 0.280 2.981 154 HG3 ARG 22 3HG ARG 22 -5.784 -0.339 2.223 155 HD2 ARG 22 2HD ARG 22 -5.258 -2.553 2.732 156 HD3 ARG 22 3HD ARG 22 -3.554 -2.185 2.996 157 HE ARG 22 HE ARG 22 -5.693 -1.964 4.906 158 HH11 ARG 22 1HH1 ARG 22 -2.511 -0.862 4.025 159 HH12 ARG 22 2HH1 ARG 22 -2.079 -0.406 5.639 160 HH21 ARG 22 1HH2 ARG 22 -5.137 -1.368 7.036 161 HH22 ARG 22 2HH2 ARG 22 -3.573 -0.695 7.352 162 H VAL 23 HN VAL 23 -1.072 -0.592 1.008 163 HA VAL 23 HA VAL 23 -0.279 -0.234 -1.810 164 HB VAL 23 HB VAL 23 2.070 -0.364 -1.067 165 HG11 VAL 23 1HG1 VAL 23 0.428 1.794 -1.028 166 HG12 VAL 23 2HG1 VAL 23 1.092 1.842 0.606 167 HG13 VAL 23 3HG1 VAL 23 2.173 1.864 -0.787 168 HG21 VAL 23 1HG2 VAL 23 0.767 -0.871 1.520 169 HG22 VAL 23 2HG2 VAL 23 2.340 -1.395 0.919 170 HG23 VAL 23 3HG2 VAL 23 2.143 0.233 1.569 171 H PHE 24 HN PHE 24 0.744 -1.969 -2.849 172 HA PHE 24 HA PHE 24 0.847 -4.524 -1.429 173 HB2 PHE 24 2HB PHE 24 -0.238 -4.900 -4.090 174 HB3 PHE 24 3HB PHE 24 -0.844 -5.485 -2.543 175 HD1 PHE 24 1HD PHE 24 -1.979 -3.586 -1.063 176 HD2 PHE 24 2HD PHE 24 -1.587 -3.501 -5.300 177 HE1 PHE 24 1HE PHE 24 -3.862 -2.008 -1.203 178 HE2 PHE 24 2HE PHE 24 -3.467 -1.922 -5.447 179 HZ PHE 24 HZ PHE 24 -4.607 -1.173 -3.397 180 H HIS 25 HN HIS 25 2.879 -5.161 -1.680 181 HA HIS 25 HA HIS 25 4.684 -4.261 -3.587 182 HB2 HIS 25 2HB HIS 25 4.687 -6.877 -2.069 183 HB3 HIS 25 3HB HIS 25 6.067 -6.226 -2.948 184 HD2 HIS 25 2HD HIS 25 4.776 -3.190 -1.379 185 HE1 HIS 25 1HE HIS 25 7.106 -4.982 1.681 186 HE2 HIS 25 2HE HIS 25 5.874 -2.912 0.947 187 H ASP 26 HN ASP 26 4.844 -4.596 -5.695 188 HA ASP 26 HA ASP 26 3.158 -6.026 -7.280 189 HB2 ASP 26 2HB ASP 26 4.971 -4.401 -8.003 190 HB3 ASP 26 3HB ASP 26 6.097 -5.752 -7.916 191 H GLY 27 HN GLY 27 5.685 -7.277 -5.298 192 HA2 GLY 27 1HA GLY 27 5.719 -9.851 -6.673 193 HA3 GLY 27 2HA GLY 27 6.727 -9.385 -5.312 194 H CYS 28 HN CYS 28 4.474 -8.411 -3.727 195 HA CYS 28 HA CYS 28 3.871 -10.748 -2.313 196 HB2 CYS 28 2HB CYS 28 2.990 -7.924 -2.241 197 HB3 CYS 28 3HB CYS 28 1.884 -9.088 -1.518 198 H LEU 29 HN LEU 29 1.775 -8.813 -4.449 199 HA LEU 29 HA LEU 29 -0.512 -10.351 -4.324 200 HB2 LEU 29 2HB LEU 29 0.571 -8.958 -6.767 201 HB3 LEU 29 3HB LEU 29 -1.105 -9.429 -6.492 202 HG LEU 29 HG LEU 29 0.255 -7.511 -4.635 203 HD11 LEU 29 1HD1 LEU 29 -0.777 -5.702 -6.070 204 HD12 LEU 29 2HD1 LEU 29 -0.908 -6.916 -7.342 205 HD13 LEU 29 3HD1 LEU 29 0.676 -6.471 -6.708 206 HD21 LEU 29 1HD2 LEU 29 -1.891 -8.414 -3.959 207 HD22 LEU 29 2HD2 LEU 29 -2.604 -7.936 -5.499 208 HD23 LEU 29 3HD2 LEU 29 -2.053 -6.705 -4.362 209 H ARG 30 HN ARG 30 2.452 -10.945 -6.070 210 HA ARG 30 HA ARG 30 1.301 -13.198 -7.509 211 HB2 ARG 30 2HB ARG 30 4.030 -11.916 -7.522 212 HB3 ARG 30 3HB ARG 30 3.685 -13.409 -8.384 213 HG2 ARG 30 2HG ARG 30 2.299 -12.364 -9.911 214 HG3 ARG 30 3HG ARG 30 2.006 -10.983 -8.850 215 HD2 ARG 30 2HD ARG 30 3.441 -10.164 -10.512 216 HD3 ARG 30 3HD ARG 30 4.486 -10.462 -9.124 217 HE ARG 30 HE ARG 30 4.689 -12.762 -10.501 218 HH11 ARG 30 1HH1 ARG 30 4.982 -9.425 -11.448 219 HH12 ARG 30 2HH1 ARG 30 6.118 -9.748 -12.715 220 HH21 ARG 30 1HH2 ARG 30 6.183 -13.201 -12.168 221 HH22 ARG 30 2HH2 ARG 30 6.799 -11.897 -13.124 222 H ARG 31 HN ARG 31 3.281 -12.538 -4.729 223 HA ARG 31 HA ARG 31 4.214 -15.251 -4.448 224 HB2 ARG 31 2HB ARG 31 5.244 -12.950 -3.590 225 HB3 ARG 31 3HB ARG 31 4.285 -13.336 -2.167 226 HG2 ARG 31 2HG ARG 31 5.461 -15.377 -1.832 227 HG3 ARG 31 3HG ARG 31 6.275 -15.230 -3.390 228 HD2 ARG 31 2HD ARG 31 7.892 -14.539 -1.867 229 HD3 ARG 31 3HD ARG 31 7.208 -13.023 -2.453 230 HE ARG 31 HE ARG 31 5.758 -13.677 -0.208 231 HH11 ARG 31 1HH1 ARG 31 9.099 -13.056 -0.963 232 HH12 ARG 31 2HH1 ARG 31 9.472 -12.423 0.607 233 HH21 ARG 31 1HH2 ARG 31 6.236 -12.846 1.862 234 HH22 ARG 31 2HH2 ARG 31 7.842 -12.306 2.213 235 H MET 32 HN MET 32 1.409 -13.500 -3.604 236 HA MET 32 HA MET 32 0.676 -15.409 -1.507 237 HB2 MET 32 2HB MET 32 -0.712 -12.879 -2.408 238 HB3 MET 32 3HB MET 32 -1.206 -13.888 -1.055 239 HG2 MET 32 2HG MET 32 1.553 -12.764 -1.115 240 HG3 MET 32 3HG MET 32 0.199 -11.731 -0.662 241 HE1 MET 32 1HE MET 32 -1.774 -13.486 1.092 242 HE2 MET 32 2HE MET 32 -1.046 -13.083 2.646 243 HE3 MET 32 3HE MET 32 -1.146 -11.862 1.377 244 H GLY 33 HN GLY 33 -0.028 -14.531 -4.786 245 HA2 GLY 33 1HA GLY 33 -1.049 -16.050 -6.302 246 HA3 GLY 33 2HA GLY 33 -1.878 -16.801 -4.946 247 H TYR 34 HN TYR 34 -1.904 -13.384 -4.965 248 HA TYR 34 HA TYR 34 -4.731 -13.276 -5.143 249 HB2 TYR 34 2HB TYR 34 -2.539 -11.241 -5.006 250 HB3 TYR 34 3HB TYR 34 -4.171 -10.721 -5.415 251 HD1 TYR 34 1HD TYR 34 -5.987 -11.996 -3.756 252 HD2 TYR 34 2HD TYR 34 -1.987 -10.904 -2.802 253 HE1 TYR 34 1HE TYR 34 -6.575 -11.951 -1.367 254 HE2 TYR 34 2HE TYR 34 -2.564 -10.858 -0.411 255 HH TYR 34 HH TYR 34 -5.295 -10.517 0.815 256 H ILE 35 HN ILE 35 -2.528 -11.399 -7.199 257 HA ILE 35 HA ILE 35 -4.425 -11.552 -9.384 258 HB ILE 35 HB ILE 35 -2.953 -10.002 -10.548 259 HG12 ILE 35 2HG1 ILE 35 -0.995 -9.122 -8.988 260 HG13 ILE 35 3HG1 ILE 35 -1.080 -10.760 -8.351 261 HG21 ILE 35 1HG2 ILE 35 -4.520 -9.390 -8.504 262 HG22 ILE 35 2HG2 ILE 35 -2.986 -8.882 -7.800 263 HG23 ILE 35 3HG2 ILE 35 -3.537 -8.173 -9.318 264 HD11 ILE 35 1HD1 ILE 35 -1.080 -11.045 -11.123 265 HD12 ILE 35 2HD1 ILE 35 0.120 -9.802 -10.771 266 HD13 ILE 35 3HD1 ILE 35 0.240 -11.386 -10.006 267 H GLN 36 HN GLN 36 -3.869 -12.252 -11.516 268 HA GLN 36 HA GLN 36 -1.492 -13.899 -11.824 269 HB2 GLN 36 2HB GLN 36 -4.253 -14.964 -11.616 270 HB3 GLN 36 3HB GLN 36 -3.233 -15.650 -12.874 271 HG2 GLN 36 2HG GLN 36 -1.708 -16.507 -11.346 272 HG3 GLN 36 3HG GLN 36 -2.261 -15.443 -10.054 273 HE21 GLN 36 1HE2 GLN 36 -2.207 -18.531 -10.967 274 HE22 GLN 36 2HE2 GLN 36 -3.661 -19.109 -10.234 275 H GLY 37 HN GLY 37 -1.454 -11.753 -13.154 276 HA2 GLY 37 1HA GLY 37 -1.255 -12.241 -15.798 277 HA3 GLY 37 2HA GLY 37 -2.959 -11.850 -15.624 278 H ASP 38 HN ASP 38 -2.040 -10.169 -17.218 279 HA ASP 38 HA ASP 38 -0.573 -7.986 -16.063 280 HB2 ASP 38 2HB ASP 38 -2.131 -7.626 -18.577 281 HB3 ASP 38 3HB ASP 38 -0.497 -7.102 -18.183 282 H SER 39 HN SER 39 -1.805 -7.321 -14.287 283 HA SER 39 HA SER 39 -4.446 -6.181 -14.883 284 HB2 SER 39 2HB SER 39 -3.860 -7.866 -12.898 285 HB3 SER 39 3HB SER 39 -3.436 -6.360 -12.084 286 HG SER 39 HG SER 39 -5.933 -7.122 -13.176 287 H ALA 40 HN ALA 40 -2.289 -4.750 -15.833 288 HA ALA 40 HA ALA 40 -2.751 -2.198 -14.752 289 HB1 ALA 40 1HB ALA 40 -1.244 -3.356 -12.985 290 HB2 ALA 40 2HB ALA 40 0.051 -3.047 -14.143 291 HB3 ALA 40 3HB ALA 40 -0.883 -1.704 -13.484 292 H ALA 41 HN ALA 41 -0.511 -0.811 -15.422 293 HA ALA 41 HA ALA 41 -0.354 -1.297 -18.309 294 HB1 ALA 41 1HB ALA 41 -0.814 1.012 -16.835 295 HB2 ALA 41 2HB ALA 41 0.839 1.182 -17.427 296 HB3 ALA 41 3HB ALA 41 -0.480 0.907 -18.565 297 H GLU 42 HN GLU 42 1.482 -1.605 -15.476 298 HA GLU 42 HA GLU 42 3.756 -1.726 -15.065 299 HB2 GLU 42 2HB GLU 42 4.023 -3.459 -17.456 300 HB3 GLU 42 3HB GLU 42 4.489 -3.762 -15.788 301 HG2 GLU 42 2HG GLU 42 2.235 -4.281 -15.182 302 HG3 GLU 42 3HG GLU 42 1.645 -3.781 -16.766 303 H VAL 43 HN VAL 43 3.120 0.519 -16.753 304 HA VAL 43 HA VAL 43 5.364 0.582 -18.642 305 HB VAL 43 HB VAL 43 3.197 1.288 -19.533 306 HG11 VAL 43 1HG1 VAL 43 3.114 3.807 -18.026 307 HG12 VAL 43 2HG1 VAL 43 1.802 2.744 -18.539 308 HG13 VAL 43 3HG1 VAL 43 2.729 2.365 -17.087 309 HG21 VAL 43 1HG2 VAL 43 3.905 3.586 -20.317 310 HG22 VAL 43 2HG2 VAL 43 5.301 3.421 -19.253 311 HG23 VAL 43 3HG2 VAL 43 5.068 2.287 -20.583 312 H THR 44 HN THR 44 4.139 2.066 -15.718 313 HA THR 44 HA THR 44 6.724 3.023 -14.995 314 HB THR 44 HB THR 44 6.011 4.791 -16.621 315 HG1 THR 44 1HG THR 44 6.549 5.311 -13.902 316 HG21 THR 44 1HG2 THR 44 4.141 5.917 -14.620 317 HG22 THR 44 2HG2 THR 44 3.550 4.566 -15.587 318 HG23 THR 44 3HG2 THR 44 4.122 6.033 -16.378 319 H GLU 45 HN GLU 45 6.864 3.509 -12.826 320 HA GLU 45 HA GLU 45 4.380 3.140 -11.289 321 HB2 GLU 45 2HB GLU 45 7.248 2.495 -10.609 322 HB3 GLU 45 3HB GLU 45 5.957 2.483 -9.417 323 HG2 GLU 45 2HG GLU 45 5.262 0.477 -10.052 324 HG3 GLU 45 3HG GLU 45 5.263 0.932 -11.756 325 H MET 46 HN MET 46 7.387 4.263 -9.921 326 HA MET 46 HA MET 46 7.969 6.177 -8.841 327 HB2 MET 46 2HB MET 46 6.041 7.435 -10.801 328 HB3 MET 46 3HB MET 46 7.183 8.319 -9.798 329 HG2 MET 46 2HG MET 46 8.996 6.939 -10.924 330 HG3 MET 46 3HG MET 46 7.755 6.464 -12.081 331 HE1 MET 46 1HE MET 46 10.397 9.410 -13.339 332 HE2 MET 46 2HE MET 46 10.656 8.234 -12.050 333 HE3 MET 46 3HE MET 46 10.042 7.705 -13.618 334 H ALA 47 HN ALA 47 7.260 6.000 -6.792 335 HA ALA 47 HA ALA 47 4.452 6.301 -6.147 336 HB1 ALA 47 1HB ALA 47 6.466 6.180 -3.985 337 HB2 ALA 47 2HB ALA 47 4.929 5.330 -4.158 338 HB3 ALA 47 3HB ALA 47 6.349 4.774 -5.045 339 H HIS 48 HN HIS 48 6.149 8.566 -7.203 340 HA HIS 48 HA HIS 48 5.183 10.555 -5.328 341 HB2 HIS 48 2HB HIS 48 7.350 10.237 -4.384 342 HB3 HIS 48 3HB HIS 48 8.112 10.218 -5.971 343 HD1 HIS 48 1HD HIS 48 9.445 12.272 -6.235 344 HD2 HIS 48 2HD HIS 48 5.880 13.004 -4.229 345 HE1 HIS 48 1HE HIS 48 9.412 14.750 -5.805 346 H THR 49 HN THR 49 7.754 11.165 -7.610 347 HA THR 49 HA THR 49 6.820 13.293 -8.907 348 HB THR 49 HB THR 49 7.792 12.066 -11.095 349 HG1 THR 49 1HG THR 49 9.513 10.768 -9.488 350 HG21 THR 49 1HG2 THR 49 8.687 14.008 -9.637 351 HG22 THR 49 2HG2 THR 49 9.828 13.096 -10.624 352 HG23 THR 49 3HG2 THR 49 9.704 12.773 -8.896 353 H GLU 50 HN GLU 50 5.163 13.874 -10.165 354 HA GLU 50 HA GLU 50 2.861 12.499 -10.506 355 HB2 GLU 50 2HB GLU 50 3.815 14.917 -11.395 356 HB3 GLU 50 3HB GLU 50 3.522 14.059 -12.901 357 HG2 GLU 50 2HG GLU 50 1.275 14.040 -12.621 358 HG3 GLU 50 3HG GLU 50 1.382 13.960 -10.864 359 H THR 51 HN THR 51 1.932 11.128 -12.003 360 HA THR 51 HA THR 51 3.055 10.311 -14.430 361 HB THR 51 HB THR 51 3.456 7.847 -13.246 362 HG1 THR 51 1HG THR 51 3.551 9.333 -11.238 363 HG21 THR 51 1HG2 THR 51 5.088 8.160 -14.749 364 HG22 THR 51 2HG2 THR 51 5.991 8.926 -13.443 365 HG23 THR 51 3HG2 THR 51 5.040 9.912 -14.553 366 H GLY 52 HN GLY 52 2.246 7.745 -14.726 367 HA2 GLY 52 1HA GLY 52 -0.646 7.986 -14.278 368 HA3 GLY 52 2HA GLY 52 0.125 6.979 -15.494 369 H TRP 53 HN TRP 53 0.286 7.317 -11.945 370 HA TRP 53 HA TRP 53 0.771 4.536 -11.558 371 HB2 TRP 53 2HB TRP 53 0.307 5.113 -9.127 372 HB3 TRP 53 3HB TRP 53 1.617 6.004 -9.896 373 HD1 TRP 53 1HD TRP 53 -1.558 7.423 -11.077 374 HE1 TRP 53 1HE TRP 53 -2.136 9.575 -9.790 375 HE3 TRP 53 3HE TRP 53 1.786 6.992 -7.234 376 HZ2 TRP 53 2HZ TRP 53 -1.287 10.913 -7.453 377 HZ3 TRP 53 3HZ TRP 53 1.839 8.750 -5.514 378 HH2 TRP 53 2HH TRP 53 0.334 10.670 -5.624 379 H SER 54 HN SER 54 -0.887 3.379 -12.534 380 HA SER 54 HA SER 54 -3.636 3.868 -11.751 381 HB2 SER 54 2HB SER 54 -3.527 1.468 -13.192 382 HB3 SER 54 3HB SER 54 -3.958 3.059 -13.818 383 HG SER 54 HG SER 54 -2.281 2.451 -15.056 384 H CYS 55 HN CYS 55 -4.968 2.357 -10.687 385 HA CYS 55 HA CYS 55 -3.785 -0.001 -9.499 386 HB2 CYS 55 2HB CYS 55 -5.018 1.883 -7.538 387 HB3 CYS 55 3HB CYS 55 -3.810 0.629 -7.279 388 H HIS 56 HN HIS 56 -5.568 -0.783 -7.723 389 HA HIS 56 HA HIS 56 -7.851 -1.434 -9.286 390 HB2 HIS 56 2HB HIS 56 -7.355 -1.855 -6.331 391 HB3 HIS 56 3HB HIS 56 -8.631 -2.620 -7.273 392 HD1 HIS 56 1HD HIS 56 -5.669 -2.521 -9.298 393 HD2 HIS 56 2HD HIS 56 -7.080 -4.956 -6.242 394 HE1 HIS 56 1HE HIS 56 -4.342 -4.650 -9.468 395 H TYR 57 HN TYR 57 -7.325 0.696 -6.505 396 HA TYR 57 HA TYR 57 -10.091 1.624 -6.665 397 HB2 TYR 57 2HB TYR 57 -7.900 2.219 -4.666 398 HB3 TYR 57 3HB TYR 57 -9.534 2.871 -4.582 399 HD1 TYR 57 1HD TYR 57 -11.465 1.229 -4.352 400 HD2 TYR 57 2HD TYR 57 -7.403 0.112 -3.760 401 HE1 TYR 57 1HE TYR 57 -12.200 -0.759 -3.103 402 HE2 TYR 57 2HE TYR 57 -8.125 -1.879 -2.511 403 HH TYR 57 HH TYR 57 -11.068 -2.279 -1.233 404 H CYS 58 HN CYS 58 -7.009 2.463 -7.781 405 HA CYS 58 HA CYS 58 -6.974 5.230 -7.718 406 HB2 CYS 58 2HB CYS 58 -5.515 3.185 -9.009 407 HB3 CYS 58 3HB CYS 58 -6.005 4.316 -10.267 408 H ASP 59 HN ASP 59 -7.774 3.463 -10.697 409 HA ASP 59 HA ASP 59 -9.531 3.722 -12.160 410 HB2 ASP 59 2HB ASP 59 -10.630 4.751 -9.866 411 HB3 ASP 59 3HB ASP 59 -10.704 6.132 -10.958 412 H ASN 60 HN ASN 60 -8.917 7.032 -10.987 413 HA ASN 60 HA ASN 60 -8.449 8.944 -12.161 414 HB2 ASN 60 2HB ASN 60 -6.301 7.057 -12.371 415 HB3 ASN 60 3HB ASN 60 -6.374 8.007 -13.853 416 HD21 ASN 60 1HD2 ASN 60 -5.536 7.963 -10.555 417 HD22 ASN 60 2HD2 ASN 60 -5.002 9.601 -10.428 Start of MODEL 2 1 H1 GLU 1 HN GLU 1 3.024 4.547 6.930 2 HA GLU 1 HA GLU 1 1.009 2.646 5.942 3 HB2 GLU 1 2HB GLU 1 2.159 5.176 4.865 4 HB3 GLU 1 3HB GLU 1 1.662 3.943 3.714 5 HG2 GLU 1 2HG GLU 1 0.046 5.868 4.737 6 HG3 GLU 1 3HG GLU 1 -0.505 4.349 4.033 7 H MET 2 HN MET 2 2.058 0.714 5.908 8 HA MET 2 HA MET 2 4.307 0.501 4.039 9 HB2 MET 2 2HB MET 2 4.437 -1.292 6.383 10 HB3 MET 2 3HB MET 2 5.732 -0.496 5.499 11 HG2 MET 2 2HG MET 2 5.432 1.522 6.683 12 HG3 MET 2 3HG MET 2 3.896 0.980 7.356 13 HE1 MET 2 1HE MET 2 8.114 0.135 8.767 14 HE2 MET 2 2HE MET 2 7.656 -0.867 7.390 15 HE3 MET 2 3HE MET 2 7.587 0.891 7.262 16 H CYS 3 HN CYS 3 4.409 -1.420 2.887 17 HA CYS 3 HA CYS 3 2.224 -2.658 1.990 18 HB2 CYS 3 2HB CYS 3 4.535 -3.111 1.195 19 HB3 CYS 3 3HB CYS 3 4.787 -4.146 2.597 20 H ASP 4 HN ASP 4 0.566 -3.667 2.887 21 HA ASP 4 HA ASP 4 0.562 -4.555 5.577 22 HB2 ASP 4 2HB ASP 4 -1.425 -3.753 4.160 23 HB3 ASP 4 3HB ASP 4 -1.457 -5.387 3.502 24 H VAL 5 HN VAL 5 1.952 -5.928 2.930 25 HA VAL 5 HA VAL 5 1.519 -8.677 3.894 26 HB VAL 5 HB VAL 5 2.553 -7.739 1.214 27 HG11 VAL 5 1HG1 VAL 5 2.254 -10.179 0.625 28 HG12 VAL 5 2HG1 VAL 5 3.612 -9.803 1.687 29 HG13 VAL 5 3HG1 VAL 5 2.131 -10.491 2.355 30 HG21 VAL 5 1HG2 VAL 5 0.298 -7.341 1.062 31 HG22 VAL 5 2HG2 VAL 5 0.361 -9.029 0.554 32 HG23 VAL 5 3HG2 VAL 5 -0.117 -8.622 2.202 33 H CYS 6 HN CYS 6 3.893 -6.201 3.322 34 HA CYS 6 HA CYS 6 6.009 -8.033 4.246 35 HB2 CYS 6 2HB CYS 6 6.218 -5.551 2.531 36 HB3 CYS 6 3HB CYS 6 7.601 -6.442 3.160 37 H GLU 7 HN GLU 7 4.807 -4.700 4.451 38 HA GLU 7 HA GLU 7 4.727 -3.272 6.239 39 HB2 GLU 7 2HB GLU 7 6.257 -5.249 7.909 40 HB3 GLU 7 3HB GLU 7 5.117 -4.018 8.435 41 HG2 GLU 7 2HG GLU 7 3.306 -5.305 8.000 42 HG3 GLU 7 3HG GLU 7 4.079 -6.135 6.651 43 H VAL 8 HN VAL 8 6.540 -2.757 4.396 44 HA VAL 8 HA VAL 8 8.803 -1.741 5.944 45 HB VAL 8 HB VAL 8 10.011 -2.374 3.549 46 HG11 VAL 8 1HG1 VAL 8 10.876 -2.532 5.899 47 HG12 VAL 8 2HG1 VAL 8 10.075 -4.099 6.018 48 HG13 VAL 8 3HG1 VAL 8 11.363 -3.853 4.838 49 HG21 VAL 8 1HG2 VAL 8 8.017 -3.802 3.036 50 HG22 VAL 8 2HG2 VAL 8 9.558 -4.661 3.043 51 HG23 VAL 8 3HG2 VAL 8 8.461 -4.808 4.415 52 H TRP 9 HN TRP 9 8.673 0.386 5.686 53 HA TRP 9 HA TRP 9 7.869 1.449 3.064 54 HB2 TRP 9 2HB TRP 9 6.363 2.404 4.519 55 HB3 TRP 9 3HB TRP 9 7.500 2.402 5.865 56 HD1 TRP 9 1HD TRP 9 8.672 4.637 6.393 57 HE1 TRP 9 1HE TRP 9 8.791 6.944 5.259 58 HE3 TRP 9 3HE TRP 9 6.347 3.494 1.986 59 HZ2 TRP 9 2HZ TRP 9 8.002 8.124 2.818 60 HZ3 TRP 9 3HZ TRP 9 6.069 5.269 0.304 61 HH2 TRP 9 2HH TRP 9 6.879 7.536 0.714 62 H THR 10 HN THR 10 8.981 3.299 2.226 63 HA THR 10 HA THR 10 11.642 3.795 3.363 64 HB THR 10 HB THR 10 12.183 3.927 0.691 65 HG1 THR 10 1HG THR 10 10.800 2.721 -0.345 66 HG21 THR 10 1HG2 THR 10 13.835 2.704 1.554 67 HG22 THR 10 2HG2 THR 10 12.791 1.289 1.419 68 HG23 THR 10 3HG2 THR 10 12.827 2.219 2.916 69 H ALA 11 HN ALA 11 10.479 4.813 0.211 70 HA ALA 11 HA ALA 11 9.308 7.244 0.836 71 HB1 ALA 11 1HB ALA 11 12.243 7.276 1.009 72 HB2 ALA 11 2HB ALA 11 11.531 8.574 0.051 73 HB3 ALA 11 3HB ALA 11 11.048 8.354 1.732 74 H GLU 12 HN GLU 12 11.468 5.520 -1.338 75 HA GLU 12 HA GLU 12 11.315 6.913 -3.664 76 HB2 GLU 12 2HB GLU 12 11.307 3.976 -3.093 77 HB3 GLU 12 3HB GLU 12 11.108 4.527 -4.750 78 HG2 GLU 12 2HG GLU 12 13.429 5.126 -2.932 79 HG3 GLU 12 3HG GLU 12 13.423 4.025 -4.308 80 H SER 13 HN SER 13 9.293 4.070 -3.756 81 HA SER 13 HA SER 13 6.835 5.569 -3.985 82 HB2 SER 13 2HB SER 13 8.160 5.541 -6.277 83 HB3 SER 13 3HB SER 13 7.478 3.919 -6.394 84 HG SER 13 HG SER 13 5.450 5.264 -5.717 85 H LEU 14 HN LEU 14 5.401 4.384 -2.928 86 HA LEU 14 HA LEU 14 5.706 1.462 -2.909 87 HB2 LEU 14 2HB LEU 14 5.759 2.501 -0.722 88 HB3 LEU 14 3HB LEU 14 4.223 3.305 -1.039 89 HG LEU 14 HG LEU 14 3.156 1.044 -1.141 90 HD11 LEU 14 1HD1 LEU 14 5.663 0.076 -1.385 91 HD12 LEU 14 2HD1 LEU 14 4.286 -0.875 -0.829 92 HD13 LEU 14 3HD1 LEU 14 5.393 -0.159 0.342 93 HD21 LEU 14 1HD2 LEU 14 4.295 2.358 1.228 94 HD22 LEU 14 2HD2 LEU 14 3.773 0.691 1.472 95 HD23 LEU 14 3HD2 LEU 14 2.631 1.896 0.873 96 H PHE 15 HN PHE 15 3.922 0.110 -3.265 97 HA PHE 15 HA PHE 15 1.816 1.346 -4.887 98 HB2 PHE 15 2HB PHE 15 2.884 -1.468 -4.715 99 HB3 PHE 15 3HB PHE 15 1.379 -1.089 -5.548 100 HD1 PHE 15 1HD PHE 15 4.978 -0.155 -5.456 101 HD2 PHE 15 2HD PHE 15 1.422 -0.466 -7.775 102 HE1 PHE 15 1HE PHE 15 6.253 0.417 -7.481 103 HE2 PHE 15 2HE PHE 15 2.691 0.105 -9.804 104 HZ PHE 15 HZ PHE 15 5.110 0.547 -9.659 105 HA PRO 16 HA PRO 16 -0.092 0.283 -5.831 106 HB2 PRO 16 2HB PRO 16 -2.493 1.546 -5.721 107 HB3 PRO 16 3HB PRO 16 -2.327 -0.210 -5.621 108 HG2 PRO 16 2HG PRO 16 -2.695 1.787 -3.422 109 HG3 PRO 16 3HG PRO 16 -3.465 0.204 -3.636 110 HD2 PRO 16 2HD PRO 16 -1.380 0.595 -1.953 111 HD3 PRO 16 3HD PRO 16 -1.637 -0.936 -2.814 112 H CYS 17 HN CYS 17 -1.098 2.832 -3.539 113 HA CYS 17 HA CYS 17 0.740 4.705 -4.752 114 HB2 CYS 17 2HB CYS 17 -2.167 5.489 -4.693 115 HB3 CYS 17 3HB CYS 17 -0.833 6.294 -5.511 116 H ARG 18 HN ARG 18 -2.256 5.035 -2.852 117 HA ARG 18 HA ARG 18 -1.372 5.129 -0.315 118 HB2 ARG 18 2HB ARG 18 0.305 6.690 -0.507 119 HB3 ARG 18 3HB ARG 18 -0.514 7.571 -1.788 120 HG2 ARG 18 2HG ARG 18 -0.367 8.850 0.302 121 HG3 ARG 18 3HG ARG 18 -2.034 8.557 -0.196 122 HD2 ARG 18 2HD ARG 18 -2.368 7.819 1.884 123 HD3 ARG 18 3HD ARG 18 -1.469 6.384 1.391 124 HE ARG 18 HE ARG 18 -0.537 8.528 3.100 125 HH11 ARG 18 1HH1 ARG 18 0.304 5.768 1.151 126 HH12 ARG 18 2HH1 ARG 18 1.822 5.507 1.945 127 HH21 ARG 18 1HH2 ARG 18 1.459 8.194 4.153 128 HH22 ARG 18 2HH2 ARG 18 2.477 6.887 3.652 129 H VAL 19 HN VAL 19 -3.333 6.564 -2.766 130 HA VAL 19 HA VAL 19 -5.301 7.490 -0.801 131 HB VAL 19 HB VAL 19 -5.302 9.186 -2.291 132 HG11 VAL 19 1HG1 VAL 19 -4.524 7.260 -4.479 133 HG12 VAL 19 2HG1 VAL 19 -4.621 9.015 -4.631 134 HG13 VAL 19 3HG1 VAL 19 -3.420 8.287 -3.563 135 HG21 VAL 19 1HG2 VAL 19 -7.132 9.099 -3.753 136 HG22 VAL 19 2HG2 VAL 19 -6.912 7.377 -4.068 137 HG23 VAL 19 3HG2 VAL 19 -7.511 7.917 -2.500 138 H CYS 20 HN CYS 20 -5.287 5.634 -3.852 139 HA CYS 20 HA CYS 20 -7.743 4.634 -4.032 140 HB2 CYS 20 2HB CYS 20 -6.417 2.304 -4.436 141 HB3 CYS 20 3HB CYS 20 -6.487 3.610 -5.614 142 H THR 21 HN THR 21 -5.638 2.219 -2.632 143 HA THR 21 HA THR 21 -7.456 1.976 -0.329 144 HB THR 21 HB THR 21 -7.846 -0.250 -0.631 145 HG1 THR 21 1HG THR 21 -6.351 -1.657 -1.621 146 HG21 THR 21 1HG2 THR 21 -8.571 1.010 -2.701 147 HG22 THR 21 2HG2 THR 21 -8.373 -0.731 -2.898 148 HG23 THR 21 3HG2 THR 21 -7.131 0.372 -3.491 149 H ARG 22 HN ARG 22 -6.118 -0.345 0.695 150 HA ARG 22 HA ARG 22 -4.202 0.806 2.329 151 HB2 ARG 22 2HB ARG 22 -5.362 -1.733 2.022 152 HB3 ARG 22 3HB ARG 22 -3.625 -1.993 1.918 153 HG2 ARG 22 2HG ARG 22 -3.251 -1.207 4.071 154 HG3 ARG 22 3HG ARG 22 -4.795 -0.354 4.130 155 HD2 ARG 22 2HD ARG 22 -6.007 -2.353 4.402 156 HD3 ARG 22 3HD ARG 22 -4.633 -3.346 3.917 157 HE ARG 22 HE ARG 22 -3.743 -2.096 6.146 158 HH11 ARG 22 1HH1 ARG 22 -6.588 -3.966 5.417 159 HH12 ARG 22 2HH1 ARG 22 -6.757 -4.579 7.030 160 HH21 ARG 22 1HH2 ARG 22 -3.955 -2.896 8.273 161 HH22 ARG 22 2HH2 ARG 22 -5.259 -3.968 8.653 162 H VAL 23 HN VAL 23 -1.936 -0.720 2.344 163 HA VAL 23 HA VAL 23 -0.629 0.068 -0.177 164 HB VAL 23 HB VAL 23 1.469 0.225 1.123 165 HG11 VAL 23 1HG1 VAL 23 -0.722 1.925 2.304 166 HG12 VAL 23 2HG1 VAL 23 0.991 2.330 2.172 167 HG13 VAL 23 3HG1 VAL 23 0.001 2.192 0.718 168 HG21 VAL 23 1HG2 VAL 23 1.315 0.283 3.599 169 HG22 VAL 23 2HG2 VAL 23 -0.344 -0.303 3.476 170 HG23 VAL 23 3HG2 VAL 23 0.991 -1.310 2.917 171 H PHE 24 HN PHE 24 0.205 -1.492 -1.393 172 HA PHE 24 HA PHE 24 1.236 -3.924 -0.181 173 HB2 PHE 24 2HB PHE 24 -0.160 -5.082 -2.194 174 HB3 PHE 24 3HB PHE 24 -0.737 -4.985 -0.534 175 HD1 PHE 24 1HD PHE 24 -1.127 -3.736 -3.932 176 HD2 PHE 24 2HD PHE 24 -2.463 -3.393 0.094 177 HE1 PHE 24 1HE PHE 24 -3.104 -2.488 -4.699 178 HE2 PHE 24 2HE PHE 24 -4.443 -2.146 -0.666 179 HZ PHE 24 HZ PHE 24 -4.766 -1.692 -3.065 180 H HIS 25 HN HIS 25 2.447 -5.253 -1.712 181 HA HIS 25 HA HIS 25 3.791 -3.575 -3.675 182 HB2 HIS 25 2HB HIS 25 4.438 -6.316 -2.578 183 HB3 HIS 25 3HB HIS 25 5.409 -5.488 -3.791 184 HD2 HIS 25 2HD HIS 25 4.514 -2.750 -1.501 185 HE1 HIS 25 1HE HIS 25 7.934 -4.516 0.282 186 HE2 HIS 25 2HE HIS 25 6.354 -2.556 0.306 187 H ASP 26 HN ASP 26 3.592 -3.777 -5.819 188 HA ASP 26 HA ASP 26 1.510 -5.023 -7.068 189 HB2 ASP 26 2HB ASP 26 3.037 -4.984 -9.151 190 HB3 ASP 26 3HB ASP 26 2.674 -3.453 -8.357 191 H GLY 27 HN GLY 27 4.465 -6.455 -5.969 192 HA2 GLY 27 1HA GLY 27 4.018 -8.900 -7.502 193 HA3 GLY 27 2HA GLY 27 5.401 -8.555 -6.475 194 H CYS 28 HN CYS 28 3.648 -7.687 -4.251 195 HA CYS 28 HA CYS 28 3.412 -10.196 -2.953 196 HB2 CYS 28 2HB CYS 28 2.750 -7.369 -2.262 197 HB3 CYS 28 3HB CYS 28 2.050 -8.652 -1.280 198 H LEU 29 HN LEU 29 1.085 -8.019 -4.463 199 HA LEU 29 HA LEU 29 -1.291 -9.158 -3.615 200 HB2 LEU 29 2HB LEU 29 -0.649 -7.995 -6.322 201 HB3 LEU 29 3HB LEU 29 -2.272 -8.284 -5.697 202 HG LEU 29 HG LEU 29 -0.348 -6.448 -4.300 203 HD11 LEU 29 1HD1 LEU 29 -1.053 -5.992 -6.863 204 HD12 LEU 29 2HD1 LEU 29 -0.771 -4.720 -5.675 205 HD13 LEU 29 3HD1 LEU 29 -2.415 -5.255 -6.020 206 HD21 LEU 29 1HD2 LEU 29 -2.159 -5.741 -3.090 207 HD22 LEU 29 2HD2 LEU 29 -2.598 -7.428 -3.356 208 HD23 LEU 29 3HD2 LEU 29 -3.311 -6.162 -4.357 209 H ARG 30 HN ARG 30 0.884 -10.178 -6.194 210 HA ARG 30 HA ARG 30 -0.866 -12.245 -7.146 211 HB2 ARG 30 2HB ARG 30 2.065 -11.706 -7.653 212 HB3 ARG 30 3HB ARG 30 1.132 -12.955 -8.466 213 HG2 ARG 30 2HG ARG 30 -0.148 -11.406 -9.642 214 HG3 ARG 30 3HG ARG 30 0.275 -10.088 -8.547 215 HD2 ARG 30 2HD ARG 30 1.459 -9.798 -10.622 216 HD3 ARG 30 3HD ARG 30 2.610 -10.226 -9.357 217 HE ARG 30 HE ARG 30 1.907 -12.600 -10.545 218 HH11 ARG 30 1HH1 ARG 30 3.323 -9.593 -11.579 219 HH12 ARG 30 2HH1 ARG 30 4.251 -10.317 -12.850 220 HH21 ARG 30 1HH2 ARG 30 3.124 -13.565 -12.216 221 HH22 ARG 30 2HH2 ARG 30 4.136 -12.576 -13.214 222 H ARG 31 HN ARG 31 1.973 -12.086 -5.047 223 HA ARG 31 HA ARG 31 2.358 -14.846 -4.716 224 HB2 ARG 31 2HB ARG 31 3.529 -12.494 -3.743 225 HB3 ARG 31 3HB ARG 31 2.987 -13.363 -2.313 226 HG2 ARG 31 2HG ARG 31 4.842 -14.373 -4.456 227 HG3 ARG 31 3HG ARG 31 5.248 -13.980 -2.784 228 HD2 ARG 31 2HD ARG 31 3.101 -15.972 -3.210 229 HD3 ARG 31 3HD ARG 31 4.741 -16.471 -3.622 230 HE ARG 31 HE ARG 31 4.581 -15.253 -1.041 231 HH11 ARG 31 1HH1 ARG 31 4.097 -18.220 -2.797 232 HH12 ARG 31 2HH1 ARG 31 4.340 -19.232 -1.412 233 HH21 ARG 31 1HH2 ARG 31 4.903 -16.575 0.790 234 HH22 ARG 31 2HH2 ARG 31 4.797 -18.295 0.628 235 H MET 32 HN MET 32 0.220 -12.569 -3.113 236 HA MET 32 HA MET 32 -0.669 -14.580 -1.207 237 HB2 MET 32 2HB MET 32 -1.412 -11.684 -1.620 238 HB3 MET 32 3HB MET 32 -2.187 -12.716 -0.426 239 HG2 MET 32 2HG MET 32 0.783 -12.391 -0.457 240 HG3 MET 32 3HG MET 32 -0.250 -11.178 0.295 241 HE1 MET 32 1HE MET 32 -1.674 -11.434 2.189 242 HE2 MET 32 2HE MET 32 -2.594 -12.906 1.875 243 HE3 MET 32 3HE MET 32 -1.669 -12.745 3.369 244 H GLY 33 HN GLY 33 -1.328 -13.875 -4.355 245 HA2 GLY 33 1HA GLY 33 -2.984 -14.622 -5.769 246 HA3 GLY 33 2HA GLY 33 -3.668 -15.495 -4.405 247 H TYR 34 HN TYR 34 -3.175 -12.111 -4.026 248 HA TYR 34 HA TYR 34 -5.938 -11.645 -3.565 249 HB2 TYR 34 2HB TYR 34 -3.500 -9.902 -3.695 250 HB3 TYR 34 3HB TYR 34 -5.101 -9.172 -3.613 251 HD1 TYR 34 1HD TYR 34 -2.435 -9.822 -1.657 252 HD2 TYR 34 2HD TYR 34 -6.604 -10.665 -1.749 253 HE1 TYR 34 1HE TYR 34 -2.427 -10.095 0.787 254 HE2 TYR 34 2HE TYR 34 -6.608 -10.940 0.695 255 HH TYR 34 HH TYR 34 -3.995 -9.990 2.656 256 H ILE 35 HN ILE 35 -3.794 -11.120 -6.291 257 HA ILE 35 HA ILE 35 -6.136 -10.440 -7.925 258 HB ILE 35 HB ILE 35 -4.972 -8.716 -9.112 259 HG12 ILE 35 2HG1 ILE 35 -2.653 -8.075 -7.875 260 HG13 ILE 35 3HG1 ILE 35 -2.629 -9.823 -7.682 261 HG21 ILE 35 1HG2 ILE 35 -5.271 -7.091 -7.570 262 HG22 ILE 35 2HG2 ILE 35 -5.901 -8.430 -6.611 263 HG23 ILE 35 3HG2 ILE 35 -4.241 -7.883 -6.377 264 HD11 ILE 35 1HD1 ILE 35 -1.866 -10.016 -9.742 265 HD12 ILE 35 2HD1 ILE 35 -3.349 -9.284 -10.355 266 HD13 ILE 35 3HD1 ILE 35 -1.963 -8.268 -9.960 267 H GLN 36 HN GLN 36 -5.631 -10.631 -10.302 268 HA GLN 36 HA GLN 36 -3.533 -12.594 -10.871 269 HB2 GLN 36 2HB GLN 36 -6.435 -12.912 -11.655 270 HB3 GLN 36 3HB GLN 36 -5.120 -13.938 -12.214 271 HG2 GLN 36 2HG GLN 36 -5.668 -15.250 -10.503 272 HG3 GLN 36 3HG GLN 36 -4.820 -14.068 -9.509 273 HE21 GLN 36 1HE2 GLN 36 -8.007 -14.313 -11.061 274 HE22 GLN 36 2HE2 GLN 36 -8.912 -13.870 -9.658 275 H GLY 37 HN GLY 37 -2.698 -10.461 -11.705 276 HA2 GLY 37 1HA GLY 37 -3.120 -10.378 -14.553 277 HA3 GLY 37 2HA GLY 37 -3.709 -8.944 -13.725 278 H ASP 38 HN ASP 38 -1.847 -8.480 -15.535 279 HA ASP 38 HA ASP 38 0.627 -8.100 -13.978 280 HB2 ASP 38 2HB ASP 38 1.084 -9.652 -15.762 281 HB3 ASP 38 3HB ASP 38 0.301 -8.602 -16.940 282 H SER 39 HN SER 39 1.558 -6.098 -13.970 283 HA SER 39 HA SER 39 0.025 -3.961 -15.297 284 HB2 SER 39 2HB SER 39 -0.144 -3.720 -12.915 285 HB3 SER 39 3HB SER 39 1.594 -3.945 -12.712 286 HG SER 39 HG SER 39 0.634 -1.698 -12.724 287 H ALA 40 HN ALA 40 1.238 -2.074 -15.998 288 HA ALA 40 HA ALA 40 4.012 -2.737 -16.748 289 HB1 ALA 40 1HB ALA 40 2.171 -2.684 -18.576 290 HB2 ALA 40 2HB ALA 40 2.311 -0.932 -18.418 291 HB3 ALA 40 3HB ALA 40 3.717 -1.892 -18.880 292 H ALA 41 HN ALA 41 4.492 -0.190 -17.958 293 HA ALA 41 HA ALA 41 5.429 1.807 -17.379 294 HB1 ALA 41 1HB ALA 41 3.833 3.290 -16.918 295 HB2 ALA 41 2HB ALA 41 2.728 1.919 -16.815 296 HB3 ALA 41 3HB ALA 41 3.487 2.552 -15.354 297 H GLU 42 HN GLU 42 7.314 1.351 -16.348 298 HA GLU 42 HA GLU 42 7.389 1.763 -13.499 299 HB2 GLU 42 2HB GLU 42 8.107 -0.906 -14.700 300 HB3 GLU 42 3HB GLU 42 8.736 -0.374 -13.147 301 HG2 GLU 42 2HG GLU 42 6.186 0.027 -12.633 302 HG3 GLU 42 3HG GLU 42 5.980 -1.174 -13.907 303 H VAL 43 HN VAL 43 8.556 3.592 -14.405 304 HA VAL 43 HA VAL 43 11.382 2.924 -14.858 305 HB VAL 43 HB VAL 43 10.737 3.474 -17.040 306 HG11 VAL 43 1HG1 VAL 43 8.522 4.241 -16.753 307 HG12 VAL 43 2HG1 VAL 43 9.045 5.628 -15.797 308 HG13 VAL 43 3HG1 VAL 43 9.394 5.564 -17.525 309 HG21 VAL 43 1HG2 VAL 43 12.577 4.960 -15.812 310 HG22 VAL 43 2HG2 VAL 43 12.154 5.191 -17.509 311 HG23 VAL 43 3HG2 VAL 43 11.461 6.244 -16.276 312 H THR 44 HN THR 44 11.935 3.487 -12.766 313 HA THR 44 HA THR 44 12.559 4.844 -11.047 314 HB THR 44 HB THR 44 12.363 7.002 -13.158 315 HG1 THR 44 1HG THR 44 13.913 5.101 -13.321 316 HG21 THR 44 1HG2 THR 44 14.097 8.085 -11.582 317 HG22 THR 44 2HG2 THR 44 13.447 6.993 -10.360 318 HG23 THR 44 3HG2 THR 44 12.393 8.173 -11.137 319 H GLU 45 HN GLU 45 11.112 5.019 -9.463 320 HA GLU 45 HA GLU 45 8.802 6.800 -9.874 321 HB2 GLU 45 2HB GLU 45 8.972 4.448 -7.986 322 HB3 GLU 45 3HB GLU 45 7.556 5.440 -8.300 323 HG2 GLU 45 2HG GLU 45 7.367 4.605 -10.520 324 HG3 GLU 45 3HG GLU 45 8.923 3.787 -10.405 325 H MET 46 HN MET 46 8.193 8.183 -8.192 326 HA MET 46 HA MET 46 10.002 8.363 -5.893 327 HB2 MET 46 2HB MET 46 9.226 10.762 -7.557 328 HB3 MET 46 3HB MET 46 10.307 10.741 -6.169 329 HG2 MET 46 2HG MET 46 11.281 8.886 -8.086 330 HG3 MET 46 3HG MET 46 10.934 10.407 -8.905 331 HE1 MET 46 1HE MET 46 11.753 12.520 -8.438 332 HE2 MET 46 2HE MET 46 11.946 12.830 -6.713 333 HE3 MET 46 3HE MET 46 13.350 12.877 -7.781 334 H ALA 47 HN ALA 47 7.400 7.328 -5.945 335 HA ALA 47 HA ALA 47 5.480 7.418 -4.722 336 HB1 ALA 47 1HB ALA 47 7.301 8.858 -3.236 337 HB2 ALA 47 2HB ALA 47 5.921 9.949 -3.365 338 HB3 ALA 47 3HB ALA 47 5.707 8.330 -2.700 339 H HIS 48 HN HIS 48 6.074 10.910 -5.003 340 HA HIS 48 HA HIS 48 3.802 11.099 -6.856 341 HB2 HIS 48 2HB HIS 48 3.069 11.646 -4.533 342 HB3 HIS 48 3HB HIS 48 4.246 12.956 -4.509 343 HD1 HIS 48 1HD HIS 48 1.731 14.141 -4.037 344 HD2 HIS 48 2HD HIS 48 2.748 13.060 -7.917 345 HE1 HIS 48 1HE HIS 48 0.223 15.493 -5.528 346 H THR 49 HN THR 49 5.673 11.226 -8.352 347 HA THR 49 HA THR 49 6.145 13.902 -9.132 348 HB THR 49 HB THR 49 8.797 12.761 -8.588 349 HG1 THR 49 1HG THR 49 8.532 12.501 -6.513 350 HG21 THR 49 1HG2 THR 49 8.108 15.096 -9.464 351 HG22 THR 49 2HG2 THR 49 9.398 14.991 -8.266 352 HG23 THR 49 3HG2 THR 49 7.770 15.459 -7.772 353 H GLU 50 HN GLU 50 7.210 10.542 -9.290 354 HA GLU 50 HA GLU 50 8.470 10.657 -11.800 355 HB2 GLU 50 2HB GLU 50 8.398 8.278 -11.796 356 HB3 GLU 50 3HB GLU 50 8.619 8.780 -10.125 357 HG2 GLU 50 2HG GLU 50 6.836 7.626 -9.528 358 HG3 GLU 50 3HG GLU 50 5.834 8.584 -10.619 359 H THR 51 HN THR 51 7.199 8.621 -13.273 360 HA THR 51 HA THR 51 5.533 10.039 -14.952 361 HB THR 51 HB THR 51 4.696 7.766 -15.729 362 HG1 THR 51 1HG THR 51 5.522 5.975 -14.760 363 HG21 THR 51 1HG2 THR 51 6.620 8.876 -16.756 364 HG22 THR 51 2HG2 THR 51 6.864 7.129 -16.682 365 HG23 THR 51 3HG2 THR 51 7.680 8.184 -15.528 366 H GLY 52 HN GLY 52 4.574 7.755 -12.388 367 HA2 GLY 52 1HA GLY 52 2.512 9.036 -11.250 368 HA3 GLY 52 2HA GLY 52 1.777 8.454 -12.736 369 H TRP 53 HN TRP 53 1.985 7.790 -9.592 370 HA TRP 53 HA TRP 53 2.556 4.999 -9.577 371 HB2 TRP 53 2HB TRP 53 1.346 5.137 -7.306 372 HB3 TRP 53 3HB TRP 53 2.831 6.062 -7.503 373 HD1 TRP 53 1HD TRP 53 -0.035 7.704 -9.218 374 HE1 TRP 53 1HE TRP 53 -0.874 9.700 -7.827 375 HE3 TRP 53 3HE TRP 53 2.483 6.778 -4.866 376 HZ2 TRP 53 2HZ TRP 53 -0.515 10.745 -5.229 377 HZ3 TRP 53 3HZ TRP 53 2.181 8.323 -2.977 378 HH2 TRP 53 2HH TRP 53 0.713 10.266 -3.156 379 H SER 54 HN SER 54 1.340 3.761 -10.899 380 HA SER 54 HA SER 54 -1.583 4.042 -10.773 381 HB2 SER 54 2HB SER 54 -1.365 2.414 -12.822 382 HB3 SER 54 3HB SER 54 -1.037 4.134 -13.027 383 HG SER 54 HG SER 54 0.557 2.442 -13.822 384 H CYS 55 HN CYS 55 -2.907 2.210 -10.488 385 HA CYS 55 HA CYS 55 -1.620 -0.276 -9.660 386 HB2 CYS 55 2HB CYS 55 -2.804 -0.386 -7.555 387 HB3 CYS 55 3HB CYS 55 -1.883 1.114 -7.611 388 H HIS 56 HN HIS 56 -3.170 -2.060 -9.419 389 HA HIS 56 HA HIS 56 -4.745 -2.525 -11.560 390 HB2 HIS 56 2HB HIS 56 -4.146 -4.052 -9.533 391 HB3 HIS 56 3HB HIS 56 -5.693 -3.511 -8.890 392 HD1 HIS 56 1HD HIS 56 -7.828 -4.360 -10.065 393 HD2 HIS 56 2HD HIS 56 -4.300 -5.795 -11.722 394 HE1 HIS 56 1HE HIS 56 -8.518 -6.232 -11.595 395 H TYR 57 HN TYR 57 -5.877 -1.105 -8.503 396 HA TYR 57 HA TYR 57 -8.263 -0.145 -9.944 397 HB2 TYR 57 2HB TYR 57 -9.010 -0.064 -7.320 398 HB3 TYR 57 3HB TYR 57 -9.380 -1.385 -8.423 399 HD1 TYR 57 1HD TYR 57 -6.318 -0.378 -6.519 400 HD2 TYR 57 2HD TYR 57 -9.166 -3.422 -7.373 401 HE1 TYR 57 1HE TYR 57 -5.087 -1.931 -5.062 402 HE2 TYR 57 2HE TYR 57 -7.943 -4.982 -5.917 403 HH TYR 57 HH TYR 57 -6.358 -4.802 -3.944 404 H CYS 58 HN CYS 58 -6.632 1.624 -10.427 405 HA CYS 58 HA CYS 58 -6.109 3.450 -8.233 406 HB2 CYS 58 2HB CYS 58 -4.940 2.937 -10.772 407 HB3 CYS 58 3HB CYS 58 -5.495 4.607 -10.774 408 H ASP 59 HN ASP 59 -7.391 4.080 -11.492 409 HA ASP 59 HA ASP 59 -9.258 6.007 -10.291 410 HB2 ASP 59 2HB ASP 59 -7.729 5.924 -12.814 411 HB3 ASP 59 3HB ASP 59 -9.383 6.514 -12.962 412 H ASN 60 HN ASN 60 -9.357 2.921 -10.987 413 HA ASN 60 HA ASN 60 -12.013 3.031 -12.261 414 HB2 ASN 60 2HB ASN 60 -9.891 1.725 -13.271 415 HB3 ASN 60 3HB ASN 60 -10.519 0.465 -12.213 416 HD21 ASN 60 1HD2 ASN 60 -11.128 -0.851 -13.904 417 HD22 ASN 60 2HD2 ASN 60 -12.468 -0.488 -14.932 Start of MODEL 3 1 H1 GLU 1 HN GLU 1 2.518 4.344 5.182 2 HA GLU 1 HA GLU 1 0.694 2.639 3.625 3 HB2 GLU 1 2HB GLU 1 3.010 4.383 2.854 4 HB3 GLU 1 3HB GLU 1 2.533 3.042 1.820 5 HG2 GLU 1 2HG GLU 1 1.318 4.714 0.879 6 HG3 GLU 1 3HG GLU 1 0.153 4.127 2.064 7 H MET 2 HN MET 2 1.473 1.174 5.564 8 HA MET 2 HA MET 2 4.009 -0.134 4.923 9 HB2 MET 2 2HB MET 2 2.239 -0.949 7.198 10 HB3 MET 2 3HB MET 2 3.990 -1.043 7.065 11 HG2 MET 2 2HG MET 2 3.313 1.683 6.898 12 HG3 MET 2 3HG MET 2 2.370 1.001 8.222 13 HE1 MET 2 1HE MET 2 5.717 1.097 6.521 14 HE2 MET 2 2HE MET 2 6.917 1.135 7.813 15 HE3 MET 2 3HE MET 2 6.179 -0.396 7.338 16 H CYS 3 HN CYS 3 3.884 -1.650 3.402 17 HA CYS 3 HA CYS 3 1.792 -2.898 2.283 18 HB2 CYS 3 2HB CYS 3 4.167 -3.235 1.630 19 HB3 CYS 3 3HB CYS 3 4.363 -4.324 2.998 20 H ASP 4 HN ASP 4 0.263 -4.340 2.792 21 HA ASP 4 HA ASP 4 -0.012 -5.201 5.509 22 HB2 ASP 4 2HB ASP 4 -1.827 -4.621 3.654 23 HB3 ASP 4 3HB ASP 4 -1.714 -6.351 3.348 24 H VAL 5 HN VAL 5 1.984 -6.309 3.249 25 HA VAL 5 HA VAL 5 1.777 -9.090 4.196 26 HB VAL 5 HB VAL 5 2.585 -8.198 1.425 27 HG11 VAL 5 1HG1 VAL 5 2.442 -10.787 1.107 28 HG12 VAL 5 2HG1 VAL 5 3.909 -10.054 1.759 29 HG13 VAL 5 3HG1 VAL 5 2.746 -10.819 2.844 30 HG21 VAL 5 1HG2 VAL 5 0.183 -9.756 2.377 31 HG22 VAL 5 2HG2 VAL 5 0.176 -8.096 1.783 32 HG23 VAL 5 3HG2 VAL 5 0.591 -9.420 0.694 33 H CYS 6 HN CYS 6 3.580 -6.324 4.174 34 HA CYS 6 HA CYS 6 5.990 -7.800 4.928 35 HB2 CYS 6 2HB CYS 6 6.017 -5.466 3.002 36 HB3 CYS 6 3HB CYS 6 7.431 -6.311 3.625 37 H GLU 7 HN GLU 7 4.229 -4.747 4.847 38 HA GLU 7 HA GLU 7 4.041 -3.067 6.372 39 HB2 GLU 7 2HB GLU 7 5.593 -4.842 8.258 40 HB3 GLU 7 3HB GLU 7 4.554 -3.492 8.686 41 HG2 GLU 7 2HG GLU 7 2.607 -4.670 8.171 42 HG3 GLU 7 3HG GLU 7 3.482 -5.884 7.239 43 H VAL 8 HN VAL 8 5.760 -2.385 4.628 44 HA VAL 8 HA VAL 8 7.768 -0.910 6.051 45 HB VAL 8 HB VAL 8 9.494 -1.897 4.229 46 HG11 VAL 8 1HG1 VAL 8 9.064 -2.109 7.048 47 HG12 VAL 8 2HG1 VAL 8 9.736 -3.624 6.441 48 HG13 VAL 8 3HG1 VAL 8 10.583 -2.104 6.153 49 HG21 VAL 8 1HG2 VAL 8 7.793 -4.247 5.059 50 HG22 VAL 8 2HG2 VAL 8 7.907 -3.581 3.430 51 HG23 VAL 8 3HG2 VAL 8 9.318 -4.331 4.176 52 H TRP 9 HN TRP 9 7.632 1.032 5.163 53 HA TRP 9 HA TRP 9 6.890 1.268 2.337 54 HB2 TRP 9 2HB TRP 9 5.457 2.698 3.389 55 HB3 TRP 9 3HB TRP 9 6.553 2.970 4.741 56 HD1 TRP 9 1HD TRP 9 8.230 5.011 4.573 57 HE1 TRP 9 1HE TRP 9 8.381 7.023 2.975 58 HE3 TRP 9 3HE TRP 9 5.059 3.378 0.910 59 HZ2 TRP 9 2HZ TRP 9 7.298 7.814 0.492 60 HZ3 TRP 9 3HZ TRP 9 4.670 4.823 -1.043 61 HH2 TRP 9 2HH TRP 9 5.767 6.995 -1.246 62 H THR 10 HN THR 10 7.925 3.103 1.126 63 HA THR 10 HA THR 10 10.698 3.602 1.923 64 HB THR 10 HB THR 10 11.204 3.222 -0.645 65 HG1 THR 10 1HG THR 10 8.742 2.388 -0.539 66 HG21 THR 10 1HG2 THR 10 12.331 1.332 -0.026 67 HG22 THR 10 2HG2 THR 10 10.962 0.679 0.873 68 HG23 THR 10 3HG2 THR 10 11.945 1.964 1.573 69 H ALA 11 HN ALA 11 9.482 4.121 -1.303 70 HA ALA 11 HA ALA 11 8.267 6.536 -1.255 71 HB1 ALA 11 1HB ALA 11 9.704 7.944 -0.287 72 HB2 ALA 11 2HB ALA 11 11.052 6.816 -0.445 73 HB3 ALA 11 3HB ALA 11 10.612 7.860 -1.798 74 H GLU 12 HN GLU 12 10.955 4.802 -2.740 75 HA GLU 12 HA GLU 12 11.251 5.818 -5.190 76 HB2 GLU 12 2HB GLU 12 10.649 2.884 -5.013 77 HB3 GLU 12 3HB GLU 12 11.863 3.707 -5.982 78 HG2 GLU 12 2HG GLU 12 12.775 4.344 -3.564 79 HG3 GLU 12 3HG GLU 12 11.952 2.839 -3.158 80 H SER 13 HN SER 13 8.803 3.265 -4.762 81 HA SER 13 HA SER 13 6.683 4.735 -5.915 82 HB2 SER 13 2HB SER 13 8.067 4.461 -7.957 83 HB3 SER 13 3HB SER 13 7.978 2.711 -7.758 84 HG SER 13 HG SER 13 6.176 2.834 -8.814 85 H LEU 14 HN LEU 14 6.115 3.639 -3.822 86 HA LEU 14 HA LEU 14 5.586 0.798 -3.964 87 HB2 LEU 14 2HB LEU 14 5.973 2.670 -1.915 88 HB3 LEU 14 3HB LEU 14 4.303 2.129 -1.757 89 HG LEU 14 HG LEU 14 6.676 0.269 -1.846 90 HD11 LEU 14 1HD1 LEU 14 6.852 1.661 0.121 91 HD12 LEU 14 2HD1 LEU 14 6.333 0.040 0.583 92 HD13 LEU 14 3HD1 LEU 14 5.162 1.357 0.524 93 HD21 LEU 14 1HD2 LEU 14 4.993 -1.155 -2.308 94 HD22 LEU 14 2HD2 LEU 14 3.753 -0.058 -1.700 95 HD23 LEU 14 3HD2 LEU 14 4.690 -1.042 -0.574 96 H PHE 15 HN PHE 15 3.715 -0.141 -4.498 97 HA PHE 15 HA PHE 15 1.535 1.530 -5.411 98 HB2 PHE 15 2HB PHE 15 2.037 -1.445 -5.505 99 HB3 PHE 15 3HB PHE 15 0.534 -0.717 -6.061 100 HD1 PHE 15 1HD PHE 15 4.205 -0.190 -6.494 101 HD2 PHE 15 2HD PHE 15 0.358 -0.338 -8.311 102 HE1 PHE 15 1HE PHE 15 5.229 0.232 -8.691 103 HE2 PHE 15 2HE PHE 15 1.376 0.083 -10.509 104 HZ PHE 15 HZ PHE 15 3.815 0.367 -10.703 105 HA PRO 16 HA PRO 16 -0.684 0.880 -5.978 106 HB2 PRO 16 2HB PRO 16 -2.741 2.541 -5.360 107 HB3 PRO 16 3HB PRO 16 -2.887 0.779 -5.336 108 HG2 PRO 16 2HG PRO 16 -2.449 2.673 -3.061 109 HG3 PRO 16 3HG PRO 16 -3.525 1.268 -3.154 110 HD2 PRO 16 2HD PRO 16 -1.120 1.181 -1.914 111 HD3 PRO 16 3HD PRO 16 -1.817 -0.225 -2.744 112 H CYS 17 HN CYS 17 -0.736 3.424 -3.471 113 HA CYS 17 HA CYS 17 1.296 4.970 -4.648 114 HB2 CYS 17 2HB CYS 17 -0.134 6.900 -5.402 115 HB3 CYS 17 3HB CYS 17 -0.224 5.471 -6.426 116 H ARG 18 HN ARG 18 -1.791 5.312 -2.907 117 HA ARG 18 HA ARG 18 -0.919 5.739 -0.396 118 HB2 ARG 18 2HB ARG 18 0.382 7.571 -0.486 119 HB3 ARG 18 3HB ARG 18 -0.207 8.014 -2.083 120 HG2 ARG 18 2HG ARG 18 -0.666 9.728 -0.383 121 HG3 ARG 18 3HG ARG 18 -2.136 9.090 -1.121 122 HD2 ARG 18 2HD ARG 18 -2.889 8.714 0.939 123 HD3 ARG 18 3HD ARG 18 -1.682 7.435 1.060 124 HE ARG 18 HE ARG 18 -0.437 8.775 2.448 125 HH11 ARG 18 1HH1 ARG 18 -2.933 10.668 0.930 126 HH12 ARG 18 2HH1 ARG 18 -2.663 12.060 1.924 127 HH21 ARG 18 1HH2 ARG 18 -0.072 10.603 3.764 128 HH22 ARG 18 2HH2 ARG 18 -1.035 12.022 3.535 129 H VAL 19 HN VAL 19 -2.890 7.614 -2.700 130 HA VAL 19 HA VAL 19 -5.020 7.988 -0.822 131 HB VAL 19 HB VAL 19 -5.109 8.350 -3.820 132 HG11 VAL 19 1HG1 VAL 19 -6.881 9.192 -1.557 133 HG12 VAL 19 2HG1 VAL 19 -6.833 10.116 -3.058 134 HG13 VAL 19 3HG1 VAL 19 -7.310 8.418 -3.082 135 HG21 VAL 19 1HG2 VAL 19 -4.036 10.078 -1.633 136 HG22 VAL 19 2HG2 VAL 19 -3.388 9.773 -3.245 137 HG23 VAL 19 3HG2 VAL 19 -4.789 10.825 -3.043 138 H CYS 20 HN CYS 20 -4.593 5.981 -3.727 139 HA CYS 20 HA CYS 20 -6.940 4.780 -4.105 140 HB2 CYS 20 2HB CYS 20 -4.159 3.775 -4.186 141 HB3 CYS 20 3HB CYS 20 -5.415 2.542 -4.162 142 H THR 21 HN THR 21 -4.683 3.056 -1.972 143 HA THR 21 HA THR 21 -6.313 2.962 0.299 144 HB THR 21 HB THR 21 -7.803 1.658 -1.248 145 HG1 THR 21 1HG THR 21 -8.151 0.011 0.331 146 HG21 THR 21 1HG2 THR 21 -5.364 0.290 -1.786 147 HG22 THR 21 2HG2 THR 21 -6.950 0.038 -2.514 148 HG23 THR 21 3HG2 THR 21 -6.494 -0.854 -1.063 149 H ARG 22 HN ARG 22 -5.777 0.164 0.950 150 HA ARG 22 HA ARG 22 -3.437 0.300 2.306 151 HB2 ARG 22 2HB ARG 22 -4.957 -1.980 1.136 152 HB3 ARG 22 3HB ARG 22 -3.354 -2.305 1.783 153 HG2 ARG 22 2HG ARG 22 -4.440 -0.859 3.801 154 HG3 ARG 22 3HG ARG 22 -5.862 -1.689 3.169 155 HD2 ARG 22 2HD ARG 22 -5.128 -3.728 3.824 156 HD3 ARG 22 3HD ARG 22 -3.438 -3.336 3.509 157 HE ARG 22 HE ARG 22 -3.228 -2.837 5.717 158 HH11 ARG 22 1HH1 ARG 22 -6.579 -2.498 4.832 159 HH12 ARG 22 2HH1 ARG 22 -7.102 -2.134 6.444 160 HH21 ARG 22 1HH2 ARG 22 -3.905 -2.359 7.842 161 HH22 ARG 22 2HH2 ARG 22 -5.580 -2.055 8.155 162 H VAL 23 HN VAL 23 -1.364 -0.903 1.933 163 HA VAL 23 HA VAL 23 -0.399 -0.327 -0.783 164 HB VAL 23 HB VAL 23 0.989 0.883 0.592 165 HG11 VAL 23 1HG1 VAL 23 0.519 -1.291 2.590 166 HG12 VAL 23 2HG1 VAL 23 1.895 -0.200 2.774 167 HG13 VAL 23 3HG1 VAL 23 0.253 0.446 2.739 168 HG21 VAL 23 1HG2 VAL 23 3.074 -0.027 0.343 169 HG22 VAL 23 2HG2 VAL 23 2.570 -1.619 0.913 170 HG23 VAL 23 3HG2 VAL 23 2.151 -1.091 -0.717 171 H PHE 24 HN PHE 24 0.444 -1.881 -2.052 172 HA PHE 24 HA PHE 24 0.972 -4.522 -0.885 173 HB2 PHE 24 2HB PHE 24 -0.195 -4.702 -3.548 174 HB3 PHE 24 3HB PHE 24 -0.611 -5.579 -2.079 175 HD1 PHE 24 1HD PHE 24 -1.378 -2.723 -4.199 176 HD2 PHE 24 2HD PHE 24 -2.305 -4.716 -0.554 177 HE1 PHE 24 1HE PHE 24 -3.458 -1.421 -4.020 178 HE2 PHE 24 2HE PHE 24 -4.386 -3.418 -0.369 179 HZ PHE 24 HZ PHE 24 -4.966 -1.768 -2.103 180 H HIS 25 HN HIS 25 2.503 -5.778 -1.987 181 HA HIS 25 HA HIS 25 4.283 -4.216 -3.703 182 HB2 HIS 25 2HB HIS 25 4.695 -6.810 -2.206 183 HB3 HIS 25 3HB HIS 25 5.906 -6.076 -3.253 184 HD2 HIS 25 2HD HIS 25 4.296 -3.275 -1.355 185 HE1 HIS 25 1HE HIS 25 7.577 -4.521 1.029 186 HE2 HIS 25 2HE HIS 25 5.787 -2.780 0.700 187 H ASP 26 HN ASP 26 4.426 -4.558 -5.818 188 HA ASP 26 HA ASP 26 2.763 -5.955 -7.389 189 HB2 ASP 26 2HB ASP 26 4.427 -4.491 -8.347 190 HB3 ASP 26 3HB ASP 26 5.727 -5.565 -7.838 191 H GLY 27 HN GLY 27 5.365 -7.311 -5.511 192 HA2 GLY 27 1HA GLY 27 5.126 -9.914 -6.801 193 HA3 GLY 27 2HA GLY 27 6.258 -9.480 -5.528 194 H CYS 28 HN CYS 28 4.414 -8.422 -3.672 195 HA CYS 28 HA CYS 28 3.666 -10.716 -2.279 196 HB2 CYS 28 2HB CYS 28 2.920 -7.819 -2.045 197 HB3 CYS 28 3HB CYS 28 2.124 -9.016 -1.030 198 H LEU 29 HN LEU 29 1.533 -8.400 -3.959 199 HA LEU 29 HA LEU 29 -0.878 -9.649 -3.631 200 HB2 LEU 29 2HB LEU 29 0.078 -8.322 -6.162 201 HB3 LEU 29 3HB LEU 29 -1.602 -8.585 -5.695 202 HG LEU 29 HG LEU 29 0.239 -6.901 -4.024 203 HD11 LEU 29 1HD1 LEU 29 0.367 -5.389 -5.642 204 HD12 LEU 29 2HD1 LEU 29 -1.381 -5.191 -5.511 205 HD13 LEU 29 3HD1 LEU 29 -0.707 -6.324 -6.684 206 HD21 LEU 29 1HD2 LEU 29 -2.681 -7.427 -4.212 207 HD22 LEU 29 2HD2 LEU 29 -2.150 -5.818 -3.721 208 HD23 LEU 29 3HD2 LEU 29 -1.654 -7.234 -2.792 209 H ARG 30 HN ARG 30 1.528 -10.311 -6.157 210 HA ARG 30 HA ARG 30 0.029 -12.315 -7.469 211 HB2 ARG 30 2HB ARG 30 2.880 -11.442 -7.478 212 HB3 ARG 30 3HB ARG 30 2.492 -13.009 -8.174 213 HG2 ARG 30 2HG ARG 30 1.410 -12.111 -9.949 214 HG3 ARG 30 3HG ARG 30 0.828 -10.720 -9.031 215 HD2 ARG 30 2HD ARG 30 2.500 -9.473 -9.793 216 HD3 ARG 30 3HD ARG 30 3.681 -10.628 -9.181 217 HE ARG 30 HE ARG 30 2.946 -10.249 -11.882 218 HH11 ARG 30 1HH1 ARG 30 3.744 -12.749 -9.595 219 HH12 ARG 30 2HH1 ARG 30 4.357 -13.835 -10.797 220 HH21 ARG 30 1HH2 ARG 30 3.750 -11.670 -13.475 221 HH22 ARG 30 2HH2 ARG 30 4.360 -13.220 -13.004 222 H ARG 31 HN ARG 31 2.699 -12.535 -5.123 223 HA ARG 31 HA ARG 31 2.534 -15.376 -4.912 224 HB2 ARG 31 2HB ARG 31 4.127 -13.217 -3.721 225 HB3 ARG 31 3HB ARG 31 3.826 -14.564 -2.632 226 HG2 ARG 31 2HG ARG 31 4.937 -14.904 -5.404 227 HG3 ARG 31 3HG ARG 31 5.941 -14.699 -3.968 228 HD2 ARG 31 2HD ARG 31 4.267 -16.675 -3.160 229 HD3 ARG 31 3HD ARG 31 4.395 -17.024 -4.884 230 HE ARG 31 HE ARG 31 6.963 -16.577 -3.817 231 HH11 ARG 31 1HH1 ARG 31 4.384 -18.916 -3.776 232 HH12 ARG 31 2HH1 ARG 31 5.435 -20.263 -3.483 233 HH21 ARG 31 1HH2 ARG 31 8.356 -18.341 -3.431 234 HH22 ARG 31 2HH2 ARG 31 7.694 -19.934 -3.286 235 H MET 32 HN MET 32 0.412 -13.095 -3.951 236 HA MET 32 HA MET 32 -0.434 -14.653 -1.596 237 HB2 MET 32 2HB MET 32 -0.662 -11.705 -2.171 238 HB3 MET 32 3HB MET 32 -1.646 -12.495 -0.947 239 HG2 MET 32 2HG MET 32 1.355 -12.310 -1.008 240 HG3 MET 32 3HG MET 32 0.260 -11.470 0.087 241 HE1 MET 32 1HE MET 32 -0.855 -12.161 1.787 242 HE2 MET 32 2HE MET 32 -1.383 -13.811 2.114 243 HE3 MET 32 3HE MET 32 0.039 -13.162 2.933 244 H GLY 33 HN GLY 33 -1.218 -13.596 -4.735 245 HA2 GLY 33 1HA GLY 33 -3.011 -14.200 -6.064 246 HA3 GLY 33 2HA GLY 33 -3.702 -15.040 -4.682 247 H TYR 34 HN TYR 34 -2.903 -11.910 -3.823 248 HA TYR 34 HA TYR 34 -5.508 -11.112 -3.289 249 HB2 TYR 34 2HB TYR 34 -2.862 -9.852 -3.297 250 HB3 TYR 34 3HB TYR 34 -4.177 -8.724 -3.606 251 HD1 TYR 34 1HD TYR 34 -6.283 -9.155 -1.949 252 HD2 TYR 34 2HD TYR 34 -2.217 -10.075 -1.100 253 HE1 TYR 34 1HE TYR 34 -6.771 -9.057 0.459 254 HE2 TYR 34 2HE TYR 34 -2.693 -9.980 1.310 255 HH TYR 34 HH TYR 34 -4.351 -8.942 2.819 256 H ILE 35 HN ILE 35 -3.633 -10.843 -6.211 257 HA ILE 35 HA ILE 35 -5.668 -9.147 -7.456 258 HB ILE 35 HB ILE 35 -4.119 -8.996 -9.361 259 HG12 ILE 35 2HG1 ILE 35 -1.970 -10.320 -7.765 260 HG13 ILE 35 3HG1 ILE 35 -3.103 -11.339 -8.647 261 HG21 ILE 35 1HG2 ILE 35 -3.363 -8.199 -6.612 262 HG22 ILE 35 2HG2 ILE 35 -2.143 -8.005 -7.870 263 HG23 ILE 35 3HG2 ILE 35 -3.707 -7.206 -8.029 264 HD11 ILE 35 1HD1 ILE 35 -1.143 -10.962 -9.979 265 HD12 ILE 35 2HD1 ILE 35 -2.515 -10.134 -10.715 266 HD13 ILE 35 3HD1 ILE 35 -1.316 -9.215 -9.806 267 H GLN 36 HN GLN 36 -6.101 -9.751 -9.845 268 HA GLN 36 HA GLN 36 -6.778 -12.614 -9.922 269 HB2 GLN 36 2HB GLN 36 -8.732 -11.149 -9.900 270 HB3 GLN 36 3HB GLN 36 -8.114 -10.276 -11.297 271 HG2 GLN 36 2HG GLN 36 -8.192 -12.526 -12.506 272 HG3 GLN 36 3HG GLN 36 -9.196 -13.064 -11.160 273 HE21 GLN 36 1HE2 GLN 36 -9.112 -11.442 -14.119 274 HE22 GLN 36 2HE2 GLN 36 -10.740 -10.862 -14.130 275 H GLY 37 HN GLY 37 -5.696 -9.891 -11.928 276 HA2 GLY 37 1HA GLY 37 -3.647 -10.854 -13.275 277 HA3 GLY 37 2HA GLY 37 -4.941 -11.748 -14.059 278 H ASP 38 HN ASP 38 -5.074 -8.416 -12.903 279 HA ASP 38 HA ASP 38 -5.186 -7.502 -15.698 280 HB2 ASP 38 2HB ASP 38 -6.863 -5.955 -13.865 281 HB3 ASP 38 3HB ASP 38 -7.230 -6.583 -15.470 282 H SER 39 HN SER 39 -3.054 -6.758 -15.543 283 HA SER 39 HA SER 39 -2.804 -4.194 -14.181 284 HB2 SER 39 2HB SER 39 -0.953 -4.712 -12.886 285 HB3 SER 39 3HB SER 39 -1.870 -6.214 -12.772 286 HG SER 39 HG SER 39 0.585 -5.922 -13.632 287 H ALA 40 HN ALA 40 -2.011 -2.765 -15.563 288 HA ALA 40 HA ALA 40 -0.034 -3.633 -17.551 289 HB1 ALA 40 1HB ALA 40 -2.224 -1.757 -18.356 290 HB2 ALA 40 2HB ALA 40 -1.159 -2.730 -19.371 291 HB3 ALA 40 3HB ALA 40 -2.449 -3.504 -18.450 292 H ALA 41 HN ALA 41 -0.111 -1.049 -18.880 293 HA ALA 41 HA ALA 41 0.925 0.975 -18.783 294 HB1 ALA 41 1HB ALA 41 -0.513 0.819 -16.191 295 HB2 ALA 41 2HB ALA 41 0.679 2.103 -16.400 296 HB3 ALA 41 3HB ALA 41 -0.680 1.974 -17.515 297 H GLU 42 HN GLU 42 3.067 0.839 -18.989 298 HA GLU 42 HA GLU 42 4.645 0.121 -16.606 299 HB2 GLU 42 2HB GLU 42 5.859 -0.194 -19.295 300 HB3 GLU 42 3HB GLU 42 6.072 -1.163 -17.844 301 HG2 GLU 42 2HG GLU 42 3.527 -1.767 -18.395 302 HG3 GLU 42 3HG GLU 42 4.101 -1.415 -20.024 303 H VAL 43 HN VAL 43 3.708 2.762 -17.447 304 HA VAL 43 HA VAL 43 5.637 4.290 -18.740 305 HB VAL 43 HB VAL 43 3.644 4.996 -16.600 306 HG11 VAL 43 1HG1 VAL 43 5.597 6.828 -17.984 307 HG12 VAL 43 2HG1 VAL 43 4.167 7.382 -17.111 308 HG13 VAL 43 3HG1 VAL 43 5.451 6.530 -16.252 309 HG21 VAL 43 1HG2 VAL 43 2.258 5.502 -18.288 310 HG22 VAL 43 2HG2 VAL 43 3.532 6.274 -19.232 311 HG23 VAL 43 3HG2 VAL 43 3.345 4.520 -19.271 312 H THR 44 HN THR 44 5.171 4.115 -15.205 313 HA THR 44 HA THR 44 7.705 3.496 -14.404 314 HB THR 44 HB THR 44 7.532 6.310 -15.316 315 HG1 THR 44 1HG THR 44 9.416 4.228 -15.171 316 HG21 THR 44 1HG2 THR 44 9.373 6.864 -13.608 317 HG22 THR 44 2HG2 THR 44 8.738 5.502 -12.685 318 HG23 THR 44 3HG2 THR 44 7.701 6.881 -13.050 319 H GLU 45 HN GLU 45 5.278 6.027 -13.790 320 HA GLU 45 HA GLU 45 4.083 6.568 -11.932 321 HB2 GLU 45 2HB GLU 45 4.882 3.786 -11.059 322 HB3 GLU 45 3HB GLU 45 3.680 4.784 -10.254 323 HG2 GLU 45 2HG GLU 45 2.802 4.786 -12.845 324 HG3 GLU 45 3HG GLU 45 3.462 3.162 -12.663 325 H MET 46 HN MET 46 4.352 7.460 -9.865 326 HA MET 46 HA MET 46 6.909 7.098 -8.521 327 HB2 MET 46 2HB MET 46 5.991 9.691 -9.740 328 HB3 MET 46 3HB MET 46 7.103 9.661 -8.379 329 HG2 MET 46 2HG MET 46 8.133 7.854 -10.255 330 HG3 MET 46 3HG MET 46 7.626 9.274 -11.167 331 HE1 MET 46 1HE MET 46 11.571 8.829 -9.430 332 HE2 MET 46 2HE MET 46 10.303 7.623 -9.215 333 HE3 MET 46 3HE MET 46 10.723 8.183 -10.834 334 H ALA 47 HN ALA 47 4.356 6.299 -7.725 335 HA ALA 47 HA ALA 47 2.912 6.369 -5.966 336 HB1 ALA 47 1HB ALA 47 5.327 7.755 -4.867 337 HB2 ALA 47 2HB ALA 47 3.866 7.578 -3.893 338 HB3 ALA 47 3HB ALA 47 4.698 6.147 -4.502 339 H HIS 48 HN HIS 48 4.287 9.542 -5.269 