NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
279497 | 2knv | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 18.156 19.216 -2.791 2 H2 GLY 1 2HT GLY 1 18.583 19.813 -4.315 3 H3 GLY 1 3HT GLY 1 19.780 19.472 -3.176 4 HA2 GLY 1 1HA GLY 1 17.972 17.432 -4.341 5 HA3 GLY 1 2HA GLY 1 19.586 17.775 -4.948 6 H SER 2 H SER 2 21.080 16.425 -4.261 7 HA SER 2 HA SER 2 20.699 15.118 -1.659 8 HB2 SER 2 2HB SER 2 22.472 14.135 -3.893 9 HB3 SER 2 1HB SER 2 21.903 13.236 -2.487 10 HG SER 2 HG SER 2 20.727 12.724 -4.388 11 HA PRO 3 HA PRO 3 24.329 17.657 -0.746 12 HB2 PRO 3 2HB PRO 3 23.997 17.718 1.919 13 HB3 PRO 3 1HB PRO 3 22.990 18.695 0.842 14 HG2 PRO 3 2HG PRO 3 22.367 16.092 2.185 15 HG3 PRO 3 1HG PRO 3 21.338 17.522 1.983 16 HD2 PRO 3 2HD PRO 3 21.194 15.290 0.389 17 HD3 PRO 3 1HD PRO 3 20.699 16.912 -0.131 18 HA PRO 4 HA PRO 4 27.271 14.532 0.381 19 HB2 PRO 4 2HB PRO 4 28.728 16.461 2.050 20 HB3 PRO 4 1HB PRO 4 29.244 15.652 0.569 21 HG2 PRO 4 2HG PRO 4 28.672 18.277 0.627 22 HG3 PRO 4 1HG PRO 4 28.324 17.272 -0.790 23 HD2 PRO 4 2HD PRO 4 26.467 18.243 1.350 24 HD3 PRO 4 1HD PRO 4 26.210 18.146 -0.406 25 H GLU 5 H GLU 5 25.359 16.092 2.662 26 HA GLU 5 HA GLU 5 26.393 14.714 4.986 27 HB2 GLU 5 2HB GLU 5 23.753 16.148 4.906 28 HB3 GLU 5 1HB GLU 5 24.863 15.961 6.253 29 HG2 GLU 5 2HG GLU 5 25.176 17.764 3.871 30 HG3 GLU 5 1HG GLU 5 24.908 18.230 5.548 31 H ALA 6 H ALA 6 24.435 13.941 2.408 32 HA ALA 6 HA ALA 6 22.679 12.147 3.891 33 HB1 ALA 6 1HB ALA 6 22.844 12.699 0.928 34 HB2 ALA 6 2HB ALA 6 21.718 13.454 2.058 35 HB3 ALA 6 3HB ALA 6 21.613 11.725 1.734 36 H ASP 7 H ASP 7 23.014 10.016 4.074 37 HA ASP 7 HA ASP 7 25.509 8.896 3.319 38 HB2 ASP 7 2HB ASP 7 24.109 8.214 5.320 39 HB3 ASP 7 1HB ASP 7 23.054 7.367 4.191 40 HA PRO 8 HA PRO 8 24.530 7.833 -0.882 41 HB2 PRO 8 2HB PRO 8 26.575 6.037 -1.236 42 HB3 PRO 8 1HB PRO 8 26.757 7.789 -1.345 43 HG2 PRO 8 2HG PRO 8 27.372 5.962 0.942 44 HG3 PRO 8 1HG PRO 8 28.303 7.340 0.326 45 HD2 PRO 8 2HD PRO 8 26.772 7.538 2.524 46 HD3 PRO 8 1HD PRO 8 26.944 8.890 1.386 47 H ARG 9 H ARG 9 24.831 5.469 1.689 48 HA ARG 9 HA ARG 9 23.718 3.346 0.042 49 HB2 ARG 9 2HB ARG 9 24.358 3.401 2.997 50 HB3 ARG 9 1HB ARG 9 23.873 1.979 2.083 51 HG2 ARG 9 2HG ARG 9 25.893 1.829 0.987 52 HG3 ARG 9 1HG ARG 9 26.271 3.538 1.240 53 HD2 ARG 9 2HD ARG 9 26.159 1.460 3.423 54 HD3 ARG 9 1HD ARG 9 27.639 1.998 2.629 55 HE ARG 9 HE ARG 9 26.201 4.214 3.664 56 HH11 ARG 9 1HH1 ARG 9 28.166 1.504 4.698 57 HH12 ARG 9 2HH1 ARG 9 28.783 2.325 6.097 58 HH21 ARG 9 1HH2 ARG 9 27.015 5.298 5.499 59 HH22 ARG 9 2HH2 ARG 9 28.141 4.478 6.548 60 H LEU 10 H LEU 10 22.706 5.690 2.383 61 HA LEU 10 HA LEU 10 20.221 4.523 3.080 62 HB2 LEU 10 2HB LEU 10 21.322 6.268 4.421 63 HB3 LEU 10 1HB LEU 10 21.078 7.418 3.123 64 HG LEU 10 HG LEU 10 18.605 7.118 3.418 65 HD11 LEU 10 1HD1 LEU 10 17.840 6.147 5.545 66 HD12 LEU 10 2HD1 LEU 10 19.485 5.601 5.872 67 HD13 LEU 10 3HD1 LEU 10 18.596 4.951 4.494 68 HD21 LEU 10 3HD2 LEU 10 20.157 8.094 5.814 69 HD22 LEU 10 1HD2 LEU 10 18.486 8.505 5.428 70 HD23 LEU 10 2HD2 LEU 10 19.791 9.028 4.363 71 H ILE 11 H ILE 11 21.183 6.881 0.613 72 HA ILE 11 HA ILE 11 18.519 7.287 -0.333 73 HB ILE 11 HB ILE 11 20.296 8.975 -0.642 74 HG12 ILE 11 2HG1 ILE 11 19.227 8.017 -3.301 75 HG13 ILE 11 1HG1 ILE 11 18.247 8.851 -2.101 76 HG21 ILE 11 1HG2 ILE 11 21.959 8.686 -2.432 77 HG22 ILE 11 2HG2 ILE 11 21.428 7.018 -2.634 78 HG23 ILE 11 3HG2 ILE 11 22.174 7.527 -1.121 79 HD11 ILE 11 3HD1 ILE 11 19.674 10.809 -2.279 80 HD12 ILE 11 1HD1 ILE 11 19.021 10.356 -3.853 81 HD13 ILE 11 2HD1 ILE 11 20.694 9.972 -3.448 82 H GLU 12 H GLU 12 21.026 4.976 -0.994 83 HA GLU 12 HA GLU 12 20.071 4.100 -3.518 84 HB2 GLU 12 2HB GLU 12 22.030 3.128 -1.514 85 HB3 GLU 12 1HB GLU 12 21.400 1.941 -2.651 86 HG2 GLU 12 2HG GLU 12 22.594 4.562 -3.508 87 HG3 GLU 12 1HG GLU 12 23.534 3.082 -3.323 88 H SER 13 H SER 13 18.856 3.695 -0.381 89 HA SER 13 HA SER 13 17.697 1.110 -0.696 90 HB2 SER 13 2HB SER 13 16.828 3.342 1.158 91 HB3 SER 13 1HB SER 13 16.442 1.629 1.322 92 HG SER 13 HG SER 13 19.136 2.188 1.130 93 H LEU 14 H LEU 14 16.865 4.300 -1.709 94 HA LEU 14 HA LEU 14 14.087 3.715 -2.217 95 HB2 LEU 14 2HB LEU 14 15.847 6.047 -2.979 96 HB3 LEU 14 1HB LEU 14 14.159 5.931 -3.437 97 HG LEU 14 HG LEU 14 13.966 5.573 -0.755 98 HD11 LEU 14 1HD1 LEU 14 15.400 7.242 0.323 99 HD12 LEU 14 2HD1 LEU 14 16.246 7.495 -1.205 100 HD13 LEU 14 3HD1 LEU 14 16.344 5.934 -0.388 101 HD21 LEU 14 3HD2 LEU 14 14.018 8.203 -2.228 102 HD22 LEU 14 1HD2 LEU 14 13.240 7.903 -0.674 103 HD23 LEU 14 2HD2 LEU 14 12.648 7.100 -2.128 104 H SER 15 H SER 15 17.026 4.166 -4.145 105 HA SER 15 HA SER 15 15.863 3.738 -6.669 106 HB2 SER 15 2HB SER 15 18.521 2.902 -6.841 107 HB3 SER 15 1HB SER 15 17.914 4.533 -7.132 108 HG SER 15 HG SER 15 19.654 4.101 -5.431 109 H GLN 16 H GLN 16 17.123 1.550 -4.240 110 HA GLN 16 HA GLN 16 17.313 -0.772 -5.811 111 HB2 GLN 16 2HB GLN 16 18.324 -0.567 -3.581 112 HB3 GLN 16 1HB GLN 16 16.722 -0.522 -2.857 113 HG2 GLN 16 2HG GLN 16 17.642 -2.710 -2.581 114 HG3 GLN 16 1HG GLN 16 16.310 -2.799 -3.729 115 HE21 GLN 16 1HE2 GLN 16 16.752 -3.213 -5.910 116 HE22 GLN 16 2HE2 GLN 16 18.283 -3.826 -6.431 117 H MET 17 H MET 17 14.638 0.688 -4.074 118 HA MET 17 HA MET 17 12.828 -1.472 -4.322 119 HB2 MET 17 2HB MET 17 12.362 1.491 -3.949 120 HB3 MET 17 1HB MET 17 11.081 0.288 -3.888 121 HG2 MET 17 2HG MET 17 13.481 0.297 -2.079 122 HG3 MET 17 1HG MET 17 11.926 1.014 -1.669 123 HE1 MET 17 3HE MET 17 9.937 -0.201 -0.810 124 HE2 MET 17 1HE MET 17 9.601 -1.915 -1.045 125 HE3 MET 17 2HE MET 17 9.657 -0.827 -2.433 126 H LEU 18 H LEU 18 13.475 1.377 -6.310 127 HA LEU 18 HA LEU 18 11.378 1.024 -8.141 128 HB2 LEU 18 2HB LEU 18 12.889 3.051 -7.814 129 HB3 LEU 18 1HB LEU 18 14.059 2.217 -8.817 130 HG LEU 18 HG LEU 18 12.426 2.194 -10.673 131 HD11 LEU 18 1HD1 LEU 18 10.729 3.749 -8.736 132 HD12 LEU 18 2HD1 LEU 18 10.349 2.204 -9.496 133 HD13 LEU 18 3HD1 LEU 18 10.431 3.670 -10.472 134 HD21 LEU 18 3HD2 LEU 18 14.054 3.991 -10.533 135 HD22 LEU 18 1HD2 LEU 18 12.971 4.914 -9.490 136 HD23 LEU 18 2HD2 LEU 18 12.524 4.597 -11.168 137 H SER 19 H SER 19 14.680 -0.244 -8.108 138 HA SER 19 HA SER 19 14.506 -1.477 -10.674 139 HB2 SER 19 2HB SER 19 16.438 -1.510 -8.411 140 HB3 SER 19 1HB SER 19 16.507 -2.850 -9.555 141 HG SER 19 HG SER 19 17.445 -1.563 -10.907 142 H MET 20 H MET 20 13.432 -2.352 -7.529 143 HA MET 20 HA MET 20 13.371 -5.181 -7.977 144 HB2 MET 20 2HB MET 20 12.684 -3.354 -5.809 145 HB3 MET 20 1HB MET 20 11.523 -4.661 -5.979 146 HG2 MET 20 2HG MET 20 14.494 -4.971 -5.616 147 HG3 MET 20 1HG MET 20 13.258 -5.233 -4.388 148 HE1 MET 20 3HE MET 20 10.935 -6.754 -5.920 149 HE2 MET 20 1HE MET 20 11.584 -7.226 -4.347 150 HE3 MET 20 2HE MET 20 11.424 -8.423 -5.632 151 H GLY 21 H GLY 21 11.392 -2.539 -8.827 152 HA2 GLY 21 2HA GLY 21 9.739 -2.909 -10.567 153 HA3 GLY 21 1HA GLY 21 9.336 -4.429 -9.775 154 H PHE 22 H PHE 22 9.951 -1.767 -7.729 155 HA PHE 22 HA PHE 22 7.111 -1.640 -7.043 156 HB2 PHE 22 2HB PHE 22 9.416 -1.788 -5.484 157 HB3 PHE 22 1HB PHE 22 8.930 -0.104 -5.357 158 HD1 PHE 22 2HD PHE 22 6.568 0.405 -4.588 159 HD2 PHE 22 1HD PHE 22 8.349 -3.445 -4.259 160 HE1 PHE 22 2HE PHE 22 4.908 -0.211 -2.884 161 HE2 PHE 22 1HE PHE 22 6.694 -4.070 -2.550 162 HZ PHE 22 HZ PHE 22 4.969 -2.454 -1.859 163 H SER 23 H SER 23 5.941 0.014 -7.701 164 HA SER 23 HA SER 23 7.244 2.594 -8.158 165 HB2 SER 23 2HB SER 23 5.466 2.699 -10.140 166 HB3 SER 23 1HB SER 23 7.075 2.010 -10.369 167 HG SER 23 HG SER 23 4.667 0.592 -9.844 168 H ASP 24 H ASP 24 5.813 4.415 -8.021 169 HA ASP 24 HA ASP 24 3.312 3.826 -6.577 170 HB2 ASP 24 2HB ASP 24 3.677 5.953 -5.329 171 HB3 ASP 24 1HB ASP 24 4.891 4.723 -4.997 172 H GLU 25 H GLU 25 1.525 5.049 -7.030 173 HA GLU 25 HA GLU 25 1.688 6.572 -9.526 174 HB2 GLU 25 2HB GLU 25 -0.991 6.378 -8.951 175 HB3 GLU 25 1HB GLU 25 -0.096 5.293 -10.003 176 HG2 GLU 25 2HG GLU 25 -1.416 3.998 -8.476 177 HG3 GLU 25 1HG GLU 25 0.289 3.790 -8.078 178 H GLY 26 H GLY 26 0.252 6.766 -6.281 179 HA2 GLY 26 2HA GLY 26 -0.134 9.659 -6.615 180 HA3 GLY 26 1HA GLY 26 -0.773 8.666 -5.312 181 H GLY 27 H GLY 27 2.194 7.564 -5.540 182 HA2 GLY 27 2HA GLY 27 4.294 8.253 -4.717 183 HA3 GLY 27 1HA GLY 27 3.541 9.709 -4.081 184 H TRP 28 H TRP 28 2.166 6.535 -3.541 185 HA TRP 28 HA TRP 28 2.239 6.952 -0.722 186 HB2 TRP 28 2HB TRP 28 1.031 4.923 -0.511 187 HB3 TRP 28 1HB TRP 28 0.425 5.711 -1.960 188 HD1 TRP 28 HD TRP 28 1.489 4.641 -4.354 189 HE1 TRP 28 1HE TRP 28 1.928 2.167 -4.907 190 HE3 TRP 28 3HE TRP 28 1.613 2.755 0.394 191 HZ2 TRP 28 2HZ TRP 28 2.271 -0.270 -3.511 192 HZ3 TRP 28 3HZ TRP 28 1.998 0.349 0.700 193 HH2 TRP 28 HH TRP 28 2.322 -1.134 -1.214 194 H LEU 29 H LEU 29 4.378 5.475 -2.959 195 HA LEU 29 HA LEU 29 5.655 3.616 -1.282 196 HB2 LEU 29 2HB LEU 29 5.981 3.594 -3.679 197 HB3 LEU 29 1HB LEU 29 6.718 5.181 -3.633 198 HG LEU 29 HG LEU 29 8.625 4.270 -2.381 199 HD11 LEU 29 1HD1 LEU 29 8.795 1.723 -2.354 200 HD12 LEU 29 2HD1 LEU 29 7.042 1.727 -2.559 201 HD13 LEU 29 3HD1 LEU 29 7.767 2.489 -1.142 202 HD21 LEU 29 3HD2 LEU 29 8.038 2.684 -4.879 203 HD22 LEU 29 1HD2 LEU 29 9.626 3.034 -4.194 204 HD23 LEU 29 2HD2 LEU 29 8.641 4.341 -4.847 205 H THR 30 H THR 30 6.575 6.990 -2.052 206 HA THR 30 HA THR 30 8.766 7.049 -0.286 207 HB THR 30 HB THR 30 8.608 8.697 -2.046 208 HG1 THR 30 1HG THR 30 9.199 9.246 0.449 209 HG21 THR 30 3HG2 THR 30 6.257 9.889 -0.577 210 HG22 THR 30 1HG2 THR 30 6.125 8.908 -2.037 211 HG23 THR 30 2HG2 THR 30 6.970 10.455 -2.088 212 H ARG 31 H ARG 31 5.349 7.538 0.221 213 HA ARG 31 HA ARG 31 5.585 8.780 2.784 214 HB2 ARG 31 2HB ARG 31 3.240 7.255 1.623 215 HB3 ARG 31 1HB ARG 31 3.187 8.333 3.010 216 HG2 ARG 31 2HG ARG 31 4.116 9.358 0.364 217 HG3 ARG 31 1HG ARG 31 2.392 9.172 0.687 218 HD2 ARG 31 2HD ARG 31 4.164 10.638 2.610 219 HD3 ARG 31 1HD ARG 31 3.532 11.445 1.175 220 HE ARG 31 HE ARG 31 1.714 10.137 3.089 221 HH11 ARG 31 1HH1 ARG 31 2.734 12.999 1.333 222 HH12 ARG 31 2HH1 ARG 31 1.374 13.941 1.848 223 HH21 ARG 31 1HH2 ARG 31 -0.079 11.380 3.732 224 HH22 ARG 31 2HH2 ARG 31 -0.214 13.031 3.207 225 H LEU 32 H LEU 32 5.094 5.492 1.617 226 HA LEU 32 HA LEU 32 4.773 4.234 4.120 227 HB2 LEU 32 2HB LEU 32 4.420 3.417 1.626 228 HB3 LEU 32 1HB LEU 32 6.061 2.826 1.817 229 HG LEU 32 HG LEU 32 5.151 1.670 3.952 230 HD11 LEU 32 1HD1 LEU 32 3.021 2.766 4.088 231 HD12 LEU 32 2HD1 LEU 32 2.753 1.061 3.718 232 HD13 LEU 32 3HD1 LEU 32 2.611 2.274 2.445 233 HD21 LEU 32 3HD2 LEU 32 4.516 -0.277 2.656 234 HD22 LEU 32 1HD2 LEU 32 5.895 0.529 1.907 235 HD23 LEU 32 2HD2 LEU 32 4.282 0.727 1.222 236 H LEU 33 H LEU 33 7.577 5.134 2.230 237 HA LEU 33 HA LEU 33 9.494 3.642 3.715 238 HB2 LEU 33 2HB LEU 33 9.777 6.063 1.949 239 HB3 LEU 33 1HB LEU 33 11.130 5.161 2.604 240 HG LEU 33 HG LEU 33 9.047 4.033 0.726 241 HD11 LEU 33 1HD1 LEU 33 10.823 4.101 -0.956 242 HD12 LEU 33 2HD1 LEU 33 11.879 4.923 0.193 243 HD13 LEU 33 3HD1 LEU 33 10.410 5.715 -0.378 244 HD21 LEU 33 3HD2 LEU 33 10.020 2.328 2.165 245 HD22 LEU 33 1HD2 LEU 33 11.643 2.876 1.748 246 HD23 LEU 33 2HD2 LEU 33 10.612 2.150 0.514 247 H GLN 34 H GLN 34 7.759 6.479 4.378 248 HA GLN 34 HA GLN 34 9.781 7.465 6.240 249 HB2 GLN 34 2HB GLN 34 7.191 8.621 5.232 250 HB3 GLN 34 1HB GLN 34 8.080 9.336 6.571 251 HG2 GLN 34 2HG GLN 34 9.118 8.938 3.769 252 HG3 GLN 34 1HG GLN 34 8.580 10.460 4.473 253 HE21 GLN 34 1HE2 GLN 34 11.064 8.021 4.484 254 HE22 GLN 34 2HE2 GLN 34 12.258 8.959 5.313 255 H THR 35 H THR 35 6.896 5.609 6.204 256 HA THR 35 HA THR 35 6.499 5.996 9.073 257 HB THR 35 HB THR 35 4.472 4.511 8.688 258 HG1 THR 35 1HG THR 35 3.827 4.149 6.598 259 HG21 THR 35 3HG2 THR 35 4.706 7.170 7.287 260 HG22 THR 35 1HG2 THR 35 4.194 6.872 8.947 261 HG23 THR 35 2HG2 THR 35 3.177 6.351 7.603 262 H LYS 36 H LYS 36 7.171 3.447 6.708 263 HA LYS 36 HA LYS 36 7.780 1.609 8.918 264 HB2 LYS 36 2HB LYS 36 6.751 1.299 6.183 265 HB3 LYS 36 1HB LYS 36 7.947 0.097 6.650 266 HG2 LYS 36 2HG LYS 36 6.596 -0.834 8.243 267 HG3 LYS 36 1HG LYS 36 5.727 0.675 8.539 268 HD2 LYS 36 2HD LYS 36 5.475 -0.776 5.928 269 HD3 LYS 36 1HD LYS 36 4.496 -1.236 7.324 270 HE2 LYS 36 2HE LYS 36 4.633 1.559 6.208 271 HE3 LYS 36 1HE LYS 36 3.404 0.379 5.754 272 HZ1 LYS 36 3HZ LYS 36 2.535 0.379 7.922 273 HZ2 LYS 36 1HZ LYS 36 2.788 2.013 7.554 274 HZ3 LYS 36 2HZ LYS 36 3.868 1.188 8.564 275 H ASN 37 H ASN 37 9.432 3.844 7.506 276 HA ASN 37 HA ASN 37 11.635 4.283 7.176 277 HB2 ASN 37 2HB ASN 37 11.856 2.757 9.216 278 HB3 ASN 37 1HB ASN 37 12.256 1.470 8.084 279 HD21 ASN 37 1HD2 ASN 37 14.332 1.147 8.654 280 HD22 ASN 37 2HD2 ASN 37 15.584 2.333 8.480 281 H TYR 38 H TYR 38 13.713 3.134 6.066 282 HA TYR 38 HA TYR 38 12.772 2.380 3.421 283 HB2 TYR 38 2HB TYR 38 15.564 2.940 4.445 284 HB3 TYR 38 1HB TYR 38 15.139 2.661 2.763 285 HD1 TYR 38 1HD TYR 38 13.428 4.299 1.720 286 HD2 TYR 38 2HD TYR 38 15.579 5.101 5.299 287 HE1 TYR 38 1HE TYR 38 13.014 6.705 1.422 288 HE2 TYR 38 2HE TYR 38 15.181 7.506 5.007 289 HH TYR 38 HH TYR 38 14.475 9.096 3.578 290 H ASP 39 H ASP 39 12.618 0.543 5.745 291 HA ASP 39 HA ASP 39 14.599 -1.486 5.324 292 HB2 ASP 39 2HB ASP 39 12.358 -1.032 7.168 293 HB3 ASP 39 1HB ASP 39 12.597 -2.718 6.727 294 H ILE 40 H ILE 40 14.538 -2.241 3.298 295 HA ILE 40 HA ILE 40 12.304 -2.751 1.714 296 HB ILE 40 HB ILE 40 14.936 -4.232 1.635 297 HG12 ILE 40 2HG1 ILE 40 14.176 -1.726 0.123 298 HG13 ILE 40 1HG1 ILE 40 15.107 -1.709 1.615 299 HG21 ILE 40 1HG2 ILE 40 13.191 -5.268 0.278 300 HG22 ILE 40 2HG2 ILE 40 14.433 -4.538 -0.740 301 HG23 ILE 40 3HG2 ILE 40 12.884 -3.725 -0.520 302 HD11 ILE 40 3HD1 ILE 40 15.928 -3.072 -0.939 303 HD12 ILE 40 1HD1 ILE 40 16.877 -2.986 0.545 304 HD13 ILE 40 2HD1 ILE 40 16.524 -1.516 -0.365 305 H GLY 41 H GLY 41 14.000 -4.830 4.013 306 HA2 GLY 41 2HA GLY 41 12.660 -7.236 3.400 307 HA3 GLY 41 1HA GLY 41 13.479 -6.876 4.911 308 H ALA 42 H ALA 42 11.680 -4.477 5.278 309 HA ALA 42 HA ALA 42 9.511 -5.957 6.545 310 HB1 ALA 42 1HB ALA 42 9.028 -3.870 7.716 311 HB2 ALA 42 2HB ALA 42 10.238 -3.034 6.743 312 HB3 ALA 42 3HB ALA 42 10.734 -4.297 7.870 313 H ALA 43 H ALA 43 9.989 -3.363 4.192 314 HA ALA 43 HA ALA 43 7.285 -2.762 3.723 315 HB1 ALA 43 1HB ALA 43 9.619 -2.479 1.839 316 HB2 ALA 43 2HB ALA 43 9.134 -1.302 3.059 317 HB3 ALA 43 3HB ALA 43 8.064 -1.658 1.702 318 H LEU 44 H LEU 44 9.445 -5.115 2.205 319 HA LEU 44 HA LEU 44 7.717 -5.883 0.114 320 HB2 LEU 44 2HB LEU 44 10.251 -6.400 0.577 321 HB3 LEU 44 1HB LEU 44 9.615 -7.818 1.385 322 HG LEU 44 HG LEU 44 8.426 -8.380 -0.776 323 HD11 LEU 44 1HD1 LEU 44 9.365 -7.360 -2.816 324 HD12 LEU 44 2HD1 LEU 44 10.237 -6.205 -1.809 325 HD13 LEU 44 3HD1 LEU 44 8.472 -6.206 -1.828 326 HD21 LEU 44 3HD2 LEU 44 10.409 -9.575 -0.121 327 HD22 LEU 44 1HD2 LEU 44 11.436 -8.274 -0.715 328 HD23 LEU 44 2HD2 LEU 44 10.493 -9.237 -1.849 329 H ASP 45 H ASP 45 7.991 -6.887 3.450 330 HA ASP 45 HA ASP 45 6.254 -9.154 3.209 331 HB2 ASP 45 2HB ASP 45 7.960 -9.082 4.946 332 HB3 ASP 45 1HB ASP 45 7.233 -7.633 5.636 333 H THR 46 H THR 46 5.850 -5.759 3.771 334 HA THR 46 HA THR 46 3.396 -5.730 5.121 335 HB THR 46 HB THR 46 4.240 -3.671 3.080 336 HG1 THR 46 1HG THR 46 5.576 -4.480 5.267 337 HG21 THR 46 3HG2 THR 46 3.070 -2.122 4.554 338 HG22 THR 46 1HG2 THR 46 2.709 -3.436 5.675 339 HG23 THR 46 2HG2 THR 46 1.992 -3.428 4.064 340 H ILE 47 H ILE 47 4.123 -6.204 1.714 341 HA ILE 47 HA ILE 47 1.231 -6.251 1.164 342 HB ILE 47 HB ILE 47 1.758 -5.974 -1.197 343 HG12 ILE 47 2HG1 ILE 47 4.644 -5.552 -0.452 344 HG13 ILE 47 1HG1 ILE 47 4.044 -7.143 -0.920 345 HG21 ILE 47 1HG2 ILE 47 3.161 -3.933 0.527 346 HG22 ILE 47 2HG2 ILE 47 1.429 -3.991 0.208 347 HG23 ILE 47 3HG2 ILE 47 2.557 -3.675 -1.110 348 HD11 ILE 47 3HD1 ILE 47 3.986 -4.637 -2.581 349 HD12 ILE 47 1HD1 ILE 47 3.287 -6.186 -3.052 350 HD13 ILE 47 2HD1 ILE 47 5.028 -6.041 -2.817 351 H GLN 48 H GLN 48 3.375 -8.353 2.121 352 HA GLN 48 HA GLN 48 3.478 -10.618 2.136 353 HB2 GLN 48 2HB GLN 48 0.888 -10.140 1.257 354 HB3 GLN 48 1HB GLN 48 1.541 -11.247 0.060 355 HG2 GLN 48 2HG GLN 48 1.744 -11.790 3.000 356 HG3 GLN 48 1HG GLN 48 0.331 -12.251 2.051 357 HE21 GLN 48 1HE2 GLN 48 3.657 -12.905 2.742 358 HE22 GLN 48 2HE2 GLN 48 3.766 -14.373 1.836 359 H TYR 49 H TYR 49 3.023 -9.367 -1.165 360 HA TYR 49 HA TYR 49 4.243 -11.396 -2.600 361 HB2 TYR 49 2HB TYR 49 4.198 -8.425 -3.134 362 HB3 TYR 49 1HB TYR 49 4.743 -9.620 -4.302 363 HD1 TYR 49 2HD TYR 49 3.070 -11.397 -5.056 364 HD2 TYR 49 1HD TYR 49 1.919 -7.892 -2.937 365 HE1 TYR 49 2HE TYR 49 0.760 -11.681 -5.846 366 HE2 TYR 49 1HE TYR 49 -0.392 -8.168 -3.720 367 HH TYR 49 HH TYR 49 -1.795 -9.358 -4.949 368 H SER 50 H SER 50 6.100 -12.265 -1.862 369 HA SER 50 HA SER 50 8.416 -10.471 -1.573 370 HB2 SER 50 2HB SER 50 8.238 -13.303 -0.546 371 HB3 SER 50 1HB SER 50 9.381 -12.044 -0.076 372 HG SER 50 HG SER 50 6.664 -11.515 0.284 373 H LYS 51 H LYS 51 7.148 -13.313 -3.152 374 HA LYS 51 HA LYS 51 9.581 -13.441 -4.804 375 HB2 LYS 51 2HB LYS 51 7.700 -15.632 -3.936 376 HB3 LYS 51 1HB LYS 51 8.804 -15.825 -5.290 377 HG2 LYS 51 2HG LYS 51 10.670 -15.242 -3.693 378 HG3 LYS 51 1HG LYS 51 9.483 -15.402 -2.397 379 HD2 LYS 51 2HD LYS 51 10.540 -17.498 -2.524 380 HD3 LYS 51 1HD LYS 51 8.993 -17.713 -3.344 381 HE2 LYS 51 2HE LYS 51 10.110 -17.412 -5.508 382 HE3 LYS 51 1HE LYS 51 11.654 -17.219 -4.680 383 HZ1 LYS 51 3HZ LYS 51 11.437 -19.458 -5.473 384 HZ2 LYS 51 1HZ LYS 51 9.955 -19.653 -4.681 385 HZ3 LYS 51 2HZ LYS 51 11.376 -19.472 -3.785 386 H HIS 52 H HIS 52 6.099 -14.219 -4.933 387 HA HIS 52 HA HIS 52 5.760 -12.695 -7.337 388 HB2 HIS 52 2HB HIS 52 6.754 -14.921 -8.082 389 HB3 HIS 52 1HB HIS 52 5.257 -15.664 -7.527 390 HD1 HIS 52 1HD HIS 52 5.814 -12.516 -9.604 391 HD2 HIS 52 2HD HIS 52 3.866 -16.188 -9.787 392 HE1 HIS 52 1HE HIS 52 4.556 -12.510 -11.780 393 HE2 HIS 52 2HE HIS 52 3.559 -14.814 -11.955 394 H1 GLY 1 1HT GLY 1 -19.839 19.973 2.386 395 H2 GLY 1 2HT GLY 1 -18.347 19.809 1.613 396 H3 GLY 1 3HT GLY 1 -18.422 20.474 3.164 397 HA2 GLY 1 1HA GLY 1 -17.630 18.228 3.309 398 HA3 GLY 1 2HA GLY 1 -19.220 18.359 4.044 399 H SER 2 H SER 2 -20.725 16.949 3.402 400 HA SER 2 HA SER 2 -20.159 15.376 0.983 401 HB2 SER 2 2HB SER 2 -22.130 14.540 3.086 402 HB3 SER 2 1HB SER 2 -21.184 13.534 1.989 403 HG SER 2 HG SER 2 -20.379 14.837 4.354 404 HA PRO 3 HA PRO 3 -23.691 17.844 -0.472 405 HB2 PRO 3 2HB PRO 3 -22.918 16.743 -3.082 406 HB3 PRO 3 1HB PRO 3 -23.026 18.428 -2.568 407 HG2 PRO 3 2HG PRO 3 -20.661 17.225 -3.028 408 HG3 PRO 3 1HG PRO 3 -20.862 18.467 -1.778 409 HD2 PRO 3 2HD PRO 3 -20.734 15.487 -1.486 410 HD3 PRO 3 1HD PRO 3 -19.996 16.753 -0.481 411 HA PRO 4 HA PRO 4 -26.653 14.517 -0.611 412 HB2 PRO 4 2HB PRO 4 -28.363 16.395 -2.121 413 HB3 PRO 4 1HB PRO 4 -28.667 15.583 -0.582 414 HG2 PRO 4 2HG PRO 4 -28.130 18.198 -0.686 415 HG3 PRO 4 1HG PRO 4 -27.526 17.184 0.639 416 HD2 PRO 4 2HD PRO 4 -26.078 18.222 -1.775 417 HD3 PRO 4 1HD PRO 4 -25.522 18.093 -0.094 418 H GLU 5 H GLU 5 -25.157 15.849 -3.307 419 HA GLU 5 HA GLU 5 -26.621 14.303 -5.272 420 HB2 GLU 5 2HB GLU 5 -24.369 16.273 -5.382 421 HB3 GLU 5 1HB GLU 5 -24.660 15.213 -6.754 422 HG2 GLU 5 2HG GLU 5 -26.553 17.218 -5.565 423 HG3 GLU 5 1HG GLU 5 -25.764 17.292 -7.139 424 H ALA 6 H ALA 6 -24.182 13.693 -3.069 425 HA ALA 6 HA ALA 6 -22.727 11.797 -4.731 426 HB1 ALA 6 1HB ALA 6 -22.402 12.451 -1.803 427 HB2 ALA 6 2HB ALA 6 -21.495 13.189 -3.126 428 HB3 ALA 6 3HB ALA 6 -21.311 11.469 -2.781 429 H ASP 7 H ASP 7 -22.899 9.597 -4.595 430 HA ASP 7 HA ASP 7 -25.300 8.488 -3.584 431 HB2 ASP 7 2HB ASP 7 -23.880 7.609 -5.524 432 HB3 ASP 7 1HB ASP 7 -22.835 6.905 -4.295 433 HA PRO 8 HA PRO 8 -24.074 8.100 0.670 434 HB2 PRO 8 2HB PRO 8 -26.120 6.430 1.414 435 HB3 PRO 8 1HB PRO 8 -26.276 8.183 1.260 436 HG2 PRO 8 2HG PRO 8 -27.055 6.038 -0.669 437 HG3 PRO 8 1HG PRO 8 -27.917 7.525 -0.233 438 HD2 PRO 8 2HD PRO 8 -26.505 7.306 -2.514 439 HD3 PRO 8 1HD PRO 8 -26.610 8.835 -1.616 440 H ARG 9 H ARG 9 -24.424 5.455 -1.555 441 HA ARG 9 HA ARG 9 -23.289 3.557 0.350 442 HB2 ARG 9 2HB ARG 9 -24.041 3.145 -2.545 443 HB3 ARG 9 1HB ARG 9 -23.623 1.891 -1.385 444 HG2 ARG 9 2HG ARG 9 -25.618 2.108 -0.227 445 HG3 ARG 9 1HG ARG 9 -25.918 3.730 -0.859 446 HD2 ARG 9 2HD ARG 9 -26.009 1.169 -2.447 447 HD3 ARG 9 1HD ARG 9 -27.410 2.069 -1.866 448 HE ARG 9 HE ARG 9 -25.937 3.874 -3.349 449 HH11 ARG 9 1HH1 ARG 9 -27.437 0.764 -3.949 450 HH12 ARG 9 2HH1 ARG 9 -27.778 1.109 -5.614 451 HH21 ARG 9 1HH2 ARG 9 -26.397 4.340 -5.531 452 HH22 ARG 9 2HH2 ARG 9 -27.198 3.145 -6.516 453 H LEU 10 H LEU 10 -22.354 5.598 -2.261 454 HA LEU 10 HA LEU 10 -19.928 4.247 -2.930 455 HB2 LEU 10 2HB LEU 10 -21.105 5.797 -4.460 456 HB3 LEU 10 1HB LEU 10 -20.728 7.123 -3.379 457 HG LEU 10 HG LEU 10 -18.292 6.666 -3.789 458 HD11 LEU 10 1HD1 LEU 10 -17.702 5.353 -5.760 459 HD12 LEU 10 2HD1 LEU 10 -19.391 4.877 -5.948 460 HD13 LEU 10 3HD1 LEU 10 -18.480 4.360 -4.529 461 HD21 LEU 10 3HD2 LEU 10 -20.018 7.373 -6.160 462 HD22 LEU 10 1HD2 LEU 10 -18.288 7.694 -6.030 463 HD23 LEU 10 2HD2 LEU 10 -19.415 8.481 -4.927 464 H ILE 11 H ILE 11 -20.821 6.873 -0.746 465 HA ILE 11 HA ILE 11 -18.135 7.480 0.003 466 HB ILE 11 HB ILE 11 -19.996 9.107 0.219 467 HG12 ILE 11 2HG1 ILE 11 -18.667 8.505 2.870 468 HG13 ILE 11 1HG1 ILE 11 -17.875 9.319 1.524 469 HG21 ILE 11 1HG2 ILE 11 -21.484 8.931 2.210 470 HG22 ILE 11 2HG2 ILE 11 -20.888 7.292 2.455 471 HG23 ILE 11 3HG2 ILE 11 -21.776 7.694 0.988 472 HD11 ILE 11 3HD1 ILE 11 -19.508 11.134 1.676 473 HD12 ILE 11 1HD1 ILE 11 -18.628 10.907 3.188 474 HD13 ILE 11 2HD1 ILE 11 -20.280 10.311 3.033 475 H GLU 12 H GLU 12 -20.469 5.130 0.966 476 HA GLU 12 HA GLU 12 -19.339 4.537 3.517 477 HB2 GLU 12 2HB GLU 12 -21.335 3.163 1.751 478 HB3 GLU 12 1HB GLU 12 -20.719 2.377 3.198 479 HG2 GLU 12 2HG GLU 12 -22.143 5.023 3.099 480 HG3 GLU 12 1HG GLU 12 -22.837 3.490 3.625 481 H SER 13 H SER 13 -18.384 3.847 0.341 482 HA SER 13 HA SER 13 -17.223 1.302 0.691 483 HB2 SER 13 2HB SER 13 -16.277 3.510 -1.152 484 HB3 SER 13 1HB SER 13 -15.972 1.780 -1.330 485 HG SER 13 HG SER 13 -18.608 2.207 -1.100 486 H LEU 14 H LEU 14 -16.255 4.501 1.598 487 HA LEU 14 HA LEU 14 -13.524 3.772 2.213 488 HB2 LEU 14 2HB LEU 14 -15.123 6.255 2.865 489 HB3 LEU 14 1HB LEU 14 -13.414 6.054 3.204 490 HG LEU 14 HG LEU 14 -13.368 5.578 0.569 491 HD11 LEU 14 1HD1 LEU 14 -14.873 7.150 -0.571 492 HD12 LEU 14 2HD1 LEU 14 -15.683 7.470 0.964 493 HD13 LEU 14 3HD1 LEU 14 -15.752 5.860 0.247 494 HD21 LEU 14 3HD2 LEU 14 -13.431 8.331 1.804 495 HD22 LEU 14 1HD2 LEU 14 -12.660 7.885 0.280 496 HD23 LEU 14 2HD2 LEU 14 -12.045 7.240 1.803 497 H SER 15 H SER 15 -16.530 4.451 3.937 498 HA SER 15 HA SER 15 -15.583 4.192 6.555 499 HB2 SER 15 2HB SER 15 -18.346 3.295 5.816 500 HB3 SER 15 1HB SER 15 -17.815 4.264 7.191 501 HG SER 15 HG SER 15 -18.956 5.302 5.265 502 H GLN 16 H GLN 16 -16.805 1.799 4.264 503 HA GLN 16 HA GLN 16 -16.954 -0.420 5.944 504 HB2 GLN 16 2HB GLN 16 -17.886 -0.474 3.715 505 HB3 GLN 16 1HB GLN 16 -16.301 -0.221 3.000 506 HG2 GLN 16 2HG GLN 16 -16.927 -2.512 2.725 507 HG3 GLN 16 1HG GLN 16 -15.591 -2.417 3.869 508 HE21 GLN 16 1HE2 GLN 16 -15.949 -2.921 6.016 509 HE22 GLN 16 2HE2 GLN 16 -17.375 -3.747 6.551 510 H MET 17 H MET 17 -14.206 1.005 4.267 511 HA MET 17 HA MET 17 -12.341 -1.055 4.709 512 HB2 MET 17 2HB MET 17 -12.147 1.872 4.129 513 HB3 MET 17 1HB MET 17 -10.698 1.019 4.654 514 HG2 MET 17 2HG MET 17 -12.392 0.351 2.259 515 HG3 MET 17 1HG MET 17 -10.819 1.145 2.238 516 HE1 MET 17 3HE MET 17 -11.316 -1.342 0.417 517 HE2 MET 17 1HE MET 17 -9.862 -2.293 0.725 518 HE3 MET 17 2HE MET 17 -9.753 -0.538 0.573 519 H LEU 18 H LEU 18 -13.242 1.785 6.593 520 HA LEU 18 HA LEU 18 -11.355 1.476 8.655 521 HB2 LEU 18 2HB LEU 18 -12.659 3.543 8.229 522 HB3 LEU 18 1HB LEU 18 -14.104 2.724 8.786 523 HG LEU 18 HG LEU 18 -13.012 2.452 11.024 524 HD11 LEU 18 1HD1 LEU 18 -10.965 4.313 9.828 525 HD12 LEU 18 2HD1 LEU 18 -10.693 2.645 10.329 526 HD13 LEU 18 3HD1 LEU 18 -11.084 3.873 11.531 527 HD21 LEU 18 3HD2 LEU 18 -14.629 4.224 10.594 528 HD22 LEU 18 1HD2 LEU 18 -13.339 5.276 10.011 529 HD23 LEU 18 2HD2 LEU 18 -13.373 4.772 11.702 530 H SER 19 H SER 19 -14.626 0.214 8.213 531 HA SER 19 HA SER 19 -14.876 -0.966 10.774 532 HB2 SER 19 2HB SER 19 -16.253 -2.011 8.308 533 HB3 SER 19 1HB SER 19 -16.858 -1.943 9.964 534 HG SER 19 HG SER 19 -16.968 0.319 9.768 535 H MET 20 H MET 20 -13.237 -1.902 7.895 536 HA MET 20 HA MET 20 -13.006 -4.694 8.637 537 HB2 MET 20 2HB MET 20 -11.928 -3.036 6.363 538 HB3 MET 20 1HB MET 20 -11.374 -4.683 6.638 539 HG2 MET 20 2HG MET 20 -14.266 -3.941 6.258 540 HG3 MET 20 1HG MET 20 -13.195 -4.435 4.947 541 HE1 MET 20 3HE MET 20 -11.534 -6.737 5.609 542 HE2 MET 20 1HE MET 20 -12.712 -6.824 4.300 543 HE3 MET 20 2HE MET 20 -12.592 -8.141 5.470 544 H GLY 21 H GLY 21 -11.555 -1.855 9.548 545 HA2 GLY 21 2HA GLY 21 -9.902 -1.736 11.224 546 HA3 GLY 21 1HA GLY 21 -9.333 -3.328 10.744 547 H PHE 22 H PHE 22 -9.834 -1.615 7.980 548 HA PHE 22 HA PHE 22 -7.011 -1.292 7.566 549 HB2 PHE 22 2HB PHE 22 -9.003 -1.879 5.864 550 HB3 PHE 22 1HB PHE 22 -8.947 -0.140 5.622 551 HD1 PHE 22 2HD PHE 22 -6.213 0.597 5.622 552 HD2 PHE 22 1HD PHE 22 -7.979 -2.989 4.168 553 HE1 PHE 22 2HE PHE 22 -4.324 0.304 4.075 554 HE2 PHE 22 1HE PHE 22 -6.092 -3.295 2.617 555 HZ PHE 22 HZ PHE 22 -4.263 -1.647 2.566 556 H SER 23 H SER 23 -5.882 0.429 8.005 557 HA SER 23 HA SER 23 -7.027 3.080 7.796 558 HB2 SER 23 2HB SER 23 -5.762 3.415 10.169 559 HB3 SER 23 1HB SER 23 -7.486 3.048 10.040 560 HG SER 23 HG SER 23 -6.933 0.829 10.278 561 H ASP 24 H ASP 24 -5.471 4.622 7.321 562 HA ASP 24 HA ASP 24 -2.805 3.511 6.827 563 HB2 ASP 24 2HB ASP 24 -2.563 5.491 5.258 564 HB3 ASP 24 1HB ASP 24 -3.708 4.249 4.775 565 H GLU 25 H GLU 25 -0.965 4.761 7.191 566 HA GLU 25 HA GLU 25 -1.246 6.615 9.452 567 HB2 GLU 25 2HB GLU 25 1.472 5.962 9.087 568 HB3 GLU 25 1HB GLU 25 0.404 5.405 10.364 569 HG2 GLU 25 2HG GLU 25 1.372 3.476 9.441 570 HG3 GLU 25 1HG GLU 25 -0.277 3.530 8.824 571 H GLY 26 H GLY 26 0.403 6.129 6.366 572 HA2 GLY 26 2HA GLY 26 1.355 8.878 6.369 573 HA3 GLY 26 1HA GLY 26 1.696 7.657 5.154 574 H GLY 27 H GLY 27 -1.528 7.496 5.681 575 HA2 GLY 27 2HA GLY 27 -3.404 8.416 4.701 576 HA3 GLY 27 1HA GLY 27 -2.423 9.779 4.191 577 H TRP 28 H TRP 28 -1.906 6.359 3.428 578 HA TRP 28 HA TRP 28 -1.979 7.103 0.610 579 HB2 TRP 28 2HB TRP 28 -0.842 4.973 0.175 580 HB3 TRP 28 1HB TRP 28 0.041 5.989 1.306 581 HD1 TRP 28 HD TRP 28 -0.069 5.203 3.946 582 HE1 TRP 28 1HE TRP 28 -0.217 2.835 4.936 583 HE3 TRP 28 3HE TRP 28 -1.750 2.720 -0.185 584 HZ2 TRP 28 2HZ TRP 28 -0.958 0.236 4.066 585 HZ3 TRP 28 3HZ TRP 28 -2.149 0.297 -0.029 586 HH2 TRP 28 HH TRP 28 -1.762 -0.917 2.049 587 H LEU 29 H LEU 29 -3.973 5.514 2.873 588 HA LEU 29 HA LEU 29 -5.168 3.622 1.083 589 HB2 LEU 29 2HB LEU 29 -5.332 3.277 3.473 590 HB3 LEU 29 1HB LEU 29 -6.150 4.812 3.678 591 HG LEU 29 HG LEU 29 -8.064 3.905 2.352 592 HD11 LEU 29 1HD1 LEU 29 -6.919 2.173 1.104 593 HD12 LEU 29 2HD1 LEU 29 -8.225 1.476 2.063 594 HD13 LEU 29 3HD1 LEU 29 -6.553 1.310 2.599 595 HD21 LEU 29 3HD2 LEU 29 -7.278 2.424 4.852 596 HD22 LEU 29 1HD2 LEU 29 -8.901 2.453 4.159 597 HD23 LEU 29 2HD2 LEU 29 -8.168 3.944 4.755 598 H THR 30 H THR 30 -5.994 6.880 2.174 599 HA THR 30 HA THR 30 -8.401 7.098 0.704 600 HB THR 30 HB THR 30 -7.802 8.585 2.612 601 HG1 THR 30 1HG THR 30 -8.511 9.718 0.107 602 HG21 THR 30 3HG2 THR 30 -5.918 9.862 0.627 603 HG22 THR 30 1HG2 THR 30 -5.453 8.980 2.080 604 HG23 THR 30 2HG2 THR 30 -6.324 10.508 2.216 605 H ARG 31 H ARG 31 -5.185 7.023 -0.270 606 HA ARG 31 HA ARG 31 -5.602 8.585 -2.701 607 HB2 ARG 31 2HB ARG 31 -3.136 7.097 -1.774 608 HB3 ARG 31 1HB ARG 31 -3.224 8.254 -3.096 609 HG2 ARG 31 2HG ARG 31 -3.791 8.940 -0.222 610 HG3 ARG 31 1HG ARG 31 -2.224 9.153 -1.005 611 HD2 ARG 31 2HD ARG 31 -4.799 10.418 -1.925 612 HD3 ARG 31 1HD ARG 31 -3.574 11.221 -0.947 613 HE ARG 31 HE ARG 31 -3.355 10.482 -3.770 614 HH11 ARG 31 1HH1 ARG 31 -1.921 11.931 -0.925 615 HH12 ARG 31 2HH1 ARG 31 -0.642 12.696 -1.808 616 HH21 ARG 31 1HH2 ARG 31 -1.683 11.484 -4.934 617 HH22 ARG 31 2HH2 ARG 31 -0.506 12.447 -4.095 