340 HA HIS 48 HA HIS 48 1.883 10.850 -6.297 341 HB2 HIS 48 2HB HIS 48 1.970 10.229 -3.667 342 HB3 HIS 48 3HB HIS 48 2.771 11.797 -3.636 343 HD1 HIS 48 1HD HIS 48 -0.386 10.412 -5.270 344 HD2 HIS 48 2HD HIS 48 0.977 13.759 -3.221 345 HE1 HIS 48 1HE HIS 48 -2.375 11.939 -5.079 346 H THR 49 HN THR 49 4.011 11.127 -7.718 347 HA THR 49 HA THR 49 4.961 13.830 -7.120 348 HB THR 49 HB THR 49 6.693 11.420 -7.466 349 HG1 THR 49 1HG THR 49 7.439 13.725 -6.071 350 HG21 THR 49 1HG2 THR 49 7.443 12.658 -9.338 351 HG22 THR 49 2HG2 THR 49 8.576 13.028 -8.039 352 HG23 THR 49 3HG2 THR 49 7.320 14.188 -8.470 353 H GLU 50 HN GLU 50 4.812 11.173 -9.463 354 HA GLU 50 HA GLU 50 4.862 13.156 -11.635 355 HB2 GLU 50 2HB GLU 50 6.556 11.247 -11.585 356 HB3 GLU 50 3HB GLU 50 5.207 10.179 -11.944 357 HG2 GLU 50 2HG GLU 50 6.372 10.719 -13.971 358 HG3 GLU 50 3HG GLU 50 4.770 11.454 -13.999 359 H THR 51 HN THR 51 3.026 13.597 -12.647 360 HA THR 51 HA THR 51 0.555 12.520 -11.968 361 HB THR 51 HB THR 51 1.196 13.793 -14.632 362 HG1 THR 51 1HG THR 51 0.669 14.974 -12.093 363 HG21 THR 51 1HG2 THR 51 -0.993 13.233 -14.876 364 HG22 THR 51 2HG2 THR 51 -1.229 14.713 -13.947 365 HG23 THR 51 3HG2 THR 51 -1.276 13.148 -13.137 366 H GLY 52 HN GLY 52 -0.861 11.089 -13.011 367 HA2 GLY 52 1HA GLY 52 -1.490 9.410 -14.501 368 HA3 GLY 52 2HA GLY 52 0.072 9.561 -15.293 369 H TRP 53 HN TRP 53 -1.531 8.291 -12.405 370 HA TRP 53 HA TRP 53 0.535 6.192 -12.305 371 HB2 TRP 53 2HB TRP 53 -0.285 6.206 -9.752 372 HB3 TRP 53 3HB TRP 53 1.051 7.200 -10.327 373 HD1 TRP 53 1HD TRP 53 -2.810 7.678 -10.122 374 HE1 TRP 53 1HE TRP 53 -3.256 10.057 -9.246 375 HE3 TRP 53 3HE TRP 53 2.020 9.276 -9.616 376 HZ2 TRP 53 2HZ TRP 53 -1.759 12.311 -8.447 377 HZ3 TRP 53 3HZ TRP 53 2.426 11.558 -8.791 378 HH2 TRP 53 2HH TRP 53 0.575 13.043 -8.219 379 H SER 54 HN SER 54 -0.183 4.154 -12.365 380 HA SER 54 HA SER 54 -3.088 3.728 -12.194 381 HB2 SER 54 2HB SER 54 -1.991 3.173 -14.364 382 HB3 SER 54 3HB SER 54 -1.016 1.967 -13.523 383 HG SER 54 HG SER 54 -3.117 1.329 -14.599 384 H CYS 55 HN CYS 55 -3.906 1.910 -11.087 385 HA CYS 55 HA CYS 55 -2.129 0.263 -9.515 386 HB2 CYS 55 2HB CYS 55 -4.138 1.955 -8.031 387 HB3 CYS 55 3HB CYS 55 -2.873 0.933 -7.356 388 H HIS 56 HN HIS 56 -4.309 -0.287 -7.583 389 HA HIS 56 HA HIS 56 -5.710 -2.235 -9.192 390 HB2 HIS 56 2HB HIS 56 -4.764 -2.441 -6.734 391 HB3 HIS 56 3HB HIS 56 -6.341 -1.785 -6.304 392 HD1 HIS 56 1HD HIS 56 -7.802 -3.398 -8.695 393 HD2 HIS 56 2HD HIS 56 -5.383 -4.961 -5.701 394 HE1 HIS 56 1HE HIS 56 -8.464 -5.815 -8.490 395 H TYR 57 HN TYR 57 -6.260 0.942 -8.196 396 HA TYR 57 HA TYR 57 -8.916 0.921 -9.297 397 HB2 TYR 57 2HB TYR 57 -8.685 1.863 -6.446 398 HB3 TYR 57 3HB TYR 57 -10.145 1.574 -7.386 399 HD1 TYR 57 1HD TYR 57 -10.888 -0.744 -7.836 400 HD2 TYR 57 2HD TYR 57 -7.592 0.088 -5.277 401 HE1 TYR 57 1HE TYR 57 -11.037 -3.019 -6.912 402 HE2 TYR 57 2HE TYR 57 -7.732 -2.185 -4.347 403 HH TYR 57 HH TYR 57 -8.663 -4.217 -4.586 404 H CYS 58 HN CYS 58 -6.280 2.206 -9.681 405 HA CYS 58 HA CYS 58 -6.567 4.960 -8.933 406 HB2 CYS 58 2HB CYS 58 -4.503 3.312 -9.955 407 HB3 CYS 58 3HB CYS 58 -4.737 4.614 -11.115 408 H ASP 59 HN ASP 59 -8.014 3.071 -11.266 409 HA ASP 59 HA ASP 59 -9.324 3.517 -13.072 410 HB2 ASP 59 2HB ASP 59 -9.326 6.047 -11.539 411 HB3 ASP 59 3HB ASP 59 -9.827 6.174 -13.223 412 H ASN 60 HN ASN 60 -7.961 6.724 -13.291 413 HA ASN 60 HA ASN 60 -7.001 7.721 -15.138 414 HB2 ASN 60 2HB ASN 60 -5.182 5.987 -13.728 415 HB3 ASN 60 3HB ASN 60 -4.726 6.080 -15.426 416 HD21 ASN 60 1HD2 ASN 60 -5.554 8.674 -15.984 417 HD22 ASN 60 2HD2 ASN 60 -4.547 9.775 -15.113 Start of MODEL 4 1 H1 GLU 1 HN GLU 1 0.407 4.742 4.423 2 HA GLU 1 HA GLU 1 0.434 3.134 2.803 3 HB2 GLU 1 2HB GLU 1 2.688 4.972 2.106 4 HB3 GLU 1 3HB GLU 1 2.443 3.518 1.148 5 HG2 GLU 1 2HG GLU 1 1.363 5.519 0.195 6 HG3 GLU 1 3HG GLU 1 0.233 4.212 0.545 7 H MET 2 HN MET 2 0.781 1.327 4.126 8 HA MET 2 HA MET 2 3.501 0.217 3.942 9 HB2 MET 2 2HB MET 2 1.823 -0.619 6.237 10 HB3 MET 2 3HB MET 2 3.563 -0.385 6.140 11 HG2 MET 2 2HG MET 2 2.991 2.123 5.998 12 HG3 MET 2 3HG MET 2 1.416 1.636 6.617 13 HE1 MET 2 1HE MET 2 5.208 2.479 7.943 14 HE2 MET 2 2HE MET 2 5.420 0.885 8.667 15 HE3 MET 2 3HE MET 2 5.087 1.032 6.941 16 H CYS 3 HN CYS 3 3.430 -1.449 2.591 17 HA CYS 3 HA CYS 3 1.402 -2.746 1.449 18 HB2 CYS 3 2HB CYS 3 3.765 -3.256 0.990 19 HB3 CYS 3 3HB CYS 3 3.872 -4.131 2.515 20 H ASP 4 HN ASP 4 -0.397 -3.643 2.178 21 HA ASP 4 HA ASP 4 -0.863 -4.346 4.853 22 HB2 ASP 4 2HB ASP 4 -2.623 -3.763 3.174 23 HB3 ASP 4 3HB ASP 4 -2.378 -5.344 2.435 24 H VAL 5 HN VAL 5 0.922 -5.952 2.527 25 HA VAL 5 HA VAL 5 0.445 -8.593 3.722 26 HB VAL 5 HB VAL 5 1.954 -7.865 1.206 27 HG11 VAL 5 1HG1 VAL 5 1.529 -10.477 0.947 28 HG12 VAL 5 2HG1 VAL 5 2.968 -9.832 1.738 29 HG13 VAL 5 3HG1 VAL 5 1.607 -10.399 2.706 30 HG21 VAL 5 1HG2 VAL 5 -0.611 -7.633 1.296 31 HG22 VAL 5 2HG2 VAL 5 0.103 -8.552 -0.030 32 HG23 VAL 5 3HG2 VAL 5 -0.619 -9.397 1.339 33 H CYS 6 HN CYS 6 2.609 -5.987 3.773 34 HA CYS 6 HA CYS 6 4.595 -7.641 5.175 35 HB2 CYS 6 2HB CYS 6 5.242 -5.366 3.290 36 HB3 CYS 6 3HB CYS 6 6.406 -6.328 4.195 37 H GLU 7 HN GLU 7 3.728 -4.244 4.506 38 HA GLU 7 HA GLU 7 3.221 -2.555 5.987 39 HB2 GLU 7 2HB GLU 7 4.127 -4.218 8.312 40 HB3 GLU 7 3HB GLU 7 2.920 -2.942 8.269 41 HG2 GLU 7 2HG GLU 7 1.929 -4.880 6.555 42 HG3 GLU 7 3HG GLU 7 2.614 -5.788 7.901 43 H VAL 8 HN VAL 8 5.493 -2.451 4.634 44 HA VAL 8 HA VAL 8 7.277 -1.086 6.463 45 HB VAL 8 HB VAL 8 9.140 -2.476 4.987 46 HG11 VAL 8 1HG1 VAL 8 9.931 -3.174 7.028 47 HG12 VAL 8 2HG1 VAL 8 8.874 -1.848 7.519 48 HG13 VAL 8 3HG1 VAL 8 8.319 -3.517 7.658 49 HG21 VAL 8 1HG2 VAL 8 7.372 -4.622 6.067 50 HG22 VAL 8 2HG2 VAL 8 7.062 -3.981 4.453 51 HG23 VAL 8 3HG2 VAL 8 8.622 -4.712 4.827 52 H TRP 9 HN TRP 9 6.863 0.801 5.362 53 HA TRP 9 HA TRP 9 6.806 1.113 2.580 54 HB2 TRP 9 2HB TRP 9 6.016 3.059 3.374 55 HB3 TRP 9 3HB TRP 9 6.833 2.845 4.920 56 HD1 TRP 9 1HD TRP 9 9.469 3.691 4.993 57 HE1 TRP 9 1HE TRP 9 10.578 5.662 3.764 58 HE3 TRP 9 3HE TRP 9 5.992 4.414 1.316 59 HZ2 TRP 9 2HZ TRP 9 10.050 7.305 1.531 60 HZ3 TRP 9 3HZ TRP 9 6.368 6.207 -0.328 61 HH2 TRP 9 2HH TRP 9 8.356 7.622 -0.220 62 H THR 10 HN THR 10 8.333 1.740 1.078 63 HA THR 10 HA THR 10 11.114 1.244 1.865 64 HB THR 10 HB THR 10 11.355 1.325 -0.766 65 HG1 THR 10 1HG THR 10 8.902 0.140 -0.931 66 HG21 THR 10 1HG2 THR 10 10.063 -1.008 0.655 67 HG22 THR 10 2HG2 THR 10 11.785 -0.630 0.674 68 HG23 THR 10 3HG2 THR 10 10.997 -1.082 -0.838 69 H ALA 11 HN ALA 11 10.266 3.028 -1.002 70 HA ALA 11 HA ALA 11 10.298 5.636 -0.307 71 HB1 ALA 11 1HB ALA 11 12.204 5.929 0.832 72 HB2 ALA 11 2HB ALA 11 12.919 4.440 0.211 73 HB3 ALA 11 3HB ALA 11 12.972 5.914 -0.757 74 H GLU 12 HN GLU 12 12.171 3.431 -2.370 75 HA GLU 12 HA GLU 12 12.567 5.045 -4.568 76 HB2 GLU 12 2HB GLU 12 13.038 3.116 -5.775 77 HB3 GLU 12 3HB GLU 12 13.304 2.598 -4.116 78 HG2 GLU 12 2HG GLU 12 11.045 1.619 -4.089 79 HG3 GLU 12 3HG GLU 12 10.850 2.078 -5.780 80 H SER 13 HN SER 13 9.725 3.070 -3.794 81 HA SER 13 HA SER 13 7.751 4.681 -4.670 82 HB2 SER 13 2HB SER 13 8.188 4.994 -6.871 83 HB3 SER 13 3HB SER 13 9.239 3.582 -6.962 84 HG SER 13 HG SER 13 6.923 3.717 -7.996 85 H LEU 14 HN LEU 14 6.683 3.506 -3.097 86 HA LEU 14 HA LEU 14 6.448 0.736 -2.948 87 HB2 LEU 14 2HB LEU 14 5.304 3.012 -1.672 88 HB3 LEU 14 3HB LEU 14 4.012 1.879 -2.063 89 HG LEU 14 HG LEU 14 6.478 1.005 -0.590 90 HD11 LEU 14 1HD1 LEU 14 4.313 2.710 0.365 91 HD12 LEU 14 2HD1 LEU 14 5.881 2.352 1.088 92 HD13 LEU 14 3HD1 LEU 14 4.530 1.243 1.319 93 HD21 LEU 14 1HD2 LEU 14 3.737 -0.085 -1.090 94 HD22 LEU 14 2HD2 LEU 14 4.660 -0.599 0.322 95 HD23 LEU 14 3HD2 LEU 14 5.306 -0.863 -1.297 96 H PHE 15 HN PHE 15 4.131 -0.316 -3.089 97 HA PHE 15 HA PHE 15 2.816 0.451 -5.592 98 HB2 PHE 15 2HB PHE 15 4.131 -2.174 -4.989 99 HB3 PHE 15 3HB PHE 15 2.722 -2.126 -6.043 100 HD1 PHE 15 1HD PHE 15 6.080 -0.591 -5.595 101 HD2 PHE 15 2HD PHE 15 2.991 -1.708 -8.301 102 HE1 PHE 15 1HE PHE 15 7.528 0.011 -7.493 103 HE2 PHE 15 2HE PHE 15 4.434 -1.111 -10.202 104 HZ PHE 15 HZ PHE 15 6.706 -0.250 -9.799 105 HA PRO 16 HA PRO 16 1.283 -0.823 -6.893 106 HB2 PRO 16 2HB PRO 16 -1.155 0.228 -7.462 107 HB3 PRO 16 3HB PRO 16 -0.892 -1.500 -7.198 108 HG2 PRO 16 2HG PRO 16 -1.939 0.568 -5.303 109 HG3 PRO 16 3HG PRO 16 -2.514 -1.085 -5.585 110 HD2 PRO 16 2HD PRO 16 -0.947 -0.426 -3.477 111 HD3 PRO 16 3HD PRO 16 -0.870 -2.016 -4.264 112 H CYS 17 HN CYS 17 -0.413 1.740 -5.076 113 HA CYS 17 HA CYS 17 1.175 3.723 -6.569 114 HB2 CYS 17 2HB CYS 17 -0.942 5.115 -5.460 115 HB3 CYS 17 3HB CYS 17 -0.823 4.578 -7.132 116 H ARG 18 HN ARG 18 0.766 5.947 -5.073 117 HA ARG 18 HA ARG 18 1.970 5.235 -2.479 118 HB2 ARG 18 2HB ARG 18 3.374 7.106 -2.600 119 HB3 ARG 18 3HB ARG 18 3.391 6.462 -4.236 120 HG2 ARG 18 2HG ARG 18 3.166 8.744 -4.556 121 HG3 ARG 18 3HG ARG 18 1.509 8.151 -4.696 122 HD2 ARG 18 2HD ARG 18 0.840 9.198 -2.813 123 HD3 ARG 18 3HD ARG 18 2.361 8.886 -1.978 124 HE ARG 18 HE ARG 18 2.606 10.841 -4.057 125 HH11 ARG 18 1HH1 ARG 18 1.701 10.328 -0.734 126 HH12 ARG 18 2HH1 ARG 18 2.017 11.963 -0.260 127 HH21 ARG 18 1HH2 ARG 18 3.026 12.997 -3.444 128 HH22 ARG 18 2HH2 ARG 18 2.770 13.481 -1.801 129 H VAL 19 HN VAL 19 -0.734 6.518 -3.942 130 HA VAL 19 HA VAL 19 -1.369 8.311 -1.712 131 HB VAL 19 HB VAL 19 -2.817 7.866 -4.327 132 HG11 VAL 19 1HG1 VAL 19 -4.427 8.474 -2.671 133 HG12 VAL 19 2HG1 VAL 19 -3.380 9.748 -2.042 134 HG13 VAL 19 3HG1 VAL 19 -4.095 9.905 -3.646 135 HG21 VAL 19 1HG2 VAL 19 -0.711 9.009 -4.645 136 HG22 VAL 19 2HG2 VAL 19 -2.038 10.154 -4.842 137 HG23 VAL 19 3HG2 VAL 19 -1.097 10.144 -3.352 138 H CYS 20 HN CYS 20 -3.071 5.813 -3.616 139 HA CYS 20 HA CYS 20 -5.227 5.371 -2.006 140 HB2 CYS 20 2HB CYS 20 -3.595 3.403 -3.609 141 HB3 CYS 20 3HB CYS 20 -5.103 2.959 -2.816 142 H THR 21 HN THR 21 -5.288 5.118 0.123 143 HA THR 21 HA THR 21 -3.418 4.567 1.936 144 HB THR 21 HB THR 21 -5.232 3.221 3.229 145 HG1 THR 21 1HG THR 21 -6.895 4.347 1.221 146 HG21 THR 21 1HG2 THR 21 -6.594 5.401 3.472 147 HG22 THR 21 2HG2 THR 21 -5.416 6.086 2.352 148 HG23 THR 21 3HG2 THR 21 -4.884 5.430 3.900 149 H ARG 22 HN ARG 22 -5.507 1.787 1.589 150 HA ARG 22 HA ARG 22 -3.737 -0.148 2.279 151 HB2 ARG 22 2HB ARG 22 -5.948 -0.340 0.228 152 HB3 ARG 22 3HB ARG 22 -5.113 -1.731 0.907 153 HG2 ARG 22 2HG ARG 22 -6.339 0.212 2.788 154 HG3 ARG 22 3HG ARG 22 -7.404 -0.864 1.882 155 HD2 ARG 22 2HD ARG 22 -6.023 -2.782 2.687 156 HD3 ARG 22 3HD ARG 22 -5.141 -1.650 3.711 157 HE ARG 22 HE ARG 22 -6.869 -1.755 5.187 158 HH11 ARG 22 1HH1 ARG 22 -8.055 -2.662 2.042 159 HH12 ARG 22 2HH1 ARG 22 -9.646 -3.047 2.610 160 HH21 ARG 22 1HH2 ARG 22 -8.960 -2.260 5.947 161 HH22 ARG 22 2HH2 ARG 22 -10.160 -2.818 4.830 162 H VAL 23 HN VAL 23 -1.736 -0.447 1.549 163 HA VAL 23 HA VAL 23 -1.241 -0.264 -1.347 164 HB VAL 23 HB VAL 23 1.167 -0.069 -0.721 165 HG11 VAL 23 1HG1 VAL 23 -0.707 1.854 -0.873 166 HG12 VAL 23 2HG1 VAL 23 -0.106 2.140 0.762 167 HG13 VAL 23 3HG1 VAL 23 1.005 2.180 -0.608 168 HG21 VAL 23 1HG2 VAL 23 0.400 -1.030 1.703 169 HG22 VAL 23 2HG2 VAL 23 1.922 -0.192 1.394 170 HG23 VAL 23 3HG2 VAL 23 0.542 0.695 2.043 171 H PHE 24 HN PHE 24 -0.013 -1.865 -2.392 172 HA PHE 24 HA PHE 24 0.675 -4.279 -0.928 173 HB2 PHE 24 2HB PHE 24 -0.674 -5.265 -3.186 174 HB3 PHE 24 3HB PHE 24 -1.168 -5.409 -1.503 175 HD1 PHE 24 1HD PHE 24 -2.582 -3.529 -0.521 176 HD2 PHE 24 2HD PHE 24 -1.954 -4.051 -4.698 177 HE1 PHE 24 1HE PHE 24 -4.576 -2.164 -0.988 178 HE2 PHE 24 2HE PHE 24 -3.946 -2.685 -5.172 179 HZ PHE 24 HZ PHE 24 -5.259 -1.740 -3.316 180 H HIS 25 HN HIS 25 2.597 -4.926 -1.615 181 HA HIS 25 HA HIS 25 3.930 -3.781 -3.807 182 HB2 HIS 25 2HB HIS 25 4.541 -6.333 -2.303 183 HB3 HIS 25 3HB HIS 25 5.646 -5.530 -3.414 184 HD2 HIS 25 2HD HIS 25 4.392 -2.590 -1.742 185 HE1 HIS 25 1HE HIS 25 7.222 -4.103 1.033 186 HE2 HIS 25 2HE HIS 25 5.766 -2.146 0.404 187 H ASP 26 HN ASP 26 3.661 -4.132 -5.899 188 HA ASP 26 HA ASP 26 1.940 -5.919 -7.068 189 HB2 ASP 26 2HB ASP 26 2.850 -4.065 -8.321 190 HB3 ASP 26 3HB ASP 26 4.476 -4.732 -8.208 191 H GLY 27 HN GLY 27 5.021 -6.560 -5.716 192 HA2 GLY 27 1HA GLY 27 5.350 -9.067 -7.178 193 HA3 GLY 27 2HA GLY 27 6.484 -8.378 -6.026 194 H CYS 28 HN CYS 28 4.233 -7.931 -4.091 195 HA CYS 28 HA CYS 28 4.515 -10.362 -2.661 196 HB2 CYS 28 2HB CYS 28 3.150 -7.771 -2.252 197 HB3 CYS 28 3HB CYS 28 2.455 -9.140 -1.391 198 H LEU 29 HN LEU 29 1.528 -8.819 -3.858 199 HA LEU 29 HA LEU 29 -0.278 -10.787 -3.464 200 HB2 LEU 29 2HB LEU 29 -0.269 -9.487 -6.147 201 HB3 LEU 29 3HB LEU 29 -1.620 -9.810 -5.063 202 HG LEU 29 HG LEU 29 -0.211 -7.986 -3.621 203 HD11 LEU 29 1HD1 LEU 29 1.268 -7.801 -5.733 204 HD12 LEU 29 2HD1 LEU 29 0.718 -6.325 -4.940 205 HD13 LEU 29 3HD1 LEU 29 -0.087 -6.893 -6.402 206 HD21 LEU 29 1HD2 LEU 29 -2.092 -6.887 -5.621 207 HD22 LEU 29 2HD2 LEU 29 -2.065 -6.707 -3.867 208 HD23 LEU 29 3HD2 LEU 29 -2.692 -8.188 -4.593 209 H ARG 30 HN ARG 30 2.018 -10.629 -6.157 210 HA ARG 30 HA ARG 30 1.129 -12.847 -7.593 211 HB2 ARG 30 2HB ARG 30 3.715 -11.387 -7.364 212 HB3 ARG 30 3HB ARG 30 3.730 -12.960 -8.149 213 HG2 ARG 30 2HG ARG 30 1.680 -11.897 -9.458 214 HG3 ARG 30 3HG ARG 30 2.525 -10.406 -9.033 215 HD2 ARG 30 2HD ARG 30 3.978 -10.748 -10.675 216 HD3 ARG 30 3HD ARG 30 4.446 -12.287 -9.953 217 HE ARG 30 HE ARG 30 2.061 -12.674 -11.353 218 HH11 ARG 30 1HH1 ARG 30 5.396 -11.897 -11.981 219 HH12 ARG 30 2HH1 ARG 30 5.403 -12.619 -13.556 220 HH21 ARG 30 1HH2 ARG 30 2.057 -13.628 -13.425 221 HH22 ARG 30 2HH2 ARG 30 3.503 -13.603 -14.378 222 H ARG 31 HN ARG 31 3.484 -12.645 -4.948 223 HA ARG 31 HA ARG 31 3.723 -15.553 -4.901 224 HB2 ARG 31 2HB ARG 31 5.484 -13.445 -4.324 225 HB3 ARG 31 3HB ARG 31 5.136 -14.200 -2.775 226 HG2 ARG 31 2HG ARG 31 5.669 -16.412 -3.960 227 HG3 ARG 31 3HG ARG 31 6.400 -15.401 -5.208 228 HD2 ARG 31 2HD ARG 31 7.785 -14.336 -3.426 229 HD3 ARG 31 3HD ARG 31 7.143 -15.520 -2.290 230 HE ARG 31 HE ARG 31 8.377 -16.637 -4.651 231 HH11 ARG 31 1HH1 ARG 31 8.815 -15.596 -1.358 232 HH12 ARG 31 2HH1 ARG 31 10.230 -16.564 -1.103 233 HH21 ARG 31 1HH2 ARG 31 10.237 -17.916 -4.328 234 HH22 ARG 31 2HH2 ARG 31 11.038 -17.883 -2.794 235 H MET 32 HN MET 32 1.498 -13.529 -3.817 236 HA MET 32 HA MET 32 1.215 -14.792 -1.178 237 HB2 MET 32 2HB MET 32 0.942 -12.625 -0.604 238 HB3 MET 32 3HB MET 32 0.560 -12.136 -2.250 239 HG2 MET 32 2HG MET 32 -1.337 -11.701 -0.880 240 HG3 MET 32 3HG MET 32 -1.720 -13.059 -1.937 241 HE1 MET 32 1HE MET 32 -0.388 -12.629 2.099 242 HE2 MET 32 2HE MET 32 -1.478 -11.534 1.248 243 HE3 MET 32 3HE MET 32 -2.124 -12.697 2.406 244 H GLY 33 HN GLY 33 -0.319 -14.329 -4.285 245 HA2 GLY 33 1HA GLY 33 -1.890 -15.755 -5.263 246 HA3 GLY 33 2HA GLY 33 -2.135 -16.520 -3.699 247 H TYR 34 HN TYR 34 -2.328 -13.066 -4.383 248 HA TYR 34 HA TYR 34 -5.241 -13.150 -4.204 249 HB2 TYR 34 2HB TYR 34 -5.398 -12.266 -2.154 250 HB3 TYR 34 3HB TYR 34 -3.674 -12.561 -1.964 251 HD1 TYR 34 1HD TYR 34 -6.251 -10.060 -2.386 252 HD2 TYR 34 2HD TYR 34 -2.051 -10.734 -2.468 253 HE1 TYR 34 1HE TYR 34 -5.866 -7.638 -2.194 254 HE2 TYR 34 2HE TYR 34 -1.654 -8.314 -2.275 255 HH TYR 34 HH TYR 34 -3.292 -6.259 -1.207 256 H ILE 35 HN ILE 35 -2.746 -12.250 -5.927 257 HA ILE 35 HA ILE 35 -3.094 -9.475 -6.372 258 HB ILE 35 HB ILE 35 -1.130 -11.039 -7.069 259 HG12 ILE 35 2HG1 ILE 35 -1.969 -9.010 -9.129 260 HG13 ILE 35 3HG1 ILE 35 -1.505 -8.522 -7.502 261 HG21 ILE 35 1HG2 ILE 35 -1.187 -11.873 -9.304 262 HG22 ILE 35 2HG2 ILE 35 -2.611 -12.486 -8.467 263 HG23 ILE 35 3HG2 ILE 35 -2.764 -11.141 -9.597 264 HD11 ILE 35 1HD1 ILE 35 0.163 -9.747 -9.653 265 HD12 ILE 35 2HD1 ILE 35 0.452 -8.289 -8.701 266 HD13 ILE 35 3HD1 ILE 35 0.639 -9.878 -7.960 267 H GLN 36 HN GLN 36 -3.984 -8.437 -8.250 268 HA GLN 36 HA GLN 36 -6.194 -9.951 -9.479 269 HB2 GLN 36 2HB GLN 36 -6.142 -7.053 -8.624 270 HB3 GLN 36 3HB GLN 36 -7.432 -7.783 -9.570 271 HG2 GLN 36 2HG GLN 36 -8.407 -8.594 -7.757 272 HG3 GLN 36 3HG GLN 36 -6.903 -9.323 -7.196 273 HE21 GLN 36 1HE2 GLN 36 -5.378 -7.865 -6.102 274 HE22 GLN 36 2HE2 GLN 36 -6.017 -6.606 -5.106 275 H GLY 37 HN GLY 37 -4.571 -6.808 -9.985 276 HA2 GLY 37 1HA GLY 37 -4.117 -7.624 -12.787 277 HA3 GLY 37 2HA GLY 37 -4.757 -6.035 -12.391 278 H ASP 38 HN ASP 38 -2.454 -6.353 -13.902 279 HA ASP 38 HA ASP 38 -0.298 -5.622 -12.039 280 HB2 ASP 38 2HB ASP 38 0.542 -7.377 -13.311 281 HB3 ASP 38 3HB ASP 38 -0.310 -6.864 -14.765 282 H SER 39 HN SER 39 0.845 -3.725 -12.304 283 HA SER 39 HA SER 39 -0.566 -1.537 -13.416 284 HB2 SER 39 2HB SER 39 0.791 -1.014 -11.565 285 HB3 SER 39 3HB SER 39 2.188 -1.854 -12.238 286 HG SER 39 HG SER 39 1.068 0.393 -13.527 287 H ALA 40 HN ALA 40 -0.026 -0.193 -15.165 288 HA ALA 40 HA ALA 40 1.924 -1.242 -17.087 289 HB1 ALA 40 1HB ALA 40 -0.424 -2.059 -17.596 290 HB2 ALA 40 2HB ALA 40 -0.815 -0.381 -17.974 291 HB3 ALA 40 3HB ALA 40 0.424 -1.227 -18.901 292 H ALA 41 HN ALA 41 1.307 0.536 -19.165 293 HA ALA 41 HA ALA 41 1.422 2.738 -19.834 294 HB1 ALA 41 1HB ALA 41 1.792 3.897 -17.156 295 HB2 ALA 41 2HB ALA 41 0.722 4.385 -18.470 296 HB3 ALA 41 3HB ALA 41 0.266 3.051 -17.411 297 H GLU 42 HN GLU 42 3.583 1.088 -17.823 298 HA GLU 42 HA GLU 42 5.805 1.416 -17.265 299 HB2 GLU 42 2HB GLU 42 6.249 2.153 -20.119 300 HB3 GLU 42 3HB GLU 42 7.109 0.996 -19.114 301 HG2 GLU 42 2HG GLU 42 4.647 -0.144 -19.260 302 HG3 GLU 42 3HG GLU 42 4.778 0.627 -20.839 303 H VAL 43 HN VAL 43 4.308 3.805 -16.834 304 HA VAL 43 HA VAL 43 5.373 6.116 -17.945 305 HB VAL 43 HB VAL 43 4.177 5.560 -15.247 306 HG11 VAL 43 1HG1 VAL 43 5.651 7.961 -16.134 307 HG12 VAL 43 2HG1 VAL 43 4.110 8.238 -15.319 308 HG13 VAL 43 3HG1 VAL 43 5.387 7.326 -14.511 309 HG21 VAL 43 1HG2 VAL 43 2.932 7.565 -16.926 310 HG22 VAL 43 2HG2 VAL 43 3.108 6.024 -17.766 311 HG23 VAL 43 3HG2 VAL 43 2.247 6.096 -16.229 312 H THR 44 HN THR 44 6.118 5.269 -14.588 313 HA THR 44 HA THR 44 8.881 4.971 -14.836 314 HB THR 44 HB THR 44 7.979 7.751 -14.883 315 HG1 THR 44 1HG THR 44 10.666 7.058 -15.085 316 HG21 THR 44 1HG2 THR 44 9.924 6.841 -12.770 317 HG22 THR 44 2HG2 THR 44 8.483 7.839 -12.569 318 HG23 THR 44 3HG2 THR 44 9.898 8.490 -13.395 319 H GLU 45 HN GLU 45 6.314 6.365 -12.838 320 HA GLU 45 HA GLU 45 5.814 6.167 -10.627 321 HB2 GLU 45 2HB GLU 45 7.272 3.718 -10.080 322 HB3 GLU 45 3HB GLU 45 5.540 4.020 -10.054 323 HG2 GLU 45 2HG GLU 45 5.793 3.914 -12.658 324 HG3 GLU 45 3HG GLU 45 7.255 3.011 -12.264 325 H MET 46 HN MET 46 6.761 7.595 -9.328 326 HA MET 46 HA MET 46 9.408 6.955 -8.252 327 HB2 MET 46 2HB MET 46 8.624 9.647 -9.382 328 HB3 MET 46 3HB MET 46 10.087 9.337 -8.458 329 HG2 MET 46 2HG MET 46 9.910 7.467 -10.611 330 HG3 MET 46 3HG MET 46 9.700 9.105 -11.228 331 HE1 MET 46 1HE MET 46 11.935 6.827 -11.672 332 HE2 MET 46 2HE MET 46 12.230 8.289 -12.612 333 HE3 MET 46 3HE MET 46 13.508 7.622 -11.595 334 H ALA 47 HN ALA 47 6.457 7.073 -7.414 335 HA ALA 47 HA ALA 47 5.279 7.531 -5.520 336 HB1 ALA 47 1HB ALA 47 6.415 7.068 -3.657 337 HB2 ALA 47 2HB ALA 47 7.835 6.924 -4.694 338 HB3 ALA 47 3HB ALA 47 7.494 8.447 -3.872 339 H HIS 48 HN HIS 48 6.519 9.771 -7.384 340 HA HIS 48 HA HIS 48 5.229 11.939 -5.930 341 HB2 HIS 48 2HB HIS 48 7.925 11.749 -5.706 342 HB3 HIS 48 3HB HIS 48 7.795 12.727 -7.166 343 HD1 HIS 48 1HD HIS 48 7.329 12.847 -3.490 344 HD2 HIS 48 2HD HIS 48 6.623 15.285 -6.780 345 HE1 HIS 48 1HE HIS 48 6.867 15.133 -2.548 346 H THR 49 HN THR 49 6.923 10.937 -8.878 347 HA THR 49 HA THR 49 6.213 12.901 -10.636 348 HB THR 49 HB THR 49 5.945 10.872 -12.318 349 HG1 THR 49 1HG THR 49 6.865 8.995 -11.529 350 HG21 THR 49 1HG2 THR 49 8.312 10.876 -12.636 351 HG22 THR 49 2HG2 THR 49 8.596 11.364 -10.965 352 HG23 THR 49 3HG2 THR 49 7.856 12.492 -12.101 353 H GLU 50 HN GLU 50 4.545 12.883 -12.364 354 HA GLU 50 HA GLU 50 1.930 12.405 -11.170 355 HB2 GLU 50 2HB GLU 50 2.517 14.604 -12.224 356 HB3 GLU 50 3HB GLU 50 2.585 13.784 -13.776 357 HG2 GLU 50 2HG GLU 50 0.469 14.858 -13.587 358 HG3 GLU 50 3HG GLU 50 0.216 13.117 -13.469 359 H THR 51 HN THR 51 0.192 11.466 -12.462 360 HA THR 51 HA THR 51 -0.586 9.489 -13.364 361 HB THR 51 HB THR 51 0.895 9.961 -15.869 362 HG1 THR 51 1HG THR 51 -0.815 11.967 -14.775 363 HG21 THR 51 1HG2 THR 51 -2.064 10.026 -15.288 364 HG22 THR 51 2HG2 THR 51 -1.160 8.541 -15.585 365 HG23 THR 51 3HG2 THR 51 -1.277 9.769 -16.845 366 H GLY 52 HN GLY 52 1.937 9.146 -11.952 367 HA2 GLY 52 1HA GLY 52 3.238 7.073 -13.593 368 HA3 GLY 52 2HA GLY 52 3.970 7.877 -12.212 369 H TRP 53 HN TRP 53 1.371 7.574 -10.717 370 HA TRP 53 HA TRP 53 1.802 4.776 -9.923 371 HB2 TRP 53 2HB TRP 53 0.263 6.069 -7.956 372 HB3 TRP 53 3HB TRP 53 1.961 5.613 -7.856 373 HD1 TRP 53 1HD TRP 53 3.780 7.549 -8.392 374 HE1 TRP 53 1HE TRP 53 3.611 10.112 -8.222 375 HE3 TRP 53 3HE TRP 53 -1.308 8.016 -8.229 376 HZ2 TRP 53 2HZ TRP 53 1.588 12.071 -8.042 377 HZ3 TRP 53 3HZ TRP 53 -2.280 10.270 -8.057 378 HH2 TRP 53 2HH TRP 53 -0.861 12.254 -7.965 379 H SER 54 HN SER 54 0.333 3.426 -10.713 380 HA SER 54 HA SER 54 -2.487 4.268 -10.701 381 HB2 SER 54 2HB SER 54 -2.390 2.460 -12.761 382 HB3 SER 54 3HB SER 54 -2.372 4.211 -12.958 383 HG SER 54 HG SER 54 -0.611 3.534 -14.043 384 H CYS 55 HN CYS 55 -4.020 2.623 -10.333 385 HA CYS 55 HA CYS 55 -3.068 -0.045 -9.679 386 HB2 CYS 55 2HB CYS 55 -3.899 -0.052 -7.429 387 HB3 CYS 55 3HB CYS 55 -2.823 1.331 -7.594 388 H HIS 56 HN HIS 56 -5.267 -1.072 -8.456 389 HA HIS 56 HA HIS 56 -7.098 -1.301 -10.631 390 HB2 HIS 56 2HB HIS 56 -6.399 -2.960 -8.619 391 HB3 HIS 56 3HB HIS 56 -7.906 -2.320 -7.968 392 HD1 HIS 56 1HD HIS 56 -10.088 -2.828 -9.340 393 HD2 HIS 56 2HD HIS 56 -6.672 -4.767 -10.693 394 HE1 HIS 56 1HE HIS 56 -10.908 -4.636 -10.883 395 H TYR 57 HN TYR 57 -7.566 -0.222 -7.261 396 HA TYR 57 HA TYR 57 -10.080 1.030 -7.974 397 HB2 TYR 57 2HB TYR 57 -8.772 1.327 -5.293 398 HB3 TYR 57 3HB TYR 57 -10.484 1.243 -5.690 399 HD1 TYR 57 1HD TYR 57 -11.150 -1.094 -6.869 400 HD2 TYR 57 2HD TYR 57 -7.872 -0.499 -4.223 401 HE1 TYR 57 1HE TYR 57 -11.160 -3.493 -6.327 402 HE2 TYR 57 2HE TYR 57 -7.873 -2.896 -3.673 403 HH TYR 57 HH TYR 57 -10.420 -4.968 -4.490 404 H CYS 58 HN CYS 58 -7.534 2.040 -9.086 405 HA CYS 58 HA CYS 58 -6.925 4.518 -7.809 406 HB2 CYS 58 2HB CYS 58 -5.846 2.967 -9.913 407 HB3 CYS 58 3HB CYS 58 -6.236 4.540 -10.599 408 H ASP 59 HN ASP 59 -8.237 4.013 -11.083 409 HA ASP 59 HA ASP 59 -10.463 5.750 -10.648 410 HB2 ASP 59 2HB ASP 59 -8.350 7.256 -10.932 411 HB3 ASP 59 3HB ASP 59 -8.494 6.833 -12.636 412 H ASN 60 HN ASN 60 -8.272 4.608 -13.218 413 HA ASN 60 HA ASN 60 -10.162 2.882 -14.379 414 HB2 ASN 60 2HB ASN 60 -10.802 4.072 -16.373 415 HB3 ASN 60 3HB ASN 60 -11.230 5.065 -14.982 416 HD21 ASN 60 1HD2 ASN 60 -10.973 7.106 -15.516 417 HD22 ASN 60 2HD2 ASN 60 -9.611 7.778 -16.340 Start of MODEL 5 1 H1 GLU 1 HN GLU 1 1.283 4.775 5.785 2 HA GLU 1 HA GLU 1 0.604 2.899 4.690 3 HB2 GLU 1 2HB GLU 1 2.079 4.342 2.508 4 HB3 GLU 1 3HB GLU 1 1.401 2.744 2.227 5 HG2 GLU 1 2HG GLU 1 -0.288 4.106 1.488 6 HG3 GLU 1 3HG GLU 1 -0.785 3.795 3.150 7 H MET 2 HN MET 2 1.240 0.811 4.688 8 HA MET 2 HA MET 2 4.021 0.125 4.189 9 HB2 MET 2 2HB MET 2 2.848 -0.941 6.719 10 HB3 MET 2 3HB MET 2 4.536 -0.717 6.277 11 HG2 MET 2 2HG MET 2 4.031 1.790 6.392 12 HG3 MET 2 3HG MET 2 2.565 1.315 7.246 13 HE1 MET 2 1HE MET 2 6.851 1.357 8.435 14 HE2 MET 2 2HE MET 2 6.492 -0.329 8.065 15 HE3 MET 2 3HE MET 2 6.193 0.921 6.857 16 H CYS 3 HN CYS 3 3.923 -1.509 2.806 17 HA CYS 3 HA CYS 3 1.871 -2.948 1.904 18 HB2 CYS 3 2HB CYS 3 4.150 -3.226 1.056 19 HB3 CYS 3 3HB CYS 3 4.601 -4.099 2.517 20 H ASP 4 HN ASP 4 0.264 -3.951 2.905 21 HA ASP 4 HA ASP 4 0.304 -4.845 5.555 22 HB2 ASP 4 2HB ASP 4 -1.657 -4.422 3.760 23 HB3 ASP 4 3HB ASP 4 -1.573 -6.180 3.687 24 H VAL 5 HN VAL 5 1.744 -6.200 2.848 25 HA VAL 5 HA VAL 5 1.662 -8.922 3.946 26 HB VAL 5 HB VAL 5 2.649 -7.963 1.256 27 HG11 VAL 5 1HG1 VAL 5 2.445 -10.716 2.459 28 HG12 VAL 5 2HG1 VAL 5 2.622 -10.423 0.728 29 HG13 VAL 5 3HG1 VAL 5 3.885 -9.905 1.844 30 HG21 VAL 5 1HG2 VAL 5 0.313 -7.761 1.222 31 HG22 VAL 5 2HG2 VAL 5 0.632 -9.332 0.486 32 HG23 VAL 5 3HG2 VAL 5 0.083 -9.237 2.159 33 H CYS 6 HN CYS 6 3.583 -6.178 3.932 34 HA CYS 6 HA CYS 6 5.887 -7.737 4.855 35 HB2 CYS 6 2HB CYS 6 6.013 -5.478 2.847 36 HB3 CYS 6 3HB CYS 6 7.416 -6.183 3.643 37 H GLU 7 HN GLU 7 4.799 -4.369 4.388 38 HA GLU 7 HA GLU 7 4.461 -2.718 5.956 39 HB2 GLU 7 2HB GLU 7 5.763 -4.328 8.115 40 HB3 GLU 7 3HB GLU 7 4.460 -3.154 8.233 41 HG2 GLU 7 2HG GLU 7 3.473 -5.229 6.636 42 HG3 GLU 7 3HG GLU 7 4.327 -6.004 7.968 43 H VAL 8 HN VAL 8 6.185 -1.875 4.525 44 HA VAL 8 HA VAL 8 8.326 -0.816 6.081 45 HB VAL 8 HB VAL 8 9.852 -1.856 3.998 46 HG11 VAL 8 1HG1 VAL 8 9.915 -3.267 6.596 47 HG12 VAL 8 2HG1 VAL 8 11.220 -2.505 5.683 48 HG13 VAL 8 3HG1 VAL 8 10.117 -1.515 6.640 49 HG21 VAL 8 1HG2 VAL 8 9.498 -4.163 3.872 50 HG22 VAL 8 2HG2 VAL 8 8.430 -4.170 5.275 51 HG23 VAL 8 3HG2 VAL 8 7.879 -3.475 3.752 52 H TRP 9 HN TRP 9 7.666 1.187 5.415 53 HA TRP 9 HA TRP 9 7.151 1.820 2.676 54 HB2 TRP 9 2HB TRP 9 6.021 3.375 3.860 55 HB3 TRP 9 3HB TRP 9 7.082 3.214 5.257 56 HD1 TRP 9 1HD TRP 9 9.211 4.838 5.379 57 HE1 TRP 9 1HE TRP 9 9.741 7.061 4.195 58 HE3 TRP 9 3HE TRP 9 5.706 4.635 1.662 59 HZ2 TRP 9 2HZ TRP 9 8.799 8.534 1.980 60 HZ3 TRP 9 3HZ TRP 9 5.587 6.492 0.051 61 HH2 TRP 9 2HH TRP 9 7.101 8.400 0.209 62 H THR 10 HN THR 10 8.333 3.678 1.603 63 HA THR 10 HA THR 10 11.181 3.788 2.227 64 HB THR 10 HB THR 10 11.497 3.500 -0.394 65 HG1 THR 10 1HG THR 10 10.061 1.977 -1.225 66 HG21 THR 10 1HG2 THR 10 12.123 2.019 1.809 67 HG22 THR 10 2HG2 THR 10 12.604 1.619 0.160 68 HG23 THR 10 3HG2 THR 10 11.173 0.870 0.868 69 H ALA 11 HN ALA 11 9.865 4.596 -0.900 70 HA ALA 11 HA ALA 11 8.929 7.130 -0.646 71 HB1 ALA 11 1HB ALA 11 10.694 8.096 0.441 72 HB2 ALA 11 2HB ALA 11 11.888 7.062 -0.345 73 HB3 ALA 11 3HB ALA 11 11.157 8.398 -1.234 74 H GLU 12 HN GLU 12 10.962 4.933 -2.405 75 HA GLU 12 HA GLU 12 11.111 6.216 -4.877 76 HB2 GLU 12 2HB GLU 12 11.197 3.358 -4.003 77 HB3 GLU 12 3HB GLU 12 11.100 3.721 -5.721 78 HG2 GLU 12 2HG GLU 12 13.104 5.325 -5.159 79 HG3 GLU 12 3HG GLU 12 13.302 4.231 -3.793 80 H SER 13 HN SER 13 9.108 3.326 -4.557 81 HA SER 13 HA SER 13 6.698 4.701 -5.335 82 HB2 SER 13 2HB SER 13 6.399 3.403 -7.437 83 HB3 SER 13 3HB SER 13 7.757 4.524 -7.516 84 HG SER 13 HG SER 13 8.810 2.353 -6.621 85 H LEU 14 HN LEU 14 5.560 3.804 -3.701 86 HA LEU 14 HA LEU 14 5.699 0.931 -3.235 87 HB2 LEU 14 2HB LEU 14 5.222 3.188 -1.625 88 HB3 LEU 14 3HB LEU 14 3.719 2.269 -1.647 89 HG LEU 14 HG LEU 14 6.428 1.294 -0.746 90 HD11 LEU 14 1HD1 LEU 14 5.252 1.031 1.418 91 HD12 LEU 14 2HD1 LEU 14 3.852 1.840 0.718 92 HD13 LEU 14 3HD1 LEU 14 5.377 2.708 0.887 93 HD21 LEU 14 1HD2 LEU 14 5.262 -0.492 -1.900 94 HD22 LEU 14 2HD2 LEU 14 3.806 -0.185 -0.952 95 HD23 LEU 14 3HD2 LEU 14 5.263 -0.789 -0.161 96 H PHE 15 HN PHE 15 3.586 -0.221 -2.844 97 HA PHE 15 HA PHE 15 1.649 0.564 -4.921 98 HB2 PHE 15 2HB PHE 15 2.514 -2.165 -3.964 99 HB3 PHE 15 3HB PHE 15 1.077 -1.914 -4.949 100 HD1 PHE 15 1HD PHE 15 4.568 -0.595 -5.046 101 HD2 PHE 15 2HD PHE 15 1.415 -2.569 -7.116 102 HE1 PHE 15 1HE PHE 15 5.956 -0.674 -7.078 103 HE2 PHE 15 2HE PHE 15 2.797 -2.651 -9.150 104 HZ PHE 15 HZ PHE 15 5.071 -1.704 -9.132 105 HA PRO 16 HA PRO 16 -0.319 -0.610 -5.566 106 HB2 PRO 16 2HB PRO 16 -2.646 0.764 -5.833 107 HB3 PRO 16 3HB PRO 16 -2.577 -0.906 -5.259 108 HG2 PRO 16 2HG PRO 16 -2.828 1.629 -3.686 109 HG3 PRO 16 3HG PRO 16 -3.685 0.090 -3.474 110 HD2 PRO 16 2HD PRO 16 -1.577 0.808 -1.933 111 HD3 PRO 16 3HD PRO 16 -1.922 -0.883 -2.352 112 H CYS 17 HN CYS 17 -1.193 2.516 -4.074 113 HA CYS 17 HA CYS 17 0.773 3.901 -5.661 114 HB2 CYS 17 2HB CYS 17 -0.720 5.326 -6.877 115 HB3 CYS 17 3HB CYS 17 -1.202 3.663 -7.198 116 H ARG 18 HN ARG 18 -0.354 6.481 -5.410 117 HA ARG 18 HA ARG 18 -0.136 6.826 -2.503 118 HB2 ARG 18 2HB ARG 18 0.557 9.107 -2.969 119 HB3 ARG 18 3HB ARG 18 1.543 7.982 -3.891 120 HG2 ARG 18 2HG ARG 18 1.117 9.487 -5.525 121 HG3 ARG 18 3HG ARG 18 -0.308 8.467 -5.731 122 HD2 ARG 18 2HD ARG 18 -1.176 10.629 -5.703 123 HD3 ARG 18 3HD ARG 18 -1.436 10.052 -4.058 124 HE ARG 18 HE ARG 18 1.042 11.419 -4.283 125 HH11 ARG 18 1HH1 ARG 18 -2.395 11.934 -4.083 126 HH12 ARG 18 2HH1 ARG 18 -2.249 13.509 -3.376 127 HH21 ARG 18 1HH2 ARG 18 1.247 13.492 -3.353 128 HH22 ARG 18 2HH2 ARG 18 -0.178 14.395 -2.962 129 H VAL 19 HN VAL 19 -2.296 7.140 -5.145 130 HA VAL 19 HA VAL 19 -4.070 8.969 -3.730 131 HB VAL 19 HB VAL 19 -4.437 7.643 -6.420 132 HG11 VAL 19 1HG1 VAL 19 -5.981 9.830 -6.514 133 HG12 VAL 19 2HG1 VAL 19 -6.572 8.257 -5.977 134 HG13 VAL 19 3HG1 VAL 19 -6.092 9.473 -4.791 135 HG21 VAL 19 1HG2 VAL 19 -2.551 9.071 -6.585 136 HG22 VAL 19 2HG2 VAL 19 -3.911 9.959 -7.272 137 HG23 VAL 19 3HG2 VAL 19 -3.341 10.338 -5.646 138 H CYS 20 HN CYS 20 -3.462 5.742 -3.641 139 HA CYS 20 HA CYS 20 -6.269 4.992 -3.205 140 HB2 CYS 20 2HB CYS 20 -3.805 3.459 -3.934 141 HB3 CYS 20 3HB CYS 20 -5.104 2.628 -3.086 142 H THR 21 HN THR 21 -6.487 3.231 -1.436 143 HA THR 21 HA THR 21 -5.301 4.348 0.993 144 HB THR 21 HB THR 21 -7.014 2.945 2.175 145 HG1 THR 21 1HG THR 21 -8.271 2.612 -0.333 146 HG21 THR 21 1HG2 THR 21 -7.310 5.377 1.351 147 HG22 THR 21 2HG2 THR 21 -8.743 4.478 1.850 148 HG23 THR 21 3HG2 THR 21 -8.377 4.673 0.136 149 H ARG 22 HN ARG 22 -6.470 1.066 0.809 150 HA ARG 22 HA ARG 22 -4.614 -0.193 2.275 151 HB2 ARG 22 2HB ARG 22 -5.566 -1.425 -0.307 152 HB3 ARG 22 3HB ARG 22 -5.173 -2.239 1.201 153 HG2 ARG 22 2HG ARG 22 -7.129 -0.761 2.138 154 HG3 ARG 22 3HG ARG 22 -7.615 -0.723 0.441 155 HD2 ARG 22 2HD ARG 22 -7.029 -3.256 1.965 156 HD3 ARG 22 3HD ARG 22 -8.643 -2.563 1.800 157 HE ARG 22 HE ARG 22 -7.668 -2.797 -0.762 158 HH11 ARG 22 1HH1 ARG 22 -8.305 -4.943 1.905 159 HH12 ARG 22 2HH1 ARG 22 -8.653 -6.307 0.894 160 HH21 ARG 22 1HH2 ARG 22 -8.125 -4.585 -2.103 161 HH22 ARG 22 2HH2 ARG 22 -8.550 -6.101 -1.386 162 H VAL 23 HN VAL 23 -2.701 -1.443 1.848 163 HA VAL 23 HA VAL 23 -1.154 -0.496 -0.474 164 HB VAL 23 HB VAL 23 0.878 -0.544 0.941 165 HG11 VAL 23 1HG1 VAL 23 -0.222 1.410 2.534 166 HG12 VAL 23 2HG1 VAL 23 0.397 1.637 0.897 167 HG13 VAL 23 3HG1 VAL 23 -1.324 1.348 1.158 168 HG21 VAL 23 1HG2 VAL 23 -1.116 -1.048 3.142 169 HG22 VAL 23 2HG2 VAL 23 0.246 -2.065 2.667 170 HG23 VAL 23 3HG2 VAL 23 0.536 -0.498 3.424 171 H PHE 24 HN PHE 24 -0.332 -2.063 -1.694 172 HA PHE 24 HA PHE 24 0.428 -4.611 -0.521 173 HB2 PHE 24 2HB PHE 24 -0.982 -5.340 -2.850 174 HB3 PHE 24 3HB PHE 24 -1.399 -5.717 -1.181 175 HD1 PHE 24 1HD PHE 24 -3.305 -4.807 -0.190 176 HD2 PHE 24 2HD PHE 24 -1.851 -3.181 -3.845 177 HE1 PHE 24 1HE PHE 24 -5.344 -3.443 -0.391 178 HE2 PHE 24 2HE PHE 24 -3.887 -1.814 -4.051 179 HZ PHE 24 HZ PHE 24 -5.635 -1.944 -2.322 180 H HIS 25 HN HIS 25 2.418 -4.931 -1.239 181 HA HIS 25 HA HIS 25 3.726 -3.609 -3.250 182 HB2 HIS 25 2HB HIS 25 4.146 -6.319 -2.029 183 HB3 HIS 25 3HB HIS 25 5.182 -5.770 -3.344 184 HD2 HIS 25 2HD HIS 25 4.689 -2.642 -1.523 185 HE1 HIS 25 1HE HIS 25 7.809 -4.563 0.618 186 HE2 HIS 25 2HE HIS 25 6.529 -2.420 0.283 187 H ASP 26 HN ASP 26 4.738 -4.833 -5.229 188 HA ASP 26 HA ASP 26 2.496 -5.544 -6.929 189 HB2 ASP 26 2HB ASP 26 3.811 -4.947 -8.714 190 HB3 ASP 26 3HB ASP 26 4.584 -3.992 -7.452 191 H GLY 27 HN GLY 27 5.272 -7.054 -5.442 192 HA2 GLY 27 1HA GLY 27 4.913 -9.509 -6.975 193 HA3 GLY 27 2HA GLY 27 6.172 -9.195 -5.790 194 H CYS 28 HN CYS 28 4.090 -8.210 -3.862 195 HA CYS 28 HA CYS 28 3.632 -10.710 -2.569 196 HB2 CYS 28 2HB CYS 28 2.871 -7.866 -1.957 197 HB3 CYS 28 3HB CYS 28 2.262 -9.198 -0.981 198 H LEU 29 HN LEU 29 1.676 -8.508 -4.472 199 HA LEU 29 HA LEU 29 -0.834 -9.696 -3.868 200 HB2 LEU 29 2HB LEU 29 0.102 -7.961 -6.140 201 HB3 LEU 29 3HB LEU 29 -1.564 -8.506 -5.970 202 HG LEU 29 HG LEU 29 -0.114 -6.831 -3.924 203 HD11 LEU 29 1HD1 LEU 29 -0.274 -5.408 -5.759 204 HD12 LEU 29 2HD1 LEU 29 -1.728 -5.054 -4.829 205 HD13 LEU 29 3HD1 LEU 29 -1.826 -6.074 -6.263 206 HD21 LEU 29 1HD2 LEU 29 -2.653 -8.219 -3.984 207 HD22 LEU 29 2HD2 LEU 29 -2.859 -6.487 -3.720 208 HD23 LEU 29 3HD2 LEU 29 -1.831 -7.429 -2.639 209 H ARG 30 HN ARG 30 1.708 -10.417 -6.126 210 HA ARG 30 HA ARG 30 0.047 -12.243 -7.662 211 HB2 ARG 30 2HB ARG 30 1.607 -12.049 -9.267 212 HB3 ARG 30 3HB ARG 30 2.252 -10.732 -8.298 213 HG2 ARG 30 2HG ARG 30 3.798 -12.275 -7.213 214 HG3 ARG 30 3HG ARG 30 3.144 -13.604 -8.173 215 HD2 ARG 30 2HD ARG 30 3.774 -12.186 -10.212 216 HD3 ARG 30 3HD ARG 30 4.745 -11.235 -9.087 217 HE ARG 30 HE ARG 30 6.281 -12.924 -9.058 218 HH11 ARG 30 1HH1 ARG 30 3.270 -14.167 -10.284 219 HH12 ARG 30 2HH1 ARG 30 3.929 -15.713 -10.706 220 HH21 ARG 30 1HH2 ARG 30 7.161 -14.956 -9.609 221 HH22 ARG 30 2HH2 ARG 30 6.142 -16.160 -10.321 222 H ARG 31 HN ARG 31 2.197 -12.311 -4.978 223 HA ARG 31 HA ARG 31 2.826 -15.119 -5.192 224 HB2 ARG 31 2HB ARG 31 3.972 -12.984 -3.878 225 HB3 ARG 31 3HB ARG 31 3.205 -13.874 -2.570 226 HG2 ARG 31 2HG ARG 31 4.732 -15.492 -2.638 227 HG3 ARG 31 3HG ARG 31 4.663 -15.600 -4.398 228 HD2 ARG 31 2HD ARG 31 6.463 -14.287 -4.664 229 HD3 ARG 31 3HD ARG 31 5.946 -13.167 -3.404 230 HE ARG 31 HE ARG 31 6.769 -15.390 -2.050 231 HH11 ARG 31 1HH1 ARG 31 8.214 -13.247 -4.381 232 HH12 ARG 31 2HH1 ARG 31 9.823 -13.461 -3.776 233 HH21 ARG 31 1HH2 ARG 31 8.883 -15.680 -1.243 234 HH22 ARG 31 2HH2 ARG 31 10.203 -14.845 -1.991 235 H MET 32 HN MET 32 0.648 -13.091 -3.283 236 HA MET 32 HA MET 32 -0.410 -15.387 -1.861 237 HB2 MET 32 2HB MET 32 -1.403 -12.535 -1.811 238 HB3 MET 32 3HB MET 32 -1.757 -13.801 -0.643 239 HG2 MET 32 2HG MET 32 1.002 -12.720 -1.144 240 HG3 MET 32 3HG MET 32 -0.085 -12.105 0.098 241 HE1 MET 32 1HE MET 32 -0.750 -14.700 2.441 242 HE2 MET 32 2HE MET 32 0.520 -13.570 2.912 243 HE3 MET 32 3HE MET 32 -0.827 -13.017 1.917 244 H GLY 33 HN GLY 33 -0.710 -14.857 -4.869 245 HA2 GLY 33 1HA GLY 33 -2.321 -15.127 -6.486 246 HA3 GLY 33 2HA GLY 33 -3.134 -16.118 -5.284 247 H TYR 34 HN TYR 34 -2.520 -12.730 -4.743 248 HA TYR 34 HA TYR 34 -5.264 -12.201 -4.236 249 HB2 TYR 34 2HB TYR 34 -2.756 -10.589 -4.304 250 HB3 TYR 34 3HB TYR 34 -4.290 -9.730 -4.373 251 HD1 TYR 34 1HD TYR 34 -1.866 -10.357 -2.186 252 HD2 TYR 34 2HD TYR 34 -6.024 -11.164 -2.586 253 HE1 TYR 34 1HE TYR 34 -2.061 -10.524 0.260 254 HE2 TYR 34 2HE TYR 34 -6.232 -11.331 -0.141 255 HH TYR 34 HH TYR 34 -3.773 -10.325 1.987 256 H ILE 35 HN ILE 35 -3.268 -12.003 -7.051 257 HA ILE 35 HA ILE 35 -5.573 -11.311 -8.663 258 HB ILE 35 HB ILE 35 -4.956 -9.282 -9.437 259 HG12 ILE 35 2HG1 ILE 35 -2.939 -10.037 -10.545 260 HG13 ILE 35 3HG1 ILE 35 -2.595 -8.537 -9.693 261 HG21 ILE 35 1HG2 ILE 35 -3.896 -7.886 -7.725 262 HG22 ILE 35 2HG2 ILE 35 -5.081 -8.988 -7.026 263 HG23 ILE 35 3HG2 ILE 35 -3.359 -9.338 -6.881 264 HD11 ILE 35 1HD1 ILE 35 -0.825 -9.602 -8.878 265 HD12 ILE 35 2HD1 ILE 35 -1.964 -10.454 -7.836 266 HD13 ILE 35 3HD1 ILE 35 -1.447 -11.181 -9.358 267 H GLN 36 HN GLN 36 -4.897 -11.243 -11.059 268 HA GLN 36 HA GLN 36 -3.462 -13.670 -11.598 269 HB2 GLN 36 2HB GLN 36 -5.115 -11.760 -13.144 270 HB3 GLN 36 3HB GLN 36 -3.909 -12.657 -14.056 271 HG2 GLN 36 2HG GLN 36 -5.073 -14.553 -13.951 272 HG3 GLN 36 3HG GLN 36 -5.462 -14.329 -12.246 273 HE21 GLN 36 1HE2 GLN 36 -6.837 -14.761 -15.107 274 HE22 GLN 36 2HE2 GLN 36 -8.304 -13.871 -14.905 275 H GLY 37 HN GLY 37 -3.094 -10.612 -13.360 276 HA2 GLY 37 1HA GLY 37 -0.167 -10.930 -13.083 277 HA3 GLY 37 2HA GLY 37 -0.932 -10.416 -14.580 278 H ASP 38 HN ASP 38 0.820 -8.706 -14.069 279 HA ASP 38 HA ASP 38 -0.585 -6.402 -12.984 280 HB2 ASP 38 2HB ASP 38 1.175 -5.734 -11.494 281 HB3 ASP 38 3HB ASP 38 0.735 -7.392 -11.093 282 H SER 39 HN SER 39 1.462 -4.568 -13.042 283 HA SER 39 HA SER 39 2.513 -4.725 -15.783 284 HB2 SER 39 2HB SER 39 0.380 -3.255 -15.415 285 HB3 SER 39 3HB SER 39 1.514 -2.115 -14.691 286 HG SER 39 HG SER 39 1.613 -1.545 -16.753 287 H ALA 40 HN ALA 40 4.293 -3.204 -16.196 288 HA ALA 40 HA ALA 40 6.243 -3.332 -14.145 289 HB1 ALA 40 1HB ALA 40 6.654 -1.452 -16.393 290 HB2 ALA 40 2HB ALA 40 7.729 -2.682 -15.729 291 HB3 ALA 40 3HB ALA 40 6.410 -3.150 -16.801 292 H ALA 41 HN ALA 41 7.534 -0.812 -14.483 293 HA ALA 41 HA ALA 41 5.650 1.115 -13.338 294 HB1 ALA 41 1HB ALA 41 8.197 0.200 -12.018 295 HB2 ALA 41 2HB ALA 41 7.331 1.669 -11.563 296 HB3 ALA 41 3HB ALA 41 6.553 0.096 -11.386 297 H GLU 42 HN GLU 42 9.058 1.575 -13.011 298 HA GLU 42 HA GLU 42 10.317 3.358 -13.758 299 HB2 GLU 42 2HB GLU 42 9.891 1.370 -15.774 300 HB3 GLU 42 3HB GLU 42 10.037 2.943 -16.548 301 HG2 GLU 42 2HG GLU 42 12.204 3.231 -15.878 302 HG3 GLU 42 3HG GLU 42 12.025 2.183 -14.473 303 H VAL 43 HN VAL 43 9.058 5.146 -13.171 304 HA VAL 43 HA VAL 43 8.150 6.734 -15.384 305 HB VAL 43 HB VAL 43 6.174 5.530 -13.489 306 HG11 VAL 43 1HG1 VAL 43 5.964 8.255 -14.754 307 HG12 VAL 43 2HG1 VAL 43 4.578 7.351 -14.143 308 HG13 VAL 43 3HG1 VAL 43 5.861 7.849 -13.041 309 HG21 VAL 43 1HG2 VAL 43 6.586 5.754 -16.387 310 HG22 VAL 43 2HG2 VAL 43 5.793 4.490 -15.447 311 HG23 VAL 43 3HG2 VAL 43 4.918 5.965 -15.855 312 H THR 44 HN THR 44 8.171 6.341 -11.860 313 HA THR 44 HA THR 44 9.579 8.772 -11.454 314 HB THR 44 HB THR 44 6.973 9.317 -11.867 315 HG1 THR 44 1HG THR 44 8.469 10.941 -11.574 316 HG21 THR 44 1HG2 THR 44 6.328 7.910 -9.902 317 HG22 THR 44 2HG2 THR 44 5.798 9.588 -9.790 318 HG23 THR 44 3HG2 THR 44 7.200 9.043 -8.870 319 H GLU 45 HN GLU 45 10.375 8.954 -9.372 320 HA GLU 45 HA GLU 45 9.745 6.690 -7.596 321 HB2 GLU 45 2HB GLU 45 12.278 8.135 -8.226 322 HB3 GLU 45 3HB GLU 45 12.080 7.472 -6.610 323 HG2 GLU 45 2HG GLU 45 11.672 5.258 -7.580 324 HG3 GLU 45 3HG GLU 45 11.914 5.931 -9.191 325 H MET 46 HN MET 46 9.020 9.826 -7.954 326 HA MET 46 HA MET 46 9.588 11.109 -5.565 327 HB2 MET 46 2HB MET 46 7.101 11.323 -7.272 328 HB3 MET 46 3HB MET 46 7.549 12.461 -6.009 329 HG2 MET 46 2HG MET 46 9.195 11.874 -8.458 330 HG3 MET 46 3HG MET 46 8.107 13.247 -8.272 331 HE1 MET 46 1HE MET 46 10.838 15.452 -8.110 332 HE2 MET 46 2HE MET 46 11.688 14.005 -8.654 333 HE3 MET 46 3HE MET 46 10.041 14.321 -9.204 334 H ALA 47 HN ALA 47 6.335 9.845 -6.252 335 HA ALA 47 HA ALA 47 4.900 8.593 -4.977 336 HB1 ALA 47 1HB ALA 47 7.321 7.678 -4.125 337 HB2 ALA 47 2HB ALA 47 6.616 8.284 -2.625 338 HB3 ALA 47 3HB ALA 47 5.758 7.070 -3.575 339 H HIS 48 HN HIS 48 6.330 11.480 -4.136 340 HA HIS 48 HA HIS 48 4.430 11.932 -1.930 341 HB2 HIS 48 2HB HIS 48 7.049 12.245 -1.704 342 HB3 HIS 48 3HB HIS 48 6.701 13.801 -2.450 343 HD1 HIS 48 1HD HIS 48 7.637 13.168 0.587 344 HD2 HIS 48 2HD HIS 48 3.863 14.308 -0.720 345 HE1 HIS 48 1HE HIS 48 6.520 14.207 2.586 346 H THR 49 HN THR 49 5.917 13.513 -4.748 347 HA THR 49 HA THR 49 4.452 15.834 -4.845 348 HB THR 49 HB THR 49 4.781 15.817 -7.300 349 HG1 THR 49 1HG THR 49 6.276 13.542 -7.384 350 HG21 THR 49 1HG2 THR 49 6.984 15.210 -5.392 351 HG22 THR 49 2HG2 THR 49 6.669 16.674 -6.324 352 HG23 THR 49 3HG2 THR 49 7.363 15.259 -7.113 353 H GLU 50 HN GLU 50 2.778 16.328 -6.646 354 HA GLU 50 HA GLU 50 0.496 14.600 -6.136 355 HB2 GLU 50 2HB GLU 50 0.839 17.359 -7.263 356 HB3 GLU 50 3HB GLU 50 -0.669 16.487 -7.500 357 HG2 GLU 50 2HG GLU 50 -1.231 17.528 -5.590 358 HG3 GLU 50 3HG GLU 50 -0.392 16.160 -4.862 359 H THR 51 HN THR 51 2.198 13.210 -7.657 360 HA THR 51 HA THR 51 1.490 13.541 -10.462 361 HB THR 51 HB THR 51 2.990 11.474 -10.721 362 HG1 THR 51 1HG THR 51 4.314 12.044 -8.403 363 HG21 THR 51 1HG2 THR 51 5.007 12.801 -10.650 364 HG22 THR 51 2HG2 THR 51 4.248 13.961 -9.558 365 HG23 THR 51 3HG2 THR 51 3.677 13.809 -11.220 366 H GLY 52 HN GLY 52 1.136 11.127 -7.879 367 HA2 GLY 52 1HA GLY 52 -0.569 9.600 -7.549 368 HA3 GLY 52 2HA GLY 52 -1.365 10.236 -8.980 369 H TRP 53 HN TRP 53 0.432 7.680 -7.680 370 HA TRP 53 HA TRP 53 1.435 6.661 -10.182 371 HB2 TRP 53 2HB TRP 53 2.560 6.256 -7.984 372 HB3 TRP 53 3HB TRP 53 1.200 5.233 -7.527 373 HD1 TRP 53 1HD TRP 53 1.179 2.778 -8.423 374 HE1 TRP 53 1HE TRP 53 2.833 1.367 -9.800 375 HE3 TRP 53 3HE TRP 53 4.337 6.495 -9.953 376 HZ2 TRP 53 2HZ TRP 53 5.168 1.775 -11.332 377 HZ3 TRP 53 3HZ TRP 53 6.257 5.901 -11.373 378 HH2 TRP 53 2HH TRP 53 6.663 3.589 -12.047 379 H SER 54 HN SER 54 0.693 4.857 -11.308 380 HA SER 54 HA SER 54 -2.159 4.449 -11.167 381 HB2 SER 54 2HB SER 54 -1.476 2.751 -13.090 382 HB3 SER 54 3HB SER 54 -1.515 4.489 -13.380 383 HG SER 54 HG SER 54 0.450 3.228 -14.017 384 H CYS 55 HN CYS 55 -3.226 2.500 -10.788 385 HA CYS 55 HA CYS 55 -1.725 0.173 -9.940 386 HB2 CYS 55 2HB CYS 55 -2.448 0.086 -7.709 387 HB3 CYS 55 3HB CYS 55 -1.978 1.768 -7.934 388 H HIS 56 HN HIS 56 -3.777 -1.178 -8.641 389 HA HIS 56 HA HIS 56 -5.376 -1.979 -10.873 390 HB2 HIS 56 2HB HIS 56 -4.655 -3.051 -8.319 391 HB3 HIS 56 3HB HIS 56 -6.409 -3.102 -8.478 392 HD1 HIS 56 1HD HIS 56 -6.741 -3.832 -11.399 393 HD2 HIS 56 2HD HIS 56 -3.896 -5.578 -8.928 394 HE1 HIS 56 1HE HIS 56 -6.194 -6.044 -12.463 395 H TYR 57 HN TYR 57 -6.076 -0.417 -7.758 396 HA TYR 57 HA TYR 57 -8.787 0.180 -8.708 397 HB2 TYR 57 2HB TYR 57 -7.777 0.708 -5.924 398 HB3 TYR 57 3HB TYR 57 -9.434 0.460 -6.464 399 HD1 TYR 57 1HD TYR 57 -7.202 -0.965 -4.443 400 HD2 TYR 57 2HD TYR 57 -9.386 -1.992 -7.947 401 HE1 TYR 57 1HE TYR 57 -7.035 -3.345 -3.842 402 HE2 TYR 57 2HE TYR 57 -9.225 -4.374 -7.357 403 HH TYR 57 HH TYR 57 -8.414 -5.475 -4.362 404 H CYS 58 HN CYS 58 -7.240 1.685 -10.125 405 HA CYS 58 HA CYS 58 -6.920 4.261 -8.749 406 HB2 CYS 58 2HB CYS 58 -5.462 2.895 -10.884 407 HB3 CYS 58 3HB CYS 58 -5.840 4.570 -11.273 408 H ASP 59 HN ASP 59 -7.694 3.301 -12.092 409 HA ASP 59 HA ASP 59 -10.084 4.999 -11.973 410 HB2 ASP 59 2HB ASP 59 -7.837 5.182 -13.969 411 HB3 ASP 59 3HB ASP 59 -9.463 5.736 -14.361 412 H ASN 60 HN ASN 60 -8.682 3.594 -14.863 413 HA ASN 60 HA ASN 60 -10.145 1.168 -14.822 414 HB2 ASN 60 2HB ASN 60 -11.780 3.294 -15.352 415 HB3 ASN 60 3HB ASN 60 -11.297 2.813 -16.975 416 HD21 ASN 60 1HD2 ASN 60 -13.845 2.573 -16.543 417 HD22 ASN 60 2HD2 ASN 60 -14.323 0.937 -16.262 Start of MODEL 6 1 H1 GLU 1 HN GLU 1 1.397 4.174 6.389 2 HA GLU 1 HA GLU 1 0.913 2.728 4.700 3 HB2 GLU 1 2HB GLU 1 2.911 4.532 3.347 4 HB3 GLU 1 3HB GLU 1 2.109 3.222 2.491 5 HG2 GLU 1 2HG GLU 1 0.284 4.436 2.195 6 HG3 GLU 1 3HG GLU 1 0.189 4.823 3.911 7 H MET 2 HN MET 2 1.513 0.728 5.310 8 HA MET 2 HA MET 2 4.176 -0.179 4.472 9 HB2 MET 2 2HB MET 2 3.255 -1.547 6.866 10 HB3 MET 2 3HB MET 2 4.817 -0.815 6.523 11 HG2 MET 2 2HG MET 2 2.387 0.736 7.378 12 HG3 MET 2 3HG MET 2 3.620 0.137 8.486 13 HE1 MET 2 1HE MET 2 6.425 2.356 8.389 14 HE2 MET 2 2HE MET 2 5.785 0.741 8.698 15 HE3 MET 2 3HE MET 2 6.635 1.081 7.190 16 H CYS 3 HN CYS 3 4.030 -1.873 3.166 17 HA CYS 3 HA CYS 3 1.813 -3.054 2.195 18 HB2 CYS 3 2HB CYS 3 4.113 -3.478 1.372 19 HB3 CYS 3 3HB CYS 3 4.393 -4.531 2.756 20 H ASP 4 HN ASP 4 0.180 -4.169 3.010 21 HA ASP 4 HA ASP 4 0.122 -5.067 5.693 22 HB2 ASP 4 2HB ASP 4 -1.787 -4.478 3.865 23 HB3 ASP 4 3HB ASP 4 -1.831 -6.239 3.805 24 H VAL 5 HN VAL 5 1.655 -6.379 3.082 25 HA VAL 5 HA VAL 5 1.376 -9.130 4.100 26 HB VAL 5 HB VAL 5 2.255 -8.199 1.363 27 HG11 VAL 5 1HG1 VAL 5 3.475 -10.136 1.646 28 HG12 VAL 5 2HG1 VAL 5 2.256 -10.879 2.682 29 HG13 VAL 5 3HG1 VAL 5 1.981 -10.756 0.944 30 HG21 VAL 5 1HG2 VAL 5 0.054 -9.935 1.216 31 HG22 VAL 5 2HG2 VAL 5 -0.322 -8.774 2.490 32 HG23 VAL 5 3HG2 VAL 5 0.087 -8.206 0.872 33 H CYS 6 HN CYS 6 3.377 -6.510 4.194 34 HA CYS 6 HA CYS 6 5.659 -8.180 4.929 35 HB2 CYS 6 2HB CYS 6 5.880 -5.843 3.019 36 HB3 CYS 6 3HB CYS 6 7.227 -6.775 3.664 37 H GLU 7 HN GLU 7 4.518 -4.816 4.645 38 HA GLU 7 HA GLU 7 4.345 -3.186 6.251 39 HB2 GLU 7 2HB GLU 7 5.773 -4.870 8.273 40 HB3 GLU 7 3HB GLU 7 4.507 -3.676 8.516 41 HG2 GLU 7 2HG GLU 7 3.239 -5.566 7.002 42 HG3 GLU 7 3HG GLU 7 4.315 -6.539 8.003 43 H VAL 8 HN VAL 8 6.036 -2.451 4.645 44 HA VAL 8 HA VAL 8 8.300 -1.449 6.118 45 HB VAL 8 HB VAL 8 9.574 -2.372 3.809 46 HG11 VAL 8 1HG1 VAL 8 10.740 -2.128 5.847 47 HG12 VAL 8 2HG1 VAL 8 9.655 -3.238 6.688 48 HG13 VAL 8 3HG1 VAL 8 10.779 -3.851 5.475 49 HG21 VAL 8 1HG2 VAL 8 9.251 -4.779 3.845 50 HG22 VAL 8 2HG2 VAL 8 8.022 -4.615 5.099 51 HG23 VAL 8 3HG2 VAL 8 7.729 -3.963 3.487 52 H TRP 9 HN TRP 9 8.746 0.554 5.457 53 HA TRP 9 HA TRP 9 8.135 1.322 2.695 54 HB2 TRP 9 2HB TRP 9 6.203 2.172 3.648 55 HB3 TRP 9 3HB TRP 9 6.987 2.510 5.189 56 HD1 TRP 9 1HD TRP 9 7.889 4.917 5.564 57 HE1 TRP 9 1HE TRP 9 7.947 7.061 4.142 58 HE3 TRP 9 3HE TRP 9 6.446 2.949 1.072 59 HZ2 TRP 9 2HZ TRP 9 7.444 7.818 1.469 60 HZ3 TRP 9 3HZ TRP 9 6.258 4.452 -0.867 61 HH2 TRP 9 2HH TRP 9 6.747 6.835 -0.671 62 H THR 10 HN THR 10 9.129 3.406 2.086 63 HA THR 10 HA THR 10 11.280 4.379 3.768 64 HB THR 10 HB THR 10 11.985 3.315 1.033 65 HG1 THR 10 1HG THR 10 13.007 1.601 2.237 66 HG21 THR 10 1HG2 THR 10 13.281 5.155 2.542 67 HG22 THR 10 2HG2 THR 10 14.085 4.056 1.421 68 HG23 THR 10 3HG2 THR 10 14.014 3.668 3.140 69 H ALA 11 HN ALA 11 10.484 4.414 0.288 70 HA ALA 11 HA ALA 11 9.228 6.792 0.020 71 HB1 ALA 11 1HB ALA 11 12.045 7.215 0.727 72 HB2 ALA 11 2HB ALA 11 11.483 8.136 -0.669 73 HB3 ALA 11 3HB ALA 11 10.658 8.294 0.882 74 H GLU 12 HN GLU 12 11.693 4.661 -1.180 75 HA GLU 12 HA GLU 12 12.234 5.334 -3.705 76 HB2 GLU 12 2HB GLU 12 11.586 2.727 -2.447 77 HB3 GLU 12 3HB GLU 12 11.607 2.767 -4.205 78 HG2 GLU 12 2HG GLU 12 13.902 3.840 -3.997 79 HG3 GLU 12 3HG GLU 12 13.848 3.355 -2.303 80 H SER 13 HN SER 13 9.589 3.016 -3.511 81 HA SER 13 HA SER 13 7.618 4.719 -4.654 82 HB2 SER 13 2HB SER 13 7.493 3.774 -6.881 83 HB3 SER 13 3HB SER 13 9.124 4.394 -6.622 84 HG SER 13 HG SER 13 8.319 1.874 -7.168 85 H LEU 14 HN LEU 14 6.460 3.794 -2.917 86 HA LEU 14 HA LEU 14 5.904 0.933 -3.031 87 HB2 LEU 14 2HB LEU 14 6.401 2.242 -0.892 88 HB3 LEU 14 3HB LEU 14 4.771 2.892 -1.058 89 HG LEU 14 HG LEU 14 4.029 0.420 -1.085 90 HD11 LEU 14 1HD1 LEU 14 6.561 -0.010 0.450 91 HD12 LEU 14 2HD1 LEU 14 6.504 -0.287 -1.291 92 HD13 LEU 14 3HD1 LEU 14 5.442 -1.199 -0.219 93 HD21 LEU 14 1HD2 LEU 14 4.915 0.763 1.615 94 HD22 LEU 14 2HD2 LEU 14 3.296 0.953 0.940 95 HD23 LEU 14 3HD2 LEU 14 4.412 2.320 0.953 96 H PHE 15 HN PHE 15 3.811 0.080 -3.226 97 HA PHE 15 HA PHE 15 1.950 1.847 -4.649 98 HB2 PHE 15 2HB PHE 15 1.532 -1.100 -4.569 99 HB3 PHE 15 3HB PHE 15 1.250 0.040 -5.881 100 HD1 PHE 15 1HD PHE 15 3.575 1.231 -6.653 101 HD2 PHE 15 2HD PHE 15 3.163 -2.650 -4.954 102 HE1 PHE 15 1HE PHE 15 5.696 0.551 -7.700 103 HE2 PHE 15 2HE PHE 15 5.283 -3.335 -5.998 104 HZ PHE 15 HZ PHE 15 6.553 -1.734 -7.373 105 HA PRO 16 HA PRO 16 -0.230 1.311 -5.440 106 HB2 PRO 16 2HB PRO 16 -2.238 3.104 -5.087 107 HB3 PRO 16 3HB PRO 16 -2.492 1.356 -5.040 108 HG2 PRO 16 2HG PRO 16 -2.186 3.286 -2.773 109 HG3 PRO 16 3HG PRO 16 -3.329 1.943 -2.952 110 HD2 PRO 16 2HD PRO 16 -1.081 1.753 -1.456 111 HD3 PRO 16 3HD PRO 16 -1.769 0.366 -2.325 112 H CYS 17 HN CYS 17 -0.634 3.578 -6.566 113 HA CYS 17 HA CYS 17 1.629 5.049 -6.550 114 HB2 CYS 17 2HB CYS 17 0.282 6.956 -7.447 115 HB3 CYS 17 3HB CYS 17 -0.052 5.417 -8.233 116 H ARG 18 HN ARG 18 -1.250 5.785 -4.593 117 HA ARG 18 HA ARG 18 -0.113 6.461 -2.248 118 HB2 ARG 18 2HB ARG 18 1.242 8.202 -2.672 119 HB3 ARG 18 3HB ARG 18 0.541 8.463 -4.264 120 HG2 ARG 18 2HG ARG 18 0.301 10.407 -2.782 121 HG3 ARG 18 3HG ARG 18 -1.253 9.759 -3.309 122 HD2 ARG 18 2HD ARG 18 -0.710 8.378 -0.973 123 HD3 ARG 18 3HD ARG 18 -0.151 10.016 -0.635 124 HE ARG 18 HE ARG 18 -2.658 10.245 -1.795 125 HH11 ARG 18 1HH1 ARG 18 -1.259 8.862 1.078 126 HH12 ARG 18 2HH1 ARG 18 -2.688 9.076 2.034 127 HH21 ARG 18 1HH2 ARG 18 -4.544 10.532 -0.547 128 HH22 ARG 18 2HH2 ARG 18 -4.557 10.026 1.108 129 H VAL 19 HN VAL 19 -2.199 8.222 -4.546 130 HA VAL 19 HA VAL 19 -4.065 9.171 -2.724 131 HB VAL 19 HB VAL 19 -5.505 9.603 -4.529 132 HG11 VAL 19 1HG1 VAL 19 -3.035 10.494 -4.616 133 HG12 VAL 19 2HG1 VAL 19 -2.963 9.510 -6.079 134 HG13 VAL 19 3HG1 VAL 19 -4.155 10.803 -5.942 135 HG21 VAL 19 1HG2 VAL 19 -5.779 7.367 -5.380 136 HG22 VAL 19 2HG2 VAL 19 -5.324 8.434 -6.709 137 HG23 VAL 19 3HG2 VAL 19 -4.126 7.357 -5.994 138 H CYS 20 HN CYS 20 -4.089 6.123 -4.549 139 HA CYS 20 HA CYS 20 -6.541 5.130 -3.743 140 HB2 CYS 20 2HB CYS 20 -3.980 3.594 -4.235 141 HB3 CYS 20 3HB CYS 20 -5.590 2.883 -4.172 142 H THR 21 HN THR 21 -6.975 3.345 -2.206 143 HA THR 21 HA THR 21 -5.814 3.997 0.387 144 HB THR 21 HB THR 21 -7.684 3.041 1.389 145 HG1 THR 21 1HG THR 21 -8.967 1.474 0.381 146 HG21 THR 21 1HG2 THR 21 -8.259 5.022 -0.010 147 HG22 THR 21 2HG2 THR 21 -9.616 3.928 0.258 148 HG23 THR 21 3HG2 THR 21 -8.768 3.919 -1.288 149 H ARG 22 HN ARG 22 -5.389 2.182 1.921 150 HA ARG 22 HA ARG 22 -4.125 0.386 2.513 151 HB2 ARG 22 2HB ARG 22 -5.259 -0.897 0.023 152 HB3 ARG 22 3HB ARG 22 -4.620 -1.718 1.440 153 HG2 ARG 22 2HG ARG 22 -6.537 -0.278 2.617 154 HG3 ARG 22 3HG ARG 22 -7.245 -0.441 1.009 155 HD2 ARG 22 2HD ARG 22 -6.103 -2.899 2.167 156 HD3 ARG 22 3HD ARG 22 -7.532 -2.262 2.980 157 HE ARG 22 HE ARG 22 -7.514 -3.672 0.565 158 HH11 ARG 22 1HH1 ARG 22 -8.912 -0.797 1.945 159 HH12 ARG 22 2HH1 ARG 22 -10.326 -0.847 0.945 160 HH21 ARG 22 1HH2 ARG 22 -9.371 -3.749 -0.757 161 HH22 ARG 22 2HH2 ARG 22 -10.586 -2.527 -0.590 162 H VAL 23 HN VAL 23 -2.263 -0.969 1.912 163 HA VAL 23 HA VAL 23 -0.863 -0.044 -0.500 164 HB VAL 23 HB VAL 23 1.243 0.139 0.760 165 HG11 VAL 23 1HG1 VAL 23 -0.287 1.997 2.362 166 HG12 VAL 23 2HG1 VAL 23 0.832 2.310 1.033 167 HG13 VAL 23 3HG1 VAL 23 -0.862 1.952 0.696 168 HG21 VAL 23 1HG2 VAL 23 -0.538 -0.557 3.067 169 HG22 VAL 23 2HG2 VAL 23 1.021 -1.251 2.616 170 HG23 VAL 23 3HG2 VAL 23 0.943 0.368 3.311 171 H PHE 24 HN PHE 24 -0.003 -1.654 -1.641 172 HA PHE 24 HA PHE 24 0.871 -4.094 -0.313 173 HB2 PHE 24 2HB PHE 24 -0.509 -5.014 -2.588 174 HB3 PHE 24 3HB PHE 24 -0.929 -5.284 -0.900 175 HD1 PHE 24 1HD PHE 24 -2.919 -4.457 -0.047 176 HD2 PHE 24 2HD PHE 24 -1.374 -2.855 -3.676 177 HE1 PHE 24 1HE PHE 24 -4.992 -3.168 -0.356 178 HE2 PHE 24 2HE PHE 24 -3.444 -1.563 -3.990 179 HZ PHE 24 HZ PHE 24 -5.255 -1.717 -2.328 180 H HIS 25 HN HIS 25 2.596 -5.021 -1.283 181 HA HIS 25 HA HIS 25 4.039 -3.588 -3.229 182 HB2 HIS 25 2HB HIS 25 4.348 -6.421 -2.224 183 HB3 HIS 25 3HB HIS 25 5.503 -5.630 -3.292 184 HD2 HIS 25 2HD HIS 25 4.530 -2.969 -0.903 185 HE1 HIS 25 1HE HIS 25 7.717 -5.014 1.008 186 HE2 HIS 25 2HE HIS 25 6.223 -2.988 1.052 187 H ASP 26 HN ASP 26 4.990 -5.031 -5.167 188 HA ASP 26 HA ASP 26 2.660 -5.613 -6.832 189 HB2 ASP 26 2HB ASP 26 4.201 -4.050 -7.804 190 HB3 ASP 26 3HB ASP 26 5.565 -5.123 -7.501 191 H GLY 27 HN GLY 27 5.413 -7.163 -5.373 192 HA2 GLY 27 1HA GLY 27 5.023 -9.606 -6.921 193 HA3 GLY 27 2HA GLY 27 6.293 -9.312 -5.744 194 H CYS 28 HN CYS 28 3.949 -8.259 -3.981 195 HA CYS 28 HA CYS 28 3.594 -10.743 -2.578 196 HB2 CYS 28 2HB CYS 28 2.809 -7.892 -2.088 197 HB3 CYS 28 3HB CYS 28 2.065 -9.175 -1.138 198 H LEU 29 HN LEU 29 1.281 -8.355 -3.881 199 HA LEU 29 HA LEU 29 -1.039 -9.793 -3.563 200 HB2 LEU 29 2HB LEU 29 -0.359 -8.026 -5.908 201 HB3 LEU 29 3HB LEU 29 -1.979 -8.466 -5.370 202 HG LEU 29 HG LEU 29 -0.031 -6.837 -3.742 203 HD11 LEU 29 1HD1 LEU 29 -0.667 -4.997 -4.809 204 HD12 LEU 29 2HD1 LEU 29 -2.370 -5.440 -4.692 205 HD13 LEU 29 3HD1 LEU 29 -1.393 -6.039 -6.032 206 HD21 LEU 29 1HD2 LEU 29 -2.756 -7.905 -3.309 207 HD22 LEU 29 2HD2 LEU 29 -2.452 -6.254 -2.768 208 HD23 LEU 29 3HD2 LEU 29 -1.465 -7.581 -2.153 209 H ARG 30 HN ARG 30 1.340 -10.028 -6.156 210 HA ARG 30 HA ARG 30 -0.184 -11.848 -7.742 211 HB2 ARG 30 2HB ARG 30 2.405 -10.539 -7.882 212 HB3 ARG 30 3HB ARG 30 2.497 -12.215 -8.406 213 HG2 ARG 30 2HG ARG 30 0.996 -11.877 -10.157 214 HG3 ARG 30 3HG ARG 30 0.392 -10.370 -9.467 215 HD2 ARG 30 2HD ARG 30 1.923 -9.191 -10.566 216 HD3 ARG 30 3HD ARG 30 3.221 -10.188 -9.913 217 HE ARG 30 HE ARG 30 1.998 -10.407 -12.515 218 HH11 ARG 30 1HH1 ARG 30 3.875 -12.006 -10.058 219 HH12 ARG 30 2HH1 ARG 30 4.585 -13.143 -11.155 220 HH21 ARG 30 1HH2 ARG 30 2.925 -11.899 -13.971 221 HH22 ARG 30 2HH2 ARG 30 4.045 -13.080 -13.381 222 H ARG 31 HN ARG 31 2.593 -12.239 -5.551 223 HA ARG 31 HA ARG 31 2.704 -15.063 -5.798 224 HB2 ARG 31 2HB ARG 31 4.495 -13.387 -4.929 225 HB3 ARG 31 3HB ARG 31 3.690 -13.586 -3.380 226 HG2 ARG 31 2HG ARG 31 4.671 -15.931 -4.973 227 HG3 ARG 31 3HG ARG 31 5.709 -15.055 -3.847 228 HD2 ARG 31 2HD ARG 31 3.486 -15.476 -2.331 229 HD3 ARG 31 3HD ARG 31 3.512 -16.929 -3.329 230 HE ARG 31 HE ARG 31 5.364 -17.641 -2.185 231 HH11 ARG 31 1HH1 ARG 31 4.860 -14.255 -1.554 232 HH12 ARG 31 2HH1 ARG 31 6.071 -14.171 -0.319 233 HH21 ARG 31 1HH2 ARG 31 6.961 -17.544 -0.560 234 HH22 ARG 31 2HH2 ARG 31 7.267 -16.042 0.245 235 H MET 32 HN MET 32 0.520 -13.039 -4.236 236 HA MET 32 HA MET 32 -0.235 -15.111 -2.294 237 HB2 MET 32 2HB MET 32 -1.019 -12.196 -2.454 238 HB3 MET 32 3HB MET 32 -1.607 -13.327 -1.242 239 HG2 MET 32 2HG MET 32 1.315 -12.782 -1.623 240 HG3 MET 32 3HG MET 32 0.299 -11.784 -0.586 241 HE1 MET 32 1HE MET 32 0.110 -12.755 2.319 242 HE2 MET 32 2HE MET 32 -1.146 -12.576 1.093 243 HE3 MET 32 3HE MET 32 -1.031 -14.068 2.026 244 H GLY 33 HN GLY 33 -0.837 -14.727 -5.328 245 HA2 GLY 33 1HA GLY 33 -2.628 -15.008 -6.753 246 HA3 GLY 33 2HA GLY 33 -3.181 -16.119 -5.509 247 H TYR 34 HN TYR 34 -2.827 -12.756 -4.756 248 HA TYR 34 HA TYR 34 -5.567 -12.539 -4.011 249 HB2 TYR 34 2HB TYR 34 -3.175 -10.793 -3.940 250 HB3 TYR 34 3HB TYR 34 -4.732 -9.972 -3.971 251 HD1 TYR 34 1HD TYR 34 -2.365 -10.579 -1.776 252 HD2 TYR 34 2HD TYR 34 -6.421 -11.722 -2.358 253 HE1 TYR 34 1HE TYR 34 -2.602 -10.949 0.645 254 HE2 TYR 34 2HE TYR 34 -6.670 -12.094 0.060 255 HH TYR 34 HH TYR 34 -4.415 -12.606 2.083 256 H ILE 35 HN ILE 35 -3.638 -11.291 -6.702 257 HA ILE 35 HA ILE 35 -6.079 -10.221 -7.934 258 HB ILE 35 HB ILE 35 -4.575 -9.054 -9.498 259 HG12 ILE 35 2HG1 ILE 35 -2.225 -9.756 -7.789 260 HG13 ILE 35 3HG1 ILE 35 -2.737 -10.899 -9.026 261 HG21 ILE 35 1HG2 ILE 35 -3.465 -7.574 -7.723 262 HG22 ILE 35 2HG2 ILE 35 -5.219 -7.743 -7.676 263 HG23 ILE 35 3HG2 ILE 35 -4.215 -8.653 -6.547 264 HD11 ILE 35 1HD1 ILE 35 -2.526 -8.159 -9.992 265 HD12 ILE 35 2HD1 ILE 35 -1.005 -8.827 -9.396 266 HD13 ILE 35 3HD1 ILE 35 -1.895 -9.658 -10.671 267 H GLN 36 HN GLN 36 -5.888 -10.342 -10.474 268 HA GLN 36 HA GLN 36 -5.975 -13.141 -11.116 269 HB2 GLN 36 2HB GLN 36 -7.331 -10.976 -12.035 270 HB3 GLN 36 3HB GLN 36 -6.142 -11.180 -13.315 271 HG2 GLN 36 2HG GLN 36 -7.657 -12.580 -14.175 272 HG3 GLN 36 3HG GLN 36 -6.991 -13.726 -13.014 273 HE21 GLN 36 1HE2 GLN 36 -8.038 -13.609 -10.806 274 HE22 GLN 36 2HE2 GLN 36 -9.760 -13.466 -10.777 275 H GLY 37 HN GLY 37 -5.148 -12.864 -13.882 276 HA2 GLY 37 1HA GLY 37 -2.224 -12.657 -13.498 277 HA3 GLY 37 2HA GLY 37 -2.967 -13.938 -14.444 278 H ASP 38 HN ASP 38 -2.513 -10.433 -14.287 279 HA ASP 38 HA ASP 38 -1.826 -10.212 -17.006 280 HB2 ASP 38 2HB ASP 38 -3.792 -9.008 -17.863 281 HB3 ASP 38 3HB ASP 38 -4.201 -10.659 -17.399 282 H SER 39 HN SER 39 -0.223 -9.137 -15.605 283 HA SER 39 HA SER 39 -0.727 -6.287 -15.545 284 HB2 SER 39 2HB SER 39 -0.024 -7.799 -13.017 285 HB3 SER 39 3HB SER 39 0.013 -6.043 -13.181 286 HG SER 39 HG SER 39 -1.963 -6.513 -12.354 287 H ALA 40 HN ALA 40 1.233 -5.035 -15.196 288 HA ALA 40 HA ALA 40 3.784 -6.262 -14.998 289 HB1 ALA 40 1HB ALA 40 4.601 -6.086 -17.210 290 HB2 ALA 40 2HB ALA 40 3.058 -6.935 -17.321 291 HB3 ALA 40 3HB ALA 40 3.159 -5.228 -17.753 292 H ALA 41 HN ALA 41 5.359 -4.774 -14.586 293 HA ALA 41 HA ALA 41 5.060 -2.004 -15.316 294 HB1 ALA 41 1HB ALA 41 4.693 -2.886 -12.467 295 HB2 ALA 41 2HB ALA 41 5.209 -1.253 -12.892 296 HB3 ALA 41 3HB ALA 41 3.645 -1.856 -13.444 297 H GLU 42 HN GLU 42 6.672 -2.769 -12.356 298 HA GLU 42 HA GLU 42 8.866 -2.710 -11.753 299 HB2 GLU 42 2HB GLU 42 9.670 -3.898 -14.372 300 HB3 GLU 42 3HB GLU 42 10.236 -4.277 -12.751 301 HG2 GLU 42 2HG GLU 42 8.379 -5.606 -12.281 302 HG3 GLU 42 3HG GLU 42 7.444 -4.926 -13.612 303 H VAL 43 HN VAL 43 7.801 -0.427 -13.166 304 HA VAL 43 HA VAL 43 10.039 0.515 -14.791 305 HB VAL 43 HB VAL 43 7.290 0.974 -14.911 306 HG11 VAL 43 1HG1 VAL 43 7.636 2.653 -13.095 307 HG12 VAL 43 2HG1 VAL 43 8.677 3.553 -14.199 308 HG13 VAL 43 3HG1 VAL 43 6.971 3.321 -14.585 309 HG21 VAL 43 1HG2 VAL 43 9.655 2.246 -16.263 310 HG22 VAL 43 2HG2 VAL 43 8.613 0.957 -16.863 311 HG23 VAL 43 3HG2 VAL 43 7.993 2.602 -16.732 312 H THR 44 HN THR 44 8.758 0.788 -11.614 313 HA THR 44 HA THR 44 9.460 1.898 -9.754 314 HB THR 44 HB THR 44 11.913 2.706 -11.315 315 HG1 THR 44 1HG THR 44 11.297 0.333 -11.248 316 HG21 THR 44 1HG2 THR 44 12.618 3.538 -9.374 317 HG22 THR 44 2HG2 THR 44 12.387 1.971 -8.599 318 HG23 THR 44 3HG2 THR 44 11.063 3.135 -8.648 319 H GLU 45 HN GLU 45 7.900 3.487 -9.712 320 HA GLU 45 HA GLU 45 8.277 5.922 -11.247 321 HB2 GLU 45 2HB GLU 45 6.089 4.704 -9.674 322 HB3 GLU 45 3HB GLU 45 6.153 6.460 -9.657 323 HG2 GLU 45 2HG GLU 45 6.257 4.931 -12.227 324 HG3 GLU 45 3HG GLU 45 4.726 5.306 -11.441 325 H MET 46 HN MET 46 7.006 6.006 -8.000 326 HA MET 46 HA MET 46 9.313 6.853 -6.639 327 HB2 MET 46 2HB MET 46 8.057 9.323 -6.530 328 HB3 MET 46 3HB MET 46 9.545 8.949 -7.390 329 HG2 MET 46 2HG MET 46 8.526 8.911 -9.427 330 HG3 MET 46 3HG MET 46 6.970 8.419 -8.763 331 HE1 MET 46 1HE MET 46 8.498 12.658 -7.897 332 HE2 MET 46 2HE MET 46 8.423 11.375 -6.689 333 HE3 MET 46 3HE MET 46 9.516 11.228 -8.066 334 H ALA 47 HN ALA 47 5.834 6.912 -6.973 335 HA ALA 47 HA ALA 47 4.156 6.576 -5.470 336 HB1 ALA 47 1HB ALA 47 5.580 4.739 -4.664 337 HB2 ALA 47 2HB ALA 47 6.362 5.855 -3.544 338 HB3 ALA 47 3HB ALA 47 4.647 5.484 -3.365 339 H HIS 48 HN HIS 48 3.473 7.281 -3.110 340 HA HIS 48 HA HIS 48 2.894 9.063 -1.814 341 HB2 HIS 48 2HB HIS 48 4.956 8.727 -0.695 342 HB3 HIS 48 3HB HIS 48 5.881 9.409 -2.030 343 HD1 HIS 48 1HD HIS 48 3.007 11.490 -1.292 344 HD2 HIS 48 2HD HIS 48 6.872 11.087 0.178 345 HE1 HIS 48 1HE HIS 48 3.466 13.608 -0.017 346 H THR 49 HN THR 49 5.484 10.956 -3.182 347 HA THR 49 HA THR 49 3.666 13.012 -3.988 348 HB THR 49 HB THR 49 6.564 12.911 -4.791 349 HG1 THR 49 1HG THR 49 6.921 13.952 -2.696 350 HG21 THR 49 1HG2 THR 49 4.454 14.858 -4.859 351 HG22 THR 49 2HG2 THR 49 6.092 14.970 -5.503 352 HG23 THR 49 3HG2 THR 49 5.766 15.434 -3.832 353 H GLU 50 HN GLU 50 3.202 13.749 -6.062 354 HA GLU 50 HA GLU 50 2.730 13.591 -8.282 355 HB2 GLU 50 2HB GLU 50 5.463 12.800 -8.014 356 HB3 GLU 50 3HB GLU 50 4.710 11.791 -9.240 357 HG2 GLU 50 2HG GLU 50 3.851 13.943 -10.273 358 HG3 GLU 50 3HG GLU 50 4.966 14.779 -9.193 359 H THR 51 HN THR 51 2.068 12.055 -10.011 360 HA THR 51 HA THR 51 1.385 9.399 -8.941 361 HB THR 51 HB THR 51 -0.600 10.605 -10.763 362 HG1 THR 51 1HG THR 51 -1.447 11.975 -9.236 363 HG21 THR 51 1HG2 THR 51 -1.253 8.541 -9.951 364 HG22 THR 51 2HG2 THR 51 -2.059 9.631 -8.824 365 HG23 THR 51 3HG2 THR 51 -0.559 8.833 -8.357 366 H GLY 52 HN GLY 52 0.693 7.865 -10.680 367 HA2 GLY 52 1HA GLY 52 0.907 8.080 -13.361 368 HA3 GLY 52 2HA GLY 52 2.590 8.021 -12.860 369 H TRP 53 HN TRP 53 1.883 6.246 -10.569 370 HA TRP 53 HA TRP 53 2.207 3.765 -11.966 371 HB2 TRP 53 2HB TRP 53 3.360 4.199 -9.838 372 HB3 TRP 53 3HB TRP 53 1.806 4.305 -9.015 373 HD1 TRP 53 1HD TRP 53 0.429 1.991 -8.703 374 HE1 TRP 53 1HE TRP 53 1.238 -0.450 -8.613 375 HE3 TRP 53 3HE TRP 53 5.071 2.599 -10.758 376 HZ2 TRP 53 2HZ TRP 53 3.540 -1.924 -9.319 377 HZ3 TRP 53 3HZ TRP 53 6.514 0.623 -11.014 378 HH2 TRP 53 2HH TRP 53 5.763 -1.590 -10.309 379 H SER 54 HN SER 54 0.703 2.330 -12.532 380 HA SER 54 HA SER 54 -2.074 2.927 -12.054 381 HB2 SER 54 2HB SER 54 -1.711 0.347 -13.252 382 HB3 SER 54 3HB SER 54 -2.337 1.824 -13.985 383 HG SER 54 HG SER 54 -0.551 1.887 -15.068 384 H CYS 55 HN CYS 55 -3.586 1.578 -11.022 385 HA CYS 55 HA CYS 55 -2.582 -0.644 -9.426 386 HB2 CYS 55 2HB CYS 55 -4.281 1.272 -7.928 387 HB3 CYS 55 3HB CYS 55 -2.967 0.248 -7.359 388 H HIS 56 HN HIS 56 -4.470 -1.668 -8.178 389 HA HIS 56 HA HIS 56 -6.410 -2.515 -9.988 390 HB2 HIS 56 2HB HIS 56 -5.608 -3.311 -7.499 391 HB3 HIS 56 3HB HIS 56 -7.207 -2.654 -7.156 392 HD1 HIS 56 1HD HIS 56 -5.503 -5.587 -8.546 393 HD2 HIS 56 2HD HIS 56 -9.331 -3.975 -8.609 394 HE1 HIS 56 1HE HIS 56 -7.001 -7.445 -9.338 395 H TYR 57 HN TYR 57 -6.829 -0.320 -7.206 396 HA TYR 57 HA TYR 57 -9.408 0.525 -8.284 397 HB2 TYR 57 2HB TYR 57 -8.117 1.394 -5.696 398 HB3 TYR 57 3HB TYR 57 -9.812 1.543 -6.151 399 HD1 TYR 57 1HD TYR 57 -10.909 -0.831 -6.817 400 HD2 TYR 57 2HD TYR 57 -7.593 -0.281 -4.209 401 HE1 TYR 57 1HE TYR 57 -11.388 -3.001 -5.761 402 HE2 TYR 57 2HE TYR 57 -8.060 -2.449 -3.146 403 HH TYR 57 HH TYR 57 -10.936 -4.096 -3.520 404 H CYS 58 HN CYS 58 -6.820 1.267 -9.520 405 HA CYS 58 HA CYS 58 -6.676 4.141 -9.032 406 HB2 CYS 58 2HB CYS 58 -4.747 2.264 -9.624 407 HB3 CYS 58 3HB CYS 58 -4.998 3.055 -11.175 408 H ASP 59 HN ASP 59 -7.223 1.900 -11.737 409 HA ASP 59 HA ASP 59 -8.916 3.923 -12.999 410 HB2 ASP 59 2HB ASP 59 -6.566 2.567 -14.327 411 HB3 ASP 59 3HB ASP 59 -7.851 3.370 -15.227 412 H ASN 60 HN ASN 60 -10.610 3.103 -14.168 413 HA ASN 60 HA ASN 60 -11.494 0.505 -13.568 414 HB2 ASN 60 2HB ASN 60 -12.780 2.669 -14.375 415 HB3 ASN 60 3HB ASN 60 -12.558 1.940 -15.964 416 HD21 ASN 60 1HD2 ASN 60 -14.601 1.350 -16.402 417 HD22 ASN 60 2HD2 ASN 60 -15.515 0.221 -15.467 Start of MODEL 7 1 H1 GLU 1 HN GLU 1 1.450 4.274 5.442 2 HA GLU 1 HA GLU 1 1.068 2.742 3.778 3 HB2 GLU 1 2HB GLU 1 3.327 4.471 2.897 4 HB3 GLU 1 3HB GLU 1 2.928 3.078 1.901 5 HG2 GLU 1 2HG GLU 1 0.781 3.883 1.436 6 HG3 GLU 1 3HG GLU 1 0.843 5.057 2.749 7 H MET 2 HN MET 2 1.811 1.136 5.553 8 HA MET 2 HA MET 2 4.241 -0.285 4.729 9 HB2 MET 2 2HB MET 2 2.651 -1.092 7.122 10 HB3 MET 2 3HB MET 2 4.388 -1.159 6.859 11 HG2 MET 2 2HG MET 2 4.070 1.485 6.835 12 HG3 MET 2 3HG MET 2 2.699 1.050 7.852 13 HE1 MET 2 1HE MET 2 7.137 0.841 8.890 14 HE2 MET 2 2HE MET 2 6.535 0.267 7.334 15 HE3 MET 2 3HE MET 2 6.332 1.960 7.789 16 H CYS 3 HN CYS 3 3.900 -1.778 3.219 17 HA CYS 3 HA CYS 3 1.670 -2.870 2.235 18 HB2 CYS 3 2HB CYS 3 3.933 -3.411 1.420 19 HB3 CYS 3 3HB CYS 3 4.181 -4.454 2.816 20 H ASP 4 HN ASP 4 -0.053 -3.811 3.081 21 HA ASP 4 HA ASP 4 -0.217 -4.746 5.722 22 HB2 ASP 4 2HB ASP 4 -2.071 -4.037 3.973 23 HB3 ASP 4 3HB ASP 4 -2.113 -5.769 3.653 24 H VAL 5 HN VAL 5 1.232 -6.166 3.070 25 HA VAL 5 HA VAL 5 0.822 -8.894 4.084 26 HB VAL 5 HB VAL 5 2.031 -8.006 1.461 27 HG11 VAL 5 1HG1 VAL 5 2.985 -10.086 1.953 28 HG12 VAL 5 2HG1 VAL 5 1.489 -10.707 2.653 29 HG13 VAL 5 3HG1 VAL 5 1.617 -10.468 0.911 30 HG21 VAL 5 1HG2 VAL 5 -0.717 -8.977 2.197 31 HG22 VAL 5 2HG2 VAL 5 -0.268 -7.494 1.354 32 HG23 VAL 5 3HG2 VAL 5 -0.097 -9.053 0.547 33 H CYS 6 HN CYS 6 3.064 -6.348 4.029 34 HA CYS 6 HA CYS 6 5.154 -8.151 5.041 35 HB2 CYS 6 2HB CYS 6 5.612 -5.799 3.193 36 HB3 CYS 6 3HB CYS 6 6.868 -6.804 3.909 37 H GLU 7 HN GLU 7 4.337 -4.694 4.694 38 HA GLU 7 HA GLU 7 4.101 -3.087 6.325 39 HB2 GLU 7 2HB GLU 7 5.259 -4.909 8.406 40 HB3 GLU 7 3HB GLU 7 4.096 -3.605 8.599 41 HG2 GLU 7 2HG GLU 7 2.917 -5.520 6.898 42 HG3 GLU 7 3HG GLU 7 3.629 -6.391 8.255 43 H VAL 8 HN VAL 8 5.993 -2.548 4.806 44 HA VAL 8 HA VAL 8 8.058 -1.396 6.346 45 HB VAL 8 HB VAL 8 9.697 -2.951 4.689 46 HG11 VAL 8 1HG1 VAL 8 10.414 -3.911 6.951 47 HG12 VAL 8 2HG1 VAL 8 10.521 -2.164 6.733 48 HG13 VAL 8 3HG1 VAL 8 9.180 -2.860 7.643 49 HG21 VAL 8 1HG2 VAL 8 7.615 -4.473 4.676 50 HG22 VAL 8 2HG2 VAL 8 9.184 -5.194 5.040 51 HG23 VAL 8 3HG2 VAL 8 8.056 -4.832 6.346 52 H TRP 9 HN TRP 9 7.670 0.464 5.227 53 HA TRP 9 HA TRP 9 7.448 0.581 2.392 54 HB2 TRP 9 2HB TRP 9 6.446 2.457 3.150 55 HB3 TRP 9 3HB TRP 9 7.394 2.472 4.634 56 HD1 TRP 9 1HD TRP 9 9.879 3.642 4.455 57 HE1 TRP 9 1HE TRP 9 10.674 5.585 2.967 58 HE3 TRP 9 3HE TRP 9 6.161 3.551 0.947 59 HZ2 TRP 9 2HZ TRP 9 9.836 6.906 0.618 60 HZ3 TRP 9 3HZ TRP 9 6.232 5.189 -0.888 61 HH2 TRP 9 2HH TRP 9 8.031 6.831 -1.048 62 H THR 10 HN THR 10 8.924 1.209 0.854 63 HA THR 10 HA THR 10 11.737 1.175 1.720 64 HB THR 10 HB THR 10 11.955 0.804 -0.929 65 HG1 THR 10 1HG THR 10 10.239 -0.450 -1.670 66 HG21 THR 10 1HG2 THR 10 11.194 -1.681 0.444 67 HG22 THR 10 2HG2 THR 10 12.382 -0.699 1.301 68 HG23 THR 10 3HG2 THR 10 12.706 -1.239 -0.346 69 H ALA 11 HN ALA 11 10.385 2.304 -1.340 70 HA ALA 11 HA ALA 11 10.249 4.991 -1.050 71 HB1 ALA 11 1HB ALA 11 12.293 5.554 -0.294 72 HB2 ALA 11 2HB ALA 11 13.048 4.091 -0.928 73 HB3 ALA 11 3HB ALA 11 12.730 5.454 -2.000 74 H GLU 12 HN GLU 12 11.801 2.520 -3.048 75 HA GLU 12 HA GLU 12 11.909 3.632 -5.507 76 HB2 GLU 12 2HB GLU 12 11.103 0.888 -4.622 77 HB3 GLU 12 3HB GLU 12 11.026 1.303 -6.329 78 HG2 GLU 12 2HG GLU 12 13.453 2.061 -6.065 79 HG3 GLU 12 3HG GLU 12 13.424 1.177 -4.540 80 H SER 13 HN SER 13 9.108 1.551 -4.980 81 HA SER 13 HA SER 13 7.220 3.656 -5.543 82 HB2 SER 13 2HB SER 13 7.983 3.177 -7.811 83 HB3 SER 13 3HB SER 13 7.680 1.457 -7.574 84 HG SER 13 HG SER 13 5.810 1.982 -8.411 85 H LEU 14 HN LEU 14 6.429 2.934 -3.513 86 HA LEU 14 HA LEU 14 5.594 0.257 -3.057 87 HB2 LEU 14 2HB LEU 14 5.765 2.666 -1.585 88 HB3 LEU 14 3HB LEU 14 4.102 2.096 -1.465 89 HG LEU 14 HG LEU 14 6.614 0.713 -0.558 90 HD11 LEU 14 1HD1 LEU 14 4.558 2.269 0.694 91 HD12 LEU 14 2HD1 LEU 14 6.031 1.595 1.390 92 HD13 LEU 14 3HD1 LEU 14 4.556 0.630 1.346 93 HD21 LEU 14 1HD2 LEU 14 5.473 -1.065 -1.540 94 HD22 LEU 14 2HD2 LEU 14 3.891 -0.420 -1.099 95 HD23 LEU 14 3HD2 LEU 14 4.940 -1.109 0.142 96 H PHE 15 HN PHE 15 3.811 -0.761 -3.691 97 HA PHE 15 HA PHE 15 1.818 0.682 -5.218 98 HB2 PHE 15 2HB PHE 15 2.436 -2.206 -4.724 99 HB3 PHE 15 3HB PHE 15 0.848 -1.757 -5.334 100 HD1 PHE 15 1HD PHE 15 4.376 -0.756 -6.043 101 HD2 PHE 15 2HD PHE 15 0.619 -2.023 -7.592 102 HE1 PHE 15 1HE PHE 15 5.287 -0.656 -8.327 103 HE2 PHE 15 2HE PHE 15 1.523 -1.925 -9.877 104 HZ PHE 15 HZ PHE 15 3.860 -1.242 -10.247 105 HA PRO 16 HA PRO 16 -0.323 -0.067 -5.932 106 HB2 PRO 16 2HB PRO 16 -2.396 1.685 -5.948 107 HB3 PRO 16 3HB PRO 16 -2.595 -0.032 -5.585 108 HG2 PRO 16 2HG PRO 16 -2.403 2.289 -3.706 109 HG3 PRO 16 3HG PRO 16 -3.498 0.896 -3.654 110 HD2 PRO 16 2HD PRO 16 -1.281 1.063 -2.111 111 HD3 PRO 16 3HD PRO 16 -1.903 -0.483 -2.723 112 H CYS 17 HN CYS 17 -0.651 2.944 -4.039 113 HA CYS 17 HA CYS 17 1.558 4.202 -5.283 114 HB2 CYS 17 2HB CYS 17 0.503 5.794 -6.702 115 HB3 CYS 17 3HB CYS 17 -0.152 4.222 -7.152 116 H ARG 18 HN ARG 18 0.295 6.878 -5.158 117 HA ARG 18 HA ARG 18 0.457 7.195 -2.261 118 HB2 ARG 18 2HB ARG 18 1.662 8.981 -2.846 119 HB3 ARG 18 3HB ARG 18 1.232 8.769 -4.538 120 HG2 ARG 18 2HG ARG 18 0.598 10.971 -3.802 121 HG3 ARG 18 3HG ARG 18 -0.849 10.020 -4.145 122 HD2 ARG 18 2HD ARG 18 -1.589 10.340 -2.076 123 HD3 ARG 18 3HD ARG 18 -0.109 9.651 -1.411 124 HE ARG 18 HE ARG 18 0.295 12.337 -2.236 125 HH11 ARG 18 1HH1 ARG 18 -1.119 10.399 0.287 126 HH12 ARG 18 2HH1 ARG 18 -0.947 11.622 1.502 127 HH21 ARG 18 1HH2 ARG 18 0.527 13.955 -0.645 128 HH22 ARG 18 2HH2 ARG 18 -0.012 13.645 0.971 129 H VAL 19 HN VAL 19 -1.677 8.061 -4.962 130 HA VAL 19 HA VAL 19 -3.657 9.369 -3.479 131 HB VAL 19 HB VAL 19 -3.814 7.849 -6.077 132 HG11 VAL 19 1HG1 VAL 19 -6.025 7.732 -5.659 133 HG12 VAL 19 2HG1 VAL 19 -5.965 8.985 -4.418 134 HG13 VAL 19 3HG1 VAL 19 -6.001 9.433 -6.124 135 HG21 VAL 19 1HG2 VAL 19 -4.382 10.576 -6.398 136 HG22 VAL 19 2HG2 VAL 19 -2.998 10.494 -5.308 137 HG23 VAL 19 3HG2 VAL 19 -2.922 9.716 -6.889 138 H CYS 20 HN CYS 20 -4.705 6.475 -5.111 139 HA CYS 20 HA CYS 20 -6.615 5.667 -3.382 140 HB2 CYS 20 2HB CYS 20 -6.294 3.363 -4.224 141 HB3 CYS 20 3HB CYS 20 -6.257 4.559 -5.516 142 H THR 21 HN THR 21 -6.655 5.181 -1.300 143 HA THR 21 HA THR 21 -4.433 4.948 0.347 144 HB THR 21 HB THR 21 -6.506 3.449 1.564 145 HG1 THR 21 1HG THR 21 -7.639 5.835 0.621 146 HG21 THR 21 1HG2 THR 21 -6.686 5.400 3.012 147 HG22 THR 21 2HG2 THR 21 -5.813 6.377 1.831 148 HG23 THR 21 3HG2 THR 21 -4.993 5.055 2.660 149 H ARG 22 HN ARG 22 -4.634 2.767 1.943 150 HA ARG 22 HA ARG 22 -4.025 0.586 2.182 151 HB2 ARG 22 2HB ARG 22 -4.704 -0.130 -0.621 152 HB3 ARG 22 3HB ARG 22 -5.052 -0.986 0.875 153 HG2 ARG 22 2HG ARG 22 -6.616 1.162 1.221 154 HG3 ARG 22 3HG ARG 22 -6.615 1.070 -0.542 155 HD2 ARG 22 2HD ARG 22 -7.889 -0.771 -0.556 156 HD3 ARG 22 3HD ARG 22 -6.983 -1.516 0.759 157 HE ARG 22 HE ARG 22 -8.592 -0.799 2.209 158 HH11 ARG 22 1HH1 ARG 22 -8.824 1.057 -0.728 159 HH12 ARG 22 2HH1 ARG 22 -10.273 1.877 -0.249 160 HH21 ARG 22 1HH2 ARG 22 -10.500 0.273 2.850 161 HH22 ARG 22 2HH2 ARG 22 -11.225 1.431 1.786 162 H VAL 23 HN VAL 23 -2.436 -1.034 1.390 163 HA VAL 23 HA VAL 23 -0.580 -0.103 -0.646 164 HB VAL 23 HB VAL 23 0.363 1.036 1.216 165 HG11 VAL 23 1HG1 VAL 23 0.887 -0.045 3.337 166 HG12 VAL 23 2HG1 VAL 23 -0.839 -0.158 2.986 167 HG13 VAL 23 3HG1 VAL 23 0.204 -1.560 2.746 168 HG21 VAL 23 1HG2 VAL 23 1.709 -1.072 -0.099 169 HG22 VAL 23 2HG2 VAL 23 2.397 0.396 0.595 170 HG23 VAL 23 3HG2 VAL 23 2.261 -1.063 1.576 171 H PHE 24 HN PHE 24 0.084 -1.783 -1.804 172 HA PHE 24 HA PHE 24 0.590 -4.348 -0.538 173 HB2 PHE 24 2HB PHE 24 -0.839 -5.089 -2.821 174 HB3 PHE 24 3HB PHE 24 -1.366 -5.250 -1.150 175 HD1 PHE 24 1HD PHE 24 -3.030 -3.812 -0.230 176 HD2 PHE 24 2HD PHE 24 -1.567 -3.179 -4.176 177 HE1 PHE 24 1HE PHE 24 -4.884 -2.253 -0.663 178 HE2 PHE 24 2HE PHE 24 -3.418 -1.619 -4.616 179 HZ PHE 24 HZ PHE 24 -5.079 -1.154 -2.858 180 H HIS 25 HN HIS 25 2.589 -4.773 -1.192 181 HA HIS 25 HA HIS 25 3.980 -3.672 -3.277 182 HB2 HIS 25 2HB HIS 25 4.276 -6.437 -2.089 183 HB3 HIS 25 3HB HIS 25 5.461 -5.690 -3.157 184 HD2 HIS 25 2HD HIS 25 4.393 -2.904 -0.970 185 HE1 HIS 25 1HE HIS 25 7.497 -4.826 1.192 186 HE2 HIS 25 2HE HIS 25 6.004 -2.802 1.052 187 H ASP 26 HN ASP 26 4.023 -3.875 -5.425 188 HA ASP 26 HA ASP 26 2.033 -5.092 -6.890 189 HB2 ASP 26 2HB ASP 26 3.107 -4.272 -8.711 190 HB3 ASP 26 3HB ASP 26 4.102 -3.460 -7.506 191 H GLY 27 HN GLY 27 4.930 -6.488 -5.578 192 HA2 GLY 27 1HA GLY 27 4.728 -8.891 -7.199 193 HA3 GLY 27 2HA GLY 27 5.919 -8.572 -5.947 194 H CYS 28 HN CYS 28 4.169 -7.948 -3.833 195 HA CYS 28 HA CYS 28 3.688 -10.438 -2.727 196 HB2 CYS 28 2HB CYS 28 2.709 -7.680 -2.111 197 HB3 CYS 28 3HB CYS 28 2.001 -9.046 -1.256 198 H LEU 29 HN LEU 29 1.193 -8.183 -3.923 199 HA LEU 29 HA LEU 29 -1.038 -9.702 -3.696 200 HB2 LEU 29 2HB LEU 29 -0.352 -8.057 -6.126 201 HB3 LEU 29 3HB LEU 29 -1.969 -8.514 -5.594 202 HG LEU 29 HG LEU 29 -0.126 -6.756 -3.983 203 HD11 LEU 29 1HD1 LEU 29 -1.935 -6.129 -6.241 204 HD12 LEU 29 2HD1 LEU 29 -0.459 -5.324 -5.709 205 HD13 LEU 29 3HD1 LEU 29 -1.974 -5.047 -4.849 206 HD21 LEU 29 1HD2 LEU 29 -2.878 -6.299 -3.513 207 HD22 LEU 29 2HD2 LEU 29 -1.674 -6.966 -2.409 208 HD23 LEU 29 3HD2 LEU 29 -2.610 -8.041 -3.449 209 H ARG 30 HN ARG 30 1.500 -10.069 -6.092 210 HA ARG 30 HA ARG 30 0.038 -12.187 -7.456 211 HB2 ARG 30 2HB ARG 30 1.186 -11.420 -9.209 212 HB3 ARG 30 3HB ARG 30 2.119 -10.354 -8.168 213 HG2 ARG 30 2HG ARG 30 3.708 -12.152 -7.736 214 HG3 ARG 30 3HG ARG 30 2.767 -13.232 -8.766 215 HD2 ARG 30 2HD ARG 30 3.678 -12.401 -10.626 216 HD3 ARG 30 3HD ARG 30 3.415 -10.739 -10.099 217 HE ARG 30 HE ARG 30 5.590 -11.923 -8.710 218 HH11 ARG 30 1HH1 ARG 30 4.687 -10.531 -11.770 219 HH12 ARG 30 2HH1 ARG 30 6.296 -10.021 -12.160 220 HH21 ARG 30 1HH2 ARG 30 7.713 -11.255 -9.212 221 HH22 ARG 30 2HH2 ARG 30 8.016 -10.433 -10.704 222 H ARG 31 HN ARG 31 2.520 -11.775 -5.091 223 HA ARG 31 HA ARG 31 3.602 -14.432 -5.364 224 HB2 ARG 31 2HB ARG 31 4.474 -12.067 -4.198 225 HB3 ARG 31 3HB ARG 31 4.131 -13.109 -2.824 226 HG2 ARG 31 2HG ARG 31 5.768 -14.618 -3.380 227 HG3 ARG 31 3HG ARG 31 5.731 -14.188 -5.090 228 HD2 ARG 31 2HD ARG 31 6.514 -11.841 -3.963 229 HD3 ARG 31 3HD ARG 31 7.258 -13.013 -2.876 230 HE ARG 31 HE ARG 31 8.698 -13.623 -4.557 231 HH11 ARG 31 1HH1 ARG 31 6.130 -11.675 -5.870 232 HH12 ARG 31 2HH1 ARG 31 6.881 -11.498 -7.422 233 HH21 ARG 31 1HH2 ARG 31 9.697 -13.398 -6.596 234 HH22 ARG 31 2HH2 ARG 31 8.909 -12.479 -7.834 235 H MET 32 HN MET 32 0.839 -13.123 -3.969 236 HA MET 32 HA MET 32 0.602 -15.373 -2.084 237 HB2 MET 32 2HB MET 32 -0.891 -12.743 -2.082 238 HB3 MET 32 3HB MET 32 -1.076 -14.031 -0.899 239 HG2 MET 32 2HG MET 32 1.551 -12.669 -1.386 240 HG3 MET 32 3HG MET 32 0.360 -12.049 -0.245 241 HE1 MET 32 1HE MET 32 -0.603 -13.172 1.541 242 HE2 MET 32 2HE MET 32 -0.623 -14.935 1.532 243 HE3 MET 32 3HE MET 32 0.379 -14.070 2.699 244 H GLY 33 HN GLY 33 -0.528 -14.091 -5.009 245 HA2 GLY 33 1HA GLY 33 -1.941 -15.229 -6.501 246 HA3 GLY 33 2HA GLY 33 -2.558 -16.178 -5.157 247 H TYR 34 HN TYR 34 -2.411 -12.822 -4.582 248 HA TYR 34 HA TYR 34 -5.252 -12.645 -4.344 249 HB2 TYR 34 2HB TYR 34 -3.046 -10.602 -4.088 250 HB3 TYR 34 3HB TYR 34 -4.745 -10.207 -3.855 251 HD1 TYR 34 1HD TYR 34 -2.024 -10.494 -2.012 252 HD2 TYR 34 2HD TYR 34 -5.776 -12.470 -2.359 253 HE1 TYR 34 1HE TYR 34 -1.862 -11.203 0.338 254 HE2 TYR 34 2HE TYR 34 -5.624 -13.184 -0.011 255 HH TYR 34 HH TYR 34 -4.189 -12.060 2.165 256 H ILE 35 HN ILE 35 -3.002 -12.050 -6.861 257 HA ILE 35 HA ILE 35 -5.142 -11.285 -8.647 258 HB ILE 35 HB ILE 35 -3.857 -9.308 -9.526 259 HG12 ILE 35 2HG1 ILE 35 -2.407 -8.236 -7.650 260 HG13 ILE 35 3HG1 ILE 35 -2.285 -9.878 -7.030 261 HG21 ILE 35 1HG2 ILE 35 -5.880 -9.149 -8.087 262 HG22 ILE 35 2HG2 ILE 35 -4.820 -9.013 -6.687 263 HG23 ILE 35 3HG2 ILE 35 -4.791 -7.772 -7.939 264 HD11 ILE 35 1HD1 ILE 35 -0.764 -8.647 -9.061 265 HD12 ILE 35 2HD1 ILE 35 -0.654 -10.300 -8.454 266 HD13 ILE 35 3HD1 ILE 35 -1.717 -9.927 -9.810 267 H GLN 36 HN GLN 36 -4.591 -11.492 -10.862 268 HA GLN 36 HA GLN 36 -2.110 -13.015 -11.315 269 HB2 GLN 36 2HB GLN 36 -4.427 -14.132 -11.619 270 HB3 GLN 36 3HB GLN 36 -4.529 -13.175 -13.091 271 HG2 GLN 36 2HG GLN 36 -2.281 -14.205 -13.712 272 HG3 GLN 36 3HG GLN 36 -2.588 -15.353 -12.410 273 HE21 GLN 36 1HE2 GLN 36 -3.032 -17.194 -13.424 274 HE22 GLN 36 2HE2 GLN 36 -4.247 -17.402 -14.635 275 H GLY 37 HN GLY 37 -0.756 -11.362 -11.922 276 HA2 GLY 37 1HA GLY 37 -0.096 -10.591 -14.276 277 HA3 GLY 37 2HA GLY 37 -1.613 -9.707 -14.206 278 H ASP 38 HN ASP 38 0.246 -8.059 -14.703 279 HA ASP 38 HA ASP 38 0.590 -6.533 -12.279 280 HB2 ASP 38 2HB ASP 38 2.879 -7.878 -13.643 281 HB3 ASP 38 3HB ASP 38 3.130 -6.257 -12.999 282 H SER 39 HN SER 39 2.008 -4.480 -12.906 283 HA SER 39 HA SER 39 1.380 -3.625 -15.636 284 HB2 SER 39 2HB SER 39 0.776 -1.757 -13.365 285 HB3 SER 39 3HB SER 39 0.148 -1.746 -15.013 286 HG SER 39 HG SER 39 -0.575 -3.400 -12.848 287 H ALA 40 HN ALA 40 2.868 -2.288 -16.521 288 HA ALA 40 HA ALA 40 4.999 -1.270 -14.759 289 HB1 ALA 40 1HB ALA 40 6.611 -1.718 -16.570 290 HB2 ALA 40 2HB ALA 40 5.853 -3.187 -15.955 291 HB3 ALA 40 3HB ALA 40 5.327 -2.501 -17.491 292 H ALA 41 HN ALA 41 5.332 0.849 -14.898 293 HA ALA 41 HA ALA 41 5.173 2.300 -17.351 294 HB1 ALA 41 1HB ALA 41 3.193 3.380 -17.213 295 HB2 ALA 41 2HB ALA 41 2.728 1.936 -16.313 296 HB3 ALA 41 3HB ALA 41 3.200 3.399 -15.450 297 H GLU 42 HN GLU 42 7.027 3.373 -17.037 298 HA GLU 42 HA GLU 42 7.362 4.839 -14.502 299 HB2 GLU 42 2HB GLU 42 9.800 4.540 -16.049 300 HB3 GLU 42 3HB GLU 42 9.483 4.133 -14.367 301 HG2 GLU 42 2HG GLU 42 8.494 2.007 -15.075 302 HG3 GLU 42 3HG GLU 42 8.842 2.414 -16.754 303 H VAL 43 HN VAL 43 5.991 5.645 -17.026 304 HA VAL 43 HA VAL 43 7.371 7.372 -18.634 305 HB VAL 43 HB VAL 43 4.588 7.689 -17.513 306 HG11 VAL 43 1HG1 VAL 43 5.305 9.873 -18.177 307 HG12 VAL 43 2HG1 VAL 43 5.971 9.252 -19.688 308 HG13 VAL 43 3HG1 VAL 43 4.227 9.250 -19.425 309 HG21 VAL 43 1HG2 VAL 43 4.305 7.120 -20.136 310 HG22 VAL 43 2HG2 VAL 43 5.796 6.247 -19.782 311 HG23 VAL 43 3HG2 VAL 43 4.332 5.898 -18.863 312 H THR 44 HN THR 44 5.772 8.266 -15.573 313 HA THR 44 HA THR 44 7.884 10.136 -14.959 314 HB THR 44 HB THR 44 6.491 11.517 -16.425 315 HG1 THR 44 1HG THR 44 6.974 13.063 -15.075 316 HG21 THR 44 1HG2 THR 44 4.367 10.127 -15.339 317 HG22 THR 44 2HG2 THR 44 4.252 11.547 -16.377 318 HG23 THR 44 3HG2 THR 44 4.213 11.731 -14.624 319 H GLU 45 HN GLU 45 6.933 11.545 -12.939 320 HA GLU 45 HA GLU 45 6.331 11.496 -10.746 321 HB2 GLU 45 2HB GLU 45 4.541 9.168 -11.432 322 HB3 GLU 45 3HB GLU 45 4.371 10.296 -10.094 323 HG2 GLU 45 2HG GLU 45 4.334 11.933 -12.305 324 HG3 GLU 45 3HG GLU 45 3.451 10.504 -12.838 325 H MET 46 HN MET 46 5.942 9.675 -8.871 326 HA MET 46 HA MET 46 7.802 7.464 -9.224 327 HB2 MET 46 2HB MET 46 8.205 9.651 -7.179 328 HB3 MET 46 3HB MET 46 9.037 8.102 -7.138 329 HG2 MET 46 2HG MET 46 9.712 8.775 -9.587 330 HG3 MET 46 3HG MET 46 9.391 10.400 -8.985 331 HE1 MET 46 1HE MET 46 10.174 9.608 -5.830 332 HE2 MET 46 2HE MET 46 11.799 10.292 -5.770 333 HE3 MET 46 3HE MET 46 10.492 11.191 -6.542 334 H ALA 47 HN ALA 47 6.681 8.997 -6.241 335 HA ALA 47 HA ALA 47 4.659 6.941 -5.857 336 HB1 ALA 47 1HB ALA 47 7.235 6.663 -4.745 337 HB2 ALA 47 2HB ALA 47 6.144 7.078 -3.422 338 HB3 ALA 47 3HB ALA 47 5.805 5.677 -4.438 339 H HIS 48 HN HIS 48 6.405 9.636 -4.322 340 HA HIS 48 HA HIS 48 3.991 10.406 -2.879 341 HB2 HIS 48 2HB HIS 48 6.151 10.416 -1.690 342 HB3 HIS 48 3HB HIS 48 6.764 11.617 -2.824 343 HD1 HIS 48 1HD HIS 48 4.380 11.220 0.046 344 HD2 HIS 48 2HD HIS 48 5.948 14.231 -2.349 345 HE1 HIS 48 1HE HIS 48 3.716 13.377 1.157 346 H THR 49 HN THR 49 3.815 10.627 -5.672 347 HA THR 49 HA THR 49 3.798 13.553 -6.042 348 HB THR 49 HB THR 49 3.553 12.475 -8.581 349 HG1 THR 49 1HG THR 49 4.211 10.425 -7.735 350 HG21 THR 49 1HG2 THR 49 5.616 13.517 -9.012 351 HG22 THR 49 2HG2 THR 49 6.198 13.234 -7.371 352 HG23 THR 49 3HG2 THR 49 4.934 14.427 -7.664 353 H GLU 50 HN GLU 50 2.078 14.351 -7.510 354 HA GLU 50 HA GLU 50 -0.456 13.678 -6.617 355 HB2 GLU 50 2HB GLU 50 -1.317 15.119 -8.297 356 HB3 GLU 50 3HB GLU 50 0.235 15.789 -7.817 357 HG2 GLU 50 2HG GLU 50 0.921 15.743 -9.914 358 HG3 GLU 50 3HG GLU 50 0.682 13.997 -9.969 359 H THR 51 HN THR 51 -2.271 13.115 -8.333 360 HA THR 51 HA THR 51 -2.204 10.411 -8.805 361 HB THR 51 HB THR 51 -3.741 12.143 -10.702 362 HG1 THR 51 1HG THR 51 -5.245 12.545 -9.021 363 HG21 THR 51 1HG2 THR 51 -5.185 10.116 -9.230 364 HG22 THR 51 2HG2 THR 51 -3.758 9.440 -10.017 365 HG23 THR 51 3HG2 THR 51 -4.969 10.299 -10.970 366 H GLY 52 HN GLY 52 -1.646 9.073 -10.478 367 HA2 GLY 52 1HA GLY 52 -1.123 9.682 -13.104 368 HA3 GLY 52 2HA GLY 52 0.384 10.019 -12.265 369 H TRP 53 HN TRP 53 0.143 7.931 -10.317 370 HA TRP 53 HA TRP 53 1.148 5.757 -11.909 371 HB2 TRP 53 2HB TRP 53 1.845 6.607 -9.493 372 HB3 TRP 53 3HB TRP 53 0.619 5.447 -8.988 373 HD1 TRP 53 1HD TRP 53 1.149 2.860 -9.340 374 HE1 TRP 53 1HE TRP 53 3.339 1.590 -9.803 375 HE3 TRP 53 3HE TRP 53 4.094 6.801 -10.730 376 HZ2 TRP 53 2HZ TRP 53 5.968 2.181 -10.645 377 HZ3 TRP 53 3HZ TRP 53 6.435 6.363 -11.349 378 HH2 TRP 53 2HH TRP 53 7.350 4.100 -11.306 379 H SER 54 HN SER 54 -0.022 4.166 -12.735 380 HA SER 54 HA SER 54 -2.798 3.859 -12.049 381 HB2 SER 54 2HB SER 54 -1.909 1.696 -13.676 382 HB3 SER 54 3HB SER 54 -2.879 3.090 -14.150 383 HG SER 54 HG SER 54 -0.714 2.680 -15.204 384 H CYS 55 HN CYS 55 -3.793 2.064 -11.127 385 HA CYS 55 HA CYS 55 -2.184 -0.117 -10.107 386 HB2 CYS 55 2HB CYS 55 -3.826 1.130 -7.990 387 HB3 CYS 55 3HB CYS 55 -2.246 0.359 -7.886 388 H HIS 56 HN HIS 56 -3.607 -1.688 -8.853 389 HA HIS 56 HA HIS 56 -5.691 -2.574 -10.437 390 HB2 HIS 56 2HB HIS 56 -4.441 -3.401 -8.046 391 HB3 HIS 56 3HB HIS 56 -6.169 -3.358 -7.710 392 HD1 HIS 56 1HD HIS 56 -4.414 -4.439 -10.902 393 HD2 HIS 56 2HD HIS 56 -6.887 -5.964 -7.932 394 HE1 HIS 56 1HE HIS 56 -4.996 -6.771 -11.643 395 H TYR 57 HN TYR 57 -6.147 -1.219 -7.167 396 HA TYR 57 HA TYR 57 -8.901 -0.586 -7.784 397 HB2 TYR 57 2HB TYR 57 -7.487 0.239 -5.265 398 HB3 TYR 57 3HB TYR 57 -9.183 -0.171 -5.496 399 HD1 TYR 57 1HD TYR 57 -9.861 -2.543 -5.733 400 HD2 TYR 57 2HD TYR 57 -5.858 -1.445 -4.795 401 HE1 TYR 57 1HE TYR 57 -9.411 -4.842 -4.983 402 HE2 TYR 57 2HE TYR 57 -5.398 -3.741 -4.045 403 HH TYR 57 HH TYR 57 -6.285 -6.012 -4.413 404 H CYS 58 HN CYS 58 -6.549 0.820 -9.072 405 HA CYS 58 HA CYS 58 -6.685 3.528 -8.111 406 HB2 CYS 58 2HB CYS 58 -4.812 2.166 -9.510 407 HB3 CYS 58 3HB CYS 58 -5.625 3.008 -10.825 408 H ASP 59 HN ASP 59 -7.377 2.207 -11.350 409 HA ASP 59 HA ASP 59 -9.327 4.340 -11.761 410 HB2 ASP 59 2HB ASP 59 -7.736 2.557 -13.514 411 HB3 ASP 59 3HB ASP 59 -9.336 2.997 -14.104 412 H ASN 60 HN ASN 60 -11.168 3.785 -10.693 413 HA ASN 60 HA ASN 60 -12.229 1.131 -10.692 414 HB2 ASN 60 2HB ASN 60 -12.631 3.381 -9.159 415 HB3 ASN 60 3HB ASN 60 -14.121 3.291 -10.092 416 HD21 ASN 60 1HD2 ASN 60 -14.686 3.012 -7.659 417 HD22 ASN 60 2HD2 ASN 60 -14.867 1.373 -7.144 Start of MODEL 8 1 H1 GLU 1 HN GLU 1 2.929 4.767 4.903 2 HA GLU 1 HA GLU 1 0.880 2.784 4.243 3 HB2 GLU 1 2HB GLU 1 2.663 4.500 2.512 4 HB3 GLU 1 3HB GLU 1 1.580 3.272 1.873 5 HG2 GLU 1 2HG GLU 1 -0.179 4.616 2.017 6 HG3 GLU 1 3HG GLU 1 0.213 5.077 3.673 7 H MET 2 HN MET 2 1.888 0.983 5.237 8 HA MET 2 HA MET 2 4.303 0.027 3.847 9 HB2 MET 2 2HB MET 2 3.474 -1.122 6.471 10 HB3 MET 2 3HB MET 2 5.083 -0.943 5.786 11 HG2 MET 2 2HG MET 2 4.881 1.517 6.159 12 HG3 MET 2 3HG MET 2 3.378 1.201 7.022 13 HE1 MET 2 1HE MET 2 7.385 0.036 7.251 14 HE2 MET 2 2HE MET 2 6.890 1.714 7.027 15 HE3 MET 2 3HE MET 2 7.526 1.182 8.584 16 H CYS 3 HN CYS 3 4.149 -1.790 2.693 17 HA CYS 3 HA CYS 3 1.944 -2.971 1.779 18 HB2 CYS 3 2HB CYS 3 4.253 -3.592 1.112 19 HB3 CYS 3 3HB CYS 3 4.400 -4.543 2.588 20 H ASP 4 HN ASP 4 0.229 -3.978 2.578 21 HA ASP 4 HA ASP 4 0.006 -4.614 5.336 22 HB2 ASP 4 2HB ASP 4 -1.807 -4.023 3.463 23 HB3 ASP 4 3HB ASP 4 -1.919 -5.780 3.387 24 H VAL 5 HN VAL 5 1.614 -6.206 2.966 25 HA VAL 5 HA VAL 5 1.120 -8.847 4.184 26 HB VAL 5 HB VAL 5 2.145 -8.232 1.407 27 HG11 VAL 5 1HG1 VAL 5 1.749 -10.757 1.157 28 HG12 VAL 5 2HG1 VAL 5 3.195 -10.228 2.019 29 HG13 VAL 5 3HG1 VAL 5 1.791 -10.799 2.919 30 HG21 VAL 5 1HG2 VAL 5 -0.146 -7.803 1.344 31 HG22 VAL 5 2HG2 VAL 5 -0.025 -9.480 0.813 32 HG23 VAL 5 3HG2 VAL 5 -0.520 -9.113 2.465 33 H CYS 6 HN CYS 6 3.245 -6.346 4.168 34 HA CYS 6 HA CYS 6 5.418 -8.068 5.083 35 HB2 CYS 6 2HB CYS 6 5.811 -5.891 3.016 36 HB3 CYS 6 3HB CYS 6 7.092 -6.834 3.773 37 H GLU 7 HN GLU 7 4.320 -4.723 4.594 38 HA GLU 7 HA GLU 7 4.136 -3.029 6.143 39 HB2 GLU 7 2HB GLU 7 5.775 -4.566 8.129 40 HB3 GLU 7 3HB GLU 7 4.524 -3.367 8.420 41 HG2 GLU 7 2HG GLU 7 3.318 -5.509 7.035 42 HG3 GLU 7 3HG GLU 7 4.302 -6.200 8.324 43 H VAL 8 HN VAL 8 5.806 -2.594 4.255 44 HA VAL 8 HA VAL 8 8.033 -1.239 5.517 45 HB VAL 8 HB VAL 8 9.194 -2.487 3.250 46 HG11 VAL 8 1HG1 VAL 8 9.655 -2.665 6.217 47 HG12 VAL 8 2HG1 VAL 8 10.706 -3.448 5.035 48 HG13 VAL 8 3HG1 VAL 8 10.527 -1.693 5.033 49 HG21 VAL 8 1HG2 VAL 8 8.003 -4.473 5.184 50 HG22 VAL 8 2HG2 VAL 8 7.490 -4.238 3.513 51 HG23 VAL 8 3HG2 VAL 8 9.111 -4.840 3.862 52 H TRP 9 HN TRP 9 8.180 0.713 4.644 53 HA TRP 9 HA TRP 9 7.091 1.124 1.942 54 HB2 TRP 9 2HB TRP 9 5.884 2.684 3.037 55 HB3 TRP 9 3HB TRP 9 6.956 2.661 4.433 56 HD1 TRP 9 1HD TRP 9 8.666 4.611 4.662 57 HE1 TRP 9 1HE TRP 9 9.188 6.713 3.272 58 HE3 TRP 9 3HE TRP 9 5.934 3.518 0.482 59 HZ2 TRP 9 2HZ TRP 9 8.529 7.769 0.738 60 HZ3 TRP 9 3HZ TRP 9 5.932 5.127 -1.379 61 HH2 TRP 9 2HH TRP 9 7.203 7.208 -1.252 62 H THR 10 HN THR 10 8.145 2.875 0.666 63 HA THR 10 HA THR 10 10.848 3.602 1.263 64 HB THR 10 HB THR 10 11.584 2.451 -1.014 65 HG1 THR 10 1HG THR 10 9.225 1.242 -0.385 66 HG21 THR 10 1HG2 THR 10 11.529 0.518 1.225 67 HG22 THR 10 2HG2 THR 10 12.227 2.100 1.573 68 HG23 THR 10 3HG2 THR 10 12.890 1.111 0.272 69 H ALA 11 HN ALA 11 11.247 5.491 0.312 70 HA ALA 11 HA ALA 11 9.488 6.996 -1.096 71 HB1 ALA 11 1HB ALA 11 12.221 7.426 -2.035 72 HB2 ALA 11 2HB ALA 11 11.129 8.514 -1.178 73 HB3 ALA 11 3HB ALA 11 12.076 7.328 -0.281 74 H GLU 12 HN GLU 12 11.482 4.432 -2.344 75 HA GLU 12 HA GLU 12 11.766 4.798 -4.971 76 HB2 GLU 12 2HB GLU 12 11.022 2.440 -3.357 77 HB3 GLU 12 3HB GLU 12 10.712 2.300 -5.082 78 HG2 GLU 12 2HG GLU 12 12.871 1.404 -4.629 79 HG3 GLU 12 3HG GLU 12 13.074 2.920 -5.505 80 H SER 13 HN SER 13 8.863 2.964 -4.135 81 HA SER 13 HA SER 13 6.906 4.702 -5.029 82 HB2 SER 13 2HB SER 13 8.445 3.505 -7.199 83 HB3 SER 13 3HB SER 13 6.721 3.152 -7.324 84 HG SER 13 HG SER 13 6.635 5.595 -6.799 85 H LEU 14 HN LEU 14 6.381 3.334 -3.080 86 HA LEU 14 HA LEU 14 5.606 0.607 -3.520 87 HB2 LEU 14 2HB LEU 14 6.389 1.522 -1.336 88 HB3 LEU 14 3HB LEU 14 4.879 2.422 -1.227 89 HG LEU 14 HG LEU 14 4.086 -0.212 -1.628 90 HD11 LEU 14 1HD1 LEU 14 5.299 -1.596 -0.208 91 HD12 LEU 14 2HD1 LEU 14 6.118 -0.243 0.572 92 HD13 LEU 14 3HD1 LEU 14 6.549 -0.705 -1.075 93 HD21 LEU 14 1HD2 LEU 14 3.069 0.015 0.460 94 HD22 LEU 14 2HD2 LEU 14 3.218 1.674 -0.122 95 HD23 LEU 14 3HD2 LEU 14 4.354 1.054 1.078 96 H PHE 15 HN PHE 15 3.628 -0.219 -3.948 97 HA PHE 15 HA PHE 15 1.609 1.607 -4.914 98 HB2 PHE 15 2HB PHE 15 1.143 -1.338 -4.726 99 HB3 PHE 15 3HB PHE 15 0.662 -0.207 -5.986 100 HD1 PHE 15 1HD PHE 15 3.028 -2.666 -4.989 101 HD2 PHE 15 2HD PHE 15 2.506 0.744 -7.481 102 HE1 PHE 15 1HE PHE 15 4.959 -3.366 -6.344 103 HE2 PHE 15 2HE PHE 15 4.435 0.050 -8.841 104 HZ PHE 15 HZ PHE 15 5.663 -2.008 -8.274 105 HA PRO 16 HA PRO 16 -0.660 1.178 -5.450 106 HB2 PRO 16 2HB PRO 16 -2.528 3.072 -4.904 107 HB3 PRO 16 3HB PRO 16 -2.860 1.338 -4.808 108 HG2 PRO 16 2HG PRO 16 -2.215 3.269 -2.612 109 HG3 PRO 16 3HG PRO 16 -3.436 1.983 -2.649 110 HD2 PRO 16 2HD PRO 16 -1.049 1.692 -1.403 111 HD3 PRO 16 3HD PRO 16 -1.895 0.335 -2.174 112 H CYS 17 HN CYS 17 -1.106 3.478 -6.530 113 HA CYS 17 HA CYS 17 1.131 4.830 -6.950 114 HB2 CYS 17 2HB CYS 17 -1.350 6.461 -6.479 115 HB3 CYS 17 3HB CYS 17 -0.107 6.678 -7.707 116 H ARG 18 HN ARG 18 -1.142 6.258 -4.608 117 HA ARG 18 HA ARG 18 0.915 6.601 -2.628 118 HB2 ARG 18 2HB ARG 18 1.654 8.585 -3.364 119 HB3 ARG 18 3HB ARG 18 0.344 8.722 -4.531 120 HG2 ARG 18 2HG ARG 18 0.228 10.581 -3.039 121 HG3 ARG 18 3HG ARG 18 -1.131 9.510 -2.694 122 HD2 ARG 18 2HD ARG 18 -0.461 9.739 -0.561 123 HD3 ARG 18 3HD ARG 18 0.735 8.520 -1.003 124 HE ARG 18 HE ARG 18 2.325 10.097 -0.622 125 HH11 ARG 18 1HH1 ARG 18 -0.614 11.721 -1.540 126 HH12 ARG 18 2HH1 ARG 18 0.055 13.309 -1.368 127 HH21 ARG 18 1HH2 ARG 18 3.219 12.183 -0.393 128 HH22 ARG 18 2HH2 ARG 18 2.236 13.571 -0.717 129 H VAL 19 HN VAL 19 -2.320 7.413 -3.772 130 HA VAL 19 HA VAL 19 -3.349 6.924 -1.083 131 HB VAL 19 HB VAL 19 -4.866 8.912 -1.273 132 HG11 VAL 19 1HG1 VAL 19 -3.450 9.990 0.069 133 HG12 VAL 19 2HG1 VAL 19 -2.281 8.724 -0.309 134 HG13 VAL 19 3HG1 VAL 19 -2.281 10.229 -1.228 135 HG21 VAL 19 1HG2 VAL 19 -4.828 10.304 -3.020 136 HG22 VAL 19 2HG2 VAL 19 -3.067 10.368 -3.041 137 HG23 VAL 19 3HG2 VAL 19 -3.910 9.048 -3.851 138 H CYS 20 HN CYS 20 -4.359 5.065 -1.754 139 HA CYS 20 HA CYS 20 -6.769 5.450 -3.336 140 HB2 CYS 20 2HB CYS 20 -5.042 3.106 -4.046 141 HB3 CYS 20 3HB CYS 20 -6.321 3.869 -4.985 142 H THR 21 HN THR 21 -5.649 4.604 -0.558 143 HA THR 21 HA THR 21 -6.555 3.407 1.172 144 HB THR 21 HB THR 21 -8.384 1.729 -0.398 145 HG1 THR 21 1HG THR 21 -9.156 3.292 -1.583 146 HG21 THR 21 1HG2 THR 21 -8.417 3.389 2.077 147 HG22 THR 21 2HG2 THR 21 -8.895 1.708 1.839 148 HG23 THR 21 3HG2 THR 21 -9.955 3.010 1.300 149 H ARG 22 HN ARG 22 -5.308 1.881 2.011 150 HA ARG 22 HA ARG 22 -4.399 -0.200 2.355 151 HB2 ARG 22 2HB ARG 22 -5.197 -1.094 -0.393 152 HB3 ARG 22 3HB ARG 22 -5.013 -2.048 1.073 153 HG2 ARG 22 2HG ARG 22 -7.063 -0.125 1.503 154 HG3 ARG 22 3HG ARG 22 -7.370 -0.949 -0.027 155 HD2 ARG 22 2HD ARG 22 -8.386 -2.430 1.362 156 HD3 ARG 22 3HD ARG 22 -6.747 -3.071 1.453 157 HE ARG 22 HE ARG 22 -6.736 -2.525 3.661 158 HH11 ARG 22 1HH1 ARG 22 -9.103 -0.544 2.053 159 HH12 ARG 22 2HH1 ARG 22 -9.661 0.204 3.512 160 HH21 ARG 22 1HH2 ARG 22 -7.462 -1.548 5.591 161 HH22 ARG 22 2HH2 ARG 22 -8.726 -0.367 5.524 162 H VAL 23 HN VAL 23 -2.398 -1.159 1.881 163 HA VAL 23 HA VAL 23 -0.942 -0.062 -0.423 164 HB VAL 23 HB VAL 23 1.003 0.423 0.878 165 HG11 VAL 23 1HG1 VAL 23 -0.068 2.022 2.651 166 HG12 VAL 23 2HG1 VAL 23 -0.295 2.321 0.926 167 HG13 VAL 23 3HG1 VAL 23 -1.575 1.552 1.865 168 HG21 VAL 23 1HG2 VAL 23 1.024 -1.335 2.471 169 HG22 VAL 23 2HG2 VAL 23 0.933 0.169 3.386 170 HG23 VAL 23 3HG2 VAL 23 -0.513 -0.817 3.165 171 H PHE 24 HN PHE 24 0.088 -1.572 -1.556 172 HA PHE 24 HA PHE 24 1.076 -3.976 -0.231 173 HB2 PHE 24 2HB PHE 24 0.025 -5.093 -2.489 174 HB3 PHE 24 3HB PHE 24 -0.745 -5.129 -0.906 175 HD1 PHE 24 1HD PHE 24 -2.920 -4.416 -0.737 176 HD2 PHE 24 2HD PHE 24 -0.501 -2.933 -3.910 177 HE1 PHE 24 1HE PHE 24 -4.863 -3.218 -1.656 178 HE2 PHE 24 2HE PHE 24 -2.440 -1.732 -4.833 179 HZ PHE 24 HZ PHE 24 -4.624 -1.873 -3.705 180 H HIS 25 HN HIS 25 2.344 -5.353 -1.837 181 HA HIS 25 HA HIS 25 4.021 -3.548 -3.413 182 HB2 HIS 25 2HB HIS 25 4.430 -6.241 -2.168 183 HB3 HIS 25 3HB HIS 25 5.456 -5.746 -3.511 184 HD2 HIS 25 2HD HIS 25 5.941 -2.622 -2.555 185 HE1 HIS 25 1HE HIS 25 7.480 -4.424 0.964 186 HE2 HIS 25 2HE HIS 25 7.309 -2.303 -0.384 187 H ASP 26 HN ASP 26 5.148 -5.097 -5.270 188 HA ASP 26 HA ASP 26 2.924 -5.627 -7.085 189 HB2 ASP 26 2HB ASP 26 4.416 -4.291 -8.222 190 HB3 ASP 26 3HB ASP 26 5.818 -4.989 -7.418 191 H GLY 27 HN GLY 27 5.388 -7.281 -5.309 192 HA2 GLY 27 1HA GLY 27 5.069 -9.733 -6.863 193 HA3 GLY 27 2HA GLY 27 6.203 -9.477 -5.545 194 H CYS 28 HN CYS 28 4.395 -8.517 -3.608 195 HA CYS 28 HA CYS 28 3.475 -10.928 -2.505 196 HB2 CYS 28 2HB CYS 28 2.683 -8.089 -1.824 197 HB3 CYS 28 3HB CYS 28 2.355 -9.501 -0.823 198 H LEU 29 HN LEU 29 1.672 -8.254 -4.007 199 HA LEU 29 HA LEU 29 -0.896 -9.230 -3.728 200 HB2 LEU 29 2HB LEU 29 0.285 -7.697 -6.038 201 HB3 LEU 29 3HB LEU 29 -1.440 -7.922 -5.760 202 HG LEU 29 HG LEU 29 0.423 -6.473 -3.880 203 HD11 LEU 29 1HD1 LEU 29 0.043 -4.550 -4.957 204 HD12 LEU 29 2HD1 LEU 29 -1.639 -4.955 -5.294 205 HD13 LEU 29 3HD1 LEU 29 -0.359 -5.578 -6.333 206 HD21 LEU 29 1HD2 LEU 29 -1.247 -6.652 -2.430 207 HD22 LEU 29 2HD2 LEU 29 -2.252 -7.478 -3.621 208 HD23 LEU 29 3HD2 LEU 29 -2.256 -5.716 -3.533 209 H ARG 30 HN ARG 30 1.649 -10.372 -5.757 210 HA ARG 30 HA ARG 30 -0.172 -11.956 -7.399 211 HB2 ARG 30 2HB ARG 30 1.412 -11.717 -8.950 212 HB3 ARG 30 3HB ARG 30 2.391 -10.815 -7.801 213 HG2 ARG 30 2HG ARG 30 3.281 -13.004 -6.977 214 HG3 ARG 30 3HG ARG 30 2.443 -13.775 -8.326 215 HD2 ARG 30 2HD ARG 30 3.949 -13.052 -9.832 216 HD3 ARG 30 3HD ARG 30 4.097 -11.469 -9.068 217 HE ARG 30 HE ARG 30 5.890 -12.248 -7.860 218 HH11 ARG 30 1HH1 ARG 30 4.256 -14.917 -9.383 219 HH12 ARG 30 2HH1 ARG 30 5.496 -16.065 -9.000 220 HH21 ARG 30 1HH2 ARG 30 7.531 -13.749 -7.350 221 HH22 ARG 30 2HH2 ARG 30 7.358 -15.399 -7.843 222 H ARG 31 HN ARG 31 2.203 -12.314 -4.846 223 HA ARG 31 HA ARG 31 2.438 -15.131 -4.955 224 HB2 ARG 31 2HB ARG 31 3.552 -13.043 -3.443 225 HB3 ARG 31 3HB ARG 31 2.764 -14.099 -2.278 226 HG2 ARG 31 2HG ARG 31 4.000 -16.015 -3.312 227 HG3 ARG 31 3HG ARG 31 4.903 -14.830 -4.259 228 HD2 ARG 31 2HD ARG 31 5.543 -13.740 -2.085 229 HD3 ARG 31 3HD ARG 31 4.832 -15.130 -1.263 230 HE ARG 31 HE ARG 31 6.665 -16.374 -1.847 231 HH11 ARG 31 1HH1 ARG 31 6.622 -13.441 -3.720 232 HH12 ARG 31 2HH1 ARG 31 8.203 -13.687 -4.384 233 HH21 ARG 31 1HH2 ARG 31 8.748 -16.710 -2.714 234 HH22 ARG 31 2HH2 ARG 31 9.412 -15.548 -3.811 235 H MET 32 HN MET 32 0.234 -12.959 -3.276 236 HA MET 32 HA MET 32 -1.085 -15.199 -1.954 237 HB2 MET 32 2HB MET 32 -1.811 -12.269 -1.836 238 HB3 MET 32 3HB MET 32 -2.349 -13.543 -0.747 239 HG2 MET 32 2HG MET 32 0.566 -13.040 -0.993 240 HG3 MET 32 3HG MET 32 -0.415 -11.883 -0.097 241 HE1 MET 32 1HE MET 32 -2.136 -14.198 2.515 242 HE2 MET 32 2HE MET 32 -1.432 -12.582 2.558 243 HE3 MET 32 3HE MET 32 -2.484 -13.051 1.221 244 H GLY 33 HN GLY 33 -1.142 -14.292 -4.964 245 HA2 GLY 33 1HA GLY 33 -2.660 -14.381 -6.683 246 HA3 GLY 33 2HA GLY 33 -3.622 -15.385 -5.608 247 H TYR 34 HN TYR 34 -2.712 -12.000 -5.154 248 HA TYR 34 HA TYR 34 -5.493 -11.321 -4.716 249 HB2 TYR 34 2HB TYR 34 -2.869 -10.002 -4.246 250 HB3 TYR 34 3HB TYR 34 -4.266 -8.956 -4.469 251 HD1 TYR 34 1HD TYR 34 -6.430 -10.204 -3.120 252 HD2 TYR 34 2HD TYR 34 -2.323 -10.153 -2.014 253 HE1 TYR 34 1HE TYR 34 -7.066 -10.545 -0.769 254 HE2 TYR 34 2HE TYR 34 -2.946 -10.494 0.340 255 HH TYR 34 HH TYR 34 -5.512 -11.669 1.412 256 H ILE 35 HN ILE 35 -2.990 -10.752 -7.108 257 HA ILE 35 HA ILE 35 -5.033 -9.699 -8.922 258 HB ILE 35 HB ILE 35 -3.452 -7.971 -9.755 259 HG12 ILE 35 2HG1 ILE 35 -1.693 -7.347 -7.891 260 HG13 ILE 35 3HG1 ILE 35 -1.820 -9.057 -7.495 261 HG21 ILE 35 1HG2 ILE 35 -3.623 -6.997 -7.071 262 HG22 ILE 35 2HG2 ILE 35 -4.598 -6.567 -8.475 263 HG23 ILE 35 3HG2 ILE 35 -5.072 -7.926 -7.456 264 HD11 ILE 35 1HD1 ILE 35 -1.142 -7.999 -10.227 265 HD12 ILE 35 2HD1 ILE 35 0.045 -8.506 -9.024 266 HD13 ILE 35 3HD1 ILE 35 -1.094 -9.677 -9.688 267 H GLN 36 HN GLN 36 -3.692 -9.249 -11.153 268 HA GLN 36 HA GLN 36 -2.782 -11.887 -11.913 269 HB2 GLN 36 2HB GLN 36 -4.154 -9.855 -13.210 270 HB3 GLN 36 3HB GLN 36 -2.564 -9.824 -13.959 271 HG2 GLN 36 2HG GLN 36 -3.939 -11.258 -15.251 272 HG3 GLN 36 3HG GLN 36 -2.790 -12.270 -14.375 273 HE21 GLN 36 1HE2 GLN 36 -6.016 -10.864 -13.899 274 HE22 GLN 36 2HE2 GLN 36 -6.724 -12.287 -13.224 275 H GLY 37 HN GLY 37 -1.460 -8.579 -12.090 276 HA2 GLY 37 1HA GLY 37 0.743 -7.923 -11.691 277 HA3 GLY 37 2HA GLY 37 1.199 -9.616 -11.570 278 H ASP 38 HN ASP 38 2.676 -7.652 -12.965 279 HA ASP 38 HA ASP 38 3.821 -7.423 -14.919 280 HB2 ASP 38 2HB ASP 38 3.365 -10.069 -14.778 281 HB3 ASP 38 3HB ASP 38 2.462 -9.704 -16.246 282 H SER 39 HN SER 39 3.284 -5.724 -16.105 283 HA SER 39 HA SER 39 1.352 -5.886 -18.185 284 HB2 SER 39 2HB SER 39 0.434 -4.946 -15.614 285 HB3 SER 39 3HB SER 39 0.324 -3.655 -16.810 286 HG SER 39 HG SER 39 -1.380 -5.556 -16.494 287 H ALA 40 HN ALA 40 4.158 -5.132 -17.628 288 HA ALA 40 HA ALA 40 5.699 -3.631 -18.369 289 HB1 ALA 40 1HB ALA 40 5.265 -3.132 -20.485 290 HB2 ALA 40 2HB ALA 40 3.572 -3.552 -20.225 291 HB3 ALA 40 3HB ALA 40 4.116 -1.892 -19.980 292 H ALA 41 HN ALA 41 6.579 -1.757 -17.634 293 HA ALA 41 HA ALA 41 5.367 0.643 -17.088 294 HB1 ALA 41 1HB ALA 41 5.070 -1.312 -14.844 295 HB2 ALA 41 2HB ALA 41 5.236 0.412 -14.510 296 HB3 ALA 41 3HB ALA 41 3.895 -0.170 -15.497 297 H GLU 42 HN GLU 42 6.992 -0.641 -14.322 298 HA GLU 42 HA GLU 42 8.984 -0.066 -13.365 299 HB2 GLU 42 2HB GLU 42 10.214 -0.400 -16.085 300 HB3 GLU 42 3HB GLU 42 10.880 -0.829 -14.516 301 HG2 GLU 42 2HG GLU 42 8.585 -2.358 -14.706 302 HG3 GLU 42 3HG GLU 42 9.261 -2.391 -16.332 303 H VAL 43 HN VAL 43 7.461 2.150 -14.286 304 HA VAL 43 HA VAL 