618 H LEU 32 H LEU 32 -4.826 5.294 -1.662 619 HA LEU 32 HA LEU 32 -4.620 4.099 -4.179 620 HB2 LEU 32 2HB LEU 32 -4.021 3.181 -1.858 621 HB3 LEU 32 1HB LEU 32 -5.707 2.713 -1.741 622 HG LEU 32 HG LEU 32 -5.344 1.415 -3.909 623 HD11 LEU 32 1HD1 LEU 32 -2.984 0.725 -4.288 624 HD12 LEU 32 2HD1 LEU 32 -2.481 1.983 -3.158 625 HD13 LEU 32 3HD1 LEU 32 -3.302 2.421 -4.658 626 HD21 LEU 32 3HD2 LEU 32 -4.313 -0.486 -2.712 627 HD22 LEU 32 1HD2 LEU 32 -5.583 0.301 -1.777 628 HD23 LEU 32 2HD2 LEU 32 -3.889 0.606 -1.394 629 H LEU 33 H LEU 33 -7.411 4.792 -2.176 630 HA LEU 33 HA LEU 33 -9.286 3.247 -3.635 631 HB2 LEU 33 2HB LEU 33 -9.622 5.618 -1.810 632 HB3 LEU 33 1HB LEU 33 -10.968 4.722 -2.485 633 HG LEU 33 HG LEU 33 -8.849 3.503 -0.718 634 HD11 LEU 33 1HD1 LEU 33 -10.516 3.574 1.055 635 HD12 LEU 33 2HD1 LEU 33 -11.623 4.443 -0.009 636 HD13 LEU 33 3HD1 LEU 33 -10.113 5.199 0.497 637 HD21 LEU 33 3HD2 LEU 33 -9.939 1.895 -2.163 638 HD22 LEU 33 1HD2 LEU 33 -11.525 2.498 -1.675 639 HD23 LEU 33 2HD2 LEU 33 -10.490 1.684 -0.502 640 H GLN 34 H GLN 34 -7.691 6.125 -4.423 641 HA GLN 34 HA GLN 34 -9.847 7.080 -6.140 642 HB2 GLN 34 2HB GLN 34 -7.105 8.272 -5.689 643 HB3 GLN 34 1HB GLN 34 -8.453 9.035 -6.521 644 HG2 GLN 34 2HG GLN 34 -8.309 8.332 -3.601 645 HG3 GLN 34 1HG GLN 34 -8.224 9.947 -4.304 646 HE21 GLN 34 1HE2 GLN 34 -10.087 8.761 -2.369 647 HE22 GLN 34 2HE2 GLN 34 -11.672 8.987 -3.036 648 H THR 35 H THR 35 -6.531 5.859 -6.345 649 HA THR 35 HA THR 35 -6.458 5.999 -9.210 650 HB THR 35 HB THR 35 -4.398 4.335 -8.519 651 HG1 THR 35 1HG THR 35 -3.584 5.128 -6.531 652 HG21 THR 35 3HG2 THR 35 -4.486 7.356 -8.455 653 HG22 THR 35 1HG2 THR 35 -4.180 6.342 -9.865 654 HG23 THR 35 2HG2 THR 35 -3.015 6.390 -8.543 655 H LYS 36 H LYS 36 -6.778 3.380 -6.816 656 HA LYS 36 HA LYS 36 -7.194 1.470 -8.995 657 HB2 LYS 36 2HB LYS 36 -5.690 1.078 -6.912 658 HB3 LYS 36 1HB LYS 36 -7.203 0.761 -6.075 659 HG2 LYS 36 2HG LYS 36 -7.691 -1.092 -7.484 660 HG3 LYS 36 1HG LYS 36 -6.366 -0.688 -8.577 661 HD2 LYS 36 2HD LYS 36 -4.757 -1.174 -6.803 662 HD3 LYS 36 1HD LYS 36 -6.085 -1.554 -5.700 663 HE2 LYS 36 2HE LYS 36 -5.030 -3.564 -6.690 664 HE3 LYS 36 1HE LYS 36 -6.745 -3.422 -7.060 665 HZ1 LYS 36 3HZ LYS 36 -6.243 -2.680 -9.247 666 HZ2 LYS 36 1HZ LYS 36 -5.337 -4.081 -8.970 667 HZ3 LYS 36 2HZ LYS 36 -4.590 -2.566 -8.909 668 H ASN 37 H ASN 37 -9.080 3.608 -7.630 669 HA ASN 37 HA ASN 37 -11.334 3.886 -7.487 670 HB2 ASN 37 2HB ASN 37 -11.406 2.426 -9.515 671 HB3 ASN 37 1HB ASN 37 -11.550 1.027 -8.461 672 HD21 ASN 37 1HD2 ASN 37 -13.539 0.321 -8.935 673 HD22 ASN 37 2HD2 ASN 37 -14.980 1.262 -8.751 674 H TYR 38 H TYR 38 -13.318 2.922 -6.321 675 HA TYR 38 HA TYR 38 -12.446 2.123 -3.692 676 HB2 TYR 38 2HB TYR 38 -15.222 2.643 -4.783 677 HB3 TYR 38 1HB TYR 38 -14.828 2.393 -3.088 678 HD1 TYR 38 1HD TYR 38 -13.191 4.045 -2.003 679 HD2 TYR 38 2HD TYR 38 -15.153 4.796 -5.703 680 HE1 TYR 38 1HE TYR 38 -12.754 6.448 -1.740 681 HE2 TYR 38 2HE TYR 38 -14.719 7.205 -5.451 682 HH TYR 38 HH TYR 38 -14.256 8.816 -3.660 683 H ASP 39 H ASP 39 -11.917 0.178 -5.632 684 HA ASP 39 HA ASP 39 -13.935 -1.891 -5.429 685 HB2 ASP 39 2HB ASP 39 -11.516 -1.425 -7.025 686 HB3 ASP 39 1HB ASP 39 -11.696 -3.094 -6.499 687 H ILE 40 H ILE 40 -14.024 -2.340 -3.261 688 HA ILE 40 HA ILE 40 -11.961 -2.710 -1.468 689 HB ILE 40 HB ILE 40 -14.548 -4.261 -1.500 690 HG12 ILE 40 2HG1 ILE 40 -13.992 -1.623 -0.133 691 HG13 ILE 40 1HG1 ILE 40 -14.788 -1.755 -1.698 692 HG21 ILE 40 1HG2 ILE 40 -12.893 -5.123 0.078 693 HG22 ILE 40 2HG2 ILE 40 -14.259 -4.387 0.914 694 HG23 ILE 40 3HG2 ILE 40 -12.730 -3.519 0.787 695 HD11 ILE 40 3HD1 ILE 40 -15.790 -2.942 0.884 696 HD12 ILE 40 1HD1 ILE 40 -16.598 -3.024 -0.684 697 HD13 ILE 40 2HD1 ILE 40 -16.387 -1.469 0.121 698 H GLY 41 H GLY 41 -13.505 -5.170 -3.522 699 HA2 GLY 41 2HA GLY 41 -12.067 -7.386 -2.578 700 HA3 GLY 41 1HA GLY 41 -12.837 -7.269 -4.152 701 H ALA 42 H ALA 42 -11.325 -5.061 -5.114 702 HA ALA 42 HA ALA 42 -9.046 -6.460 -6.099 703 HB1 ALA 42 1HB ALA 42 -8.609 -4.492 -7.403 704 HB2 ALA 42 2HB ALA 42 -9.682 -3.530 -6.389 705 HB3 ALA 42 3HB ALA 42 -10.346 -4.801 -7.416 706 H ALA 43 H ALA 43 -9.536 -3.857 -3.770 707 HA ALA 43 HA ALA 43 -6.823 -3.203 -3.366 708 HB1 ALA 43 1HB ALA 43 -9.148 -2.899 -1.467 709 HB2 ALA 43 2HB ALA 43 -8.644 -1.730 -2.685 710 HB3 ALA 43 3HB ALA 43 -7.585 -2.094 -1.324 711 H LEU 44 H LEU 44 -8.948 -5.546 -1.791 712 HA LEU 44 HA LEU 44 -7.175 -6.299 0.275 713 HB2 LEU 44 2HB LEU 44 -9.677 -7.294 -0.882 714 HB3 LEU 44 1HB LEU 44 -8.654 -8.567 -0.248 715 HG LEU 44 HG LEU 44 -8.588 -7.356 1.939 716 HD11 LEU 44 1HD1 LEU 44 -10.715 -5.636 0.670 717 HD12 LEU 44 2HD1 LEU 44 -9.085 -5.113 1.099 718 HD13 LEU 44 3HD1 LEU 44 -10.215 -5.601 2.362 719 HD21 LEU 44 3HD2 LEU 44 -10.868 -7.980 2.596 720 HD22 LEU 44 1HD2 LEU 44 -10.121 -9.211 1.574 721 HD23 LEU 44 2HD2 LEU 44 -11.316 -8.107 0.895 722 H ASP 45 H ASP 45 -7.488 -7.300 -3.056 723 HA ASP 45 HA ASP 45 -5.721 -9.556 -2.826 724 HB2 ASP 45 2HB ASP 45 -7.506 -9.452 -4.526 725 HB3 ASP 45 1HB ASP 45 -6.694 -8.089 -5.288 726 H THR 46 H THR 46 -5.342 -6.180 -3.265 727 HA THR 46 HA THR 46 -2.958 -6.100 -4.752 728 HB THR 46 HB THR 46 -3.765 -4.120 -2.620 729 HG1 THR 46 1HG THR 46 -5.245 -4.847 -4.616 730 HG21 THR 46 3HG2 THR 46 -2.610 -2.502 -4.029 731 HG22 THR 46 1HG2 THR 46 -2.232 -3.766 -5.201 732 HG23 THR 46 2HG2 THR 46 -1.516 -3.812 -3.590 733 H ILE 47 H ILE 47 -3.558 -6.652 -1.330 734 HA ILE 47 HA ILE 47 -0.646 -6.836 -0.929 735 HB ILE 47 HB ILE 47 -1.040 -6.451 1.466 736 HG12 ILE 47 2HG1 ILE 47 -3.897 -5.885 0.636 737 HG13 ILE 47 1HG1 ILE 47 -3.376 -7.299 1.540 738 HG21 ILE 47 1HG2 ILE 47 -2.264 -4.268 -0.210 739 HG22 ILE 47 2HG2 ILE 47 -0.537 -4.610 -0.136 740 HG23 ILE 47 3HG2 ILE 47 -1.395 -4.091 1.314 741 HD11 ILE 47 3HD1 ILE 47 -4.333 -5.720 3.052 742 HD12 ILE 47 1HD1 ILE 47 -3.285 -4.436 2.447 743 HD13 ILE 47 2HD1 ILE 47 -2.596 -5.790 3.344 744 H GLN 48 H GLN 48 -3.203 -8.723 -1.487 745 HA GLN 48 HA GLN 48 -3.594 -10.948 -1.355 746 HB2 GLN 48 2HB GLN 48 -0.792 -10.862 -0.321 747 HB3 GLN 48 1HB GLN 48 -1.710 -12.359 -0.226 748 HG2 GLN 48 2HG GLN 48 -1.148 -10.800 -2.730 749 HG3 GLN 48 1HG GLN 48 -0.329 -12.278 -2.226 750 HE21 GLN 48 1HE2 GLN 48 -1.963 -11.633 -4.610 751 HE22 GLN 48 2HE2 GLN 48 -3.197 -12.851 -4.650 752 H TYR 49 H TYR 49 -3.129 -9.114 1.465 753 HA TYR 49 HA TYR 49 -3.810 -11.193 3.318 754 HB2 TYR 49 2HB TYR 49 -3.659 -8.193 3.632 755 HB3 TYR 49 1HB TYR 49 -4.042 -9.294 4.951 756 HD1 TYR 49 2HD TYR 49 -2.281 -11.316 5.162 757 HD2 TYR 49 1HD TYR 49 -1.452 -7.511 3.453 758 HE1 TYR 49 2HE TYR 49 0.119 -11.655 5.587 759 HE2 TYR 49 1HE TYR 49 0.951 -7.838 3.873 760 HH TYR 49 HH TYR 49 2.501 -9.130 4.802 761 H SER 50 H SER 50 -5.695 -11.821 1.934 762 HA SER 50 HA SER 50 -8.082 -10.221 2.576 763 HB2 SER 50 2HB SER 50 -7.990 -12.474 0.577 764 HB3 SER 50 1HB SER 50 -9.118 -11.122 0.660 765 HG SER 50 HG SER 50 -6.748 -10.051 0.405 766 H LYS 51 H LYS 51 -6.434 -13.128 3.256 767 HA LYS 51 HA LYS 51 -8.822 -14.478 4.253 768 HB2 LYS 51 2HB LYS 51 -5.954 -15.370 3.933 769 HB3 LYS 51 1HB LYS 51 -7.178 -16.348 4.727 770 HG2 LYS 51 2HG LYS 51 -8.072 -15.424 2.139 771 HG3 LYS 51 1HG LYS 51 -6.557 -16.321 2.029 772 HD2 LYS 51 2HD LYS 51 -8.354 -17.880 1.796 773 HD3 LYS 51 1HD LYS 51 -7.623 -18.132 3.381 774 HE2 LYS 51 2HE LYS 51 -9.419 -16.673 4.338 775 HE3 LYS 51 1HE LYS 51 -10.185 -16.681 2.751 776 HZ1 LYS 51 3HZ LYS 51 -9.710 -19.006 4.524 777 HZ2 LYS 51 1HZ LYS 51 -10.239 -19.140 2.923 778 HZ3 LYS 51 2HZ LYS 51 -11.198 -18.351 4.066 779 H HIS 52 H HIS 52 -5.636 -13.429 5.446 780 HA HIS 52 HA HIS 52 -6.766 -12.794 8.010 781 HB2 HIS 52 2HB HIS 52 -6.202 -15.313 8.032 782 HB3 HIS 52 1HB HIS 52 -4.517 -14.804 7.977 783 HD1 HIS 52 1HD HIS 52 -3.468 -14.617 10.206 784 HD2 HIS 52 2HD HIS 52 -7.566 -13.944 10.363 785 HE1 HIS 52 1HE HIS 52 -4.006 -14.281 12.638 786 HE2 HIS 52 2HE HIS 52 -6.448 -13.684 12.680 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 19.482 20.008 -2.821 2 H2 GLY 1 2HT GLY 1 18.041 19.374 -2.202 3 H3 GLY 1 3HT GLY 1 18.169 19.731 -3.850 4 HA2 GLY 1 1HA GLY 1 18.351 17.375 -3.568 5 HA3 GLY 1 2HA GLY 1 19.895 18.036 -4.083 6 H SER 2 H SER 2 20.035 15.640 -2.953 7 HA SER 2 HA SER 2 20.311 15.740 -0.106 8 HB2 SER 2 2HB SER 2 21.571 13.489 -0.666 9 HB3 SER 2 1HB SER 2 19.818 13.598 -0.837 10 HG SER 2 HG SER 2 21.714 13.976 -2.920 11 HA PRO 3 HA PRO 3 24.442 17.452 -0.265 12 HB2 PRO 3 2HB PRO 3 24.792 17.724 2.380 13 HB3 PRO 3 1HB PRO 3 23.682 18.770 1.490 14 HG2 PRO 3 2HG PRO 3 23.080 16.377 3.176 15 HG3 PRO 3 1HG PRO 3 22.232 17.930 3.095 16 HD2 PRO 3 2HD PRO 3 21.403 15.657 1.799 17 HD3 PRO 3 1HD PRO 3 21.016 17.303 1.262 18 HA PRO 4 HA PRO 4 27.296 14.117 0.341 19 HB2 PRO 4 2HB PRO 4 28.905 15.905 2.098 20 HB3 PRO 4 1HB PRO 4 29.393 14.999 0.663 21 HG2 PRO 4 2HG PRO 4 29.039 17.628 0.541 22 HG3 PRO 4 1HG PRO 4 28.521 16.580 -0.791 23 HD2 PRO 4 2HD PRO 4 26.877 17.900 1.329 24 HD3 PRO 4 1HD PRO 4 26.510 17.643 -0.390 25 H GLU 5 H GLU 5 25.954 15.756 3.067 26 HA GLU 5 HA GLU 5 26.955 14.057 5.111 27 HB2 GLU 5 2HB GLU 5 24.737 16.067 4.934 28 HB3 GLU 5 1HB GLU 5 24.890 15.045 6.358 29 HG2 GLU 5 2HG GLU 5 26.947 16.962 5.285 30 HG3 GLU 5 1HG GLU 5 25.986 17.148 6.753 31 H ALA 6 H ALA 6 24.486 13.692 2.765 32 HA ALA 6 HA ALA 6 22.958 11.755 4.269 33 HB1 ALA 6 1HB ALA 6 22.824 12.514 1.348 34 HB2 ALA 6 2HB ALA 6 21.824 13.175 2.642 35 HB3 ALA 6 3HB ALA 6 21.675 11.477 2.194 36 H ASP 7 H ASP 7 23.221 9.613 4.257 37 HA ASP 7 HA ASP 7 25.609 8.483 3.270 38 HB2 ASP 7 2HB ASP 7 24.240 7.695 5.259 39 HB3 ASP 7 1HB ASP 7 23.155 6.938 4.100 40 HA PRO 8 HA PRO 8 24.409 7.819 -0.949 41 HB2 PRO 8 2HB PRO 8 26.428 6.067 -1.567 42 HB3 PRO 8 1HB PRO 8 26.611 7.824 -1.532 43 HG2 PRO 8 2HG PRO 8 27.352 5.800 0.542 44 HG3 PRO 8 1HG PRO 8 28.234 7.245 0.014 45 HD2 PRO 8 2HD PRO 8 26.808 7.198 2.295 46 HD3 PRO 8 1HD PRO 8 26.941 8.661 1.298 47 H ARG 9 H ARG 9 24.713 5.317 1.440 48 HA ARG 9 HA ARG 9 23.581 3.290 -0.320 49 HB2 ARG 9 2HB ARG 9 24.289 3.186 2.615 50 HB3 ARG 9 1HB ARG 9 23.734 1.819 1.659 51 HG2 ARG 9 2HG ARG 9 25.717 1.687 0.468 52 HG3 ARG 9 1HG ARG 9 26.170 3.353 0.846 53 HD2 ARG 9 2HD ARG 9 26.031 1.085 2.833 54 HD3 ARG 9 1HD ARG 9 27.510 1.693 2.088 55 HE ARG 9 HE ARG 9 26.085 3.805 3.350 56 HH11 ARG 9 1HH1 ARG 9 28.058 1.012 4.079 57 HH12 ARG 9 2HH1 ARG 9 28.704 1.684 5.539 58 HH21 ARG 9 1HH2 ARG 9 26.929 4.702 5.279 59 HH22 ARG 9 2HH2 ARG 9 28.056 3.769 6.225 60 H LEU 10 H LEU 10 22.660 5.196 2.505 61 HA LEU 10 HA LEU 10 20.140 4.007 2.925 62 HB2 LEU 10 2HB LEU 10 21.176 6.751 3.610 63 HB3 LEU 10 1HB LEU 10 19.597 6.176 4.106 64 HG LEU 10 HG LEU 10 22.244 4.957 4.909 65 HD11 LEU 10 1HD1 LEU 10 21.745 5.832 7.117 66 HD12 LEU 10 2HD1 LEU 10 20.249 6.546 6.516 67 HD13 LEU 10 3HD1 LEU 10 21.805 7.142 5.936 68 HD21 LEU 10 3HD2 LEU 10 19.411 4.257 5.677 69 HD22 LEU 10 1HD2 LEU 10 20.856 3.635 6.474 70 HD23 LEU 10 2HD2 LEU 10 20.549 3.249 4.783 71 H ILE 11 H ILE 11 21.161 6.684 0.862 72 HA ILE 11 HA ILE 11 18.485 7.401 0.137 73 HB ILE 11 HB ILE 11 20.365 9.015 0.061 74 HG12 ILE 11 2HG1 ILE 11 19.025 8.596 -2.621 75 HG13 ILE 11 1HG1 ILE 11 18.263 9.360 -1.229 76 HG21 ILE 11 1HG2 ILE 11 21.913 8.981 -1.841 77 HG22 ILE 11 2HG2 ILE 11 21.254 7.424 -2.342 78 HG23 ILE 11 3HG2 ILE 11 22.107 7.568 -0.805 79 HD11 ILE 11 3HD1 ILE 11 19.900 11.150 -1.302 80 HD12 ILE 11 1HD1 ILE 11 19.069 10.987 -2.848 81 HD13 ILE 11 2HD1 ILE 11 20.711 10.372 -2.662 82 H GLU 12 H GLU 12 20.756 5.040 -0.934 83 HA GLU 12 HA GLU 12 19.658 4.711 -3.559 84 HB2 GLU 12 2HB GLU 12 21.731 3.340 -1.931 85 HB3 GLU 12 1HB GLU 12 20.986 2.417 -3.231 86 HG2 GLU 12 2HG GLU 12 22.425 5.045 -3.484 87 HG3 GLU 12 1HG GLU 12 22.993 3.467 -4.029 88 H SER 13 H SER 13 18.648 3.756 -0.464 89 HA SER 13 HA SER 13 17.454 1.275 -1.003 90 HB2 SER 13 2HB SER 13 16.596 3.438 0.939 91 HB3 SER 13 1HB SER 13 16.001 1.777 0.950 92 HG SER 13 HG SER 13 18.347 1.223 1.108 93 H LEU 14 H LEU 14 16.508 4.536 -1.767 94 HA LEU 14 HA LEU 14 13.791 3.933 -2.427 95 HB2 LEU 14 2HB LEU 14 15.616 6.256 -2.964 96 HB3 LEU 14 1HB LEU 14 14.037 6.170 -3.716 97 HG LEU 14 HG LEU 14 14.497 6.128 -0.732 98 HD11 LEU 14 1HD1 LEU 14 13.666 8.442 -0.787 99 HD12 LEU 14 2HD1 LEU 14 13.702 8.401 -2.548 100 HD13 LEU 14 3HD1 LEU 14 15.203 8.260 -1.632 101 HD21 LEU 14 3HD2 LEU 14 12.013 6.398 -2.418 102 HD22 LEU 14 1HD2 LEU 14 12.078 6.654 -0.675 103 HD23 LEU 14 2HD2 LEU 14 12.431 5.062 -1.345 104 H SER 15 H SER 15 16.774 4.422 -4.278 105 HA SER 15 HA SER 15 15.703 3.986 -6.830 106 HB2 SER 15 2HB SER 15 18.474 3.096 -6.478 107 HB3 SER 15 1HB SER 15 17.826 4.382 -7.499 108 HG SER 15 HG SER 15 19.266 4.962 -5.625 109 H GLN 16 H GLN 16 17.021 1.792 -4.416 110 HA GLN 16 HA GLN 16 17.177 -0.532 -5.947 111 HB2 GLN 16 2HB GLN 16 18.150 -0.335 -3.709 112 HB3 GLN 16 1HB GLN 16 16.543 -0.240 -3.002 113 HG2 GLN 16 2HG GLN 16 17.455 -2.449 -2.701 114 HG3 GLN 16 1HG GLN 16 16.072 -2.507 -3.792 115 HE21 GLN 16 1HE2 GLN 16 16.388 -2.963 -5.951 116 HE22 GLN 16 2HE2 GLN 16 17.860 -3.649 -6.547 117 H MET 17 H MET 17 14.446 0.855 -4.172 118 HA MET 17 HA MET 17 12.674 -1.318 -4.578 119 HB2 MET 17 2HB MET 17 12.075 1.610 -4.095 120 HB3 MET 17 1HB MET 17 10.883 0.319 -4.037 121 HG2 MET 17 2HG MET 17 13.276 0.598 -2.232 122 HG3 MET 17 1HG MET 17 11.605 0.964 -1.809 123 HE1 MET 17 3HE MET 17 9.747 -0.756 -1.468 124 HE2 MET 17 1HE MET 17 9.907 -2.498 -1.685 125 HE3 MET 17 2HE MET 17 9.943 -1.425 -3.087 126 H LEU 18 H LEU 18 13.347 1.626 -6.394 127 HA LEU 18 HA LEU 18 11.314 1.312 -8.331 128 HB2 LEU 18 2HB LEU 18 12.450 3.440 -7.956 129 HB3 LEU 18 1HB LEU 18 13.966 2.748 -8.503 130 HG LEU 18 HG LEU 18 12.922 2.410 -10.756 131 HD11 LEU 18 1HD1 LEU 18 10.713 4.099 -9.591 132 HD12 LEU 18 2HD1 LEU 18 10.584 2.397 -10.036 133 HD13 LEU 18 3HD1 LEU 18 10.871 3.614 -11.279 134 HD21 LEU 18 3HD2 LEU 18 14.368 4.321 -10.263 135 HD22 LEU 18 1HD2 LEU 18 12.964 5.243 -9.727 136 HD23 LEU 18 2HD2 LEU 18 13.101 4.744 -11.414 137 H SER 19 H SER 19 14.696 0.281 -8.200 138 HA SER 19 HA SER 19 14.778 -0.806 -10.816 139 HB2 SER 19 2HB SER 19 16.471 -1.407 -8.379 140 HB3 SER 19 1HB SER 19 16.839 -1.947 -10.014 141 HG SER 19 HG SER 19 16.508 0.560 -10.337 142 H MET 20 H MET 20 13.287 -1.881 -7.966 143 HA MET 20 HA MET 20 13.378 -4.696 -8.693 144 HB2 MET 20 2HB MET 20 13.467 -3.740 -6.290 145 HB3 MET 20 1HB MET 20 11.732 -3.516 -6.469 146 HG2 MET 20 2HG MET 20 11.458 -5.904 -6.875 147 HG3 MET 20 1HG MET 20 13.198 -6.135 -6.720 148 HE1 MET 20 3HE MET 20 13.882 -4.136 -4.244 149 HE2 MET 20 1HE MET 20 14.550 -5.744 -4.532 150 HE3 MET 20 2HE MET 20 13.841 -5.351 -2.967 151 H GLY 21 H GLY 21 11.688 -2.063 -9.654 152 HA2 GLY 21 2HA GLY 21 9.952 -2.077 -11.221 153 HA3 GLY 21 1HA GLY 21 9.564 -3.723 -10.746 154 H PHE 22 H PHE 22 9.946 -1.528 -8.143 155 HA PHE 22 HA PHE 22 7.024 -1.446 -7.864 156 HB2 PHE 22 2HB PHE 22 8.579 -2.628 -6.119 157 HB3 PHE 22 1HB PHE 22 8.872 -0.987 -5.556 158 HD1 PHE 22 1HD PHE 22 5.836 -2.822 -6.725 159 HD2 PHE 22 2HD PHE 22 7.684 -0.549 -3.637 160 HE1 PHE 22 1HE PHE 22 3.750 -2.910 -5.414 161 HE2 PHE 22 2HE PHE 22 5.606 -0.634 -2.325 162 HZ PHE 22 HZ PHE 22 3.634 -1.818 -3.217 163 H SER 23 H SER 23 6.066 0.443 -8.040 164 HA SER 23 HA SER 23 7.440 2.864 -7.189 165 HB2 SER 23 2HB SER 23 6.376 3.810 -9.491 166 HB3 SER 23 1HB SER 23 8.044 3.252 -9.353 167 HG SER 23 HG SER 23 7.118 1.123 -9.959 168 H ASP 24 H ASP 24 5.864 4.780 -7.352 169 HA ASP 24 HA ASP 24 3.155 3.819 -6.748 170 HB2 ASP 24 2HB ASP 24 2.980 5.764 -5.160 171 HB3 ASP 24 1HB ASP 24 4.081 4.492 -4.662 172 H GLU 25 H GLU 25 1.425 5.293 -7.147 173 HA GLU 25 HA GLU 25 1.979 7.028 -9.451 174 HB2 GLU 25 2HB GLU 25 -0.815 6.736 -9.032 175 HB3 GLU 25 1HB GLU 25 0.153 6.108 -10.355 176 HG2 GLU 25 2HG GLU 25 -0.927 4.241 -9.515 177 HG3 GLU 25 1HG GLU 25 0.677 4.149 -8.794 178 H GLY 26 H GLY 26 0.071 6.884 -6.460 179 HA2 GLY 26 2HA GLY 26 -0.363 9.768 -6.532 180 HA3 GLY 26 1HA GLY 26 -1.007 8.643 -5.346 181 H GLY 27 H GLY 27 2.197 7.970 -5.720 182 HA2 GLY 27 2HA GLY 27 4.122 8.527 -4.577 183 HA3 GLY 27 1HA GLY 27 3.340 10.016 -4.073 184 H TRP 28 H TRP 28 2.479 6.613 -3.510 185 HA TRP 28 HA TRP 28 2.250 7.258 -0.679 186 HB2 TRP 28 2HB TRP 28 0.980 5.212 -0.442 187 HB3 TRP 28 1HB TRP 28 0.308 6.210 -1.724 188 HD1 TRP 28 HD TRP 28 0.973 5.325 -4.315 189 HE1 TRP 28 1HE TRP 28 1.131 2.900 -5.159 190 HE3 TRP 28 3HE TRP 28 1.507 2.946 0.170 191 HZ2 TRP 28 2HZ TRP 28 1.431 0.307 -4.060 192 HZ3 TRP 28 3HZ TRP 28 1.713 0.497 0.196 193 HH2 TRP 28 HH TRP 28 1.684 -0.800 -1.878 194 H LEU 29 H LEU 29 4.254 5.433 -2.841 195 HA LEU 29 HA LEU 29 5.302 3.614 -0.913 196 HB2 LEU 29 2HB LEU 29 5.488 3.125 -3.276 197 HB3 LEU 29 1HB LEU 29 6.409 4.592 -3.545 198 HG LEU 29 HG LEU 29 8.259 3.674 -2.201 199 HD11 LEU 29 1HD1 LEU 29 7.045 2.221 -0.710 200 HD12 LEU 29 2HD1 LEU 29 8.226 1.270 -1.614 201 HD13 LEU 29 3HD1 LEU 29 6.520 1.218 -2.059 202 HD21 LEU 29 3HD2 LEU 29 7.365 1.831 -4.412 203 HD22 LEU 29 1HD2 LEU 29 9.013 2.024 -3.810 204 HD23 LEU 29 2HD2 LEU 29 8.213 3.361 -4.635 205 H THR 30 H THR 30 6.252 6.789 -2.102 206 HA THR 30 HA THR 30 8.692 6.974 -0.706 207 HB THR 30 HB THR 30 8.170 8.468 -2.563 208 HG1 THR 30 1HG THR 30 8.399 10.103 -0.254 209 HG21 THR 30 3HG2 THR 30 6.173 9.773 -0.713 210 HG22 THR 30 1HG2 THR 30 5.767 8.766 -2.102 211 HG23 THR 30 2HG2 THR 30 6.598 10.304 -2.341 212 H ARG 31 H ARG 31 5.427 7.267 0.359 213 HA ARG 31 HA ARG 31 6.201 8.602 2.837 214 HB2 ARG 31 2HB ARG 31 3.515 7.828 1.701 215 HB3 ARG 31 1HB ARG 31 3.714 8.479 3.320 216 HG2 ARG 31 2HG ARG 31 4.563 9.891 0.804 217 HG3 ARG 31 1HG ARG 31 3.029 10.157 1.634 218 HD2 ARG 31 2HD ARG 31 5.760 10.575 2.862 219 HD3 ARG 31 1HD ARG 31 4.749 11.849 2.185 220 HE ARG 31 HE ARG 31 4.347 10.437 4.697 221 HH11 ARG 31 1HH1 ARG 31 3.044 12.652 2.314 222 HH12 ARG 31 2HH1 ARG 31 1.922 13.376 3.416 223 HH21 ARG 31 1HH2 ARG 31 2.864 11.387 6.149 224 HH22 ARG 31 2HH2 ARG 31 1.810 12.654 5.594 225 H LEU 32 H LEU 32 5.179 5.507 1.600 226 HA LEU 32 HA LEU 32 4.522 4.209 3.988 227 HB2 LEU 32 2HB LEU 32 4.345 3.473 1.479 228 HB3 LEU 32 1HB LEU 32 5.927 2.777 1.766 229 HG LEU 32 HG LEU 32 4.809 1.589 3.773 230 HD11 LEU 32 1HD1 LEU 32 2.734 2.922 3.690 231 HD12 LEU 32 2HD1 LEU 32 2.436 1.189 3.549 232 HD13 LEU 32 3HD1 LEU 32 2.368 2.215 2.117 233 HD21 LEU 32 3HD2 LEU 32 4.039 -0.229 2.286 234 HD22 LEU 32 1HD2 LEU 32 5.619 0.410 1.826 235 HD23 LEU 32 2HD2 LEU 32 4.181 0.866 0.913 236 H LEU 33 H LEU 33 7.620 4.662 2.379 237 HA LEU 33 HA LEU 33 9.104 3.042 4.189 238 HB2 LEU 33 2HB LEU 33 10.050 5.200 2.313 239 HB3 LEU 33 1HB LEU 33 11.077 4.026 3.118 240 HG LEU 33 HG LEU 33 8.922 3.332 1.115 241 HD11 LEU 33 1HD1 LEU 33 10.641 3.017 -0.493 242 HD12 LEU 33 2HD1 LEU 33 11.904 3.296 0.705 243 HD13 LEU 33 3HD1 LEU 33 10.864 4.624 0.194 244 HD21 LEU 33 3HD2 LEU 33 9.419 1.566 2.759 245 HD22 LEU 33 1HD2 LEU 33 11.119 1.637 2.300 246 HD23 LEU 33 2HD2 LEU 33 9.907 1.122 1.126 247 H GLN 34 H GLN 34 7.691 6.034 4.611 248 HA GLN 34 HA GLN 34 9.771 7.079 6.357 249 HB2 GLN 34 2HB GLN 34 7.010 8.187 5.805 250 HB3 GLN 34 1HB GLN 34 8.313 9.015 6.648 251 HG2 GLN 34 2HG GLN 34 8.295 8.194 3.752 252 HG3 GLN 34 1HG GLN 34 8.102 9.829 4.380 253 HE21 GLN 34 1HE2 GLN 34 10.103 8.674 2.559 254 HE22 GLN 34 2HE2 GLN 34 11.645 9.001 3.279 255 H THR 35 H THR 35 6.617 5.525 6.569 256 HA THR 35 HA THR 35 6.688 5.761 9.481 257 HB THR 35 HB THR 35 4.369 4.733 9.340 258 HG1 THR 35 1HG THR 35 3.436 5.137 7.138 259 HG21 THR 35 3HG2 THR 35 4.945 7.375 8.005 260 HG22 THR 35 1HG2 THR 35 4.634 7.092 9.715 261 HG23 THR 35 2HG2 THR 35 3.344 6.859 8.536 262 H LYS 36 H LYS 36 7.594 3.547 7.110 263 HA LYS 36 HA LYS 36 7.585 1.390 9.120 264 HB2 LYS 36 2HB LYS 36 6.994 1.244 6.171 265 HB3 LYS 36 1HB LYS 36 7.508 -0.172 7.080 266 HG2 LYS 36 2HG LYS 36 5.446 -0.500 7.813 267 HG3 LYS 36 1HG LYS 36 5.376 1.139 8.470 268 HD2 LYS 36 2HD LYS 36 4.945 1.837 6.010 269 HD3 LYS 36 1HD LYS 36 4.523 0.136 5.778 270 HE2 LYS 36 2HE LYS 36 2.529 1.413 6.257 271 HE3 LYS 36 1HE LYS 36 2.877 0.332 7.603 272 HZ1 LYS 36 3HZ LYS 36 3.750 2.136 8.859 273 HZ2 LYS 36 1HZ LYS 36 2.236 2.620 8.273 274 HZ3 LYS 36 2HZ LYS 36 3.655 3.195 7.542 275 H ASN 37 H ASN 37 9.483 3.512 7.822 276 HA ASN 37 HA ASN 37 11.710 3.760 7.555 277 HB2 ASN 37 2HB ASN 37 11.798 2.140 9.519 278 HB3 ASN 37 1HB ASN 37 12.078 0.865 8.338 279 HD21 ASN 37 1HD2 ASN 37 14.091 0.488 9.352 280 HD22 ASN 37 2HD2 ASN 37 15.448 1.514 9.047 281 H TYR 38 H TYR 38 13.608 2.904 6.250 282 HA TYR 38 HA TYR 38 12.597 2.204 3.634 283 HB2 TYR 38 2HB TYR 38 15.392 2.825 4.622 284 HB3 TYR 38 1HB TYR 38 14.978 2.531 2.938 285 HD1 TYR 38 2HD TYR 38 14.752 4.884 5.726 286 HD2 TYR 38 1HD TYR 38 13.767 4.209 1.644 287 HE1 TYR 38 2HE TYR 38 14.266 7.275 5.453 288 HE2 TYR 38 1HE TYR 38 13.281 6.605 1.361 289 HH TYR 38 HH TYR 38 14.199 8.944 3.609 290 H ASP 39 H ASP 39 12.326 0.122 5.562 291 HA ASP 39 HA ASP 39 14.445 -1.791 5.090 292 HB2 ASP 39 2HB ASP 39 13.121 -1.615 7.256 293 HB3 ASP 39 1HB ASP 39 11.774 -2.346 6.385 294 H ILE 40 H ILE 40 14.559 -2.615 3.144 295 HA ILE 40 HA ILE 40 12.500 -2.822 1.268 296 HB ILE 40 HB ILE 40 14.997 -4.524 1.390 297 HG12 ILE 40 2HG1 ILE 40 14.633 -1.866 -0.003 298 HG13 ILE 40 1HG1 ILE 40 15.357 -2.026 1.593 299 HG21 ILE 40 1HG2 ILE 40 13.378 -5.318 -0.239 300 HG22 ILE 40 2HG2 ILE 40 14.758 -4.592 -1.059 301 HG23 ILE 40 3HG2 ILE 40 13.243 -3.698 -0.925 302 HD11 ILE 40 3HD1 ILE 40 16.392 -3.270 -0.943 303 HD12 ILE 40 1HD1 ILE 40 17.134 -3.392 0.651 304 HD13 ILE 40 2HD1 ILE 40 17.037 -1.829 -0.158 305 H GLY 41 H GLY 41 13.711 -5.172 3.614 306 HA2 GLY 41 2HA GLY 41 12.300 -7.421 2.685 307 HA3 GLY 41 1HA GLY 41 12.899 -7.195 4.317 308 H ALA 42 H ALA 42 11.515 -5.246 5.398 309 HA ALA 42 HA ALA 42 9.023 -6.382 5.987 310 HB1 ALA 42 1HB ALA 42 8.560 -4.345 7.227 311 HB2 ALA 42 2HB ALA 42 9.902 -3.532 6.423 312 HB3 ALA 42 3HB ALA 42 10.215 -4.882 7.515 313 H ALA 43 H ALA 43 9.925 -3.831 3.719 314 HA ALA 43 HA ALA 43 7.362 -2.904 3.076 315 HB1 ALA 43 1HB ALA 43 9.423 -1.760 2.410 316 HB2 ALA 43 2HB ALA 43 8.356 -2.039 1.034 317 HB3 ALA 43 3HB ALA 43 9.773 -3.063 1.277 318 H LEU 44 H LEU 44 9.322 -5.427 1.491 319 HA LEU 44 HA LEU 44 7.339 -6.144 -0.414 320 HB2 LEU 44 2HB LEU 44 9.942 -7.174 0.477 321 HB3 LEU 44 1HB LEU 44 8.855 -8.401 -0.138 322 HG LEU 44 HG LEU 44 8.657 -7.161 -2.258 323 HD11 LEU 44 1HD1 LEU 44 10.717 -5.329 -1.049 324 HD12 LEU 44 2HD1 LEU 44 9.041 -4.914 -1.405 325 HD13 LEU 44 3HD1 LEU 44 10.156 -5.292 -2.719 326 HD21 LEU 44 3HD2 LEU 44 10.271 -8.854 -2.314 327 HD22 LEU 44 1HD2 LEU 44 11.373 -7.957 -1.268 328 HD23 LEU 44 2HD2 LEU 44 11.113 -7.433 -2.932 329 H ASP 45 H ASP 45 8.066 -7.196 2.832 330 HA ASP 45 HA ASP 45 6.426 -9.516 2.833 331 HB2 ASP 45 2HB ASP 45 8.360 -8.852 4.412 332 HB3 ASP 45 1HB ASP 45 7.130 -7.957 5.302 333 H THR 46 H THR 46 5.842 -6.147 3.517 334 HA THR 46 HA THR 46 3.434 -6.378 4.935 335 HB THR 46 HB THR 46 4.308 -4.132 3.104 336 HG1 THR 46 1HG THR 46 5.755 -4.636 4.873 337 HG21 THR 46 3HG2 THR 46 2.824 -2.735 4.532 338 HG22 THR 46 1HG2 THR 46 2.226 -4.209 5.291 339 HG23 THR 46 2HG2 THR 46 1.945 -3.928 3.574 340 H ILE 47 H ILE 47 4.074 -6.489 1.463 341 HA ILE 47 HA ILE 47 1.174 -6.707 1.011 342 HB ILE 47 HB ILE 47 1.622 -6.270 -1.357 343 HG12 ILE 47 2HG1 ILE 47 4.470 -5.660 -0.569 344 HG13 ILE 47 1HG1 ILE 47 3.988 -7.216 -1.237 345 HG21 ILE 47 1HG2 ILE 47 2.345 -3.892 -1.100 346 HG22 ILE 47 2HG2 ILE 47 2.735 -4.246 0.584 347 HG23 ILE 47 3HG2 ILE 47 1.071 -4.382 0.016 348 HD11 ILE 47 3HD1 ILE 47 3.205 -6.096 -3.263 349 HD12 ILE 47 1HD1 ILE 47 4.912 -5.779 -2.952 350 HD13 ILE 47 2HD1 ILE 47 3.706 -4.545 -2.591 351 H GLN 48 H GLN 48 3.551 -8.698 1.686 352 HA GLN 48 HA GLN 48 3.872 -10.923 1.530 353 HB2 GLN 48 2HB GLN 48 1.182 -10.681 0.301 354 HB3 GLN 48 1HB GLN 48 2.055 -12.186 0.051 355 HG2 GLN 48 2HG GLN 48 1.359 -10.954 2.708 356 HG3 GLN 48 1HG GLN 48 0.556 -12.327 1.950 357 HE21 GLN 48 1HE2 GLN 48 0.987 -13.859 3.415 358 HE22 GLN 48 2HE2 GLN 48 2.574 -14.402 3.835 359 H TYR 49 H TYR 49 3.103 -9.392 -1.568 360 HA TYR 49 HA TYR 49 4.361 -11.335 -3.196 361 HB2 TYR 49 2HB TYR 49 3.879 -8.400 -3.751 362 HB3 TYR 49 1HB TYR 49 4.344 -9.596 -4.953 363 HD1 TYR 49 1HD TYR 49 2.731 -11.608 -5.270 364 HD2 TYR 49 2HD TYR 49 1.631 -7.978 -3.342 365 HE1 TYR 49 1HE TYR 49 0.356 -12.109 -5.684 366 HE2 TYR 49 2HE TYR 49 -0.742 -8.471 -3.744 367 HH TYR 49 HH TYR 49 -2.145 -9.771 -5.153 368 H SER 50 H SER 50 6.298 -11.715 -1.948 369 HA SER 50 HA SER 50 8.364 -9.654 -2.182 370 HB2 SER 50 2HB SER 50 8.725 -12.294 -0.784 371 HB3 SER 50 1HB SER 50 9.522 -10.753 -0.461 372 HG SER 50 HG SER 50 6.974 -10.296 -0.112 373 H LYS 51 H LYS 51 7.354 -12.586 -3.634 374 HA LYS 51 HA LYS 51 9.964 -12.836 -4.970 375 HB2 LYS 51 2HB LYS 51 7.850 -14.961 -4.594 376 HB3 LYS 51 1HB LYS 51 9.397 -15.179 -5.400 377 HG2 LYS 51 2HG LYS 51 10.412 -14.425 -3.145 378 HG3 LYS 51 1HG LYS 51 8.819 -14.812 -2.492 379 HD2 LYS 51 2HD LYS 51 10.085 -16.773 -2.215 380 HD3 LYS 51 1HD LYS 51 9.079 -17.074 -3.631 381 HE2 LYS 51 2HE LYS 51 10.907 -16.638 -5.108 382 HE3 LYS 51 1HE LYS 51 11.916 -16.074 -3.779 383 HZ1 LYS 51 3HZ LYS 51 10.882 -18.842 -4.017 384 HZ2 LYS 51 1HZ LYS 51 12.001 -18.266 -2.888 385 HZ3 LYS 51 2HZ LYS 51 12.422 -18.361 -4.524 386 H HIS 52 H HIS 52 6.607 -13.794 -5.646 387 HA HIS 52 HA HIS 52 6.236 -12.061 -7.826 388 HB2 HIS 52 2HB HIS 52 7.942 -13.940 -8.646 389 HB3 HIS 52 1HB HIS 52 6.457 -14.871 -8.827 390 HD1 HIS 52 1HD HIS 52 4.827 -14.146 -10.689 391 HD2 HIS 52 2HD HIS 52 8.269 -11.835 -10.443 392 HE1 HIS 52 1HE HIS 52 4.882 -12.793 -12.806 393 HE2 HIS 52 2HE HIS 52 6.876 -11.268 -12.546 394 H1 GLY 1 1HT GLY 1 -19.141 19.559 1.660 395 H2 GLY 1 2HT GLY 1 -17.735 18.629 1.792 396 H3 GLY 1 3HT GLY 1 -18.141 19.724 3.017 397 HA2 GLY 1 1HA GLY 1 -18.649 17.487 3.724 398 HA3 GLY 1 2HA GLY 1 -20.119 18.435 3.538 399 H SER 2 H SER 2 -21.065 16.213 3.410 400 HA SER 2 HA SER 2 -20.757 15.064 0.720 401 HB2 SER 2 2HB SER 2 -22.097 13.758 3.093 402 HB3 SER 2 1HB SER 2 -21.542 12.990 1.606 403 HG SER 2 HG SER 2 -20.043 13.961 3.782 404 HA PRO 3 HA PRO 3 -24.864 16.987 0.313 405 HB2 PRO 3 2HB PRO 3 -24.699 17.514 -2.303 406 HB3 PRO 3 1HB PRO 3 -23.816 18.486 -1.122 407 HG2 PRO 3 2HG PRO 3 -22.821 16.271 -2.872 408 HG3 PRO 3 1HG PRO 3 -22.063 17.831 -2.500 409 HD2 PRO 3 2HD PRO 3 -21.411 15.468 -1.262 410 HD3 PRO 3 1HD PRO 3 -21.181 17.069 -0.533 411 HA PRO 4 HA PRO 4 -27.325 13.631 -1.254 412 HB2 PRO 4 2HB PRO 4 -28.722 15.489 -3.093 413 HB3 PRO 4 1HB PRO 4 -29.381 14.473 -1.808 414 HG2 PRO 4 2HG PRO 4 -29.189 17.112 -1.493 415 HG3 PRO 4 1HG PRO 4 -28.857 16.007 -0.146 416 HD2 PRO 4 2HD PRO 4 -26.939 17.483 -1.908 417 HD3 PRO 4 1HD PRO 4 -26.872 17.204 -0.154 418 H GLU 5 H GLU 5 -25.470 15.547 -3.367 419 HA GLU 5 HA GLU 5 -25.977 14.214 -5.823 420 HB2 GLU 5 2HB GLU 5 -23.524 15.739 -4.930 421 HB3 GLU 5 1HB GLU 5 -23.932 15.326 -6.589 422 HG2 GLU 5 2HG GLU 5 -25.740 17.000 -4.881 423 HG3 GLU 5 1HG GLU 5 -24.412 17.698 -5.806 424 H ALA 6 H ALA 6 -24.050 13.529 -3.043 425 HA ALA 6 HA ALA 6 -22.425 11.544 -4.421 426 HB1 ALA 6 1HB ALA 6 -22.461 12.290 -1.498 427 HB2 ALA 6 2HB ALA 6 -21.399 13.001 -2.713 428 HB3 ALA 6 3HB ALA 6 -21.260 11.289 -2.312 429 H ASP 7 H ASP 7 -22.748 9.410 -4.348 430 HA ASP 7 HA ASP 7 -25.253 8.399 -3.460 431 HB2 ASP 7 2HB ASP 7 -23.859 7.565 -5.424 432 HB3 ASP 7 1HB ASP 7 -22.846 6.753 -4.237 433 HA PRO 8 HA PRO 8 -24.142 7.635 0.780 434 HB2 PRO 8 2HB PRO 8 -26.182 5.879 1.331 435 HB3 PRO 8 1HB PRO 8 -26.355 7.636 1.323 436 HG2 PRO 8 2HG PRO 8 -27.064 5.650 -0.796 437 HG3 PRO 8 1HG PRO 8 -27.956 7.085 -0.258 438 HD2 PRO 8 2HD PRO 8 -26.499 7.078 -2.519 439 HD3 PRO 8 1HD PRO 8 -26.640 8.525 -1.498 440 H ARG 9 H ARG 9 -24.567 5.122 -1.607 441 HA ARG 9 HA ARG 9 -23.394 3.086 0.107 442 HB2 ARG 9 2HB ARG 9 -24.183 2.954 -2.810 443 HB3 ARG 9 1HB ARG 9 -23.740 1.587 -1.791 444 HG2 ARG 9 2HG ARG 9 -25.717 1.650 -0.618 445 HG3 ARG 9 1HG ARG 9 -26.001 3.355 -0.985 446 HD2 ARG 9 2HD ARG 9 -26.134 1.112 -2.990 447 HD3 