43 9.637 4.047 -14.872 305 HB VAL 43 HB VAL 43 8.443 4.057 -16.885 306 HG11 VAL 43 1HG1 VAL 43 6.034 3.717 -15.152 307 HG12 VAL 43 2HG1 VAL 43 5.860 4.399 -16.769 308 HG13 VAL 43 3HG1 VAL 43 6.545 2.787 -16.560 309 HG21 VAL 43 1HG2 VAL 43 6.824 6.222 -15.717 310 HG22 VAL 43 2HG2 VAL 43 8.555 6.303 -15.385 311 HG23 VAL 43 3HG2 VAL 43 7.978 6.258 -17.051 312 H THR 44 HN THR 44 9.821 4.426 -12.616 313 HA THR 44 HA THR 44 8.361 6.613 -11.657 314 HB THR 44 HB THR 44 6.594 4.810 -11.414 315 HG1 THR 44 1HG THR 44 7.317 6.772 -9.775 316 HG21 THR 44 1HG2 THR 44 8.088 3.006 -10.668 317 HG22 THR 44 2HG2 THR 44 6.792 3.299 -9.508 318 HG23 THR 44 3HG2 THR 44 8.418 3.901 -9.185 319 H GLU 45 HN GLU 45 9.398 7.550 -9.959 320 HA GLU 45 HA GLU 45 11.424 5.951 -8.546 321 HB2 GLU 45 2HB GLU 45 11.927 8.034 -10.393 322 HB3 GLU 45 3HB GLU 45 12.288 8.676 -8.796 323 HG2 GLU 45 2HG GLU 45 13.800 6.817 -8.374 324 HG3 GLU 45 3HG GLU 45 13.424 6.144 -9.958 325 H MET 46 HN MET 46 8.718 7.809 -8.304 326 HA MET 46 HA MET 46 9.381 8.604 -5.546 327 HB2 MET 46 2HB MET 46 7.934 10.086 -7.698 328 HB3 MET 46 3HB MET 46 7.437 10.329 -6.028 329 HG2 MET 46 2HG MET 46 10.325 10.538 -6.669 330 HG3 MET 46 3HG MET 46 9.258 11.844 -7.180 331 HE1 MET 46 1HE MET 46 10.916 13.344 -5.721 332 HE2 MET 46 2HE MET 46 9.249 13.922 -5.698 333 HE3 MET 46 3HE MET 46 10.195 13.895 -4.209 334 H ALA 47 HN ALA 47 6.225 8.991 -6.960 335 HA ALA 47 HA ALA 47 4.934 6.650 -6.558 336 HB1 ALA 47 1HB ALA 47 5.224 6.136 -4.404 337 HB2 ALA 47 2HB ALA 47 5.788 7.758 -4.001 338 HB3 ALA 47 3HB ALA 47 4.059 7.418 -4.072 339 H HIS 48 HN HIS 48 4.124 8.232 -8.261 340 HA HIS 48 HA HIS 48 2.181 9.191 -9.036 341 HB2 HIS 48 2HB HIS 48 1.295 8.244 -6.676 342 HB3 HIS 48 3HB HIS 48 1.172 9.972 -6.358 343 HD1 HIS 48 1HD HIS 48 -1.269 10.411 -6.553 344 HD2 HIS 48 2HD HIS 48 0.172 8.136 -9.717 345 HE1 HIS 48 1HE HIS 48 -3.195 10.190 -8.155 346 H THR 49 HN THR 49 4.369 10.609 -9.173 347 HA THR 49 HA THR 49 3.464 13.323 -8.697 348 HB THR 49 HB THR 49 5.853 13.869 -7.806 349 HG1 THR 49 1HG THR 49 5.560 11.139 -7.028 350 HG21 THR 49 1HG2 THR 49 4.831 14.243 -5.842 351 HG22 THR 49 2HG2 THR 49 4.436 12.537 -5.623 352 HG23 THR 49 3HG2 THR 49 3.399 13.564 -6.612 353 H GLU 50 HN GLU 50 3.629 14.174 -10.663 354 HA GLU 50 HA GLU 50 4.407 14.715 -12.734 355 HB2 GLU 50 2HB GLU 50 6.156 15.733 -11.194 356 HB3 GLU 50 3HB GLU 50 7.159 14.335 -11.559 357 HG2 GLU 50 2HG GLU 50 6.196 15.473 -13.996 358 HG3 GLU 50 3HG GLU 50 6.930 16.732 -13.004 359 H THR 51 HN THR 51 4.112 11.822 -11.946 360 HA THR 51 HA THR 51 5.810 10.675 -14.067 361 HB THR 51 HB THR 51 5.545 8.483 -12.864 362 HG1 THR 51 1HG THR 51 4.858 8.582 -10.696 363 HG21 THR 51 1HG2 THR 51 7.638 9.134 -12.367 364 HG22 THR 51 2HG2 THR 51 6.976 9.543 -10.784 365 HG23 THR 51 3HG2 THR 51 7.140 10.789 -12.020 366 H GLY 52 HN GLY 52 3.219 9.008 -12.398 367 HA2 GLY 52 1HA GLY 52 0.909 9.173 -13.409 368 HA3 GLY 52 2HA GLY 52 1.728 8.947 -14.947 369 H TRP 53 HN TRP 53 1.695 7.372 -11.745 370 HA TRP 53 HA TRP 53 1.771 4.777 -13.113 371 HB2 TRP 53 2HB TRP 53 3.130 5.770 -10.863 372 HB3 TRP 53 3HB TRP 53 1.967 4.605 -10.235 373 HD1 TRP 53 1HD TRP 53 4.984 4.821 -12.614 374 HE1 TRP 53 1HE TRP 53 5.970 2.460 -12.886 375 HE3 TRP 53 3HE TRP 53 1.443 2.161 -10.060 376 HZ2 TRP 53 2HZ TRP 53 5.332 -0.182 -12.120 377 HZ3 TRP 53 3HZ TRP 53 1.704 -0.278 -9.876 378 HH2 TRP 53 2HH TRP 53 3.610 -1.423 -10.886 379 H SER 54 HN SER 54 -0.006 3.583 -13.244 380 HA SER 54 HA SER 54 -2.286 4.269 -11.520 381 HB2 SER 54 2HB SER 54 -3.387 2.684 -13.411 382 HB3 SER 54 3HB SER 54 -3.218 4.430 -13.593 383 HG SER 54 HG SER 54 -2.172 2.538 -15.106 384 H CYS 55 HN CYS 55 -2.212 3.019 -9.750 385 HA CYS 55 HA CYS 55 -1.168 0.385 -9.685 386 HB2 CYS 55 2HB CYS 55 -1.810 0.339 -7.412 387 HB3 CYS 55 3HB CYS 55 -1.406 2.021 -7.737 388 H HIS 56 HN HIS 56 -2.465 -1.520 -8.934 389 HA HIS 56 HA HIS 56 -4.277 -2.359 -10.796 390 HB2 HIS 56 2HB HIS 56 -3.910 -3.165 -7.919 391 HB3 HIS 56 3HB HIS 56 -5.097 -3.958 -8.951 392 HD1 HIS 56 1HD HIS 56 -3.623 -4.413 -11.506 393 HD2 HIS 56 2HD HIS 56 -1.815 -4.862 -7.792 394 HE1 HIS 56 1HE HIS 56 -1.662 -5.938 -11.894 395 H TYR 57 HN TYR 57 -5.229 -1.377 -7.499 396 HA TYR 57 HA TYR 57 -7.979 -1.192 -8.126 397 HB2 TYR 57 2HB TYR 57 -6.338 -0.113 -5.836 398 HB3 TYR 57 3HB TYR 57 -8.082 0.102 -5.936 399 HD1 TYR 57 1HD TYR 57 -9.491 -1.519 -5.048 400 HD2 TYR 57 2HD TYR 57 -5.471 -2.560 -5.975 401 HE1 TYR 57 1HE TYR 57 -9.827 -3.721 -4.005 402 HE2 TYR 57 2HE TYR 57 -5.797 -4.765 -4.936 403 HH TYR 57 HH TYR 57 -8.934 -5.703 -3.559 404 H CYS 58 HN CYS 58 -6.317 1.593 -6.772 405 HA CYS 58 HA CYS 58 -6.270 3.793 -7.352 406 HB2 CYS 58 2HB CYS 58 -6.205 2.378 -9.923 407 HB3 CYS 58 3HB CYS 58 -6.843 4.015 -10.028 408 H ASP 59 HN ASP 59 -8.646 2.706 -9.754 409 HA ASP 59 HA ASP 59 -10.972 3.290 -8.356 410 HB2 ASP 59 2HB ASP 59 -11.539 5.508 -9.492 411 HB3 ASP 59 3HB ASP 59 -10.386 5.571 -8.161 412 H ASN 60 HN ASN 60 -10.242 1.353 -10.138 413 HA ASN 60 HA ASN 60 -12.390 1.353 -11.955 414 HB2 ASN 60 2HB ASN 60 -10.737 1.183 -14.019 415 HB3 ASN 60 3HB ASN 60 -11.368 2.738 -13.481 416 HD21 ASN 60 1HD2 ASN 60 -9.687 3.972 -14.164 417 HD22 ASN 60 2HD2 ASN 60 -8.095 3.876 -13.501 Start of MODEL 9 1 H1 GLU 1 HN GLU 1 3.327 4.936 4.411 2 HA GLU 1 HA GLU 1 1.656 3.304 2.623 3 HB2 GLU 1 2HB GLU 1 4.415 3.453 1.805 4 HB3 GLU 1 3HB GLU 1 2.970 3.956 0.939 5 HG2 GLU 1 2HG GLU 1 3.034 6.078 2.285 6 HG3 GLU 1 3HG GLU 1 4.624 5.572 2.855 7 H MET 2 HN MET 2 1.430 1.578 4.106 8 HA MET 2 HA MET 2 3.889 -0.004 4.471 9 HB2 MET 2 2HB MET 2 1.570 -0.407 6.297 10 HB3 MET 2 3HB MET 2 3.289 -0.602 6.609 11 HG2 MET 2 2HG MET 2 3.029 2.098 6.132 12 HG3 MET 2 3HG MET 2 1.566 1.691 7.026 13 HE1 MET 2 1HE MET 2 5.296 1.033 6.800 14 HE2 MET 2 2HE MET 2 5.382 2.630 7.542 15 HE3 MET 2 3HE MET 2 5.893 1.205 8.451 16 H CYS 3 HN CYS 3 3.828 -1.579 3.000 17 HA CYS 3 HA CYS 3 1.803 -2.577 1.534 18 HB2 CYS 3 2HB CYS 3 4.191 -3.270 1.359 19 HB3 CYS 3 3HB CYS 3 3.958 -4.309 2.761 20 H ASP 4 HN ASP 4 0.121 -3.975 1.725 21 HA ASP 4 HA ASP 4 -0.903 -4.471 4.348 22 HB2 ASP 4 2HB ASP 4 -2.207 -4.014 2.153 23 HB3 ASP 4 3HB ASP 4 -1.994 -5.736 1.849 24 H VAL 5 HN VAL 5 1.489 -5.973 2.748 25 HA VAL 5 HA VAL 5 0.877 -8.574 3.991 26 HB VAL 5 HB VAL 5 2.322 -8.094 1.383 27 HG11 VAL 5 1HG1 VAL 5 1.940 -10.608 2.996 28 HG12 VAL 5 2HG1 VAL 5 2.403 -10.604 1.293 29 HG13 VAL 5 3HG1 VAL 5 3.459 -9.863 2.498 30 HG21 VAL 5 1HG2 VAL 5 0.497 -9.450 0.431 31 HG22 VAL 5 2HG2 VAL 5 -0.277 -9.492 2.015 32 HG23 VAL 5 3HG2 VAL 5 -0.089 -7.958 1.166 33 H CYS 6 HN CYS 6 2.967 -5.933 3.777 34 HA CYS 6 HA CYS 6 5.000 -7.383 5.330 35 HB2 CYS 6 2HB CYS 6 5.646 -5.239 3.300 36 HB3 CYS 6 3HB CYS 6 6.787 -6.229 4.206 37 H GLU 7 HN GLU 7 3.404 -4.344 4.579 38 HA GLU 7 HA GLU 7 3.097 -2.433 5.774 39 HB2 GLU 7 2HB GLU 7 3.889 -3.690 8.341 40 HB3 GLU 7 3HB GLU 7 2.483 -2.707 7.955 41 HG2 GLU 7 2HG GLU 7 1.576 -4.683 6.701 42 HG3 GLU 7 3HG GLU 7 2.896 -5.627 7.387 43 H VAL 8 HN VAL 8 5.488 -2.475 4.567 44 HA VAL 8 HA VAL 8 7.127 -0.918 6.394 45 HB VAL 8 HB VAL 8 8.902 -2.621 4.902 46 HG11 VAL 8 1HG1 VAL 8 9.751 -1.447 6.740 47 HG12 VAL 8 2HG1 VAL 8 8.435 -1.966 7.795 48 HG13 VAL 8 3HG1 VAL 8 9.671 -3.120 7.292 49 HG21 VAL 8 1HG2 VAL 8 6.941 -4.185 5.124 50 HG22 VAL 8 2HG2 VAL 8 8.448 -4.756 5.841 51 HG23 VAL 8 3HG2 VAL 8 7.172 -4.105 6.871 52 H TRP 9 HN TRP 9 7.183 0.932 5.283 53 HA TRP 9 HA TRP 9 7.104 1.085 2.446 54 HB2 TRP 9 2HB TRP 9 6.353 3.090 3.145 55 HB3 TRP 9 3HB TRP 9 7.174 2.950 4.697 56 HD1 TRP 9 1HD TRP 9 9.741 3.847 4.802 57 HE1 TRP 9 1HE TRP 9 10.944 5.640 3.401 58 HE3 TRP 9 3HE TRP 9 6.493 4.116 0.862 59 HZ2 TRP 9 2HZ TRP 9 10.566 6.990 0.951 60 HZ3 TRP 9 3HZ TRP 9 6.986 5.684 -0.968 61 HH2 TRP 9 2HH TRP 9 8.981 7.091 -0.922 62 H THR 10 HN THR 10 8.735 1.890 1.027 63 HA THR 10 HA THR 10 11.474 1.331 1.967 64 HB THR 10 HB THR 10 11.785 1.010 -0.661 65 HG1 THR 10 1HG THR 10 9.066 0.309 -0.154 66 HG21 THR 10 1HG2 THR 10 12.481 -0.789 0.572 67 HG22 THR 10 2HG2 THR 10 11.036 -1.487 -0.160 68 HG23 THR 10 3HG2 THR 10 10.982 -0.876 1.494 69 H ALA 11 HN ALA 11 10.721 2.603 -1.187 70 HA ALA 11 HA ALA 11 10.700 5.290 -0.930 71 HB1 ALA 11 1HB ALA 11 13.319 5.658 -1.291 72 HB2 ALA 11 2HB ALA 11 12.562 5.683 0.302 73 HB3 ALA 11 3HB ALA 11 13.378 4.225 -0.264 74 H GLU 12 HN GLU 12 12.696 2.825 -2.535 75 HA GLU 12 HA GLU 12 13.330 3.886 -4.904 76 HB2 GLU 12 2HB GLU 12 11.910 1.253 -4.999 77 HB3 GLU 12 3HB GLU 12 13.382 1.754 -5.819 78 HG2 GLU 12 2HG GLU 12 14.479 1.797 -3.542 79 HG3 GLU 12 3HG GLU 12 13.041 0.973 -2.943 80 H SER 13 HN SER 13 10.115 2.484 -4.261 81 HA SER 13 HA SER 13 8.554 4.427 -5.370 82 HB2 SER 13 2HB SER 13 9.969 2.918 -7.429 83 HB3 SER 13 3HB SER 13 8.218 2.874 -7.642 84 HG SER 13 HG SER 13 9.411 5.330 -7.057 85 H LEU 14 HN LEU 14 7.588 3.330 -3.481 86 HA LEU 14 HA LEU 14 6.497 0.710 -3.749 87 HB2 LEU 14 2HB LEU 14 7.045 1.848 -1.590 88 HB3 LEU 14 3HB LEU 14 5.642 2.884 -1.847 89 HG LEU 14 HG LEU 14 4.142 1.062 -1.577 90 HD11 LEU 14 1HD1 LEU 14 4.952 -0.788 -2.636 91 HD12 LEU 14 2HD1 LEU 14 5.304 -1.227 -0.964 92 HD13 LEU 14 3HD1 LEU 14 6.582 -0.582 -1.994 93 HD21 LEU 14 1HD2 LEU 14 5.068 0.072 0.663 94 HD22 LEU 14 2HD2 LEU 14 4.632 1.777 0.549 95 HD23 LEU 14 3HD2 LEU 14 6.324 1.290 0.441 96 H PHE 15 HN PHE 15 4.730 0.102 -4.800 97 HA PHE 15 HA PHE 15 2.505 1.971 -5.102 98 HB2 PHE 15 2HB PHE 15 2.322 1.167 -7.542 99 HB3 PHE 15 3HB PHE 15 3.548 2.373 -7.166 100 HD1 PHE 15 1HD PHE 15 5.783 1.991 -7.686 101 HD2 PHE 15 2HD PHE 15 3.050 -1.272 -7.650 102 HE1 PHE 15 1HE PHE 15 7.514 0.535 -8.655 103 HE2 PHE 15 2HE PHE 15 4.776 -2.733 -8.617 104 HZ PHE 15 HZ PHE 15 7.012 -1.831 -9.120 105 HA PRO 16 HA PRO 16 0.632 1.820 -6.556 106 HB2 PRO 16 2HB PRO 16 -1.867 1.850 -5.496 107 HB3 PRO 16 3HB PRO 16 -1.447 0.919 -6.939 108 HG2 PRO 16 2HG PRO 16 -1.715 -0.001 -4.103 109 HG3 PRO 16 3HG PRO 16 -2.284 -0.781 -5.591 110 HD2 PRO 16 2HD PRO 16 -0.022 -1.550 -4.317 111 HD3 PRO 16 3HD PRO 16 -0.207 -1.650 -6.080 112 H CYS 17 HN CYS 17 -0.716 3.715 -5.436 113 HA CYS 17 HA CYS 17 0.893 4.860 -3.504 114 HB2 CYS 17 2HB CYS 17 -2.029 5.526 -3.607 115 HB3 CYS 17 3HB CYS 17 -0.650 6.602 -3.406 116 H ARG 18 HN ARG 18 -0.499 5.772 -1.394 117 HA ARG 18 HA ARG 18 -1.084 3.320 0.129 118 HB2 ARG 18 2HB ARG 18 -0.035 4.207 1.969 119 HB3 ARG 18 3HB ARG 18 0.906 4.959 0.688 120 HG2 ARG 18 2HG ARG 18 -1.406 6.252 2.120 121 HG3 ARG 18 3HG ARG 18 0.299 6.526 2.482 122 HD2 ARG 18 2HD ARG 18 -1.062 7.095 -0.150 123 HD3 ARG 18 3HD ARG 18 -0.624 8.297 1.064 124 HE ARG 18 HE ARG 18 1.711 6.985 0.475 125 HH11 ARG 18 1HH1 ARG 18 -0.670 8.784 -1.319 126 HH12 ARG 18 2HH1 ARG 18 0.463 9.355 -2.501 127 HH21 ARG 18 1HH2 ARG 18 3.211 7.730 -1.074 128 HH22 ARG 18 2HH2 ARG 18 2.669 8.754 -2.360 129 H VAL 19 HN VAL 19 -2.639 5.747 -1.356 130 HA VAL 19 HA VAL 19 -4.621 6.184 0.760 131 HB VAL 19 HB VAL 19 -5.507 7.658 -1.366 132 HG11 VAL 19 1HG1 VAL 19 -3.598 8.442 0.831 133 HG12 VAL 19 2HG1 VAL 19 -4.481 9.590 -0.178 134 HG13 VAL 19 3HG1 VAL 19 -5.359 8.486 0.881 135 HG21 VAL 19 1HG2 VAL 19 -3.688 8.721 -2.452 136 HG22 VAL 19 2HG2 VAL 19 -2.511 7.942 -1.396 137 HG23 VAL 19 3HG2 VAL 19 -3.401 6.986 -2.581 138 H CYS 20 HN CYS 20 -4.720 5.632 -2.766 139 HA CYS 20 HA CYS 20 -7.239 4.938 -3.236 140 HB2 CYS 20 2HB CYS 20 -6.051 2.861 -4.552 141 HB3 CYS 20 3HB CYS 20 -6.111 4.518 -5.146 142 H THR 21 HN THR 21 -4.975 2.966 -1.416 143 HA THR 21 HA THR 21 -6.775 1.726 0.218 144 HB THR 21 HB THR 21 -6.567 -0.644 -1.085 145 HG1 THR 21 1HG THR 21 -7.410 0.958 -3.201 146 HG21 THR 21 1HG2 THR 21 -8.704 -0.384 -0.456 147 HG22 THR 21 2HG2 THR 21 -8.955 0.322 -2.053 148 HG23 THR 21 3HG2 THR 21 -8.641 1.366 -0.667 149 H ARG 22 HN ARG 22 -4.028 2.610 0.061 150 HA ARG 22 HA ARG 22 -2.140 2.038 1.246 151 HB2 ARG 22 2HB ARG 22 -2.969 -0.851 1.245 152 HB3 ARG 22 3HB ARG 22 -1.945 0.001 2.394 153 HG2 ARG 22 2HG ARG 22 -3.680 0.600 3.656 154 HG3 ARG 22 3HG ARG 22 -4.641 1.087 2.258 155 HD2 ARG 22 2HD ARG 22 -4.668 -1.599 1.967 156 HD3 ARG 22 3HD ARG 22 -4.572 -1.469 3.723 157 HE ARG 22 HE ARG 22 -6.563 0.274 2.872 158 HH11 ARG 22 1HH1 ARG 22 -5.932 -3.150 2.884 159 HH12 ARG 22 2HH1 ARG 22 -7.606 -3.590 2.956 160 HH21 ARG 22 1HH2 ARG 22 -8.770 -0.293 2.968 161 HH22 ARG 22 2HH2 ARG 22 -9.219 -1.964 3.004 162 H VAL 23 HN VAL 23 -0.302 0.175 0.962 163 HA VAL 23 HA VAL 23 0.149 0.071 -1.940 164 HB VAL 23 HB VAL 23 2.522 -0.130 -1.440 165 HG11 VAL 23 1HG1 VAL 23 2.519 2.095 0.137 166 HG12 VAL 23 2HG1 VAL 23 2.284 2.094 -1.612 167 HG13 VAL 23 3HG1 VAL 23 0.888 2.125 -0.534 168 HG21 VAL 23 1HG2 VAL 23 2.931 -1.218 0.498 169 HG22 VAL 23 2HG2 VAL 23 2.972 0.419 1.155 170 HG23 VAL 23 3HG2 VAL 23 1.507 -0.552 1.298 171 H PHE 24 HN PHE 24 1.163 -1.808 -2.857 172 HA PHE 24 HA PHE 24 1.145 -4.254 -1.289 173 HB2 PHE 24 2HB PHE 24 -0.303 -4.539 -3.847 174 HB3 PHE 24 3HB PHE 24 -0.603 -5.303 -2.289 175 HD1 PHE 24 1HD PHE 24 -1.722 -2.886 -4.605 176 HD2 PHE 24 2HD PHE 24 -1.611 -3.784 -0.446 177 HE1 PHE 24 1HE PHE 24 -3.616 -1.360 -4.229 178 HE2 PHE 24 2HE PHE 24 -3.504 -2.260 -0.063 179 HZ PHE 24 HZ PHE 24 -4.510 -1.046 -1.955 180 H HIS 25 HN HIS 25 3.088 -5.061 -1.698 181 HA HIS 25 HA HIS 25 4.698 -4.433 -3.892 182 HB2 HIS 25 2HB HIS 25 4.835 -6.909 -2.158 183 HB3 HIS 25 3HB HIS 25 6.135 -6.273 -3.162 184 HD2 HIS 25 2HD HIS 25 4.726 -3.251 -1.560 185 HE1 HIS 25 1HE HIS 25 7.554 -4.720 1.240 186 HE2 HIS 25 2HE HIS 25 6.049 -2.799 0.615 187 H ASP 26 HN ASP 26 4.871 -5.208 -5.906 188 HA ASP 26 HA ASP 26 2.868 -6.683 -7.122 189 HB2 ASP 26 2HB ASP 26 4.574 -7.048 -8.968 190 HB3 ASP 26 3HB ASP 26 4.289 -5.372 -8.503 191 H GLY 27 HN GLY 27 5.662 -7.772 -5.372 192 HA2 GLY 27 1HA GLY 27 5.519 -10.482 -6.372 193 HA3 GLY 27 2HA GLY 27 6.574 -9.892 -5.096 194 H CYS 28 HN CYS 28 4.573 -8.769 -3.428 195 HA CYS 28 HA CYS 28 3.891 -10.966 -1.857 196 HB2 CYS 28 2HB CYS 28 3.013 -8.107 -1.936 197 HB3 CYS 28 3HB CYS 28 2.153 -9.235 -0.894 198 H LEU 29 HN LEU 29 1.843 -9.063 -4.057 199 HA LEU 29 HA LEU 29 -0.490 -10.613 -3.656 200 HB2 LEU 29 2HB LEU 29 0.216 -8.988 -6.091 201 HB3 LEU 29 3HB LEU 29 -1.396 -9.453 -5.550 202 HG LEU 29 HG LEU 29 0.350 -7.692 -3.863 203 HD11 LEU 29 1HD1 LEU 29 -1.342 -5.952 -5.064 204 HD12 LEU 29 2HD1 LEU 29 -0.964 -7.035 -6.403 205 HD13 LEU 29 3HD1 LEU 29 0.335 -6.208 -5.545 206 HD21 LEU 29 1HD2 LEU 29 -1.691 -7.032 -2.860 207 HD22 LEU 29 2HD2 LEU 29 -1.740 -8.791 -2.980 208 HD23 LEU 29 3HD2 LEU 29 -2.646 -7.803 -4.128 209 H ARG 30 HN ARG 30 2.314 -11.023 -5.641 210 HA ARG 30 HA ARG 30 1.079 -12.968 -7.389 211 HB2 ARG 30 2HB ARG 30 2.801 -12.444 -8.704 212 HB3 ARG 30 3HB ARG 30 3.420 -11.381 -7.447 213 HG2 ARG 30 2HG ARG 30 4.600 -13.335 -6.462 214 HG3 ARG 30 3HG ARG 30 4.080 -14.287 -7.853 215 HD2 ARG 30 2HD ARG 30 5.321 -12.915 -9.354 216 HD3 ARG 30 3HD ARG 30 5.653 -11.733 -8.089 217 HE ARG 30 HE ARG 30 7.410 -13.023 -7.405 218 HH11 ARG 30 1HH1 ARG 30 5.294 -14.955 -9.384 219 HH12 ARG 30 2HH1 ARG 30 6.363 -16.319 -9.422 220 HH21 ARG 30 1HH2 ARG 30 8.823 -14.812 -7.447 221 HH22 ARG 30 2HH2 ARG 30 8.369 -16.237 -8.318 222 H ARG 31 HN ARG 31 2.882 -12.936 -4.425 223 HA ARG 31 HA ARG 31 3.462 -15.781 -4.539 224 HB2 ARG 31 2HB ARG 31 4.398 -13.506 -3.006 225 HB3 ARG 31 3HB ARG 31 3.998 -14.857 -1.954 226 HG2 ARG 31 2HG ARG 31 5.750 -15.179 -4.369 227 HG3 ARG 31 3HG ARG 31 6.386 -14.708 -2.791 228 HD2 ARG 31 2HD ARG 31 4.732 -16.900 -2.293 229 HD3 ARG 31 3HD ARG 31 5.614 -17.313 -3.763 230 HE ARG 31 HE ARG 31 7.405 -16.281 -1.854 231 HH11 ARG 31 1HH1 ARG 31 5.456 -19.096 -2.484 232 HH12 ARG 31 2HH1 ARG 31 6.499 -20.173 -1.615 233 HH21 ARG 31 1HH2 ARG 31 8.786 -17.689 -0.708 234 HH22 ARG 31 2HH2 ARG 31 8.392 -19.372 -0.605 235 H MET 32 HN MET 32 1.226 -13.580 -2.974 236 HA MET 32 HA MET 32 0.133 -15.620 -1.247 237 HB2 MET 32 2HB MET 32 -0.494 -12.737 -1.781 238 HB3 MET 32 3HB MET 32 -1.645 -13.739 -0.907 239 HG2 MET 32 2HG MET 32 0.297 -12.315 0.270 240 HG3 MET 32 3HG MET 32 -0.396 -13.785 0.952 241 HE1 MET 32 1HE MET 32 3.633 -12.889 -0.729 242 HE2 MET 32 2HE MET 32 2.272 -11.856 -0.294 243 HE3 MET 32 3HE MET 32 3.310 -12.525 0.966 244 H GLY 33 HN GLY 33 -0.016 -15.350 -4.426 245 HA2 GLY 33 1HA GLY 33 -1.443 -16.172 -6.026 246 HA3 GLY 33 2HA GLY 33 -2.322 -16.946 -4.716 247 H TYR 34 HN TYR 34 -2.117 -13.659 -4.152 248 HA TYR 34 HA TYR 34 -4.879 -13.234 -4.378 249 HB2 TYR 34 2HB TYR 34 -2.541 -11.353 -4.123 250 HB3 TYR 34 3HB TYR 34 -4.195 -10.761 -4.224 251 HD1 TYR 34 1HD TYR 34 -5.710 -12.604 -2.596 252 HD2 TYR 34 2HD TYR 34 -1.803 -11.047 -1.952 253 HE1 TYR 34 1HE TYR 34 -5.982 -12.940 -0.175 254 HE2 TYR 34 2HE TYR 34 -2.063 -11.381 0.471 255 HH TYR 34 HH TYR 34 -4.926 -11.842 1.966 256 H ILE 35 HN ILE 35 -2.390 -13.136 -6.728 257 HA ILE 35 HA ILE 35 -4.323 -12.192 -8.720 258 HB ILE 35 HB ILE 35 -2.701 -10.796 -9.827 259 HG12 ILE 35 2HG1 ILE 35 -0.666 -10.756 -7.745 260 HG13 ILE 35 3HG1 ILE 35 -0.818 -12.345 -8.485 261 HG21 ILE 35 1HG2 ILE 35 -2.466 -9.015 -8.186 262 HG22 ILE 35 2HG2 ILE 35 -4.046 -9.784 -8.052 263 HG23 ILE 35 3HG2 ILE 35 -2.781 -10.159 -6.882 264 HD11 ILE 35 1HD1 ILE 35 -0.227 -11.551 -10.589 265 HD12 ILE 35 2HD1 ILE 35 -0.558 -9.874 -10.151 266 HD13 ILE 35 3HD1 ILE 35 0.854 -10.698 -9.487 267 H GLN 36 HN GLN 36 -3.052 -12.403 -11.002 268 HA GLN 36 HA GLN 36 -1.322 -14.672 -11.200 269 HB2 GLN 36 2HB GLN 36 -4.172 -15.106 -11.252 270 HB3 GLN 36 3HB GLN 36 -3.462 -15.538 -12.802 271 HG2 GLN 36 2HG GLN 36 -1.962 -16.532 -10.505 272 HG3 GLN 36 3HG GLN 36 -3.607 -17.157 -10.613 273 HE21 GLN 36 1HE2 GLN 36 -3.805 -18.951 -11.723 274 HE22 GLN 36 2HE2 GLN 36 -2.785 -19.474 -13.016 275 H GLY 37 HN GLY 37 -0.016 -13.412 -12.477 276 HA2 GLY 37 1HA GLY 37 0.144 -13.420 -15.067 277 HA3 GLY 37 2HA GLY 37 -1.183 -12.277 -14.924 278 H ASP 38 HN ASP 38 1.580 -11.986 -15.989 279 HA ASP 38 HA ASP 38 2.764 -10.079 -14.124 280 HB2 ASP 38 2HB ASP 38 4.583 -9.979 -15.904 281 HB3 ASP 38 3HB ASP 38 4.377 -11.525 -15.085 282 H SER 39 HN SER 39 1.492 -8.273 -14.183 283 HA SER 39 HA SER 39 0.392 -7.150 -16.528 284 HB2 SER 39 2HB SER 39 0.091 -6.706 -13.834 285 HB3 SER 39 3HB SER 39 0.945 -5.254 -14.353 286 HG SER 39 HG SER 39 -1.353 -6.242 -15.679 287 H ALA 40 HN ALA 40 1.359 -6.092 -18.116 288 HA ALA 40 HA ALA 40 4.092 -5.143 -17.762 289 HB1 ALA 40 1HB ALA 40 2.838 -4.778 -20.387 290 HB2 ALA 40 2HB ALA 40 4.380 -5.518 -19.955 291 HB3 ALA 40 3HB ALA 40 2.888 -6.449 -19.822 292 H ALA 41 HN ALA 41 4.181 -3.135 -19.671 293 HA ALA 41 HA ALA 41 3.670 -0.938 -20.106 294 HB1 ALA 41 1HB ALA 41 1.478 -0.772 -18.125 295 HB2 ALA 41 2HB ALA 41 1.573 -0.145 -19.771 296 HB3 ALA 41 3HB ALA 41 1.237 -1.855 -19.496 297 H GLU 42 HN GLU 42 5.132 0.423 -19.330 298 HA GLU 42 HA GLU 42 5.040 1.211 -16.533 299 HB2 GLU 42 2HB GLU 42 7.338 -0.237 -17.798 300 HB3 GLU 42 3HB GLU 42 7.649 0.962 -16.551 301 HG2 GLU 42 2HG GLU 42 6.160 -0.278 -15.029 302 HG3 GLU 42 3HG GLU 42 5.949 -1.506 -16.275 303 H VAL 43 HN VAL 43 4.392 3.231 -17.312 304 HA VAL 43 HA VAL 43 6.146 4.671 -19.131 305 HB VAL 43 HB VAL 43 3.634 5.644 -17.767 306 HG11 VAL 43 1HG1 VAL 43 4.105 6.915 -20.245 307 HG12 VAL 43 2HG1 VAL 43 4.144 7.625 -18.630 308 HG13 VAL 43 3HG1 VAL 43 5.617 6.961 -19.338 309 HG21 VAL 43 1HG2 VAL 43 4.080 4.112 -20.288 310 HG22 VAL 43 2HG2 VAL 43 2.816 3.930 -19.072 311 HG23 VAL 43 3HG2 VAL 43 2.762 5.282 -20.205 312 H THR 44 HN THR 44 4.881 5.084 -15.829 313 HA THR 44 HA THR 44 7.373 6.177 -14.921 314 HB THR 44 HB THR 44 6.318 8.159 -16.021 315 HG1 THR 44 1HG THR 44 6.474 8.416 -13.189 316 HG21 THR 44 1HG2 THR 44 3.976 7.628 -15.557 317 HG22 THR 44 2HG2 THR 44 4.399 9.219 -14.921 318 HG23 THR 44 3HG2 THR 44 4.264 7.839 -13.830 319 H GLU 45 HN GLU 45 7.615 5.895 -12.767 320 HA GLU 45 HA GLU 45 5.286 4.862 -11.301 321 HB2 GLU 45 2HB GLU 45 7.384 4.231 -9.713 322 HB3 GLU 45 3HB GLU 45 6.756 3.177 -10.973 323 HG2 GLU 45 2HG GLU 45 8.912 5.164 -11.566 324 HG3 GLU 45 3HG GLU 45 9.287 3.597 -10.852 325 H MET 46 HN MET 46 8.216 5.972 -9.763 326 HA MET 46 HA MET 46 8.611 7.556 -8.180 327 HB2 MET 46 2HB MET 46 6.541 9.054 -9.794 328 HB3 MET 46 3HB MET 46 7.521 9.778 -8.525 329 HG2 MET 46 2HG MET 46 9.462 8.716 -10.031 330 HG3 MET 46 3HG MET 46 8.245 8.999 -11.273 331 HE1 MET 46 1HE MET 46 10.359 12.196 -8.731 332 HE2 MET 46 2HE MET 46 9.374 10.934 -7.990 333 HE3 MET 46 3HE MET 46 10.841 10.504 -8.872 334 H ALA 47 HN ALA 47 7.857 6.409 -6.407 335 HA ALA 47 HA ALA 47 5.062 6.513 -5.672 336 HB1 ALA 47 1HB ALA 47 7.353 5.461 -4.024 337 HB2 ALA 47 2HB ALA 47 5.639 5.081 -3.860 338 HB3 ALA 47 3HB ALA 47 6.534 4.522 -5.272 339 H HIS 48 HN HIS 48 6.213 9.070 -5.878 340 HA HIS 48 HA HIS 48 5.883 9.984 -3.114 341 HB2 HIS 48 2HB HIS 48 8.369 9.921 -4.307 342 HB3 HIS 48 3HB HIS 48 7.836 11.571 -4.614 343 HD1 HIS 48 1HD HIS 48 9.940 10.093 -2.402 344 HD2 HIS 48 2HD HIS 48 6.509 12.359 -1.798 345 HE1 HIS 48 1HE HIS 48 10.137 11.002 -0.065 346 H THR 49 HN THR 49 4.026 9.959 -5.268 347 HA THR 49 HA THR 49 3.593 12.851 -5.551 348 HB THR 49 HB THR 49 2.634 12.415 -7.840 349 HG1 THR 49 1HG THR 49 3.896 10.353 -8.655 350 HG21 THR 49 1HG2 THR 49 5.563 12.023 -7.279 351 HG22 THR 49 2HG2 THR 49 4.730 13.491 -7.788 352 HG23 THR 49 3HG2 THR 49 4.932 12.155 -8.919 353 H GLU 50 HN GLU 50 1.483 13.524 -5.398 354 HA GLU 50 HA GLU 50 -0.316 12.012 -3.924 355 HB2 GLU 50 2HB GLU 50 -0.377 14.484 -4.149 356 HB3 GLU 50 3HB GLU 50 -0.981 14.295 -5.790 357 HG2 GLU 50 2HG GLU 50 -3.061 13.712 -5.112 358 HG3 GLU 50 3HG GLU 50 -2.485 12.934 -3.638 359 H THR 51 HN THR 51 -1.000 13.056 -7.257 360 HA THR 51 HA THR 51 -2.228 10.417 -7.731 361 HB THR 51 HB THR 51 -3.134 12.933 -9.113 362 HG1 THR 51 1HG THR 51 -3.842 13.500 -7.187 363 HG21 THR 51 1HG2 THR 51 -3.730 10.214 -9.424 364 HG22 THR 51 2HG2 THR 51 -4.582 11.583 -10.140 365 HG23 THR 51 3HG2 THR 51 -5.123 10.913 -8.601 366 H GLY 52 HN GLY 52 -0.715 9.375 -8.912 367 HA2 GLY 52 1HA GLY 52 -0.105 10.481 -11.544 368 HA3 GLY 52 2HA GLY 52 1.265 10.129 -10.502 369 H TRP 53 HN TRP 53 0.872 7.804 -9.397 370 HA TRP 53 HA TRP 53 1.062 5.962 -11.577 371 HB2 TRP 53 2HB TRP 53 2.488 5.633 -9.664 372 HB3 TRP 53 3HB TRP 53 1.100 5.561 -8.581 373 HD1 TRP 53 1HD TRP 53 0.313 3.201 -7.984 374 HE1 TRP 53 1HE TRP 53 0.644 0.843 -8.961 375 HE3 TRP 53 3HE TRP 53 2.907 4.434 -12.212 376 HZ2 TRP 53 2HZ TRP 53 1.846 -0.337 -11.227 377 HZ3 TRP 53 3HZ TRP 53 3.611 2.633 -13.732 378 HH2 TRP 53 2HH TRP 53 3.091 0.297 -13.247 379 H SER 54 HN SER 54 -0.282 4.223 -12.071 380 HA SER 54 HA SER 54 -3.077 4.655 -11.416 381 HB2 SER 54 2HB SER 54 -2.622 2.327 -13.057 382 HB3 SER 54 3HB SER 54 -3.440 3.834 -13.470 383 HG SER 54 HG SER 54 -1.234 4.692 -13.760 384 H CYS 55 HN CYS 55 -4.453 3.074 -10.537 385 HA CYS 55 HA CYS 55 -3.324 0.625 -9.483 386 HB2 CYS 55 2HB CYS 55 -4.686 2.336 -7.451 387 HB3 CYS 55 3HB CYS 55 -3.476 1.077 -7.226 388 H HIS 56 HN HIS 56 -4.904 -0.874 -8.783 389 HA HIS 56 HA HIS 56 -7.136 -1.207 -10.234 390 HB2 HIS 56 2HB HIS 56 -6.085 -2.612 -8.234 391 HB3 HIS 56 3HB HIS 56 -7.425 -1.893 -7.346 392 HD1 HIS 56 1HD HIS 56 -9.311 -2.041 -10.007 393 HD2 HIS 56 2HD HIS 56 -7.304 -5.142 -8.106 394 HE1 HIS 56 1HE HIS 56 -10.550 -4.134 -10.646 395 H TYR 57 HN TYR 57 -6.999 0.611 -7.189 396 HA TYR 57 HA TYR 57 -9.588 1.824 -7.906 397 HB2 TYR 57 2HB TYR 57 -8.913 1.890 -5.056 398 HB3 TYR 57 3HB TYR 57 -10.425 1.455 -5.846 399 HD1 TYR 57 1HD TYR 57 -6.991 0.087 -5.289 400 HD2 TYR 57 2HD TYR 57 -11.145 -0.736 -5.707 401 HE1 TYR 57 1HE TYR 57 -6.567 -2.282 -4.783 402 HE2 TYR 57 2HE TYR 57 -10.732 -3.107 -5.200 403 HH TYR 57 HH TYR 57 -9.037 -4.474 -4.041 404 H CYS 58 HN CYS 58 -7.422 3.011 -8.912 405 HA CYS 58 HA CYS 58 -6.580 5.119 -7.070 406 HB2 CYS 58 2HB CYS 58 -5.102 3.762 -8.827 407 HB3 CYS 58 3HB CYS 58 -5.647 5.049 -9.897 408 H ASP 59 HN ASP 59 -8.002 4.804 -10.318 409 HA ASP 59 HA ASP 59 -9.302 6.204 -11.555 410 HB2 ASP 59 2HB ASP 59 -10.737 5.833 -9.478 411 HB3 ASP 59 3HB ASP 59 -10.187 7.418 -8.940 412 H ASN 60 HN ASN 60 -8.181 7.624 -12.726 413 HA ASN 60 HA ASN 60 -6.901 9.896 -11.391 414 HB2 ASN 60 2HB ASN 60 -6.621 8.973 -14.260 415 HB3 ASN 60 3HB ASN 60 -5.643 10.193 -13.450 416 HD21 ASN 60 1HD2 ASN 60 -4.342 9.480 -11.625 417 HD22 ASN 60 2HD2 ASN 60 -3.698 7.876 -11.634 Start of MODEL 10 1 H1 GLU 1 HN GLU 1 1.140 4.606 5.067 2 HA GLU 1 HA GLU 1 -0.408 2.512 3.738 3 HB2 GLU 1 2HB GLU 1 1.306 4.750 2.854 4 HB3 GLU 1 3HB GLU 1 1.417 3.286 1.887 5 HG2 GLU 1 2HG GLU 1 -0.336 5.180 1.355 6 HG3 GLU 1 3HG GLU 1 -0.697 3.474 1.094 7 H MET 2 HN MET 2 0.395 0.747 4.974 8 HA MET 2 HA MET 2 3.182 0.022 4.342 9 HB2 MET 2 2HB MET 2 1.798 -1.332 6.590 10 HB3 MET 2 3HB MET 2 3.483 -0.852 6.429 11 HG2 MET 2 2HG MET 2 1.208 1.048 6.947 12 HG3 MET 2 3HG MET 2 2.253 0.369 8.192 13 HE1 MET 2 1HE MET 2 4.750 0.385 7.975 14 HE2 MET 2 2HE MET 2 5.676 1.811 7.506 15 HE3 MET 2 3HE MET 2 4.617 1.871 8.916 16 H CYS 3 HN CYS 3 3.376 -1.587 2.943 17 HA CYS 3 HA CYS 3 1.529 -2.957 1.601 18 HB2 CYS 3 2HB CYS 3 3.959 -3.207 1.240 19 HB3 CYS 3 3HB CYS 3 4.057 -4.227 2.672 20 H ASP 4 HN ASP 4 -0.182 -4.132 2.119 21 HA ASP 4 HA ASP 4 -0.708 -5.082 4.715 22 HB2 ASP 4 2HB ASP 4 -2.307 -4.567 2.687 23 HB3 ASP 4 3HB ASP 4 -2.073 -6.276 2.334 24 H VAL 5 HN VAL 5 1.372 -6.285 2.415 25 HA VAL 5 HA VAL 5 1.118 -9.048 3.402 26 HB VAL 5 HB VAL 5 2.540 -8.045 0.931 27 HG11 VAL 5 1HG1 VAL 5 2.520 -10.559 0.417 28 HG12 VAL 5 2HG1 VAL 5 3.699 -9.964 1.588 29 HG13 VAL 5 3HG1 VAL 5 2.232 -10.771 2.143 30 HG21 VAL 5 1HG2 VAL 5 0.702 -9.431 -0.189 31 HG22 VAL 5 2HG2 VAL 5 -0.136 -9.338 1.360 32 HG23 VAL 5 3HG2 VAL 5 0.249 -7.861 0.476 33 H CYS 6 HN CYS 6 2.825 -6.300 3.966 34 HA CYS 6 HA CYS 6 5.008 -7.796 5.187 35 HB2 CYS 6 2HB CYS 6 5.496 -5.465 3.321 36 HB3 CYS 6 3HB CYS 6 6.723 -6.299 4.268 37 H GLU 7 HN GLU 7 3.857 -4.478 4.557 38 HA GLU 7 HA GLU 7 3.192 -2.865 6.058 39 HB2 GLU 7 2HB GLU 7 4.237 -4.472 8.364 40 HB3 GLU 7 3HB GLU 7 2.920 -3.308 8.334 41 HG2 GLU 7 2HG GLU 7 2.126 -5.314 6.584 42 HG3 GLU 7 3HG GLU 7 2.867 -6.162 7.940 43 H VAL 8 HN VAL 8 5.087 -1.951 4.884 44 HA VAL 8 HA VAL 8 6.806 -0.617 6.662 45 HB VAL 8 HB VAL 8 8.853 -1.837 5.240 46 HG11 VAL 8 1HG1 VAL 8 8.121 -2.737 7.997 47 HG12 VAL 8 2HG1 VAL 8 9.708 -2.350 7.329 48 HG13 VAL 8 3HG1 VAL 8 8.567 -1.057 7.702 49 HG21 VAL 8 1HG2 VAL 8 7.305 -4.080 6.468 50 HG22 VAL 8 2HG2 VAL 8 7.001 -3.609 4.795 51 HG23 VAL 8 3HG2 VAL 8 8.611 -4.136 5.284 52 H TRP 9 HN TRP 9 6.265 1.199 5.521 53 HA TRP 9 HA TRP 9 6.624 1.302 2.650 54 HB2 TRP 9 2HB TRP 9 4.857 2.661 3.099 55 HB3 TRP 9 3HB TRP 9 5.424 3.035 4.724 56 HD1 TRP 9 1HD TRP 9 7.240 5.048 4.946 57 HE1 TRP 9 1HE TRP 9 7.659 7.095 3.445 58 HE3 TRP 9 3HE TRP 9 4.823 3.469 0.727 59 HZ2 TRP 9 2HZ TRP 9 7.047 7.932 0.820 60 HZ3 TRP 9 3HZ TRP 9 4.786 4.953 -1.235 61 HH2 TRP 9 2HH TRP 9 5.874 7.139 -1.187 62 H THR 10 HN THR 10 7.833 3.218 1.723 63 HA THR 10 HA THR 10 10.058 4.222 3.253 64 HB THR 10 HB THR 10 11.615 3.289 1.296 65 HG1 THR 10 1HG THR 10 9.348 1.693 1.282 66 HG21 THR 10 1HG2 THR 10 12.623 2.374 3.059 67 HG22 THR 10 2HG2 THR 10 11.366 1.142 3.182 68 HG23 THR 10 3HG2 THR 10 11.172 2.686 4.012 69 H ALA 11 HN ALA 11 10.018 3.580 -0.215 70 HA ALA 11 HA ALA 11 8.814 5.746 -1.293 71 HB1 ALA 11 1HB ALA 11 9.878 7.469 -0.287 72 HB2 ALA 11 2HB ALA 11 11.339 6.531 0.025 73 HB3 ALA 11 3HB ALA 11 11.046 7.199 -1.580 74 H GLU 12 HN GLU 12 11.454 3.543 -1.305 75 HA GLU 12 HA GLU 12 12.811 3.783 -3.586 76 HB2 GLU 12 2HB GLU 12 12.195 1.165 -3.856 77 HB3 GLU 12 3HB GLU 12 13.353 1.780 -2.685 78 HG2 GLU 12 2HG GLU 12 11.923 1.498 -0.912 79 HG3 GLU 12 3HG GLU 12 10.481 1.579 -1.923 80 H SER 13 HN SER 13 9.693 2.044 -3.604 81 HA SER 13 HA SER 13 8.628 3.427 -5.810 82 HB2 SER 13 2HB SER 13 10.498 2.199 -6.964 83 HB3 SER 13 3HB SER 13 9.699 0.690 -6.526 84 HG SER 13 HG SER 13 9.258 1.983 -8.669 85 H LEU 14 HN LEU 14 7.817 2.414 -3.254 86 HA LEU 14 HA LEU 14 6.295 0.088 -3.339 87 HB2 LEU 14 2HB LEU 14 6.848 1.438 -1.314 88 HB3 LEU 14 3HB LEU 14 5.617 2.597 -1.814 89 HG LEU 14 HG LEU 14 3.868 1.056 -1.404 90 HD11 LEU 14 1HD1 LEU 14 4.710 -0.952 -2.331 91 HD12 LEU 14 2HD1 LEU 14 4.388 -1.281 -0.629 92 HD13 LEU 14 3HD1 LEU 14 6.042 -1.009 -1.177 93 HD21 LEU 14 1HD2 LEU 14 5.037 0.134 0.976 94 HD22 LEU 14 2HD2 LEU 14 4.042 1.572 0.747 95 HD23 LEU 14 3HD2 LEU 14 5.797 1.686 0.620 96 H PHE 15 HN PHE 15 4.544 -0.460 -4.444 97 HA PHE 15 HA PHE 15 2.670 1.643 -5.279 98 HB2 PHE 15 2HB PHE 15 2.504 -0.184 -7.329 99 HB3 PHE 15 3HB PHE 15 3.379 1.341 -7.394 100 HD1 PHE 15 1HD PHE 15 4.051 -2.009 -5.888 101 HD2 PHE 15 2HD PHE 15 5.410 1.128 -8.423 102 HE1 PHE 15 1HE PHE 15 6.149 -3.235 -6.274 103 HE2 PHE 15 2HE PHE 15 7.510 -0.094 -8.815 104 HZ PHE 15 HZ PHE 15 7.881 -2.279 -7.740 105 HA PRO 16 HA PRO 16 0.837 1.454 -6.778 106 HB2 PRO 16 2HB PRO 16 -1.626 2.248 -5.958 107 HB3 PRO 16 3HB PRO 16 -1.373 0.892 -7.063 108 HG2 PRO 16 2HG PRO 16 -1.883 0.861 -4.114 109 HG3 PRO 16 3HG PRO 16 -2.566 -0.176 -5.379 110 HD2 PRO 16 2HD PRO 16 -0.535 -0.978 -3.778 111 HD3 PRO 16 3HD PRO 16 -0.698 -1.525 -5.458 112 H CYS 17 HN CYS 17 -0.138 3.802 -6.304 113 HA CYS 17 HA CYS 17 1.628 5.166 -4.721 114 HB2 CYS 17 2HB CYS 17 -1.181 6.188 -4.955 115 HB3 CYS 17 3HB CYS 17 0.338 7.071 -5.080 116 H ARG 18 HN ARG 18 0.859 6.649 -2.809 117 HA ARG 18 HA ARG 18 0.325 4.890 -0.619 118 HB2 ARG 18 2HB ARG 18 0.609 6.851 0.782 119 HB3 ARG 18 3HB ARG 18 1.871 6.807 -0.441 120 HG2 ARG 18 2HG ARG 18 1.263 9.019 -0.479 121 HG3 ARG 18 3HG ARG 18 0.257 8.358 -1.770 122 HD2 ARG 18 2HD ARG 18 -1.539 9.133 -0.723 123 HD3 ARG 18 3HD ARG 18 -1.194 8.045 0.620 124 HE ARG 18 HE ARG 18 0.316 10.485 0.716 125 HH11 ARG 18 1HH1 ARG 18 -2.718 8.974 1.518 126 HH12 ARG 18 2HH1 ARG 18 -3.077 10.081 2.802 127 HH21 ARG 18 1HH2 ARG 18 -0.148 11.948 2.403 128 HH22 ARG 18 2HH2 ARG 18 -1.617 11.773 3.303 129 H VAL 19 HN VAL 19 -1.461 7.493 -2.226 130 HA VAL 19 HA VAL 19 -3.666 7.599 -0.515 131 HB VAL 19 HB VAL 19 -3.710 9.346 -1.989 132 HG11 VAL 19 1HG1 VAL 19 -3.544 8.586 -4.602 133 HG12 VAL 19 2HG1 VAL 19 -2.187 9.146 -3.623 134 HG13 VAL 19 3HG1 VAL 19 -2.482 7.417 -3.817 135 HG21 VAL 19 1HG2 VAL 19 -5.385 7.699 -3.800 136 HG22 VAL 19 2HG2 VAL 19 -5.849 7.766 -2.100 137 HG23 VAL 19 3HG2 VAL 19 -5.728 9.254 -3.040 138 H CYS 20 HN CYS 20 -4.024 6.323 -3.797 139 HA CYS 20 HA CYS 20 -6.242 4.872 -3.597 140 HB2 CYS 20 2HB CYS 20 -4.986 3.088 -5.072 141 HB3 CYS 20 3HB CYS 20 -5.285 4.710 -5.690 142 H THR 21 HN THR 21 -6.704 4.012 -1.596 143 HA THR 21 HA THR 21 -6.561 2.615 0.226 144 HB THR 21 HB THR 21 -6.773 0.332 -0.321 145 HG1 THR 21 1HG THR 21 -5.573 0.768 -2.859 146 HG21 THR 21 1HG2 THR 21 -8.375 0.318 -2.044 147 HG22 THR 21 2HG2 THR 21 -7.583 1.639 -2.906 148 HG23 THR 21 3HG2 THR 21 -8.432 1.956 -1.394 149 H ARG 22 HN ARG 22 -4.995 0.141 0.316 150 HA ARG 22 HA ARG 22 -2.562 1.273 1.368 151 HB2 ARG 22 2HB ARG 22 -4.102 -0.922 2.009 152 HB3 ARG 22 3HB ARG 22 -2.703 -1.646 1.228 153 HG2 ARG 22 2HG ARG 22 -1.217 -0.567 2.791 154 HG3 ARG 22 3HG ARG 22 -2.571 0.293 3.527 155 HD2 ARG 22 2HD ARG 22 -3.532 -1.787 4.287 156 HD3 ARG 22 3HD ARG 22 -2.287 -2.707 3.445 157 HE ARG 22 HE ARG 22 -1.022 -0.966 5.223 158 HH11 ARG 22 1HH1 ARG 22 -3.119 -3.744 5.296 159 HH12 ARG 22 2HH1 ARG 22 -2.529 -4.312 6.822 160 HH21 ARG 22 1HH2 ARG 22 -0.237 -1.704 7.234 161 HH22 ARG 22 2HH2 ARG 22 -0.890 -3.150 7.924 162 H VAL 23 HN VAL 23 -0.580 -0.423 0.940 163 HA VAL 23 HA VAL 23 -0.136 -0.246 -1.960 164 HB VAL 23 HB VAL 23 2.256 -0.330 -1.460 165 HG11 VAL 23 1HG1 VAL 23 1.916 1.878 -1.489 166 HG12 VAL 23 2HG1 VAL 23 0.453 1.753 -0.510 167 HG13 VAL 23 3HG1 VAL 23 2.036 1.795 0.268 168 HG21 VAL 23 1HG2 VAL 23 2.788 0.039 1.078 169 HG22 VAL 23 2HG2 VAL 23 1.259 -0.808 1.311 170 HG23 VAL 23 3HG2 VAL 23 2.576 -1.590 0.438 171 H PHE 24 HN PHE 24 0.914 -1.961 -3.066 172 HA PHE 24 HA PHE 24 0.989 -4.544 -1.685 173 HB2 PHE 24 2HB PHE 24 -0.073 -4.700 -4.421 174 HB3 PHE 24 3HB PHE 24 -0.588 -5.540 -2.963 175 HD1 PHE 24 1HD PHE 24 -1.693 -3.837 -1.168 176 HD2 PHE 24 2HD PHE 24 -1.628 -3.340 -5.394 177 HE1 PHE 24 1HE PHE 24 -3.667 -2.377 -1.022 178 HE2 PHE 24 2HE PHE 24 -3.602 -1.878 -5.255 179 HZ PHE 24 HZ PHE 24 -4.623 -1.394 -3.068 180 H HIS 25 HN HIS 25 3.009 -5.226 -1.904 181 HA HIS 25 HA HIS 25 4.805 -4.314 -3.878 182 HB2 HIS 25 2HB HIS 25 4.953 -6.740 -2.077 183 HB3 HIS 25 3HB HIS 25 6.294 -6.127 -3.043 184 HD2 HIS 25 2HD HIS 25 4.565 -3.132 -1.603 185 HE1 HIS 25 1HE HIS 25 7.521 -4.211 1.243 186 HE2 HIS 25 2HE HIS 25 5.830 -2.475 0.555 187 H ASP 26 HN ASP 26 5.002 -4.877 -5.935 188 HA ASP 26 HA ASP 26 3.424 -6.440 -7.428 189 HB2 ASP 26 2HB ASP 26 6.159 -5.475 -7.695 190 HB3 ASP 26 3HB ASP 26 5.904 -6.986 -8.564 191 H GLY 27 HN GLY 27 6.264 -7.618 -5.654 192 HA2 GLY 27 1HA GLY 27 6.001 -10.318 -6.522 193 HA3 GLY 27 2HA GLY 27 6.966 -9.754 -5.164 194 H CYS 28 HN CYS 28 5.051 -8.651 -3.528 195 HA CYS 28 HA CYS 28 4.071 -10.868 -2.154 196 HB2 CYS 28 2HB CYS 28 3.345 -7.945 -2.050 197 HB3 CYS 28 3HB CYS 28 2.590 -9.130 -0.988 198 H LEU 29 HN LEU 29 2.570 -8.848 -4.602 199 HA LEU 29 HA LEU 29 -0.084 -9.664 -4.313 200 HB2 LEU 29 2HB LEU 29 1.457 -8.824 -6.760 201 HB3 LEU 29 3HB LEU 29 -0.287 -9.075 -6.744 202 HG LEU 29 HG LEU 29 1.124 -7.058 -5.005 203 HD11 LEU 29 1HD1 LEU 29 -0.476 -6.137 -7.292 204 HD12 LEU 29 2HD1 LEU 29 1.065 -6.890 -7.699 205 HD13 LEU 29 3HD1 LEU 29 1.022 -5.497 -6.619 206 HD21 LEU 29 1HD2 LEU 29 -1.719 -7.780 -5.558 207 HD22 LEU 29 2HD2 LEU 29 -1.304 -6.116 -5.148 208 HD23 LEU 29 3HD2 LEU 29 -0.928 -7.423 -4.023 209 H ARG 30 HN ARG 30 2.640 -11.224 -5.856 210 HA ARG 30 HA ARG 30 0.963 -13.300 -7.011 211 HB2 ARG 30 2HB ARG 30 3.978 -13.079 -6.980 212 HB3 ARG 30 3HB ARG 30 3.017 -14.171 -7.969 213 HG2 ARG 30 2HG ARG 30 2.253 -12.452 -9.343 214 HG3 ARG 30 3HG ARG 30 2.687 -11.202 -8.174 215 HD2 ARG 30 2HD ARG 30 4.946 -11.327 -8.688 216 HD3 ARG 30 3HD ARG 30 4.801 -12.948 -9.370 217 HE ARG 30 HE ARG 30 3.295 -11.191 -10.942 218 HH11 ARG 30 1HH1 ARG 30 6.617 -11.834 -10.123 219 HH12 ARG 30 2HH1 ARG 30 7.238 -11.254 -11.633 220 HH21 ARG 30 1HH2 ARG 30 4.101 -10.424 -12.933 221 HH22 ARG 30 2HH2 ARG 30 5.806 -10.452 -13.231 222 H ARG 31 HN ARG 31 3.234 -12.853 -4.366 223 HA ARG 31 HA ARG 31 3.743 -15.438 -3.593 224 HB2 ARG 31 2HB ARG 31 3.918 -12.850 -2.408 225 HB3 ARG 31 3HB ARG 31 3.215 -13.946 -1.226 226 HG2 ARG 31 2HG ARG 31 5.506 -14.066 -0.834 227 HG3 ARG 31 3HG ARG 31 5.157 -15.509 -1.788 228 HD2 ARG 31 2HD ARG 31 5.727 -13.892 -3.794 229 HD3 ARG 31 3HD ARG 31 6.625 -13.033 -2.544 230 HE ARG 31 HE ARG 31 7.352 -15.490 -3.785 231 HH11 ARG 31 1HH1 ARG 31 7.510 -13.729 -0.786 232 HH12 ARG 31 2HH1 ARG 31 8.943 -14.532 -0.239 233 HH21 ARG 31 1HH2 ARG 31 9.240 -16.554 -3.076 234 HH22 ARG 31 2HH2 ARG 31 9.928 -16.139 -1.542 235 H MET 32 HN MET 32 0.959 -13.440 -2.625 236 HA MET 32 HA MET 32 -0.330 -15.820 -1.512 237 HB2 MET 32 2HB MET 32 -1.908 -13.427 -1.266 238 HB3 MET 32 3HB MET 32 -1.218 -14.435 -0.001 239 HG2 MET 32 2HG MET 32 0.972 -13.195 -0.481 240 HG3 MET 32 3HG MET 32 -0.038 -12.034 -1.340 241 HE1 MET 32 1HE MET 32 0.684 -13.974 1.653 242 HE2 MET 32 2HE MET 32 0.855 -12.715 2.876 243 HE3 MET 32 3HE MET 32 -0.667 -13.596 2.723 244 H GLY 33 HN GLY 33 -0.092 -14.476 -4.444 245 HA2 GLY 33 1HA GLY 33 -1.326 -14.688 -6.369 246 HA3 GLY 33 2HA GLY 33 -2.359 -15.802 -5.488 247 H TYR 34 HN TYR 34 -1.860 -12.532 -4.391 248 HA TYR 34 HA TYR 34 -4.448 -11.854 -3.963 249 HB2 TYR 34 2HB TYR 34 -1.974 -10.438 -4.200 250 HB3 TYR 34 3HB TYR 34 -3.234 -9.505 -5.000 251 HD1 TYR 34 1HD TYR 34 -2.278 -11.091 -1.792 252 HD2 TYR 34 2HD TYR 34 -4.857 -8.329 -3.745 253 HE1 TYR 34 1HE TYR 34 -3.047 -10.271 0.397 254 HE2 TYR 34 2HE TYR 34 -5.632 -7.499 -1.563 255 HH TYR 34 HH TYR 34 -5.465 -8.986 1.133 256 H ILE 35 HN ILE 35 -2.707 -10.845 -6.911 257 HA ILE 35 HA ILE 35 -4.821 -9.836 -8.337 258 HB ILE 35 HB ILE 35 -3.579 -10.412 -10.396 259 HG12 ILE 35 2HG1 ILE 35 -2.345 -12.339 -8.582 260 HG13 ILE 35 3HG1 ILE 35 -2.405 -12.331 -10.342 261 HG21 ILE 35 1HG2 ILE 35 -1.701 -9.424 -8.263 262 HG22 ILE 35 2HG2 ILE 35 -1.715 -9.004 -9.976 263 HG23 ILE 35 3HG2 ILE 35 -3.016 -8.452 -8.922 264 HD11 ILE 35 1HD1 ILE 35 -0.129 -12.258 -9.722 265 HD12 ILE 35 2HD1 ILE 35 -0.551 -10.641 -10.287 266 HD13 ILE 35 3HD1 ILE 35 -0.416 -10.963 -8.558 267 H GLN 36 HN GLN 36 -6.483 -10.622 -9.519 268 HA GLN 36 HA GLN 36 -6.780 -13.551 -9.633 269 HB2 GLN 36 2HB GLN 36 -8.892 -11.421 -9.282 270 HB3 GLN 36 3HB GLN 36 -9.252 -13.112 -9.604 271 HG2 GLN 36 2HG GLN 36 -8.695 -13.779 -7.512 272 HG3 GLN 36 3HG GLN 36 -7.478 -12.520 -7.312 273 HE21 GLN 36 1HE2 GLN 36 -10.730 -13.438 -6.802 274 HE22 GLN 36 2HE2 GLN 36 -11.251 -12.000 -5.999 275 H GLY 37 HN GLY 37 -8.447 -10.798 -11.166 276 HA2 GLY 37 1HA GLY 37 -8.785 -12.162 -13.629 277 HA3 GLY 37 2HA GLY 37 -9.043 -10.445 -13.357 278 H ASP 38 HN ASP 38 -8.114 -9.847 -15.316 279 HA ASP 38 HA ASP 38 -5.200 -9.819 -15.283 280 HB2 ASP 38 2HB ASP 38 -5.411 -11.685 -16.670 281 HB3 ASP 38 3HB ASP 38 -6.877 -11.074 -17.433 282 H SER 39 HN SER 39 -4.439 -7.875 -15.814 283 HA SER 39 HA SER 39 -6.141 -6.088 -17.417 284 HB2 SER 39 2HB SER 39 -4.450 -5.029 -15.168 285 HB3 SER 39 3HB SER 39 -5.838 -4.281 -15.958 286 HG SER 39 HG SER 39 -7.191 -5.622 -14.865 287 H ALA 40 HN ALA 40 -4.792 -4.081 -18.095 288 HA ALA 40 HA ALA 40 -2.126 -5.009 -18.946 289 HB1 ALA 40 1HB ALA 40 -2.598 -3.362 -20.915 290 HB2 ALA 40 2HB ALA 40 -3.280 -4.989 -20.940 291 HB3 ALA 40 3HB ALA 40 -4.286 -3.619 -20.468 292 H ALA 41 HN ALA 41 -0.469 -3.788 -18.328 293 HA ALA 41 HA ALA 41 -0.725 -0.921 -18.063 294 HB1 ALA 41 1HB ALA 41 -1.493 -1.413 -15.898 295 HB2 ALA 41 2HB ALA 41 -0.297 -2.690 -15.674 296 HB3 ALA 41 3HB ALA 41 0.210 -1.002 -15.700 297 H GLU 42 HN GLU 42 1.631 -2.569 -16.151 298 HA GLU 42 HA GLU 42 3.927 -2.321 -16.243 299 HB2 GLU 42 2HB GLU 42 2.917 -4.263 -18.052 300 HB3 GLU 42 3HB GLU 42 4.295 -3.493 -18.826 301 HG2 GLU 42 2HG GLU 42 5.662 -3.986 -16.848 302 HG3 GLU 42 3HG GLU 42 4.281 -4.802 -16.116 303 H VAL 43 HN VAL 43 4.152 -0.064 -16.436 304 HA VAL 43 HA VAL 43 4.967 0.814 -19.126 305 HB VAL 43 HB VAL 43 3.343 2.380 -17.121 306 HG11 VAL 43 1HG1 VAL 43 5.041 3.273 -19.391 307 HG12 VAL 43 2HG1 VAL 43 3.496 4.087 -19.136 308 HG13 VAL 43 3HG1 VAL 43 4.705 4.062 -17.851 309 HG21 VAL 43 1HG2 VAL 43 2.103 0.836 -18.594 310 HG22 VAL 43 2HG2 VAL 43 1.707 2.528 -18.899 311 HG23 VAL 43 3HG2 VAL 43 2.781 1.662 -19.998 312 H THR 44 HN THR 44 5.262 1.268 -15.635 313 HA THR 44 HA THR 44 8.067 1.600 -15.749 314 HB THR 44 HB THR 44 7.680 3.802 -16.592 315 HG1 THR 44 1HG THR 44 9.217 3.604 -14.845 316 HG21 THR 44 1HG2 THR 44 5.247 3.721 -15.498 317 HG22 THR 44 2HG2 THR 44 6.033 5.237 -15.940 318 HG23 THR 44 3HG2 THR 44 6.062 4.685 -14.267 319 H GLU 45 HN GLU 45 5.163 2.489 -13.902 320 HA GLU 45 HA GLU 45 4.556 2.059 -11.750 321 HB2 GLU 45 2HB GLU 45 6.941 0.346 -11.242 322 HB3 GLU 45 3HB GLU 45 5.270 0.116 -10.746 323 HG2 GLU 45 2HG GLU 45 5.130 -1.400 -12.353 324 HG3 GLU 45 3HG GLU 45 5.155 -0.057 -13.495 325 H MET 46 HN MET 46 4.800 3.885 -10.620 326 HA MET 46 HA MET 46 7.480 4.491 -9.553 327 HB2 MET 46 2HB MET 46 5.416 6.240 -10.777 328 HB3 MET 46 3HB MET 46 6.294 6.891 -9.401 329 HG2 MET 46 2HG MET 46 8.057 5.644 -11.333 330 HG3 MET 46 3HG MET 46 7.093 6.939 -12.039 331 HE1 MET 46 1HE MET 46 7.984 9.975 -11.002 332 HE2 MET 46 2HE MET 46 6.569 8.948 -10.770 333 HE3 MET 46 3HE MET 46 7.441 9.577 -9.371 334 H ALA 47 HN ALA 47 4.600 6.242 -8.679 335 HA ALA 47 HA ALA 47 3.530 4.902 -6.585 336 HB1 ALA 47 1HB ALA 47 6.196 6.003 -5.863 337 HB2 ALA 47 2HB ALA 47 4.906 6.072 -4.663 338 HB3 ALA 47 3HB ALA 47 5.403 4.519 -5.334 339 H HIS 48 HN HIS 48 5.055 7.874 -5.612 340 HA HIS 48 HA HIS 48 2.620 9.192 -5.143 341 HB2 HIS 48 2HB HIS 48 5.127 9.633 -4.322 342 HB3 HIS 48 3HB HIS 48 5.062 10.825 -5.618 343 HD1 HIS 48 1HD HIS 48 1.778 10.998 -4.690 344 HD2 HIS 48 2HD HIS 48 5.260 12.059 -2.688 345 HE1 HIS 48 1HE HIS 48 1.072 12.677 -2.955 346 H THR 49 HN THR 49 3.233 11.801 -6.212 347 HA THR 49 HA THR 49 3.066 13.074 -8.121 348 HB THR 49 HB THR 49 2.808 10.750 -9.958 349 HG1 THR 49 1HG THR 49 4.576 9.872 -9.208 350 HG21 THR 49 1HG2 THR 49 4.706 12.340 -10.994 351 HG22 THR 49 2HG2 THR 49 3.868 13.514 -9.979 352 HG23 THR 49 3HG2 THR 49 2.983 12.631 -11.222 353 H GLU 50 HN GLU 50 1.447 13.354 -10.002 354 HA GLU 50 HA GLU 50 -1.175 12.954 -8.913 355 HB2 GLU 50 2HB GLU 50 -0.101 14.286 -11.381 356 HB3 GLU 50 3HB GLU 50 -1.828 14.033 -11.181 357 HG2 GLU 50 2HG GLU 50 -1.617 16.136 -10.332 358 HG3 GLU 50 3HG GLU 50 -1.417 15.181 -8.865 359 H THR 51 HN THR 51 -2.139 11.040 -9.050 360 HA THR 51 HA THR 51 -2.741 8.965 -9.816 361 HB THR 51 HB THR 51 -3.451 9.218 -12.402 362 HG1 THR 51 1HG THR 51 -4.241 11.695 -11.995 363 HG21 THR 51 1HG2 THR 51 -4.972 8.713 -10.569 364 HG22 THR 51 2HG2 THR 51 -5.651 9.976 -11.594 365 HG23 THR 51 3HG2 THR 51 -4.924 10.394 -10.043 366 H GLY 52 HN GLY 52 -1.707 9.855 -13.033 367 HA2 GLY 52 1HA GLY 52 -0.125 8.962 -14.435 368 HA3 GLY 52 2HA GLY 52 0.888 8.795 -13.007 369 H TRP 53 HN TRP 53 0.516 6.864 -11.654 370 HA TRP 53 HA TRP 53 0.241 4.538 -13.355 371 HB2 TRP 53 2HB TRP 53 1.994 4.976 -11.454 372 HB3 TRP 53 3HB TRP 53 0.716 4.375 -10.402 373 HD1 TRP 53 1HD TRP 53 2.534 3.173 -13.624 374 HE1 TRP 53 1HE TRP 53 2.837 0.623 -13.451 375 HE3 TRP 53 3HE TRP 53 0.165 2.378 -9.165 376 HZ2 TRP 53 2HZ TRP 53 2.159 -1.451 -11.660 377 HZ3 TRP 53 3HZ TRP 53 0.035 0.082 -8.291 378 HH2 TRP 53 2HH TRP 53 1.011 -1.792 -9.515 379 H SER 54 HN SER 54 -1.415 3.131 -13.383 380 HA SER 54 HA SER 54 -3.854 3.860 -12.046 381 HB2 SER 54 2HB SER 54 -4.055 1.278 -13.256 382 HB3 SER 54 3HB SER 54 -4.754 2.802 -13.802 383 HG SER 54 HG SER 54 -3.407 2.030 -15.406 384 H CYS 55 HN CYS 55 -5.040 2.575 -10.585 385 HA CYS 55 HA CYS 55 -3.807 0.239 -9.408 386 HB2 CYS 55 2HB CYS 55 -4.462 2.420 -7.470 387 HB3 CYS 55 3HB CYS 55 -3.349 1.066 -7.296 388 H HIS 56 HN HIS 56 -5.209 -0.809 -7.821 389 HA HIS 56 HA HIS 56 -7.705 -1.360 -8.573 390 HB2 HIS 56 2HB HIS 56 -6.644 -1.111 -5.765 391 HB3 HIS 56 3HB HIS 56 -8.264 -1.715 -6.095 392 HD1 HIS 56 1HD HIS 56 -5.685 -3.293 -4.903 393 HD2 HIS 56 2HD HIS 56 -7.347 -3.622 -8.696 394 HE1 HIS 56 1HE HIS 56 -4.992 -5.558 -5.746 395 H TYR 57 HN TYR 57 -6.995 1.235 -6.234 396 HA TYR 57 HA TYR 57 -9.533 2.505 -7.030 397 HB2 TYR 57 2HB TYR 57 -8.303 2.868 -4.310 398 HB3 TYR 57 3HB TYR 57 -9.960 3.176 -4.818 399 HD1 TYR 57 1HD TYR 57 -11.549 1.688 -4.074 400 HD2 TYR 57 2HD TYR 57 -7.577 0.291 -4.687 401 HE1 TYR 57 1HE TYR 57 -12.214 -0.538 -3.267 402 HE2 TYR 57 2HE TYR 57 -8.231 -1.939 -3.883 403 HH TYR 57 HH TYR 57 -10.201 -3.293 -3.609 404 H CYS 58 HN CYS 58 -7.374 3.123 -8.493 405 HA CYS 58 HA CYS 58 -6.084 5.481 -7.385 406 HB2 CYS 58 2HB CYS 58 -5.088 3.608 -8.991 407 HB3 CYS 58 3HB CYS 58 -5.727 4.677 -10.235 408 H ASP 59 HN ASP 59 -7.677 4.853 -10.513 409 HA ASP 59 HA ASP 59 -9.534 6.986 -10.233 410 HB2 ASP 59 2HB ASP 59 -7.529 8.355 -10.568 411 HB3 ASP 59 3HB ASP 59 -7.167 7.479 -12.053 412 H ASN 60 HN ASN 60 -10.444 4.742 -10.807 413 HA ASN 60 HA ASN 60 -10.646 4.535 -13.741 414 HB2 ASN 60 2HB ASN 60 -10.668 2.373 -11.637 415 HB3 ASN 60 3HB ASN 60 -11.260 2.101 -13.274 416 HD21 ASN 60 1HD2 ASN 60 -8.455 3.713 -11.806 417 HD22 ASN 60 2HD2 ASN 60 -7.275 2.931 -12.798 Start of MODEL 11 1 H1 GLU 1 HN GLU 1 3.829 4.432 6.546 2 HA GLU 1 HA GLU 1 1.516 2.935 5.585 3 HB2 GLU 1 2HB GLU 1 3.313 4.316 3.604 4 HB3 GLU 1 3HB GLU 1 1.761 3.542 3.315 5 HG2 GLU 1 2HG GLU 1 1.053 5.678 3.286 6 HG3 GLU 1 3HG GLU 1 0.970 5.425 5.029 7 H MET 2 HN MET 2 2.058 0.866 5.482 8 HA MET 2 HA MET 2 4.678 0.092 4.474 9 HB2 MET 2 2HB MET 2 3.753 -1.233 6.991 10 HB3 MET 2 3HB MET 2 5.378 -1.105 6.332 11 HG2 MET 2 2HG MET 2 5.203 1.386 6.834 12 HG3 MET 2 3HG MET 2 3.792 0.967 7.803 13 HE1 MET 2 1HE MET 2 8.131 0.683 8.880 14 HE2 MET 2 2HE MET 2 7.733 -0.313 7.480 15 HE3 MET 2 3HE MET 2 7.356 1.410 7.472 16 H CYS 3 HN CYS 3 4.438 -1.500 3.055 17 HA CYS 3 HA CYS 3 2.210 -2.600 2.097 18 HB2 CYS 3 2HB CYS 3 4.479 -3.079 1.232 19 HB3 CYS 3 3HB CYS 3 4.739 -4.193 2.571 20 H ASP 4 HN ASP 4 0.529 -3.645 2.909 21 HA ASP 4 HA ASP 4 0.485 -4.694 5.537 22 HB2 ASP 4 2HB ASP 4 -1.457 -3.804 4.024 23 HB3 ASP 4 3HB ASP 4 -1.544 -5.475 3.475 24 H VAL 5 HN VAL 5 1.877 -5.934 2.822 25 HA VAL 5 HA VAL 5 1.454 -8.720 3.686 26 HB VAL 5 HB VAL 5 2.323 -7.706 0.975 27 HG11 VAL 5 1HG1 VAL 5 1.858 -10.173 0.394 28 HG12 VAL 5 2HG1 VAL 5 3.378 -9.769 1.195 29 HG13 VAL 5 3HG1 VAL 5 2.045 -10.460 2.124 30 HG21 VAL 5 1HG2 VAL 5 0.057 -7.271 1.022 31 HG22 VAL 5 2HG2 VAL 5 0.088 -8.915 0.385 32 HG23 VAL 5 3HG2 VAL 5 -0.291 -8.636 2.084 33 H CYS 6 HN CYS 6 3.584 -6.265 3.975 34 HA CYS 6 HA CYS 6 5.785 -8.091 4.509 35 HB2 CYS 6 2HB CYS 6 6.084 -5.711 2.664 36 HB3 CYS 6 3HB CYS 6 7.406 -6.710 3.262 37 H GLU 7 HN GLU 7 4.826 -4.663 4.408 38 HA GLU 7 HA GLU 7 4.763 -3.131 6.127 39 HB2 GLU 7 2HB GLU 7 6.338 -4.943 7.920 40 HB3 GLU 7 3HB GLU 7 5.139 -3.729 8.346 41 HG2 GLU 7 2HG GLU 7 3.775 -5.605 6.794 42 HG3 GLU 7 3HG GLU 7 4.807 -6.541 7.873 43 H VAL 8 HN VAL 8 6.264 -2.194 4.514 44 HA VAL 8 HA VAL 8 8.649 -1.291 5.799 45 HB VAL 8 HB VAL 8 9.753 -2.167 3.377 46 HG11 VAL 8 1HG1 VAL 8 11.256 -3.425 4.807 47 HG12 VAL 8 2HG1 VAL 8 10.901 -1.856 5.531 48 HG13 VAL 8 3HG1 VAL 8 10.113 -3.310 6.145 49 HG21 VAL 8 1HG2 VAL 8 9.436 -4.539 3.337 50 HG22 VAL 8 2HG2 VAL 8 8.438 -4.483 4.790 51 HG23 VAL 8 3HG2 VAL 8 7.845 -3.778 3.286 52 H TRP 9 HN TRP 9 9.015 0.736 5.168 53 HA TRP 9 HA TRP 9 8.299 1.558 2.454 54 HB2 TRP 9 2HB TRP 9 6.335 2.269 3.479 55 HB3 TRP 9 3HB TRP 9 7.146 2.654 4.994 56 HD1 TRP 9 1HD TRP 9 7.387 5.158 5.415 57 HE1 TRP 9 1HE TRP 9 7.487 7.279 3.960 58 HE3 TRP 9 3HE TRP 9 7.198 2.983 0.792 59 HZ2 TRP 9 2HZ TRP 9 7.486 7.943 1.216 60 HZ3 TRP 9 3HZ TRP 9 7.252 4.432 -1.197 61 HH2 TRP 9 2HH TRP 9 7.392 6.861 -0.986 62 H THR 10 HN THR 10 9.299 3.550 1.785 63 HA THR 10 HA THR 10 11.381 4.639 3.506 64 HB THR 10 HB THR 10 12.621 4.295 0.976 65 HG1 THR 10 1HG THR 10 12.373 2.200 0.534 66 HG21 THR 10 1HG2 THR 10 14.344 3.248 2.249 67 HG22 THR 10 2HG2 THR 10 13.216 2.814 3.534 68 HG23 THR 10 3HG2 THR 10 13.645 4.504 3.268 69 H ALA 11 HN ALA 11 11.047 4.773 -0.015 70 HA ALA 11 HA ALA 11 9.556 7.121 -0.213 71 HB1 ALA 11 1HB ALA 11 12.189 8.109 -0.877 72 HB2 ALA 11 2HB ALA 11 10.941 8.825 0.144 73 HB3 ALA 11 3HB ALA 11 12.078 7.662 0.825 74 H GLU 12 HN GLU 12 12.040 5.038 -1.493 75 HA GLU 12 HA GLU 12 12.418 5.769 -4.054 76 HB2 GLU 12 2HB GLU 12 11.632 2.938 -3.377 77 HB3 GLU 12 3HB GLU 12 12.730 3.480 -4.637 78 HG2 GLU 12 2HG GLU 12 14.130 4.423 -2.679 79 HG3 GLU 12 3HG GLU 12 13.176 3.320 -1.690 80 H SER 13 HN SER 13 9.794 3.474 -3.318 81 HA SER 13 HA SER 13 7.696 4.881 -4.463 82 HB2 SER 13 2HB SER 13 9.442 4.235 -6.466 83 HB3 SER 13 3HB SER 13 8.338 2.860 -6.509 84 HG SER 13 HG SER 13 7.115 4.170 -7.607 85 H LEU 14 HN LEU 14 6.262 3.952 -3.142 86 HA LEU 14 HA LEU 14 6.273 1.058 -2.773 87 HB2 LEU 14 2HB LEU 14 5.618 3.279 -1.153 88 HB3 LEU 14 3HB LEU 14 4.138 2.352 -1.386 89 HG LEU 14 HG LEU 14 6.731 1.327 -0.233 90 HD11 LEU 14 1HD1 LEU 14 5.675 1.311 1.850 91 HD12 LEU 14 2HD1 LEU 14 4.075 1.535 1.144 92 HD13 LEU 14 3HD1 LEU 14 5.230 2.867 1.148 93 HD21 LEU 14 1HD2 LEU 14 4.099 -0.099 -0.594 94 HD22 LEU 14 2HD2 LEU 14 5.558 -0.754 0.148 95 HD23 LEU 14 3HD2 LEU 14 5.540 -0.367 -1.573 96 H PHE 15 HN PHE 15 3.857 0.210 -2.459 97 HA PHE 15 HA PHE 15 2.144 1.200 -4.610 98 HB2 PHE 15 2HB PHE 15 3.371 -1.536 -4.468 99 HB3 PHE 15 3HB PHE 15 1.802 -1.308 -5.234 100 HD1 PHE 15 1HD PHE 15 5.320 -0.133 -5.324 101 HD2 PHE 15 2HD PHE 15 1.659 -0.600 -7.443 102 HE1 PHE 15 1HE PHE 15 6.443 0.547 -7.405 103 HE2 PHE 15 2HE PHE 15 2.776 0.078 -9.528 104 HZ PHE 15 HZ PHE 15 5.170 0.652 -9.511 105 HA PRO 16 HA PRO 16 0.306 0.101 -5.654 106 HB2 PRO 16 2HB PRO 16 -2.129 1.301 -5.636 107 HB3 PRO 16 3HB PRO 16 -1.921 -0.452 -5.551 108 HG2 PRO 16 2HG PRO 16 -2.440 1.502 -3.344 109 HG3 PRO 16 3HG PRO 16 -3.158 -0.097 -3.614 110 HD2 PRO 16 2HD PRO 16 -1.161 0.322 -1.833 111 HD3 PRO 16 3HD PRO 16 -1.338 -1.202 -2.727 112 H CYS 17 HN CYS 17 -0.889 2.594 -3.391 113 HA CYS 17 HA CYS 17 0.977 4.527 -4.437 114 HB2 CYS 17 2HB CYS 17 -1.908 5.323 -4.624 115 HB3 CYS 17 3HB CYS 17 -0.507 6.028 -5.425 116 H ARG 18 HN ARG 18 -2.198 4.759 -2.836 117 HA ARG 18 HA ARG 18 -1.565 4.871 -0.224 118 HB2 ARG 18 2HB ARG 18 -0.069 6.533 -0.003 119 HB3 ARG 18 3HB ARG 18 -0.416 7.170 -1.605 120 HG2 ARG 18 2HG ARG 18 -0.904 8.847 0.038 121 HG3 ARG 18 3HG ARG 18 -2.415 8.292 -0.687 122 HD2 ARG 18 2HD ARG 18 -3.200 7.658 1.294 123 HD3 ARG 18 3HD ARG 18 -1.762 6.686 1.604 124 HE ARG 18 HE ARG 18 -2.340 9.299 2.638 125 HH11 ARG 18 1HH1 ARG 18 0.193 7.061 1.804 126 HH12 ARG 18 2HH1 ARG 18 1.345 7.756 2.896 127 HH21 ARG 18 1HH2 ARG 18 -0.832 10.223 4.078 128 HH22 ARG 18 2HH2 ARG 18 0.760 9.554 4.189 129 H VAL 19 HN VAL 19 -3.192 6.704 -2.755 130 HA VAL 19 HA VAL 19 -5.374 7.493 -1.047 131 HB VAL 19 HB VAL 19 -5.060 7.649 -4.046 132 HG11 VAL 19 1HG1 VAL 19 -7.432 7.538 -3.234 133 HG12 VAL 19 2HG1 VAL 19 -7.126 9.033 -2.347 134 HG13 VAL 19 3HG1 VAL 19 -7.012 9.012 -4.108 135 HG21 VAL 19 1HG2 VAL 19 -5.100 10.040 -2.291 136 HG22 VAL 19 2HG2 VAL 19 -3.644 9.045 -2.283 137 HG23 VAL 19 3HG2 VAL 19 -4.221 9.751 -3.793 138 H CYS 20 HN CYS 20 -5.128 5.383 -3.915 139 HA CYS 20 HA CYS 20 -7.539 4.336 -4.222 140 HB2 CYS 20 2HB CYS 20 -6.133 1.983 -4.168 141 HB3 CYS 20 3HB CYS 20 -6.188 3.096 -5.532 142 H THR 21 HN THR 21 -5.600 2.111 -2.341 143 HA THR 21 HA THR 21 -7.472 2.233 -0.103 144 HB THR 21 HB THR 21 -8.285 0.522 -1.815 145 HG1 THR 21 1HG THR 21 -8.387 -1.125 0.055 146 HG21 THR 21 1HG2 THR 21 -6.895 -1.067 -2.524 147 HG22 THR 21 2HG2 THR 21 -6.653 -1.618 -0.866 148 HG23 THR 21 3HG2 THR 21 -5.609 -0.369 -1.542 149 H ARG 22 HN ARG 22 -6.481 -0.407 0.819 150 HA ARG 22 HA ARG 22 -4.494 0.363 2.547 151 HB2 ARG 22 2HB ARG 22 -5.799 -2.046 1.884 152 HB3 ARG 22 3HB ARG 22 -4.076 -2.389 1.814 153 HG2 ARG 22 2HG ARG 22 -3.833 -1.476 4.092 154 HG3 ARG 22 3HG ARG 22 -5.581 -1.239 4.154 155 HD2 ARG 22 2HD ARG 22 -5.192 -3.890 3.333 156 HD3 ARG 22 3HD ARG 22 -4.038 -3.618 4.638 157 HE ARG 22 HE ARG 22 -6.409 -2.594 5.556 158 HH11 ARG 22 1HH1 ARG 22 -5.310 -5.685 4.388 159 HH12 ARG 22 2HH1 ARG 22 -6.421 -6.593 5.360 160 HH21 ARG 22 1HH2 ARG 22 -7.876 -3.779 6.839 161 HH22 ARG 22 2HH2 ARG 22 -7.881 -5.508 6.752 162 H VAL 23 HN VAL 23 -2.255 -0.937 2.546 163 HA VAL 23 HA VAL 23 -0.893 -0.084 0.086 164 HB VAL 23 HB VAL 23 1.179 -0.113 1.437 165 HG11 VAL 23 1HG1 VAL 23 -0.406 1.600 3.155 166 HG12 VAL 23 2HG1 VAL 23 0.807 2.024 1.946 167 HG13 VAL 23 3HG1 VAL 23 -0.867 1.756 1.460 168 HG21 VAL 23 1HG2 VAL 23 0.686 -1.760 3.085 169 HG22 VAL 23 2HG2 VAL 23 0.911 -0.229 3.931 170 HG23 VAL 23 3HG2 VAL 23 -0.715 -0.855 3.659 171 H PHE 24 HN PHE 24 -0.087 -1.555 -1.253 172 HA PHE 24 HA PHE 24 0.858 -4.112 -0.250 173 HB2 PHE 24 2HB PHE 24 -0.533 -5.073 -2.353 174 HB3 PHE 24 3HB PHE 24 -1.158 -5.060 -0.707 175 HD1 PHE 24 1HD PHE 24 -2.783 -3.351 -0.013 176 HD2 PHE 24 2HD PHE 24 -1.459 -3.682 -4.045 177 HE1 PHE 24 1HE PHE 24 -4.693 -1.984 -0.750 178 HE2 PHE 24 2HE PHE 24 -3.366 -2.318 -4.787 179 HZ PHE 24 HZ PHE 24 -4.986 -1.465 -3.140 180 H HIS 25 HN HIS 25 2.499 -4.947 -1.444 181 HA HIS 25 HA HIS 25 3.799 -3.273 -3.317 182 HB2 HIS 25 2HB HIS 25 4.239 -6.110 -2.417 183 HB3 HIS 25 3HB HIS 25 5.221 -5.395 -3.693 184 HD2 HIS 25 2HD HIS 25 5.066 -2.443 -1.718 185 HE1 HIS 25 1HE HIS 25 7.847 -4.785 0.467 186 HE2 HIS 25 2HE HIS 25 6.849 -2.494 0.155 187 H ASP 26 HN ASP 26 4.578 -4.239 -5.484 188 HA ASP 26 HA ASP 26 2.230 -4.707 -7.075 189 HB2 ASP 26 2HB ASP 26 4.484 -3.382 -7.606 190 HB3 ASP 26 3HB ASP 26 4.955 -4.951 -8.254 191 H GLY 27 HN GLY 27 4.889 -6.610 -5.845 192 HA2 GLY 27 1HA GLY 27 4.142 -8.909 -7.484 193 HA3 GLY 27 2HA GLY 27 5.521 -8.809 -6.398 194 H CYS 28 HN CYS 28 3.612 -7.680 -4.305 195 HA CYS 28 HA CYS 28 3.072 -10.165 -3.023 196 HB2 CYS 28 2HB CYS 28 2.618 -7.283 -2.371 197 HB3 CYS 28 3HB CYS 28 1.752 -8.504 -1.443 198 H LEU 29 HN LEU 29 1.056 -7.722 -4.602 199 HA LEU 29 HA LEU 29 -1.459 -8.677 -3.973 200 HB2 LEU 29 2HB LEU 29 -0.424 -7.369 -6.474 201 HB3 LEU 29 3HB LEU 29 -2.130 -7.730 -6.226 202 HG LEU 29 HG LEU 29 -0.506 -5.946 -4.417 203 HD11 LEU 29 1HD1 LEU 29 -0.704 -4.315 -5.901 204 HD12 LEU 29 2HD1 LEU 29 -2.456 -4.516 -5.896 205 HD13 LEU 29 3HD1 LEU 29 -1.467 -5.427 -7.038 206 HD21 LEU 29 1HD2 LEU 29 -2.844 -7.211 -3.888 207 HD22 LEU 29 2HD2 LEU 29 -3.429 -5.705 -4.597 208 HD23 LEU 29 3HD2 LEU 29 -2.366 -5.664 -3.189 209 H ARG 30 HN ARG 30 0.892 -9.956 -6.199 210 HA ARG 30 HA ARG 30 -1.032 -11.850 -7.310 211 HB2 ARG 30 2HB ARG 30 1.903 -11.487 -7.945 212 HB3 ARG 30 3HB ARG 30 0.767 -12.497 -8.829 213 HG2 ARG 30 2HG ARG 30 -0.006 -10.777 -10.016 214 HG3 ARG 30 3HG ARG 30 -0.107 -9.730 -8.600 215 HD2 ARG 30 2HD ARG 30 1.548 -8.619 -9.666 216 HD3 ARG 30 3HD ARG 30 2.557 -9.837 -8.886 217 HE ARG 30 HE ARG 30 1.926 -11.015 -11.219 218 HH11 ARG 30 1HH1 ARG 30 3.168 -7.858 -10.441 219 HH12 ARG 30 2HH1 ARG 30 4.045 -7.693 -11.926 220 HH21 ARG 30 1HH2 ARG 30 3.077 -10.811 -13.178 221 HH22 ARG 30 2HH2 ARG 30 3.992 -9.374 -13.483 222 H ARG 31 HN ARG 31 1.833 -11.751 -5.266 223 HA ARG 31 HA ARG 31 2.294 -14.508 -5.059 224 HB2 ARG 31 2HB ARG 31 3.217 -12.101 -3.766 225 HB3 ARG 31 3HB ARG 31 2.960 -13.371 -2.575 226 HG2 ARG 31 2HG ARG 31 4.717 -14.564 -3.285 227 HG3 ARG 31 3HG ARG 31 4.381 -14.237 -4.986 228 HD2 ARG 31 2HD ARG 31 5.332 -11.991 -4.732 229 HD3 ARG 31 3HD ARG 31 5.681 -12.337 -3.038 230 HE ARG 31 HE ARG 31 6.913 -14.329 -4.495 231 HH11 ARG 31 1HH1 ARG 31 7.087 -10.859 -4.275 232 HH12 ARG 31 2HH1 ARG 31 8.761 -10.784 -4.713 233 HH21 ARG 31 1HH2 ARG 31 9.117 -14.244 -5.074 234 HH22 ARG 31 2HH2 ARG 31 9.915 -12.709 -5.169 235 H MET 32 HN MET 32 0.460 -12.349 -2.894 236 HA MET 32 HA MET 32 -0.432 -14.367 -1.151 237 HB2 MET 32 2HB MET 32 -1.788 -11.743 -1.795 238 HB3 MET 32 3HB MET 32 -2.059 -12.730 -0.365 239 HG2 MET 32 2HG MET 32 0.411 -11.192 -1.105 240 HG3 MET 32 3HG MET 32 -0.660 -10.934 0.270 241 HE1 MET 32 1HE MET 32 -0.989 -12.306 2.115 242 HE2 MET 32 2HE MET 32 -0.850 -14.031 1.774 243 HE3 MET 32 3HE MET 32 0.273 -13.260 2.896 244 H GLY 33 HN GLY 33 -1.182 -13.874 -4.362 245 HA2 GLY 33 1HA GLY 33 -2.607 -15.170 -5.675 246 HA3 GLY 33 2HA GLY 33 -3.372 -15.769 -4.211 247 H TYR 34 HN TYR 34 -3.325 -12.570 -3.742 248 HA TYR 34 HA TYR 34 -6.007 -12.111 -3.852 249 HB2 TYR 34 2HB TYR 34 -3.624 -10.333 -4.020 250 HB3 TYR 34 3HB TYR 34 -5.192 -9.628 -4.397 251 HD1 TYR 34 1HD TYR 34 -2.932 -9.850 -1.882 252 HD2 TYR 34 2HD TYR 34 -7.061 -10.617 -2.564 253 HE1 TYR 34 1HE TYR 34 -3.375 -9.569 0.521 254 HE2 TYR 34 2HE TYR 34 -7.516 -10.337 -0.164 255 HH TYR 34 HH TYR 34 -6.672 -9.772 1.817 256 H ILE 35 HN ILE 35 -3.684 -11.734 -6.485 257 HA ILE 35 HA ILE 35 -5.857 -11.906 -8.406 258 HB ILE 35 HB ILE 35 -5.078 -9.953 -9.696 259 HG12 ILE 35 2HG1 ILE 35 -3.758 -8.421 -7.753 260 HG13 ILE 35 3HG1 ILE 35 -2.982 -10.000 -7.701 261 HG21 ILE 35 1HG2 ILE 35 -6.943 -9.885 -7.972 262 HG22 ILE 35 2HG2 ILE 35 -5.789 -9.076 -6.912 263 HG23 ILE 35 3HG2 ILE 35 -6.245 -8.336 -8.445 264 HD11 ILE 35 1HD1 ILE 35 -1.862 -9.561 -9.554 265 HD12 ILE 35 2HD1 ILE 35 -3.347 -9.165 -10.419 266 HD13 ILE 35 3HD1 ILE 35 -2.504 -7.921 -9.497 267 H GLN 36 HN GLN 36 -4.915 -11.906 -10.705 268 HA GLN 36 HA GLN 36 -2.634 -13.720 -10.689 269 HB2 GLN 36 2HB GLN 36 -4.715 -13.016 -12.745 270 HB3 GLN 36 3HB GLN 36 -3.278 -13.937 -13.168 271 HG2 GLN 36 2HG GLN 36 -4.371 -15.766 -12.586 272 HG3 GLN 36 3HG GLN 36 -4.302 -15.208 -10.915 273 HE21 GLN 36 1HE2 GLN 36 -6.069 -13.766 -10.224 274 HE22 GLN 36 2HE2 GLN 36 -7.653 -14.059 -10.849 275 H GLY 37 HN GLY 37 -3.578 -10.557 -11.886 276 HA2 GLY 37 1HA GLY 37 -1.281 -9.232 -11.884 277 HA3 GLY 37 2HA GLY 37 -1.049 -10.238 -13.305 278 H ASP 38 HN ASP 38 -0.935 -7.593 -13.678 279 HA ASP 38 HA ASP 38 -3.274 -7.114 -15.336 280 HB2 ASP 38 2HB ASP 38 -3.566 -4.807 -14.462 281 HB3 ASP 38 3HB ASP 38 -3.937 -6.045 -13.264 282 H SER 39 HN SER 39 -0.248 -5.672 -14.135 283 HA SER 39 HA SER 39 1.077 -5.641 -16.572 284 HB2 SER 39 2HB SER 39 -0.928 -3.600 -16.407 285 HB3 SER 39 3HB SER 39 0.662 -2.839 -16.423 286 HG SER 39 HG SER 39 0.941 -4.549 -18.244 287 H ALA 40 HN ALA 40 2.740 -3.589 -16.529 288 HA ALA 40 HA ALA 40 3.743 -3.425 -13.763 289 HB1 ALA 40 1HB ALA 40 5.583 -3.532 -16.126 290 HB2 ALA 40 2HB ALA 40 5.932 -3.860 -14.428 291 HB3 ALA 40 3HB ALA 40 4.979 -5.007 -15.371 292 H ALA 41 HN ALA 41 6.013 -1.835 -14.518 293 HA ALA 41 HA ALA 41 5.688 0.386 -16.018 294 HB1 ALA 41 1HB ALA 41 3.958 0.519 -13.603 295 HB2 ALA 41 2HB ALA 41 4.774 1.990 -14.134 296 HB3 ALA 41 3HB ALA 41 3.681 1.143 -15.229 297 H GLU 42 HN GLU 42 7.624 1.308 -15.947 298 HA GLU 42 HA GLU 42 8.901 1.917 -13.423 299 HB2 GLU 42 2HB GLU 42 9.943 -0.176 -15.301 300 HB3 GLU 42 3HB GLU 42 11.061 0.780 -14.339 301 HG2 GLU 42 2HG GLU 42 9.730 0.059 -12.315 302 HG3 GLU 42 3HG GLU 42 8.927 -1.097 -13.376 303 H VAL 43 HN VAL 43 8.851 4.063 -14.012 304 HA VAL 43 HA VAL 43 10.582 4.798 -16.281 305 HB VAL 43 HB VAL 43 8.118 6.269 -15.334 306 HG11 VAL 43 1HG1 VAL 43 9.677 7.897 -16.050 307 HG12 VAL 43 2HG1 VAL 43 10.171 6.921 -17.436 308 HG13 VAL 43 3HG1 VAL 43 8.568 7.656 -17.399 309 HG21 VAL 43 1HG2 VAL 43 8.532 5.053 -18.045 310 HG22 VAL 43 2HG2 VAL 43 7.876 4.108 -16.709 311 HG23 VAL 43 3HG2 VAL 43 7.028 5.549 -17.270 312 H THR 44 HN THR 44 9.851 5.133 -12.961 313 HA THR 44 HA THR 44 12.223 6.657 -12.486 314 HB THR 44 HB THR 44 10.345 8.353 -13.142 315 HG1 THR 44 1HG THR 44 12.458 8.768 -12.105 316 HG21 THR 44 1HG2 THR 44 9.698 8.317 -10.238 317 HG22 THR 44 2HG2 THR 44 8.881 7.154 -11.283 318 HG23 THR 44 3HG2 THR 44 8.736 8.882 -11.603 319 H GLU 45 HN GLU 45 11.850 7.567 -9.973 320 HA GLU 45 HA GLU 45 10.644 5.408 -8.413 321 HB2 GLU 45 2HB GLU 45 13.092 5.988 -7.134 322 HB3 GLU 45 3HB GLU 45 12.598 4.475 -7.882 323 HG2 GLU 45 2HG GLU 45 14.696 5.114 -8.803 324 HG3 GLU 45 3HG GLU 45 13.465 5.324 -10.045 325 H MET 46 HN MET 46 9.124 6.763 -7.547 326 HA MET 46 HA MET 46 9.819 8.276 -5.290 327 HB2 MET 46 2HB MET 46 9.592 9.760 -7.852 328 HB3 MET 46 3HB MET 46 8.825 10.482 -6.443 329 HG2 MET 46 2HG MET 46 11.261 9.815 -5.446 330 HG3 MET 46 3HG MET 46 11.658 10.207 -7.116 331 HE1 MET 46 1HE MET 46 10.303 11.563 -3.681 332 HE2 MET 46 2HE MET 46 9.604 13.105 -4.174 333 HE3 MET 46 3HE MET 46 8.882 11.593 -4.727 334 H ALA 47 HN ALA 47 7.927 6.275 -6.170 335 HA ALA 47 HA ALA 47 5.659 5.822 -6.275 336 HB1 ALA 47 1HB ALA 47 5.624 5.504 -4.052 337 HB2 ALA 47 2HB ALA 47 6.410 7.046 -3.715 338 HB3 ALA 47 3HB ALA 47 4.677 6.993 -4.036 339 H HIS 48 HN HIS 48 5.018 8.787 -4.560 340 HA HIS 48 HA HIS 48 2.949 9.557 -6.309 341 HB2 HIS 48 2HB HIS 48 3.442 10.215 -3.815 342 HB3 HIS 48 3HB HIS 48 4.322 11.552 -4.546 343 HD1 HIS 48 1HD HIS 48 2.425 12.286 -6.828 344 HD2 HIS 48 2HD HIS 48 1.165 11.426 -2.964 345 HE1 HIS 48 1HE HIS 48 0.186 13.405 -6.587 346 H THR 49 HN THR 49 3.450 9.938 -8.395 347 HA THR 49 HA THR 49 5.327 12.138 -8.932 348 HB THR 49 HB THR 49 5.823 10.854 -11.136 349 HG1 THR 49 1HG THR 49 5.698 8.578 -10.861 350 HG21 THR 49 1HG2 THR 49 7.143 9.383 -8.964 351 HG22 THR 49 2HG2 THR 49 7.180 11.138 -8.790 352 HG23 THR 49 3HG2 THR 49 7.835 10.381 -10.241 353 H GLU 50 HN GLU 50 3.741 10.224 -11.386 354 HA GLU 50 HA GLU 50 1.509 12.016 -11.682 355 HB2 GLU 50 2HB GLU 50 3.518 13.197 -12.728 356 HB3 GLU 50 3HB GLU 50 3.486 11.939 -13.954 357 HG2 GLU 50 2HG GLU 50 1.017 12.614 -14.261 358 HG3 GLU 50 3HG GLU 50 1.481 14.085 -13.407 359 H THR 51 HN THR 51 3.407 10.027 -13.947 360 HA THR 51 HA THR 51 1.096 8.214 -14.168 361 HB THR 51 HB THR 51 2.491 8.229 -16.650 362 HG1 THR 51 1HG THR 51 1.409 10.764 -16.394 363 HG21 THR 51 1HG2 THR 51 0.305 7.631 -16.870 364 HG22 THR 51 2HG2 THR 51 0.136 9.346 -17.250 365 HG23 THR 51 3HG2 THR 51 -0.241 8.759 -15.631 366 H GLY 52 HN GLY 52 2.172 6.425 -15.984 367 HA2 GLY 52 1HA GLY 52 3.812 4.795 -16.279 368 HA3 GLY 52 2HA GLY 52 4.778 5.578 -15.037 369 H TRP 53 HN TRP 53 4.042 5.292 -12.779 370 HA TRP 53 HA TRP 53 3.571 2.534 -12.253 371 HB2 TRP 53 2HB TRP 53 3.826 3.090 -9.945 372 HB3 TRP 53 3HB TRP 53 4.962 4.098 -10.838 373 HD1 TRP 53 1HD TRP 53 2.914 6.394 -11.718 374 HE1 TRP 53 1HE TRP 53 2.047 8.043 -9.943 375 HE3 TRP 53 3HE TRP 53 3.794 3.607 -7.524 376 HZ2 TRP 53 2HZ TRP 53 1.774 8.150 -7.136 377 HZ3 TRP 53 3HZ TRP 53 3.201 4.556 -5.333 378 HH2 TRP 53 2HH TRP 53 2.213 6.780 -5.143 379 H SER 54 HN SER 54 1.617 1.705 -12.685 380 HA SER 54 HA SER 54 -0.753 3.176 -11.740 381 HB2 SER 54 2HB SER 54 -1.557 1.072 -13.451 382 HB3 SER 54 3HB SER 54 -1.601 2.805 -13.779 383 HG SER 54 HG SER 54 -0.336 1.987 -15.353 384 H CYS 55 HN CYS 55 -2.410 2.034 -10.669 385 HA CYS 55 HA CYS 55 -1.618 -0.597 -9.608 386 HB2 CYS 55 2HB CYS 55 -1.858 0.072 -7.470 387 HB3 CYS 55 3HB CYS 55 -1.692 1.700 -8.120 388 H HIS 56 HN HIS 56 -3.357 -1.995 -8.988 389 HA HIS 56 HA HIS 56 -5.290 -2.514 -10.744 390 HB2 HIS 56 2HB HIS 56 -5.132 -2.919 -7.809 391 HB3 HIS 56 3HB HIS 56 -6.711 -3.159 -8.551 392 HD1 HIS 56 1HD HIS 56 -6.376 -4.750 -10.915 393 HD2 HIS 56 2HD HIS 56 -3.802 -5.255 -7.693 394 HE1 HIS 56 1HE HIS 56 -5.384 -7.044 -11.200 395 H TYR 57 HN TYR 57 -6.724 -1.289 -7.799 396 HA TYR 57 HA TYR 57 -8.623 0.244 -9.362 397 HB2 TYR 57 2HB TYR 57 -8.740 0.395 -6.415 398 HB3 TYR 57 3HB TYR 57 -10.019 0.068 -7.579 399 HD1 TYR 57 1HD TYR 57 -7.411 -1.407 -5.481 400 HD2 TYR 57 2HD TYR 57 -10.477 -2.205 -8.322 401 HE1 TYR 57 1HE TYR 57 -7.320 -3.796 -4.900 402 HE2 TYR 57 2HE TYR 57 -10.395 -4.595 -7.748 403 HH TYR 57 HH TYR 57 -8.569 -6.186 -6.746 404 H CYS 58 HN CYS 58 -6.784 1.690 -10.056 405 HA CYS 58 HA CYS 58 -6.172 3.740 -8.043 406 HB2 CYS 58 2HB CYS 58 -4.460 2.477 -9.704 407 HB3 CYS 58 3HB CYS 58 -4.890 3.855 -10.712 408 H ASP 59 HN ASP 59 -5.472 5.576 -10.311 409 HA ASP 59 HA ASP 59 -8.170 6.294 -11.228 410 HB2 ASP 59 2HB ASP 59 -7.588 8.703 -10.778 411 HB3 ASP 59 3HB ASP 59 -7.818 7.718 -9.336 412 H ASN 60 HN ASN 60 -6.559 4.983 -12.891 413 HA ASN 60 HA ASN 60 -5.119 6.956 -14.506 414 HB2 ASN 60 2HB ASN 60 -5.259 3.961 -14.900 415 HB3 ASN 60 3HB ASN 60 -4.135 5.080 -15.663 416 HD21 ASN 60 1HD2 ASN 60 -4.627 2.974 -13.118 417 HD22 ASN 60 2HD2 ASN 60 -3.275 3.422 -12.142 Start of MODEL 12 1 H1 GLU 1 HN GLU 1 1.751 4.688 4.998 2 HA GLU 1 HA GLU 1 0.949 2.825 3.969 3 HB2 GLU 1 2HB GLU 1 2.065 4.416 1.693 4 HB3 GLU 1 3HB GLU 1 1.481 2.785 1.394 5 HG2 GLU 1 2HG GLU 1 -0.376 4.054 0.935 6 HG3 GLU 1 3HG GLU 1 -0.655 3.593 2.614 7 H MET 2 HN MET 2 1.784 0.921 4.487 8 HA MET 2 HA MET 2 4.333 0.123 3.269 9 HB2 MET 2 2HB MET 2 3.759 -0.803 6.040 10 HB3 MET 2 3HB MET 2 5.305 -0.527 5.247 11 HG2 MET 2 2HG MET 2 4.788 1.938 5.376 12 HG3 MET 2 3HG MET 2 3.444 1.509 6.431 13 HE1 MET 2 1HE MET 2 7.458 2.576 7.292 14 HE2 MET 2 2HE MET 2 7.789 0.934 6.740 15 HE3 MET 2 3HE MET 2 6.868 2.039 5.719 16 H CYS 3 HN CYS 3 4.207 -1.776 2.268 17 HA CYS 3 HA CYS 3 2.052 -3.222 1.682 18 HB2 CYS 3 2HB CYS 3 4.240 -3.771 0.775 19 HB3 CYS 3 3HB CYS 3 4.768 -4.381 2.341 20 H ASP 4 HN ASP 4 0.450 -4.000 2.871 21 HA ASP 4 HA ASP 4 0.563 -4.476 5.628 22 HB2 ASP 4 2HB ASP 4 -1.472 -4.149 3.992 23 HB3 ASP 4 3HB ASP 4 -1.432 -5.908 3.917 24 H VAL 5 HN VAL 5 1.679 -6.358 3.036 25 HA VAL 5 HA VAL 5 1.556 -8.857 4.553 26 HB VAL 5 HB VAL 5 2.514 -8.341 1.733 27 HG11 VAL 5 1HG1 VAL 5 3.678 -10.241 2.401 28 HG12 VAL 5 2HG1 VAL 5 2.345 -10.827 3.397 29 HG13 VAL 5 3HG1 VAL 5 2.232 -10.902 1.639 30 HG21 VAL 5 1HG2 VAL 5 -0.027 -9.623 2.733 31 HG22 VAL 5 2HG2 VAL 5 0.101 -8.014 2.022 32 HG23 VAL 5 3HG2 VAL 5 0.451 -9.440 1.045 33 H CYS 6 HN CYS 6 3.529 -6.263 4.443 34 HA CYS 6 HA CYS 6 5.787 -7.796 5.442 35 HB2 CYS 6 2HB CYS 6 6.045 -5.876 3.118 36 HB3 CYS 6 3HB CYS 6 7.401 -6.569 4.004 37 H GLU 7 HN GLU 7 5.041 -4.462 4.405 38 HA GLU 7 HA GLU 7 4.823 -2.552 5.675 39 HB2 GLU 7 2HB GLU 7 5.856 -3.950 8.116 40 HB3 GLU 7 3HB GLU 7 4.737 -2.601 8.003 41 HG2 GLU 7 2HG GLU 7 3.537 -4.789 6.686 42 HG3 GLU 7 3HG GLU 7 4.178 -5.381 8.218 43 H VAL 8 HN VAL 8 6.667 -2.106 4.228 44 HA VAL 8 HA VAL 8 8.878 -1.081 5.726 45 HB VAL 8 HB VAL 8 10.353 -2.484 3.859 46 HG11 VAL 8 1HG1 VAL 8 9.964 -3.511 6.646 47 HG12 VAL 8 2HG1 VAL 8 11.448 -3.390 5.697 48 HG13 VAL 8 3HG1 VAL 8 10.700 -1.934 6.358 49 HG21 VAL 8 1HG2 VAL 8 9.752 -4.838 4.179 50 HG22 VAL 8 2HG2 VAL 8 8.319 -4.349 5.085 51 HG23 VAL 8 3HG2 VAL 8 8.461 -3.945 3.374 52 H TRP 9 HN TRP 9 8.391 0.883 4.807 53 HA TRP 9 HA TRP 9 7.707 1.522 2.250 54 HB2 TRP 9 2HB TRP 9 7.715 3.407 3.534 55 HB3 TRP 9 3HB TRP 9 9.175 2.936 4.401 56 HD1 TRP 9 1HD TRP 9 11.449 3.912 3.561 57 HE1 TRP 9 1HE TRP 9 12.099 5.595 1.725 58 HE3 TRP 9 3HE TRP 9 6.978 4.190 1.096 59 HZ2 TRP 9 2HZ TRP 9 10.877 6.872 -0.476 60 HZ3 TRP 9 3HZ TRP 9 6.802 5.666 -0.864 61 HH2 TRP 9 2HH TRP 9 8.712 6.979 -1.633 62 H THR 10 HN THR 10 8.760 1.998 0.329 63 HA THR 10 HA THR 10 11.525 0.991 0.137 64 HB THR 10 HB THR 10 10.742 0.792 -2.406 65 HG1 THR 10 1HG THR 10 8.627 0.629 -2.643 66 HG21 THR 10 1HG2 THR 10 11.281 -0.965 -0.359 67 HG22 THR 10 2HG2 THR 10 11.009 -1.407 -2.044 68 HG23 THR 10 3HG2 THR 10 9.677 -1.467 -0.891 69 H ALA 11 HN ALA 11 9.847 2.549 -2.485 70 HA ALA 11 HA ALA 11 10.357 5.188 -2.251 71 HB1 ALA 11 1HB ALA 11 12.580 5.233 -1.825 72 HB2 ALA 11 2HB ALA 11 12.881 3.699 -2.641 73 HB3 ALA 11 3HB ALA 11 12.673 5.173 -3.586 74 H GLU 12 HN GLU 12 11.291 2.606 -4.523 75 HA GLU 12 HA GLU 12 10.928 3.901 -6.911 76 HB2 GLU 12 2HB GLU 12 10.401 1.046 -6.118 77 HB3 GLU 12 3HB GLU 12 10.173 1.595 -7.772 78 HG2 GLU 12 2HG GLU 12 12.638 2.526 -7.362 79 HG3 GLU 12 3HG GLU 12 12.659 1.167 -6.239 80 H SER 13 HN SER 13 8.479 1.488 -6.390 81 HA SER 13 HA SER 13 6.339 3.455 -6.288 82 HB2 SER 13 2HB SER 13 7.169 2.267 -8.752 83 HB3 SER 13 3HB SER 13 5.579 1.628 -8.333 84 HG SER 13 HG SER 13 4.945 3.866 -8.016 85 H LEU 14 HN LEU 14 5.471 2.668 -4.447 86 HA LEU 14 HA LEU 14 5.059 -0.195 -4.128 87 HB2 LEU 14 2HB LEU 14 5.890 1.278 -2.278 88 HB3 LEU 14 3HB LEU 14 4.296 2.029 -2.246 89 HG LEU 14 HG LEU 14 3.375 -0.286 -1.756 90 HD11 LEU 14 1HD1 LEU 14 5.628 -1.331 -2.480 91 HD12 LEU 14 2HD1 LEU 14 4.767 -2.014 -1.101 92 HD13 LEU 14 3HD1 LEU 14 6.143 -0.944 -0.837 93 HD21 LEU 14 1HD2 LEU 14 4.591 1.666 -0.073 94 HD22 LEU 14 2HD2 LEU 14 4.870 0.067 0.616 95 HD23 LEU 14 3HD2 LEU 14 3.226 0.602 0.270 96 H PHE 15 HN PHE 15 3.091 -1.206 -4.056 97 HA PHE 15 HA PHE 15 0.911 0.160 -5.369 98 HB2 PHE 15 2HB PHE 15 1.293 -2.679 -4.419 99 HB3 PHE 15 3HB PHE 15 -0.210 -2.110 -5.137 100 HD1 PHE 15 1HD PHE 15 -0.483 -2.727 -7.319 101 HD2 PHE 15 2HD PHE 15 3.429 -1.799 -5.923 102 HE1 PHE 15 1HE PHE 15 0.420 -3.173 -9.564 103 HE2 PHE 15 2HE PHE 15 4.339 -2.242 -8.165 104 HZ PHE 15 HZ PHE 15 2.834 -2.929 -9.990 105 HA PRO 16 HA PRO 16 -1.361 -0.541 -5.564 106 HB2 PRO 16 2HB PRO 16 -3.326 1.332 -5.488 107 HB3 PRO 16 3HB PRO 16 -3.524 -0.295 -4.827 108 HG2 PRO 16 2HG PRO 16 -2.888 2.262 -3.407 109 HG3 PRO 16 3HG PRO 16 -4.011 0.972 -2.938 110 HD2 PRO 16 2HD PRO 16 -1.537 1.213 -1.863 111 HD3 PRO 16 3HD PRO 16 -2.327 -0.360 -2.099 112 H CYS 17 HN CYS 17 -1.252 2.748 -4.171 113 HA CYS 17 HA CYS 17 0.675 3.607 -6.124 114 HB2 CYS 17 2HB CYS 17 -0.642 5.205 -7.286 115 HB3 CYS 17 3HB CYS 17 -1.563 3.704 -7.320 116 H ARG 18 HN ARG 18 -1.746 4.664 -3.751 117 HA ARG 18 HA ARG 18 0.170 5.863 -2.060 118 HB2 ARG 18 2HB ARG 18 0.338 7.958 -2.808 119 HB3 ARG 18 3HB ARG 18 -0.559 7.473 -4.241 120 HG2 ARG 18 2HG ARG 18 -1.805 9.249 -3.508 121 HG3 ARG 18 3HG ARG 18 -2.644 7.902 -2.734 122 HD2 ARG 18 2HD ARG 18 -2.402 9.523 -1.051 123 HD3 ARG 18 3HD ARG 18 -1.148 8.328 -0.724 124 HE ARG 18 HE ARG 18 0.387 9.982 -1.007 125 HH11 ARG 18 1HH1 ARG 18 -2.506 10.868 -2.729 126 HH12 ARG 18 2HH1 ARG 18 -1.899 12.418 -3.212 127 HH21 ARG 18 1HH2 ARG 18 1.196 12.018 -1.638 128 HH22 ARG 18 2HH2 ARG 18 0.207 13.070 -2.592 129 H VAL 19 HN VAL 19 -3.165 5.659 -3.134 130 HA VAL 19 HA VAL 19 -4.008 5.521 -0.332 131 HB VAL 19 HB VAL 19 -5.212 7.353 -2.403 132 HG11 VAL 19 1HG1 VAL 19 -6.555 5.865 -0.367 133 HG12 VAL 19 2HG1 VAL 19 -6.604 7.582 0.037 134 HG13 VAL 19 3HG1 VAL 19 -7.220 7.022 -1.519 135 HG21 VAL 19 1HG2 VAL 19 -4.765 8.320 0.316 136 HG22 VAL 19 2HG2 VAL 19 -3.288 7.817 -0.506 137 HG23 VAL 19 3HG2 VAL 19 -4.328 9.044 -1.231 138 H CYS 20 HN CYS 20 -6.358 5.909 -2.823 139 HA CYS 20 HA CYS 20 -7.921 4.517 -3.710 140 HB2 CYS 20 2HB CYS 20 -6.356 2.045 -3.496 141 HB3 CYS 20 3HB CYS 20 -7.059 2.814 -4.915 142 H THR 21 HN THR 21 -6.252 2.172 -1.625 143 HA THR 21 HA THR 21 -8.522 2.149 0.208 144 HB THR 21 HB THR 21 -7.789 -0.105 -1.599 145 HG1 THR 21 1HG THR 21 -9.744 0.721 -2.054 146 HG21 THR 21 1HG2 THR 21 -8.329 -0.357 1.311 147 HG22 THR 21 2HG2 THR 21 -7.367 -1.382 0.245 148 HG23 THR 21 3HG2 THR 21 -9.126 -1.501 0.233 149 H ARG 22 HN ARG 22 -5.661 0.134 -0.507 150 HA ARG 22 HA ARG 22 -4.595 0.807 2.140 151 HB2 ARG 22 2HB ARG 22 -5.882 -1.542 1.794 152 HB3 ARG 22 3HB ARG 22 -4.261 -2.010 1.298 153 HG2 ARG 22 2HG ARG 22 -3.403 -1.792 3.386 154 HG3 ARG 22 3HG ARG 22 -4.517 -0.496 3.829 155 HD2 ARG 22 2HD ARG 22 -6.344 -2.200 3.893 156 HD3 ARG 22 3HD ARG 22 -5.118 -3.444 3.653 157 HE ARG 22 HE ARG 22 -4.457 -3.184 5.840 158 HH11 ARG 22 1HH1 ARG 22 -6.607 -0.596 4.943 159 HH12 ARG 22 2HH1 ARG 22 -6.789 -0.011 6.562 160 HH21 ARG 22 1HH2 ARG 22 -4.689 -2.423 7.977 161 HH22 ARG 22 2HH2 ARG 22 -5.697 -1.050 8.288 162 H VAL 23 HN VAL 23 -2.552 -1.330 1.755 163 HA VAL 23 HA VAL 23 -1.042 -0.260 -0.520 164 HB VAL 23 HB VAL 23 0.943 0.101 0.745 165 HG11 VAL 23 1HG1 VAL 23 -1.533 1.318 1.897 166 HG12 VAL 23 2HG1 VAL 23 0.051 1.722 2.563 167 HG13 VAL 23 3HG1 VAL 23 -0.303 2.048 0.865 168 HG21 VAL 23 1HG2 VAL 23 0.776 -0.181 3.313 169 HG22 VAL 23 2HG2 VAL 23 -0.554 -1.277 2.941 170 HG23 VAL 23 3HG2 VAL 23 1.060 -1.605 2.313 171 H PHE 24 HN PHE 24 -0.200 -1.839 -1.704 172 HA PHE 24 HA PHE 24 0.406 -4.410 -0.404 173 HB2 PHE 24 2HB PHE 24 -0.386 -4.565 -3.232 174 HB3 PHE 24 3HB PHE 24 -0.833 -5.598 -1.877 175 HD1 PHE 24 1HD PHE 24 -2.566 -4.667 -0.225 176 HD2 PHE 24 2HD PHE 24 -1.921 -3.074 -4.118 177 HE1 PHE 24 1HE PHE 24 -4.797 -3.630 -0.167 178 HE2 PHE 24 2HE PHE 24 -4.148 -2.034 -4.067 179 HZ PHE 24 HZ PHE 24 -5.590 -2.311 -2.089 180 H HIS 25 HN HIS 25 1.801 -5.807 -1.933 181 HA HIS 25 HA HIS 25 3.961 -4.091 -2.946 182 HB2 HIS 25 2HB HIS 25 3.908 -6.513 -1.356 183 HB3 HIS 25 3HB HIS 25 4.916 -6.716 -2.786 184 HD2 HIS 25 2HD HIS 25 5.782 -3.324 -2.412 185 HE1 HIS 25 1HE HIS 25 7.927 -5.058 0.812 186 HE2 HIS 25 2HE HIS 25 7.616 -3.005 -0.615 187 H ASP 26 HN ASP 26 5.320 -5.306 -4.689 188 HA ASP 26 HA ASP 26 3.484 -5.889 -6.865 189 HB2 ASP 26 2HB ASP 26 5.500 -4.326 -7.038 190 HB3 ASP 26 3HB ASP 26 6.493 -5.781 -7.037 191 H GLY 27 HN GLY 27 5.910 -7.511 -4.919 192 HA2 GLY 27 1HA GLY 27 5.720 -9.932 -6.540 193 HA3 GLY 27 2HA GLY 27 6.811 -9.668 -5.187 194 H CYS 28 HN CYS 28 4.506 -8.645 -3.554 195 HA CYS 28 HA CYS 28 3.788 -11.165 -2.404 196 HB2 CYS 28 2HB CYS 28 3.095 -8.303 -1.781 197 HB3 CYS 28 3HB CYS 28 2.316 -9.635 -0.933 198 H LEU 29 HN LEU 29 1.746 -8.496 -3.608 199 HA LEU 29 HA LEU 29 -0.705 -9.550 -3.602 200 HB2 LEU 29 2HB LEU 29 0.591 -8.085 -5.891 201 HB3 LEU 29 3HB LEU 29 -1.139 -8.401 -5.789 202 HG LEU 29 HG LEU 29 0.391 -6.808 -3.739 203 HD11 LEU 29 1HD1 LEU 29 0.325 -5.019 -5.047 204 HD12 LEU 29 2HD1 LEU 29 -1.392 -5.258 -5.368 205 HD13 LEU 29 3HD1 LEU 29 -0.188 -6.060 -6.375 206 HD21 LEU 29 1HD2 LEU 29 -2.136 -5.971 -3.565 207 HD22 LEU 29 2HD2 LEU 29 -1.521 -7.342 -2.642 208 HD23 LEU 29 3HD2 LEU 29 -2.430 -7.616 -4.129 209 H ARG 30 HN ARG 30 1.888 -10.560 -5.730 210 HA ARG 30 HA ARG 30 0.188 -12.313 -7.275 211 HB2 ARG 30 2HB ARG 30 1.849 -12.037 -8.739 212 HB3 ARG 30 3HB ARG 30 2.824 -11.225 -7.521 213 HG2 ARG 30 2HG ARG 30 3.746 -13.319 -6.787 214 HG3 ARG 30 3HG ARG 30 2.670 -14.211 -7.866 215 HD2 ARG 30 2HD ARG 30 4.011 -13.895 -9.625 216 HD3 ARG 30 3HD ARG 30 4.223 -12.184 -9.256 217 HE ARG 30 HE ARG 30 6.284 -12.751 -8.492 218 HH11 ARG 30 1HH1 ARG 30 4.146 -15.440 -7.932 219 HH12 ARG 30 2HH1 ARG 30 5.365 -16.423 -7.193 220 HH21 ARG 30 1HH2 ARG 30 7.899 -14.036 -7.520 221 HH22 ARG 30 2HH2 ARG 30 7.499 -15.624 -6.957 222 H ARG 31 HN ARG 31 2.820 -12.714 -4.913 223 HA ARG 31 HA ARG 31 2.514 -15.558 -4.795 224 HB2 ARG 31 2HB ARG 31 4.315 -13.565 -3.718 225 HB3 ARG 31 3HB ARG 31 3.855 -14.729 -2.483 226 HG2 ARG 31 2HG ARG 31 4.699 -15.752 -5.142 227 HG3 ARG 31 3HG ARG 31 5.931 -15.126 -4.044 228 HD2 ARG 31 2HD ARG 31 5.800 -16.918 -2.716 229 HD3 ARG 31 3HD ARG 31 4.037 -16.888 -2.717 230 HE ARG 31 HE ARG 31 4.030 -18.422 -4.437 231 HH11 ARG 31 1HH1 ARG 31 7.261 -17.241 -3.903 232 HH12 ARG 31 2HH1 ARG 31 8.005 -18.436 -4.914 233 HH21 ARG 31 1HH2 ARG 31 4.998 -20.000 -5.770 234 HH22 ARG 31 2HH2 ARG 31 6.717 -20.005 -5.976 235 H MET 32 HN MET 32 0.499 -13.232 -3.795 236 HA MET 32 HA MET 32 -0.336 -14.718 -1.391 237 HB2 MET 32 2HB MET 32 -0.543 -11.801 -2.095 238 HB3 MET 32 3HB MET 32 -1.586 -12.521 -0.875 239 HG2 MET 32 2HG MET 32 1.420 -12.597 -0.796 240 HG3 MET 32 3HG MET 32 0.428 -11.402 0.036 241 HE1 MET 32 1HE MET 32 -1.740 -12.293 1.163 242 HE2 MET 32 2HE MET 32 -1.752 -13.642 2.300 243 HE3 MET 32 3HE MET 32 -0.833 -12.182 2.671 244 H GLY 33 HN GLY 33 -1.012 -14.562 -4.522 245 HA2 GLY 33 1HA GLY 33 -2.842 -15.129 -5.786 246 HA3 GLY 33 2HA GLY 33 -3.582 -15.688 -4.293 247 H TYR 34 HN TYR 34 -2.647 -12.457 -4.094 248 HA TYR 34 HA TYR 34 -5.317 -11.545 -3.854 249 HB2 TYR 34 2HB TYR 34 -2.617 -10.300 -3.768 250 HB3 TYR 34 3HB TYR 34 -3.986 -9.234 -4.063 251 HD1 TYR 34 1HD TYR 34 -1.936 -10.424 -1.577 252 HD2 TYR 34 2HD TYR 34 -6.074 -9.860 -2.399 253 HE1 TYR 34 1HE TYR 34 -2.402 -10.366 0.836 254 HE2 TYR 34 2HE TYR 34 -6.550 -9.800 0.014 255 HH TYR 34 HH TYR 34 -5.496 -9.445 2.090 256 H ILE 35 HN ILE 35 -2.989 -11.539 -6.468 257 HA ILE 35 HA ILE 35 -5.099 -10.671 -8.294 258 HB ILE 35 HB ILE 35 -3.615 -9.124 -9.469 259 HG12 ILE 35 2HG1 ILE 35 -1.557 -8.412 -7.936 260 HG13 ILE 35 3HG1 ILE 35 -1.676 -10.090 -7.418 261 HG21 ILE 35 1HG2 ILE 35 -5.012 -8.009 -7.984 262 HG22 ILE 35 2HG2 ILE 35 -4.184 -8.652 -6.568 263 HG23 ILE 35 3HG2 ILE 35 -3.412 -7.409 -7.551 264 HD11 ILE 35 1HD1 ILE 35 -0.133 -9.398 -9.409 265 HD12 ILE 35 2HD1 ILE 35 -1.049 -10.905 -9.459 266 HD13 ILE 35 3HD1 ILE 35 -1.635 -9.486 -10.329 267 H GLN 36 HN GLN 36 -4.041 -10.722 -10.652 268 HA GLN 36 HA GLN 36 -2.539 -13.248 -10.850 269 HB2 GLN 36 2HB GLN 36 -5.132 -12.685 -11.798 270 HB3 GLN 36 3HB GLN 36 -4.091 -12.719 -13.216 271 HG2 GLN 36 2HG GLN 36 -3.964 -14.910 -11.190 272 HG3 GLN 36 3HG GLN 36 -5.226 -14.894 -12.419 273 HE21 GLN 36 1HE2 GLN 36 -1.750 -14.164 -12.374 274 HE22 GLN 36 2HE2 GLN 36 -1.346 -15.184 -13.707 275 H GLY 37 HN GLY 37 -3.404 -10.315 -12.688 276 HA2 GLY 37 1HA GLY 37 -0.643 -10.311 -13.739 277 HA3 GLY 37 2HA GLY 37 -2.024 -9.948 -14.764 278 H ASP 38 HN ASP 38 -0.162 -8.833 -11.985 279 HA ASP 38 HA ASP 38 -0.806 -6.082 -12.739 280 HB2 ASP 38 2HB ASP 38 -1.498 -7.400 -10.167 281 HB3 ASP 38 3HB ASP 38 -0.862 -5.758 -10.076 282 H SER 39 HN SER 39 1.518 -7.093 -13.439 283 HA SER 39 HA SER 39 3.414 -5.996 -11.471 284 HB2 SER 39 2HB SER 39 4.742 -7.928 -13.099 285 HB3 SER 39 3HB SER 39 4.489 -7.956 -11.355 286 HG SER 39 HG SER 39 2.874 -9.059 -13.392 287 H ALA 40 HN ALA 40 3.953 -4.092 -12.352 288 HA ALA 40 HA ALA 40 4.243 -3.770 -15.209 289 HB1 ALA 40 1HB ALA 40 3.342 -2.054 -13.471 290 HB2 ALA 40 2HB ALA 40 5.050 -1.680 -13.235 291 HB3 ALA 40 3HB ALA 40 4.319 -1.497 -14.830 292 H ALA 41 HN ALA 41 6.395 -1.762 -14.872 293 HA ALA 41 HA ALA 41 8.633 -3.625 -15.065 294 HB1 ALA 41 1HB ALA 41 9.648 -2.131 -16.445 295 HB2 ALA 41 2HB ALA 41 7.974 -1.635 -16.697 296 HB3 ALA 41 3HB ALA 41 9.004 -0.730 -15.587 297 H GLU 42 HN GLU 42 7.263 -1.515 -12.813 298 HA GLU 42 HA GLU 42 8.097 -0.386 -10.973 299 HB2 GLU 42 2HB GLU 42 9.099 -1.957 -9.374 300 HB3 GLU 42 3HB GLU 42 7.710 -2.662 -10.189 301 HG2 GLU 42 2HG GLU 42 9.216 -3.876 -11.692 302 HG3 GLU 42 3HG GLU 42 10.600 -3.190 -10.841 303 H VAL 43 HN VAL 43 9.600 0.453 -13.070 304 HA VAL 43 HA VAL 43 12.317 0.532 -11.929 305 HB VAL 43 HB VAL 43 12.439 -0.761 -13.959 306 HG11 VAL 43 1HG1 VAL 43 10.307 0.700 -14.819 307 HG12 VAL 43 2HG1 VAL 43 11.617 1.371 -15.792 308 HG13 VAL 43 3HG1 VAL 43 11.281 -0.360 -15.838 309 HG21 VAL 43 1HG2 VAL 43 13.772 1.743 -13.587 310 HG22 VAL 43 2HG2 VAL 43 14.391 0.249 -14.290 311 HG23 VAL 43 3HG2 VAL 43 13.576 1.433 -15.312 312 H THR 44 HN THR 44 11.984 2.459 -10.841 313 HA THR 44 HA THR 44 12.466 4.834 -12.240 314 HB THR 44 HB THR 44 10.044 4.465 -12.895 315 HG1 THR 44 1HG THR 44 10.334 6.541 -13.171 316 HG21 THR 44 1HG2 THR 44 9.205 5.545 -10.270 317 HG22 THR 44 2HG2 THR 44 9.615 3.830 -10.325 318 HG23 THR 44 3HG2 THR 44 8.354 4.470 -11.378 319 H GLU 45 HN GLU 45 12.818 6.609 -10.866 320 HA GLU 45 HA GLU 45 12.843 5.908 -8.009 321 HB2 GLU 45 2HB GLU 45 14.573 7.806 -9.599 322 HB3 GLU 45 3HB GLU 45 14.605 7.699 -7.844 323 HG2 GLU 45 2HG GLU 45 15.972 5.963 -7.911 324 HG3 GLU 45 3HG GLU 45 14.893 5.088 -8.996 325 H MET 46 HN MET 46 11.013 7.568 -10.106 326 HA MET 46 HA MET 46 10.626 10.125 -9.353 327 HB2 MET 46 2HB MET 46 8.661 7.963 -10.015 328 HB3 MET 46 3HB MET 46 8.077 9.553 -9.544 329 HG2 MET 46 2HG MET 46 9.991 9.044 -11.807 330 HG3 MET 46 3HG MET 46 8.248 9.224 -11.989 331 HE1 MET 46 1HE MET 46 11.496 10.453 -11.860 332 HE2 MET 46 2HE MET 46 11.290 12.060 -12.555 333 HE3 MET 46 3HE MET 46 11.511 11.874 -10.815 334 H ALA 47 HN ALA 47 8.215 7.993 -7.957 335 HA ALA 47 HA ALA 47 7.315 7.842 -5.872 336 HB1 ALA 47 1HB ALA 47 8.755 7.461 -4.152 337 HB2 ALA 47 2HB ALA 47 9.895 7.352 -5.493 338 HB3 ALA 47 3HB ALA 47 9.778 8.840 -4.554 339 H HIS 48 HN HIS 48 5.778 9.317 -5.543 340 HA HIS 48 HA HIS 48 4.723 11.238 -4.931 341 HB2 HIS 48 2HB HIS 48 7.350 11.564 -3.496 342 HB3 HIS 48 3HB HIS 48 6.085 12.784 -3.389 343 HD1 HIS 48 1HD HIS 48 7.315 10.279 -1.391 344 HD2 HIS 48 2HD HIS 48 3.479 11.098 -2.759 345 HE1 HIS 48 1HE HIS 48 5.767 9.123 0.219 346 H THR 49 HN THR 49 4.890 11.678 -7.296 347 HA THR 49 HA THR 49 6.038 14.320 -7.687 348 HB THR 49 HB THR 49 6.874 13.464 -10.016 349 HG1 THR 49 1HG THR 49 6.642 11.359 -10.153 350 HG21 THR 49 1HG2 THR 49 9.034 13.517 -9.207 351 HG22 THR 49 2HG2 THR 49 8.623 12.611 -7.751 352 HG23 THR 49 3HG2 THR 49 8.163 14.307 -7.893 353 H GLU 50 HN GLU 50 4.643 11.697 -9.671 354 HA GLU 50 HA GLU 50 2.127 12.860 -10.008 355 HB2 GLU 50 2HB GLU 50 3.206 14.656 -11.189 356 HB3 GLU 50 3HB GLU 50 4.118 13.525 -12.178 357 HG2 GLU 50 2HG GLU 50 2.034 14.710 -13.157 358 HG3 GLU 50 3HG GLU 50 2.313 13.003 -13.497 359 H THR 51 HN THR 51 4.485 11.370 -12.236 360 HA THR 51 HA THR 51 2.509 9.315 -12.887 361 HB THR 51 HB THR 51 4.253 8.648 -14.628 362 HG1 THR 51 1HG THR 51 6.111 9.617 -14.200 363 HG21 THR 51 1HG2 THR 51 3.734 11.263 -15.579 364 HG22 THR 51 2HG2 THR 51 2.361 10.786 -14.581 365 HG23 THR 51 3HG2 THR 51 2.855 9.779 -15.941 366 H GLY 52 HN GLY 52 3.786 7.121 -13.487 367 HA2 GLY 52 1HA GLY 52 5.256 5.435 -12.765 368 HA3 GLY 52 2HA GLY 52 5.732 6.457 -11.418 369 H TRP 53 HN TRP 53 4.230 6.676 -9.624 370 HA TRP 53 HA TRP 53 3.142 4.151 -8.874 371 HB2 TRP 53 2HB TRP 53 2.244 5.607 -6.899 372 HB3 TRP 53 3HB TRP 53 3.976 5.330 -7.057 373 HD1 TRP 53 1HD TRP 53 5.458 7.417 -7.988 374 HE1 TRP 53 1HE TRP 53 5.047 9.954 -7.841 375 HE3 TRP 53 3HE TRP 53 0.465 7.367 -6.893 376 HZ2 TRP 53 2HZ TRP 53 2.890 11.702 -7.330 377 HZ3 TRP 53 3HZ TRP 53 -0.698 9.514 -6.591 378 HH2 TRP 53 2HH TRP 53 0.492 11.636 -6.804 379 H SER 54 HN SER 54 1.501 3.624 -10.312 380 HA SER 54 HA SER 54 -1.002 5.094 -9.886 381 HB2 SER 54 2HB SER 54 -1.319 4.345 -12.475 382 HB3 SER 54 3HB SER 54 -0.742 5.937 -11.982 383 HG SER 54 HG SER 54 0.701 3.747 -12.982 384 H CYS 55 HN CYS 55 -2.393 3.715 -9.028 385 HA CYS 55 HA CYS 55 -2.103 0.856 -9.487 386 HB2 CYS 55 2HB CYS 55 -3.463 0.532 -7.614 387 HB3 CYS 55 3HB CYS 55 -2.566 1.993 -7.210 388 H HIS 56 HN HIS 56 -4.430 -0.276 -9.504 389 HA HIS 56 HA HIS 56 -5.585 0.493 -12.031 390 HB2 HIS 56 2HB HIS 56 -5.615 -1.869 -10.292 391 HB3 HIS 56 3HB HIS 56 -7.156 -1.552 -11.082 392 HD1 HIS 56 1HD HIS 56 -4.183 -0.563 -13.017 393 HD2 HIS 56 2HD HIS 56 -6.615 -3.908 -12.629 394 HE1 HIS 56 1HE HIS 56 -3.656 -2.011 -15.004 395 H TYR 57 HN TYR 57 -6.715 0.216 -8.676 396 HA TYR 57 HA TYR 57 -9.359 1.064 -9.177 397 HB2 TYR 57 2HB TYR 57 -7.970 1.550 -6.560 398 HB3 TYR 57 3HB TYR 57 -9.644 1.097 -6.856 399 HD1 TYR 57 1HD TYR 57 -6.831 -0.089 -5.414 400 HD2 TYR 57 2HD TYR 57 -9.629 -1.255 -8.400 401 HE1 TYR 57 1HE TYR 57 -6.256 -2.448 -5.024 402 HE2 TYR 57 2HE TYR 57 -9.063 -3.616 -8.017 403 HH TYR 57 HH TYR 57 -7.068 -4.907 -7.116 404 H CYS 58 HN CYS 58 -6.515 2.751 -9.443 405 HA CYS 58 HA CYS 58 -6.982 5.238 -8.319 406 HB2 CYS 58 2HB CYS 58 -5.367 4.215 -10.579 407 HB3 CYS 58 3HB CYS 58 -5.704 5.943 -10.598 408 H ASP 59 HN ASP 59 -7.832 4.153 -11.604 409 HA ASP 59 HA ASP 59 -9.812 6.336 -11.706 410 HB2 ASP 59 2HB ASP 59 -8.604 5.010 -14.129 411 HB3 ASP 59 3HB ASP 59 -9.478 6.538 -14.040 412 H ASN 60 HN ASN 60 -11.793 5.894 -12.857 413 HA ASN 60 HA ASN 60 -12.442 3.111 -13.386 414 HB2 ASN 60 2HB ASN 60 -13.503 4.664 -11.072 415 HB3 ASN 60 3HB ASN 60 -14.619 3.606 -11.933 416 HD21 ASN 60 1HD2 ASN 60 -11.556 3.711 -10.214 417 HD22 ASN 60 2HD2 ASN 60 -11.568 2.056 -9.716 Start of MODEL 13 1 H1 GLU 1 HN GLU 1 2.989 4.605 5.173 2 HA GLU 1 HA GLU 1 0.878 3.130 4.025 3 HB2 GLU 1 2HB GLU 1 1.397 3.057 1.747 4 HB3 GLU 1 3HB GLU 1 1.544 4.762 2.149 5 HG2 GLU 1 2HG GLU 1 4.043 4.224 2.502 6 HG3 GLU 1 3HG GLU 1 3.693 2.771 1.566 7 H MET 2 HN MET 2 1.296 1.094 4.550 8 HA MET 2 HA MET 2 4.026 0.073 4.336 9 HB2 MET 2 2HB MET 2 2.439 -0.551 6.805 10 HB3 MET 2 3HB MET 2 4.169 -0.707 6.535 11 HG2 MET 2 2HG MET 2 4.012 1.911 6.274 12 HG3 MET 2 3HG MET 2 2.566 1.683 7.254 13 HE1 MET 2 1HE MET 2 6.232 1.760 6.897 14 HE2 MET 2 2HE MET 2 6.915 1.404 8.484 15 HE3 MET 2 3HE MET 2 6.395 0.086 7.432 16 H CYS 3 HN CYS 3 3.807 -1.563 2.959 17 HA CYS 3 HA CYS 3 1.656 -2.896 2.085 18 HB2 CYS 3 2HB CYS 3 3.986 -3.295 1.315 19 HB3 CYS 3 3HB CYS 3 4.267 -4.270 2.755 20 H ASP 4 HN ASP 4 0.082 -4.098 2.907 21 HA ASP 4 HA ASP 4 0.030 -4.803 5.662 22 HB2 ASP 4 2HB ASP 4 -1.917 -4.302 3.934 23 HB3 ASP 4 3HB ASP 4 -1.862 -6.049 3.719 24 H VAL 5 HN VAL 5 1.693 -6.180 3.213 25 HA VAL 5 HA VAL 5 1.496 -8.877 4.391 26 HB VAL 5 HB VAL 5 2.247 -8.148 1.556 27 HG11 VAL 5 1HG1 VAL 5 1.994 -10.736 1.360 28 HG12 VAL 5 2HG1 VAL 5 3.504 -10.042 1.952 29 HG13 VAL 5 3HG1 VAL 5 2.333 -10.709 3.091 30 HG21 VAL 5 1HG2 VAL 5 -0.226 -9.348 2.773 31 HG22 VAL 5 2HG2 VAL 5 -0.090 -7.922 1.745 32 HG23 VAL 5 3HG2 VAL 5 0.168 -9.527 1.063 33 H CYS 6 HN CYS 6 3.373 -6.201 4.295 34 HA CYS 6 HA CYS 6 5.750 -7.718 5.028 35 HB2 CYS 6 2HB CYS 6 5.812 -5.542 2.925 36 HB3 CYS 6 3HB CYS 6 7.217 -6.365 3.595 37 H GLU 7 HN GLU 7 4.284 -4.511 4.639 38 HA GLU 7 HA GLU 7 4.125 -2.774 6.122 39 HB2 GLU 7 2HB GLU 7 5.840 -4.274 8.083 40 HB3 GLU 7 3HB GLU 7 4.617 -3.053 8.405 41 HG2 GLU 7 2HG GLU 7 2.907 -4.529 8.296 42 HG3 GLU 7 3HG GLU 7 3.707 -5.537 7.090 43 H VAL 8 HN VAL 8 6.195 -3.060 4.149 44 HA VAL 8 HA VAL 8 8.345 -1.487 5.416 45 HB VAL 8 HB VAL 8 9.299 -2.443 2.953 46 HG11 VAL 8 1HG1 VAL 8 9.875 -2.860 5.834 47 HG12 VAL 8 2HG1 VAL 8 10.634 -3.956 4.677 48 HG13 VAL 8 3HG1 VAL 8 10.904 -2.217 4.555 49 HG21 VAL 8 1HG2 VAL 8 7.424 -4.096 3.094 50 HG22 VAL 8 2HG2 VAL 8 9.033 -4.815 3.035 51 HG23 VAL 8 3HG2 VAL 8 8.165 -4.721 4.567 52 H TRP 9 HN TRP 9 8.751 0.489 4.624 53 HA TRP 9 HA TRP 9 7.296 1.305 2.197 54 HB2 TRP 9 2HB TRP 9 6.417 2.831 3.607 55 HB3 TRP 9 3HB TRP 9 7.669 2.565 4.817 56 HD1 TRP 9 1HD TRP 9 9.563 4.337 4.986 57 HE1 TRP 9 1HE TRP 9 10.101 6.520 3.732 58 HE3 TRP 9 3HE TRP 9 6.219 3.912 1.142 59 HZ2 TRP 9 2HZ TRP 9 9.223 7.882 1.421 60 HZ3 TRP 9 3HZ TRP 9 6.131 5.698 -0.548 61 HH2 TRP 9 2HH TRP 9 7.603 7.641 -0.409 62 H THR 10 HN THR 10 8.336 3.070 0.942 63 HA THR 10 HA THR 10 11.160 3.482 1.205 64 HB THR 10 HB THR 10 11.640 2.531 -1.124 65 HG1 THR 10 1HG THR 10 10.012 0.505 -1.102 66 HG21 THR 10 1HG2 THR 10 12.265 1.558 1.192 67 HG22 THR 10 2HG2 THR 10 12.388 0.516 -0.224 68 HG23 THR 10 3HG2 THR 10 11.004 0.373 0.859 69 H ALA 11 HN ALA 11 11.670 5.399 0.346 70 HA ALA 11 HA ALA 11 9.795 7.145 -0.704 71 HB1 ALA 11 1HB ALA 11 11.650 8.219 0.117 72 HB2 ALA 11 2HB ALA 11 12.776 7.106 -0.663 73 HB3 ALA 11 3HB ALA 11 11.944 8.332 -1.619 74 H GLU 12 HN GLU 12 11.969 4.929 -2.368 75 HA GLU 12 HA GLU 12 12.028 5.673 -4.926 76 HB2 GLU 12 2HB GLU 12 11.627 3.027 -3.650 77 HB3 GLU 12 3HB GLU 12 11.323 3.116 -5.379 78 HG2 GLU 12 2HG GLU 12 13.531 3.745 -5.849 79 HG3 GLU 12 3HG GLU 12 13.864 4.141 -4.163 80 H SER 13 HN SER 13 9.532 3.263 -4.491 81 HA SER 13 HA SER 13 7.333 4.976 -5.091 82 HB2 SER 13 2HB SER 13 8.590 4.793 -7.310 83 HB3 SER 13 3HB SER 13 8.102 3.098 -7.326 84 HG SER 13 HG SER 13 6.282 3.773 -8.103 85 H LEU 14 HN LEU 14 5.992 4.021 -3.691 86 HA LEU 14 HA LEU 14 5.744 1.092 -3.749 87 HB2 LEU 14 2HB LEU 14 5.921 2.959 -1.630 88 HB3 LEU 14 3HB LEU 14 4.300 2.268 -1.589 89 HG LEU 14 HG LEU 14 6.895 0.733 -1.465 90 HD11 LEU 14 1HD1 LEU 14 6.271 0.253 0.818 91 HD12 LEU 14 2HD1 LEU 14 4.783 1.182 0.638 92 HD13 LEU 14 3HD1 LEU 14 6.345 1.998 0.576 93 HD21 LEU 14 1HD2 LEU 14 5.230 -1.129 -0.831 94 HD22 LEU 14 2HD2 LEU 14 5.429 -0.719 -2.535 95 HD23 LEU 14 3HD2 LEU 14 4.030 -0.122 -1.641 96 H PHE 15 HN PHE 15 3.744 0.112 -3.959 97 HA PHE 15 HA PHE 15 1.676 1.808 -5.148 98 HB2 PHE 15 2HB PHE 15 2.138 -1.176 -5.196 99 HB3 PHE 15 3HB PHE 15 0.692 -0.418 -5.853 100 HD1 PHE 15 1HD PHE 15 4.404 -0.252 -6.096 101 HD2 PHE 15 2HD PHE 15 0.661 0.215 -8.068 102 HE1 PHE 15 1HE PHE 15 5.577 0.126 -8.224 103 HE2 PHE 15 2HE PHE 15 1.828 0.593 -10.200 104 HZ PHE 15 HZ PHE 15 4.289 0.548 -10.281 105 HA PRO 16 HA PRO 16 -0.521 1.171 -5.806 106 HB2 PRO 16 2HB PRO 16 -2.591 2.847 -5.282 107 HB3 PRO 16 3HB PRO 16 -2.750 1.086 -5.258 108 HG2 PRO 16 2HG PRO 16 -2.396 2.987 -2.972 109 HG3 PRO 16 3HG PRO 16 -3.476 1.588 -3.107 110 HD2 PRO 16 2HD PRO 16 -1.127 1.490 -1.766 111 HD3 PRO 16 3HD PRO 16 -1.799 0.085 -2.619 112 H CYS 17 HN CYS 17 -0.698 3.739 -3.328 113 HA CYS 17 HA CYS 17 1.392 5.266 -4.470 114 HB2 CYS 17 2HB CYS 17 -0.283 7.242 -4.996 115 HB3 CYS 17 3HB CYS 17 0.097 6.029 -6.214 116 H ARG 18 HN ARG 18 -1.419 6.981 -3.390 117 HA ARG 18 HA ARG 18 -0.537 6.997 -0.615 118 HB2 ARG 18 2HB ARG 18 0.069 9.196 -0.474 119 HB3 ARG 18 3HB ARG 18 0.563 8.879 -2.131 120 HG2 ARG 18 2HG ARG 18 -2.089 10.072 -1.356 121 HG3 ARG 18 3HG ARG 18 -0.670 11.009 -1.825 122 HD2 ARG 18 2HD ARG 18 -1.289 8.894 -3.720 123 HD3 ARG 18 3HD ARG 18 -2.623 10.027 -3.515 124 HE ARG 18 HE ARG 18 -0.112 10.531 -4.796 125 HH11 ARG 18 1HH1 ARG 18 -2.756 11.987 -3.062 126 HH12 ARG 18 2HH1 ARG 18 -2.509 13.560 -3.747 127 HH21 ARG 18 1HH2 ARG 18 0.224 12.596 -5.703 128 HH22 ARG 18 2HH2 ARG 18 -0.813 13.905 -5.249 129 H VAL 19 HN VAL 19 -2.840 8.010 -3.069 130 HA VAL 19 HA VAL 19 -4.875 8.527 -1.035 131 HB VAL 19 HB VAL 19 -6.285 9.193 -3.021 132 HG11 VAL 19 1HG1 VAL 19 -4.451 11.174 -3.488 133 HG12 VAL 19 2HG1 VAL 19 -5.591 11.131 -2.141 134 HG13 VAL 19 3HG1 VAL 19 -3.942 10.545 -1.921 135 HG21 VAL 19 1HG2 VAL 19 -4.116 9.715 -4.805 136 HG22 VAL 19 2HG2 VAL 19 -4.158 7.992 -4.432 137 HG23 VAL 19 3HG2 VAL 19 -5.587 8.787 -5.090 138 H CYS 20 HN CYS 20 -4.088 6.283 -3.615 139 HA CYS 20 HA CYS 20 -6.459 4.938 -3.966 140 HB2 CYS 20 2HB CYS 20 -3.590 4.122 -4.100 141 HB3 CYS 20 3HB CYS 20 -4.820 2.864 -4.183 142 H THR 21 HN THR 21 -6.567 2.445 -3.225 143 HA THR 21 HA THR 21 -7.394 2.499 -0.539 144 HB THR 21 HB THR 21 -7.956 0.227 -0.761 145 HG1 THR 21 1HG THR 21 -6.971 -1.043 -2.505 146 HG21 THR 21 1HG2 THR 21 -8.048 0.817 -3.666 147 HG22 THR 21 2HG2 THR 21 -8.825 1.976 -2.588 148 HG23 THR 21 3HG2 THR 21 -9.328 0.286 -2.577 149 H ARG 22 HN ARG 22 -6.364 -0.120 0.256 150 HA ARG 22 HA ARG 22 -4.293 0.623 1.923 151 HB2 ARG 22 2HB ARG 22 -5.333 -1.986 0.933 152 HB3 ARG 22 3HB ARG 22 -3.780 -1.986 1.758 153 HG2 ARG 22 2HG ARG 22 -5.501 -0.431 3.336 154 HG3 ARG 22 3HG ARG 22 -6.416 -1.862 2.858 155 HD2 ARG 22 2HD ARG 22 -5.210 -2.224 4.956 156 HD3 ARG 22 3HD ARG 22 -4.636 -3.298 3.682 157 HE ARG 22 HE ARG 22 -2.589 -2.263 3.768 158 HH11 ARG 22 1HH1 ARG 22 -4.928 -0.363 5.513 159 HH12 ARG 22 2HH1 ARG 22 -3.747 0.709 6.189 160 HH21 ARG 22 1HH2 ARG 22 -1.025 -0.857 4.652 161 HH22 ARG 22 2HH2 ARG 22 -1.527 0.428 5.697 162 H VAL 23 HN VAL 23 -2.143 -0.919 1.789 163 HA VAL 23 HA VAL 23 -0.893 -0.243 -0.795 164 HB VAL 23 HB VAL 23 0.236 1.170 0.624 165 HG11 VAL 23 1HG1 VAL 23 -0.473 -0.820 2.689 166 HG12 VAL 23 2HG1 VAL 23 1.011 0.098 2.959 167 HG13 VAL 23 3HG1 VAL 23 -0.524 0.941 2.743 168 HG21 VAL 23 1HG2 VAL 23 2.018 -1.065 1.362 169 HG22 VAL 23 2HG2 VAL 23 1.656 -0.893 -0.356 170 HG23 VAL 23 3HG2 VAL 23 2.379 0.449 0.532 171 H PHE 24 HN PHE 24 0.291 -1.777 -1.817 172 HA PHE 24 HA PHE 24 1.046 -4.216 -0.432 173 HB2 PHE 24 2HB PHE 24 -0.107 -5.150 -2.825 174 HB3 PHE 24 3HB PHE 24 -0.669 -5.439 -1.181 175 HD1 PHE 24 1HD PHE 24 -2.650 -4.456 -0.380 176 HD2 PHE 24 2HD PHE 24 -1.005 -3.200 -4.099 177 HE1 PHE 24 1HE PHE 24 -4.712 -3.202 -0.865 178 HE2 PHE 24 2HE PHE 24 -3.064 -1.944 -4.590 179 HZ PHE 24 HZ PHE 24 -4.920 -1.943 -2.972 180 H HIS 25 HN HIS 25 2.526 -5.538 -1.649 181 HA HIS 25 HA HIS 25 4.201 -3.935 -3.392 182 HB2 HIS 25 2HB HIS 25 4.556 -6.679 -2.178 183 HB3 HIS 25 3HB HIS 25 5.738 -5.931 -3.248 184 HD2 HIS 25 2HD HIS 25 4.716 -3.048 -1.252 185 HE1 HIS 25 1HE HIS 25 7.603 -4.977 1.187 186 HE2 HIS 25 2HE HIS 25 6.224 -2.897 0.844 187 H ASP 26 HN ASP 26 5.242 -5.165 -5.292 188 HA ASP 26 HA ASP 26 3.101 -5.944 -7.056 189 HB2 ASP 26 2HB ASP 26 5.051 -4.495 -7.735 190 HB3 ASP 26 3HB ASP 26 6.066 -5.933 -7.642 191 H GLY 27 HN GLY 27 5.597 -7.526 -5.225 192 HA2 GLY 27 1HA GLY 27 5.239 -10.045 -6.651 193 HA3 GLY 27 2HA GLY 27 6.386 -9.736 -5.357 194 H CYS 28 HN CYS 28 4.315 -8.546 -3.630 195 HA CYS 28 HA CYS 28 3.559 -10.866 -2.230 196 HB2 CYS 28 2HB CYS 28 2.831 -7.964 -2.025 197 HB3 CYS 28 3HB CYS 28 1.965 -9.152 -1.058 198 H LEU 29 HN LEU 29 1.376 -8.474 -3.732 199 HA LEU 29 HA LEU 29 -0.971 -9.853 -3.597 200 HB2 LEU 29 2HB LEU 29 -0.101 -8.259 -6.000 201 HB3 LEU 29 3HB LEU 29 -1.755 -8.565 -5.470 202 HG LEU 29 HG LEU 29 0.241 -6.959 -3.881 203 HD11 LEU 29 1HD1 LEU 29 -1.459 -5.107 -4.733 204 HD12 LEU 29 2HD1 LEU 29 -1.559 -6.201 -6.112 205 HD13 LEU 29 3HD1 LEU 29 -0.001 -5.529 -5.630 206 HD21 LEU 29 1HD2 LEU 29 -2.492 -7.896 -3.456 207 HD22 LEU 29 2HD2 LEU 29 -2.292 -6.160 -3.216 208 HD23 LEU 29 3HD2 LEU 29 -1.303 -7.297 -2.299 209 H ARG 30 HN ARG 30 1.539 -10.192 -6.071 210 HA ARG 30 HA ARG 30 0.150 -12.021 -7.707 211 HB2 ARG 30 2HB ARG 30 2.783 -10.861 -7.583 212 HB3 ARG 30 3HB ARG 30 2.904 -12.583 -7.918 213 HG2 ARG 30 2HG ARG 30 1.525 -12.372 -9.860 214 HG3 ARG 30 3HG ARG 30 1.158 -10.689 -9.472 215 HD2 ARG 30 2HD ARG 30 3.357 -9.992 -9.953 216 HD3 ARG 30 3HD ARG 30 3.966 -11.647 -9.943 217 HE ARG 30 HE ARG 30 2.690 -10.279 -12.128 218 HH11 ARG 30 1HH1 ARG 30 3.464 -13.374 -10.736 219 HH12 ARG 30 2HH1 ARG 30 3.371 -14.222 -12.244 220 HH21 ARG 30 1HH2 ARG 30 2.564 -11.384 -14.120 221 HH22 ARG 30 2HH2 ARG 30 2.860 -13.089 -14.168 222 H ARG 31 HN ARG 31 2.698 -12.590 -5.276 223 HA ARG 31 HA ARG 31 2.448 -15.422 -5.384 224 HB2 ARG 31 2HB ARG 31 4.051 -13.466 -3.948 225 HB3 ARG 31 3HB ARG 31 3.575 -14.808 -2.915 226 HG2 ARG 31 2HG ARG 31 4.730 -15.348 -5.615 227 HG3 ARG 31 3HG ARG 31 5.787 -14.932 -4.263 228 HD2 ARG 31 2HD ARG 31 4.121 -16.820 -3.171 229 HD3 ARG 31 3HD ARG 31 4.329 -17.400 -4.822 230 HE ARG 31 HE ARG 31 6.368 -18.131 -4.142 231 HH11 ARG 31 1HH1 ARG 31 5.612 -15.228 -2.375 232 HH12 ARG 31 2HH1 ARG 31 7.111 -15.210 -1.507 233 HH21 ARG 31 1HH2 ARG 31 8.345 -18.118 -3.005 234 HH22 ARG 31 2HH2 ARG 31 8.666 -16.854 -1.867 235 H MET 32 HN MET 32 0.399 -13.126 -4.169 236 HA MET 32 HA MET 32 -0.633 -14.929 -2.082 237 HB2 MET 32 2HB MET 32 -0.779 -11.945 -2.417 238 HB3 MET 32 3HB MET 32 -1.914 -12.798 -1.380 239 HG2 MET 32 2HG MET 32 0.446 -13.801 -0.505 240 HG3 MET 32 3HG MET 32 0.916 -12.167 -0.968 241 HE1 MET 32 1HE MET 32 -0.100 -14.436 1.351 242 HE2 MET 32 2HE MET 32 -0.187 -13.454 2.814 243 HE3 MET 32 3HE MET 32 -1.669 -13.961 2.002 244 H GLY 33 HN GLY 33 -1.118 -14.158 -5.220 245 HA2 GLY 33 1HA GLY 33 -2.863 -14.467 -6.677 246 HA3 GLY 33 2HA GLY 33 -3.616 -15.420 -5.408 247 H TYR 34 HN TYR 34 -2.832 -12.168 -4.637 248 HA TYR 34 HA TYR 34 -5.558 -11.519 -4.140 249 HB2 TYR 34 2HB TYR 34 -2.939 -10.162 -3.846 250 HB3 TYR 34 3HB TYR 34 -4.348 -9.117 -3.984 251 HD1 TYR 34 1HD TYR 34 -6.408 -10.573 -2.534 252 HD2 TYR 34 2HD TYR 34 -2.277 -10.114 -1.625 253 HE1 TYR 34 1HE TYR 34 -6.900 -10.920 -0.150 254 HE2 TYR 34 2HE TYR 34 -2.758 -10.461 0.762 255 HH TYR 34 HH TYR 34 -4.517 -11.549 2.146 256 H ILE 35 HN ILE 35 -3.417 -11.084 -6.826 257 HA ILE 35 HA ILE 35 -5.574 -10.176 -8.487 258 HB ILE 35 HB ILE 35 -4.441 -8.106 -9.255 259 HG12 ILE 35 2HG1 ILE 35 -2.889 -7.414 -7.033 260 HG13 ILE 35 3HG1 ILE 35 -2.412 -9.064 -7.417 261 HG21 ILE 35 1HG2 ILE 35 -6.286 -8.186 -7.526 262 HG22 ILE 35 2HG2 ILE 35 -5.029 -7.958 -6.311 263 HG23 ILE 35 3HG2 ILE 35 -5.298 -6.725 -7.542 264 HD11 ILE 35 1HD1 ILE 35 -1.026 -8.145 -8.889 265 HD12 ILE 35 2HD1 ILE 35 -2.456 -7.840 -9.875 266 HD13 ILE 35 3HD1 ILE 35 -1.839 -6.582 -8.805 267 H GLN 36 HN GLN 36 -4.572 -9.522 -10.745 268 HA GLN 36 HA GLN 36 -2.144 -10.988 -11.363 269 HB2 GLN 36 2HB GLN 