ARG 9 1HD ARG 9 -27.526 1.821 -2.175 448 HE ARG 9 HE ARG 9 -25.895 3.752 -3.561 449 HH11 ARG 9 1HH1 ARG 9 -28.540 1.473 -3.845 450 HH12 ARG 9 2HH1 ARG 9 -29.236 2.247 -5.231 451 HH21 ARG 9 1HH2 ARG 9 -26.803 4.782 -5.386 452 HH22 ARG 9 2HH2 ARG 9 -28.260 4.146 -6.100 453 H LEU 10 H LEU 10 -22.459 5.342 -2.322 454 HA LEU 10 HA LEU 10 -20.018 4.058 -3.075 455 HB2 LEU 10 2HB LEU 10 -21.094 5.640 -4.572 456 HB3 LEU 10 1HB LEU 10 -20.950 6.914 -3.378 457 HG LEU 10 HG LEU 10 -18.421 6.598 -3.579 458 HD11 LEU 10 1HD1 LEU 10 -17.616 5.648 -5.669 459 HD12 LEU 10 2HD1 LEU 10 -19.262 5.195 -6.114 460 HD13 LEU 10 3HD1 LEU 10 -18.482 4.432 -4.729 461 HD21 LEU 10 3HD2 LEU 10 -19.991 7.627 -5.937 462 HD22 LEU 10 1HD2 LEU 10 -18.319 8.032 -5.555 463 HD23 LEU 10 2HD2 LEU 10 -19.616 8.526 -4.466 464 H ILE 11 H ILE 11 -20.914 6.626 -0.819 465 HA ILE 11 HA ILE 11 -18.243 7.156 0.020 466 HB ILE 11 HB ILE 11 -20.137 8.778 0.250 467 HG12 ILE 11 2HG1 ILE 11 -18.770 8.158 2.872 468 HG13 ILE 11 1HG1 ILE 11 -17.971 8.939 1.511 469 HG21 ILE 11 1HG2 ILE 11 -21.662 8.601 2.129 470 HG22 ILE 11 2HG2 ILE 11 -20.939 7.063 2.599 471 HG23 ILE 11 3HG2 ILE 11 -21.826 7.192 1.079 472 HD11 ILE 11 3HD1 ILE 11 -19.498 10.804 1.657 473 HD12 ILE 11 1HD1 ILE 11 -18.708 10.536 3.212 474 HD13 ILE 11 2HD1 ILE 11 -20.375 10.011 2.967 475 H GLU 12 H GLU 12 -20.624 4.810 0.849 476 HA GLU 12 HA GLU 12 -19.656 4.116 3.423 477 HB2 GLU 12 2HB GLU 12 -21.568 2.950 1.479 478 HB3 GLU 12 1HB GLU 12 -20.876 1.849 2.662 479 HG2 GLU 12 2HG GLU 12 -22.401 4.373 3.256 480 HG3 GLU 12 1HG GLU 12 -22.977 2.719 3.462 481 H SER 13 H SER 13 -18.436 3.550 0.302 482 HA SER 13 HA SER 13 -17.168 1.054 0.762 483 HB2 SER 13 2HB SER 13 -16.309 3.244 -1.147 484 HB3 SER 13 1HB SER 13 -15.903 1.530 -1.252 485 HG SER 13 HG SER 13 -18.587 1.914 -1.111 486 H LEU 14 H LEU 14 -16.415 4.341 1.580 487 HA LEU 14 HA LEU 14 -13.639 3.902 2.170 488 HB2 LEU 14 2HB LEU 14 -15.408 6.115 3.215 489 HB3 LEU 14 1HB LEU 14 -13.663 6.133 3.064 490 HG LEU 14 HG LEU 14 -15.432 5.918 0.643 491 HD11 LEU 14 1HD1 LEU 14 -15.282 8.330 0.387 492 HD12 LEU 14 2HD1 LEU 14 -14.461 8.460 1.943 493 HD13 LEU 14 3HD1 LEU 14 -16.135 7.907 1.872 494 HD21 LEU 14 3HD2 LEU 14 -12.622 6.915 1.065 495 HD22 LEU 14 1HD2 LEU 14 -13.485 6.881 -0.473 496 HD23 LEU 14 2HD2 LEU 14 -13.088 5.373 0.349 497 H SER 15 H SER 15 -16.616 4.273 4.053 498 HA SER 15 HA SER 15 -15.465 3.881 6.593 499 HB2 SER 15 2HB SER 15 -18.167 3.020 6.633 500 HB3 SER 15 1HB SER 15 -17.527 4.590 7.121 501 HG SER 15 HG SER 15 -19.200 4.436 5.323 502 H GLN 16 H GLN 16 -16.598 1.692 4.126 503 HA GLN 16 HA GLN 16 -16.931 -0.646 5.625 504 HB2 GLN 16 2HB GLN 16 -17.613 -0.428 3.265 505 HB3 GLN 16 1HB GLN 16 -15.923 -0.355 2.786 506 HG2 GLN 16 2HG GLN 16 -16.839 -2.557 2.376 507 HG3 GLN 16 1HG GLN 16 -15.586 -2.628 3.613 508 HE21 GLN 16 1HE2 GLN 16 -16.331 -4.507 4.518 509 HE22 GLN 16 2HE2 GLN 16 -17.798 -4.597 5.425 510 H MET 17 H MET 17 -14.047 0.699 4.051 511 HA MET 17 HA MET 17 -12.285 -1.403 4.697 512 HB2 MET 17 2HB MET 17 -11.696 1.536 4.250 513 HB3 MET 17 1HB MET 17 -10.489 0.257 4.278 514 HG2 MET 17 2HG MET 17 -12.760 0.474 2.312 515 HG3 MET 17 1HG MET 17 -11.089 0.943 2.003 516 HE1 MET 17 3HE MET 17 -9.242 -0.627 1.275 517 HE2 MET 17 1HE MET 17 -9.183 -2.340 1.686 518 HE3 MET 17 2HE MET 17 -9.176 -1.127 2.966 519 H LEU 18 H LEU 18 -13.147 1.582 6.368 520 HA LEU 18 HA LEU 18 -11.329 1.347 8.505 521 HB2 LEU 18 2HB LEU 18 -12.651 3.390 7.814 522 HB3 LEU 18 1HB LEU 18 -14.043 2.669 8.599 523 HG LEU 18 HG LEU 18 -12.759 2.670 10.743 524 HD11 LEU 18 1HD1 LEU 18 -10.798 4.327 9.162 525 HD12 LEU 18 2HD1 LEU 18 -10.504 2.716 9.816 526 HD13 LEU 18 3HD1 LEU 18 -10.770 4.076 10.907 527 HD21 LEU 18 3HD2 LEU 18 -14.377 4.420 10.222 528 HD22 LEU 18 1HD2 LEU 18 -13.115 5.353 9.414 529 HD23 LEU 18 2HD2 LEU 18 -13.020 5.059 11.151 530 H SER 19 H SER 19 -14.629 0.149 8.053 531 HA SER 19 HA SER 19 -14.971 -0.824 10.697 532 HB2 SER 19 2HB SER 19 -16.392 -1.188 8.096 533 HB3 SER 19 1HB SER 19 -16.730 -2.329 9.396 534 HG SER 19 HG SER 19 -17.161 -0.457 10.730 535 H MET 20 H MET 20 -13.350 -2.083 7.911 536 HA MET 20 HA MET 20 -13.291 -4.802 8.903 537 HB2 MET 20 2HB MET 20 -12.070 -3.403 6.538 538 HB3 MET 20 1HB MET 20 -11.560 -5.025 6.983 539 HG2 MET 20 2HG MET 20 -14.369 -4.194 6.293 540 HG3 MET 20 1HG MET 20 -13.256 -5.052 5.235 541 HE1 MET 20 3HE MET 20 -11.875 -7.098 7.403 542 HE2 MET 20 1HE MET 20 -12.321 -7.450 5.732 543 HE3 MET 20 2HE MET 20 -12.881 -8.501 7.031 544 H GLY 21 H GLY 21 -11.663 -1.968 9.588 545 HA2 GLY 21 2HA GLY 21 -10.052 -1.810 11.316 546 HA3 GLY 21 1HA GLY 21 -9.561 -3.462 10.977 547 H PHE 22 H PHE 22 -9.992 -1.207 8.370 548 HA PHE 22 HA PHE 22 -7.083 -1.239 7.962 549 HB2 PHE 22 2HB PHE 22 -9.012 -2.048 6.243 550 HB3 PHE 22 1HB PHE 22 -8.857 -0.365 5.763 551 HD1 PHE 22 2HD PHE 22 -6.220 0.366 5.654 552 HD2 PHE 22 1HD PHE 22 -7.813 -3.523 4.990 553 HE1 PHE 22 2HE PHE 22 -4.248 -0.205 4.300 554 HE2 PHE 22 1HE PHE 22 -5.843 -4.105 3.634 555 HZ PHE 22 HZ PHE 22 -4.055 -2.439 3.288 556 H SER 23 H SER 23 -6.003 0.569 8.254 557 HA SER 23 HA SER 23 -7.040 3.137 7.481 558 HB2 SER 23 2HB SER 23 -6.179 3.751 10.055 559 HB3 SER 23 1HB SER 23 -7.855 3.715 9.509 560 HG SER 23 HG SER 23 -6.898 1.237 10.131 561 H ASP 24 H ASP 24 -5.332 4.645 7.183 562 HA ASP 24 HA ASP 24 -2.661 3.515 7.668 563 HB2 ASP 24 2HB ASP 24 -1.968 3.937 5.544 564 HB3 ASP 24 1HB ASP 24 -3.679 3.697 5.224 565 H GLU 25 H GLU 25 -0.948 5.442 7.245 566 HA GLU 25 HA GLU 25 -1.759 7.497 9.176 567 HB2 GLU 25 2HB GLU 25 1.108 7.033 8.486 568 HB3 GLU 25 1HB GLU 25 0.390 7.548 10.004 569 HG2 GLU 25 2HG GLU 25 0.949 5.453 10.612 570 HG3 GLU 25 1HG GLU 25 -0.621 5.089 9.902 571 H GLY 26 H GLY 26 0.482 7.266 6.407 572 HA2 GLY 26 2HA GLY 26 0.748 10.064 6.100 573 HA3 GLY 26 1HA GLY 26 1.218 8.858 4.921 574 H GLY 27 H GLY 27 -1.792 8.014 5.094 575 HA2 GLY 27 2HA GLY 27 -3.831 8.882 4.249 576 HA3 GLY 27 1HA GLY 27 -2.955 10.269 3.611 577 H TRP 28 H TRP 28 -2.107 6.860 3.253 578 HA TRP 28 HA TRP 28 -2.177 7.277 0.360 579 HB2 TRP 28 2HB TRP 28 -0.748 5.412 0.105 580 HB3 TRP 28 1HB TRP 28 -0.109 6.354 1.440 581 HD1 TRP 28 HD TRP 28 -0.157 5.225 3.866 582 HE1 TRP 28 1HE TRP 28 -0.404 2.777 4.617 583 HE3 TRP 28 3HE TRP 28 -1.897 3.199 -0.494 584 HZ2 TRP 28 2HZ TRP 28 -1.208 0.309 3.510 585 HZ3 TRP 28 3HZ TRP 28 -2.374 0.788 -0.566 586 HH2 TRP 28 HH TRP 28 -2.034 -0.628 1.393 587 H LEU 29 H LEU 29 -3.907 5.590 2.839 588 HA LEU 29 HA LEU 29 -5.065 3.598 1.156 589 HB2 LEU 29 2HB LEU 29 -5.071 3.405 3.604 590 HB3 LEU 29 1HB LEU 29 -6.105 4.815 3.719 591 HG LEU 29 HG LEU 29 -7.863 3.547 2.470 592 HD11 LEU 29 1HD1 LEU 29 -6.424 1.916 1.374 593 HD12 LEU 29 2HD1 LEU 29 -7.666 1.121 2.340 594 HD13 LEU 29 3HD1 LEU 29 -6.012 1.215 2.939 595 HD21 LEU 29 3HD2 LEU 29 -6.865 2.500 5.107 596 HD22 LEU 29 1HD2 LEU 29 -8.416 2.045 4.404 597 HD23 LEU 29 2HD2 LEU 29 -8.099 3.729 4.822 598 H THR 30 H THR 30 -6.082 6.804 2.230 599 HA THR 30 HA THR 30 -8.548 6.795 0.805 600 HB THR 30 HB THR 30 -8.162 8.277 2.746 601 HG1 THR 30 1HG THR 30 -9.366 9.891 1.919 602 HG21 THR 30 3HG2 THR 30 -6.316 9.783 0.894 603 HG22 THR 30 1HG2 THR 30 -5.826 8.864 2.320 604 HG23 THR 30 2HG2 THR 30 -6.822 10.308 2.499 605 H ARG 31 H ARG 31 -5.313 7.181 -0.137 606 HA ARG 31 HA ARG 31 -5.911 8.768 -2.504 607 HB2 ARG 31 2HB ARG 31 -3.718 8.645 -0.905 608 HB3 ARG 31 1HB ARG 31 -3.238 7.544 -2.187 609 HG2 ARG 31 2HG ARG 31 -3.604 9.286 -3.848 610 HG3 ARG 31 1HG ARG 31 -4.128 10.395 -2.579 611 HD2 ARG 31 2HD ARG 31 -1.399 9.148 -2.861 612 HD3 ARG 31 1HD ARG 31 -1.820 10.829 -3.178 613 HE ARG 31 HE ARG 31 -2.436 10.002 -0.496 614 HH11 ARG 31 1HH1 ARG 31 0.126 11.129 -2.601 615 HH12 ARG 31 2HH1 ARG 31 1.019 11.879 -1.315 616 HH21 ARG 31 1HH2 ARG 31 -1.224 10.975 1.200 617 HH22 ARG 31 2HH2 ARG 31 0.264 11.779 0.828 618 H LEU 32 H LEU 32 -4.883 5.524 -1.602 619 HA LEU 32 HA LEU 32 -4.478 4.445 -4.144 620 HB2 LEU 32 2HB LEU 32 -3.941 3.447 -1.857 621 HB3 LEU 32 1HB LEU 32 -5.616 2.940 -1.792 622 HG LEU 32 HG LEU 32 -4.997 1.848 -4.133 623 HD11 LEU 32 1HD1 LEU 32 -2.734 2.695 -4.227 624 HD12 LEU 32 2HD1 LEU 32 -2.710 0.940 -4.059 625 HD13 LEU 32 3HD1 LEU 32 -2.365 1.963 -2.666 626 HD21 LEU 32 3HD2 LEU 32 -4.489 -0.240 -2.911 627 HD22 LEU 32 1HD2 LEU 32 -5.877 0.625 -2.252 628 HD23 LEU 32 2HD2 LEU 32 -4.321 0.702 -1.429 629 H LEU 33 H LEU 33 -7.406 4.901 -2.273 630 HA LEU 33 HA LEU 33 -9.082 3.324 -3.943 631 HB2 LEU 33 2HB LEU 33 -9.772 5.510 -1.983 632 HB3 LEU 33 1HB LEU 33 -10.928 4.418 -2.722 633 HG LEU 33 HG LEU 33 -8.677 3.566 -0.900 634 HD11 LEU 33 1HD1 LEU 33 -10.472 3.153 0.731 635 HD12 LEU 33 2HD1 LEU 33 -11.628 3.897 -0.373 636 HD13 LEU 33 3HD1 LEU 33 -10.321 4.860 0.319 637 HD21 LEU 33 3HD2 LEU 33 -9.351 1.857 -2.523 638 HD22 LEU 33 1HD2 LEU 33 -11.025 2.025 -1.997 639 HD23 LEU 33 2HD2 LEU 33 -9.805 1.410 -0.879 640 H GLN 34 H GLN 34 -7.624 6.300 -4.483 641 HA GLN 34 HA GLN 34 -9.811 7.281 -6.165 642 HB2 GLN 34 2HB GLN 34 -7.114 8.591 -5.777 643 HB3 GLN 34 1HB GLN 34 -8.597 9.323 -6.369 644 HG2 GLN 34 2HG GLN 34 -8.050 8.389 -3.562 645 HG3 GLN 34 1HG GLN 34 -8.125 10.056 -4.120 646 HE21 GLN 34 1HE2 GLN 34 -9.641 8.659 -2.060 647 HE22 GLN 34 2HE2 GLN 34 -11.310 8.857 -2.482 648 H THR 35 H THR 35 -6.509 6.063 -6.385 649 HA THR 35 HA THR 35 -6.460 6.354 -9.265 650 HB THR 35 HB THR 35 -4.244 4.996 -8.884 651 HG1 THR 35 1HG THR 35 -3.485 5.051 -6.827 652 HG21 THR 35 3HG2 THR 35 -4.586 7.837 -7.918 653 HG22 THR 35 1HG2 THR 35 -4.364 7.336 -9.596 654 HG23 THR 35 2HG2 THR 35 -3.069 7.093 -8.424 655 H LYS 36 H LYS 36 -6.990 3.802 -6.916 656 HA LYS 36 HA LYS 36 -7.209 1.880 -9.136 657 HB2 LYS 36 2HB LYS 36 -6.677 1.392 -6.199 658 HB3 LYS 36 1HB LYS 36 -6.901 0.124 -7.399 659 HG2 LYS 36 2HG LYS 36 -4.939 0.918 -8.616 660 HG3 LYS 36 1HG LYS 36 -4.713 2.199 -7.425 661 HD2 LYS 36 2HD LYS 36 -4.269 0.589 -5.704 662 HD3 LYS 36 1HD LYS 36 -4.694 -0.745 -6.777 663 HE2 LYS 36 2HE LYS 36 -2.288 -0.573 -6.612 664 HE3 LYS 36 1HE LYS 36 -2.805 -0.140 -8.241 665 HZ1 LYS 36 3HZ LYS 36 -2.594 2.204 -7.631 666 HZ2 LYS 36 1HZ LYS 36 -1.130 1.384 -7.423 667 HZ3 LYS 36 2HZ LYS 36 -2.079 1.771 -6.084 668 H ASN 37 H ASN 37 -9.158 3.854 -7.685 669 HA ASN 37 HA ASN 37 -11.417 3.988 -7.471 670 HB2 ASN 37 2HB ASN 37 -11.452 2.506 -9.476 671 HB3 ASN 37 1HB ASN 37 -11.484 1.112 -8.406 672 HD21 ASN 37 1HD2 ASN 37 -13.430 0.404 -9.214 673 HD22 ASN 37 2HD2 ASN 37 -14.929 1.190 -8.858 674 H TYR 38 H TYR 38 -13.296 3.004 -6.232 675 HA TYR 38 HA TYR 38 -12.301 2.202 -3.627 676 HB2 TYR 38 2HB TYR 38 -15.186 2.697 -4.345 677 HB3 TYR 38 1HB TYR 38 -14.412 2.843 -2.772 678 HD1 TYR 38 1HD TYR 38 -12.931 4.785 -2.304 679 HD2 TYR 38 2HD TYR 38 -15.194 4.499 -5.891 680 HE1 TYR 38 1HE TYR 38 -12.615 7.193 -2.690 681 HE2 TYR 38 2HE TYR 38 -14.881 6.901 -6.289 682 HH TYR 38 HH TYR 38 -12.609 8.732 -4.827 683 H ASP 39 H ASP 39 -12.115 0.229 -5.685 684 HA ASP 39 HA ASP 39 -14.275 -1.658 -5.276 685 HB2 ASP 39 2HB ASP 39 -13.056 -1.409 -7.475 686 HB3 ASP 39 1HB ASP 39 -11.640 -2.110 -6.699 687 H ILE 40 H ILE 40 -14.352 -2.667 -3.399 688 HA ILE 40 HA ILE 40 -12.225 -2.953 -1.586 689 HB ILE 40 HB ILE 40 -14.680 -4.702 -1.652 690 HG12 ILE 40 2HG1 ILE 40 -14.488 -2.039 -0.254 691 HG13 ILE 40 1HG1 ILE 40 -15.111 -2.179 -1.894 692 HG21 ILE 40 1HG2 ILE 40 -12.995 -5.355 -0.031 693 HG22 ILE 40 2HG2 ILE 40 -14.408 -4.696 0.790 694 HG23 ILE 40 3HG2 ILE 40 -12.952 -3.715 0.613 695 HD11 ILE 40 3HD1 ILE 40 -16.243 -3.569 0.522 696 HD12 ILE 40 1HD1 ILE 40 -16.880 -3.643 -1.120 697 HD13 ILE 40 2HD1 ILE 40 -16.898 -2.118 -0.236 698 H GLY 41 H GLY 41 -13.448 -5.047 -4.116 699 HA2 GLY 41 2HA GLY 41 -12.123 -7.423 -3.365 700 HA3 GLY 41 1HA GLY 41 -12.666 -7.022 -4.989 701 H ALA 42 H ALA 42 -11.191 -4.902 -5.693 702 HA ALA 42 HA ALA 42 -8.662 -6.045 -6.277 703 HB1 ALA 42 1HB ALA 42 -8.169 -3.927 -7.373 704 HB2 ALA 42 2HB ALA 42 -9.570 -3.186 -6.600 705 HB3 ALA 42 3HB ALA 42 -9.796 -4.476 -7.781 706 H ALA 43 H ALA 43 -9.760 -3.720 -3.886 707 HA ALA 43 HA ALA 43 -7.303 -2.691 -3.059 708 HB1 ALA 43 1HB ALA 43 -9.724 -3.190 -1.335 709 HB2 ALA 43 2HB ALA 43 -9.496 -1.792 -2.385 710 HB3 ALA 43 3HB ALA 43 -8.419 -2.051 -1.012 711 H LEU 44 H LEU 44 -9.119 -5.433 -1.667 712 HA LEU 44 HA LEU 44 -7.084 -6.117 0.192 713 HB2 LEU 44 2HB LEU 44 -9.644 -7.267 -0.718 714 HB3 LEU 44 1HB LEU 44 -8.492 -8.415 -0.069 715 HG LEU 44 HG LEU 44 -8.369 -7.037 2.009 716 HD11 LEU 44 1HD1 LEU 44 -10.079 -5.372 2.429 717 HD12 LEU 44 2HD1 LEU 44 -10.712 -5.579 0.797 718 HD13 LEU 44 3HD1 LEU 44 -9.098 -4.909 1.040 719 HD21 LEU 44 3HD2 LEU 44 -11.100 -8.066 1.241 720 HD22 LEU 44 1HD2 LEU 44 -10.534 -7.766 2.884 721 HD23 LEU 44 2HD2 LEU 44 -9.772 -9.018 1.906 722 H ASP 45 H ASP 45 -7.799 -7.094 -3.086 723 HA ASP 45 HA ASP 45 -6.119 -9.371 -3.210 724 HB2 ASP 45 2HB ASP 45 -7.925 -8.901 -4.833 725 HB3 ASP 45 1HB ASP 45 -7.011 -7.524 -5.437 726 H THR 46 H THR 46 -5.592 -5.958 -3.824 727 HA THR 46 HA THR 46 -3.160 -5.998 -5.139 728 HB THR 46 HB THR 46 -4.234 -3.974 -3.170 729 HG1 THR 46 1HG THR 46 -5.515 -4.167 -5.015 730 HG21 THR 46 3HG2 THR 46 -2.663 -2.381 -4.189 731 HG22 THR 46 1HG2 THR 46 -1.955 -3.691 -5.132 732 HG23 THR 46 2HG2 THR 46 -1.814 -3.693 -3.374 733 H ILE 47 H ILE 47 -3.732 -6.202 -1.633 734 HA ILE 47 HA ILE 47 -0.830 -6.349 -1.234 735 HB ILE 47 HB ILE 47 -1.273 -6.046 1.155 736 HG12 ILE 47 2HG1 ILE 47 -4.161 -5.557 0.433 737 HG13 ILE 47 1HG1 ILE 47 -3.591 -7.118 1.011 738 HG21 ILE 47 1HG2 ILE 47 -0.977 -4.134 -0.465 739 HG22 ILE 47 2HG2 ILE 47 -1.775 -3.740 1.057 740 HG23 ILE 47 3HG2 ILE 47 -2.729 -3.930 -0.414 741 HD11 ILE 47 3HD1 ILE 47 -2.814 -6.056 3.075 742 HD12 ILE 47 1HD1 ILE 47 -4.546 -5.835 2.823 743 HD13 ILE 47 2HD1 ILE 47 -3.431 -4.509 2.498 744 H GLN 48 H GLN 48 -3.016 -8.483 -2.018 745 HA GLN 48 HA GLN 48 -3.127 -10.740 -1.948 746 HB2 GLN 48 2HB GLN 48 -0.508 -10.284 -1.369 747 HB3 GLN 48 1HB GLN 48 -1.018 -11.199 0.040 748 HG2 GLN 48 2HG GLN 48 -2.078 -12.524 -2.201 749 HG3 GLN 48 1HG GLN 48 -0.401 -12.132 -2.581 750 HE21 GLN 48 1HE2 GLN 48 0.266 -14.249 -2.488 751 HE22 GLN 48 2HE2 GLN 48 0.397 -15.122 -1.000 752 H TYR 49 H TYR 49 -2.650 -9.249 1.231 753 HA TYR 49 HA TYR 49 -3.784 -11.285 2.785 754 HB2 TYR 49 2HB TYR 49 -3.607 -8.306 3.233 755 HB3 TYR 49 1HB TYR 49 -4.244 -9.420 4.435 756 HD1 TYR 49 1HD TYR 49 -2.767 -11.045 5.533 757 HD2 TYR 49 2HD TYR 49 -1.247 -8.191 2.767 758 HE1 TYR 49 1HE TYR 49 -0.482 -11.489 6.336 759 HE2 TYR 49 2HE TYR 49 1.037 -8.627 3.562 760 HH TYR 49 HH TYR 49 2.232 -9.519 5.346 761 H SER 50 H SER 50 -5.659 -12.150 2.114 762 HA SER 50 HA SER 50 -7.971 -10.334 1.898 763 HB2 SER 50 2HB SER 50 -7.738 -13.025 0.537 764 HB3 SER 50 1HB SER 50 -8.930 -11.759 0.235 765 HG SER 50 HG SER 50 -6.318 -10.943 -0.066 766 H LYS 51 H LYS 51 -6.875 -13.554 2.912 767 HA LYS 51 HA LYS 51 -9.360 -14.148 4.242 768 HB2 LYS 51 2HB LYS 51 -6.689 -15.518 4.086 769 HB3 LYS 51 1HB LYS 51 -7.915 -16.062 5.221 770 HG2 LYS 51 2HG LYS 51 -9.451 -16.491 3.394 771 HG3 LYS 51 1HG LYS 51 -8.270 -15.878 2.234 772 HD2 LYS 51 2HD LYS 51 -8.176 -18.279 2.222 773 HD3 LYS 51 1HD LYS 51 -6.709 -17.662 2.977 774 HE2 LYS 51 2HE LYS 51 -7.711 -18.070 5.194 775 HE3 LYS 51 1HE LYS 51 -9.123 -18.765 4.402 776 HZ1 LYS 51 3HZ LYS 51 -7.732 -20.483 3.468 777 HZ2 LYS 51 1HZ LYS 51 -7.553 -20.455 5.148 778 HZ3 LYS 51 2HZ LYS 51 -6.351 -19.794 4.161 779 H HIS 52 H HIS 52 -6.048 -14.037 5.546 780 HA HIS 52 HA HIS 52 -6.713 -12.150 7.583 781 HB2 HIS 52 2HB HIS 52 -7.712 -14.419 8.349 782 HB3 HIS 52 1HB HIS 52 -6.040 -14.898 8.610 783 HD1 HIS 52 1HD HIS 52 -4.813 -13.896 10.625 784 HD2 HIS 52 2HD HIS 52 -8.680 -12.451 10.138 785 HE1 HIS 52 1HE HIS 52 -5.343 -12.657 12.747 786 HE2 HIS 52 2HE HIS 52 -7.677 -11.765 12.424 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 17.776 18.778 -1.667 2 H2 GLY 1 2HT GLY 1 17.145 17.510 -2.595 3 H3 GLY 1 3HT GLY 1 17.428 19.018 -3.304 4 HA2 GLY 1 1HA GLY 1 19.160 17.538 -3.973 5 HA3 GLY 1 2HA GLY 1 19.812 18.760 -2.894 6 H SER 2 H SER 2 20.892 16.142 -3.463 7 HA SER 2 HA SER 2 20.439 14.667 -0.992 8 HB2 SER 2 2HB SER 2 22.298 13.924 -3.258 9 HB3 SER 2 1HB SER 2 21.629 12.860 -2.019 10 HG SER 2 HG SER 2 20.633 13.312 -4.377 11 HA PRO 3 HA PRO 3 24.040 16.839 0.583 12 HB2 PRO 3 2HB PRO 3 23.698 16.180 3.167 13 HB3 PRO 3 1HB PRO 3 22.705 17.403 2.370 14 HG2 PRO 3 2HG PRO 3 22.055 14.566 3.020 15 HG3 PRO 3 1HG PRO 3 21.022 16.004 3.103 16 HD2 PRO 3 2HD PRO 3 21.000 14.168 1.041 17 HD3 PRO 3 1HD PRO 3 20.435 15.843 0.908 18 HA PRO 4 HA PRO 4 27.007 13.516 0.709 19 HB2 PRO 4 2HB PRO 4 28.753 15.289 2.277 20 HB3 PRO 4 1HB PRO 4 28.995 14.625 0.659 21 HG2 PRO 4 2HG PRO 4 28.477 17.231 1.066 22 HG3 PRO 4 1HG PRO 4 27.882 16.365 -0.361 23 HD2 PRO 4 2HD PRO 4 26.416 17.120 2.140 24 HD3 PRO 4 1HD PRO 4 25.872 17.189 0.453 25 H GLU 5 H GLU 5 25.622 14.955 3.448 26 HA GLU 5 HA GLU 5 26.972 13.298 5.391 27 HB2 GLU 5 2HB GLU 5 24.741 15.313 5.561 28 HB3 GLU 5 1HB GLU 5 25.221 14.332 6.940 29 HG2 GLU 5 2HG GLU 5 26.993 16.235 5.420 30 HG3 GLU 5 1HG GLU 5 26.261 16.528 7.000 31 H ALA 6 H ALA 6 24.589 12.805 3.160 32 HA ALA 6 HA ALA 6 22.953 11.023 4.783 33 HB1 ALA 6 1HB ALA 6 22.795 11.741 1.856 34 HB2 ALA 6 2HB ALA 6 21.805 12.409 3.155 35 HB3 ALA 6 3HB ALA 6 21.651 10.709 2.713 36 H ASP 7 H ASP 7 22.947 8.802 4.585 37 HA ASP 7 HA ASP 7 25.391 7.629 3.729 38 HB2 ASP 7 2HB ASP 7 23.862 6.827 5.627 39 HB3 ASP 7 1HB ASP 7 22.883 6.088 4.363 40 HA PRO 8 HA PRO 8 24.331 7.288 -0.600 41 HB2 PRO 8 2HB PRO 8 26.626 5.405 -0.547 42 HB3 PRO 8 1HB PRO 8 26.346 6.813 -1.576 43 HG2 PRO 8 2HG PRO 8 28.121 6.912 0.404 44 HG3 PRO 8 1HG PRO 8 27.089 8.306 0.030 45 HD2 PRO 8 2HD PRO 8 26.856 6.312 2.247 46 HD3 PRO 8 1HD PRO 8 26.570 8.065 2.267 47 H ARG 9 H ARG 9 24.661 4.653 1.656 48 HA ARG 9 HA ARG 9 23.619 2.693 -0.221 49 HB2 ARG 9 2HB ARG 9 24.290 2.445 2.715 50 HB3 ARG 9 1HB ARG 9 23.848 1.118 1.654 51 HG2 ARG 9 2HG ARG 9 25.856 1.162 0.528 52 HG3 ARG 9 1HG ARG 9 26.177 2.843 0.959 53 HD2 ARG 9 2HD ARG 9 26.163 0.556 2.915 54 HD3 ARG 9 1HD ARG 9 27.612 1.204 2.150 55 HE ARG 9 HE ARG 9 25.936 3.082 3.629 56 HH11 ARG 9 1HH1 ARG 9 28.808 1.072 3.536 57 HH12 ARG 9 2HH1 ARG 9 29.588 1.900 4.843 58 HH21 ARG 9 1HH2 ARG 9 26.960 4.190 5.346 59 HH22 ARG 9 2HH2 ARG 9 28.539 3.671 5.875 60 H LEU 10 H LEU 10 22.604 4.447 2.666 61 HA LEU 10 HA LEU 10 20.119 3.148 2.986 62 HB2 LEU 10 2HB LEU 10 21.211 4.516 4.738 63 HB3 LEU 10 1HB LEU 10 20.873 5.954 3.793 64 HG LEU 10 HG LEU 10 18.427 5.409 3.992 65 HD11 LEU 10 1HD1 LEU 10 17.760 3.884 5.792 66 HD12 LEU 10 2HD1 LEU 10 19.445 3.410 6.006 67 HD13 LEU 10 3HD1 LEU 10 18.611 3.043 4.496 68 HD21 LEU 10 3HD2 LEU 10 18.259 6.186 6.328 69 HD22 LEU 10 1HD2 LEU 10 19.416 7.114 5.375 70 HD23 LEU 10 2HD2 LEU 10 19.990 5.901 6.519 71 H ILE 11 H ILE 11 21.071 6.062 1.225 72 HA ILE 11 HA ILE 11 18.435 6.766 0.440 73 HB ILE 11 HB ILE 11 20.325 8.371 0.464 74 HG12 ILE 11 2HG1 ILE 11 19.050 8.109 -2.269 75 HG13 ILE 11 1HG1 ILE 11 18.241 8.780 -0.855 76 HG21 ILE 11 1HG2 ILE 11 21.851 8.396 -1.513 77 HG22 ILE 11 2HG2 ILE 11 21.252 6.791 -1.921 78 HG23 ILE 11 3HG2 ILE 11 22.112 7.049 -0.404 79 HD11 ILE 11 3HD1 ILE 11 19.962 10.544 -0.754 80 HD12 ILE 11 1HD1 ILE 11 19.048 10.553 -2.264 81 HD13 ILE 11 2HD1 ILE 11 20.680 9.887 -2.226 82 H GLU 12 H GLU 12 20.625 4.374 -0.653 83 HA GLU 12 HA GLU 12 19.644 4.192 -3.330 84 HB2 GLU 12 2HB GLU 12 21.526 2.640 -1.649 85 HB3 GLU 12 1HB GLU 12 20.777 1.792 -2.995 86 HG2 GLU 12 2HG GLU 12 22.471 4.267 -3.107 87 HG3 GLU 12 1HG GLU 12 22.846 2.672 -3.758 88 H SER 13 H SER 13 18.406 3.217 -0.331 89 HA SER 13 HA SER 13 17.083 0.838 -1.011 90 HB2 SER 13 2HB SER 13 15.999 2.910 0.904 91 HB3 SER 13 1HB SER 13 15.775 1.161 0.960 92 HG SER 13 HG SER 13 17.923 2.722 1.785 93 H LEU 14 H LEU 14 16.327 4.196 -1.613 94 HA LEU 14 HA LEU 14 13.631 3.742 -2.457 95 HB2 LEU 14 2HB LEU 14 15.490 6.062 -2.987 96 HB3 LEU 14 1HB LEU 14 13.779 6.044 -3.363 97 HG LEU 14 HG LEU 14 13.917 5.407 -0.644 98 HD11 LEU 14 1HD1 LEU 14 15.698 7.765 -1.236 99 HD12 LEU 14 2HD1 LEU 14 16.276 6.185 -0.712 100 HD13 LEU 14 3HD1 LEU 14 15.243 7.144 0.350 101 HD21 LEU 14 3HD2 LEU 14 13.298 7.986 -2.075 102 HD22 LEU 14 1HD2 LEU 14 12.919 7.663 -0.383 103 HD23 LEU 14 2HD2 LEU 14 12.165 6.700 -1.655 104 H SER 15 H SER 15 16.743 4.196 -4.082 105 HA SER 15 HA SER 15 15.797 4.078 -6.723 106 HB2 SER 15 2HB SER 15 18.507 3.022 -6.172 107 HB3 SER 15 1HB SER 15 17.995 4.289 -7.288 108 HG SER 15 HG SER 15 19.273 4.827 -5.242 109 H GLN 16 H GLN 16 16.831 1.592 -4.455 110 HA GLN 16 HA GLN 16 16.983 -0.588 -6.200 111 HB2 GLN 16 2HB GLN 16 17.819 -0.599 -3.878 112 HB3 GLN 16 1HB GLN 16 16.165 -0.585 -3.289 113 HG2 GLN 16 2HG GLN 16 17.084 -2.814 -3.170 114 HG3 GLN 16 1HG GLN 16 15.778 -2.761 -4.353 115 HE21 GLN 16 1HE2 GLN 16 16.226 -3.090 -6.499 116 HE22 GLN 16 2HE2 GLN 16 17.766 -3.637 -7.068 117 H MET 17 H MET 17 14.223 0.836 -4.544 118 HA MET 17 HA MET 17 12.376 -1.223 -5.112 119 HB2 MET 17 2HB MET 17 11.818 1.730 -4.733 120 HB3 MET 17 1HB MET 17 10.639 0.432 -4.619 121 HG2 MET 17 2HG MET 17 12.986 0.881 -2.793 122 HG3 MET 17 1HG MET 17 11.290 1.184 -2.423 123 HE1 MET 17 3HE MET 17 9.556 -1.062 -3.155 124 HE2 MET 17 1HE MET 17 9.681 -0.545 -1.476 125 HE3 MET 17 2HE MET 17 9.763 -2.261 -1.878 126 H LEU 18 H LEU 18 13.463 1.579 -6.900 127 HA LEU 18 HA LEU 18 11.527 1.515 -8.950 128 HB2 LEU 18 2HB LEU 18 13.021 3.431 -8.456 129 HB3 LEU 18 1HB LEU 18 14.373 2.509 -9.078 130 HG LEU 18 HG LEU 18 13.292 2.451 -11.302 131 HD11 LEU 18 1HD1 LEU 18 11.246 4.202 -9.949 132 HD12 LEU 18 2HD1 LEU 18 10.982 2.627 -10.698 133 HD13 LEU 18 3HD1 LEU 18 11.403 4.019 -11.695 134 HD21 LEU 18 3HD2 LEU 18 14.934 4.165 -10.835 135 HD22 LEU 18 1HD2 LEU 18 13.701 5.191 -10.104 136 HD23 LEU 18 2HD2 LEU 18 13.644 4.836 -11.830 137 H SER 19 H SER 19 14.753 0.044 -8.657 138 HA SER 19 HA SER 19 14.765 -1.116 -11.240 139 HB2 SER 19 2HB SER 19 16.284 -2.605 -9.240 140 HB3 SER 19 1HB SER 19 16.857 -1.748 -10.671 141 HG SER 19 HG SER 19 16.912 0.143 -9.502 142 H MET 20 H MET 20 13.367 -2.030 -8.215 143 HA MET 20 HA MET 20 12.981 -4.797 -8.839 144 HB2 MET 20 2HB MET 20 13.106 -3.768 -6.522 145 HB3 MET 20 1HB MET 20 11.479 -3.166 -6.793 146 HG2 MET 20 2HG MET 20 10.644 -5.424 -7.020 147 HG3 MET 20 1HG MET 20 12.279 -6.066 -6.856 148 HE1 MET 20 3HE MET 20 13.431 -4.113 -4.449 149 HE2 MET 20 1HE MET 20 13.734 -5.829 -4.726 150 HE3 MET 20 2HE MET 20 13.153 -5.277 -3.153 151 H GLY 21 H GLY 21 11.408 -1.888 -9.666 152 HA2 GLY 21 2HA GLY 21 9.788 -1.821 -11.410 153 HA3 GLY 21 1HA GLY 21 9.250 -3.426 -10.933 154 H PHE 22 H PHE 22 9.779 -1.396 -8.285 155 HA PHE 22 HA PHE 22 6.909 -1.180 -7.845 156 HB2 PHE 22 2HB PHE 22 8.860 -1.847 -6.133 157 HB3 PHE 22 1HB PHE 22 8.884 -0.108 -5.883 158 HD1 PHE 22 2HD PHE 22 6.032 0.573 -6.082 159 HD2 PHE 22 1HD PHE 22 7.951 -2.731 -4.206 160 HE1 PHE 22 2HE PHE 22 4.150 0.370 -4.511 161 HE2 PHE 22 1HE PHE 22 6.070 -2.938 -2.640 162 HZ PHE 22 HZ PHE 22 4.167 -1.385 -2.791 163 H SER 23 H SER 23 5.819 0.593 -8.288 164 HA SER 23 HA SER 23 7.107 3.195 -8.091 165 HB2 SER 23 2HB SER 23 5.473 3.221 -10.445 166 HB3 SER 23 1HB SER 23 7.197 3.557 -10.300 167 HG SER 23 HG SER 23 7.519 1.751 -11.294 168 H ASP 24 H ASP 24 5.755 4.767 -7.381 169 HA ASP 24 HA ASP 24 2.939 4.000 -7.024 170 HB2 ASP 24 2HB ASP 24 2.939 5.500 -5.045 171 HB3 ASP 24 1HB ASP 24 4.033 4.138 -4.886 172 H GLU 25 H GLU 25 1.505 5.131 -8.103 173 HA GLU 25 HA GLU 25 2.324 7.523 -9.515 174 HB2 GLU 25 2HB GLU 25 -0.506 6.909 -9.710 175 HB3 GLU 25 1HB GLU 25 0.711 6.992 -10.975 176 HG2 GLU 25 2HG GLU 25 0.085 4.816 -11.160 177 HG3 GLU 25 1HG GLU 25 1.409 4.654 -10.006 178 H GLY 26 H GLY 26 0.007 6.635 -6.998 179 HA2 GLY 26 2HA GLY 26 -0.924 9.349 -6.687 180 HA3 GLY 26 1HA GLY 26 -1.370 7.972 -5.692 181 H GLY 27 H GLY 27 1.927 8.015 -5.885 182 HA2 GLY 27 2HA GLY 27 3.614 8.710 -4.492 183 HA3 GLY 27 1HA GLY 27 2.584 10.050 -4.017 184 H TRP 28 H TRP 28 1.904 6.598 -3.692 185 HA TRP 28 HA TRP 28 1.416 7.051 -0.868 186 HB2 TRP 28 2HB TRP 28 0.269 4.920 -0.870 187 HB3 TRP 28 1HB TRP 28 -0.302 5.904 -2.205 188 HD1 TRP 28 HD TRP 28 0.422 5.083 -4.706 189 HE1 TRP 28 1HE TRP 28 0.996 2.725 -5.574 190 HE3 TRP 28 3HE TRP 28 1.371 2.786 -0.236 191 HZ2 TRP 28 2HZ TRP 28 1.747 0.213 -4.487 192 HZ3 TRP 28 3HZ TRP 28 2.009 0.411 -0.235 193 HH2 TRP 28 HH TRP 28 2.193 -0.845 -2.320 194 H LEU 29 H LEU 29 3.629 5.257 -2.923 195 HA LEU 29 HA LEU 29 4.737 3.684 -0.809 196 HB2 LEU 29 2HB LEU 29 4.959 2.889 -3.069 197 HB3 LEU 29 1HB LEU 29 5.764 4.368 -3.562 198 HG LEU 29 HG LEU 29 7.606 3.716 -1.893 199 HD11 LEU 29 1HD1 LEU 29 6.326 1.975 -0.733 200 HD12 LEU 29 2HD1 LEU 29 7.818 1.343 -1.428 201 HD13 LEU 29 3HD1 LEU 29 6.275 1.030 -2.222 202 HD21 LEU 29 3HD2 LEU 29 7.145 2.067 -4.376 203 HD22 LEU 29 1HD2 LEU 29 8.690 2.276 -3.554 204 HD23 LEU 29 2HD2 LEU 29 7.899 3.659 -4.307 205 H THR 30 H THR 30 5.484 6.786 -2.290 206 HA THR 30 HA THR 30 7.984 7.215 -1.084 207 HB THR 30 HB THR 30 6.612 8.567 -2.932 208 HG1 THR 30 1HG THR 30 8.149 10.430 -1.974 209 HG21 THR 30 3HG2 THR 30 6.190 10.177 -0.414 210 HG22 THR 30 1HG2 THR 30 4.939 9.498 -1.455 211 HG23 THR 30 2HG2 THR 30 5.979 10.792 -2.053 212 H ARG 31 H ARG 31 4.804 7.265 0.199 213 HA ARG 31 HA ARG 31 5.593 8.739 2.592 214 HB2 ARG 31 2HB ARG 31 2.926 7.461 1.972 215 HB3 ARG 31 1HB ARG 31 3.264 8.670 3.204 216 HG2 ARG 31 2HG ARG 31 3.873 9.381 0.397 217 HG3 ARG 31 1HG ARG 31 2.174 9.277 0.861 218 HD2 ARG 31 2HD ARG 31 4.101 10.823 2.549 219 HD3 ARG 31 1HD ARG 31 3.451 11.535 1.071 220 HE ARG 31 HE ARG 31 1.630 10.460 3.114 221 HH11 ARG 31 1HH1 ARG 31 2.844 13.167 1.247 222 HH12 ARG 31 2HH1 ARG 31 1.544 14.218 1.703 223 HH21 ARG 31 1HH2 ARG 31 -0.086 11.825 3.691 224 HH22 ARG 31 2HH2 ARG 31 -0.125 13.456 3.106 225 H LEU 32 H LEU 32 4.736 5.536 1.483 226 HA LEU 32 HA LEU 32 4.486 4.229 3.949 227 HB2 LEU 32 2HB LEU 32 3.839 3.387 1.650 228 HB3 LEU 32 1HB LEU 32 5.532 3.018 1.392 229 HG LEU 32 HG LEU 32 5.250 1.640 3.615 230 HD11 LEU 32 1HD1 LEU 32 2.945 2.444 4.000 231 HD12 LEU 32 2HD1 LEU 32 3.064 0.687 3.892 232 HD13 LEU 32 3HD1 LEU 32 2.443 1.614 2.527 233 HD21 LEU 32 3HD2 LEU 32 4.649 -0.328 2.251 234 HD22 LEU 32 1HD2 LEU 32 5.895 0.672 1.504 235 HD23 LEU 32 2HD2 LEU 32 4.233 0.753 0.921 236 H LEU 33 H LEU 33 7.291 4.916 1.938 237 HA LEU 33 HA LEU 33 9.150 3.335 3.373 238 HB2 LEU 33 2HB LEU 33 9.531 5.754 1.613 239 HB3 LEU 33 1HB LEU 33 10.853 4.796 2.255 240 HG LEU 33 HG LEU 33 8.698 3.698 0.443 241 HD11 LEU 33 1HD1 LEU 33 10.431 3.758 -1.305 242 HD12 LEU 33 2HD1 LEU 33 11.489 4.643 -0.203 243 HD13 LEU 33 3HD1 LEU 33 9.977 5.369 -0.751 244 HD21 LEU 33 3HD2 LEU 33 9.696 1.977 1.778 245 HD22 LEU 33 1HD2 LEU 33 11.318 2.591 1.444 246 HD23 LEU 33 2HD2 LEU 33 10.364 1.868 0.151 247 H GLN 34 H GLN 34 7.572 6.198 4.223 248 HA GLN 34 HA GLN 34 9.731 7.084 5.979 249 HB2 GLN 34 2HB GLN 34 7.026 8.360 5.560 250 HB3 GLN 34 1HB GLN 34 8.419 9.073 6.360 251 HG2 GLN 34 2HG GLN 34 8.084 8.460 3.442 252 HG3 GLN 34 1HG GLN 34 8.268 10.037 4.203 253 HE21 GLN 34 1HE2 GLN 34 9.808 8.657 2.093 254 HE22 GLN 34 2HE2 GLN 34 11.454 8.653 2.643 255 H THR 35 H THR 35 6.496 5.716 6.085 256 HA THR 35 HA THR 35 6.363 5.890 8.967 257 HB THR 35 HB THR 35 4.248 4.443 8.542 258 HG1 THR 35 1HG THR 35 3.483 4.777 6.353 259 HG21 THR 35 3HG2 THR 35 4.444 7.249 7.441 260 HG22 THR 35 1HG2 THR 35 4.219 6.828 9.138 261 HG23 THR 35 2HG2 THR 35 2.965 6.442 7.959 262 H LYS 36 H LYS 36 6.759 3.326 6.537 263 HA LYS 36 HA LYS 36 7.188 1.382 8.681 264 HB2 LYS 36 2HB LYS 36 6.600 1.185 5.759 265 HB3 LYS 36 1HB LYS 36 7.380 -0.168 6.566 266 HG2 LYS 36 2HG LYS 36 5.119 -0.689 6.653 267 HG3 LYS 36 1HG LYS 36 5.460 -0.024 8.253 268 HD2 LYS 36 2HD LYS 36 4.647 2.193 7.383 269 HD3 LYS 36 1HD LYS 36 4.095 1.341 5.938 270 HE2 LYS 36 2HE LYS 36 2.173 1.146 7.099 271 HE3 LYS 36 1HE LYS 36 3.007 -0.204 7.871 272 HZ1 LYS 36 3HZ LYS 36 2.302 0.988 9.678 273 HZ2 LYS 36 1HZ LYS 36 2.466 2.494 8.914 274 HZ3 LYS 36 2HZ LYS 36 3.835 1.662 9.464 275 H ASN 37 H