36 -4.734 -12.144 -11.742 270 HB3 GLN 36 3HB GLN 36 -4.016 -11.836 -13.317 271 HG2 GLN 36 2HG GLN 36 -2.601 -13.309 -11.112 272 HG3 GLN 36 3HG GLN 36 -3.574 -14.101 -12.351 273 HE21 GLN 36 1HE2 GLN 36 -1.295 -15.093 -12.491 274 HE22 GLN 36 2HE2 GLN 36 -0.250 -14.383 -13.670 275 H GLY 37 HN GLY 37 -1.004 -9.843 -12.778 276 HA2 GLY 37 1HA GLY 37 -0.762 -8.782 -14.911 277 HA3 GLY 37 2HA GLY 37 -2.436 -8.260 -14.802 278 H ASP 38 HN ASP 38 -2.769 -6.205 -14.291 279 HA ASP 38 HA ASP 38 -2.411 -4.063 -13.613 280 HB2 ASP 38 2HB ASP 38 -0.922 -5.632 -11.530 281 HB3 ASP 38 3HB ASP 38 -0.872 -3.871 -11.518 282 H SER 39 HN SER 39 -0.515 -5.480 -15.509 283 HA SER 39 HA SER 39 1.460 -5.109 -16.597 284 HB2 SER 39 2HB SER 39 1.371 -3.077 -17.565 285 HB3 SER 39 3HB SER 39 -0.029 -2.777 -16.535 286 HG SER 39 HG SER 39 2.025 -1.329 -16.532 287 H ALA 40 HN ALA 40 3.534 -3.377 -16.316 288 HA ALA 40 HA ALA 40 4.438 -3.387 -13.557 289 HB1 ALA 40 1HB ALA 40 5.326 -5.367 -15.531 290 HB2 ALA 40 2HB ALA 40 6.628 -4.543 -14.672 291 HB3 ALA 40 3HB ALA 40 5.386 -5.411 -13.769 292 H ALA 41 HN ALA 41 6.321 -2.117 -13.210 293 HA ALA 41 HA ALA 41 7.324 -0.595 -15.500 294 HB1 ALA 41 1HB ALA 41 7.109 1.514 -14.115 295 HB2 ALA 41 2HB ALA 41 5.610 0.849 -14.764 296 HB3 ALA 41 3HB ALA 41 6.022 0.602 -13.067 297 H GLU 42 HN GLU 42 7.813 0.538 -12.270 298 HA GLU 42 HA GLU 42 9.717 0.798 -11.041 299 HB2 GLU 42 2HB GLU 42 10.639 -1.938 -11.746 300 HB3 GLU 42 3HB GLU 42 10.532 -1.158 -10.174 301 HG2 GLU 42 2HG GLU 42 7.956 -1.343 -10.600 302 HG3 GLU 42 3HG GLU 42 8.448 -2.621 -11.710 303 H VAL 43 HN VAL 43 9.864 1.443 -13.901 304 HA VAL 43 HA VAL 43 12.707 0.908 -14.438 305 HB VAL 43 HB VAL 43 10.578 0.609 -16.129 306 HG11 VAL 43 1HG1 VAL 43 10.304 3.087 -16.171 307 HG12 VAL 43 2HG1 VAL 43 11.902 3.202 -16.912 308 HG13 VAL 43 3HG1 VAL 43 10.595 2.367 -17.754 309 HG21 VAL 43 1HG2 VAL 43 12.350 -0.454 -16.990 310 HG22 VAL 43 2HG2 VAL 43 12.656 1.049 -17.861 311 HG23 VAL 43 3HG2 VAL 43 13.489 0.726 -16.340 312 H THR 44 HN THR 44 10.423 3.369 -13.674 313 HA THR 44 HA THR 44 12.445 5.295 -13.184 314 HB THR 44 HB THR 44 11.989 5.275 -15.802 315 HG1 THR 44 1HG THR 44 13.421 6.742 -15.057 316 HG21 THR 44 1HG2 THR 44 10.240 6.581 -16.558 317 HG22 THR 44 2HG2 THR 44 10.060 7.418 -15.016 318 HG23 THR 44 3HG2 THR 44 9.490 5.759 -15.190 319 H GLU 45 HN GLU 45 11.436 7.488 -12.662 320 HA GLU 45 HA GLU 45 9.834 8.786 -11.657 321 HB2 GLU 45 2HB GLU 45 8.291 7.151 -13.210 322 HB3 GLU 45 3HB GLU 45 7.701 6.762 -11.600 323 HG2 GLU 45 2HG GLU 45 7.976 9.618 -12.007 324 HG3 GLU 45 3HG GLU 45 6.896 8.870 -13.182 325 H MET 46 HN MET 46 8.576 8.836 -9.591 326 HA MET 46 HA MET 46 9.484 6.722 -7.752 327 HB2 MET 46 2HB MET 46 9.192 9.625 -6.992 328 HB3 MET 46 3HB MET 46 9.951 8.339 -6.066 329 HG2 MET 46 2HG MET 46 11.708 8.180 -7.788 330 HG3 MET 46 3HG MET 46 10.966 9.540 -8.629 331 HE1 MET 46 1HE MET 46 14.158 9.306 -5.965 332 HE2 MET 46 2HE MET 46 12.956 9.211 -4.678 333 HE3 MET 46 3HE MET 46 12.891 8.080 -6.031 334 H ALA 47 HN ALA 47 8.055 8.634 -5.723 335 HA ALA 47 HA ALA 47 5.548 7.200 -5.807 336 HB1 ALA 47 1HB ALA 47 5.123 8.140 -3.643 337 HB2 ALA 47 2HB ALA 47 6.801 7.596 -3.694 338 HB3 ALA 47 3HB ALA 47 6.425 9.313 -3.846 339 H HIS 48 HN HIS 48 6.450 10.652 -5.661 340 HA HIS 48 HA HIS 48 4.401 11.342 -7.558 341 HB2 HIS 48 2HB HIS 48 4.060 12.846 -5.030 342 HB3 HIS 48 3HB HIS 48 2.858 12.350 -6.218 343 HD1 HIS 48 1HD HIS 48 1.801 10.001 -5.926 344 HD2 HIS 48 2HD HIS 48 4.483 11.053 -2.934 345 HE1 HIS 48 1HE HIS 48 1.443 8.328 -4.084 346 H THR 49 HN THR 49 6.246 12.127 -8.664 347 HA THR 49 HA THR 49 7.284 14.663 -7.576 348 HB THR 49 HB THR 49 9.324 14.160 -9.071 349 HG1 THR 49 1HG THR 49 8.063 12.191 -9.896 350 HG21 THR 49 1HG2 THR 49 10.430 12.930 -7.286 351 HG22 THR 49 2HG2 THR 49 8.867 12.463 -6.614 352 HG23 THR 49 3HG2 THR 49 9.361 14.155 -6.604 353 H GLU 50 HN GLU 50 5.632 13.108 -10.085 354 HA GLU 50 HA GLU 50 5.548 15.584 -11.610 355 HB2 GLU 50 2HB GLU 50 7.081 13.304 -12.448 356 HB3 GLU 50 3HB GLU 50 5.741 13.546 -13.561 357 HG2 GLU 50 2HG GLU 50 6.438 15.882 -13.863 358 HG3 GLU 50 3HG GLU 50 7.808 15.594 -12.793 359 H THR 51 HN THR 51 4.513 12.173 -11.673 360 HA THR 51 HA THR 51 1.740 13.092 -11.937 361 HB THR 51 HB THR 51 1.854 10.739 -13.449 362 HG1 THR 51 1HG THR 51 3.728 12.520 -14.576 363 HG21 THR 51 1HG2 THR 51 1.308 13.606 -13.891 364 HG22 THR 51 2HG2 THR 51 0.326 12.192 -14.274 365 HG23 THR 51 3HG2 THR 51 1.655 12.657 -15.335 366 H GLY 52 HN GLY 52 0.385 10.789 -12.022 367 HA2 GLY 52 1HA GLY 52 1.094 9.550 -9.453 368 HA3 GLY 52 2HA GLY 52 -0.505 9.556 -10.182 369 H TRP 53 HN TRP 53 0.860 7.273 -9.146 370 HA TRP 53 HA TRP 53 1.646 5.770 -11.527 371 HB2 TRP 53 2HB TRP 53 2.714 5.773 -9.040 372 HB3 TRP 53 3HB TRP 53 1.595 4.420 -8.894 373 HD1 TRP 53 1HD TRP 53 1.883 2.577 -11.098 374 HE1 TRP 53 1HE TRP 53 4.101 1.624 -11.992 375 HE3 TRP 53 3HE TRP 53 5.086 6.122 -9.278 376 HZ2 TRP 53 2HZ TRP 53 6.843 2.286 -11.933 377 HZ3 TRP 53 3HZ TRP 53 7.490 5.889 -9.741 378 HH2 TRP 53 2HH TRP 53 8.349 4.009 -11.040 379 H SER 54 HN SER 54 0.657 3.796 -12.104 380 HA SER 54 HA SER 54 -2.189 3.763 -11.641 381 HB2 SER 54 2HB SER 54 -1.415 1.443 -13.064 382 HB3 SER 54 3HB SER 54 -2.144 2.913 -13.712 383 HG SER 54 HG SER 54 0.492 2.065 -13.753 384 H CYS 55 HN CYS 55 -3.387 2.028 -10.782 385 HA CYS 55 HA CYS 55 -1.981 -0.117 -9.424 386 HB2 CYS 55 2HB CYS 55 -3.851 1.541 -7.760 387 HB3 CYS 55 3HB CYS 55 -2.616 0.401 -7.234 388 H HIS 56 HN HIS 56 -4.165 -0.835 -7.743 389 HA HIS 56 HA HIS 56 -5.778 -2.229 -9.640 390 HB2 HIS 56 2HB HIS 56 -5.132 -3.161 -7.424 391 HB3 HIS 56 3HB HIS 56 -6.178 -1.973 -6.652 392 HD1 HIS 56 1HD HIS 56 -6.439 -5.208 -6.687 393 HD2 HIS 56 2HD HIS 56 -8.752 -2.446 -8.758 394 HE1 HIS 56 1HE HIS 56 -8.614 -6.376 -7.165 395 H TYR 57 HN TYR 57 -6.863 -0.150 -6.954 396 HA TYR 57 HA TYR 57 -9.320 0.438 -8.342 397 HB2 TYR 57 2HB TYR 57 -8.238 1.504 -5.726 398 HB3 TYR 57 3HB TYR 57 -9.870 1.757 -6.332 399 HD1 TYR 57 1HD TYR 57 -7.494 -0.920 -5.313 400 HD2 TYR 57 2HD TYR 57 -11.559 0.220 -5.839 401 HE1 TYR 57 1HE TYR 57 -8.213 -3.005 -4.225 402 HE2 TYR 57 2HE TYR 57 -12.290 -1.862 -4.752 403 HH TYR 57 HH TYR 57 -10.525 -3.672 -2.872 404 H CYS 58 HN CYS 58 -6.216 1.746 -8.305 405 HA CYS 58 HA CYS 58 -6.290 4.414 -8.339 406 HB2 CYS 58 2HB CYS 58 -4.573 2.545 -9.387 407 HB3 CYS 58 3HB CYS 58 -5.081 3.425 -10.825 408 H ASP 59 HN ASP 59 -6.951 2.645 -11.366 409 HA ASP 59 HA ASP 59 -8.220 4.923 -12.546 410 HB2 ASP 59 2HB ASP 59 -7.432 2.226 -13.389 411 HB3 ASP 59 3HB ASP 59 -8.922 2.796 -14.137 412 H ASN 60 HN ASN 60 -10.292 5.501 -12.466 413 HA ASN 60 HA ASN 60 -12.209 3.604 -11.289 414 HB2 ASN 60 2HB ASN 60 -12.785 5.287 -9.937 415 HB3 ASN 60 3HB ASN 60 -11.644 6.355 -10.749 416 HD21 ASN 60 1HD2 ASN 60 -14.771 6.010 -9.901 417 HD22 ASN 60 2HD2 ASN 60 -15.519 7.013 -11.092 Start of MODEL 14 1 H1 GLU 1 HN GLU 1 1.966 4.559 5.623 2 HA GLU 1 HA GLU 1 0.421 2.526 4.371 3 HB2 GLU 1 2HB GLU 1 2.263 4.671 3.497 4 HB3 GLU 1 3HB GLU 1 2.098 3.305 2.403 5 HG2 GLU 1 2HG GLU 1 0.367 4.451 1.586 6 HG3 GLU 1 3HG GLU 1 -0.497 3.812 2.984 7 H MET 2 HN MET 2 1.432 0.786 5.760 8 HA MET 2 HA MET 2 3.954 -0.187 4.603 9 HB2 MET 2 2HB MET 2 2.822 -1.549 6.969 10 HB3 MET 2 3HB MET 2 4.487 -1.110 6.610 11 HG2 MET 2 2HG MET 2 3.395 1.332 6.985 12 HG3 MET 2 3HG MET 2 2.415 0.358 8.080 13 HE1 MET 2 1HE MET 2 6.530 -0.527 7.622 14 HE2 MET 2 2HE MET 2 5.840 0.826 6.725 15 HE3 MET 2 3HE MET 2 6.876 1.130 8.120 16 H CYS 3 HN CYS 3 3.884 -1.828 3.224 17 HA CYS 3 HA CYS 3 1.677 -2.996 2.164 18 HB2 CYS 3 2HB CYS 3 3.958 -3.276 1.268 19 HB3 CYS 3 3HB CYS 3 4.337 -4.372 2.593 20 H ASP 4 HN ASP 4 0.079 -4.162 2.977 21 HA ASP 4 HA ASP 4 0.060 -5.235 5.568 22 HB2 ASP 4 2HB ASP 4 -1.870 -4.672 3.802 23 HB3 ASP 4 3HB ASP 4 -1.763 -6.409 3.536 24 H VAL 5 HN VAL 5 1.596 -6.371 2.826 25 HA VAL 5 HA VAL 5 1.535 -9.159 3.765 26 HB VAL 5 HB VAL 5 2.431 -8.081 1.088 27 HG11 VAL 5 1HG1 VAL 5 3.660 -10.008 1.278 28 HG12 VAL 5 2HG1 VAL 5 2.472 -10.792 2.321 29 HG13 VAL 5 3HG1 VAL 5 2.165 -10.645 0.591 30 HG21 VAL 5 1HG2 VAL 5 0.408 -9.194 0.226 31 HG22 VAL 5 2HG2 VAL 5 -0.070 -9.571 1.882 32 HG23 VAL 5 3HG2 VAL 5 0.030 -7.891 1.354 33 H CYS 6 HN CYS 6 3.334 -6.457 4.117 34 HA CYS 6 HA CYS 6 5.704 -7.994 4.807 35 HB2 CYS 6 2HB CYS 6 5.866 -5.611 2.948 36 HB3 CYS 6 3HB CYS 6 7.229 -6.529 3.582 37 H GLU 7 HN GLU 7 4.559 -4.630 4.463 38 HA GLU 7 HA GLU 7 4.236 -3.031 6.087 39 HB2 GLU 7 2HB GLU 7 5.612 -4.734 8.137 40 HB3 GLU 7 3HB GLU 7 4.364 -3.518 8.368 41 HG2 GLU 7 2HG GLU 7 3.198 -5.462 6.747 42 HG3 GLU 7 3HG GLU 7 4.112 -6.353 7.963 43 H VAL 8 HN VAL 8 6.053 -2.402 4.476 44 HA VAL 8 HA VAL 8 8.065 -1.060 5.961 45 HB VAL 8 HB VAL 8 9.780 -2.408 4.241 46 HG11 VAL 8 1HG1 VAL 8 10.544 -1.688 6.334 47 HG12 VAL 8 2HG1 VAL 8 9.275 -2.559 7.197 48 HG13 VAL 8 3HG1 VAL 8 10.593 -3.447 6.431 49 HG21 VAL 8 1HG2 VAL 8 9.432 -4.683 4.373 50 HG22 VAL 8 2HG2 VAL 8 8.382 -4.549 5.784 51 HG23 VAL 8 3HG2 VAL 8 7.781 -4.087 4.191 52 H TRP 9 HN TRP 9 7.498 0.782 4.899 53 HA TRP 9 HA TRP 9 7.111 0.927 2.084 54 HB2 TRP 9 2HB TRP 9 6.047 2.743 2.876 55 HB3 TRP 9 3HB TRP 9 6.994 2.746 4.361 56 HD1 TRP 9 1HD TRP 9 9.287 4.178 4.348 57 HE1 TRP 9 1HE TRP 9 10.023 6.176 2.901 58 HE3 TRP 9 3HE TRP 9 5.875 3.743 0.566 59 HZ2 TRP 9 2HZ TRP 9 9.259 7.405 0.477 60 HZ3 TRP 9 3HZ TRP 9 5.945 5.370 -1.279 61 HH2 TRP 9 2HH TRP 9 7.602 7.162 -1.321 62 H THR 10 HN THR 10 8.451 1.678 0.478 63 HA THR 10 HA THR 10 11.307 1.752 1.164 64 HB THR 10 HB THR 10 11.377 1.614 -1.507 65 HG1 THR 10 1HG THR 10 9.594 0.802 -2.362 66 HG21 THR 10 1HG2 THR 10 11.871 -0.675 -1.288 67 HG22 THR 10 2HG2 THR 10 10.755 -0.873 0.064 68 HG23 THR 10 3HG2 THR 10 12.262 0.015 0.287 69 H ALA 11 HN ALA 11 10.042 3.013 -1.825 70 HA ALA 11 HA ALA 11 9.647 5.666 -1.342 71 HB1 ALA 11 1HB ALA 11 12.493 4.956 -1.123 72 HB2 ALA 11 2HB ALA 11 12.137 6.360 -2.130 73 HB3 ALA 11 3HB ALA 11 11.606 6.323 -0.449 74 H GLU 12 HN GLU 12 11.524 3.500 -3.424 75 HA GLU 12 HA GLU 12 11.577 4.843 -5.789 76 HB2 GLU 12 2HB GLU 12 10.718 1.983 -5.871 77 HB3 GLU 12 3HB GLU 12 11.925 2.815 -6.842 78 HG2 GLU 12 2HG GLU 12 13.265 2.980 -4.658 79 HG3 GLU 12 3HG GLU 12 12.166 1.738 -4.062 80 H SER 13 HN SER 13 8.824 3.091 -4.428 81 HA SER 13 HA SER 13 6.795 4.646 -5.274 82 HB2 SER 13 2HB SER 13 7.941 3.174 -7.552 83 HB3 SER 13 3HB SER 13 6.191 3.031 -7.398 84 HG SER 13 HG SER 13 7.481 5.536 -7.244 85 H LEU 14 HN LEU 14 6.050 3.696 -3.350 86 HA LEU 14 HA LEU 14 5.477 0.863 -3.275 87 HB2 LEU 14 2HB LEU 14 6.036 2.719 -1.361 88 HB3 LEU 14 3HB LEU 14 4.284 2.581 -1.218 89 HG LEU 14 HG LEU 14 6.412 0.637 -0.530 90 HD11 LEU 14 1HD1 LEU 14 4.842 0.138 1.286 91 HD12 LEU 14 2HD1 LEU 14 3.681 1.265 0.583 92 HD13 LEU 14 3HD1 LEU 14 5.225 1.857 1.198 93 HD21 LEU 14 1HD2 LEU 14 5.446 -0.775 -2.085 94 HD22 LEU 14 2HD2 LEU 14 3.835 -0.095 -1.858 95 HD23 LEU 14 3HD2 LEU 14 4.531 -1.145 -0.623 96 H PHE 15 HN PHE 15 3.597 -0.086 -3.751 97 HA PHE 15 HA PHE 15 1.451 1.525 -4.820 98 HB2 PHE 15 2HB PHE 15 2.073 -1.399 -4.717 99 HB3 PHE 15 3HB PHE 15 0.418 -0.892 -5.038 100 HD1 PHE 15 1HD PHE 15 0.138 -1.513 -7.271 101 HD2 PHE 15 2HD PHE 15 3.542 0.774 -6.131 102 HE1 PHE 15 1HE PHE 15 0.703 -1.178 -9.642 103 HE2 PHE 15 2HE PHE 15 4.112 1.113 -8.500 104 HZ PHE 15 HZ PHE 15 2.691 0.138 -10.260 105 HA PRO 16 HA PRO 16 -0.781 0.874 -5.327 106 HB2 PRO 16 2HB PRO 16 -2.798 2.642 -4.901 107 HB3 PRO 16 3HB PRO 16 -2.989 0.897 -4.690 108 HG2 PRO 16 2HG PRO 16 -2.508 3.014 -2.628 109 HG3 PRO 16 3HG PRO 16 -3.619 1.633 -2.576 110 HD2 PRO 16 2HD PRO 16 -1.221 1.621 -1.321 111 HD3 PRO 16 3HD PRO 16 -1.952 0.151 -1.999 112 H CYS 17 HN CYS 17 -1.380 3.034 -6.575 113 HA CYS 17 HA CYS 17 0.766 4.541 -7.028 114 HB2 CYS 17 2HB CYS 17 -0.771 6.448 -7.633 115 HB3 CYS 17 3HB CYS 17 -1.188 4.897 -8.353 116 H ARG 18 HN ARG 18 -1.654 5.398 -4.560 117 HA ARG 18 HA ARG 18 -0.072 6.115 -2.506 118 HB2 ARG 18 2HB ARG 18 1.236 7.769 -3.305 119 HB3 ARG 18 3HB ARG 18 0.179 8.065 -4.679 120 HG2 ARG 18 2HG ARG 18 0.415 9.997 -3.144 121 HG3 ARG 18 3HG ARG 18 -1.251 9.458 -3.366 122 HD2 ARG 18 2HD ARG 18 -1.480 9.007 -1.195 123 HD3 ARG 18 3HD ARG 18 0.028 8.096 -1.156 124 HE ARG 18 HE ARG 18 1.000 9.903 -0.175 125 HH11 ARG 18 1HH1 ARG 18 -1.783 10.993 -1.960 126 HH12 ARG 18 2HH1 ARG 18 -1.631 12.640 -1.444 127 HH21 ARG 18 1HH2 ARG 18 1.210 12.068 0.511 128 HH22 ARG 18 2HH2 ARG 18 0.072 13.251 -0.040 129 H VAL 19 HN VAL 19 -2.448 8.012 -4.378 130 HA VAL 19 HA VAL 19 -3.922 8.944 -2.206 131 HB VAL 19 HB VAL 19 -4.540 10.066 -4.088 132 HG11 VAL 19 1HG1 VAL 19 -5.195 8.486 -6.191 133 HG12 VAL 19 2HG1 VAL 19 -3.593 9.173 -5.921 134 HG13 VAL 19 3HG1 VAL 19 -3.940 7.517 -5.418 135 HG21 VAL 19 1HG2 VAL 19 -6.546 8.795 -2.951 136 HG22 VAL 19 2HG2 VAL 19 -6.789 9.759 -4.407 137 HG23 VAL 19 3HG2 VAL 19 -6.643 8.005 -4.525 138 H CYS 20 HN CYS 20 -4.686 6.183 -4.334 139 HA CYS 20 HA CYS 20 -6.949 5.253 -3.097 140 HB2 CYS 20 2HB CYS 20 -4.751 3.482 -4.181 141 HB3 CYS 20 3HB CYS 20 -6.460 3.084 -4.045 142 H THR 21 HN THR 21 -7.449 4.140 -1.289 143 HA THR 21 HA THR 21 -5.670 4.138 0.893 144 HB THR 21 HB THR 21 -7.410 2.653 1.989 145 HG1 THR 21 1HG THR 21 -9.346 3.135 0.190 146 HG21 THR 21 1HG2 THR 21 -8.040 5.323 0.779 147 HG22 THR 21 2HG2 THR 21 -7.651 4.924 2.452 148 HG23 THR 21 3HG2 THR 21 -9.223 4.487 1.784 149 H ARG 22 HN ARG 22 -5.520 1.955 2.237 150 HA ARG 22 HA ARG 22 -4.483 -0.055 2.477 151 HB2 ARG 22 2HB ARG 22 -5.614 -0.485 -0.291 152 HB3 ARG 22 3HB ARG 22 -4.819 -1.741 0.649 153 HG2 ARG 22 2HG ARG 22 -7.045 -0.305 1.961 154 HG3 ARG 22 3HG ARG 22 -7.460 -1.387 0.630 155 HD2 ARG 22 2HD ARG 22 -5.762 -2.965 1.985 156 HD3 ARG 22 3HD ARG 22 -6.392 -1.996 3.317 157 HE ARG 22 HE ARG 22 -8.483 -2.990 1.660 158 HH11 ARG 22 1HH1 ARG 22 -6.265 -3.885 4.189 159 HH12 ARG 22 2HH1 ARG 22 -7.282 -5.140 4.816 160 HH21 ARG 22 1HH2 ARG 22 -9.831 -4.639 2.477 161 HH22 ARG 22 2HH2 ARG 22 -9.310 -5.568 3.840 162 H VAL 23 HN VAL 23 -2.566 -1.230 1.891 163 HA VAL 23 HA VAL 23 -0.934 -0.037 -0.230 164 HB VAL 23 HB VAL 23 1.022 0.110 1.246 165 HG11 VAL 23 1HG1 VAL 23 -1.135 1.855 1.126 166 HG12 VAL 23 2HG1 VAL 23 -0.729 1.771 2.841 167 HG13 VAL 23 3HG1 VAL 23 0.502 2.233 1.664 168 HG21 VAL 23 1HG2 VAL 23 -0.948 -0.739 3.356 169 HG22 VAL 23 2HG2 VAL 23 0.580 -1.504 2.918 170 HG23 VAL 23 3HG2 VAL 23 0.578 0.057 3.739 171 H PHE 24 HN PHE 24 0.084 -1.534 -1.394 172 HA PHE 24 HA PHE 24 0.909 -4.043 -0.171 173 HB2 PHE 24 2HB PHE 24 -0.227 -4.845 -2.612 174 HB3 PHE 24 3HB PHE 24 -0.802 -5.226 -0.992 175 HD1 PHE 24 1HD PHE 24 -0.989 -2.527 -3.553 176 HD2 PHE 24 2HD PHE 24 -2.939 -4.612 -0.396 177 HE1 PHE 24 1HE PHE 24 -3.054 -1.263 -3.996 178 HE2 PHE 24 2HE PHE 24 -5.006 -3.351 -0.834 179 HZ PHE 24 HZ PHE 24 -5.065 -1.675 -2.638 180 H HIS 25 HN HIS 25 2.077 -5.428 -1.887 181 HA HIS 25 HA HIS 25 3.838 -3.627 -3.392 182 HB2 HIS 25 2HB HIS 25 4.232 -6.427 -2.335 183 HB3 HIS 25 3HB HIS 25 5.368 -5.651 -3.435 184 HD2 HIS 25 2HD HIS 25 4.144 -3.078 -0.956 185 HE1 HIS 25 1HE HIS 25 7.708 -4.692 0.686 186 HE2 HIS 25 2HE HIS 25 5.947 -2.904 0.891 187 H ASP 26 HN ASP 26 4.785 -4.608 -5.427 188 HA ASP 26 HA ASP 26 2.618 -5.321 -7.169 189 HB2 ASP 26 2HB ASP 26 4.539 -5.441 -8.882 190 HB3 ASP 26 3HB ASP 26 4.186 -3.878 -8.153 191 H GLY 27 HN GLY 27 5.246 -6.998 -5.595 192 HA2 GLY 27 1HA GLY 27 4.780 -9.422 -7.155 193 HA3 GLY 27 2HA GLY 27 6.039 -9.184 -5.951 194 H CYS 28 HN CYS 28 4.190 -8.154 -3.938 195 HA CYS 28 HA CYS 28 3.525 -10.589 -2.682 196 HB2 CYS 28 2HB CYS 28 2.713 -7.739 -2.098 197 HB3 CYS 28 3HB CYS 28 2.279 -9.096 -1.063 198 H LEU 29 HN LEU 29 1.569 -8.205 -4.418 199 HA LEU 29 HA LEU 29 -0.932 -9.418 -3.913 200 HB2 LEU 29 2HB LEU 29 -0.060 -7.646 -6.190 201 HB3 LEU 29 3HB LEU 29 -1.731 -8.060 -5.812 202 HG LEU 29 HG LEU 29 0.057 -6.602 -3.879 203 HD11 LEU 29 1HD1 LEU 29 -1.747 -4.774 -4.900 204 HD12 LEU 29 2HD1 LEU 29 -1.163 -5.635 -6.324 205 HD13 LEU 29 3HD1 LEU 29 -0.018 -4.844 -5.240 206 HD21 LEU 29 1HD2 LEU 29 -2.420 -5.816 -3.306 207 HD22 LEU 29 2HD2 LEU 29 -1.708 -7.275 -2.618 208 HD23 LEU 29 3HD2 LEU 29 -2.797 -7.393 -4.001 209 H ARG 30 HN ARG 30 1.633 -10.184 -6.068 210 HA ARG 30 HA ARG 30 -0.073 -11.841 -7.761 211 HB2 ARG 30 2HB ARG 30 1.427 -11.292 -9.319 212 HB3 ARG 30 3HB ARG 30 2.410 -10.472 -8.113 213 HG2 ARG 30 2HG ARG 30 3.509 -12.603 -7.582 214 HG3 ARG 30 3HG ARG 30 2.550 -13.391 -8.837 215 HD2 ARG 30 2HD ARG 30 3.594 -11.338 -10.241 216 HD3 ARG 30 3HD ARG 30 4.882 -11.600 -9.065 217 HE ARG 30 HE ARG 30 4.058 -14.053 -10.225 218 HH11 ARG 30 1HH1 ARG 30 5.898 -11.171 -10.883 219 HH12 ARG 30 2HH1 ARG 30 6.942 -11.943 -12.030 220 HH21 ARG 30 1HH2 ARG 30 5.426 -15.080 -11.734 221 HH22 ARG 30 2HH2 ARG 30 6.671 -14.166 -12.514 222 H ARG 31 HN ARG 31 2.012 -12.093 -5.049 223 HA ARG 31 HA ARG 31 2.441 -14.952 -5.402 224 HB2 ARG 31 2HB ARG 31 3.857 -12.894 -4.113 225 HB3 ARG 31 3HB ARG 31 3.262 -13.938 -2.827 226 HG2 ARG 31 2HG ARG 31 4.230 -15.873 -4.159 227 HG3 ARG 31 3HG ARG 31 5.062 -14.648 -5.120 228 HD2 ARG 31 2HD ARG 31 5.575 -13.875 -2.526 229 HD3 ARG 31 3HD ARG 31 5.634 -15.635 -2.439 230 HE ARG 31 HE ARG 31 7.612 -13.974 -3.523 231 HH11 ARG 31 1HH1 ARG 31 5.894 -16.907 -4.276 232 HH12 ARG 31 2HH1 ARG 31 7.192 -17.582 -5.205 233 HH21 ARG 31 1HH2 ARG 31 9.327 -14.853 -4.744 234 HH22 ARG 31 2HH2 ARG 31 9.144 -16.413 -5.469 235 H MET 32 HN MET 32 0.568 -12.728 -3.438 236 HA MET 32 HA MET 32 -0.452 -14.833 -1.735 237 HB2 MET 32 2HB MET 32 -1.247 -11.924 -1.962 238 HB3 MET 32 3HB MET 32 -1.810 -13.038 -0.723 239 HG2 MET 32 2HG MET 32 1.034 -12.152 -1.153 240 HG3 MET 32 3HG MET 32 -0.050 -11.601 0.122 241 HE1 MET 32 1HE MET 32 -0.302 -12.979 2.503 242 HE2 MET 32 2HE MET 32 -1.479 -13.607 1.350 243 HE3 MET 32 3HE MET 32 -0.522 -14.720 2.327 244 H GLY 33 HN GLY 33 -1.022 -14.100 -4.836 245 HA2 GLY 33 1HA GLY 33 -2.698 -14.738 -6.279 246 HA3 GLY 33 2HA GLY 33 -3.499 -15.504 -4.915 247 H TYR 34 HN TYR 34 -2.709 -12.178 -4.580 248 HA TYR 34 HA TYR 34 -5.438 -11.452 -4.250 249 HB2 TYR 34 2HB TYR 34 -2.819 -10.045 -4.142 250 HB3 TYR 34 3HB TYR 34 -4.256 -9.058 -4.383 251 HD1 TYR 34 1HD TYR 34 -6.281 -10.163 -2.730 252 HD2 TYR 34 2HD TYR 34 -2.104 -9.916 -1.956 253 HE1 TYR 34 1HE TYR 34 -6.731 -10.222 -0.313 254 HE2 TYR 34 2HE TYR 34 -2.543 -9.977 0.463 255 HH TYR 34 HH TYR 34 -5.850 -10.000 1.730 256 H ILE 35 HN ILE 35 -3.153 -11.238 -6.885 257 HA ILE 35 HA ILE 35 -5.301 -10.153 -8.583 258 HB ILE 35 HB ILE 35 -3.543 -9.018 -9.938 259 HG12 ILE 35 2HG1 ILE 35 -1.571 -8.842 -7.836 260 HG13 ILE 35 3HG1 ILE 35 -1.812 -10.521 -8.306 261 HG21 ILE 35 1HG2 ILE 35 -4.506 -7.382 -8.740 262 HG22 ILE 35 2HG2 ILE 35 -4.389 -8.282 -7.229 263 HG23 ILE 35 3HG2 ILE 35 -2.994 -7.391 -7.833 264 HD11 ILE 35 1HD1 ILE 35 -0.007 -9.238 -9.522 265 HD12 ILE 35 2HD1 ILE 35 -1.177 -10.096 -10.525 266 HD13 ILE 35 3HD1 ILE 35 -1.310 -8.351 -10.314 267 H GLN 36 HN GLN 36 -4.994 -10.641 -10.911 268 HA GLN 36 HA GLN 36 -3.427 -13.068 -11.407 269 HB2 GLN 36 2HB GLN 36 -5.431 -13.923 -12.744 270 HB3 GLN 36 3HB GLN 36 -5.534 -14.022 -10.991 271 HG2 GLN 36 2HG GLN 36 -7.339 -12.739 -10.941 272 HG3 GLN 36 3HG GLN 36 -6.583 -11.516 -11.961 273 HE21 GLN 36 1HE2 GLN 36 -7.976 -11.072 -13.518 274 HE22 GLN 36 2HE2 GLN 36 -8.790 -12.230 -14.508 275 H GLY 37 HN GLY 37 -2.110 -11.328 -12.430 276 HA2 GLY 37 1HA GLY 37 -1.731 -11.358 -14.996 277 HA3 GLY 37 2HA GLY 37 -3.208 -10.406 -14.996 278 H ASP 38 HN ASP 38 0.193 -10.417 -14.403 279 HA ASP 38 HA ASP 38 0.084 -7.514 -13.905 280 HB2 ASP 38 2HB ASP 38 2.404 -7.963 -12.809 281 HB3 ASP 38 3HB ASP 38 0.940 -8.326 -11.899 282 H SER 39 HN SER 39 1.274 -6.225 -15.197 283 HA SER 39 HA SER 39 3.615 -6.866 -16.544 284 HB2 SER 39 2HB SER 39 2.647 -7.043 -18.905 285 HB3 SER 39 3HB SER 39 2.498 -8.472 -17.884 286 HG SER 39 HG SER 39 0.353 -7.147 -17.380 287 H ALA 40 HN ALA 40 1.027 -5.471 -18.424 288 HA ALA 40 HA ALA 40 1.008 -3.384 -19.428 289 HB1 ALA 40 1HB ALA 40 -0.541 -3.187 -17.590 290 HB2 ALA 40 2HB ALA 40 0.771 -2.767 -16.486 291 HB3 ALA 40 3HB ALA 40 0.328 -1.665 -17.791 292 H ALA 41 HN ALA 41 2.124 -1.471 -16.935 293 HA ALA 41 HA ALA 41 4.931 -1.554 -17.466 294 HB1 ALA 41 1HB ALA 41 3.325 0.689 -18.680 295 HB2 ALA 41 2HB ALA 41 5.080 0.693 -18.505 296 HB3 ALA 41 3HB ALA 41 4.299 -0.506 -19.536 297 H GLU 42 HN GLU 42 5.473 -1.363 -15.372 298 HA GLU 42 HA GLU 42 5.122 1.165 -14.069 299 HB2 GLU 42 2HB GLU 42 4.117 -0.026 -11.989 300 HB3 GLU 42 3HB GLU 42 3.052 0.457 -13.301 301 HG2 GLU 42 2HG GLU 42 2.430 -1.636 -13.693 302 HG3 GLU 42 3HG GLU 42 4.095 -2.212 -13.692 303 H VAL 43 HN VAL 43 7.471 0.532 -14.593 304 HA VAL 43 HA VAL 43 8.793 -1.412 -13.023 305 HB VAL 43 HB VAL 43 9.888 1.070 -14.353 306 HG11 VAL 43 1HG1 VAL 43 11.329 0.255 -12.521 307 HG12 VAL 43 2HG1 VAL 43 11.390 -1.325 -13.302 308 HG13 VAL 43 3HG1 VAL 43 12.080 0.085 -14.107 309 HG21 VAL 43 1HG2 VAL 43 10.694 -0.577 -16.045 310 HG22 VAL 43 2HG2 VAL 43 9.732 -1.811 -15.229 311 HG23 VAL 43 3HG2 VAL 43 8.939 -0.421 -15.970 312 H THR 44 HN THR 44 9.371 2.086 -12.780 313 HA THR 44 HA THR 44 8.623 2.437 -10.120 314 HB THR 44 HB THR 44 10.769 0.784 -10.107 315 HG1 THR 44 1HG THR 44 9.833 1.119 -8.189 316 HG21 THR 44 1HG2 THR 44 12.202 2.526 -11.136 317 HG22 THR 44 2HG2 THR 44 12.762 2.032 -9.538 318 HG23 THR 44 3HG2 THR 44 11.902 3.559 -9.739 319 H GLU 45 HN GLU 45 8.831 4.552 -9.496 320 HA GLU 45 HA GLU 45 10.682 6.314 -10.863 321 HB2 GLU 45 2HB GLU 45 7.756 6.287 -11.405 322 HB3 GLU 45 3HB GLU 45 8.538 7.855 -11.263 323 HG2 GLU 45 2HG GLU 45 10.207 6.385 -12.927 324 HG3 GLU 45 3HG GLU 45 8.573 5.969 -13.441 325 H MET 46 HN MET 46 7.667 7.424 -9.499 326 HA MET 46 HA MET 46 8.812 7.885 -6.880 327 HB2 MET 46 2HB MET 46 7.851 10.424 -7.494 328 HB3 MET 46 3HB MET 46 9.536 9.957 -7.311 329 HG2 MET 46 2HG MET 46 9.837 9.713 -9.620 330 HG3 MET 46 3HG MET 46 8.103 9.695 -9.928 331 HE1 MET 46 1HE MET 46 11.063 11.550 -8.641 332 HE2 MET 46 2HE MET 46 10.839 13.230 -9.129 333 HE3 MET 46 3HE MET 46 10.073 12.630 -7.658 334 H ALA 47 HN ALA 47 7.199 7.033 -5.721 335 HA ALA 47 HA ALA 47 4.535 6.815 -6.378 336 HB1 ALA 47 1HB ALA 47 4.667 5.621 -4.511 337 HB2 ALA 47 2HB ALA 47 6.133 6.465 -4.009 338 HB3 ALA 47 3HB ALA 47 4.551 7.130 -3.605 339 H HIS 48 HN HIS 48 6.221 9.534 -4.937 340 HA HIS 48 HA HIS 48 3.694 11.043 -4.887 341 HB2 HIS 48 2HB HIS 48 6.256 11.782 -3.470 342 HB3 HIS 48 3HB HIS 48 4.655 12.477 -3.226 343 HD1 HIS 48 1HD HIS 48 3.685 11.713 -1.099 344 HD2 HIS 48 2HD HIS 48 6.013 8.760 -2.865 345 HE1 HIS 48 1HE HIS 48 3.559 9.739 0.455 346 H THR 49 HN THR 49 4.365 13.567 -5.027 347 HA THR 49 HA THR 49 5.144 15.286 -6.319 348 HB THR 49 HB THR 49 6.987 13.709 -7.988 349 HG1 THR 49 1HG THR 49 7.771 14.064 -5.306 350 HG21 THR 49 1HG2 THR 49 6.906 16.297 -6.546 351 HG22 THR 49 2HG2 THR 49 7.465 15.926 -8.177 352 HG23 THR 49 3HG2 THR 49 8.492 15.567 -6.790 353 H GLU 50 HN GLU 50 5.493 12.458 -8.466 354 HA GLU 50 HA GLU 50 3.927 13.824 -10.498 355 HB2 GLU 50 2HB GLU 50 4.588 11.992 -11.965 356 HB3 GLU 50 3HB GLU 50 5.991 12.662 -11.147 357 HG2 GLU 50 2HG GLU 50 6.097 10.812 -9.650 358 HG3 GLU 50 3HG GLU 50 4.550 10.192 -10.222 359 H THR 51 HN THR 51 1.995 13.085 -11.349 360 HA THR 51 HA THR 51 0.645 10.959 -9.819 361 HB THR 51 HB THR 51 -1.469 12.166 -10.064 362 HG1 THR 51 1HG THR 51 -1.585 14.083 -11.109 363 HG21 THR 51 1HG2 THR 51 -1.139 13.613 -8.307 364 HG22 THR 51 2HG2 THR 51 0.377 14.232 -8.962 365 HG23 THR 51 3HG2 THR 51 0.330 12.643 -8.200 366 H GLY 52 HN GLY 52 0.198 9.266 -11.059 367 HA2 GLY 52 1HA GLY 52 -1.393 8.996 -13.167 368 HA3 GLY 52 2HA GLY 52 0.062 9.588 -13.955 369 H TRP 53 HN TRP 53 0.042 7.475 -11.150 370 HA TRP 53 HA TRP 53 1.397 5.438 -12.769 371 HB2 TRP 53 2HB TRP 53 2.159 6.530 -10.403 372 HB3 TRP 53 3HB TRP 53 1.287 5.108 -9.835 373 HD1 TRP 53 1HD TRP 53 2.919 3.202 -9.389 374 HE1 TRP 53 1HE TRP 53 5.059 2.295 -10.494 375 HE3 TRP 53 3HE TRP 53 3.375 6.598 -13.183 376 HZ2 TRP 53 2HZ TRP 53 6.721 2.935 -12.684 377 HZ3 TRP 53 3HZ TRP 53 5.269 6.380 -14.739 378 HH2 TRP 53 2HH TRP 53 6.906 4.585 -14.493 379 H SER 54 HN SER 54 0.764 3.279 -12.734 380 HA SER 54 HA SER 54 -2.059 2.868 -12.260 381 HB2 SER 54 2HB SER 54 -0.805 0.429 -12.991 382 HB3 SER 54 3HB SER 54 -1.803 1.478 -13.996 383 HG SER 54 HG SER 54 -0.028 1.769 -15.079 384 H CYS 55 HN CYS 55 -2.954 1.264 -10.919 385 HA CYS 55 HA CYS 55 -1.329 -0.290 -9.145 386 HB2 CYS 55 2HB CYS 55 -1.419 0.899 -7.222 387 HB3 CYS 55 3HB CYS 55 -1.642 2.273 -8.301 388 H HIS 56 HN HIS 56 -3.014 -0.957 -7.183 389 HA HIS 56 HA HIS 56 -4.769 -2.758 -8.272 390 HB2 HIS 56 2HB HIS 56 -4.352 -1.584 -5.619 391 HB3 HIS 56 3HB HIS 56 -6.000 -2.144 -5.888 392 HD1 HIS 56 1HD HIS 56 -5.432 -3.970 -4.037 393 HD2 HIS 56 2HD HIS 56 -3.344 -4.317 -7.612 394 HE1 HIS 56 1HE HIS 56 -4.468 -6.291 -4.029 395 H TYR 57 HN TYR 57 -6.170 -0.121 -6.383 396 HA TYR 57 HA TYR 57 -8.472 -0.085 -8.137 397 HB2 TYR 57 2HB TYR 57 -7.876 1.507 -5.635 398 HB3 TYR 57 3HB TYR 57 -9.417 1.488 -6.485 399 HD1 TYR 57 1HD TYR 57 -10.925 -0.379 -6.285 400 HD2 TYR 57 2HD TYR 57 -7.124 -0.458 -4.374 401 HE1 TYR 57 1HE TYR 57 -11.641 -2.319 -4.953 402 HE2 TYR 57 2HE TYR 57 -7.830 -2.398 -3.037 403 HH TYR 57 HH TYR 57 -9.416 -3.931 -2.711 404 H CYS 58 HN CYS 58 -6.496 0.700 -9.693 405 HA CYS 58 HA CYS 58 -6.706 3.638 -9.813 406 HB2 CYS 58 2HB CYS 58 -4.412 1.939 -9.889 407 HB3 CYS 58 3HB CYS 58 -4.574 2.717 -11.460 408 H ASP 59 HN ASP 59 -7.360 0.675 -11.377 409 HA ASP 59 HA ASP 59 -8.850 1.930 -13.439 410 HB2 ASP 59 2HB ASP 59 -6.067 1.150 -14.021 411 HB3 ASP 59 3HB ASP 59 -7.259 0.554 -15.175 412 H ASN 60 HN ASN 60 -10.498 0.584 -12.815 413 HA ASN 60 HA ASN 60 -10.445 -2.077 -13.897 414 HB2 ASN 60 2HB ASN 60 -10.738 -1.696 -10.908 415 HB3 ASN 60 3HB ASN 60 -11.058 -3.201 -11.768 416 HD21 ASN 60 1HD2 ASN 60 -9.206 -4.003 -13.113 417 HD22 ASN 60 2HD2 ASN 60 -7.627 -3.873 -12.426 Start of MODEL 15 1 H1 GLU 1 HN GLU 1 1.568 4.144 6.665 2 HA GLU 1 HA GLU 1 0.645 2.597 5.254 3 HB2 GLU 1 2HB GLU 1 1.556 4.603 3.485 4 HB3 GLU 1 3HB GLU 1 2.080 3.067 2.811 5 HG2 GLU 1 2HG GLU 1 -0.304 2.276 3.124 6 HG3 GLU 1 3HG GLU 1 -0.714 3.961 3.439 7 H MET 2 HN MET 2 1.272 0.583 5.613 8 HA MET 2 HA MET 2 3.945 -0.248 4.722 9 HB2 MET 2 2HB MET 2 2.958 -1.593 7.146 10 HB3 MET 2 3HB MET 2 4.580 -1.045 6.742 11 HG2 MET 2 2HG MET 2 3.505 1.326 7.136 12 HG3 MET 2 3HG MET 2 2.374 0.391 8.110 13 HE1 MET 2 1HE MET 2 5.722 1.445 7.264 14 HE2 MET 2 2HE MET 2 6.228 2.075 8.832 15 HE3 MET 2 3HE MET 2 6.808 0.501 8.284 16 H CYS 3 HN CYS 3 3.699 -1.767 3.233 17 HA CYS 3 HA CYS 3 1.535 -3.032 2.330 18 HB2 CYS 3 2HB CYS 3 3.792 -3.351 1.390 19 HB3 CYS 3 3HB CYS 3 4.202 -4.404 2.741 20 H ASP 4 HN ASP 4 -0.055 -4.141 3.229 21 HA ASP 4 HA ASP 4 -0.013 -5.157 5.842 22 HB2 ASP 4 2HB ASP 4 -2.011 -4.562 4.250 23 HB3 ASP 4 3HB ASP 4 -1.896 -6.257 3.787 24 H VAL 5 HN VAL 5 1.422 -6.378 3.079 25 HA VAL 5 HA VAL 5 1.340 -9.146 4.071 26 HB VAL 5 HB VAL 5 2.225 -8.130 1.366 27 HG11 VAL 5 1HG1 VAL 5 1.997 -10.624 0.825 28 HG12 VAL 5 2HG1 VAL 5 3.417 -10.110 1.738 29 HG13 VAL 5 3HG1 VAL 5 2.062 -10.875 2.569 30 HG21 VAL 5 1HG2 VAL 5 -0.074 -7.858 1.330 31 HG22 VAL 5 2HG2 VAL 5 0.118 -9.493 0.700 32 HG23 VAL 5 3HG2 VAL 5 -0.359 -9.246 2.380 33 H CYS 6 HN CYS 6 3.206 -6.452 4.289 34 HA CYS 6 HA CYS 6 5.557 -8.023 4.989 35 HB2 CYS 6 2HB CYS 6 5.711 -5.679 3.080 36 HB3 CYS 6 3HB CYS 6 7.080 -6.586 3.717 37 H GLU 7 HN GLU 7 4.474 -4.642 4.607 38 HA GLU 7 HA GLU 7 4.210 -3.008 6.205 39 HB2 GLU 7 2HB GLU 7 5.562 -4.712 8.272 40 HB3 GLU 7 3HB GLU 7 4.344 -3.463 8.492 41 HG2 GLU 7 2HG GLU 7 3.158 -5.446 6.899 42 HG3 GLU 7 3HG GLU 7 4.012 -6.285 8.192 43 H VAL 8 HN VAL 8 5.863 -2.103 4.763 44 HA VAL 8 HA VAL 8 8.055 -1.071 6.233 45 HB VAL 8 HB VAL 8 9.522 -2.169 4.121 46 HG11 VAL 8 1HG1 VAL 8 10.503 -1.696 6.226 47 HG12 VAL 8 2HG1 VAL 8 9.398 -2.789 7.064 48 HG13 VAL 8 3HG1 VAL 8 10.639 -3.438 5.991 49 HG21 VAL 8 1HG2 VAL 8 8.237 -4.460 5.551 50 HG22 VAL 8 2HG2 VAL 8 7.506 -3.803 4.086 51 HG23 VAL 8 3HG2 VAL 8 9.144 -4.453 4.039 52 H TRP 9 HN TRP 9 8.311 0.922 5.488 53 HA TRP 9 HA TRP 9 7.969 1.416 2.609 54 HB2 TRP 9 2HB TRP 9 5.995 2.369 3.269 55 HB3 TRP 9 3HB TRP 9 6.574 2.696 4.900 56 HD1 TRP 9 1HD TRP 9 7.226 5.132 5.411 57 HE1 TRP 9 1HE TRP 9 7.562 7.267 4.014 58 HE3 TRP 9 3HE TRP 9 6.866 3.103 0.733 59 HZ2 TRP 9 2HZ TRP 9 7.659 7.994 1.289 60 HZ3 TRP 9 3HZ TRP 9 7.091 4.586 -1.216 61 HH2 TRP 9 2HH TRP 9 7.480 6.982 -0.942 62 H THR 10 HN THR 10 9.005 3.406 1.857 63 HA THR 10 HA THR 10 11.038 4.554 3.594 64 HB THR 10 HB THR 10 11.707 2.972 1.115 65 HG1 THR 10 1HG THR 10 12.184 1.625 2.683 66 HG21 THR 10 1HG2 THR 10 12.986 5.375 2.169 67 HG22 THR 10 2HG2 THR 10 13.209 4.561 0.620 68 HG23 THR 10 3HG2 THR 10 14.084 4.002 2.045 69 H ALA 11 HN ALA 11 11.226 4.540 0.103 70 HA ALA 11 HA ALA 11 9.665 6.813 -0.434 71 HB1 ALA 11 1HB ALA 11 12.476 7.322 0.396 72 HB2 ALA 11 2HB ALA 11 11.788 8.299 -0.903 73 HB3 ALA 11 3HB ALA 11 11.021 8.276 0.686 74 H GLU 12 HN GLU 12 10.526 4.207 -1.520 75 HA GLU 12 HA GLU 12 11.951 4.892 -3.958 76 HB2 GLU 12 2HB GLU 12 10.977 2.329 -2.736 77 HB3 GLU 12 3HB GLU 12 11.450 2.381 -4.429 78 HG2 GLU 12 2HG GLU 12 13.240 3.265 -2.183 79 HG3 GLU 12 3HG GLU 12 13.224 1.627 -2.835 80 H SER 13 HN SER 13 9.017 2.937 -3.472 81 HA SER 13 HA SER 13 7.278 4.583 -4.938 82 HB2 SER 13 2HB SER 13 7.160 3.499 -7.073 83 HB3 SER 13 3HB SER 13 8.855 3.892 -6.787 84 HG SER 13 HG SER 13 7.614 1.367 -6.409 85 H LEU 14 HN LEU 14 6.924 3.304 -2.610 86 HA LEU 14 HA LEU 14 5.991 0.765 -2.427 87 HB2 LEU 14 2HB LEU 14 5.747 3.120 -0.924 88 HB3 LEU 14 3HB LEU 14 4.109 2.501 -1.118 89 HG LEU 14 HG LEU 14 6.454 1.189 0.228 90 HD11 LEU 14 1HD1 LEU 14 4.954 1.088 2.121 91 HD12 LEU 14 2HD1 LEU 14 3.646 1.774 1.156 92 HD13 LEU 14 3HD1 LEU 14 5.067 2.748 1.534 93 HD21 LEU 14 1HD2 LEU 14 4.802 -0.729 0.559 94 HD22 LEU 14 2HD2 LEU 14 5.587 -0.596 -1.015 95 HD23 LEU 14 3HD2 LEU 14 3.923 -0.048 -0.809 96 H PHE 15 HN PHE 15 4.172 -0.377 -2.938 97 HA PHE 15 HA PHE 15 2.362 0.901 -4.862 98 HB2 PHE 15 2HB PHE 15 3.309 -1.897 -4.435 99 HB3 PHE 15 3HB PHE 15 1.718 -1.657 -5.148 100 HD1 PHE 15 1HD PHE 15 1.524 -1.354 -7.426 101 HD2 PHE 15 2HD PHE 15 5.263 -0.593 -5.539 102 HE1 PHE 15 1HE PHE 15 2.563 -1.005 -9.630 103 HE2 PHE 15 2HE PHE 15 6.306 -0.242 -7.738 104 HZ PHE 15 HZ PHE 15 4.956 -0.447 -9.788 105 HA PRO 16 HA PRO 16 0.434 -0.050 -5.880 106 HB2 PRO 16 2HB PRO 16 -1.817 1.451 -6.100 107 HB3 PRO 16 3HB PRO 16 -1.850 -0.296 -5.834 108 HG2 PRO 16 2HG PRO 16 -2.180 1.928 -3.857 109 HG3 PRO 16 3HG PRO 16 -3.095 0.417 -4.004 110 HD2 PRO 16 2HD PRO 16 -1.126 0.754 -2.177 111 HD3 PRO 16 3HD PRO 16 -1.475 -0.817 -2.925 112 H CYS 17 HN CYS 17 -0.488 2.796 -3.928 113 HA CYS 17 HA CYS 17 1.689 4.361 -4.864 114 HB2 CYS 17 2HB CYS 17 0.582 5.922 -6.282 115 HB3 CYS 17 3HB CYS 17 0.164 4.321 -6.884 116 H ARG 18 HN ARG 18 0.100 6.865 -4.712 117 HA ARG 18 HA ARG 18 -0.285 6.890 -1.793 118 HB2 ARG 18 2HB ARG 18 1.178 8.579 -1.823 119 HB3 ARG 18 3HB ARG 18 1.183 8.610 -3.581 120 HG2 ARG 18 2HG ARG 18 0.549 10.767 -2.672 121 HG3 ARG 18 3HG ARG 18 -0.791 10.045 -3.565 122 HD2 ARG 18 2HD ARG 18 -2.094 10.120 -1.768 123 HD3 ARG 18 3HD ARG 18 -0.902 9.236 -0.817 124 HE ARG 18 HE ARG 18 0.000 11.843 -0.968 125 HH11 ARG 18 1HH1 ARG 18 -2.793 10.171 0.266 126 HH12 ARG 18 2HH1 ARG 18 -3.085 11.320 1.529 127 HH21 ARG 18 1HH2 ARG 18 -0.374 13.363 0.691 128 HH22 ARG 18 2HH2 ARG 18 -1.709 13.135 1.770 129 H VAL 19 HN VAL 19 -1.484 8.373 -4.800 130 HA VAL 19 HA VAL 19 -3.679 9.715 -3.800 131 HB VAL 19 HB VAL 19 -4.731 9.306 -6.067 132 HG11 VAL 19 1HG1 VAL 19 -2.847 10.539 -7.277 133 HG12 VAL 19 2HG1 VAL 19 -3.516 11.294 -5.828 134 HG13 VAL 19 3HG1 VAL 19 -1.971 10.444 -5.749 135 HG21 VAL 19 1HG2 VAL 19 -3.664 7.100 -6.436 136 HG22 VAL 19 2HG2 VAL 19 -3.416 8.223 -7.773 137 HG23 VAL 19 3HG2 VAL 19 -2.113 7.917 -6.625 138 H CYS 20 HN CYS 20 -3.190 6.317 -4.142 139 HA CYS 20 HA CYS 20 -6.029 5.726 -3.809 140 HB2 CYS 20 2HB CYS 20 -3.627 3.946 -4.252 141 HB3 CYS 20 3HB CYS 20 -5.262 3.339 -4.006 142 H THR 21 HN THR 21 -6.098 3.510 -2.309 143 HA THR 21 HA THR 21 -5.064 4.402 0.303 144 HB THR 21 HB THR 21 -6.989 3.142 1.296 145 HG1 THR 21 1HG THR 21 -8.339 2.109 0.022 146 HG21 THR 21 1HG2 THR 21 -7.665 5.394 -0.600 147 HG22 THR 21 2HG2 THR 21 -7.111 5.555 1.066 148 HG23 THR 21 3HG2 THR 21 -8.688 4.845 0.726 149 H ARG 22 HN ARG 22 -4.960 2.525 1.921 150 HA ARG 22 HA ARG 22 -3.935 0.604 2.581 151 HB2 ARG 22 2HB ARG 22 -4.710 -0.616 -0.058 152 HB3 ARG 22 3HB ARG 22 -4.539 -1.404 1.504 153 HG2 ARG 22 2HG ARG 22 -6.527 0.612 1.738 154 HG3 ARG 22 3HG ARG 22 -6.873 -0.357 0.304 155 HD2 ARG 22 2HD ARG 22 -7.967 -1.525 1.978 156 HD3 ARG 22 3HD ARG 22 -6.427 -2.376 1.861 157 HE ARG 22 HE ARG 22 -6.029 -1.783 4.020 158 HH11 ARG 22 1HH1 ARG 22 -8.283 0.495 2.659 159 HH12 ARG 22 2HH1 ARG 22 -8.501 1.364 4.141 160 HH21 ARG 22 1HH2 ARG 22 -6.308 -0.646 5.977 161 HH22 ARG 22 2HH2 ARG 22 -7.375 0.715 6.028 162 H VAL 23 HN VAL 23 -2.444 -1.307 1.422 163 HA VAL 23 HA VAL 23 -0.598 -0.189 -0.495 164 HB VAL 23 HB VAL 23 0.380 0.873 1.374 165 HG11 VAL 23 1HG1 VAL 23 -0.778 -0.247 3.161 166 HG12 VAL 23 2HG1 VAL 23 0.084 -1.751 2.829 167 HG13 VAL 23 3HG1 VAL 23 0.957 -0.352 3.453 168 HG21 VAL 23 1HG2 VAL 23 1.718 -1.178 -0.004 169 HG22 VAL 23 2HG2 VAL 23 2.425 0.231 0.785 170 HG23 VAL 23 3HG2 VAL 23 2.247 -1.281 1.675 171 H PHE 24 HN PHE 24 0.090 -1.788 -1.750 172 HA PHE 24 HA PHE 24 0.640 -4.414 -0.623 173 HB2 PHE 24 2HB PHE 24 -0.790 -4.897 -3.037 174 HB3 PHE 24 3HB PHE 24 -1.201 -5.411 -1.403 175 HD1 PHE 24 1HD PHE 24 -2.756 -4.115 -0.047 176 HD2 PHE 24 2HD PHE 24 -1.851 -3.005 -4.055 177 HE1 PHE 24 1HE PHE 24 -4.726 -2.641 -0.079 178 HE2 PHE 24 2HE PHE 24 -3.819 -1.528 -4.093 179 HZ PHE 24 HZ PHE 24 -5.259 -1.343 -2.104 180 H HIS 25 HN HIS 25 2.654 -4.772 -1.270 181 HA HIS 25 HA HIS 25 4.056 -3.529 -3.266 182 HB2 HIS 25 2HB HIS 25 4.362 -6.309 -2.135 183 HB3 HIS 25 3HB HIS 25 5.516 -5.616 -3.270 184 HD2 HIS 25 2HD HIS 25 5.055 -2.602 -1.460 185 HE1 HIS 25 1HE HIS 25 7.448 -4.839 1.235 186 HE2 HIS 25 2HE HIS 25 6.515 -2.568 0.675 187 H ASP 26 HN ASP 26 5.003 -4.636 -5.262 188 HA ASP 26 HA ASP 26 2.785 -5.392 -6.960 189 HB2 ASP 26 2HB ASP 26 4.004 -4.456 -8.590 190 HB3 ASP 26 3HB ASP 26 5.166 -3.991 -7.351 191 H GLY 27 HN GLY 27 5.514 -6.902 -5.418 192 HA2 GLY 27 1HA GLY 27 5.264 -9.332 -7.000 193 HA3 GLY 27 2HA GLY 27 6.431 -9.036 -5.721 194 H CYS 28 HN CYS 28 4.132 -8.081 -3.984 195 HA CYS 28 HA CYS 28 3.660 -10.571 -2.694 196 HB2 CYS 28 2HB CYS 28 2.814 -7.742 -2.247 197 HB3 CYS 28 3HB CYS 28 1.935 -9.020 -1.415 198 H LEU 29 HN LEU 29 1.348 -8.249 -4.112 199 HA LEU 29 HA LEU 29 -0.940 -9.730 -3.990 200 HB2 LEU 29 2HB LEU 29 -0.102 -8.022 -6.328 201 HB3 LEU 29 3HB LEU 29 -1.753 -8.474 -5.904 202 HG LEU 29 HG LEU 29 -0.022 -6.844 -4.063 203 HD11 LEU 29 1HD1 LEU 29 -0.039 -5.309 -5.719 204 HD12 LEU 29 2HD1 LEU 29 -1.666 -5.009 -5.110 205 HD13 LEU 29 3HD1 LEU 29 -1.430 -6.030 -6.527 206 HD21 LEU 29 1HD2 LEU 29 -2.695 -6.149 -3.823 207 HD22 LEU 29 2HD2 LEU 29 -1.772 -7.177 -2.728 208 HD23 LEU 29 3HD2 LEU 29 -2.718 -7.900 -4.030 209 H ARG 30 HN ARG 30 1.772 -10.191 -6.121 210 HA ARG 30 HA ARG 30 0.388 -12.009 -7.878 211 HB2 ARG 30 2HB ARG 30 2.119 -11.576 -9.216 212 HB3 ARG 30 3HB ARG 30 2.805 -10.562 -7.953 213 HG2 ARG 30 2HG ARG 30 4.009 -12.463 -7.046 214 HG3 ARG 30 3HG ARG 30 3.283 -13.519 -8.259 215 HD2 ARG 30 2HD ARG 30 5.199 -13.084 -9.373 216 HD3 ARG 30 3HD ARG 30 4.328 -11.631 -9.860 217 HE ARG 30 HE ARG 30 5.759 -11.259 -7.421 218 HH11 ARG 30 1HH1 ARG 30 6.090 -11.348 -10.885 219 HH12 ARG 30 2HH1 ARG 30 7.482 -10.315 -10.908 220 HH21 ARG 30 1HH2 ARG 30 7.590 -9.898 -7.439 221 HH22 ARG 30 2HH2 ARG 30 8.334 -9.492 -8.948 222 H ARG 31 HN ARG 31 2.795 -12.279 -5.284 223 HA ARG 31 HA ARG 31 3.192 -15.040 -5.404 224 HB2 ARG 31 2HB ARG 31 3.627 -12.912 -3.400 225 HB3 ARG 31 3HB ARG 31 3.512 -14.546 -2.758 226 HG2 ARG 31 2HG ARG 31 5.274 -14.172 -5.098 227 HG3 ARG 31 3HG ARG 31 5.803 -13.449 -3.578 228 HD2 ARG 31 2HD ARG 31 6.685 -15.492 -3.218 229 HD3 ARG 31 3HD ARG 31 5.043 -15.884 -2.711 230 HE ARG 31 HE ARG 31 4.782 -17.159 -4.612 231 HH11 ARG 31 1HH1 ARG 31 7.714 -15.295 -4.823 232 HH12 ARG 31 2HH1 ARG 31 8.306 -16.139 -6.215 233 HH21 ARG 31 1HH2 ARG 31 5.550 -18.279 -6.445 234 HH22 ARG 31 2HH2 ARG 31 7.073 -17.836 -7.137 235 H MET 32 HN MET 32 1.224 -13.347 -2.956 236 HA MET 32 HA MET 32 -0.071 -15.595 -1.969 237 HB2 MET 32 2HB MET 32 -1.214 -12.801 -2.138 238 HB3 MET 32 3HB MET 32 -1.710 -14.067 -1.023 239 HG2 MET 32 2HG MET 32 1.136 -13.233 -1.007 240 HG3 MET 32 3HG MET 32 -0.058 -12.140 -0.310 241 HE1 MET 32 1HE MET 32 -1.936 -13.001 0.986 242 HE2 MET 32 2HE MET 32 -2.013 -14.523 1.872 243 HE3 MET 32 3HE MET 32 -1.234 -13.117 2.601 244 H GLY 33 HN GLY 33 -0.657 -13.775 -4.866 245 HA2 GLY 33 1HA GLY 33 -1.854 -14.619 -6.715 246 HA3 GLY 33 2HA GLY 33 -2.692 -15.727 -5.638 247 H TYR 34 HN TYR 34 -2.471 -12.455 -4.620 248 HA TYR 34 HA TYR 34 -5.265 -12.135 -4.481 249 HB2 TYR 34 2HB TYR 34 -2.907 -10.343 -4.104 250 HB3 TYR 34 3HB TYR 34 -4.498 -9.607 -4.256 251 HD1 TYR 34 1HD TYR 34 -6.276 -11.327 -2.817 252 HD2 TYR 34 2HD TYR 34 -2.252 -10.301 -1.892 253 HE1 TYR 34 1HE TYR 34 -6.714 -11.776 -0.438 254 HE2 TYR 34 2HE TYR 34 -2.679 -10.749 0.489 255 HH TYR 34 HH TYR 34 -4.428 -12.281 1.790 256 H ILE 35 HN ILE 35 -2.935 -11.385 -6.957 257 HA ILE 35 HA ILE 35 -5.086 -10.196 -8.584 258 HB ILE 35 HB ILE 35 -3.247 -9.119 -9.907 259 HG12 ILE 35 2HG1 ILE 35 -1.294 -9.118 -7.792 260 HG13 ILE 35 3HG1 ILE 35 -1.632 -10.773 -8.284 261 HG21 ILE 35 1HG2 ILE 35 -2.869 -7.315 -8.286 262 HG22 ILE 35 2HG2 ILE 35 -4.547 -7.859 -8.288 263 HG23 ILE 35 3HG2 ILE 35 -3.459 -8.363 -6.996 264 HD11 ILE 35 1HD1 ILE 35 -1.361 -9.267 -10.643 265 HD12 ILE 35 2HD1 ILE 35 -0.034 -8.805 -9.576 266 HD13 ILE 35 3HD1 ILE 35 -0.276 -10.499 -10.001 267 H GLN 36 HN GLN 36 -5.792 -11.534 -10.099 268 HA GLN 36 HA GLN 36 -4.234 -13.798 -10.957 269 HB2 GLN 36 2HB GLN 36 -6.190 -14.410 -12.261 270 HB3 GLN 36 3HB GLN 36 -6.671 -13.960 -10.630 271 HG2 GLN 36 2HG GLN 36 -6.740 -11.947 -12.836 272 HG3 GLN 36 3HG GLN 36 -8.047 -13.113 -12.643 273 HE21 GLN 36 1HE2 GLN 36 -9.236 -13.104 -10.669 274 HE22 GLN 36 2HE2 GLN 36 -9.348 -11.663 -9.722 275 H GLY 37 HN GLY 37 -4.036 -10.660 -11.754 276 HA2 GLY 37 1HA GLY 37 -3.883 -10.921 -14.636 277 HA3 GLY 37 2HA GLY 37 -3.542 -9.475 -13.698 278 H ASP 38 HN ASP 38 -2.018 -10.622 -15.897 279 HA ASP 38 HA ASP 38 0.515 -11.113 -14.475 280 HB2 ASP 38 2HB ASP 38 0.779 -12.116 -17.092 281 HB3 ASP 38 3HB ASP 38 0.702 -13.040 -15.594 282 H SER 39 HN SER 39 0.723 -8.767 -14.519 283 HA SER 39 HA SER 39 1.455 -7.721 -17.172 284 HB2 SER 39 2HB SER 39 0.435 -5.788 -16.641 285 HB3 SER 39 3HB SER 39 -0.266 -6.650 -15.272 286 HG SER 39 HG SER 39 1.912 -4.891 -15.351 287 H ALA 40 HN ALA 40 3.070 -5.725 -16.762 288 HA ALA 40 HA ALA 40 5.157 -6.500 -14.867 289 HB1 ALA 40 1HB ALA 40 6.780 -6.010 -16.898 290 HB2 ALA 40 2HB ALA 40 6.122 -7.621 -16.603 291 HB3 ALA 40 3HB ALA 40 5.393 -6.582 -17.827 292 H ALA 41 HN ALA 41 6.354 -4.811 -14.099 293 HA ALA 41 HA ALA 41 6.360 -2.243 -15.401 294 HB1 ALA 41 1HB ALA 41 4.570 -1.394 -14.396 295 HB2 ALA 41 2HB ALA 41 4.392 -2.821 -13.371 296 HB3 ALA 41 3HB ALA 41 5.455 -1.504 -12.874 297 H GLU 42 HN GLU 42 8.592 -2.398 -15.330 298 HA GLU 42 HA GLU 42 9.769 -1.876 -12.702 299 HB2 GLU 42 2HB GLU 42 11.114 -3.781 -14.602 300 HB3 GLU 42 3HB GLU 42 11.467 -3.498 -12.903 301 HG2 GLU 42 2HG GLU 42 9.159 -4.444 -12.424 302 HG3 GLU 42 3HG GLU 42 9.159 -4.992 -14.100 303 H VAL 43 HN VAL 43 9.151 -0.237 -15.049 304 HA VAL 43 HA VAL 43 11.612 0.319 -16.409 305 HB VAL 43 HB VAL 43 9.604 0.804 -17.596 306 HG11 VAL 43 1HG1 VAL 43 7.904 1.121 -16.083 307 HG12 VAL 43 2HG1 VAL 43 8.843 2.247 -15.101 308 HG13 VAL 43 3HG1 VAL 43 8.164 2.773 -16.642 309 HG21 VAL 43 1HG2 VAL 43 10.095 2.917 -18.408 310 HG22 VAL 43 2HG2 VAL 43 10.507 3.547 -16.814 311 HG23 VAL 43 3HG2 VAL 43 11.611 2.447 -17.641 312 H THR 44 HN THR 44 9.980 1.533 -13.571 313 HA THR 44 HA THR 44 12.324 2.784 -12.583 314 HB THR 44 HB THR 44 11.786 4.526 -14.200 315 HG1 THR 44 1HG THR 44 11.922 6.183 -12.753 316 HG21 THR 44 1HG2 THR 44 9.675 5.008 -14.720 317 HG22 THR 44 2HG2 THR 44 9.427 5.647 -13.095 318 HG23 THR 44 3HG2 THR 44 9.104 3.947 -13.433 319 H GLU 45 HN GLU 45 11.443 4.503 -10.745 320 HA GLU 45 HA GLU 45 9.756 2.819 -9.057 321 HB2 GLU 45 2HB GLU 45 10.515 4.816 -7.413 322 HB3 GLU 45 3HB GLU 45 11.476 3.370 -7.691 323 HG2 GLU 45 2HG GLU 45 12.906 4.487 -9.195 324 HG3 GLU 45 3HG GLU 45 11.819 5.869 -9.317 325 H MET 46 HN MET 46 9.988 6.251 -8.542 326 HA MET 46 HA MET 46 8.393 7.858 -8.313 327 HB2 MET 46 2HB MET 46 7.199 6.509 -10.741 328 HB3 MET 46 3HB MET 46 6.878 8.152 -10.202 329 HG2 MET 46 2HG MET 46 9.388 8.539 -10.488 330 HG3 MET 46 3HG MET 46 9.383 7.030 -11.397 331 HE1 MET 46 1HE MET 46 9.554 10.676 -12.021 332 HE2 MET 46 2HE MET 46 10.538 9.382 -12.705 333 HE3 MET 46 3HE MET 46 9.528 10.372 -13.758 334 H ALA 47 HN ALA 47 7.240 7.601 -6.496 335 HA ALA 47 HA ALA 47 5.233 5.498 -6.313 336 HB1 ALA 47 1HB ALA 47 5.486 5.615 -4.087 337 HB2 ALA 47 2HB ALA 47 6.958 6.504 -4.475 338 HB3 ALA 47 3HB ALA 47 5.480 7.378 -4.075 339 H HIS 48 HN HIS 48 5.460 8.942 -6.734 340 HA HIS 48 HA HIS 48 2.746 9.156 -7.532 341 HB2 HIS 48 2HB HIS 48 2.169 10.864 -5.694 342 HB3 HIS 48 3HB HIS 48 2.093 9.154 -5.277 343 HD1 HIS 48 1HD HIS 48 5.063 11.536 -5.295 344 HD2 HIS 48 2HD HIS 48 2.970 9.032 -2.723 345 HE1 HIS 48 1HE HIS 48 6.322 11.603 -3.118 346 H THR 49 HN THR 49 5.543 9.867 -8.278 347 HA THR 49 HA THR 49 5.679 12.738 -8.228 348 HB THR 49 HB THR 49 7.561 12.302 -9.947 349 HG1 THR 49 1HG THR 49 8.339 10.087 -9.758 350 HG21 THR 49 1HG2 THR 49 7.491 11.609 -7.058 351 HG22 THR 49 2HG2 THR 49 8.411 12.856 -7.900 352 HG23 THR 49 3HG2 THR 49 8.937 11.174 -7.968 353 H GLU 50 HN GLU 50 6.015 10.744 -11.133 354 HA GLU 50 HA GLU 50 4.345 12.671 -12.572 355 HB2 GLU 50 2HB GLU 50 6.294 10.571 -13.522 356 HB3 GLU 50 3HB GLU 50 5.274 11.502 -14.610 357 HG2 GLU 50 2HG GLU 50 6.305 13.574 -13.619 358 HG3 GLU 50 3HG GLU 50 7.463 12.512 -12.819 359 H THR 51 HN THR 51 2.284 12.195 -12.885 360 HA THR 51 HA THR 51 0.865 10.030 -12.185 361 HB THR 51 HB THR 51 0.279 12.260 -13.670 362 HG1 THR 51 1HG THR 51 -1.901 11.332 -13.591 363 HG21 THR 51 1HG2 THR 51 0.891 11.003 -15.740 364 HG22 THR 51 2HG2 THR 51 -0.778 11.571 -15.715 365 HG23 THR 51 3HG2 THR 51 -0.418 9.877 -15.385 366 H GLY 52 HN GLY 52 0.291 8.032 -12.984 367 HA2 GLY 52 1HA GLY 52 0.403 6.819 -15.320 368 HA3 GLY 52 2HA GLY 52 2.124 6.933 -14.982 369 H TRP 53 HN TRP 53 1.035 6.667 -12.015 370 HA TRP 53 HA TRP 53 1.642 3.873 -11.834 371 HB2 TRP 53 2HB TRP 53 1.026 4.274 -9.371 372 HB3 TRP 53 3HB TRP 53 2.409 5.153 -10.016 373 HD1 TRP 53 1HD TRP 53 -1.233 5.707 -8.923 374 HE1 TRP 53 1HE TRP 53 -1.566 8.215 -8.451 375 HE3 TRP 53 3HE TRP 53 3.292 7.448 -10.547 376 HZ2 TRP 53 2HZ TRP 53 -0.105 10.615 -8.730 377 HZ3 TRP 53 3HZ TRP 53 3.744 9.863 -10.411 378 HH2 TRP 53 2HH TRP 53 2.080 11.411 -9.521 379 H SER 54 HN SER 54 0.078 2.684 -12.869 380 HA SER 54 HA SER 54 -2.721 3.100 -12.364 381 HB2 SER 54 2HB SER 54 -2.300 0.543 -13.523 382 HB3 SER 54 3HB SER 54 -2.865 2.013 -14.317 383 HG SER 54 HG SER 54 -1.056 1.620 -15.398 384 H CYS 55 HN CYS 55 -4.142 1.661 -11.313 385 HA CYS 55 HA CYS 55 -3.093 -0.552 -9.787 386 HB2 CYS 55 2HB CYS 55 -4.503 1.419 -8.076 387 HB3 CYS 55 3HB CYS 55 -3.204 0.300 -7.672 388 H HIS 56 HN HIS 56 -4.792 -1.746 -8.662 389 HA HIS 56 HA HIS 56 -6.917 -2.479 -10.107 390 HB2 HIS 56 2HB HIS 56 -6.419 -3.642 -8.071 391 HB3 HIS 56 3HB HIS 56 -6.789 -2.220 -7.100 392 HD1 HIS 56 1HD HIS 56 -8.413 -4.044 -5.894 393 HD2 HIS 56 2HD HIS 56 -9.506 -2.767 -9.693 394 HE1 HIS 56 1HE HIS 56 -10.843 -4.648 -6.132 395 H TYR 57 HN TYR 57 -7.437 -0.227 -7.391 396 HA TYR 57 HA TYR 57 -9.680 0.929 -8.899 397 HB2 TYR 57 2HB TYR 57 -10.401 1.806 -6.652 398 HB3 TYR 57 3HB TYR 57 -10.409 0.052 -6.796 399 HD1 TYR 57 1HD TYR 57 -9.349 2.793 -4.835 400 HD2 TYR 57 2HD TYR 57 -8.254 -1.163 -5.955 401 HE1 TYR 57 1HE TYR 57 -7.924 2.628 -2.838 402 HE2 TYR 57 2HE TYR 57 -6.826 -1.339 -3.959 403 HH TYR 57 HH TYR 57 -6.778 1.179 -1.506 404 H CYS 58 HN CYS 58 -7.391 1.852 -9.850 405 HA CYS 58 HA CYS 58 -6.675 4.309 -8.446 406 HB2 CYS 58 2HB CYS 58 -5.071 2.603 -9.689 407 HB3 CYS 58 3HB CYS 58 -5.502 3.577 -11.092 408 H ASP 59 HN ASP 59 -8.921 3.321 -10.690 409 HA ASP 59 HA ASP 59 -10.491 4.548 -11.828 410 HB2 ASP 59 2HB ASP 59 -8.929 7.084 -11.535 411 HB3 ASP 59 3HB ASP 59 -10.674 6.841 -11.553 412 H ASN 60 HN ASN 60 -10.270 3.813 -13.854 413 HA ASN 60 HA ASN 60 -8.210 5.072 -15.544 414 HB2 ASN 60 2HB ASN 60 -8.416 2.896 -16.913 415 HB3 ASN 60 3HB ASN 60 -7.520 2.832 -15.398 416 HD21 ASN 60 1HD2 ASN 60 -8.974 0.765 -16.948 417 HD22 ASN 60 2HD2 ASN 60 -10.077 0.053 -15.825 Start of MODEL 16 1 H1 GLU 1 HN GLU 1 3.136 5.042 6.105 2 HA GLU 1 HA GLU 1 1.854 3.209 5.688 3 HB2 GLU 1 2HB GLU 1 1.907 4.723 3.197 4 HB3 GLU 1 3HB GLU 1 1.637 3.006 2.931 5 HG2 GLU 1 2HG GLU 1 -0.391 4.551 3.259 6 HG3 GLU 1 3HG GLU 1 -0.355 3.001 4.099 7 H MET 2 HN MET 2 2.622 1.239 6.018 8 HA MET 2 HA MET 2 4.797 0.264 4.289 9 HB2 MET 2 2HB MET 2 4.324 -1.231 6.758 10 HB3 MET 2 3HB MET 2 5.826 -0.604 6.093 11 HG2 MET 2 2HG MET 2 4.886 1.693 6.895 12 HG3 MET 2 3HG MET 2 3.888 0.689 7.947 13 HE1 MET 2 1HE MET 2 7.916 1.916 7.597 14 HE2 MET 2 2HE MET 2 8.384 0.218 7.694 15 HE3 MET 2 3HE MET 2 7.274 0.756 6.432 16 H CYS 3 HN CYS 3 4.393 -1.399 2.988 17 HA CYS 3 HA CYS 3 2.044 -2.439 2.285 18 HB2 CYS 3 2HB CYS 3 4.211 -3.047 1.244 19 HB3 CYS 3 3HB CYS 3 4.536 -4.126 2.597 20 H ASP 4 HN ASP 4 0.489 -3.751 3.040 21 HA ASP 4 HA ASP 4 0.566 -4.541 5.797 22 HB2 ASP 4 2HB ASP 4 -1.449 -3.834 4.138 23 HB3 ASP 4 3HB ASP 4 -1.592 -5.588 4.063 24 H VAL 5 HN VAL 5 2.102 -5.859 3.334 25 HA VAL 5 HA VAL 5 1.692 -8.611 4.307 26 HB VAL 5 HB VAL 5 2.257 -7.739 1.471 27 HG11 VAL 5 1HG1 VAL 5 3.537 -9.669 1.692 28 HG12 VAL 5 2HG1 VAL 5 2.384 -10.425 2.792 29 HG13 VAL 5 3HG1 VAL 5 2.000 -10.275 1.078 30 HG21 VAL 5 1HG2 VAL 5 -0.119 -8.932 2.855 31 HG22 VAL 5 2HG2 VAL 5 -0.040 -7.514 1.809 32 HG23 VAL 5 3HG2 VAL 5 0.121 -9.128 1.119 33 H CYS 6 HN CYS 6 3.763 -6.085 4.239 34 HA CYS 6 HA CYS 6 6.079 -7.848 4.577 35 HB2 CYS 6 2HB CYS 6 6.109 -5.300 2.947 36 HB3 CYS 6 3HB CYS 6 7.515 -6.288 3.329 37 H GLU 7 HN GLU 7 4.657 -4.647 5.037 38 HA GLU 7 HA GLU 7 4.649 -3.343 6.934 39 HB2 GLU 7 2HB GLU 7 6.854 -4.957 8.164 40 HB3 GLU 7 3HB GLU 7 5.556 -4.070 8.952 41 HG2 GLU 7 2HG GLU 7 4.347 -6.064 7.369 42 HG3 GLU 7 3HG GLU 7 5.678 -6.824 8.241 43 H VAL 8 HN VAL 8 