ASN 37 9.033 3.588 7.460 276 HA ASN 37 HA ASN 37 11.268 3.942 7.306 277 HB2 ASN 37 2HB ASN 37 11.142 2.121 9.243 278 HB3 ASN 37 1HB ASN 37 11.943 1.123 8.036 279 HD21 ASN 37 1HD2 ASN 37 12.928 2.103 10.593 280 HD22 ASN 37 2HD2 ASN 37 14.362 3.003 10.246 281 H TYR 38 H TYR 38 13.349 2.875 6.260 282 HA TYR 38 HA TYR 38 12.542 2.196 3.559 283 HB2 TYR 38 2HB TYR 38 15.224 2.869 4.780 284 HB3 TYR 38 1HB TYR 38 15.000 2.467 3.081 285 HD1 TYR 38 1HD TYR 38 13.268 3.915 1.788 286 HD2 TYR 38 2HD TYR 38 15.064 5.084 5.461 287 HE1 TYR 38 1HE TYR 38 12.728 6.260 1.297 288 HE2 TYR 38 2HE TYR 38 14.533 7.436 4.978 289 HH TYR 38 HH TYR 38 14.009 8.871 3.137 290 H ASP 39 H ASP 39 12.072 0.177 5.494 291 HA ASP 39 HA ASP 39 14.168 -1.806 5.081 292 HB2 ASP 39 2HB ASP 39 12.971 -1.487 7.308 293 HB3 ASP 39 1HB ASP 39 11.552 -2.196 6.541 294 H ILE 40 H ILE 40 14.122 -2.581 3.073 295 HA ILE 40 HA ILE 40 11.878 -2.816 1.419 296 HB ILE 40 HB ILE 40 14.481 -4.343 1.287 297 HG12 ILE 40 2HG1 ILE 40 13.609 -1.844 -0.183 298 HG13 ILE 40 1HG1 ILE 40 14.658 -1.848 1.232 299 HG21 ILE 40 1HG2 ILE 40 12.746 -5.445 -0.028 300 HG22 ILE 40 2HG2 ILE 40 13.946 -4.695 -1.080 301 HG23 ILE 40 3HG2 ILE 40 12.379 -3.921 -0.843 302 HD11 ILE 40 3HD1 ILE 40 15.280 -3.202 -1.379 303 HD12 ILE 40 1HD1 ILE 40 16.344 -3.067 0.019 304 HD13 ILE 40 2HD1 ILE 40 15.887 -1.621 -0.881 305 H GLY 41 H GLY 41 13.303 -5.074 3.700 306 HA2 GLY 41 2HA GLY 41 11.925 -7.397 2.908 307 HA3 GLY 41 1HA GLY 41 12.586 -7.097 4.507 308 H ALA 42 H ALA 42 11.153 -5.013 5.421 309 HA ALA 42 HA ALA 42 8.694 -6.229 6.157 310 HB1 ALA 42 1HB ALA 42 8.278 -4.147 7.389 311 HB2 ALA 42 2HB ALA 42 9.667 -3.410 6.592 312 HB3 ALA 42 3HB ALA 42 9.900 -4.778 7.679 313 H ALA 43 H ALA 43 9.520 -3.550 3.998 314 HA ALA 43 HA ALA 43 6.952 -2.644 3.420 315 HB1 ALA 43 1HB ALA 43 9.341 -2.691 1.584 316 HB2 ALA 43 2HB ALA 43 8.994 -1.453 2.793 317 HB3 ALA 43 3HB ALA 43 7.918 -1.667 1.411 318 H LEU 44 H LEU 44 8.882 -5.085 1.676 319 HA LEU 44 HA LEU 44 6.908 -5.641 -0.267 320 HB2 LEU 44 2HB LEU 44 9.480 -6.756 0.560 321 HB3 LEU 44 1HB LEU 44 8.368 -7.973 -0.032 322 HG LEU 44 HG LEU 44 8.127 -6.721 -2.140 323 HD11 LEU 44 1HD1 LEU 44 9.623 -4.867 -2.635 324 HD12 LEU 44 2HD1 LEU 44 10.242 -4.915 -0.985 325 HD13 LEU 44 3HD1 LEU 44 8.559 -4.479 -1.284 326 HD21 LEU 44 3HD2 LEU 44 9.797 -8.489 -1.962 327 HD22 LEU 44 1HD2 LEU 44 10.981 -7.325 -1.367 328 HD23 LEU 44 2HD2 LEU 44 10.365 -7.195 -3.015 329 H ASP 45 H ASP 45 7.636 -7.085 2.871 330 HA ASP 45 HA ASP 45 5.830 -9.249 2.707 331 HB2 ASP 45 2HB ASP 45 7.734 -8.879 4.377 332 HB3 ASP 45 1HB ASP 45 6.611 -7.852 5.262 333 H THR 46 H THR 46 5.441 -5.896 3.589 334 HA THR 46 HA THR 46 2.992 -6.012 4.939 335 HB THR 46 HB THR 46 4.056 -3.780 3.191 336 HG1 THR 46 1HG THR 46 5.402 -4.461 5.005 337 HG21 THR 46 3HG2 THR 46 2.621 -2.321 4.564 338 HG22 THR 46 1HG2 THR 46 1.956 -3.746 5.363 339 HG23 THR 46 2HG2 THR 46 1.679 -3.493 3.640 340 H ILE 47 H ILE 47 3.711 -5.991 1.491 341 HA ILE 47 HA ILE 47 0.819 -6.061 0.957 342 HB ILE 47 HB ILE 47 1.298 -5.354 -1.315 343 HG12 ILE 47 2HG1 ILE 47 4.197 -5.051 -0.525 344 HG13 ILE 47 1HG1 ILE 47 3.592 -6.477 -1.359 345 HG21 ILE 47 1HG2 ILE 47 1.861 -3.089 -0.864 346 HG22 ILE 47 2HG2 ILE 47 2.793 -3.538 0.563 347 HG23 ILE 47 3HG2 ILE 47 1.038 -3.695 0.575 348 HD11 ILE 47 3HD1 ILE 47 4.595 -4.929 -2.919 349 HD12 ILE 47 1HD1 ILE 47 3.507 -3.650 -2.383 350 HD13 ILE 47 2HD1 ILE 47 2.862 -5.062 -3.222 351 H GLN 48 H GLN 48 3.195 -8.140 1.456 352 HA GLN 48 HA GLN 48 3.486 -10.353 1.096 353 HB2 GLN 48 2HB GLN 48 0.836 -10.095 0.811 354 HB3 GLN 48 1HB GLN 48 1.239 -10.626 -0.816 355 HG2 GLN 48 2HG GLN 48 1.073 -12.684 -0.009 356 HG3 GLN 48 1HG GLN 48 2.643 -12.386 0.733 357 HE21 GLN 48 1HE2 GLN 48 2.757 -11.953 2.936 358 HE22 GLN 48 2HE2 GLN 48 1.435 -12.252 4.006 359 H TYR 49 H TYR 49 2.586 -8.638 -1.866 360 HA TYR 49 HA TYR 49 3.663 -10.277 -3.787 361 HB2 TYR 49 2HB TYR 49 3.341 -7.300 -3.625 362 HB3 TYR 49 1HB TYR 49 4.115 -8.031 -5.025 363 HD1 TYR 49 2HD TYR 49 1.239 -9.389 -3.091 364 HD2 TYR 49 1HD TYR 49 2.554 -7.591 -6.717 365 HE1 TYR 49 2HE TYR 49 -0.966 -9.804 -4.090 366 HE2 TYR 49 1HE TYR 49 0.352 -8.005 -7.724 367 HH TYR 49 HH TYR 49 -2.305 -9.369 -5.826 368 H SER 50 H SER 50 5.584 -11.156 -3.880 369 HA SER 50 HA SER 50 7.944 -9.450 -3.686 370 HB2 SER 50 2HB SER 50 8.926 -11.628 -2.425 371 HB3 SER 50 1HB SER 50 8.258 -10.238 -1.572 372 HG SER 50 HG SER 50 6.224 -11.350 -1.565 373 H LYS 51 H LYS 51 6.411 -12.421 -4.712 374 HA LYS 51 HA LYS 51 8.686 -12.971 -6.489 375 HB2 LYS 51 2HB LYS 51 6.419 -14.795 -5.655 376 HB3 LYS 51 1HB LYS 51 7.748 -15.241 -6.720 377 HG2 LYS 51 2HG LYS 51 9.250 -14.543 -4.734 378 HG3 LYS 51 1HG LYS 51 7.777 -14.720 -3.779 379 HD2 LYS 51 2HD LYS 51 7.547 -17.021 -4.534 380 HD3 LYS 51 1HD LYS 51 8.977 -16.852 -5.549 381 HE2 LYS 51 2HE LYS 51 10.227 -16.268 -3.408 382 HE3 LYS 51 1HE LYS 51 8.804 -16.857 -2.551 383 HZ1 LYS 51 3HZ LYS 51 9.085 -18.996 -3.669 384 HZ2 LYS 51 1HZ LYS 51 10.451 -18.587 -2.758 385 HZ3 LYS 51 2HZ LYS 51 10.474 -18.420 -4.438 386 H HIS 52 H HIS 52 5.124 -13.085 -6.485 387 HA HIS 52 HA HIS 52 4.939 -11.669 -8.951 388 HB2 HIS 52 2HB HIS 52 5.555 -14.148 -9.545 389 HB3 HIS 52 1HB HIS 52 3.876 -14.468 -9.131 390 HD1 HIS 52 1HD HIS 52 2.365 -12.249 -10.419 391 HD2 HIS 52 2HD HIS 52 5.644 -14.058 -12.227 392 HE1 HIS 52 1HE HIS 52 2.122 -11.795 -12.880 393 HE2 HIS 52 2HE HIS 52 4.165 -12.819 -13.946 394 H1 GLY 1 1HT GLY 1 -19.799 19.018 1.907 395 H2 GLY 1 2HT GLY 1 -18.276 18.647 1.276 396 H3 GLY 1 3HT GLY 1 -18.405 19.472 2.745 397 HA2 GLY 1 1HA GLY 1 -17.834 17.188 3.158 398 HA3 GLY 1 2HA GLY 1 -19.445 17.543 3.766 399 H SER 2 H SER 2 -20.677 15.787 3.467 400 HA SER 2 HA SER 2 -20.318 14.168 1.062 401 HB2 SER 2 2HB SER 2 -22.158 13.660 3.413 402 HB3 SER 2 1HB SER 2 -21.675 12.504 2.173 403 HG SER 2 HG SER 2 -20.358 12.072 3.852 404 HA PRO 3 HA PRO 3 -23.835 16.600 -0.455 405 HB2 PRO 3 2HB PRO 3 -23.148 15.638 -3.091 406 HB3 PRO 3 1HB PRO 3 -23.012 17.273 -2.447 407 HG2 PRO 3 2HG PRO 3 -20.861 15.708 -3.076 408 HG3 PRO 3 1HG PRO 3 -20.820 16.999 -1.864 409 HD2 PRO 3 2HD PRO 3 -21.074 14.045 -1.480 410 HD3 PRO 3 1HD PRO 3 -20.145 15.232 -0.536 411 HA PRO 4 HA PRO 4 -26.717 13.206 -0.658 412 HB2 PRO 4 2HB PRO 4 -28.544 15.163 -1.907 413 HB3 PRO 4 1HB PRO 4 -28.740 14.229 -0.422 414 HG2 PRO 4 2HG PRO 4 -28.253 16.857 -0.342 415 HG3 PRO 4 1HG PRO 4 -27.545 15.754 0.854 416 HD2 PRO 4 2HD PRO 4 -26.283 16.990 -1.565 417 HD3 PRO 4 1HD PRO 4 -25.618 16.774 0.069 418 H GLU 5 H GLU 5 -25.539 14.945 -3.343 419 HA GLU 5 HA GLU 5 -27.043 13.509 -5.343 420 HB2 GLU 5 2HB GLU 5 -24.517 14.815 -6.145 421 HB3 GLU 5 1HB GLU 5 -26.107 14.909 -6.875 422 HG2 GLU 5 2HG GLU 5 -25.333 16.348 -4.356 423 HG3 GLU 5 1HG GLU 5 -25.243 17.052 -5.968 424 H ALA 6 H ALA 6 -24.319 12.922 -3.422 425 HA ALA 6 HA ALA 6 -22.970 11.161 -5.275 426 HB1 ALA 6 1HB ALA 6 -22.506 11.610 -2.326 427 HB2 ALA 6 2HB ALA 6 -21.684 12.451 -3.640 428 HB3 ALA 6 3HB ALA 6 -21.447 10.717 -3.418 429 H ASP 7 H ASP 7 -22.593 8.898 -4.766 430 HA ASP 7 HA ASP 7 -25.030 7.546 -4.122 431 HB2 ASP 7 2HB ASP 7 -23.320 6.799 -5.840 432 HB3 ASP 7 1HB ASP 7 -22.295 6.319 -4.498 433 HA PRO 8 HA PRO 8 -24.124 7.493 0.274 434 HB2 PRO 8 2HB PRO 8 -26.295 6.014 0.997 435 HB3 PRO 8 1HB PRO 8 -26.357 7.746 0.658 436 HG2 PRO 8 2HG PRO 8 -27.086 5.448 -1.107 437 HG3 PRO 8 1HG PRO 8 -27.925 6.993 -0.873 438 HD2 PRO 8 2HD PRO 8 -26.351 6.513 -3.017 439 HD3 PRO 8 1HD PRO 8 -26.497 8.125 -2.287 440 H ARG 9 H ARG 9 -24.347 4.793 -1.843 441 HA ARG 9 HA ARG 9 -23.519 2.910 0.235 442 HB2 ARG 9 2HB ARG 9 -23.991 2.378 -2.703 443 HB3 ARG 9 1HB ARG 9 -23.827 1.182 -1.424 444 HG2 ARG 9 2HG ARG 9 -25.937 1.557 -0.608 445 HG3 ARG 9 1HG ARG 9 -25.998 3.210 -1.227 446 HD2 ARG 9 2HD ARG 9 -26.107 0.705 -2.904 447 HD3 ARG 9 1HD ARG 9 -27.498 1.689 -2.450 448 HE ARG 9 HE ARG 9 -25.432 3.178 -3.799 449 HH11 ARG 9 1HH1 ARG 9 -28.269 1.165 -4.233 450 HH12 ARG 9 2HH1 ARG 9 -28.605 1.763 -5.825 451 HH21 ARG 9 1HH2 ARG 9 -25.874 3.965 -5.901 452 HH22 ARG 9 2HH2 ARG 9 -27.264 3.367 -6.760 453 H LEU 10 H LEU 10 -22.327 4.470 -2.685 454 HA LEU 10 HA LEU 10 -19.878 3.067 -2.852 455 HB2 LEU 10 2HB LEU 10 -20.848 4.375 -4.708 456 HB3 LEU 10 1HB LEU 10 -20.527 5.851 -3.818 457 HG LEU 10 HG LEU 10 -18.086 5.286 -3.895 458 HD11 LEU 10 1HD1 LEU 10 -17.363 3.659 -5.595 459 HD12 LEU 10 2HD1 LEU 10 -19.042 3.171 -5.824 460 HD13 LEU 10 3HD1 LEU 10 -18.247 2.898 -4.273 461 HD21 LEU 10 3HD2 LEU 10 -19.509 5.615 -6.536 462 HD22 LEU 10 1HD2 LEU 10 -17.811 5.982 -6.227 463 HD23 LEU 10 2HD2 LEU 10 -19.075 6.908 -5.419 464 H ILE 11 H ILE 11 -20.845 5.960 -1.097 465 HA ILE 11 HA ILE 11 -18.223 6.744 -0.339 466 HB ILE 11 HB ILE 11 -20.263 8.220 -0.311 467 HG12 ILE 11 2HG1 ILE 11 -18.769 8.136 2.316 468 HG13 ILE 11 1HG1 ILE 11 -18.084 8.765 0.820 469 HG21 ILE 11 1HG2 ILE 11 -21.660 8.207 1.712 470 HG22 ILE 11 2HG2 ILE 11 -20.850 6.736 2.247 471 HG23 ILE 11 3HG2 ILE 11 -21.824 6.722 0.776 472 HD11 ILE 11 3HD1 ILE 11 -19.795 10.478 0.734 473 HD12 ILE 11 1HD1 ILE 11 -18.912 10.547 2.258 474 HD13 ILE 11 2HD1 ILE 11 -20.526 9.839 2.205 475 H GLU 12 H GLU 12 -20.261 4.225 0.691 476 HA GLU 12 HA GLU 12 -19.235 4.020 3.368 477 HB2 GLU 12 2HB GLU 12 -21.001 2.267 1.681 478 HB3 GLU 12 1HB GLU 12 -20.432 1.760 3.265 479 HG2 GLU 12 2HG GLU 12 -21.905 4.333 2.803 480 HG3 GLU 12 1HG GLU 12 -22.707 2.811 3.194 481 H SER 13 H SER 13 -18.082 3.154 0.314 482 HA SER 13 HA SER 13 -16.751 0.745 0.834 483 HB2 SER 13 2HB SER 13 -15.710 2.943 -0.960 484 HB3 SER 13 1HB SER 13 -15.450 1.208 -1.119 485 HG SER 13 HG SER 13 -17.659 2.752 -1.793 486 H LEU 14 H LEU 14 -15.938 4.068 1.578 487 HA LEU 14 HA LEU 14 -13.242 3.528 2.374 488 HB2 LEU 14 2HB LEU 14 -15.057 5.880 2.928 489 HB3 LEU 14 1HB LEU 14 -13.365 5.815 3.383 490 HG LEU 14 HG LEU 14 -13.062 5.344 0.782 491 HD11 LEU 14 1HD1 LEU 14 -15.606 6.952 0.926 492 HD12 LEU 14 2HD1 LEU 14 -15.426 5.331 0.251 493 HD13 LEU 14 3HD1 LEU 14 -14.632 6.702 -0.522 494 HD21 LEU 14 3HD2 LEU 14 -13.539 8.064 1.989 495 HD22 LEU 14 1HD2 LEU 14 -12.667 7.740 0.490 496 HD23 LEU 14 2HD2 LEU 14 -12.027 7.155 2.026 497 H SER 15 H SER 15 -16.337 3.958 4.023 498 HA SER 15 HA SER 15 -15.413 3.745 6.664 499 HB2 SER 15 2HB SER 15 -18.080 2.614 6.161 500 HB3 SER 15 1HB SER 15 -17.608 3.974 7.179 501 HG SER 15 HG SER 15 -18.954 4.344 5.161 502 H GLN 16 H GLN 16 -16.419 1.346 4.297 503 HA GLN 16 HA GLN 16 -16.489 -0.905 5.952 504 HB2 GLN 16 2HB GLN 16 -17.373 -0.809 3.638 505 HB3 GLN 16 1HB GLN 16 -15.725 -0.781 3.028 506 HG2 GLN 16 2HG GLN 16 -16.788 -3.000 2.899 507 HG3 GLN 16 1HG GLN 16 -15.315 -2.987 3.865 508 HE21 GLN 16 1HE2 GLN 16 -15.445 -3.292 6.076 509 HE22 GLN 16 2HE2 GLN 16 -16.868 -3.919 6.838 510 H MET 17 H MET 17 -13.800 0.600 4.214 511 HA MET 17 HA MET 17 -11.906 -1.433 4.764 512 HB2 MET 17 2HB MET 17 -11.579 1.495 4.106 513 HB3 MET 17 1HB MET 17 -10.217 0.404 4.308 514 HG2 MET 17 2HG MET 17 -12.379 0.254 2.226 515 HG3 MET 17 1HG MET 17 -10.677 0.638 1.978 516 HE1 MET 17 3HE MET 17 -8.694 -1.175 2.328 517 HE2 MET 17 1HE MET 17 -8.996 -2.834 2.847 518 HE3 MET 17 2HE MET 17 -9.313 -1.490 3.947 519 H LEU 18 H LEU 18 -12.916 1.464 6.452 520 HA LEU 18 HA LEU 18 -10.948 1.501 8.451 521 HB2 LEU 18 2HB LEU 18 -12.429 3.393 7.991 522 HB3 LEU 18 1HB LEU 18 -13.811 2.457 8.522 523 HG LEU 18 HG LEU 18 -12.548 2.316 10.786 524 HD11 LEU 18 1HD1 LEU 18 -11.276 4.780 9.611 525 HD12 LEU 18 2HD1 LEU 18 -10.442 3.258 9.913 526 HD13 LEU 18 3HD1 LEU 18 -11.097 4.187 11.261 527 HD21 LEU 18 3HD2 LEU 18 -14.653 3.492 10.456 528 HD22 LEU 18 1HD2 LEU 18 -13.787 4.887 9.814 529 HD23 LEU 18 2HD2 LEU 18 -13.577 4.418 11.501 530 H SER 19 H SER 19 -14.225 0.094 8.446 531 HA SER 19 HA SER 19 -14.021 -1.032 11.042 532 HB2 SER 19 2HB SER 19 -15.841 -2.088 8.895 533 HB3 SER 19 1HB SER 19 -16.131 -1.968 10.631 534 HG SER 19 HG SER 19 -16.001 0.388 10.279 535 H MET 20 H MET 20 -12.662 -1.941 8.082 536 HA MET 20 HA MET 20 -12.552 -4.775 8.639 537 HB2 MET 20 2HB MET 20 -12.630 -3.755 6.306 538 HB3 MET 20 1HB MET 20 -10.963 -3.261 6.563 539 HG2 MET 20 2HG MET 20 -10.210 -5.492 6.667 540 HG3 MET 20 1HG MET 20 -11.853 -6.115 6.799 541 HE1 MET 20 3HE MET 20 -13.572 -6.109 5.017 542 HE2 MET 20 1HE MET 20 -13.294 -5.878 3.290 543 HE3 MET 20 2HE MET 20 -13.436 -4.480 4.353 544 H GLY 21 H GLY 21 -10.955 -2.050 9.698 545 HA2 GLY 21 2HA GLY 21 -9.306 -2.068 11.370 546 HA3 GLY 21 1HA GLY 21 -8.857 -3.696 10.882 547 H PHE 22 H PHE 22 -9.247 -1.257 8.445 548 HA PHE 22 HA PHE 22 -6.321 -1.029 8.291 549 HB2 PHE 22 2HB PHE 22 -8.223 -1.929 6.272 550 HB3 PHE 22 1HB PHE 22 -7.225 -0.596 5.708 551 HD1 PHE 22 1HD PHE 22 -4.735 -0.821 5.796 552 HD2 PHE 22 2HD PHE 22 -7.363 -4.102 6.457 553 HE1 PHE 22 1HE PHE 22 -2.888 -2.384 5.352 554 HE2 PHE 22 2HE PHE 22 -5.521 -5.670 6.019 555 HZ PHE 22 HZ PHE 22 -3.277 -4.811 5.465 556 H SER 23 H SER 23 -5.617 0.916 8.514 557 HA SER 23 HA SER 23 -7.079 3.186 7.443 558 HB2 SER 23 2HB SER 23 -6.064 3.339 10.277 559 HB3 SER 23 1HB SER 23 -7.231 4.377 9.463 560 HG SER 23 HG SER 23 -8.662 3.143 10.371 561 H ASP 24 H ASP 24 -5.715 4.835 6.817 562 HA ASP 24 HA ASP 24 -2.889 4.137 6.852 563 HB2 ASP 24 2HB ASP 24 -2.688 6.025 5.187 564 HB3 ASP 24 1HB ASP 24 -3.643 4.647 4.672 565 H GLU 25 H GLU 25 -1.297 5.357 7.686 566 HA GLU 25 HA GLU 25 -2.125 7.415 9.602 567 HB2 GLU 25 2HB GLU 25 0.671 6.803 9.754 568 HB3 GLU 25 1HB GLU 25 -0.584 6.506 10.946 569 HG2 GLU 25 2HG GLU 25 0.254 4.396 10.600 570 HG3 GLU 25 1HG GLU 25 -1.123 4.430 9.504 571 H GLY 26 H GLY 26 0.000 6.823 6.866 572 HA2 GLY 26 2HA GLY 26 0.875 9.613 6.866 573 HA3 GLY 26 1HA GLY 26 1.494 8.329 5.836 574 H GLY 27 H GLY 27 -1.863 8.309 5.995 575 HA2 GLY 27 2HA GLY 27 -3.528 8.920 4.542 576 HA3 GLY 27 1HA GLY 27 -2.535 10.306 4.116 577 H TRP 28 H TRP 28 -1.690 6.899 3.734 578 HA TRP 28 HA TRP 28 -1.289 7.426 0.896 579 HB2 TRP 28 2HB TRP 28 0.106 5.442 0.864 580 HB3 TRP 28 1HB TRP 28 0.608 6.511 2.162 581 HD1 TRP 28 HD TRP 28 