6.979 -3.819 4.732 44 HA VAL 8 HA VAL 8 8.628 -1.598 5.752 45 HB VAL 8 HB VAL 8 9.986 -3.074 3.696 46 HG11 VAL 8 1HG1 VAL 8 11.024 -1.563 5.325 47 HG12 VAL 8 2HG1 VAL 8 10.612 -2.688 6.622 48 HG13 VAL 8 3HG1 VAL 8 11.753 -3.168 5.365 49 HG21 VAL 8 1HG2 VAL 8 10.381 -5.118 5.205 50 HG22 VAL 8 2HG2 VAL 8 8.857 -4.670 5.971 51 HG23 VAL 8 3HG2 VAL 8 8.898 -5.063 4.252 52 H TRP 9 HN TRP 9 8.112 0.195 4.689 53 HA TRP 9 HA TRP 9 7.030 0.102 2.012 54 HB2 TRP 9 2HB TRP 9 6.500 2.371 2.289 55 HB3 TRP 9 3HB TRP 9 6.329 1.700 3.909 56 HD1 TRP 9 1HD TRP 9 8.551 2.133 5.570 57 HE1 TRP 9 1HE TRP 9 10.023 4.238 5.737 58 HE3 TRP 9 3HE TRP 9 7.406 4.283 1.075 59 HZ2 TRP 9 2HZ TRP 9 10.619 6.510 4.172 60 HZ3 TRP 9 3HZ TRP 9 8.470 6.422 0.486 61 HH2 TRP 9 2HH TRP 9 10.042 7.512 2.004 62 H THR 10 HN THR 10 9.911 -0.606 2.688 63 HA THR 10 HA THR 10 12.060 -0.074 2.003 64 HB THR 10 HB THR 10 11.914 0.222 -0.657 65 HG1 THR 10 1HG THR 10 9.849 -1.291 -0.932 66 HG21 THR 10 1HG2 THR 10 11.756 -2.282 -0.789 67 HG22 THR 10 2HG2 THR 10 11.394 -2.285 0.937 68 HG23 THR 10 3HG2 THR 10 12.946 -1.677 0.362 69 H ALA 11 HN ALA 11 10.705 1.786 -0.619 70 HA ALA 11 HA ALA 11 10.616 4.342 0.240 71 HB1 ALA 11 1HB ALA 11 13.438 3.408 0.111 72 HB2 ALA 11 2HB ALA 11 13.068 5.061 -0.381 73 HB3 ALA 11 3HB ALA 11 12.664 4.513 1.246 74 H GLU 12 HN GLU 12 12.469 2.502 -2.181 75 HA GLU 12 HA GLU 12 12.588 4.107 -4.310 76 HB2 GLU 12 2HB GLU 12 11.945 1.212 -4.068 77 HB3 GLU 12 3HB GLU 12 11.743 1.959 -5.647 78 HG2 GLU 12 2HG GLU 12 14.244 1.665 -4.026 79 HG3 GLU 12 3HG GLU 12 13.907 1.076 -5.652 80 H SER 13 HN SER 13 9.927 1.875 -4.697 81 HA SER 13 HA SER 13 8.013 4.076 -4.906 82 HB2 SER 13 2HB SER 13 9.136 3.443 -7.179 83 HB3 SER 13 3HB SER 13 8.090 2.025 -7.100 84 HG SER 13 HG SER 13 6.467 3.905 -6.572 85 H LEU 14 HN LEU 14 6.393 3.533 -3.616 86 HA LEU 14 HA LEU 14 5.821 0.746 -3.047 87 HB2 LEU 14 2HB LEU 14 5.390 3.291 -1.755 88 HB3 LEU 14 3HB LEU 14 3.905 2.344 -1.794 89 HG LEU 14 HG LEU 14 6.522 1.638 -0.488 90 HD11 LEU 14 1HD1 LEU 14 5.186 2.988 0.913 91 HD12 LEU 14 2HD1 LEU 14 4.954 1.330 1.467 92 HD13 LEU 14 3HD1 LEU 14 3.717 2.112 0.483 93 HD21 LEU 14 1HD2 LEU 14 5.944 -0.411 -1.420 94 HD22 LEU 14 2HD2 LEU 14 4.215 -0.112 -1.253 95 HD23 LEU 14 3HD2 LEU 14 5.189 -0.470 0.172 96 H PHE 15 HN PHE 15 3.537 -0.003 -3.030 97 HA PHE 15 HA PHE 15 1.829 1.276 -5.026 98 HB2 PHE 15 2HB PHE 15 2.139 -1.681 -5.239 99 HB3 PHE 15 3HB PHE 15 1.724 -0.504 -6.480 100 HD1 PHE 15 1HD PHE 15 3.618 1.117 -7.194 101 HD2 PHE 15 2HD PHE 15 4.266 -2.570 -5.168 102 HE1 PHE 15 1HE PHE 15 5.943 1.086 -8.001 103 HE2 PHE 15 2HE PHE 15 6.592 -2.607 -5.971 104 HZ PHE 15 HZ PHE 15 7.433 -0.777 -7.389 105 HA PRO 16 HA PRO 16 -0.109 1.100 -5.883 106 HB2 PRO 16 2HB PRO 16 -2.214 2.653 -5.158 107 HB3 PRO 16 3HB PRO 16 -2.394 0.976 -5.686 108 HG2 PRO 16 2HG PRO 16 -2.348 2.093 -2.910 109 HG3 PRO 16 3HG PRO 16 -3.414 0.857 -3.600 110 HD2 PRO 16 2HD PRO 16 -1.280 0.240 -2.051 111 HD3 PRO 16 3HD PRO 16 -1.840 -0.811 -3.368 112 H CYS 17 HN CYS 17 -0.850 3.706 -6.013 113 HA CYS 17 HA CYS 17 1.299 5.232 -5.741 114 HB2 CYS 17 2HB CYS 17 -1.333 6.350 -4.792 115 HB3 CYS 17 3HB CYS 17 -0.059 7.169 -5.690 116 H ARG 18 HN ARG 18 -1.123 5.447 -3.135 117 HA ARG 18 HA ARG 18 0.911 5.127 -1.106 118 HB2 ARG 18 2HB ARG 18 1.048 7.256 -0.321 119 HB3 ARG 18 3HB ARG 18 0.673 7.645 -1.995 120 HG2 ARG 18 2HG ARG 18 -1.388 7.412 0.186 121 HG3 ARG 18 3HG ARG 18 -0.641 8.927 -0.324 122 HD2 ARG 18 2HD ARG 18 -1.645 7.437 -2.586 123 HD3 ARG 18 3HD ARG 18 -2.915 7.722 -1.396 124 HE ARG 18 HE ARG 18 -1.375 10.067 -2.003 125 HH11 ARG 18 1HH1 ARG 18 -4.066 8.088 -2.986 126 HH12 ARG 18 2HH1 ARG 18 -4.874 9.373 -3.821 127 HH21 ARG 18 1HH2 ARG 18 -2.430 11.766 -3.099 128 HH22 ARG 18 2HH2 ARG 18 -3.942 11.464 -3.885 129 H VAL 19 HN VAL 19 -2.423 5.825 -1.971 130 HA VAL 19 HA VAL 19 -3.283 4.539 0.540 131 HB VAL 19 HB VAL 19 -4.615 6.732 -1.044 132 HG11 VAL 19 1HG1 VAL 19 -6.536 5.673 -0.535 133 HG12 VAL 19 2HG1 VAL 19 -5.787 4.697 0.729 134 HG13 VAL 19 3HG1 VAL 19 -6.262 6.362 1.065 135 HG21 VAL 19 1HG2 VAL 19 -2.955 6.665 1.270 136 HG22 VAL 19 2HG2 VAL 19 -3.689 8.059 0.477 137 HG23 VAL 19 3HG2 VAL 19 -4.566 7.203 1.745 138 H CYS 20 HN CYS 20 -5.387 5.374 -2.122 139 HA CYS 20 HA CYS 20 -6.974 4.011 -3.115 140 HB2 CYS 20 2HB CYS 20 -4.849 2.261 -4.164 141 HB3 CYS 20 3HB CYS 20 -6.030 3.244 -5.025 142 H THR 21 HN THR 21 -6.936 3.200 -0.555 143 HA THR 21 HA THR 21 -7.723 1.451 0.696 144 HB THR 21 HB THR 21 -7.263 -0.694 -1.257 145 HG1 THR 21 1HG THR 21 -9.310 0.306 -2.346 146 HG21 THR 21 1HG2 THR 21 -8.676 -1.338 0.436 147 HG22 THR 21 2HG2 THR 21 -9.854 -0.806 -0.764 148 HG23 THR 21 3HG2 THR 21 -9.414 0.257 0.573 149 H ARG 22 HN ARG 22 -6.234 1.135 2.232 150 HA ARG 22 HA ARG 22 -4.214 0.596 3.204 151 HB2 ARG 22 2HB ARG 22 -5.761 -1.622 2.591 152 HB3 ARG 22 3HB ARG 22 -4.156 -2.071 2.031 153 HG2 ARG 22 2HG ARG 22 -3.316 -2.203 4.117 154 HG3 ARG 22 3HG ARG 22 -4.285 -0.852 4.708 155 HD2 ARG 22 2HD ARG 22 -6.276 -2.351 4.661 156 HD3 ARG 22 3HD ARG 22 -5.201 -3.686 4.246 157 HE ARG 22 HE ARG 22 -4.268 -2.423 6.581 158 HH11 ARG 22 1HH1 ARG 22 -6.873 -4.443 5.461 159 HH12 ARG 22 2HH1 ARG 22 -7.129 -5.191 7.002 160 HH21 ARG 22 1HH2 ARG 22 -4.595 -3.403 8.615 161 HH22 ARG 22 2HH2 ARG 22 -5.833 -4.599 8.796 162 H VAL 23 HN VAL 23 -2.365 -1.436 2.324 163 HA VAL 23 HA VAL 23 -1.252 -0.268 -0.129 164 HB VAL 23 HB VAL 23 1.022 -0.338 0.901 165 HG11 VAL 23 1HG1 VAL 23 -0.845 1.641 0.959 166 HG12 VAL 23 2HG1 VAL 23 -0.384 1.539 2.659 167 HG13 VAL 23 3HG1 VAL 23 0.844 1.837 1.428 168 HG21 VAL 23 1HG2 VAL 23 0.183 -1.897 2.773 169 HG22 VAL 23 2HG2 VAL 23 1.369 -0.657 3.182 170 HG23 VAL 23 3HG2 VAL 23 -0.334 -0.412 3.573 171 H PHE 24 HN PHE 24 -0.318 -1.703 -1.484 172 HA PHE 24 HA PHE 24 0.478 -4.328 -0.530 173 HB2 PHE 24 2HB PHE 24 -1.017 -4.924 -2.828 174 HB3 PHE 24 3HB PHE 24 -1.400 -5.365 -1.167 175 HD1 PHE 24 1HD PHE 24 -3.079 -4.187 0.078 176 HD2 PHE 24 2HD PHE 24 -2.071 -3.002 -3.884 177 HE1 PHE 24 1HE PHE 24 -5.104 -2.791 -0.016 178 HE2 PHE 24 2HE PHE 24 -4.094 -1.604 -3.983 179 HZ PHE 24 HZ PHE 24 -5.613 -1.497 -2.048 180 H HIS 25 HN HIS 25 2.444 -4.572 -1.345 181 HA HIS 25 HA HIS 25 3.626 -3.109 -3.352 182 HB2 HIS 25 2HB HIS 25 4.201 -5.889 -2.340 183 HB3 HIS 25 3HB HIS 25 5.207 -5.116 -3.561 184 HD2 HIS 25 2HD HIS 25 4.674 -2.175 -1.611 185 HE1 HIS 25 1HE HIS 25 7.535 -4.263 0.722 186 HE2 HIS 25 2HE HIS 25 6.351 -2.071 0.355 187 H ASP 26 HN ASP 26 4.659 -4.419 -5.358 188 HA ASP 26 HA ASP 26 2.360 -5.057 -7.026 189 HB2 ASP 26 2HB ASP 26 4.256 -3.453 -7.683 190 HB3 ASP 26 3HB ASP 26 5.225 -4.902 -7.945 191 H GLY 27 HN GLY 27 5.107 -6.610 -5.562 192 HA2 GLY 27 1HA GLY 27 4.732 -9.038 -7.141 193 HA3 GLY 27 2HA GLY 27 6.006 -8.748 -5.965 194 H CYS 28 HN CYS 28 3.951 -7.775 -4.003 195 HA CYS 28 HA CYS 28 3.547 -10.231 -2.663 196 HB2 CYS 28 2HB CYS 28 2.660 -7.407 -2.208 197 HB3 CYS 28 3HB CYS 28 1.948 -8.701 -1.250 198 H LEU 29 HN LEU 29 1.058 -7.937 -3.795 199 HA LEU 29 HA LEU 29 -1.204 -9.329 -3.507 200 HB2 LEU 29 2HB LEU 29 -0.427 -7.875 -6.031 201 HB3 LEU 29 3HB LEU 29 -2.073 -8.294 -5.558 202 HG LEU 29 HG LEU 29 -0.380 -6.549 -3.805 203 HD11 LEU 29 1HD1 LEU 29 -0.675 -5.824 -6.351 204 HD12 LEU 29 2HD1 LEU 29 -0.735 -4.669 -5.020 205 HD13 LEU 29 3HD1 LEU 29 -2.232 -5.274 -5.731 206 HD21 LEU 29 1HD2 LEU 29 -2.923 -5.656 -3.662 207 HD22 LEU 29 2HD2 LEU 29 -2.255 -6.902 -2.607 208 HD23 LEU 29 3HD2 LEU 29 -3.203 -7.359 -4.024 209 H ARG 30 HN ARG 30 1.197 -9.938 -6.022 210 HA ARG 30 HA ARG 30 -0.301 -11.930 -7.382 211 HB2 ARG 30 2HB ARG 30 2.452 -10.873 -7.470 212 HB3 ARG 30 3HB ARG 30 2.274 -12.543 -7.993 213 HG2 ARG 30 2HG ARG 30 0.702 -11.910 -9.686 214 HG3 ARG 30 3HG ARG 30 0.663 -10.251 -9.089 215 HD2 ARG 30 2HD ARG 30 2.897 -9.857 -9.778 216 HD3 ARG 30 3HD ARG 30 3.177 -11.570 -10.083 217 HE ARG 30 HE ARG 30 1.936 -9.678 -11.848 218 HH11 ARG 30 1HH1 ARG 30 2.173 -13.042 -10.982 219 HH12 ARG 30 2HH1 ARG 30 1.695 -13.613 -12.546 220 HH21 ARG 30 1HH2 ARG 30 1.305 -10.418 -13.911 221 HH22 ARG 30 2HH2 ARG 30 1.201 -12.120 -14.211 222 H ARG 31 HN ARG 31 2.552 -12.228 -5.256 223 HA ARG 31 HA ARG 31 2.640 -14.970 -5.048 224 HB2 ARG 31 2HB ARG 31 3.645 -12.710 -3.509 225 HB3 ARG 31 3HB ARG 31 3.310 -14.109 -2.496 226 HG2 ARG 31 2HG ARG 31 5.202 -15.049 -3.140 227 HG3 ARG 31 3HG ARG 31 4.675 -14.997 -4.824 228 HD2 ARG 31 2HD ARG 31 6.662 -13.788 -4.846 229 HD3 ARG 31 3HD ARG 31 5.424 -12.536 -4.757 230 HE ARG 31 HE ARG 31 6.342 -13.325 -2.174 231 HH11 ARG 31 1HH1 ARG 31 7.109 -11.364 -4.947 232 HH12 ARG 31 2HH1 ARG 31 8.071 -10.238 -4.048 233 HH21 ARG 31 1HH2 ARG 31 7.608 -11.850 -0.980 234 HH22 ARG 31 2HH2 ARG 31 8.355 -10.516 -1.792 235 H MET 32 HN MET 32 1.231 -12.898 -2.508 236 HA MET 32 HA MET 32 -0.023 -14.791 -1.010 237 HB2 MET 32 2HB MET 32 -1.083 -12.048 -1.714 238 HB3 MET 32 3HB MET 32 -1.679 -13.043 -0.391 239 HG2 MET 32 2HG MET 32 1.111 -11.948 -0.665 240 HG3 MET 32 3HG MET 32 -0.149 -11.338 0.406 241 HE1 MET 32 1HE MET 32 -1.493 -13.279 1.914 242 HE2 MET 32 2HE MET 32 -0.445 -13.940 3.169 243 HE3 MET 32 3HE MET 32 -0.464 -12.203 2.860 244 H GLY 33 HN GLY 33 -1.027 -13.564 -4.127 245 HA2 GLY 33 1HA GLY 33 -2.344 -14.933 -5.591 246 HA3 GLY 33 2HA GLY 33 -3.126 -15.625 -4.178 247 H TYR 34 HN TYR 34 -2.736 -12.266 -3.970 248 HA TYR 34 HA TYR 34 -5.518 -11.787 -3.911 249 HB2 TYR 34 2HB TYR 34 -3.060 -10.127 -3.758 250 HB3 TYR 34 3HB TYR 34 -4.550 -9.300 -4.196 251 HD1 TYR 34 1HD TYR 34 -6.626 -10.062 -2.625 252 HD2 TYR 34 2HD TYR 34 -2.516 -10.121 -1.524 253 HE1 TYR 34 1HE TYR 34 -7.267 -9.953 -0.253 254 HE2 TYR 34 2HE TYR 34 -3.145 -10.013 0.852 255 HH TYR 34 HH TYR 34 -5.858 -9.017 1.991 256 H ILE 35 HN ILE 35 -3.606 -9.654 -5.896 257 HA ILE 35 HA ILE 35 -5.582 -9.571 -7.933 258 HB ILE 35 HB ILE 35 -4.160 -8.044 -9.087 259 HG12 ILE 35 2HG1 ILE 35 -1.791 -7.820 -7.674 260 HG13 ILE 35 3HG1 ILE 35 -2.048 -9.560 -7.752 261 HG21 ILE 35 1HG2 ILE 35 -3.475 -6.494 -7.204 262 HG22 ILE 35 2HG2 ILE 35 -5.160 -7.014 -7.218 263 HG23 ILE 35 3HG2 ILE 35 -4.017 -7.758 -6.100 264 HD11 ILE 35 1HD1 ILE 35 -1.570 -9.645 -9.929 265 HD12 ILE 35 2HD1 ILE 35 -2.479 -8.177 -10.288 266 HD13 ILE 35 3HD1 ILE 35 -0.832 -8.065 -9.665 267 H GLN 36 HN GLN 36 -4.480 -9.614 -10.334 268 HA GLN 36 HA GLN 36 -3.393 -12.338 -10.613 269 HB2 GLN 36 2HB GLN 36 -5.355 -10.821 -12.323 270 HB3 GLN 36 3HB GLN 36 -4.489 -12.230 -12.923 271 HG2 GLN 36 2HG GLN 36 -5.478 -13.182 -10.586 272 HG3 GLN 36 3HG GLN 36 -6.742 -12.048 -11.061 273 HE21 GLN 36 1HE2 GLN 36 -4.740 -14.660 -12.371 274 HE22 GLN 36 2HE2 GLN 36 -5.967 -15.324 -13.390 275 H GLY 37 HN GLY 37 -3.787 -9.853 -13.088 276 HA2 GLY 37 1HA GLY 37 -0.859 -9.914 -13.469 277 HA3 GLY 37 2HA GLY 37 -2.021 -9.687 -14.768 278 H ASP 38 HN ASP 38 0.041 -7.934 -14.526 279 HA ASP 38 HA ASP 38 -1.384 -5.463 -14.021 280 HB2 ASP 38 2HB ASP 38 0.570 -4.568 -12.658 281 HB3 ASP 38 3HB ASP 38 -0.487 -5.715 -11.840 282 H SER 39 HN SER 39 0.508 -3.612 -14.311 283 HA SER 39 HA SER 39 1.316 -3.967 -17.057 284 HB2 SER 39 2HB SER 39 1.898 -1.597 -15.275 285 HB3 SER 39 3HB SER 39 1.849 -1.633 -17.038 286 HG SER 39 HG SER 39 -0.383 -2.017 -16.908 287 H ALA 40 HN ALA 40 3.633 -2.294 -16.998 288 HA ALA 40 HA ALA 40 5.589 -3.803 -15.436 289 HB1 ALA 40 1HB ALA 40 5.883 -3.451 -18.414 290 HB2 ALA 40 2HB ALA 40 6.971 -4.315 -17.328 291 HB3 ALA 40 3HB ALA 40 5.352 -4.942 -17.635 292 H ALA 41 HN ALA 41 7.155 -2.539 -14.645 293 HA ALA 41 HA ALA 41 8.300 -0.334 -15.965 294 HB1 ALA 41 1HB ALA 41 7.410 1.468 -14.455 295 HB2 ALA 41 2HB ALA 41 6.262 0.840 -15.639 296 HB3 ALA 41 3HB ALA 41 6.160 0.328 -13.954 297 H GLU 42 HN GLU 42 7.542 0.171 -12.631 298 HA GLU 42 HA GLU 42 8.975 0.389 -10.848 299 HB2 GLU 42 2HB GLU 42 8.567 -2.347 -11.556 300 HB3 GLU 42 3HB GLU 42 10.205 -2.172 -10.942 301 HG2 GLU 42 2HG GLU 42 7.943 -0.955 -9.434 302 HG3 GLU 42 3HG GLU 42 8.228 -2.692 -9.327 303 H VAL 43 HN VAL 43 10.487 1.899 -11.505 304 HA VAL 43 HA VAL 43 13.093 0.779 -12.285 305 HB VAL 43 HB VAL 43 12.938 3.419 -13.305 306 HG11 VAL 43 1HG1 VAL 43 13.422 2.319 -15.426 307 HG12 VAL 43 2HG1 VAL 43 14.381 1.617 -14.121 308 HG13 VAL 43 3HG1 VAL 43 12.965 0.763 -14.733 309 HG21 VAL 43 1HG2 VAL 43 10.467 3.021 -13.242 310 HG22 VAL 43 2HG2 VAL 43 11.117 3.344 -14.849 311 HG23 VAL 43 3HG2 VAL 43 10.712 1.694 -14.377 312 H THR 44 HN THR 44 11.501 3.762 -11.151 313 HA THR 44 HA THR 44 12.994 3.922 -8.769 314 HB THR 44 HB THR 44 14.908 4.464 -10.111 315 HG1 THR 44 1HG THR 44 13.756 6.824 -8.997 316 HG21 THR 44 1HG2 THR 44 14.296 6.899 -11.354 317 HG22 THR 44 2HG2 THR 44 12.959 5.818 -11.748 318 HG23 THR 44 3HG2 THR 44 14.614 5.351 -12.137 319 H GLU 45 HN GLU 45 11.853 5.138 -7.404 320 HA GLU 45 HA GLU 45 10.590 7.587 -8.213 321 HB2 GLU 45 2HB GLU 45 9.068 5.454 -8.771 322 HB3 GLU 45 3HB GLU 45 8.630 5.662 -7.081 323 HG2 GLU 45 2HG GLU 45 8.488 8.218 -8.143 324 HG3 GLU 45 3HG GLU 45 7.823 7.178 -9.401 325 H MET 46 HN MET 46 8.600 7.387 -6.043 326 HA MET 46 HA MET 46 10.079 6.950 -3.616 327 HB2 MET 46 2HB MET 46 9.468 9.743 -4.567 328 HB3 MET 46 3HB MET 46 9.731 9.367 -2.870 329 HG2 MET 46 2HG MET 46 11.936 8.285 -3.756 330 HG3 MET 46 3HG MET 46 11.657 9.341 -5.139 331 HE1 MET 46 1HE MET 46 10.908 10.467 -1.158 332 HE2 MET 46 2HE MET 46 11.829 8.989 -1.435 333 HE3 MET 46 3HE MET 46 12.643 10.438 -0.844 334 H ALA 47 HN ALA 47 7.650 5.954 -4.717 335 HA ALA 47 HA ALA 47 5.535 5.433 -4.062 336 HB1 ALA 47 1HB ALA 47 5.000 5.521 -1.791 337 HB2 ALA 47 2HB ALA 47 6.760 5.403 -1.810 338 HB3 ALA 47 3HB ALA 47 5.984 6.960 -1.520 339 H HIS 48 HN HIS 48 4.164 6.486 -5.376 340 HA HIS 48 HA HIS 48 2.876 8.150 -6.275 341 HB2 HIS 48 2HB HIS 48 1.363 9.198 -4.699 342 HB3 HIS 48 3HB HIS 48 1.624 7.522 -4.223 343 HD1 HIS 48 1HD HIS 48 3.066 7.117 -2.075 344 HD2 HIS 48 2HD HIS 48 2.191 11.101 -2.863 345 HE1 HIS 48 1HE HIS 48 3.606 8.356 0.045 346 H THR 49 HN THR 49 5.025 9.115 -6.962 347 HA THR 49 HA THR 49 5.126 11.886 -6.003 348 HB THR 49 HB THR 49 7.765 11.011 -6.779 349 HG1 THR 49 1HG THR 49 6.592 9.673 -4.548 350 HG21 THR 49 1HG2 THR 49 8.423 12.285 -4.975 351 HG22 THR 49 2HG2 THR 49 7.018 11.836 -4.008 352 HG23 THR 49 3HG2 THR 49 6.849 12.997 -5.325 353 H GLU 50 HN GLU 50 7.128 10.079 -8.311 354 HA GLU 50 HA GLU 50 7.023 12.089 -10.278 355 HB2 GLU 50 2HB GLU 50 8.082 9.352 -10.066 356 HB3 GLU 50 3HB GLU 50 7.652 9.842 -11.699 357 HG2 GLU 50 2HG GLU 50 9.195 11.591 -11.709 358 HG3 GLU 50 3HG GLU 50 9.365 11.569 -9.954 359 H THR 51 HN THR 51 4.808 12.587 -10.548 360 HA THR 51 HA THR 51 2.921 12.572 -11.847 361 HB THR 51 HB THR 51 3.630 9.868 -12.951 362 HG1 THR 51 1HG THR 51 5.397 10.731 -13.722 363 HG21 THR 51 1HG2 THR 51 1.563 10.524 -13.776 364 HG22 THR 51 2HG2 THR 51 2.662 11.113 -15.024 365 HG23 THR 51 3HG2 THR 51 2.009 12.228 -13.825 366 H GLY 52 HN GLY 52 3.739 9.318 -10.639 367 HA2 GLY 52 1HA GLY 52 2.284 8.726 -8.633 368 HA3 GLY 52 2HA GLY 52 0.946 9.061 -9.722 369 H TRP 53 HN TRP 53 1.815 6.583 -8.290 370 HA TRP 53 HA TRP 53 2.626 4.782 -10.398 371 HB2 TRP 53 2HB TRP 53 3.428 4.375 -8.137 372 HB3 TRP 53 3HB TRP 53 1.774 4.262 -7.543 373 HD1 TRP 53 1HD TRP 53 0.721 1.911 -7.512 374 HE1 TRP 53 1HE TRP 53 1.394 -0.401 -8.421 375 HE3 TRP 53 3HE TRP 53 4.791 3.283 -10.286 376 HZ2 TRP 53 2HZ TRP 53 3.386 -1.498 -10.093 377 HZ3 TRP 53 3HZ TRP 53 6.025 1.541 -11.510 378 HH2 TRP 53 2HH TRP 53 5.336 -0.800 -11.413 379 H SER 54 HN SER 54 1.381 3.038 -11.196 380 HA SER 54 HA SER 54 -1.436 3.678 -11.444 381 HB2 SER 54 2HB SER 54 -0.926 1.284 -12.814 382 HB3 SER 54 3HB SER 54 -1.035 2.901 -13.509 383 HG SER 54 HG SER 54 1.011 1.479 -13.703 384 H CYS 55 HN CYS 55 -3.137 2.233 -10.983 385 HA CYS 55 HA CYS 55 -2.586 -0.197 -9.510 386 HB2 CYS 55 2HB CYS 55 -4.426 1.580 -8.034 387 HB3 CYS 55 3HB CYS 55 -3.221 0.449 -7.428 388 H HIS 56 HN HIS 56 -4.612 -1.360 -8.950 389 HA HIS 56 HA HIS 56 -6.237 -1.837 -11.062 390 HB2 HIS 56 2HB HIS 56 -6.101 -2.970 -8.704 391 HB3 HIS 56 3HB HIS 56 -7.461 -1.917 -8.327 392 HD1 HIS 56 1HD HIS 56 -6.538 -4.969 -10.224 393 HD2 HIS 56 2HD HIS 56 -9.853 -2.515 -9.724 394 HE1 HIS 56 1HE HIS 56 -8.476 -6.252 -11.185 395 H TYR 57 HN TYR 57 -7.418 0.057 -8.279 396 HA TYR 57 HA TYR 57 -9.589 1.154 -9.752 397 HB2 TYR 57 2HB TYR 57 -8.454 2.263 -7.185 398 HB3 TYR 57 3HB TYR 57 -10.106 2.388 -7.779 399 HD1 TYR 57 1HD TYR 57 -11.390 0.137 -8.060 400 HD2 TYR 57 2HD TYR 57 -7.912 0.604 -5.654 401 HE1 TYR 57 1HE TYR 57 -12.003 -1.880 -6.793 402 HE2 TYR 57 2HE TYR 57 -8.514 -1.412 -4.381 403 HH TYR 57 HH TYR 57 -11.425 -2.721 -4.281 404 H CYS 58 HN CYS 58 -6.387 1.769 -10.013 405 HA CYS 58 HA CYS 58 -6.786 4.617 -10.647 406 HB2 CYS 58 2HB CYS 58 -4.361 3.060 -9.787 407 HB3 CYS 58 3HB CYS 58 -4.197 4.606 -10.613 408 H ASP 59 HN ASP 59 -7.398 2.202 -12.311 409 HA ASP 59 HA ASP 59 -7.338 1.659 -14.520 410 HB2 ASP 59 2HB ASP 59 -6.836 4.399 -14.463 411 HB3 ASP 59 3HB ASP 59 -5.559 3.745 -15.484 412 H ASN 60 HN ASN 60 -5.797 1.032 -16.309 413 HA ASN 60 HA ASN 60 -3.021 0.848 -15.840 414 HB2 ASN 60 2HB ASN 60 -2.962 -1.668 -15.497 415 HB3 ASN 60 3HB ASN 60 -3.478 -0.717 -14.107 416 HD21 ASN 60 1HD2 ASN 60 -4.870 -1.952 -13.057 417 HD22 ASN 60 2HD2 ASN 60 -6.249 -2.729 -13.751 Start of MODEL 17 1 H1 GLU 1 HN GLU 1 3.133 4.506 5.551 2 HA GLU 1 HA GLU 1 1.014 2.824 4.394 3 HB2 GLU 1 2HB GLU 1 3.159 3.985 2.656 4 HB3 GLU 1 3HB GLU 1 1.564 3.394 2.208 5 HG2 GLU 1 2HG GLU 1 0.885 5.496 2.166 6 HG3 GLU 1 3HG GLU 1 1.075 5.532 3.918 7 H MET 2 HN MET 2 1.554 0.789 4.814 8 HA MET 2 HA MET 2 4.228 -0.133 4.100 9 HB2 MET 2 2HB MET 2 3.191 -1.245 6.638 10 HB3 MET 2 3HB MET 2 4.845 -0.901 6.152 11 HG2 MET 2 2HG MET 2 4.185 1.568 6.409 12 HG3 MET 2 3HG MET 2 2.804 0.949 7.312 13 HE1 MET 2 1HE MET 2 6.318 1.496 6.835 14 HE2 MET 2 2HE MET 2 6.526 2.297 8.392 15 HE3 MET 2 3HE MET 2 7.201 0.688 8.131 16 H CYS 3 HN CYS 3 3.961 -1.779 2.758 17 HA CYS 3 HA CYS 3 1.759 -3.017 1.913 18 HB2 CYS 3 2HB CYS 3 3.987 -3.519 1.025 19 HB3 CYS 3 3HB CYS 3 4.372 -4.434 2.478 20 H ASP 4 HN ASP 4 0.095 -3.924 2.904 21 HA ASP 4 HA ASP 4 0.048 -4.741 5.575 22 HB2 ASP 4 2HB ASP 4 -1.875 -4.242 3.805 23 HB3 ASP 4 3HB ASP 4 -1.854 -5.996 3.652 24 H VAL 5 HN VAL 5 1.370 -6.294 2.883 25 HA VAL 5 HA VAL 5 1.146 -8.960 4.077 26 HB VAL 5 HB VAL 5 2.285 -8.144 1.400 27 HG11 VAL 5 1HG1 VAL 5 1.887 -10.812 2.719 28 HG12 VAL 5 2HG1 VAL 5 2.001 -10.643 0.967 29 HG13 VAL 5 3HG1 VAL 5 3.349 -10.149 1.991 30 HG21 VAL 5 1HG2 VAL 5 -0.021 -7.760 1.259 31 HG22 VAL 5 2HG2 VAL 5 0.191 -9.381 0.594 32 HG23 VAL 5 3HG2 VAL 5 -0.408 -9.174 2.240 33 H CYS 6 HN CYS 6 3.250 -6.330 3.978 34 HA CYS 6 HA CYS 6 5.426 -7.997 5.025 35 HB2 CYS 6 2HB CYS 6 5.778 -5.743 3.038 36 HB3 CYS 6 3HB CYS 6 7.082 -6.635 3.815 37 H GLU 7 HN GLU 7 4.627 -4.565 4.447 38 HA GLU 7 HA GLU 7 4.349 -2.855 5.963 39 HB2 GLU 7 2HB GLU 7 5.376 -4.528 8.221 40 HB3 GLU 7 3HB GLU 7 4.184 -3.236 8.245 41 HG2 GLU 7 2HG GLU 7 3.110 -5.259 6.626 42 HG3 GLU 7 3HG GLU 7 3.795 -6.061 8.038 43 H VAL 8 HN VAL 8 6.229 -2.222 4.608 44 HA VAL 8 HA VAL 8 8.347 -1.277 6.257 45 HB VAL 8 HB VAL 8 9.964 -2.535 4.413 46 HG11 VAL 8 1HG1 VAL 8 10.954 -3.552 6.260 47 HG12 VAL 8 2HG1 VAL 8 10.156 -2.138 6.950 48 HG13 VAL 8 3HG1 VAL 8 9.418 -3.733 7.105 49 HG21 VAL 8 1HG2 VAL 8 8.167 -4.682 5.493 50 HG22 VAL 8 2HG2 VAL 8 7.888 -3.953 3.912 51 HG23 VAL 8 3HG2 VAL 8 9.400 -4.799 4.237 52 H TRP 9 HN TRP 9 8.029 0.738 5.451 53 HA TRP 9 HA TRP 9 7.887 1.181 2.589 54 HB2 TRP 9 2HB TRP 9 6.515 2.760 3.449 55 HB3 TRP 9 3HB TRP 9 7.312 2.730 5.020 56 HD1 TRP 9 1HD TRP 9 9.304 4.458 5.423 57 HE1 TRP 9 1HE TRP 9 10.012 6.597 4.181 58 HE3 TRP 9 3HE TRP 9 6.642 3.810 1.107 59 HZ2 TRP 9 2HZ TRP 9 9.509 7.846 1.700 60 HZ3 TRP 9 3HZ TRP 9 6.809 5.523 -0.651 61 HH2 TRP 9 2HH TRP 9 8.214 7.499 -0.359 62 H THR 10 HN THR 10 9.259 2.894 1.597 63 HA THR 10 HA THR 10 11.899 3.203 2.797 64 HB THR 10 HB THR 10 12.499 2.624 0.132 65 HG1 THR 10 1HG THR 10 11.538 0.250 0.525 66 HG21 THR 10 1HG2 THR 10 13.579 2.064 2.487 67 HG22 THR 10 2HG2 THR 10 13.978 1.131 1.045 68 HG23 THR 10 3HG2 THR 10 12.802 0.508 2.202 69 H ALA 11 HN ALA 11 11.004 3.589 -0.591 70 HA ALA 11 HA ALA 11 10.176 6.210 -0.657 71 HB1 ALA 11 1HB ALA 11 13.033 5.971 -0.104 72 HB2 ALA 11 2HB ALA 11 12.662 6.998 -1.490 73 HB3 ALA 11 3HB ALA 11 11.950 7.352 0.085 74 H GLU 12 HN GLU 12 12.026 3.654 -2.117 75 HA GLU 12 HA GLU 12 12.356 4.483 -4.708 76 HB2 GLU 12 2HB GLU 12 11.732 1.805 -3.516 77 HB3 GLU 12 3HB GLU 12 11.822 1.985 -5.263 78 HG2 GLU 12 2HG GLU 12 14.116 3.139 -4.687 79 HG3 GLU 12 3HG GLU 12 13.969 2.173 -3.220 80 H SER 13 HN SER 13 9.876 2.055 -4.428 81 HA SER 13 HA SER 13 7.765 3.850 -5.280 82 HB2 SER 13 2HB SER 13 7.282 2.522 -7.335 83 HB3 SER 13 3HB SER 13 8.821 3.379 -7.413 84 HG SER 13 HG SER 13 9.877 1.528 -7.341 85 H LEU 14 HN LEU 14 6.422 3.264 -3.663 86 HA LEU 14 HA LEU 14 5.981 0.433 -3.105 87 HB2 LEU 14 2HB LEU 14 5.973 2.782 -1.553 88 HB3 LEU 14 3HB LEU 14 4.314 2.185 -1.565 89 HG LEU 14 HG LEU 14 6.766 0.704 -0.621 90 HD11 LEU 14 1HD1 LEU 14 6.247 1.393 1.426 91 HD12 LEU 14 2HD1 LEU 14 4.553 0.955 1.216 92 HD13 LEU 14 3HD1 LEU 14 5.128 2.534 0.681 93 HD21 LEU 14 1HD2 LEU 14 5.198 -1.082 0.009 94 HD22 LEU 14 2HD2 LEU 14 5.267 -0.840 -1.737 95 HD23 LEU 14 3HD2 LEU 14 3.900 -0.216 -0.812 96 H PHE 15 HN PHE 15 3.857 -0.474 -3.042 97 HA PHE 15 HA PHE 15 2.042 0.785 -4.982 98 HB2 PHE 15 2HB PHE 15 2.615 -2.072 -4.270 99 HB3 PHE 15 3HB PHE 15 1.074 -1.641 -5.003 100 HD1 PHE 15 1HD PHE 15 4.662 -0.760 -5.557 101 HD2 PHE 15 2HD PHE 15 0.971 -2.034 -7.251 102 HE1 PHE 15 1HE PHE 15 5.709 -0.827 -7.783 103 HE2 PHE 15 2HE PHE 15 2.012 -2.103 -9.478 104 HZ PHE 15 HZ PHE 15 4.384 -1.499 -9.747 105 HA PRO 16 HA PRO 16 -0.082 -0.020 -5.699 106 HB2 PRO 16 2HB PRO 16 -2.157 1.721 -5.878 107 HB3 PRO 16 3HB PRO 16 -2.360 0.029 -5.409 108 HG2 PRO 16 2HG PRO 16 -2.220 2.470 -3.681 109 HG3 PRO 16 3HG PRO 16 -3.312 1.078 -3.564 110 HD2 PRO 16 2HD PRO 16 -1.133 1.356 -1.983 111 HD3 PRO 16 3HD PRO 16 -1.736 -0.229 -2.506 112 H CYS 17 HN CYS 17 -0.466 3.110 -4.018 113 HA CYS 17 HA CYS 17 1.700 4.256 -5.544 114 HB2 CYS 17 2HB CYS 17 0.456 5.979 -6.635 115 HB3 CYS 17 3HB CYS 17 -0.332 4.454 -7.029 116 H ARG 18 HN ARG 18 0.834 6.979 -5.078 117 HA ARG 18 HA ARG 18 1.964 7.488 -2.612 118 HB2 ARG 18 2HB ARG 18 1.834 9.530 -3.505 119 HB3 ARG 18 3HB ARG 18 0.607 8.999 -4.647 120 HG2 ARG 18 2HG ARG 18 -0.330 10.791 -3.436 121 HG3 ARG 18 3HG ARG 18 -1.083 9.323 -2.811 122 HD2 ARG 18 2HD ARG 18 -0.496 10.024 -0.780 123 HD3 ARG 18 3HD ARG 18 1.167 9.655 -1.230 124 HE ARG 18 HE ARG 18 1.589 11.906 -1.422 125 HH11 ARG 18 1HH1 ARG 18 -1.842 11.374 -1.167 126 HH12 ARG 18 2HH1 ARG 18 -2.219 13.052 -0.963 127 HH21 ARG 18 1HH2 ARG 18 1.106 14.119 -1.154 128 HH22 ARG 18 2HH2 ARG 18 -0.542 14.614 -0.957 129 H VAL 19 HN VAL 19 -1.423 6.937 -3.425 130 HA VAL 19 HA VAL 19 -1.983 6.568 -0.569 131 HB VAL 19 HB VAL 19 -2.938 8.657 -0.732 132 HG11 VAL 19 1HG1 VAL 19 -2.856 8.135 -3.536 133 HG12 VAL 19 2HG1 VAL 19 -4.457 8.741 -3.110 134 HG13 VAL 19 3HG1 VAL 19 -3.021 9.679 -2.700 135 HG21 VAL 19 1HG2 VAL 19 -4.640 6.577 -0.483 136 HG22 VAL 19 2HG2 VAL 19 -5.120 8.266 -0.311 137 HG23 VAL 19 3HG2 VAL 19 -5.374 7.428 -1.843 138 H CYS 20 HN CYS 20 -4.305 6.669 -3.209 139 HA CYS 20 HA CYS 20 -5.816 5.116 -3.925 140 HB2 CYS 20 2HB CYS 20 -3.151 4.105 -4.345 141 HB3 CYS 20 3HB CYS 20 -4.258 2.768 -4.050 142 H THR 21 HN THR 21 -6.045 2.378 -3.536 143 HA THR 21 HA THR 21 -7.163 2.317 -0.891 144 HB THR 21 HB THR 21 -7.803 -0.034 -1.491 145 HG1 THR 21 1HG THR 21 -6.726 0.645 -4.041 146 HG21 THR 21 1HG2 THR 21 -9.343 0.661 -3.374 147 HG22 THR 21 2HG2 THR 21 -8.532 2.227 -3.345 148 HG23 THR 21 3HG2 THR 21 -9.409 1.662 -1.924 149 H ARG 22 HN ARG 22 -6.185 1.666 0.904 150 HA ARG 22 HA ARG 22 -4.377 1.054 2.215 151 HB2 ARG 22 2HB ARG 22 -6.004 -1.001 1.590 152 HB3 ARG 22 3HB ARG 22 -4.483 -1.636 0.980 153 HG2 ARG 22 2HG ARG 22 -3.668 -1.996 3.032 154 HG3 ARG 22 3HG ARG 22 -4.309 -0.476 3.660 155 HD2 ARG 22 2HD ARG 22 -6.236 -2.644 3.020 156 HD3 ARG 22 3HD ARG 22 -5.230 -2.832 4.456 157 HE ARG 22 HE ARG 22 -7.452 -1.084 4.147 158 HH11 ARG 22 1HH1 ARG 22 -4.346 -1.390 5.687 159 HH12 ARG 22 2HH1 ARG 22 -4.745 -0.327 6.996 160 HH21 ARG 22 1HH2 ARG 22 -7.989 0.318 5.865 161 HH22 ARG 22 2HH2 ARG 22 -6.818 0.643 7.097 162 H VAL 23 HN VAL 23 -2.650 -1.256 1.560 163 HA VAL 23 HA VAL 23 -1.026 -0.214 -0.639 164 HB VAL 23 HB VAL 23 1.035 -0.399 0.734 165 HG11 VAL 23 1HG1 VAL 23 -0.449 1.580 2.283 166 HG12 VAL 23 2HG1 VAL 23 0.913 1.791 1.182 167 HG13 VAL 23 3HG1 VAL 23 -0.729 1.690 0.546 168 HG21 VAL 23 1HG2 VAL 23 0.189 -1.901 2.458 169 HG22 VAL 23 2HG2 VAL 23 0.843 -0.430 3.176 170 HG23 VAL 23 3HG2 VAL 23 -0.902 -0.640 3.035 171 H PHE 24 HN PHE 24 -0.266 -1.798 -1.882 172 HA PHE 24 HA PHE 24 0.272 -4.427 -0.736 173 HB2 PHE 24 2HB PHE 24 -1.060 -4.799 -3.259 174 HB3 PHE 24 3HB PHE 24 -1.465 -5.471 -1.683 175 HD1 PHE 24 1HD PHE 24 -3.218 -4.558 -0.361 176 HD2 PHE 24 2HD PHE 24 -2.042 -2.666 -3.988 177 HE1 PHE 24 1HE PHE 24 -5.241 -3.160 -0.283 178 HE2 PHE 24 2HE PHE 24 -4.064 -1.264 -3.916 179 HZ PHE 24 HZ PHE 24 -5.665 -1.510 -2.062 180 H HIS 25 HN HIS 25 2.315 -4.788 -1.280 181 HA HIS 25 HA HIS 25 3.859 -3.534 -3.138 182 HB2 HIS 25 2HB HIS 25 3.978 -6.293 -1.975 183 HB3 HIS 25 3HB HIS 25 5.131 -5.826 -3.222 184 HD2 HIS 25 2HD HIS 25 4.646 -2.746 -1.201 185 HE1 HIS 25 1HE HIS 25 7.755 -4.860 0.764 186 HE2 HIS 25 2HE HIS 25 6.489 -2.688 0.612 187 H ASP 26 HN ASP 26 4.883 -4.572 -5.135 188 HA ASP 26 HA ASP 26 2.734 -5.175 -6.985 189 HB2 ASP 26 2HB ASP 26 4.044 -4.201 -8.525 190 HB3 ASP 26 3HB ASP 26 5.098 -3.747 -7.190 191 H GLY 27 HN GLY 27 5.347 -6.811 -5.386 192 HA2 GLY 27 1HA GLY 27 5.122 -9.148 -7.123 193 HA3 GLY 27 2HA GLY 27 6.284 -8.926 -5.824 194 H CYS 28 HN CYS 28 4.533 -8.262 -3.743 195 HA CYS 28 HA CYS 28 3.858 -10.736 -2.718 196 HB2 CYS 28 2HB CYS 28 2.875 -7.964 -2.075 197 HB3 CYS 28 3HB CYS 28 2.293 -9.371 -1.190 198 H LEU 29 HN LEU 29 1.675 -8.353 -4.216 199 HA LEU 29 HA LEU 29 -0.733 -9.586 -4.011 200 HB2 LEU 29 2HB LEU 29 0.357 -8.249 -6.484 201 HB3 LEU 29 3HB LEU 29 -1.348 -8.557 -6.156 202 HG LEU 29 HG LEU 29 0.283 -6.867 -4.293 203 HD11 LEU 29 1HD1 LEU 29 -0.414 -4.890 -5.545 204 HD12 LEU 29 2HD1 LEU 29 -1.108 -5.922 -6.796 205 HD13 LEU 29 3HD1 LEU 29 0.633 -5.928 -6.515 206 HD21 LEU 29 1HD2 LEU 29 -2.374 -5.979 -4.691 207 HD22 LEU 29 2HD2 LEU 29 -1.668 -6.711 -3.249 208 HD23 LEU 29 3HD2 LEU 29 -2.425 -7.728 -4.476 209 H ARG 30 HN ARG 30 1.985 -10.671 -5.844 210 HA ARG 30 HA ARG 30 0.402 -12.606 -7.343 211 HB2 ARG 30 2HB ARG 30 2.028 -12.347 -8.847 212 HB3 ARG 30 3HB ARG 30 2.903 -11.300 -7.738 213 HG2 ARG 30 2HG ARG 30 3.952 -13.288 -6.730 214 HG3 ARG 30 3HG ARG 30 3.120 -14.298 -7.915 215 HD2 ARG 30 2HD ARG 30 4.408 -13.537 -9.665 216 HD3 ARG 30 3HD ARG 30 4.783 -12.013 -8.864 217 HE ARG 30 HE ARG 30 6.041 -13.797 -7.303 218 HH11 ARG 30 1HH1 ARG 30 6.000 -13.331 -10.753 219 HH12 ARG 30 2HH1 ARG 30 7.609 -13.929 -10.984 220 HH21 ARG 30 1HH2 ARG 30 8.161 -14.587 -7.595 221 HH22 ARG 30 2HH2 ARG 30 8.837 -14.644 -9.187 222 H ARG 31 HN ARG 31 2.896 -12.521 -4.834 223 HA ARG 31 HA ARG 31 3.317 -15.263 -4.559 224 HB2 ARG 31 2HB ARG 31 3.692 -12.882 -2.824 225 HB3 ARG 31 3HB ARG 31 3.704 -14.453 -2.033 226 HG2 ARG 31 2HG ARG 31 5.443 -15.144 -3.739 227 HG3 ARG 31 3HG ARG 31 5.550 -13.437 -4.171 228 HD2 ARG 31 2HD ARG 31 5.815 -14.311 -1.319 229 HD3 ARG 31 3HD ARG 31 7.191 -14.406 -2.417 230 HE ARG 31 HE ARG 31 6.269 -11.859 -2.714 231 HH11 ARG 31 1HH1 ARG 31 7.295 -13.797 -0.010 232 HH12 ARG 31 2HH1 ARG 31 7.879 -12.446 0.905 233 HH21 ARG 31 1HH2 ARG 31 7.036 -10.072 -1.521 234 HH22 ARG 31 2HH2 ARG 31 7.730 -10.328 0.045 235 H MET 32 HN MET 32 1.277 -13.226 -2.451 236 HA MET 32 HA MET 32 0.050 -15.292 -1.063 237 HB2 MET 32 2HB MET 32 -1.206 -12.639 -1.783 238 HB3 MET 32 3HB MET 32 -1.656 -13.680 -0.439 239 HG2 MET 32 2HG MET 32 1.154 -12.755 -0.566 240 HG3 MET 32 3HG MET 32 -0.082 -11.569 -0.149 241 HE1 MET 32 1HE MET 32 -1.948 -13.558 2.619 242 HE2 MET 32 2HE MET 32 -1.434 -11.873 2.676 243 HE3 MET 32 3HE MET 32 -2.102 -12.540 1.186 244 H GLY 33 HN GLY 33 -1.058 -13.622 -4.004 245 HA2 GLY 33 1HA GLY 33 -1.999 -15.167 -5.728 246 HA3 GLY 33 2HA GLY 33 -2.950 -15.855 -4.420 247 H TYR 34 HN TYR 34 -2.464 -12.453 -4.375 248 HA TYR 34 HA TYR 34 -5.243 -11.922 -4.500 249 HB2 TYR 34 2HB TYR 34 -2.761 -10.303 -4.294 250 HB3 TYR 34 3HB TYR 34 -4.202 -9.478 -4.877 251 HD1 TYR 34 1HD TYR 34 -2.406 -10.529 -2.009 252 HD2 TYR 34 2HD TYR 34 -6.341 -9.740 -3.422 253 HE1 TYR 34 1HE TYR 34 -3.178 -10.259 0.310 254 HE2 TYR 34 2HE TYR 34 -7.124 -9.466 -1.107 255 HH TYR 34 HH TYR 34 -5.380 -8.827 1.362 256 H ILE 35 HN ILE 35 -2.748 -12.097 -6.890 257 HA ILE 35 HA ILE 35 -4.718 -11.385 -8.950 258 HB ILE 35 HB ILE 35 -2.941 -10.289 -10.272 259 HG12 ILE 35 2HG1 ILE 35 -1.244 -10.060 -7.826 260 HG13 ILE 35 3HG1 ILE 35 -1.145 -11.539 -8.774 261 HG21 ILE 35 1HG2 ILE 35 -3.654 -8.362 -9.428 262 HG22 ILE 35 2HG2 ILE 35 -4.357 -9.273 -8.092 263 HG23 ILE 35 3HG2 ILE 35 -2.730 -8.607 -7.946 264 HD11 ILE 35 1HD1 ILE 35 0.206 -10.550 -10.210 265 HD12 ILE 35 2HD1 ILE 35 -1.003 -9.305 -10.533 266 HD13 ILE 35 3HD1 ILE 35 0.157 -9.090 -9.222 267 H GLN 36 HN GLN 36 -4.640 -12.582 -10.814 268 HA GLN 36 HA GLN 36 -3.448 -15.147 -10.667 269 HB2 GLN 36 2HB GLN 36 -4.567 -13.817 -13.135 270 HB3 GLN 36 3HB GLN 36 -4.401 -15.542 -12.836 271 HG2 GLN 36 2HG GLN 36 -6.031 -15.326 -10.982 272 HG3 GLN 36 3HG GLN 36 -6.261 -13.638 -11.436 273 HE21 GLN 36 1HE2 GLN 36 -8.156 -15.869 -11.396 274 HE22 GLN 36 2HE2 GLN 36 -8.793 -15.975 -12.998 275 H GLY 37 HN GLY 37 -2.710 -12.261 -12.603 276 HA2 GLY 37 1HA GLY 37 -0.342 -11.714 -12.914 277 HA3 GLY 37 2HA GLY 37 -0.049 -13.434 -13.123 278 H ASP 38 HN ASP 38 0.668 -13.631 -15.153 279 HA ASP 38 HA ASP 38 0.448 -13.873 -17.428 280 HB2 ASP 38 2HB ASP 38 -2.138 -13.699 -16.756 281 HB3 ASP 38 3HB ASP 38 -1.982 -12.171 -17.619 282 H SER 39 HN SER 39 1.625 -12.755 -18.846 283 HA SER 39 HA SER 39 2.570 -11.014 -19.984 284 HB2 SER 39 2HB SER 39 0.040 -9.978 -19.192 285 HB3 SER 39 3HB SER 39 1.244 -8.720 -18.911 286 HG SER 39 HG SER 39 1.961 -9.393 -21.161 287 H ALA 40 HN ALA 40 3.138 -8.408 -19.148 288 HA ALA 40 HA ALA 40 4.134 -8.298 -16.492 289 HB1 ALA 40 1HB ALA 40 5.840 -9.769 -16.987 290 HB2 ALA 40 2HB ALA 40 5.997 -9.196 -18.649 291 HB3 ALA 40 3HB ALA 40 6.601 -8.212 -17.316 292 H ALA 41 HN ALA 41 5.268 -6.314 -16.041 293 HA ALA 41 HA ALA 41 5.634 -4.357 -18.108 294 HB1 ALA 41 1HB ALA 41 3.381 -3.896 -18.074 295 HB2 ALA 41 2HB ALA 41 3.221 -4.269 -16.357 296 HB3 ALA 41 3HB ALA 41 3.984 -2.763 -16.864 297 H GLU 42 HN GLU 42 4.564 -3.264 -15.011 298 HA GLU 42 HA GLU 42 5.705 -1.904 -13.535 299 HB2 GLU 42 2HB GLU 42 7.767 -3.852 -12.956 300 HB3 GLU 42 3HB GLU 42 6.420 -3.321 -11.958 301 HG2 GLU 42 2HG GLU 42 4.960 -4.928 -12.966 302 HG3 GLU 42 3HG GLU 42 6.195 -5.379 -14.138 303 H VAL 43 HN VAL 43 6.592 -1.446 -16.194 304 HA VAL 43 HA VAL 43 9.306 -1.525 -16.664 305 HB VAL 43 HB VAL 43 7.387 0.694 -17.387 306 HG11 VAL 43 1HG1 VAL 43 10.246 0.281 -17.944 307 HG12 VAL 43 2HG1 VAL 43 9.254 0.697 -19.343 308 HG13 VAL 43 3HG1 VAL 43 9.292 1.764 -17.938 309 HG21 VAL 43 1HG2 VAL 43 6.583 -1.320 -18.319 310 HG22 VAL 43 2HG2 VAL 43 7.449 -0.505 -19.621 311 HG23 VAL 43 3HG2 VAL 43 8.204 -1.851 -18.767 312 H THR 44 HN THR 44 7.695 1.458 -15.573 313 HA THR 44 HA THR 44 9.849 1.894 -13.639 314 HB THR 44 HB THR 44 10.367 3.053 -15.863 315 HG1 THR 44 1HG THR 44 11.404 3.691 -13.960 316 HG21 THR 44 1HG2 THR 44 9.234 5.129 -16.325 317 HG22 THR 44 2HG2 THR 44 8.228 4.948 -14.887 318 HG23 THR 44 3HG2 THR 44 8.034 3.839 -16.245 319 H GLU 45 HN GLU 45 9.078 2.584 -11.751 320 HA GLU 45 HA GLU 45 6.636 4.188 -11.679 321 HB2 GLU 45 2HB GLU 45 6.506 1.489 -11.209 322 HB3 GLU 45 3HB GLU 45 6.716 2.132 -9.587 323 HG2 GLU 45 2HG GLU 45 4.795 3.669 -10.043 324 HG3 GLU 45 3HG GLU 45 4.531 2.783 -11.545 325 H MET 46 HN MET 46 6.390 5.444 -9.793 326 HA MET 46 HA MET 46 8.776 5.554 -8.068 327 HB2 MET 46 2HB MET 46 7.141 7.954 -8.887 328 HB3 MET 46 3HB MET 46 8.687 7.943 -8.048 329 HG2 MET 46 2HG MET 46 9.521 6.738 -10.206 330 HG3 MET 46 3HG MET 46 8.089 7.473 -10.926 331 HE1 MET 46 1HE MET 46 7.594 10.202 -10.343 332 HE2 MET 46 2HE MET 46 8.224 10.044 -8.704 333 HE3 MET 46 3HE MET 46 8.878 11.276 -9.785 334 H ALA 47 HN ALA 47 7.145 7.955 -6.892 335 HA ALA 47 HA ALA 47 4.888 6.785 -5.622 336 HB1 ALA 47 1HB ALA 47 6.354 7.204 -3.317 337 HB2 ALA 47 2HB ALA 47 5.913 5.642 -4.008 338 HB3 ALA 47 3HB ALA 47 7.478 6.363 -4.386 339 H HIS 48 HN HIS 48 5.799 9.249 -6.974 340 HA HIS 48 HA HIS 48 4.636 11.129 -5.091 341 HB2 HIS 48 2HB HIS 48 7.329 11.023 -5.091 342 HB3 HIS 48 3HB HIS 48 7.081 12.156 -6.416 343 HD1 HIS 48 1HD HIS 48 8.210 13.959 -4.839 344 HD2 HIS 48 2HD HIS 48 4.541 12.501 -3.544 345 HE1 HIS 48 1HE HIS 48 7.429 15.573 -3.075 346 H THR 49 HN THR 49 5.321 13.454 -6.576 347 HA THR 49 HA THR 49 4.803 14.636 -8.470 348 HB THR 49 HB THR 49 3.836 12.356 -10.072 349 HG1 THR 49 1HG THR 49 6.152 11.755 -10.387 350 HG21 THR 49 1HG2 THR 49 4.622 14.884 -10.615 351 HG22 THR 49 2HG2 THR 49 4.659 13.572 -11.793 352 HG23 THR 49 3HG2 THR 49 6.125 14.012 -10.919 353 H GLU 50 HN GLU 50 2.694 13.917 -10.346 354 HA GLU 50 HA GLU 50 0.375 14.153 -8.541 355 HB2 GLU 50 2HB GLU 50 1.137 16.123 -10.108 356 HB3 GLU 50 3HB GLU 50 0.322 15.184 -11.350 357 HG2 GLU 50 2HG GLU 50 -1.743 15.248 -10.055 358 HG3 GLU 50 3HG GLU 50 -0.928 16.180 -8.800 359 H THR 51 HN THR 51 1.582 12.801 -11.562 360 HA THR 51 HA THR 51 -0.457 10.711 -11.386 361 HB THR 51 HB THR 51 -0.951 10.835 -13.786 362 HG1 THR 51 1HG THR 51 0.535 11.875 -14.894 363 HG21 THR 51 1HG2 THR 51 -1.431 13.337 -12.176 364 HG22 THR 51 2HG2 THR 51 -2.518 11.967 -12.411 365 HG23 THR 51 3HG2 THR 51 -2.170 13.057 -13.753 366 H GLY 52 HN GLY 52 0.016 8.991 -13.158 367 HA2 GLY 52 1HA GLY 52 1.735 7.953 -14.522 368 HA3 GLY 52 2HA GLY 52 2.935 8.700 -13.478 369 H TRP 53 HN TRP 53 0.333 7.539 -11.696 370 HA TRP 53 HA TRP 53 1.708 4.983 -11.190 371 HB2 TRP 53 2HB TRP 53 0.781 5.371 -8.766 372 HB3 TRP 53 3HB TRP 53 2.285 6.138 -9.269 373 HD1 TRP 53 1HD TRP 53 -1.074 7.577 -10.389 374 HE1 TRP 53 1HE TRP 53 -1.400 9.874 -9.274 375 HE3 TRP 53 3HE TRP 53 2.930 7.512 -7.211 376 HZ2 TRP 53 2HZ TRP 53 -0.128 11.450 -7.309 377 HZ3 TRP 53 3HZ TRP 53 3.304 9.453 -5.747 378 HH2 TRP 53 2HH TRP 53 1.807 11.381 -5.797 379 H SER 54 HN SER 54 0.273 3.760 -12.382 380 HA SER 54 HA SER 54 -2.573 4.001 -11.999 381 HB2 SER 54 2HB SER 54 -1.902 1.550 -13.299 382 HB3 SER 54 3HB SER 54 -2.601 3.007 -14.004 383 HG SER 54 HG SER 54 0.135 2.333 -13.732 384 H CYS 55 HN CYS 55 -3.944 2.499 -11.030 385 HA CYS 55 HA CYS 55 -2.856 0.205 -9.651 386 HB2 CYS 55 2HB CYS 55 -4.354 2.003 -7.831 387 HB3 CYS 55 3HB CYS 55 -3.021 0.906 -7.487 388 H HIS 56 HN HIS 56 -4.486 -1.197 -8.806 389 HA HIS 56 HA HIS 56 -6.628 -1.727 -10.345 390 HB2 HIS 56 2HB HIS 56 -5.724 -2.979 -8.260 391 HB3 HIS 56 3HB HIS 56 -6.918 -2.038 -7.370 392 HD1 HIS 56 1HD HIS 56 -6.750 -5.257 -8.186 393 HD2 HIS 56 2HD HIS 56 -9.432 -2.349 -9.455 394 HE1 HIS 56 1HE HIS 56 -8.799 -6.512 -8.929 395 H TYR 57 HN TYR 57 -6.951 0.084 -7.285 396 HA TYR 57 HA TYR 57 -9.481 1.185 -8.268 397 HB2 TYR 57 2HB TYR 57 -8.364 1.562 -5.498 398 HB3 TYR 57 3HB TYR 57 -10.040 1.662 -6.026 399 HD1 TYR 57 1HD TYR 57 -7.237 -0.700 -5.458 400 HD2 TYR 57 2HD TYR 57 -11.433 -0.240 -5.994 401 HE1 TYR 57 1HE TYR 57 -7.571 -3.051 -4.818 402 HE2 TYR 57 2HE TYR 57 -11.779 -2.589 -5.355 403 HH TYR 57 HH TYR 57 -9.425 -4.847 -5.313 404 H CYS 58 HN CYS 58 -7.077 2.140 -9.428 405 HA CYS 58 HA CYS 58 -6.554 4.730 -8.215 406 HB2 CYS 58 2HB CYS 58 -4.874 3.092 -9.454 407 HB3 CYS 58 3HB CYS 58 -5.441 3.961 -10.875 408 H ASP 59 HN ASP 59 -7.695 3.505 -11.360 409 HA ASP 59 HA ASP 59 -9.294 5.953 -11.638 410 HB2 ASP 59 2HB ASP 59 -7.838 4.718 -13.972 411 HB3 ASP 59 3HB ASP 59 -8.647 6.280 -13.900 412 H ASN 60 HN ASN 60 -10.707 5.587 -13.797 413 HA ASN 60 HA ASN 60 -11.696 2.847 -13.916 414 HB2 ASN 60 2HB ASN 60 -13.675 5.067 -13.467 415 HB3 ASN 60 3HB ASN 60 -13.904 3.330 -13.281 416 HD21 ASN 60 1HD2 ASN 60 -12.089 6.058 -11.952 417 HD22 ASN 60 2HD2 ASN 60 -12.081 5.484 -10.323 Start of MODEL 18 1 H1 GLU 1 HN GLU 1 3.152 5.322 4.018 2 HA GLU 1 HA GLU 1 1.846 3.478 3.763 3 HB2 GLU 1 2HB GLU 1 3.141 3.617 1.051 4 HB3 GLU 1 3HB GLU 1 2.013 2.331 1.461 5 HG2 GLU 1 2HG GLU 1 0.610 3.837 0.479 6 HG3 GLU 1 3HG GLU 1 0.469 4.313 2.171 7 H MET 2 HN MET 2 1.962 1.400 4.430 8 HA MET 2 HA MET 2 4.543 0.012 4.147 9 HB2 MET 2 2HB MET 2 2.941 -0.444 6.612 10 HB3 MET 2 3HB MET 2 4.683 -0.497 6.378 11 HG2 MET 2 2HG MET 2 4.332 2.100 5.998 12 HG3 MET 2 3HG MET 2 2.916 1.795 7.001 13 HE1 MET 2 1HE MET 2 7.255 0.950 8.074 14 HE2 MET 2 2HE MET 2 6.529 1.135 6.477 15 HE3 MET 2 3HE MET 2 6.916 2.562 7.441 16 H CYS 3 HN CYS 3 4.130 -1.633 2.814 17 HA CYS 3 HA CYS 3 1.839 -2.800 2.051 18 HB2 CYS 3 2HB CYS 3 4.029 -3.447 1.162 19 HB3 CYS 3 3HB CYS 3 4.400 -4.289 2.663 20 H ASP 4 HN ASP 4 0.155 -3.560 3.131 21 HA ASP 4 HA ASP 4 0.129 -4.216 5.845 22 HB2 ASP 4 2HB ASP 4 -1.802 -3.747 4.059 23 HB3 ASP 4 3HB ASP 4 -1.874 -5.507 4.062 24 H VAL 5 HN VAL 5 1.349 -5.975 3.242 25 HA VAL 5 HA VAL 5 1.021 -8.556 4.595 26 HB VAL 5 HB VAL 5 2.142 -7.965 1.851 27 HG11 VAL 5 1HG1 VAL 5 1.797 -10.432 1.536 28 HG12 VAL 5 2HG1 VAL 5 3.088 -9.996 2.658 29 HG13 VAL 5 3HG1 VAL 5 1.530 -10.548 3.275 30 HG21 VAL 5 1HG2 VAL 5 -0.006 -9.032 1.093 31 HG22 VAL 5 2HG2 VAL 5 -0.581 -8.885 2.753 32 HG23 VAL 5 3HG2 VAL 5 -0.177 -7.439 1.830 33 H CYS 6 HN CYS 6 3.242 -6.037 4.270 34 HA CYS 6 HA CYS 6 5.365 -7.735 5.379 35 HB2 CYS 6 2HB CYS 6 5.780 -5.617 3.257 36 HB3 CYS 6 3HB CYS 6 7.051 -6.546 4.046 37 H GLU 7 HN GLU 7 4.671 -4.316 4.615 38 HA GLU 7 HA GLU 7 4.505 -2.510 6.032 39 HB2 GLU 7 2HB GLU 7 5.552 -4.110 8.340 40 HB3 GLU 7 3HB GLU 7 4.447 -2.743 8.350 41 HG2 GLU 7 2HG GLU 7 3.197 -4.799 6.883 42 HG3 GLU 7 3HG GLU 7 3.859 -5.528 8.345 43 H VAL 8 HN VAL 8 6.408 -2.182 4.512 44 HA VAL 8 HA VAL 8 8.554 -1.049 5.976 45 HB VAL 8 HB VAL 8 10.025 -2.791 4.309 46 HG11 VAL 8 1HG1 VAL 8 11.183 -3.328 6.304 47 HG12 VAL 8 2HG1 VAL 8 10.653 -1.654 6.473 48 HG13 VAL 8 3HG1 VAL 8 9.783 -2.944 7.305 49 HG21 VAL 8 1HG2 VAL 8 8.397 -4.423 6.225 50 HG22 VAL 8 2HG2 VAL 8 7.879 -4.190 4.556 51 HG23 VAL 8 3HG2 VAL 8 9.425 -4.967 4.899 52 H TRP 9 HN TRP 9 8.903 0.741 4.857 53 HA TRP 9 HA TRP 9 8.500 0.734 1.961 54 HB2 TRP 9 2HB TRP 9 7.431 2.631 2.558 55 HB3 TRP 9 3HB TRP 9 8.272 2.727 4.101 56 HD1 TRP 9 1HD TRP 9 10.354 4.318 4.259 57 HE1 TRP 9 1HE TRP 9 11.387 6.047 2.655 58 HE3 TRP 9 3HE TRP 9 7.840 3.067 -0.012 59 HZ2 TRP 9 2HZ TRP 9 11.164 6.783 -0.061 60 HZ3 TRP 9 3HZ TRP 9 8.307 4.333 -2.071 61 HH2 TRP 9 2HH TRP 9 9.935 6.152 -2.092 62 H THR 10 HN THR 10 10.033 2.029 0.631 63 HA THR 10 HA THR 10 12.729 2.314 1.631 64 HB THR 10 HB THR 10 12.978 0.772 -0.776 65 HG1 THR 10 1HG THR 10 11.059 -0.265 -0.178 66 HG21 THR 10 1HG2 THR 10 14.381 -0.648 0.697 67 HG22 THR 10 2HG2 THR 10 13.817 0.285 2.083 68 HG23 THR 10 3HG2 THR 10 14.768 1.067 0.822 69 H ALA 11 HN ALA 11 11.580 1.704 -1.666 70 HA ALA 11 HA ALA 11 11.160 4.299 -2.519 71 HB1 ALA 11 1HB ALA 11 13.969 3.698 -2.133 72 HB2 ALA 11 2HB ALA 11 13.614 4.177 -3.793 73 HB3 ALA 11 3HB ALA 11 13.177 5.241 -2.457 74 H GLU 12 HN GLU 12 12.369 1.106 -3.236 75 HA GLU 12 HA GLU 12 12.509 0.848 -5.885 76 HB2 GLU 12 2HB GLU 12 10.616 -1.029 -4.533 77 HB3 GLU 12 3HB GLU 12 11.900 -1.377 -5.682 78 HG2 GLU 12 2HG GLU 12 13.482 -0.620 -3.787 79 HG3 GLU 12 3HG GLU 12 12.085 -0.876 -2.743 80 H SER 13 HN SER 13 9.335 0.572 -4.274 81 HA SER 13 HA SER 13 7.851 2.366 -5.633 82 HB2 SER 13 2HB SER 13 8.578 0.103 -7.396 83 HB3 SER 13 3HB SER 13 6.879 0.574 -7.422 84 HG SER 13 HG SER 13 7.430 2.240 -8.559 85 H LEU 14 HN LEU 14 6.800 2.130 -3.636 86 HA LEU 14 HA LEU 14 5.611 -0.294 -2.769 87 HB2 LEU 14 2HB LEU 14 5.886 2.376 -1.817 88 HB3 LEU 14 3HB LEU 14 4.188 1.916 -1.707 89 HG LEU 14 HG LEU 14 6.475 0.368 -0.491 90 HD11 LEU 14 1HD1 LEU 14 5.920 2.704 0.442 91 HD12 LEU 14 2HD1 LEU 14 6.004 1.346 1.562 92 HD13 LEU 14 3HD1 LEU 14 4.437 1.951 1.028 93 HD21 LEU 14 1HD2 LEU 14 5.010 -1.244 -0.061 94 HD22 LEU 14 2HD2 LEU 14 3.863 -0.414 -1.114 95 HD23 LEU 14 3HD2 LEU 14 3.862 -0.092 0.621 96 H PHE 15 HN PHE 15 3.500 -1.012 -2.882 97 HA PHE 15 HA PHE 15 1.833 0.311 -4.919 98 HB2 PHE 15 2HB PHE 15 2.328 -2.568 -4.277 99 HB3 PHE 15 3HB PHE 15 0.771 -2.103 -4.955 100 HD1 PHE 15 1HD PHE 15 4.410 -1.546 -5.564 101 HD2 PHE 15 2HD PHE 15 0.542 -2.150 -7.236 102 HE1 PHE 15 1HE PHE 15 5.393 -1.573 -7.819 103 HE2 PHE 15 2HE PHE 15 1.519 -2.180 -9.494 104 HZ PHE 15 HZ PHE 15 3.947 -1.891 -9.788 105 HA PRO 16 HA PRO 16 -0.299 -0.394 -5.710 106 HB2 PRO 16 2HB PRO 16 -2.298 1.431 -5.914 107 HB3 PRO 16 3HB PRO 16 -2.581 -0.260 -5.483 108 HG2 PRO 16 2HG PRO 16 -2.395 2.142 -3.707 109 HG3 PRO 16 3HG PRO 16 -3.544 0.794 -3.647 110 HD2 PRO 16 2HD PRO 16 -1.402 0.955 -2.000 111 HD3 PRO 16 3HD PRO 16 -2.054 -0.596 -2.570 112 H CYS 17 HN CYS 17 -0.603 2.714 -3.977 113 HA CYS 17 HA CYS 17 1.632 3.800 -5.464 114 HB2 CYS 17 2HB CYS 17 -0.845 5.459 -5.588 115 HB3 CYS 17 3HB CYS 17 0.536 5.419 -6.682 116 H ARG 18 HN ARG 18 0.726 6.553 -4.864 117 HA ARG 18 HA ARG 18 1.805 6.728 -2.224 118 HB2 ARG 18 2HB ARG 18 2.423 8.558 -3.475 119 HB3 ARG 18 3HB ARG 18 0.865 8.664 -4.285 120 HG2 ARG 18 2HG ARG 18 1.363 10.540 -2.725 121 HG3 ARG 18 3HG ARG 18 -0.143 9.684 -2.387 122 HD2 ARG 18 2HD ARG 18 0.586 9.495 -0.289 123 HD3 ARG 18 3HD ARG 18 1.738 8.309 -0.904 124 HE ARG 18 HE ARG 18 2.919 10.765 -1.284 125 HH11 ARG 18 1HH1 ARG 18 1.709 8.933 1.418 126 HH12 ARG 18 2HH1 ARG 18 2.831 9.614 2.549 127 HH21 ARG 18 1HH2 ARG 18 4.401 11.668 0.197 128 HH22 ARG 18 2HH2 ARG 18 4.361 11.170 1.855 129 H VAL 19 HN VAL 19 -1.375 7.513 -3.627 130 HA VAL 19 HA VAL 19 -2.559 7.071 -0.973 131 HB VAL 19 HB VAL 19 -4.164 8.917 -1.416 132 HG11 VAL 19 1HG1 VAL 19 -1.314 9.205 -0.839 133 HG12 VAL 19 2HG1 VAL 19 -2.089 10.700 -1.367 134 HG13 VAL 19 3HG1 VAL 19 -2.716 9.826 0.031 135 HG21 VAL 19 1HG2 VAL 19 -2.585 10.403 -3.280 136 HG22 VAL 19 2HG2 VAL 19 -3.002 8.840 -3.984 137 HG23 VAL 19 3HG2 VAL 19 -4.274 9.912 -3.399 138 H CYS 20 HN CYS 20 -3.849 5.368 -1.157 139 HA CYS 20 HA CYS 20 -5.928 5.327 -3.154 140 HB2 CYS 20 2HB CYS 20 -4.185 2.884 -3.073 141 HB3 CYS 20 3HB CYS 20 -5.333 3.387 -4.311 142 H THR 21 HN THR 21 -6.275 2.411 -2.798 143 HA THR 21 HA THR 21 -7.602 2.538 -0.201 144 HB THR 21 HB THR 21 -8.352 0.132 -1.160 145 HG1 THR 21 1HG THR 21 -7.850 -0.033 -3.201 146 HG21 THR 21 1HG2 THR 21 -10.380 1.101 -1.318 147 HG22 THR 21 2HG2 THR 21 -9.813 2.331 -2.448 148 HG23 THR 21 3HG2 THR 21 -9.551 2.536 -0.716 149 H ARG 22 HN ARG 22 -5.645 2.344 1.049 150 HA ARG 22 HA ARG 22 -4.454 1.033 2.518 151 HB2 ARG 22 2HB ARG 22 -6.218 -0.809 1.517 152 HB3 ARG 22 3HB ARG 22 -4.671 -1.496 1.038 153 HG2 ARG 22 2HG ARG 22 -4.013 -1.060 3.515 154 HG3 ARG 22 3HG ARG 22 -5.758 -1.002 3.771 155 HD2 ARG 22 2HD ARG 22 -4.008 -3.280 3.188 156 HD3 ARG 22 3HD ARG 22 -5.560 -3.226 4.024 157 HE ARG 22 HE ARG 22 -5.120 -3.904 1.302 158 HH11 ARG 22 1HH1 ARG 22 -7.367 -2.311 3.430 159 HH12 ARG 22 2HH1 ARG 22 -8.742 -2.616 2.421 160 HH21 ARG 22 1HH2 ARG 22 -6.921 -4.311 -0.036 161 HH22 ARG 22 2HH2 ARG 22 -8.487 -3.754 0.449 162 H VAL 23 HN VAL 23 -2.793 -1.187 1.818 163 HA VAL 23 HA VAL 23 -1.154 -0.240 -0.402 164 HB VAL 23 HB VAL 23 0.907 -0.284 0.957 165 HG11 VAL 23 1HG1 VAL 23 -1.283 1.663 1.534 166 HG12 VAL 23 2HG1 VAL 23 0.266 1.815 2.366 167 HG13 VAL 23 3HG1 VAL 23 0.198 1.883 0.604 168 HG21 VAL 23 1HG2 VAL 23 0.605 -0.097 3.459 169 HG22 VAL 23 2HG2 VAL 23 -1.041 -0.684 3.217 170 HG23 VAL 23 3HG2 VAL 23 0.330 -1.697 2.769 171 H PHE 24 HN PHE 24 -0.420 -1.901 -1.553 172 HA PHE 24 HA PHE 24 0.259 -4.414 -0.263 173 HB2 PHE 24 2HB PHE 24 -1.218 -5.250 -2.489 174 HB3 PHE 24 3HB PHE 24 -1.658 -5.437 -0.795 175 HD1 PHE 24 1HD PHE 24 -1.969 -3.169 -3.706 176 HD2 PHE 24 2HD PHE 24 -3.499 -4.308 0.100 177 HE1 PHE 24 1HE PHE 24 -3.922 -1.716 -4.060 178 HE2 PHE 24 2HE PHE 24 -5.454 -2.857 -0.249 179 HZ PHE 24 HZ PHE 24 -5.669 -1.559 -2.329 180 H HIS 25 HN HIS 25 2.241 -4.788 -0.992 181 HA HIS 25 HA HIS 25 3.539 -3.651 -3.104 182 HB2 HIS 25 2HB HIS 25 3.888 -6.295 -1.733 183 HB3 HIS 25 3HB HIS 25 4.899 -5.885 -3.116 184 HD2 HIS 25 2HD HIS 25 4.869 -2.595 -1.787 185 HE1 HIS 25 1HE HIS 25 7.523 -4.556 0.879 186 HE2 HIS 25 2HE HIS 25 6.634 -2.336 0.085 187 H ASP 26 HN ASP 26 4.401 -4.858 -5.091 188 HA ASP 26 HA ASP 26 2.086 -5.766 -6.609 189 HB2 ASP 26 2HB ASP 26 3.544 -3.996 -7.541 190 HB3 ASP 26 3HB ASP 26 4.890 -5.132 -7.551 191 H GLY 27 HN GLY 27 5.007 -6.999 -5.218 192 HA2 GLY 27 1HA GLY 27 4.875 -9.469 -6.771 193 HA3 GLY 27 2HA GLY 27 6.121 -9.035 -5.610 194 H CYS 28 HN CYS 28 4.098 -8.283 -3.581 195 HA CYS 28 HA CYS 28 3.937 -10.748 -2.237 196 HB2 CYS 28 2HB CYS 28 2.854 -8.008 -1.791 197 HB3 CYS 28 3HB CYS 28 2.135 -9.329 -0.876 198 H LEU 29 HN LEU 29 1.356 -8.795 -3.734 199 HA LEU 29 HA LEU 29 -0.705 -10.657 -3.316 200 HB2 LEU 29 2HB LEU 29 -0.512 -8.658 -5.560 201 HB3 LEU 29 3HB LEU 29 -1.979 -9.381 -4.906 202 HG LEU 29 HG LEU 29 -0.176 -7.565 -3.316 203 HD11 LEU 29 1HD1 LEU 29 -2.495 -6.180 -3.859 204 HD12 LEU 29 2HD1 LEU 29 -2.098 -6.936 -5.401 205 HD13 LEU 29 3HD1 LEU 29 -0.918 -5.901 -4.597 206 HD21 LEU 29 1HD2 LEU 29 -2.536 -7.322 -2.165 207 HD22 LEU 29 2HD2 LEU 29 -1.444 -8.644 -1.751 208 HD23 LEU 29 3HD2 LEU 29 -2.784 -8.921 -2.864 209 H ARG 30 HN ARG 30 1.668 -10.314 -5.872 210 HA ARG 30 HA ARG 30 0.451 -12.128 -7.692 211 HB2 ARG 30 2HB ARG 30 2.029 -11.290 -9.025 212 HB3 ARG 30 3HB ARG 30 2.737 -10.450 -7.651 213 HG2 ARG 30 2HG ARG 30 4.210 -12.258 -7.199 214 HG3 ARG 30 3HG ARG 30 3.377 -13.302 -8.351 215 HD2 ARG 30 2HD ARG 30 4.044 -11.186 -9.923 216 HD3 ARG 30 3HD ARG 30 5.401 -11.224 -8.798 217 HE ARG 30 HE ARG 30 4.896 -13.052 -10.911 218 HH11 ARG 30 1HH1 ARG 30 6.160 -12.843 -7.674 219 HH12 ARG 30 2HH1 ARG 30 7.210 -14.209 -7.855 220 HH21 ARG 30 1HH2 ARG 30 6.272 -14.853 -11.163 221 HH22 ARG 30 2HH2 ARG 30 7.273 -15.352 -9.841 222 H ARG 31 HN ARG 31 3.280 -12.489 -5.546 223 HA ARG 31 HA ARG 31 3.641 -15.235 -5.995 224 HB2 ARG 31 2HB ARG 31 4.923 -13.249 -4.525 225 HB3 ARG 31 3HB ARG 31 4.394 -14.407 -3.311 226 HG2 ARG 31 2HG ARG 31 5.855 -15.977 -3.979 227 HG3 ARG 31 3HG ARG 31 5.671 -15.573 -5.687 228 HD2 ARG 31 2HD ARG 31 7.208 -13.813 -5.553 229 HD3 ARG 31 3HD ARG 31 7.111 -13.747 -3.793 230 HE ARG 31 HE ARG 31 8.168 -16.210 -4.883 231 HH11 ARG 31 1HH1 ARG 31 8.867 -13.035 -3.638 232 HH12 ARG 31 2HH1 ARG 31 10.504 -13.416 -3.219 233 HH21 ARG 31 1HH2 ARG 31 10.322 -16.725 -4.336 234 HH22 ARG 31 2HH2 ARG 31 11.331 -15.516 -3.617 235 H MET 32 HN MET 32 2.060 -13.571 -3.264 236 HA MET 32 HA MET 32 1.239 -15.754 -1.810 237 HB2 MET 32 2HB MET 32 -0.133 -13.106 -2.265 238 HB3 MET 32 3HB MET 32 -0.712 -14.292 -1.103 239 HG2 MET 32 2HG MET 32 2.049 -13.102 -1.058 240 HG3 MET 32 3HG MET 32 0.684 -12.475 -0.136 241 HE1 MET 32 1HE MET 32 0.519 -14.516 2.928 242 HE2 MET 32 2HE MET 32 0.414 -12.937 2.150 243 HE3 MET 32 3HE MET 32 -0.695 -14.226 1.681 244 H GLY 33 HN GLY 33 0.133 -14.725 -4.901 245 HA2 GLY 33 1HA GLY 33 -1.089 -16.142 -6.352 246 HA3 GLY 33 2HA GLY 33 -1.738 -16.978 -4.949 247 H TYR 34 HN TYR 34 -1.809 -13.613 -4.614 248 HA TYR 34 HA TYR 34 -4.659 -13.562 -4.609 249 HB2 TYR 34 2HB TYR 34 -2.473 -11.640 -4.058 250 HB3 TYR 34 3HB TYR 34 -4.012 -10.942 -4.550 251 HD1 TYR 34 1HD TYR 34 -2.179 -11.532 -1.779 252 HD2 TYR 34 2HD TYR 34 -6.051 -12.425 -3.300 253 HE1 TYR 34 1HE TYR 34 -3.018 -11.778 0.519 254 HE2 TYR 34 2HE TYR 34 -6.901 -12.673 -1.005 255 HH TYR 34 HH TYR 34 -4.983 -13.063 1.634 256 H ILE 35 HN ILE 35 -2.250 -12.996 -6.995 257 HA ILE 35 HA ILE 35 -4.277 -12.554 -9.001 258 HB ILE 35 HB ILE 35 -3.189 -10.507 -9.910 259 HG12 ILE 35 2HG1 ILE 35 -2.005 -9.374 -7.669 260 HG13 ILE 35 3HG1 ILE 35 -1.399 -11.027 -7.668 261 HG21 ILE 35 1HG2 ILE 35 -4.434 -9.037 -8.602 262 HG22 ILE 35 2HG2 ILE 35 -5.230 -10.590 -8.351 263 HG23 ILE 35 3HG2 ILE 35 -4.137 -9.952 -7.123 264 HD11 ILE 35 1HD1 ILE 35 -0.464 -8.865 -9.164 265 HD12 ILE 35 2HD1 ILE 35 0.025 -10.555 -9.288 266 HD13 ILE 35 3HD1 ILE 35 -1.268 -9.934 -10.313 267 H GLN 36 HN GLN 36 -3.105 -12.154 -11.212 268 HA GLN 36 HA GLN 36 -0.496 -13.410 -11.379 269 HB2 GLN 36 2HB GLN 36 -2.132 -14.740 -13.309 270 HB3 GLN 36 3HB GLN 36 -1.168 -15.438 -12.014 271 HG2 GLN 36 2HG GLN 36 -3.043 -15.120 -10.465 272 HG3 GLN 36 3HG GLN 36 -4.008 -14.470 -11.790 273 HE21 GLN 36 1HE2 GLN 36 -4.941 -16.589 -10.395 274 HE22 GLN 36 2HE2 GLN 36 -4.884 -18.019 -11.363 275 H GLY 37 HN GLY 37 0.614 -12.161 -12.721 276 HA2 GLY 37 1HA GLY 37 -0.199 -11.632 -15.376 277 HA3 GLY 37 2HA GLY 37 -0.472 -10.206 -14.386 278 H ASP 38 HN ASP 38 1.373 -10.578 -16.618 279 HA ASP 38 HA ASP 38 3.951 -10.254 -15.236 280 HB2 ASP 38 2HB ASP 38 4.390 -11.900 -16.779 281 HB3 ASP 38 3HB ASP 38 3.186 -11.304 -17.918 282 H SER 39 HN SER 39 3.063 -9.145 -18.462 283 HA SER 39 HA SER 39 2.895 -7.058 -19.377 284 HB2 SER 39 2HB SER 39 3.134 -5.780 -16.668 285 HB3 SER 39 3HB SER 39 2.241 -5.223 -18.083 286 HG SER 39 HG SER 39 1.063 -7.386 -17.630 287 H ALA 40 HN ALA 40 4.165 -4.681 -18.726 288 HA ALA 40 HA ALA 40 6.804 -4.866 -17.853 289 HB1 ALA 40 1HB ALA 40 7.709 -6.107 -19.489 290 HB2 ALA 40 2HB ALA 40 6.368 -5.809 -20.596 291 HB3 ALA 40 3HB ALA 40 7.651 -4.611 -20.421 292 H ALA 41 HN ALA 41 8.017 -2.927 -18.210 293 HA ALA 41 HA ALA 41 7.549 -0.810 -19.819 294 HB1 ALA 41 1HB ALA 41 5.347 -1.113 -17.934 295 HB2 ALA 41 2HB ALA 41 6.076 0.493 -17.903 296 HB3 ALA 41 3HB ALA 41 5.449 -0.162 -19.416 297 H GLU 42 HN GLU 42 9.257 0.443 -19.477 298 HA GLU 42 HA GLU 42 10.022 1.165 -16.759 299 HB2 GLU 42 2HB GLU 42 12.489 0.668 -17.636 300 HB3 GLU 42 3HB GLU 42 11.529 -0.546 -16.801 301 HG2 GLU 42 2HG GLU 42 10.908 -1.568 -18.878 302 HG3 GLU 42 3HG GLU 42 11.690 -0.279 -19.792 303 H VAL 43 HN VAL 43 9.039 3.126 -17.808 304 HA VAL 43 HA VAL 43 10.908 4.517 -19.593 305 HB VAL 43 HB VAL 43 8.249 5.649 -18.816 306 HG11 VAL 43 1HG1 VAL 43 9.649 7.073 -20.120 307 HG12 VAL 43 2HG1 VAL 43 9.998 5.777 -21.267 308 HG13 VAL 43 3HG1 VAL 43 8.377 6.467 -21.181 309 HG21 VAL 43 1HG2 VAL 43 7.619 4.371 -21.103 310 HG22 VAL 43 2HG2 VAL 43 8.716 3.194 -20.381 311 HG23 VAL 43 3HG2 VAL 43 7.285 3.724 -19.497 312 H THR 44 HN THR 44 9.752 4.459 -16.357 313 HA THR 44 HA THR 44 11.654 6.413 -15.523 314 HB THR 44 HB THR 44 9.828 7.889 -16.386 315 HG1 THR 44 1HG THR 44 11.274 8.333 -14.475 316 HG21 THR 44 1HG2 THR 44 7.729 8.030 -15.256 317 HG22 THR 44 2HG2 THR 44 8.240 6.863 -14.036 318 HG23 THR 44 3HG2 THR 44 7.971 6.340 -15.699 319 H GLU 45 HN GLU 45 11.479 6.835 -13.134 320 HA GLU 45 HA GLU 45 10.027 4.743 -11.690 321 HB2 GLU 45 2HB GLU 45 12.107 4.322 -10.320 322 HB3 GLU 45 3HB GLU 45 12.145 3.709 -11.967 323 HG2 GLU 45 2HG GLU 45 13.409 5.753 -12.623 324 HG3 GLU 45 3HG GLU 45 13.491 6.185 -10.916 325 H MET 46 HN MET 46 9.072 5.504 -9.915 326 HA MET 46 HA MET 46 10.245 7.586 -8.317 327 HB2 MET 46 2HB MET 46 8.003 8.151 -10.190 328 HB3 MET 46 3HB MET 46 7.924 8.875 -8.589 329 HG2 MET 46 2HG MET 46 10.439 9.516 -9.229 330 HG3 MET 46 3HG MET 46 9.737 9.443 -10.844 331 HE1 MET 46 1HE MET 46 11.165 11.596 -9.652 332 HE2 MET 46 2HE MET 46 10.259 12.982 -10.260 333 HE3 MET 46 3HE MET 46 10.372 12.695 -8.523 334 H ALA 47 HN ALA 47 6.790 7.268 -8.554 335 HA ALA 47 HA ALA 47 6.119 5.134 -7.042 336 HB1 ALA 47 1HB ALA 47 7.396 7.213 -5.364 337 HB2 ALA 47 2HB ALA 47 5.954 6.429 -4.717 338 HB3 ALA 47 3HB ALA 47 7.358 5.461 -5.169 339 H HIS 48 HN HIS 48 5.670 8.545 -7.577 340 HA HIS 48 HA HIS 48 3.006 8.385 -8.285 341 HB2 HIS 48 2HB HIS 48 2.015 8.005 -6.288 342 HB3 HIS 48 3HB HIS 48 3.432 8.524 -5.379 343 HD1 HIS 48 1HD HIS 48 0.204 9.758 -6.770 344 HD2 HIS 48 2HD HIS 48 3.472 11.253 -4.686 345 HE1 HIS 48 1HE HIS 48 -0.504 12.026 -5.948 346 H THR 49 HN THR 49 2.187 10.355 -8.976 347 HA THR 49 HA THR 49 3.143 12.881 -8.207 348 HB THR 49 HB THR 49 4.137 12.691 -10.919 349 HG1 THR 49 1HG THR 49 5.304 10.943 -10.750 350 HG21 THR 49 1HG2 THR 49 4.564 14.232 -8.691 351 HG22 THR 49 2HG2 THR 49 5.558 14.250 -10.149 352 HG23 THR 49 3HG2 THR 49 6.035 13.262 -8.767 353 H GLU 50 HN GLU 50 2.533 11.548 -11.456 354 HA GLU 50 HA GLU 50 -0.176 12.246 -11.597 355 HB2 GLU 50 2HB GLU 50 1.299 14.523 -11.582 356 HB3 GLU 50 3HB GLU 50 1.243 14.190 -13.308 357 HG2 GLU 50 2HG GLU 50 -1.236 14.040 -13.129 358 HG3 GLU 50 3HG GLU 50 -1.094 14.572 -11.454 359 H THR 51 HN THR 51 -1.014 11.112 -13.222 360 HA THR 51 HA THR 51 -1.117 9.687 -15.003 361 HB THR 51 HB THR 51 0.493 10.828 -16.952 362 HG1 THR 51 1HG THR 51 -0.377 12.776 -15.078 363 HG21 THR 51 1HG2 THR 51 -1.560 10.575 -17.812 364 HG22 THR 51 2HG2 THR 51 -1.908 12.175 -17.159 365 HG23 THR 51 3HG2 THR 51 -2.328 10.734 -16.233 366 H GLY 52 HN GLY 52 -0.023 7.897 -14.173 367 HA2 GLY 52 1HA GLY 52 2.232 7.029 -15.612 368 HA3 GLY 52 2HA GLY 52 2.762 7.599 -14.037 369 H TRP 53 HN TRP 53 2.688 6.221 -12.379 370 HA TRP 53 HA TRP 53 1.632 3.561 -12.854 371 HB2 TRP 53 2HB TRP 53 3.764 4.641 -11.338 372 HB3 TRP 53 3HB TRP 53 2.651 3.899 -10.192 373 HD1 TRP 53 1HD TRP 53 2.865 1.356 -9.888 374 HE1 TRP 53 1HE TRP 53 4.093 -0.538 -11.125 375 HE3 TRP 53 3HE TRP 53 4.548 3.987 -13.936 376 HZ2 TRP 53 2HZ TRP 53 5.580 -0.872 -13.501 377 HZ3 TRP 53 3HZ TRP 53 5.867 2.806 -15.645 378 HH2 TRP 53 2HH TRP 53 6.371 0.427 -15.430 379 H SER 54 HN SER 54 -0.574 3.653 -12.725 380 HA SER 54 HA SER 54 -1.681 4.424 -10.105 381 HB2 SER 54 2HB SER 54 -3.743 4.615 -12.030 382 HB3 SER 54 3HB SER 54 -2.983 5.929 -11.134 383 HG SER 54 HG SER 54 -2.852 6.176 -13.432 384 H CYS 55 HN CYS 55 -2.471 2.734 -9.061 385 HA CYS 55 HA CYS 55 -2.756 0.175 -10.139 386 HB2 CYS 55 2HB CYS 55 -3.881 -0.406 -8.048 387 HB3 CYS 55 3HB CYS 55 -2.483 0.617 -7.731 388 H HIS 56 HN HIS 56 -4.651 -1.103 -10.503 389 HA HIS 56 HA HIS 56 -6.456 -0.160 -12.292 390 HB2 HIS 56 2HB HIS 56 -6.759 -2.353 -10.248 391 HB3 HIS 56 3HB HIS 56 -7.995 -2.029 -11.459 392 HD1 HIS 56 1HD HIS 56 -4.800 -3.746 -10.953 393 HD2 HIS 56 2HD HIS 56 -7.087 -2.461 -14.175 394 HE1 HIS 56 1HE HIS 56 -3.887 -4.965 -12.955 395 H TYR 57 HN TYR 57 -6.780 -0.090 -8.775 396 HA TYR 57 HA TYR 57 -9.419 0.780 -8.593 397 HB2 TYR 57 2HB TYR 57 -7.099 1.465 -6.777 398 HB3 TYR 57 3HB TYR 57 -8.801 1.644 -6.370 399 HD1 TYR 57 1HD TYR 57 -10.214 -0.604 -6.712 400 HD2 TYR 57 2HD TYR 57 -6.020 -0.424 -6.016 401 HE1 TYR 57 1HE TYR 57 -10.261 -2.914 -5.871 402 HE2 TYR 57 2HE TYR 57 -6.054 -2.734 -5.176 403 HH TYR 57 HH TYR 57 -9.032 -4.431 -4.588 404 H CYS 58 HN CYS 58 -6.467 2.781 -8.477 405 HA CYS 58 HA CYS 58 -7.982 5.207 -8.800 406 HB2 CYS 58 2HB CYS 58 -5.765 6.307 -8.817 407 HB3 CYS 58 3HB CYS 58 -5.970 5.235 -7.435 408 H ASP 59 HN ASP 59 -7.278 2.861 -10.915 409 HA ASP 59 HA ASP 59 -6.328 4.423 -13.138 410 HB2 ASP 59 2HB ASP 59 -6.098 1.835 -12.643 411 HB3 ASP 59 3HB ASP 59 -7.631 1.760 -13.507 412 H ASN 60 HN ASN 60 -7.821 3.644 -15.266 413 HA ASN 60 HA ASN 60 -10.582 4.445 -14.708 414 HB2 ASN 60 2HB ASN 60 -8.854 5.769 -16.811 415 HB3 ASN 60 3HB ASN 60 -10.558 6.098 -16.514 416 HD21 ASN 60 1HD2 ASN 60 -10.528 8.142 -15.832 417 HD22 ASN 60 2HD2 ASN 60 -9.637 8.719 -14.469 Start of MODEL 19 1 H1 GLU 1 HN GLU 1 1.724 4.499 6.084 2 HA GLU 1 HA GLU 1 0.217 3.208 3.906 3 HB2 GLU 1 2HB GLU 1 2.422 5.263 3.816 4 HB3 GLU 1 3HB GLU 1 1.950 4.322 2.408 5 HG2 GLU 1 2HG GLU 1 0.839 6.404 2.265 6 HG3 GLU 1 3HG GLU 1 -0.371 5.199 2.704 7 H MET 2 HN MET 2 0.938 1.239 5.172 8 HA MET 2 HA MET 2 3.609 0.418 4.236 9 HB2 MET 2 2HB MET 2 2.456 -0.931 6.614 10 HB3 MET 2 3HB MET 2 4.131 -0.549 6.239 11 HG2 MET 2 2HG MET 2 2.080 1.476 7.097 12 HG3 MET 2 3HG MET 2 3.215 0.680 8.184 13 HE1 MET 2 1HE MET 2 6.393 2.531 7.894 14 HE2 MET 2 2HE MET 2 5.065 2.356 9.042 15 HE3 MET 2 3HE MET 2 5.687 0.942 8.190 16 H CYS 3 HN CYS 3 3.686 -1.370 3.023 17 HA CYS 3 HA CYS 3 1.575 -2.528 1.786 18 HB2 CYS 3 2HB CYS 3 3.910 -2.962 1.166 19 HB3 CYS 3 3HB CYS 3 4.116 -3.947 2.610 20 H ASP 4 HN ASP 4 -0.205 -3.399 2.603 21 HA ASP 4 HA ASP 4 -0.506 -4.394 5.194 22 HB2 ASP 4 2HB ASP 4 -2.270 -3.695 3.370 23 HB3 ASP 4 3HB ASP 4 -2.241 -5.413 2.978 24 H VAL 5 HN VAL 5 1.066 -5.783 2.567 25 HA VAL 5 HA VAL 5 0.655 -8.523 3.533 26 HB VAL 5 HB VAL 5 2.055 -7.561 1.033 27 HG11 VAL 5 1HG1 VAL 5 1.790 -10.001 0.391 28 HG12 VAL 5 2HG1 VAL 5 3.008 -9.640 1.616 29 HG13 VAL 5 3HG1 VAL 5 1.446 -10.309 2.093 30 HG21 VAL 5 1HG2 VAL 5 -0.031 -8.805 0.043 31 HG22 VAL 5 2HG2 VAL 5 -0.743 -8.419 1.609 32 HG23 VAL 5 3HG2 VAL 5 -0.153 -7.124 0.566 33 H CYS 6 HN CYS 6 2.824 -5.949 3.784 34 HA CYS 6 HA CYS 6 4.855 -7.740 4.919 35 HB2 CYS 6 2HB CYS 6 5.430 -5.385 3.107 36 HB3 CYS 6 3HB CYS 6 6.643 -6.338 3.955 37 H GLU 7 HN GLU 7 4.122 -4.271 4.504 38 HA GLU 7 HA GLU 7 3.742 -2.660 6.105 39 HB2 GLU 7 2HB GLU 7 4.608 -4.496 8.307 40 HB3 GLU 7 3HB GLU 7 3.439 -3.184 8.350 41 HG2 GLU 7 2HG GLU 7 2.455 -5.085 6.524 42 HG3 GLU 7 3HG GLU 7 3.006 -5.973 7.945 43 H VAL 8 HN VAL 8 5.814 -2.175 4.815 44 HA VAL 8 HA VAL 8 7.775 -1.237 6.684 45 HB VAL 8 HB VAL 8 9.372 -2.590 4.759 46 HG11 VAL 8 1HG1 VAL 8 10.537 -3.366 6.641 47 HG12 VAL 8 2HG1 VAL 8 9.854 -1.819 7.145 48 HG13 VAL 8 3HG1 VAL 8 9.096 -3.327 7.657 49 HG21 VAL 8 1HG2 VAL 8 7.347 -4.087 4.615 50 HG22 VAL 8 2HG2 VAL 8 8.853 -4.883 5.073 51 HG23 VAL 8 3HG2 VAL 8 7.643 -4.512 6.301 52 H TRP 9 HN TRP 9 7.778 0.800 5.960 53 HA TRP 9 HA TRP 9 8.048 1.260 3.066 54 HB2 TRP 9 2HB TRP 9 6.191 2.491 3.625 55 HB3 TRP 9 3HB TRP 9 6.743 2.778 5.272 56 HD1 TRP 9 1HD TRP 9 8.109 4.972 5.736 57 HE1 TRP 9 1HE TRP 9 8.673 7.041 4.311 58 HE3 TRP 9 3HE TRP 9 6.745 3.190 1.142 59 HZ2 TRP 9 2HZ TRP 9 8.556 7.814 1.599 60 HZ3 TRP 9 3HZ TRP 9 7.003 4.659 -0.816 61 HH2 TRP 9 2HH TRP 9 7.890 6.923 -0.590 62 H THR 10 HN THR 10 9.387 3.140 2.430 63 HA THR 10 HA THR 10 11.462 3.944 4.292 64 HB THR 10 HB THR 10 12.720 3.062 1.822 65 HG1 THR 10 1HG THR 10 12.491 0.847 2.188 66 HG21 THR 10 1HG2 THR 10 14.199 1.900 3.528 67 HG22 THR 10 2HG2 THR 10 13.169 2.620 4.766 68 HG23 THR 10 3HG2 THR 10 14.081 3.653 3.667 69 H ALA 11 HN ALA 11 11.146 3.839 0.742 70 HA ALA 11 HA ALA 11 10.238 6.341 0.200 71 HB1 ALA 11 1HB ALA 11 12.714 7.328 -0.286 72 HB2 ALA 11 2HB ALA 11 11.761 7.690 1.154 73 HB3 ALA 11 3HB ALA 11 12.994 6.431 1.207 74 H GLU 12 HN GLU 12 12.516 3.834 -0.579 75 HA GLU 12 HA GLU 12 13.406 4.261 -3.061 76 HB2 GLU 12 2HB GLU 12 12.547 1.757 -3.488 77 HB3 GLU 12 3HB GLU 12 13.920 2.133 -2.457 78 HG2 GLU 12 2HG GLU 12 12.791 1.658 -0.534 79 HG3 GLU 12 3HG GLU 12 11.220 2.065 -1.224 80 H SER 13 HN SER 13 10.414 2.375 -2.926 81 HA SER 13 HA SER 13 8.779 4.152 -4.352 82 HB2 SER 13 2HB SER 13 10.494 3.675 -6.137 83 HB3 SER 13 3HB SER 13 9.957 1.995 -6.116 84 HG SER 13 HG SER 13 7.764 3.106 -6.428 85 H LEU 14 HN LEU 14 7.085 3.464 -3.157 86 HA LEU 14 HA LEU 14 6.539 0.657 -2.778 87 HB2 LEU 14 2HB LEU 14 6.104 2.560 -1.120 88 HB3 LEU 14 3HB LEU 14 4.688 2.921 -2.104 89 HG LEU 14 HG LEU 14 3.795 0.687 -1.627 90 HD11 LEU 14 1HD1 LEU 14 6.477 0.302 -0.551 91 HD12 LEU 14 2HD1 LEU 14 5.294 -0.882 -1.104 92 HD13 LEU 14 3HD1 LEU 14 5.197 -0.240 0.535 93 HD21 LEU 14 1HD2 LEU 14 3.373 1.041 0.801 94 HD22 LEU 14 2HD2 LEU 14 3.091 2.471 -0.193 95 HD23 LEU 14 3HD2 LEU 14 4.564 2.343 0.771 96 H PHE 15 HN PHE 15 4.382 -0.253 -3.271 97 HA PHE 15 HA PHE 15 3.093 0.929 -5.619 98 HB2 PHE 15 2HB PHE 15 3.469 -2.007 -5.721 99 HB3 PHE 15 3HB PHE 15 3.472 -0.825 -7.025 100 HD1 PHE 15 1HD PHE 15 5.532 -1.841 -4.088 101 HD2 PHE 15 2HD PHE 15 5.458 -0.372 -8.082 102 HE1 PHE 15 1HE PHE 15 7.990 -1.943 -4.167 103 HE2 PHE 15 2HE PHE 15 7.915 -0.472 -8.167 104 HZ PHE 15 HZ PHE 15 9.184 -1.260 -6.209 105 HA PRO 16 HA PRO 16 1.566 -0.098 -7.129 106 HB2 PRO 16 2HB PRO 16 -0.866 1.041 -7.523 107 HB3 PRO 16 3HB PRO 16 -0.608 -0.707 -7.558 108 HG2 PRO 16 2HG PRO 16 -1.663 1.007 -5.342 109 HG3 PRO 16 3HG PRO 16 -2.239 -0.572 -5.907 110 HD2 PRO 16 2HD PRO 16 -0.683 -0.289 -3.709 111 HD3 PRO 16 3HD PRO 16 -0.605 -1.720 -4.756 112 H CYS 17 HN CYS 17 -0.175 2.129 -4.945 113 HA CYS 17 HA CYS 17 1.385 4.344 -6.095 114 HB2 CYS 17 2HB CYS 17 -1.294 4.374 -4.689 115 HB3 CYS 17 3HB CYS 17 -0.428 5.812 -5.220 116 H ARG 18 HN ARG 18 1.951 6.105 -4.591 117 HA ARG 18 HA ARG 18 3.410 5.172 -2.398 118 HB2 ARG 18 2HB ARG 18 4.122 7.334 -2.136 119 HB3 ARG 18 3HB ARG 18 3.501 7.430 -3.778 120 HG2 ARG 18 2HG ARG 18 2.008 8.248 -1.295 121 HG3 ARG 18 3HG ARG 18 2.815 9.341 -2.422 122 HD2 ARG 18 2HD ARG 18 0.988 7.513 -3.752 123 HD3 ARG 18 3HD ARG 18 0.181 8.507 -2.539 124 HE ARG 18 HE ARG 18 1.149 9.365 -5.066 125 HH11 ARG 18 1HH1 ARG 18 0.762 10.389 -1.761 126 HH12 ARG 18 2HH1 ARG 18 0.671 12.074 -2.157 127 HH21 ARG 18 1HH2 ARG 18 1.031 11.580 -5.599 128 HH22 ARG 18 2HH2 ARG 18 0.824 12.750 -4.340 129 H VAL 19 HN VAL 19 0.112 6.225 -2.667 130 HA VAL 19 HA VAL 19 -0.283 5.592 0.169 131 HB VAL 19 HB VAL 19 -1.260 8.077 -1.228 132 HG11 VAL 19 1HG1 VAL 19 -3.166 7.871 -0.089 133 HG12 VAL 19 2HG1 VAL 19 -2.545 6.518 0.859 134 HG13 VAL 19 3HG1 VAL 19 -2.214 8.175 1.364 135 HG21 VAL 19 1HG2 VAL 19 0.280 9.155 -0.033 136 HG22 VAL 19 2HG2 VAL 19 -0.218 8.355 1.457 137 HG23 VAL 19 3HG2 VAL 19 0.949 7.579 0.386 138 H CYS 20 HN CYS 20 -2.733 7.044 -1.828 139 HA CYS 20 HA CYS 20 -4.812 6.286 -2.401 140 HB2 CYS 20 2HB CYS 20 -3.024 4.082 -3.435 141 HB3 CYS 20 3HB CYS 20 -4.740 4.191 -3.817 142 H THR 21 HN THR 21 -6.098 3.948 -2.513 143 HA THR 21 HA THR 21 -6.679 3.376 0.184 144 HB THR 21 HB THR 21 -7.654 1.214 -1.307 145 HG1 THR 21 1HG THR 21 -8.641 2.486 -3.078 146 HG21 THR 21 1HG2 THR 21 -8.693 2.883 0.432 147 HG22 THR 21 2HG2 THR 21 -9.723 2.066 -0.744 148 HG23 THR 21 3HG2 THR 21 -9.228 3.735 -1.017 149 H ARG 22 HN ARG 22 -4.666 2.765 1.115 150 HA ARG 22 HA ARG 22 -3.221 1.232 1.977 151 HB2 ARG 22 2HB ARG 22 -5.472 -0.318 1.085 152 HB3 ARG 22 3HB ARG 22 -3.988 -1.220 0.806 153 HG2 ARG 22 2HG ARG 22 -3.372 -0.916 3.158 154 HG3 ARG 22 3HG ARG 22 -4.882 -0.043 3.430 155 HD2 ARG 22 2HD ARG 22 -5.241 -2.642 2.145 156 HD3 ARG 22 3HD ARG 22 -4.514 -2.742 3.748 157 HE ARG 22 HE ARG 22 -7.214 -2.257 3.199 158 HH11 ARG 22 1HH1 ARG 22 -4.653 -1.030 5.213 159 HH12 ARG 22 2HH1 ARG 22 -5.720 -0.491 6.467 160 HH21 ARG 22 1HH2 ARG 22 -8.630 -1.551 4.843 161 HH22 ARG 22 2HH2 ARG 22 -7.982 -0.789 6.256 162 H VAL 23 HN VAL 23 -1.496 -0.336 1.333 163 HA VAL 23 HA VAL 23 -0.729 0.065 -1.487 164 HB VAL 23 HB VAL 23 1.626 0.058 -0.758 165 HG11 VAL 23 1HG1 VAL 23 1.061 2.232 -1.031 166 HG12 VAL 23 2HG1 VAL 23 -0.325 2.122 0.055 167 HG13 VAL 23 3HG1 VAL 23 1.304 2.275 0.715 168 HG21 VAL 23 1HG2 VAL 23 2.199 -0.654 1.265 169 HG22 VAL 23 2HG2 VAL 23 1.316 0.687 1.995 170 HG23 VAL 23 3HG2 VAL 23 0.497 -0.844 1.685 171 H PHE 24 HN PHE 24 0.240 -1.635 -2.569 172 HA PHE 24 HA PHE 24 0.647 -4.150 -1.148 173 HB2 PHE 24 2HB PHE 24 -0.671 -4.860 -3.546 174 HB3 PHE 24 3HB PHE 24 -1.236 -5.093 -1.895 175 HD1 PHE 24 1HD PHE 24 -1.905 -3.562 -4.992 176 HD2 PHE 24 2HD PHE 24 -2.392 -3.031 -0.797 177 HE1 PHE 24 1HE PHE 24 -3.749 -1.988 -5.409 178 HE2 PHE 24 2HE PHE 24 -4.238 -1.458 -1.208 179 HZ PHE 24 HZ PHE 24 -4.919 -0.934 -3.515 180 H HIS 25 HN HIS 25 2.661 -4.682 -1.653 181 HA HIS 25 HA HIS 25 4.194 -3.702 -3.724 182 HB2 HIS 25 2HB HIS 25 4.416 -6.360 -2.300 183 HB3 HIS 25 3HB HIS 25 5.664 -5.693 -3.348 184 HD2 HIS 25 2HD HIS 25 4.337 -2.822 -1.351 185 HE1 HIS 25 1HE HIS 25 7.518 -4.423 0.956 186 HE2 HIS 25 2HE HIS 25 5.888 -2.518 0.696 187 H ASP 26 HN ASP 26 4.779 -4.430 -5.764 188 HA ASP 26 HA ASP 26 2.752 -5.618 -7.312 189 HB2 ASP 26 2HB ASP 26 4.159 -4.210 -8.521 190 HB3 ASP 26 3HB ASP 26 5.619 -4.899 -7.815 191 H GLY 27 HN GLY 27 5.389 -6.961 -5.517 192 HA2 GLY 27 1HA GLY 27 5.209 -9.533 -6.884 193 HA3 GLY 27 2HA GLY 27 6.347 -9.106 -5.615 194 H CYS 28 HN CYS 28 4.075 -8.005 -3.983 195 HA CYS 28 HA CYS 28 3.511 -10.419 -2.556 196 HB2 CYS 28 2HB CYS 28 2.780 -7.529 -2.197 197 HB3 CYS 28 3HB CYS 28 1.993 -8.768 -1.225 198 H LEU 29 HN LEU 29 1.677 -8.261 -4.654 199 HA LEU 29 HA LEU 29 -0.867 -9.380 -4.219 200 HB2 LEU 29 2HB LEU 29 0.309 -7.922 -6.574 201 HB3 LEU 29 3HB LEU 29 -1.384 -8.407 -6.489 202 HG LEU 29 HG LEU 29 -0.070 -6.571 -4.491 203 HD11 LEU 29 1HD1 LEU 29 -0.291 -4.861 -5.883 204 HD12 LEU 29 2HD1 LEU 29 -1.966 -5.294 -6.226 205 HD13 LEU 29 3HD1 LEU 29 -0.659 -6.010 -7.170 206 HD21 LEU 29 1HD2 LEU 29 -2.968 -7.143 -5.103 207 HD22 LEU 29 2HD2 LEU 29 -2.359 -6.024 -3.883 208 HD23 LEU 29 3HD2 LEU 29 -2.073 -7.757 -3.713 209 H ARG 30 HN ARG 30 1.751 -10.245 -6.401 210 HA ARG 30 HA ARG 30 0.183 -12.249 -7.765 211 HB2 ARG 30 2HB ARG 30 1.741 -11.864 -9.317 212 HB3 ARG 30 3HB ARG 30 2.695 -10.924 -8.177 213 HG2 ARG 30 2HG ARG 30 3.731 -12.998 -7.361 214 HG3 ARG 30 3HG ARG 30 2.807 -13.908 -8.558 215 HD2 ARG 30 2HD ARG 30 4.429 -13.542 -10.030 216 HD3 ARG 30 3HD ARG 30 4.069 -11.817 -9.950 217 HE ARG 30 HE ARG 30 6.027 -11.541 -8.825 218 HH11 ARG 30 1HH1 ARG 30 4.983 -14.838 -8.415 219 HH12 ARG 30 2HH1 ARG 30 6.397 -15.312 -7.531 220 HH21 ARG 30 1HH2 ARG 30 7.892 -12.153 -7.663 221 HH22 ARG 30 2HH2 ARG 30 8.049 -13.784 -7.103 222 H ARG 31 HN ARG 31 2.236 -12.075 -4.999 223 HA ARG 31 HA ARG 31 2.931 -14.841 -4.885 224 HB2 ARG 31 2HB ARG 31 4.401 -13.537 -3.664 225 HB3 ARG 31 3HB ARG 31 3.122 -12.517 -3.018 226 HG2 ARG 31 2HG ARG 31 2.622 -13.975 -1.324 227 HG3 ARG 31 3HG ARG 31 3.220 -15.379 -2.211 228 HD2 ARG 31 2HD ARG 31 5.045 -15.215 -0.934 229 HD3 ARG 31 3HD ARG 31 5.468 -13.823 -1.929 230 HE ARG 31 HE ARG 31 3.831 -12.839 0.043 231 HH11 ARG 31 1HH1 ARG 31 6.851 -14.565 -0.083 232 HH12 ARG 31 2HH1 ARG 31 7.457 -13.873 1.386 233 HH21 ARG 31 1HH2 ARG 31 4.618 -11.920 1.977 234 HH22 ARG 31 2HH2 ARG 31 6.186 -12.370 2.556 235 H MET 32 HN MET 32 0.555 -12.845 -3.140 236 HA MET 32 HA MET 32 -0.591 -15.064 -1.761 237 HB2 MET 32 2HB MET 32 -1.886 -12.382 -2.247 238 HB3 MET 32 3HB MET 32 -2.216 -13.513 -0.941 239 HG2 MET 32 2HG MET 32 0.478 -12.249 -1.285 240 HG3 MET 32 3HG MET 32 -0.825 -11.446 -0.411 241 HE1 MET 32 1HE MET 32 -2.127 -12.382 1.261 242 HE2 MET 32 2HE MET 32 -1.875 -13.892 2.137 243 HE3 MET 32 3HE MET 32 -1.080 -12.414 2.682 244 H GLY 33 HN GLY 33 -1.061 -13.631 -4.870 245 HA2 GLY 33 1HA GLY 33 -2.157 -14.865 -6.606 246 HA3 GLY 33 2HA GLY 33 -3.204 -15.578 -5.388 247 H TYR 34 HN TYR 34 -3.072 -12.480 -4.483 248 HA TYR 34 HA TYR 34 -5.628 -11.759 -4.889 249 HB2 TYR 34 2HB TYR 34 -3.116 -10.164 -4.741 250 HB3 TYR 34 3HB TYR 34 -4.593 -9.326 -5.198 251 HD1 TYR 34 1HD TYR 34 -6.679 -10.222 -3.594 252 HD2 TYR 34 2HD TYR 34 -2.574 -9.908 -2.523 253 HE1 TYR 34 1HE TYR 34 -7.316 -10.046 -1.225 254 HE2 TYR 34 2HE TYR 34 -3.200 -9.731 -0.151 255 HH TYR 34 HH TYR 34 -4.915 -9.417 1.281 256 H ILE 35 HN ILE 35 -3.076 -11.640 -7.290 257 HA ILE 35 HA ILE 35 -5.100 -11.262 -9.364 258 HB ILE 35 HB ILE 35 -3.534 -9.663 -10.554 259 HG12 ILE 35 2HG1 ILE 35 -2.346 -8.391 -8.385 260 HG13 ILE 35 3HG1 ILE 35 -2.058 -10.101 -8.083 261 HG21 ILE 35 1HG2 ILE 35 -5.601 -8.883 -9.617 262 HG22 ILE 35 2HG2 ILE 35 -4.892 -8.810 -8.004 263 HG23 ILE 35 3HG2 ILE 35 -4.342 -7.702 -9.259 264 HD11 ILE 35 1HD1 ILE 35 -0.216 -9.136 -9.303 265 HD12 ILE 35 2HD1 ILE 35 -1.063 -10.304 -10.316 266 HD13 ILE 35 3HD1 ILE 35 -1.311 -8.575 -10.566 267 H GLN 36 HN GLN 36 -4.001 -11.486 -11.602 268 HA GLN 36 HA GLN 36 -2.015 -13.657 -11.436 269 HB2 GLN 36 2HB GLN 36 -4.535 -13.399 -12.955 270 HB3 GLN 36 3HB GLN 36 -3.177 -14.064 -13.852 271 HG2 GLN 36 2HG GLN 36 -3.398 -16.029 -12.864 272 HG3 GLN 36 3HG GLN 36 -3.364 -15.292 -11.262 273 HE21 GLN 36 1HE2 GLN 36 -5.129 -17.209 -13.180 274 HE22 GLN 36 2HE2 GLN 36 -6.714 -16.887 -12.572 275 H GLY 37 HN GLY 37 -0.168 -13.426 -12.541 276 HA2 GLY 37 1HA GLY 37 0.885 -12.713 -14.660 277 HA3 GLY 37 2HA GLY 37 -0.021 -11.216 -14.498 278 H ASP 38 HN ASP 38 2.898 -11.753 -14.704 279 HA ASP 38 HA ASP 38 3.686 -10.139 -12.390 280 HB2 ASP 38 2HB ASP 38 5.543 -11.483 -11.836 281 HB3 ASP 38 3HB ASP 38 4.219 -12.623 -12.058 282 H SER 39 HN SER 39 5.850 -9.128 -12.701 283 HA SER 39 HA SER 39 6.742 -8.900 -15.461 284 HB2 SER 39 2HB SER 39 6.424 -6.252 -14.252 285 HB3 SER 39 3HB SER 39 6.006 -6.808 -15.873 286 HG SER 39 HG SER 39 4.127 -7.792 -14.889 287 H ALA 40 HN ALA 40 8.526 -6.980 -15.408 288 HA ALA 40 HA ALA 40 10.330 -7.720 -13.205 289 HB1 ALA 40 1HB ALA 40 11.056 -6.658 -15.931 290 HB2 ALA 40 2HB ALA 40 12.173 -7.219 -14.687 291 HB3 ALA 40 3HB ALA 40 11.075 -8.359 -15.466 292 H ALA 41 HN ALA 41 8.402 -5.237 -14.271 293 HA ALA 41 HA ALA 41 8.320 -2.976 -13.929 294 HB1 ALA 41 1HB ALA 41 8.693 -2.303 -11.664 295 HB2 ALA 41 2HB ALA 41 8.035 -3.940 -11.649 296 HB3 ALA 41 3HB ALA 41 9.757 -3.680 -11.377 297 H GLU 42 HN GLU 42 9.620 -2.079 -15.489 298 HA GLU 42 HA GLU 42 12.217 -1.116 -14.556 299 HB2 GLU 42 2HB GLU 42 11.756 -2.907 -16.886 300 HB3 GLU 42 3HB GLU 42 12.923 -1.609 -17.084 301 HG2 GLU 42 2HG GLU 42 13.883 -2.513 -14.835 302 HG3 GLU 42 3HG GLU 42 13.014 -3.979 -15.283 303 H VAL 43 HN VAL 43 10.502 0.681 -14.407 304 HA VAL 43 HA VAL 43 10.346 2.105 -16.983 305 HB VAL 43 HB VAL 43 8.648 3.288 -15.000 306 HG11 VAL 43 1HG1 VAL 43 8.337 2.020 -17.690 307 HG12 VAL 43 2HG1 VAL 43 6.911 2.487 -16.759 308 HG13 VAL 43 3HG1 VAL 43 8.109 3.701 -17.210 309 HG21 VAL 43 1HG2 VAL 43 7.033 1.295 -14.926 310 HG22 VAL 43 2HG2 VAL 43 8.445 0.309 -15.306 311 HG23 VAL 43 3HG2 VAL 43 8.416 1.276 -13.832 312 H THR 44 HN THR 44 10.315 2.948 -13.516 313 HA THR 44 HA THR 44 12.693 4.495 -13.662 314 HB THR 44 HB THR 44 11.086 5.991 -14.889 315 HG1 THR 44 1HG THR 44 12.159 7.642 -14.063 316 HG21 THR 44 1HG2 THR 44 9.455 7.240 -13.509 317 HG22 THR 44 2HG2 THR 44 9.797 6.153 -12.163 318 HG23 THR 44 3HG2 THR 44 9.062 5.526 -13.639 319 H GLU 45 HN GLU 45 9.640 3.873 -12.013 320 HA GLU 45 HA GLU 45 9.171 3.449 -9.823 321 HB2 GLU 45 2HB GLU 45 12.113 3.595 -9.203 322 HB3 GLU 45 3HB GLU 45 10.864 2.683 -8.366 323 HG2 GLU 45 2HG GLU 45 11.572 2.084 -11.211 324 HG3 GLU 45 3HG GLU 45 12.508 1.420 -9.872 325 H MET 46 HN MET 46 8.162 5.118 -8.919 326 HA MET 46 HA MET 46 9.637 7.070 -7.428 327 HB2 MET 46 2HB MET 46 8.211 7.863 -9.957 328 HB3 MET 46 3HB MET 46 8.458 9.006 -8.644 329 HG2 MET 46 2HG MET 46 10.957 8.168 -8.882 330 HG3 MET 46 3HG MET 46 10.414 7.811 -10.520 331 HE1 MET 46 1HE MET 46 12.359 10.619 -8.754 332 HE2 MET 46 2HE MET 46 12.719 9.451 -10.025 333 HE3 MET 46 3HE MET 46 12.575 11.165 -10.418 334 H ALA 47 HN ALA 47 8.484 6.557 -5.631 335 HA ALA 47 HA ALA 47 5.678 6.143 -5.590 336 HB1 ALA 47 1HB ALA 47 7.850 6.008 -3.730 337 HB2 ALA 47 2HB ALA 47 6.503 6.889 -3.008 338 HB3 ALA 47 3HB ALA 47 6.255 5.261 -3.639 339 H HIS 48 HN HIS 48 7.341 8.652 -3.707 340 HA HIS 48 HA HIS 48 5.074 10.346 -3.663 341 HB2 HIS 48 2HB HIS 48 7.925 10.589 -2.809 342 HB3 HIS 48 3HB HIS 48 6.955 12.055 -2.920 343 HD1 HIS 48 1HD HIS 48 4.439 11.585 -1.623 344 HD2 HIS 48 2HD HIS 48 7.853 9.619 -0.301 345 HE1 HIS 48 1HE HIS 48 3.938 10.880 0.739 346 H THR 49 HN THR 49 4.354 10.945 -5.657 347 HA THR 49 HA THR 49 5.727 13.071 -6.972 348 HB THR 49 HB THR 49 5.365 11.398 -9.182 349 HG1 THR 49 1HG THR 49 5.639 9.462 -8.356 350 HG21 THR 49 1HG2 THR 49 7.599 12.694 -7.757 351 HG22 THR 49 2HG2 THR 49 7.151 12.757 -9.462 352 HG23 THR 49 3HG2 THR 49 8.046 11.373 -8.835 353 H GLU 50 HN GLU 50 4.511 13.125 -9.401 354 HA GLU 50 HA GLU 50 1.792 13.730 -8.673 355 HB2 GLU 50 2HB GLU 50 2.855 13.828 -11.479 356 HB3 GLU 50 3HB GLU 50 1.626 14.837 -10.729 357 HG2 GLU 50 2HG GLU 50 4.049 15.192 -9.298 358 HG3 GLU 50 3HG GLU 50 4.395 15.341 -11.019 359 H THR 51 HN THR 51 0.626 13.181 -11.254 360 HA THR 51 HA THR 51 -0.411 10.606 -10.763 361 HB THR 51 HB THR 51 -0.650 11.621 -13.525 362 HG1 THR 51 1HG THR 51 -2.127 13.059 -11.642 363 HG21 THR 51 1HG2 THR 51 -2.304 10.327 -11.451 364 HG22 THR 51 2HG2 THR 51 -2.265 10.069 -13.196 365 HG23 THR 51 3HG2 THR 51 -3.151 11.438 -12.526 366 H GLY 52 HN GLY 52 0.804 8.822 -10.912 367 HA2 GLY 52 1HA GLY 52 2.116 8.275 -13.471 368 HA3 GLY 52 2HA GLY 52 3.105 8.203 -12.020 369 H TRP 53 HN TRP 53 2.184 6.764 -10.251 370 HA TRP 53 HA TRP 53 1.656 4.182 -11.431 371 HB2 TRP 53 2HB TRP 53 2.871 5.129 -9.048 372 HB3 TRP 53 3HB TRP 53 1.510 4.119 -8.570 373 HD1 TRP 53 1HD TRP 53 1.581 1.521 -9.363 374 HE1 TRP 53 1HE TRP 53 3.574 -0.007 -9.921 375 HE3 TRP 53 3HE TRP 53 5.176 5.092 -10.043 376 HZ2 TRP 53 2HZ TRP 53 6.310 0.264 -10.564 377 HZ3 TRP 53 3HZ TRP 53 7.455 4.374 -10.628 378 HH2 TRP 53 2HH TRP 53 8.009 2.010 -10.882 379 H SER 54 HN SER 54 -0.117 2.836 -10.949 380 HA SER 54 HA SER 54 -2.466 4.201 -9.816 381 HB2 SER 54 2HB SER 54 -3.642 2.589 -11.636 382 HB3 SER 54 3HB SER 54 -3.200 4.263 -11.972 383 HG SER 54 HG SER 54 -1.143 3.360 -12.725 384 H CYS 55 HN CYS 55 -3.986 2.875 -8.774 385 HA CYS 55 HA CYS 55 -2.847 0.510 -7.585 386 HB2 CYS 55 2HB CYS 55 -5.586 1.741 -7.216 387 HB3 CYS 55 3HB CYS 55 -4.875 0.487 -6.206 388 H HIS 56 HN HIS 56 -4.144 -1.509 -7.396 389 HA HIS 56 HA HIS 56 -4.638 -2.635 -9.897 390 HB2 HIS 56 2HB HIS 56 -4.106 -4.081 -8.075 391 HB3 HIS 56 3HB HIS 56 -5.471 -3.498 -7.127 392 HD1 HIS 56 1HD HIS 56 -4.706 -5.625 -10.151 393 HD2 HIS 56 2HD HIS 56 -7.832 -4.845 -7.526 394 HE1 HIS 56 1HE HIS 56 -6.472 -7.336 -10.681 395 H TYR 57 HN TYR 57 -6.596 -0.585 -8.039 396 HA TYR 57 HA TYR 57 -8.680 -0.603 -9.980 397 HB2 TYR 57 2HB TYR 57 -10.475 -1.517 -8.754 398 HB3 TYR 57 3HB TYR 57 -9.157 -2.664 -8.541 399 HD1 TYR 57 1HD TYR 57 -11.781 -1.527 -6.848 400 HD2 TYR 57 2HD TYR 57 -7.547 -1.549 -6.433 401 HE1 TYR 57 1HE TYR 57 -12.026 -1.343 -4.408 402 HE2 TYR 57 2HE TYR 57 -7.780 -1.367 -3.992 403 HH TYR 57 HH TYR 57 -10.485 -0.412 -2.470 404 H CYS 58 HN CYS 58 -6.919 1.303 -8.796 405 HA CYS 58 HA CYS 58 -7.822 2.874 -6.765 406 HB2 CYS 58 2HB CYS 58 -5.876 3.156 -8.599 407 HB3 CYS 58 3HB CYS 58 -7.019 4.346 -9.215 408 H ASP 59 HN ASP 59 -8.785 3.287 -10.176 409 HA ASP 59 HA ASP 59 -11.491 3.883 -9.437 410 HB2 ASP 59 2HB ASP 59 -11.609 6.158 -10.081 411 HB3 ASP 59 3HB ASP 59 -10.200 6.046 -9.029 412 H ASN 60 HN ASN 60 -12.398 5.134 -11.682 413 HA ASN 60 HA ASN 60 -12.634 3.088 -13.533 414 HB2 ASN 60 2HB ASN 60 -14.295 4.689 -13.732 415 HB3 ASN 60 3HB ASN 60 -13.159 6.031 -13.623 416 HD21 ASN 60 1HD2 ASN 60 -12.111 6.742 -15.451 417 HD22 ASN 60 2HD2 ASN 60 -12.568 6.246 -17.042 Start of MODEL 20 1 H1 GLU 1 HN GLU 1 3.606 4.581 3.938 2 HA GLU 1 HA GLU 1 1.171 2.932 3.893 3 HB2 GLU 1 2HB GLU 1 1.587 2.739 1.374 4 HB3 GLU 1 3HB GLU 1 0.891 4.240 1.966 5 HG2 GLU 1 2HG GLU 1 3.401 4.998 2.047 6 HG3 GLU 1 3HG GLU 1 3.600 3.707 0.864 7 H MET 2 HN MET 2 1.950 1.126 4.842 8 HA MET 2 HA MET 2 4.405 -0.052 3.717 9 HB2 MET 2 2HB MET 2 3.365 -1.117 6.268 10 HB3 MET 2 3HB MET 2 5.019 -0.778 5.777 11 HG2 MET 2 2HG MET 2 4.602 1.623 6.134 12 HG3 MET 2 3HG MET 2 2.982 1.231 6.705 13 HE1 MET 2 1HE MET 2 6.699 -0.391 7.626 14 HE2 MET 2 2HE MET 2 6.647 1.320 7.202 15 HE3 MET 2 3HE MET 2 6.948 0.834 8.871 16 H CYS 3 HN CYS 3 4.218 -1.878 2.597 17 HA CYS 3 HA CYS 3 2.031 -3.019 1.602 18 HB2 CYS 3 2HB CYS 3 4.309 -3.773 1.062 19 HB3 CYS 3 3HB CYS 3 4.407 -4.595 2.615 20 H ASP 4 HN ASP 4 0.185 -3.674 2.462 21 HA ASP 4 HA ASP 4 -0.165 -4.298 5.189 22 HB2 ASP 4 2HB ASP 4 -1.873 -3.558 3.304 23 HB3 ASP 4 3HB ASP 4 -2.107 -5.298 3.152 24 H VAL 5 HN VAL 5 1.264 -6.094 2.797 25 HA VAL 5 HA VAL 5 0.491 -8.659 4.013 26 HB VAL 5 HB VAL 5 1.823 -8.115 1.356 27 HG11 VAL 5 1HG1 VAL 5 1.254 -10.612 1.050 28 HG12 VAL 5 2HG1 VAL 5 2.680 -10.180 1.997 29 HG13 VAL 5 3HG1 VAL 5 1.189 -10.654 2.812 30 HG21 VAL 5 1HG2 VAL 5 -0.369 -9.224 0.566 31 HG22 VAL 5 2HG2 VAL 5 -0.980 -8.797 2.164 32 HG23 VAL 5 3HG2 VAL 5 -0.412 -7.535 1.072 33 H CYS 6 HN CYS 6 2.805 -6.377 4.306 34 HA CYS 6 HA CYS 6 4.707 -8.294 5.400 35 HB2 CYS 6 2HB CYS 6 5.471 -6.216 3.339 36 HB3 CYS 6 3HB CYS 6 6.619 -7.154 4.288 37 H GLU 7 HN GLU 7 4.166 -4.831 4.752 38 HA GLU 7 HA GLU 7 3.988 -3.095 6.257 39 HB2 GLU 7 2HB GLU 7 5.063 -4.803 8.476 40 HB3 GLU 7 3HB GLU 7 3.963 -3.434 8.565 41 HG2 GLU 7 2HG GLU 7 2.703 -5.431 7.014 42 HG3 GLU 7 3HG GLU 7 3.360 -6.208 8.454 43 H VAL 8 HN VAL 8 5.901 -2.758 4.708 44 HA VAL 8 HA VAL 8 8.047 -1.652 6.208 45 HB VAL 8 HB VAL 8 9.667 -3.177 4.625 46 HG11 VAL 8 1HG1 VAL 8 9.083 -4.291 7.300 47 HG12 VAL 8 2HG1 VAL 8 10.617 -3.783 6.590 48 HG13 VAL 8 3HG1 VAL 8 9.499 -2.579 7.232 49 HG21 VAL 8 1HG2 VAL 8 7.806 -5.189 5.829 50 HG22 VAL 8 2HG2 VAL 8 7.512 -4.563 4.206 51 HG23 VAL 8 3HG2 VAL 8 9.020 -5.402 4.567 52 H TRP 9 HN TRP 9 7.566 0.210 5.074 53 HA TRP 9 HA TRP 9 7.339 0.325 2.248 54 HB2 TRP 9 2HB TRP 9 6.381 2.223 3.004 55 HB3 TRP 9 3HB TRP 9 7.338 2.222 4.484 56 HD1 TRP 9 1HD TRP 9 9.925 3.239 4.195 57 HE1 TRP 9 1HE TRP 9 10.716 5.208 2.740 58 HE3 TRP 9 3HE TRP 9 5.993 3.470 0.934 59 HZ2 TRP 9 2HZ TRP 9 9.795 6.668 0.505 60 HZ3 TRP 9 3HZ TRP 9 6.025 5.182 -0.832 61 HH2 TRP 9 2HH TRP 9 7.889 6.748 -1.040 62 H THR 10 HN THR 10 8.799 1.617 0.847 63 HA THR 10 HA THR 10 11.624 1.338 1.626 64 HB THR 10 HB THR 10 10.370 0.540 -1.002 65 HG1 THR 10 1HG THR 10 10.684 -1.413 -0.251 66 HG21 THR 10 1HG2 THR 10 13.154 1.324 -0.339 67 HG22 THR 10 2HG2 THR 10 12.271 1.460 -1.860 68 HG23 THR 10 3HG2 THR 10 12.937 -0.095 -1.362 69 H ALA 11 HN ALA 11 10.349 2.381 -1.479 70 HA ALA 11 HA ALA 11 10.070 5.058 -1.259 71 HB1 ALA 11 1HB ALA 11 12.004 5.854 -0.486 72 HB2 ALA 11 2HB ALA 11 12.841 4.328 -0.774 73 HB3 ALA 11 3HB ALA 11 12.664 5.499 -2.082 74 H GLU 12 HN GLU 12 12.187 2.883 -3.131 75 HA GLU 12 HA GLU 12 12.254 3.936 -5.576 76 HB2 GLU 12 2HB GLU 12 11.341 1.082 -5.265 77 HB3 GLU 12 3HB GLU 12 12.367 1.764 -6.519 78 HG2 GLU 12 2HG GLU 12 13.827 2.309 -4.304 79 HG3 GLU 12 3HG GLU 12 13.048 0.798 -3.838 80 H SER 13 HN SER 13 9.488 1.922 -4.559 81 HA SER 13 HA SER 13 7.467 3.599 -5.418 82 HB2 SER 13 2HB SER 13 8.809 2.250 -7.615 83 HB3 SER 13 3HB SER 13 7.096 1.835 -7.550 84 HG SER 13 HG SER 13 6.575 3.845 -8.015 85 H LEU 14 HN LEU 14 6.228 2.807 -3.811 86 HA LEU 14 HA LEU 14 5.773 -0.082 -3.657 87 HB2 LEU 14 2HB LEU 14 6.154 1.872 -1.718 88 HB3 LEU 14 3HB LEU 14 4.430 1.513 -1.646 89 HG LEU 14 HG LEU 14 6.633 -0.532 -1.382 90 HD11 LEU 14 1HD1 LEU 14 6.088 -0.575 0.975 91 HD12 LEU 14 2HD1 LEU 14 4.875 0.684 0.743 92 HD13 LEU 14 3HD1 LEU 14 6.583 1.049 0.498 93 HD21 LEU 14 1HD2 LEU 14 4.608 -1.494 -2.276 94 HD22 LEU 14 2HD2 LEU 14 3.644 -0.714 -1.022 95 HD23 LEU 14 3HD2 LEU 14 4.796 -1.980 -0.591 96 H PHE 15 HN PHE 15 3.782 -1.003 -3.914 97 HA PHE 15 HA PHE 15 1.827 0.551 -5.363 98 HB2 PHE 15 2HB PHE 15 1.994 -2.365 -4.603 99 HB3 PHE 15 3HB PHE 15 0.608 -1.680 -5.446 100 HD1 PHE 15 1HD PHE 15 4.316 -1.392 -5.784 101 HD2 PHE 15 2HD PHE 15 0.587 -2.195 -7.672 102 HE1 PHE 15 1HE PHE 15 5.475 -1.703 -7.933 103 HE2 PHE 15 2HE PHE 15 1.740 -2.510 -9.823 104 HZ PHE 15 HZ PHE 15 4.187 -2.265 -9.956 105 HA PRO 16 HA PRO 16 -0.428 -0.033 -5.881 106 HB2 PRO 16 2HB PRO 16 -2.321 1.912 -5.892 107 HB3 PRO 16 3HB PRO 16 -2.654 0.251 -5.389 108 HG2 PRO 16 2HG PRO 16 -2.108 2.666 -3.706 109 HG3 PRO 16 3HG PRO 16 -3.324 1.395 -3.479 110 HD2 PRO 16 2HD PRO 16 -0.993 1.445 -2.101 111 HD3 PRO 16 3HD PRO 16 -1.803 -0.069 -2.553 112 H CYS 17 HN CYS 17 -0.400 3.144 -4.245 113 HA CYS 17 HA CYS 17 1.861 4.095 -5.646 114 HB2 CYS 17 2HB CYS 17 0.953 5.531 -7.265 115 HB3 CYS 17 3HB CYS 17 0.022 4.047 -7.449 116 H ARG 18 HN ARG 18 0.808 6.862 -5.784 117 HA ARG 18 HA ARG 18 1.304 7.565 -3.044 118 HB2 ARG 18 2HB ARG 18 2.119 9.358 -4.097 119 HB3 ARG 18 3HB ARG 18 1.346 8.884 -5.603 120 HG2 ARG 18 2HG ARG 18 0.658 11.113 -4.910 121 HG3 ARG 18 3HG ARG 18 -0.708 9.994 -4.917 122 HD2 ARG 18 2HD ARG 18 -1.102 10.392 -2.767 123 HD3 ARG 18 3HD ARG 18 0.555 9.957 -2.347 124 HE ARG 18 HE ARG 18 0.577 12.545 -3.396 125 HH11 ARG 18 1HH1 ARG 18 -0.639 10.835 -0.618 126 HH12 ARG 18 2HH1 ARG 18 -0.560 12.213 0.428 127 HH21 ARG 18 1HH2 ARG 18 0.687 14.367 -2.028 128 HH22 ARG 18 2HH2 ARG 18 0.194 14.222 -0.375 129 H VAL 19 HN VAL 19 -1.425 8.082 -5.278 130 HA VAL 19 HA VAL 19 -3.149 9.095 -3.246 131 HB VAL 19 HB VAL 19 -4.874 9.113 -4.882 132 HG11 VAL 19 1HG1 VAL 19 -3.913 10.417 -6.593 133 HG12 VAL 19 2HG1 VAL 19 -2.869 10.646 -5.188 134 HG13 VAL 19 3HG1 VAL 19 -2.375 9.562 -6.489 135 HG21 VAL 19 1HG2 VAL 19 -5.172 7.380 -6.237 136 HG22 VAL 19 2HG2 VAL 19 -3.758 7.883 -7.163 137 HG23 VAL 19 3HG2 VAL 19 -3.578 6.748 -5.825 138 H CYS 20 HN CYS 20 -5.438 7.438 -4.358 139 HA CYS 20 HA CYS 20 -6.730 5.776 -3.456 140 HB2 CYS 20 2HB CYS 20 -5.315 3.511 -3.487 141 HB3 CYS 20 3HB CYS 20 -5.899 4.273 -4.963 142 H THR 21 HN THR 21 -6.337 3.608 -1.915 143 HA THR 21 HA THR 21 -5.139 4.688 0.554 144 HB THR 21 HB THR 21 -6.884 3.202 1.726 145 HG1 THR 21 1HG THR 21 -8.634 2.606 0.534 146 HG21 THR 21 1HG2 THR 21 -8.438 5.320 0.440 147 HG22 THR 21 2HG2 THR 21 -6.868 5.858 1.037 148 HG23 THR 21 3HG2 THR 21 -8.017 5.096 2.137 149 H ARG 22 HN ARG 22 -6.589 1.520 0.156 150 HA ARG 22 HA ARG 22 -4.977 -0.094 1.428 151 HB2 ARG 22 2HB ARG 22 -5.591 -0.766 -1.447 152 HB3 ARG 22 3HB ARG 22 -5.429 -1.873 -0.091 153 HG2 ARG 22 2HG ARG 22 -7.469 -0.128 0.648 154 HG3 ARG 22 3HG ARG 22 -7.754 -0.481 -1.058 155 HD2 ARG 22 2HD ARG 22 -7.679 -2.868 -0.593 156 HD3 ARG 22 3HD ARG 22 -7.325 -2.542 1.103 157 HE ARG 22 HE ARG 22 -9.702 -1.237 0.476 158 HH11 ARG 22 1HH1 ARG 22 -8.482 -4.492 0.678 159 HH12 ARG 22 2HH1 ARG 22 -10.018 -5.181 1.088 160 HH21 ARG 22 1HH2 ARG 22 -11.729 -2.133 1.017 161 HH22 ARG 22 2HH2 ARG 22 -11.864 -3.839 1.280 162 H VAL 23 HN VAL 23 -2.933 -0.882 1.443 163 HA VAL 23 HA VAL 23 -1.123 0.026 -0.700 164 HB VAL 23 HB VAL 23 0.316 0.924 0.752 165 HG11 VAL 23 1HG1 VAL 23 -1.710 0.491 2.929 166 HG12 VAL 23 2HG1 VAL 23 -0.606 1.850 2.707 167 HG13 VAL 23 3HG1 VAL 23 -1.973 1.636 1.614 168 HG21 VAL 23 1HG2 VAL 23 1.153 -1.233 1.433 169 HG22 VAL 23 2HG2 VAL 23 1.027 -0.189 2.848 170 HG23 VAL 23 3HG2 VAL 23 -0.186 -1.437 2.562 171 H PHE 24 HN PHE 24 0.144 -1.476 -1.620 172 HA PHE 24 HA PHE 24 0.676 -3.989 -0.251 173 HB2 PHE 24 2HB PHE 24 0.004 -4.847 -2.815 174 HB3 PHE 24 3HB PHE 24 -0.931 -5.104 -1.346 175 HD1 PHE 24 1HD PHE 24 -0.579 -3.052 -4.365 176 HD2 PHE 24 2HD PHE 24 -2.933 -3.868 -0.914 177 HE1 PHE 24 1HE PHE 24 -2.423 -1.727 -5.314 178 HE2 PHE 24 2HE PHE 24 -4.781 -2.545 -1.858 179 HZ PHE 24 HZ PHE 24 -4.527 -1.473 -4.060 180 H HIS 25 HN HIS 25 2.106 -5.415 -1.720 181 HA HIS 25 HA HIS 25 4.228 -3.695 -2.743 182 HB2 HIS 25 2HB HIS 25 4.073 -6.405 -1.595 183 HB3 HIS 25 3HB HIS 25 5.229 -6.224 -2.911 184 HD2 HIS 25 2HD HIS 25 5.984 -3.035 -1.802 185 HE1 HIS 25 1HE HIS 25 7.635 -5.300 1.382 186 HE2 HIS 25 2HE HIS 25 7.521 -3.040 0.278 187 H ASP 26 HN ASP 26 5.515 -4.846 -4.625 188 HA ASP 26 HA ASP 26 3.639 -5.014 -6.831 189 HB2 ASP 26 2HB ASP 26 5.373 -4.407 -8.194 190 HB3 ASP 26 3HB ASP 26 5.999 -3.778 -6.673 191 H GLY 27 HN GLY 27 5.825 -7.085 -5.052 192 HA2 GLY 27 1HA GLY 27 5.443 -9.280 -6.940 193 HA3 GLY 27 2HA GLY 27 6.505 -9.286 -5.540 194 H CYS 28 HN CYS 28 4.615 -8.433 -3.609 195 HA CYS 28 HA CYS 28 3.550 -10.851 -2.770 196 HB2 CYS 28 2HB CYS 28 2.938 -7.997 -2.064 197 HB3 CYS 28 3HB CYS 28 2.008 -9.310 -1.350 198 H LEU 29 HN LEU 29 1.733 -8.095 -4.127 199 HA LEU 29 HA LEU 29 -0.774 -9.060 -4.264 200 HB2 LEU 29 2HB LEU 29 0.650 -7.665 -6.526 201 HB3 LEU 29 3HB LEU 29 -1.097 -7.788 -6.337 202 HG LEU 29 HG LEU 29 0.624 -6.438 -4.277 203 HD11 LEU 29 1HD1 LEU 29 -0.807 -4.919 -6.416 204 HD12 LEU 29 2HD1 LEU 29 0.829 -5.516 -6.693 205 HD13 LEU 29 3HD1 LEU 29 0.510 -4.404 -5.362 206 HD21 LEU 29 1HD2 LEU 29 -2.184 -6.982 -4.628 207 HD22 LEU 29 2HD2 LEU 29 -1.888 -5.246 -4.519 208 HD23 LEU 29 3HD2 LEU 29 -1.333 -6.319 -3.232 209 H ARG 30 HN ARG 30 1.929 -10.134 -6.208 210 HA ARG 30 HA ARG 30 0.227 -11.862 -7.820 211 HB2 ARG 30 2HB ARG 30 3.207 -11.361 -7.852 212 HB3 ARG 30 3HB ARG 30 2.387 -12.481 -8.931 213 HG2 ARG 30 2HG ARG 30 1.244 -10.751 -10.035 214 HG3 ARG 30 3HG ARG 30 1.634 -9.581 -8.772 215 HD2 ARG 30 2HD ARG 30 4.074 -10.635 -9.749 216 HD3 ARG 30 3HD ARG 30 3.084 -10.208 -11.144 217 HE ARG 30 HE ARG 30 4.411 -8.413 -9.421 218 HH11 ARG 30 1HH1 ARG 30 1.405 -8.817 -11.130 219 HH12 ARG 30 2HH1 ARG 30 1.114 -7.116 -11.284 220 HH21 ARG 30 1HH2 ARG 30 4.039 -6.171 -9.619 221 HH22 ARG 30 2HH2 ARG 30 2.613 -5.612 -10.425 222 H ARG 31 HN ARG 31 2.586 -12.055 -5.229 223 HA ARG 31 HA ARG 31 2.760 -14.918 -5.272 224 HB2 ARG 31 2HB ARG 31 4.268 -12.897 -4.161 225 HB3 ARG 31 3HB ARG 31 3.479 -13.606 -2.758 226 HG2 ARG 31 2HG ARG 31 4.460 -15.699 -3.122 227 HG3 ARG 31 3HG ARG 31 4.912 -15.293 -4.779 228 HD2 ARG 31 2HD ARG 31 6.882 -14.541 -4.085 229 HD3 ARG 31 3HD ARG 31 6.088 -13.392 -3.008 230 HE ARG 31 HE ARG 31 6.784 -14.707 -1.293 231 HH11 ARG 31 1HH1 ARG 31 6.337 -16.727 -4.093 232 HH12 ARG 31 2HH1 ARG 31 6.823 -18.180 -3.283 233 HH21 ARG 31 1HH2 ARG 31 7.426 -16.613 -0.217 234 HH22 ARG 31 2HH2 ARG 31 7.441 -18.114 -1.079 235 H MET 32 HN MET 32 1.465 -12.656 -2.830 236 HA MET 32 HA MET 32 0.174 -14.526 -1.249 237 HB2 MET 32 2HB MET 32 -0.760 -12.749 -0.147 238 HB3 MET 32 3HB MET 32 0.512 -11.907 -1.021 239 HG2 MET 32 2HG MET 32 -1.289 -10.556 -1.425 240 HG3 MET 32 3HG MET 32 -1.316 -11.601 -2.843 241 HE1 MET 32 1HE MET 32 -2.215 -11.538 0.758 242 HE2 MET 32 2HE MET 32 -3.968 -11.715 0.826 243 HE3 MET 32 3HE MET 32 -2.939 -13.146 0.733 244 H GLY 33 HN GLY 33 -0.577 -13.571 -4.418 245 HA2 GLY 33 1HA GLY 33 -2.190 -14.436 -5.838 246 HA3 GLY 33 2HA GLY 33 -2.865 -15.319 -4.476 247 H TYR 34 HN TYR 34 -2.440 -11.886 -5.356 248 HA TYR 34 HA TYR 34 -5.157 -11.381 -4.376 249 HB2 TYR 34 2HB TYR 34 -2.676 -9.802 -4.539 250 HB3 TYR 34 3HB TYR 34 -4.137 -8.916 -4.966 251 HD1 TYR 34 1HD TYR 34 -6.114 -10.117 -3.142 252 HD2 TYR 34 2HD TYR 34 -2.074 -8.983 -2.443 253 HE1 TYR 34 1HE TYR 34 -6.623 -9.800 -0.757 254 HE2 TYR 34 2HE TYR 34 -2.570 -8.663 -0.055 255 HH TYR 34 HH TYR 34 -4.822 -9.871 1.533 256 H ILE 35 HN ILE 35 -3.081 -10.871 -7.197 257 HA ILE 35 HA ILE 35 -5.504 -10.312 -8.780 258 HB ILE 35 HB ILE 35 -3.531 -9.366 -10.370 259 HG12 ILE 35 2HG1 ILE 35 -2.693 -8.719 -7.535 260 HG13 ILE 35 3HG1 ILE 35 -1.815 -9.771 -8.640 261 HG21 ILE 35 1HG2 ILE 35 -5.488 -8.225 -8.524 262 HG22 ILE 35 2HG2 ILE 35 -4.160 -7.136 -8.923 263 HG23 ILE 35 3HG2 ILE 35 -5.149 -7.827 -10.208 264 HD11 ILE 35 1HD1 ILE 35 -2.244 -7.287 -9.938 265 HD12 ILE 35 2HD1 ILE 35 -1.602 -6.974 -8.325 266 HD13 ILE 35 3HD1 ILE 35 -0.724 -8.027 -9.435 267 H GLN 36 HN GLN 36 -4.713 -10.630 -11.284 268 HA GLN 36 HA GLN 36 -4.378 -13.470 -11.515 269 HB2 GLN 36 2HB GLN 36 -4.827 -11.225 -13.450 270 HB3 GLN 36 3HB GLN 36 -4.350 -12.810 -14.042 271 HG2 GLN 36 2HG GLN 36 -6.330 -13.785 -13.451 272 HG3 GLN 36 3HG GLN 36 -6.641 -12.626 -12.159 273 HE21 GLN 36 1HE2 GLN 36 -8.736 -13.101 -13.604 274 HE22 GLN 36 2HE2 GLN 36 -9.065 -11.849 -14.747 275 H GLY 37 HN GLY 37 -2.522 -10.670 -12.725 276 HA2 GLY 37 1HA GLY 37 -0.046 -10.941 -12.158 277 HA3 GLY 37 2HA GLY 37 -0.200 -12.465 -13.019 278 H ASP 38 HN ASP 38 1.628 -11.337 -14.205 279 HA ASP 38 HA ASP 38 2.416 -10.403 -16.124 280 HB2 ASP 38 2HB ASP 38 0.921 -11.754 -17.360 281 HB3 ASP 38 3HB ASP 38 -0.477 -10.806 -16.861 282 H SER 39 HN SER 39 3.064 -8.383 -16.488 283 HA SER 39 HA SER 39 1.148 -6.183 -16.201 284 HB2 SER 39 2HB SER 39 3.783 -5.521 -15.120 285 HB3 SER 39 3HB SER 39 2.181 -5.216 -14.447 286 HG SER 39 HG SER 39 2.165 -7.338 -13.662 287 H ALA 40 HN ALA 40 3.055 -4.120 -16.461 288 HA ALA 40 HA ALA 40 4.763 -4.541 -18.696 289 HB1 ALA 40 1HB ALA 40 2.706 -2.683 -19.605 290 HB2 ALA 40 2HB ALA 40 3.507 -4.000 -20.464 291 HB3 ALA 40 3HB ALA 40 2.125 -4.338 -19.419 292 H ALA 41 HN ALA 41 5.207 -2.197 -19.733 293 HA ALA 41 HA ALA 41 6.174 -0.165 -19.395 294 HB1 ALA 41 1HB ALA 41 4.715 0.670 -17.047 295 HB2 ALA 41 2HB ALA 41 4.686 1.326 -18.684 296 HB3 ALA 41 3HB ALA 41 3.641 -0.029 -18.258 297 H GLU 42 HN GLU 42 8.199 -0.160 -18.679 298 HA GLU 42 HA GLU 42 8.674 -0.397 -15.800 299 HB2 GLU 42 2HB GLU 42 10.349 -1.862 -17.843 300 HB3 GLU 42 3HB GLU 42 10.520 -1.921 -16.095 301 HG2 GLU 42 2HG GLU 42 7.958 -2.728 -16.368 302 HG3 GLU 42 3HG GLU 42 8.658 -3.343 -17.865 303 H VAL 43 HN VAL 43 8.699 1.730 -17.951 304 HA VAL 43 HA VAL 43 11.291 2.553 -18.553 305 HB VAL 43 HB VAL 43 8.992 4.416 -17.962 306 HG11 VAL 43 1HG1 VAL 43 10.919 5.700 -18.271 307 HG12 VAL 43 2HG1 VAL 43 11.534 4.638 -19.539 308 HG13 VAL 43 3HG1 VAL 43 10.154 5.688 -19.860 309 HG21 VAL 43 1HG2 VAL 43 9.368 2.458 -20.114 310 HG22 VAL 43 2HG2 VAL 43 7.899 3.249 -19.542 311 HG23 VAL 43 3HG2 VAL 43 8.974 4.087 -20.661 312 H THR 44 HN THR 44 9.217 3.781 -15.919 313 HA THR 44 HA THR 44 11.499 3.916 -14.139 314 HB THR 44 HB THR 44 11.545 6.076 -15.430 315 HG1 THR 44 1HG THR 44 12.145 5.690 -13.058 316 HG21 THR 44 1HG2 THR 44 8.969 6.576 -13.932 317 HG22 THR 44 2HG2 THR 44 9.134 6.396 -15.679 318 HG23 THR 44 3HG2 THR 44 9.868 7.775 -14.861 319 H GLU 45 HN GLU 45 10.811 4.779 -11.948 320 HA GLU 45 HA GLU 45 8.001 4.691 -11.332 321 HB2 GLU 45 2HB GLU 45 8.901 2.772 -9.547 322 HB3 GLU 45 3HB GLU 45 7.875 2.491 -10.948 323 HG2 GLU 45 2HG GLU 45 9.626 0.936 -11.103 324 HG3 GLU 45 3HG GLU 45 9.989 2.192 -12.286 325 H MET 46 HN MET 46 7.538 5.697 -9.428 326 HA MET 46 HA MET 46 9.741 6.293 -7.591 327 HB2 MET 46 2HB MET 46 7.982 8.298 -8.981 328 HB3 MET 46 3HB MET 46 8.752 8.669 -7.444 329 HG2 MET 46 2HG MET 46 10.623 7.573 -9.363 330 HG3 MET 46 3HG MET 46 9.826 9.026 -9.961 331 HE1 MET 46 1HE MET 46 9.920 11.367 -7.355 332 HE2 MET 46 2HE MET 46 11.205 11.829 -8.470 333 HE3 MET 46 3HE MET 46 9.737 11.068 -9.084 334 H ALA 47 HN ALA 47 6.384 7.435 -7.885 335 HA ALA 47 HA ALA 47 5.035 5.806 -6.207 336 HB1 ALA 47 1HB ALA 47 6.404 5.939 -4.365 337 HB2 ALA 47 2HB ALA 47 6.808 7.632 -4.653 338 HB3 ALA 47 3HB ALA 47 5.225 7.202 -4.005 339 H HIS 48 HN HIS 48 5.761 9.201 -6.807 340 HA HIS 48 HA HIS 48 2.942 9.699 -7.310 341 HB2 HIS 48 2HB HIS 48 2.547 11.212 -5.651 342 HB3 HIS 48 3HB HIS 48 3.760 10.249 -4.813 343 HD1 HIS 48 1HD HIS 48 2.973 13.637 -5.575 344 HD2 HIS 48 2HD HIS 48 6.493 11.449 -5.282 345 HE1 HIS 48 1HE HIS 48 4.798 15.339 -5.264 346 H THR 49 HN THR 49 2.626 11.144 -8.913 347 HA THR 49 HA THR 49 4.524 13.178 -9.581 348 HB THR 49 HB THR 49 4.400 11.842 -12.045 349 HG1 THR 49 1HG THR 49 3.994 9.869 -11.106 350 HG21 THR 49 1HG2 THR 49 6.229 13.264 -11.182 351 HG22 THR 49 2HG2 THR 49 6.815 11.730 -11.826 352 HG23 THR 49 3HG2 THR 49 6.693 11.966 -10.083 353 H GLU 50 HN GLU 50 3.885 14.252 -11.722 354 HA GLU 50 HA GLU 50 1.338 15.230 -11.605 355 HB2 GLU 50 2HB GLU 50 3.470 15.203 -13.606 356 HB3 GLU 50 3HB GLU 50 1.866 15.349 -14.310 357 HG2 GLU 50 2HG GLU 50 2.362 17.544 -13.994 358 HG3 GLU 50 3HG GLU 50 1.573 17.187 -12.458 359 H THR 51 HN THR 51 2.172 13.268 -14.429 360 HA THR 51 HA THR 51 -0.234 12.532 -15.314 361 HB THR 51 HB THR 51 0.750 10.253 -15.907 362 HG1 THR 51 1HG THR 51 3.290 10.877 -15.463 363 HG21 THR 51 1HG2 THR 51 2.470 12.616 -16.647 364 HG22 THR 51 2HG2 THR 51 0.868 12.329 -17.324 365 HG23 THR 51 3HG2 THR 51 2.162 11.165 -17.600 366 H GLY 52 HN GLY 52 1.473 10.265 -13.151 367 HA2 GLY 52 1HA GLY 52 0.283 9.677 -11.033 368 HA3 GLY 52 2HA GLY 52 -1.164 9.552 -12.022 369 H TRP 53 HN TRP 53 0.134 7.544 -10.320 370 HA TRP 53 HA TRP 53 1.024 5.573 -12.299 371 HB2 TRP 53 2HB TRP 53 2.385 5.979 -10.224 372 HB3 TRP 53 3HB TRP 53 1.046 5.323 -9.287 373 HD1 TRP 53 1HD TRP 53 0.905 2.740 -9.060 374 HE1 TRP 53 1HE TRP 53 2.301 0.773 -9.958 375 HE3 TRP 53 3HE TRP 53 3.820 5.275 -12.410 376 HZ2 TRP 53 2HZ TRP 53 4.366 0.352 -11.837 377 HZ3 TRP 53 3HZ TRP 53 5.481 4.017 -13.717 378 HH2 TRP 53 2HH TRP 53 5.747 1.606 -13.435 379 H SER 54 HN SER 54 -0.109 3.760 -12.765 380 HA SER 54 HA SER 54 -2.875 3.680 -11.987 381 HB2 SER 54 2HB SER 54 -2.109 1.291 -13.355 382 HB3 SER 54 3HB SER 54 -3.063 2.645 -13.963 383 HG SER 54 HG SER 54 -0.381 2.049 -14.326 384 H CYS 55 HN CYS 55 -3.938 1.972 -10.916 385 HA CYS 55 HA CYS 55 -2.416 -0.124 -9.652 386 HB2 CYS 55 2HB CYS 55 -3.894 1.384 -7.610 387 HB3 CYS 55 3HB CYS 55 -2.298 0.644 -7.531 388 H HIS 56 HN HIS 56 -3.730 -1.738 -8.704 389 HA HIS 56 HA HIS 56 -6.043 -2.407 -9.979 390 HB2 HIS 56 2HB HIS 56 -4.822 -3.972 -8.558 391 HB3 HIS 56 3HB HIS 56 -5.299 -3.071 -7.122 392 HD1 HIS 56 1HD HIS 56 -8.120 -3.222 -9.343 393 HD2 HIS 56 2HD HIS 56 -6.397 -5.789 -6.568 394 HE1 HIS 56 1HE HIS 56 -9.898 -4.915 -8.799 395 H TYR 57 HN TYR 57 -5.905 -0.914 -6.741 396 HA TYR 57 HA TYR 57 -8.725 -0.421 -6.697 397 HB2 TYR 57 2HB TYR 57 -6.430 0.345 -4.911 398 HB3 TYR 57 3HB TYR 57 -8.037 1.018 -4.657 399 HD1 TYR 57 1HD TYR 57 -9.488 -0.098 -3.246 400 HD2 TYR 57 2HD TYR 57 -6.356 -2.287 -5.118 401 HE1 TYR 57 1HE TYR 57 -10.129 -2.098 -1.966 402 HE2 TYR 57 2HE TYR 57 -6.990 -4.293 -3.844 403 HH TYR 57 HH TYR 57 -9.838 -4.711 -2.367 404 H CYS 58 HN CYS 58 -6.256 1.041 -8.335 405 HA CYS 58 HA CYS 58 -7.033 3.787 -8.036 406 HB2 CYS 58 2HB CYS 58 -4.839 2.421 -9.122 407 HB3 CYS 58 3HB CYS 58 -5.595 3.239 -10.486 408 H ASP 59 HN ASP 59 -7.117 1.625 -10.874 409 HA ASP 59 HA ASP 59 -8.502 1.540 -12.678 410 HB2 ASP 59 2HB ASP 59 -10.163 1.744 -10.341 411 HB3 ASP 59 3HB ASP 59 -10.934 2.582 -11.685 412 H ASN 60 HN ASN 60 -7.995 2.945 -14.230 413 HA ASN 60 HA ASN 60 -8.857 5.746 -13.907 414 HB2 ASN 60 2HB ASN 60 -6.971 5.597 -16.000 415 HB3 ASN 60 3HB ASN 60 -6.751 6.314 -14.406 416 HD21 ASN 60 1HD2 ASN 60 -6.914 3.042 -15.782 417 HD22 ASN 60 2HD2 ASN 60 -5.501 2.454 -14.980
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