0.216 5.649 4.671 582 HE1 TRP 28 1HE TRP 28 -0.115 3.288 5.630 583 HE3 TRP 28 3HE TRP 28 -0.966 3.196 0.351 584 HZ2 TRP 28 2HZ TRP 28 -0.796 0.704 4.667 585 HZ3 TRP 28 3HZ TRP 28 -1.442 0.781 0.452 586 HH2 TRP 28 HH TRP 28 -1.358 -0.431 2.563 587 H LEU 29 H LEU 29 -3.358 5.591 2.989 588 HA LEU 29 HA LEU 29 -4.223 3.714 0.998 589 HB2 LEU 29 2HB LEU 29 -4.385 3.206 3.396 590 HB3 LEU 29 1HB LEU 29 -5.510 4.533 3.608 591 HG LEU 29 HG LEU 29 -7.028 3.285 1.962 592 HD11 LEU 29 1HD1 LEU 29 -5.314 1.726 1.136 593 HD12 LEU 29 2HD1 LEU 29 -6.717 0.893 1.804 594 HD13 LEU 29 3HD1 LEU 29 -5.226 0.997 2.740 595 HD21 LEU 29 3HD2 LEU 29 -7.712 3.409 4.194 596 HD22 LEU 29 1HD2 LEU 29 -6.403 2.364 4.748 597 HD23 LEU 29 2HD2 LEU 29 -7.739 1.687 3.821 598 H THR 30 H THR 30 -5.349 6.815 2.236 599 HA THR 30 HA THR 30 -7.795 6.879 0.829 600 HB THR 30 HB THR 30 -7.270 8.405 2.705 601 HG1 THR 30 1HG THR 30 -8.128 9.366 0.200 602 HG21 THR 30 3HG2 THR 30 -5.476 9.798 0.712 603 HG22 THR 30 1HG2 THR 30 -4.940 8.901 2.132 604 HG23 THR 30 2HG2 THR 30 -5.879 10.380 2.327 605 H ARG 31 H ARG 31 -4.542 7.245 -0.186 606 HA ARG 31 HA ARG 31 -5.213 8.617 -2.670 607 HB2 ARG 31 2HB ARG 31 -2.559 7.434 -1.811 608 HB3 ARG 31 1HB ARG 31 -2.830 8.574 -3.119 609 HG2 ARG 31 2HG ARG 31 -3.594 9.334 -0.344 610 HG3 ARG 31 1HG ARG 31 -1.899 9.385 -0.822 611 HD2 ARG 31 2HD ARG 31 -3.932 10.670 -2.576 612 HD3 ARG 31 1HD ARG 31 -3.456 11.489 -1.093 613 HE ARG 31 HE ARG 31 -1.679 10.840 -3.348 614 HH11 ARG 31 1HH1 ARG 31 -2.309 12.576 -0.378 615 HH12 ARG 31 2HH1 ARG 31 -0.935 13.621 -0.544 616 HH21 ARG 31 1HH2 ARG 31 0.115 12.220 -3.584 617 HH22 ARG 31 2HH2 ARG 31 0.439 13.425 -2.381 618 H LEU 32 H LEU 32 -4.578 5.462 -1.404 619 HA LEU 32 HA LEU 32 -4.031 4.082 -3.800 620 HB2 LEU 32 2HB LEU 32 -3.540 3.181 -1.574 621 HB3 LEU 32 1HB LEU 32 -5.255 3.106 -1.211 622 HG LEU 32 HG LEU 32 -4.501 1.613 -3.617 623 HD11 LEU 32 1HD1 LEU 32 -2.473 1.234 -2.315 624 HD12 LEU 32 2HD1 LEU 32 -3.453 -0.230 -2.408 625 HD13 LEU 32 3HD1 LEU 32 -3.446 0.734 -0.931 626 HD21 LEU 32 3HD2 LEU 32 -5.919 -0.078 -2.575 627 HD22 LEU 32 1HD2 LEU 32 -6.709 1.496 -2.568 628 HD23 LEU 32 2HD2 LEU 32 -5.977 0.873 -1.089 629 H LEU 33 H LEU 33 -7.030 4.739 -2.047 630 HA LEU 33 HA LEU 33 -8.719 3.234 -3.759 631 HB2 LEU 33 2HB LEU 33 -9.398 5.571 -1.973 632 HB3 LEU 33 1HB LEU 33 -10.554 4.461 -2.682 633 HG LEU 33 HG LEU 33 -8.412 3.652 -0.717 634 HD11 LEU 33 1HD1 LEU 33 -10.206 3.516 0.925 635 HD12 LEU 33 2HD1 LEU 33 -11.348 4.147 -0.261 636 HD13 LEU 33 3HD1 LEU 33 -10.026 5.162 0.317 637 HD21 LEU 33 3HD2 LEU 33 -9.136 1.838 -2.182 638 HD22 LEU 33 1HD2 LEU 33 -10.819 2.173 -1.777 639 HD23 LEU 33 2HD2 LEU 33 -9.713 1.587 -0.535 640 H GLN 34 H GLN 34 -7.127 6.178 -4.235 641 HA GLN 34 HA GLN 34 -9.117 7.185 -6.115 642 HB2 GLN 34 2HB GLN 34 -6.451 8.340 -5.272 643 HB3 GLN 34 1HB GLN 34 -7.619 9.133 -6.318 644 HG2 GLN 34 2HG GLN 34 -8.060 8.377 -3.437 645 HG3 GLN 34 1HG GLN 34 -7.702 9.994 -4.043 646 HE21 GLN 34 1HE2 GLN 34 -10.017 8.818 -2.592 647 HE22 GLN 34 2HE2 GLN 34 -11.408 9.226 -3.538 648 H THR 35 H THR 35 -6.100 5.483 -6.052 649 HA THR 35 HA THR 35 -5.725 5.885 -8.931 650 HB THR 35 HB THR 35 -3.560 4.535 -8.427 651 HG1 THR 35 1HG THR 35 -4.050 5.562 -5.816 652 HG21 THR 35 3HG2 THR 35 -2.416 6.612 -7.701 653 HG22 THR 35 1HG2 THR 35 -3.994 7.344 -7.408 654 HG23 THR 35 2HG2 THR 35 -3.530 6.871 -9.044 655 H LYS 36 H LYS 36 -6.660 3.461 -6.614 656 HA LYS 36 HA LYS 36 -6.758 1.476 -8.793 657 HB2 LYS 36 2HB LYS 36 -6.349 1.080 -5.829 658 HB3 LYS 36 1HB LYS 36 -6.723 -0.239 -6.934 659 HG2 LYS 36 2HG LYS 36 -4.567 -0.446 -7.373 660 HG3 LYS 36 1HG LYS 36 -4.568 1.177 -8.063 661 HD2 LYS 36 2HD LYS 36 -4.303 2.004 -5.660 662 HD3 LYS 36 1HD LYS 36 -3.907 0.332 -5.257 663 HE2 LYS 36 2HE LYS 36 -1.862 1.533 -5.637 664 HE3 LYS 36 1HE LYS 36 -2.107 0.408 -6.971 665 HZ1 LYS 36 3HZ LYS 36 -2.756 2.141 -8.392 666 HZ2 LYS 36 1HZ LYS 36 -1.387 2.728 -7.588 667 HZ3 LYS 36 2HZ LYS 36 -2.926 3.248 -7.123 668 H ASN 37 H ASN 37 -8.681 3.570 -7.619 669 HA ASN 37 HA ASN 37 -10.923 3.835 -7.480 670 HB2 ASN 37 2HB ASN 37 -10.906 2.192 -9.408 671 HB3 ASN 37 1HB ASN 37 -11.222 0.924 -8.228 672 HD21 ASN 37 1HD2 ASN 37 -13.235 0.354 -8.888 673 HD22 ASN 37 2HD2 ASN 37 -14.597 1.417 -8.831 674 H TYR 38 H TYR 38 -12.886 3.083 -6.262 675 HA TYR 38 HA TYR 38 -12.112 2.317 -3.586 676 HB2 TYR 38 2HB TYR 38 -14.868 2.882 -4.699 677 HB3 TYR 38 1HB TYR 38 -14.432 2.804 -2.999 678 HD1 TYR 38 1HD TYR 38 -13.043 4.610 -2.003 679 HD2 TYR 38 2HD TYR 38 -14.516 4.855 -5.988 680 HE1 TYR 38 1HE TYR 38 -12.620 7.033 -2.007 681 HE2 TYR 38 2HE TYR 38 -14.093 7.274 -6.002 682 HH TYR 38 HH TYR 38 -13.829 9.102 -4.478 683 H ASP 39 H ASP 39 -11.470 0.189 -4.969 684 HA ASP 39 HA ASP 39 -13.741 -1.673 -4.786 685 HB2 ASP 39 2HB ASP 39 -11.686 -1.331 -6.747 686 HB3 ASP 39 1HB ASP 39 -11.526 -2.931 -6.029 687 H ILE 40 H ILE 40 -13.789 -2.576 -2.850 688 HA ILE 40 HA ILE 40 -11.669 -2.838 -1.055 689 HB ILE 40 HB ILE 40 -14.145 -4.562 -1.227 690 HG12 ILE 40 2HG1 ILE 40 -13.779 -2.127 0.505 691 HG13 ILE 40 1HG1 ILE 40 -14.417 -2.002 -1.130 692 HG21 ILE 40 1HG2 ILE 40 -12.442 -5.499 0.242 693 HG22 ILE 40 2HG2 ILE 40 -13.821 -4.909 1.168 694 HG23 ILE 40 3HG2 ILE 40 -12.333 -3.966 1.109 695 HD11 ILE 40 3HD1 ILE 40 -15.625 -3.690 1.049 696 HD12 ILE 40 1HD1 ILE 40 -16.290 -3.394 -0.557 697 HD13 ILE 40 2HD1 ILE 40 -16.168 -2.071 0.603 698 H GLY 41 H GLY 41 -13.074 -5.274 -3.250 699 HA2 GLY 41 2HA GLY 41 -11.397 -7.402 -2.572 700 HA3 GLY 41 1HA GLY 41 -12.195 -7.209 -4.125 701 H ALA 42 H ALA 42 -10.970 -4.954 -5.113 702 HA ALA 42 HA ALA 42 -8.544 -5.988 -6.106 703 HB1 ALA 42 1HB ALA 42 -8.287 -3.901 -7.260 704 HB2 ALA 42 2HB ALA 42 -9.436 -3.108 -6.181 705 HB3 ALA 42 3HB ALA 42 -9.989 -4.355 -7.300 706 H ALA 43 H ALA 43 -9.214 -3.450 -3.705 707 HA ALA 43 HA ALA 43 -6.557 -2.715 -3.198 708 HB1 ALA 43 1HB ALA 43 -8.921 -2.680 -1.320 709 HB2 ALA 43 2HB ALA 43 -8.450 -1.391 -2.430 710 HB3 ALA 43 3HB ALA 43 -7.404 -1.815 -1.074 711 H LEU 44 H LEU 44 -8.617 -5.140 -1.643 712 HA LEU 44 HA LEU 44 -6.717 -5.992 0.269 713 HB2 LEU 44 2HB LEU 44 -9.355 -6.800 -0.648 714 HB3 LEU 44 1HB LEU 44 -8.357 -8.173 -0.220 715 HG LEU 44 HG LEU 44 -8.006 -7.240 2.019 716 HD11 LEU 44 1HD1 LEU 44 -9.293 -5.290 2.753 717 HD12 LEU 44 2HD1 LEU 44 -9.866 -5.048 1.101 718 HD13 LEU 44 3HD1 LEU 44 -8.151 -4.870 1.479 719 HD21 LEU 44 3HD2 LEU 44 -9.871 -8.751 1.647 720 HD22 LEU 44 1HD2 LEU 44 -10.902 -7.394 1.193 721 HD23 LEU 44 2HD2 LEU 44 -10.295 -7.528 2.844 722 H ASP 45 H ASP 45 -7.386 -6.976 -3.032 723 HA ASP 45 HA ASP 45 -5.762 -9.321 -2.964 724 HB2 ASP 45 2HB ASP 45 -7.523 -9.156 -4.603 725 HB3 ASP 45 1HB ASP 45 -6.814 -7.697 -5.284 726 H THR 46 H THR 46 -5.165 -5.964 -3.752 727 HA THR 46 HA THR 46 -2.673 -6.309 -5.032 728 HB THR 46 HB THR 46 -3.552 -3.894 -3.441 729 HG1 THR 46 1HG THR 46 -5.148 -4.483 -4.997 730 HG21 THR 46 3HG2 THR 46 -2.109 -2.648 -4.927 731 HG22 THR 46 1HG2 THR 46 -1.739 -4.103 -5.850 732 HG23 THR 46 2HG2 THR 46 -1.178 -3.950 -4.187 733 H ILE 47 H ILE 47 -3.576 -5.990 -1.644 734 HA ILE 47 HA ILE 47 -0.738 -6.087 -0.902 735 HB ILE 47 HB ILE 47 -1.482 -5.434 1.358 736 HG12 ILE 47 2HG1 ILE 47 -4.211 -5.196 0.064 737 HG13 ILE 47 1HG1 ILE 47 -3.753 -6.417 1.243 738 HG21 ILE 47 1HG2 ILE 47 -2.519 -3.599 -0.808 739 HG22 ILE 47 2HG2 ILE 47 -0.823 -3.762 -0.352 740 HG23 ILE 47 3HG2 ILE 47 -1.991 -3.128 0.810 741 HD11 ILE 47 3HD1 ILE 47 -3.374 -4.640 2.898 742 HD12 ILE 47 1HD1 ILE 47 -5.032 -4.675 2.302 743 HD13 ILE 47 2HD1 ILE 47 -3.909 -3.450 1.710 744 H GLN 48 H GLN 48 -3.411 -8.078 -1.200 745 HA GLN 48 HA GLN 48 -3.824 -10.245 -0.737 746 HB2 GLN 48 2HB GLN 48 -0.933 -10.025 -0.510 747 HB3 GLN 48 1HB GLN 48 -1.595 -11.341 0.447 748 HG2 GLN 48 2HG GLN 48 -2.186 -10.918 -2.467 749 HG3 GLN 48 1HG GLN 48 -0.918 -11.979 -1.857 750 HE21 GLN 48 1HE2 GLN 48 -2.328 -12.985 0.383 751 HE22 GLN 48 2HE2 GLN 48 -3.599 -14.005 -0.201 752 H TYR 49 H TYR 49 -3.144 -8.072 1.698 753 HA TYR 49 HA TYR 49 -3.442 -9.855 3.929 754 HB2 TYR 49 2HB TYR 49 -3.271 -6.880 3.597 755 HB3 TYR 49 1HB TYR 49 -3.864 -7.542 5.116 756 HD1 TYR 49 2HD TYR 49 -1.333 -9.423 3.279 757 HD2 TYR 49 1HD TYR 49 -1.984 -6.479 6.277 758 HE1 TYR 49 2HE TYR 49 0.984 -9.715 4.059 759 HE2 TYR 49 1HE TYR 49 0.324 -6.761 7.070 760 HH TYR 49 HH TYR 49 2.686 -8.513 5.300 761 H SER 50 H SER 50 -5.368 -10.941 3.473 762 HA SER 50 HA SER 50 -7.789 -9.315 3.869 763 HB2 SER 50 2HB SER 50 -7.688 -11.879 2.277 764 HB3 SER 50 1HB SER 50 -9.000 -10.701 2.349 765 HG SER 50 HG SER 50 -6.842 -9.395 1.587 766 H LYS 51 H LYS 51 -5.917 -12.012 4.852 767 HA LYS 51 HA LYS 51 -8.049 -12.827 6.711 768 HB2 LYS 51 2HB LYS 51 -5.928 -14.463 5.334 769 HB3 LYS 51 1HB LYS 51 -6.743 -15.037 6.781 770 HG2 LYS 51 2HG LYS 51 -8.376 -15.822 5.524 771 HG3 LYS 51 1HG LYS 51 -8.750 -14.180 5.006 772 HD2 LYS 51 2HD LYS 51 -8.398 -15.371 3.018 773 HD3 LYS 51 1HD LYS 51 -6.890 -14.493 3.277 774 HE2 LYS 51 2HE LYS 51 -5.832 -16.461 4.144 775 HE3 LYS 51 1HE LYS 51 -7.352 -17.350 4.102 776 HZ1 LYS 51 3HZ LYS 51 -7.353 -17.235 1.715 777 HZ2 LYS 51 1HZ LYS 51 -5.880 -17.885 2.235 778 HZ3 LYS 51 2HZ LYS 51 -5.958 -16.279 1.716 779 H HIS 52 H HIS 52 -4.536 -13.322 6.450 780 HA HIS 52 HA HIS 52 -3.916 -11.691 8.688 781 HB2 HIS 52 2HB HIS 52 -4.962 -14.020 9.545 782 HB3 HIS 52 1HB HIS 52 -3.291 -14.529 9.334 783 HD1 HIS 52 1HD HIS 52 -1.521 -12.764 10.555 784 HD2 HIS 52 2HD HIS 52 -5.421 -12.945 11.968 785 HE1 HIS 52 1HE HIS 52 -1.445 -11.787 12.869 786 HE2 HIS 52 2HE HIS 52 -3.850 -11.719 13.611 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 19.521 20.491 -2.769 2 H2 GLY 1 2HT GLY 1 17.962 19.973 -2.388 3 H3 GLY 1 3HT GLY 1 18.242 20.806 -3.831 4 HA2 GLY 1 1HA GLY 1 17.986 18.499 -4.331 5 HA3 GLY 1 2HA GLY 1 19.661 18.969 -4.592 6 H SER 2 H SER 2 20.884 17.265 -4.030 7 HA SER 2 HA SER 2 20.134 15.720 -1.660 8 HB2 SER 2 2HB SER 2 22.101 14.244 -2.585 9 HB3 SER 2 1HB SER 2 20.529 14.206 -3.380 10 HG SER 2 HG SER 2 22.773 14.693 -4.526 11 HA PRO 3 HA PRO 3 23.349 18.142 0.367 12 HB2 PRO 3 2HB PRO 3 22.760 17.336 2.886 13 HB3 PRO 3 1HB PRO 3 21.821 18.566 2.034 14 HG2 PRO 3 2HG PRO 3 21.223 15.667 2.429 15 HG3 PRO 3 1HG PRO 3 20.129 17.057 2.524 16 HD2 PRO 3 2HD PRO 3 20.288 15.425 0.350 17 HD3 PRO 3 1HD PRO 3 19.840 17.139 0.248 18 HA PRO 4 HA PRO 4 26.549 15.071 0.664 19 HB2 PRO 4 2HB PRO 4 27.853 16.845 2.624 20 HB3 PRO 4 1HB PRO 4 28.431 16.292 1.051 21 HG2 PRO 4 2HG PRO 4 27.640 18.823 1.448 22 HG3 PRO 4 1HG PRO 4 27.357 17.979 -0.085 23 HD2 PRO 4 2HD PRO 4 25.449 18.547 2.143 24 HD3 PRO 4 1HD PRO 4 25.188 18.600 0.389 25 H GLU 5 H GLU 5 24.774 16.208 3.371 26 HA GLU 5 HA GLU 5 25.997 14.402 5.267 27 HB2 GLU 5 2HB GLU 5 23.517 16.102 5.546 28 HB3 GLU 5 1HB GLU 5 24.357 15.271 6.850 29 HG2 GLU 5 2HG GLU 5 25.347 17.589 5.212 30 HG3 GLU 5 1HG GLU 5 24.963 17.563 6.931 31 H ALA 6 H ALA 6 23.898 13.978 2.783 32 HA ALA 6 HA ALA 6 22.133 12.094 4.112 33 HB1 ALA 6 1HB ALA 6 22.385 12.846 1.195 34 HB2 ALA 6 2HB ALA 6 21.199 13.473 2.342 35 HB3 ALA 6 3HB ALA 6 21.158 11.774 1.874 36 H ASP 7 H ASP 7 22.644 10.023 4.385 37 HA ASP 7 HA ASP 7 25.081 8.914 3.549 38 HB2 ASP 7 2HB ASP 7 23.723 8.137 5.510 39 HB3 ASP 7 1HB ASP 7 22.600 7.395 4.376 40 HA PRO 8 HA PRO 8 24.139 8.061 -0.714 41 HB2 PRO 8 2HB PRO 8 26.248 6.370 -1.156 42 HB3 PRO 8 1HB PRO 8 26.363 8.135 -1.168 43 HG2 PRO 8 2HG PRO 8 27.029 6.202 1.023 44 HG3 PRO 8 1HG PRO 8 27.923 7.637 0.486 45 HD2 PRO 8 2HD PRO 8 26.384 7.682 2.679 46 HD3 PRO 8 1HD PRO 8 26.507 9.092 1.607 47 H ARG 9 H ARG 9 24.351 5.646 1.773 48 HA ARG 9 HA ARG 9 23.342 3.572 -0.025 49 HB2 ARG 9 2HB ARG 9 24.012 3.378 2.916 50 HB3 ARG 9 1HB ARG 9 23.663 2.037 1.834 51 HG2 ARG 9 2HG ARG 9 25.695 2.191 0.773 52 HG3 ARG 9 1HG ARG 9 25.920 3.884 1.216 53 HD2 ARG 9 2HD ARG 9 26.084 1.506 3.052 54 HD3 ARG 9 1HD ARG 9 27.427 2.495 2.485 55 HE ARG 9 HE ARG 9 25.665 4.217 3.739 56 HH11 ARG 9 1HH1 ARG 9 27.576 1.417 4.617 57 HH12 ARG 9 2HH1 ARG 9 27.789 1.924 6.264 58 HH21 ARG 9 1HH2 ARG 9 25.968 4.903 5.890 59 HH22 ARG 9 2HH2 ARG 9 26.884 3.903 6.984 60 H LEU 10 H LEU 10 22.356 5.631 2.613 61 HA LEU 10 HA LEU 10 19.898 4.352 3.181 62 HB2 LEU 10 2HB LEU 10 20.962 5.947 4.717 63 HB3 LEU 10 1HB LEU 10 20.700 7.235 3.557 64 HG LEU 10 HG LEU 10 18.209 6.742 3.788 65 HD11 LEU 10 1HD1 LEU 10 17.513 5.681 5.867 66 HD12 LEU 10 2HD1 LEU 10 19.193 5.295 6.241 67 HD13 LEU 10 3HD1 LEU 10 18.409 4.556 4.845 68 HD21 LEU 10 3HD2 LEU 10 19.751 7.802 6.146 69 HD22 LEU 10 1HD2 LEU 10 18.039 8.085 5.830 70 HD23 LEU 10 2HD2 LEU 10 19.258 8.717 4.722 71 H ILE 11 H ILE 11 20.893 6.782 0.861 72 HA ILE 11 HA ILE 11 18.233 7.421 0.014 73 HB ILE 11 HB ILE 11 20.251 8.941 -0.221 74 HG12 ILE 11 2HG1 ILE 11 18.686 8.440 -2.763 75 HG13 ILE 11 1HG1 ILE 11 18.063 9.306 -1.362 76 HG21 ILE 11 1HG2 ILE 11 21.632 8.687 -2.224 77 HG22 ILE 11 2HG2 ILE 11 20.838 7.151 -2.574 78 HG23 ILE 11 3HG2 ILE 11 21.824 7.322 -1.122 79 HD11 ILE 11 3HD1 ILE 11 19.792 11.003 -1.639 80 HD12 ILE 11 1HD1 ILE 11 18.803 10.838 -3.089 81 HD13 ILE 11 2HD1 ILE 11 20.419 10.133 -3.040 82 H GLU 12 H GLU 12 20.331 4.818 -0.522 83 HA GLU 12 HA GLU 12 19.557 4.128 -3.175 84 HB2 GLU 12 2HB GLU 12 20.815 2.520 -0.955 85 HB3 GLU 12 1HB GLU 12 20.496 1.863 -2.553 86 HG2 GLU 12 2HG GLU 12 22.124 4.340 -2.180 87 HG3 GLU 12 1HG GLU 12 22.833 2.735 -2.036 88 H SER 13 H SER 13 18.027 3.862 -0.138 89 HA SER 13 HA SER 13 16.500 1.553 -0.436 90 HB2 SER 13 2HB SER 13 15.487 4.084 0.859 91 HB3 SER 13 1HB SER 13 15.099 2.415 1.281 92 HG SER 13 HG SER 13 17.310 3.953 1.940 93 H LEU 14 H LEU 14 16.109 4.747 -1.802 94 HA LEU 14 HA LEU 14 13.453 4.289 -2.780 95 HB2 LEU 14 2HB LEU 14 15.522 6.405 -3.335 96 HB3 LEU 14 1HB LEU 14 13.995 6.354 -4.194 97 HG LEU 14 HG LEU 14 12.952 6.379 -1.799 98 HD11 LEU 14 1HD1 LEU 14 14.277 7.635 -0.180 99 HD12 LEU 14 2HD1 LEU 14 15.659 7.595 -1.276 100 HD13 LEU 14 3HD1 LEU 14 15.042 6.095 -0.579 101 HD21 LEU 14 3HD2 LEU 14 12.949 8.842 -1.850 102 HD22 LEU 14 1HD2 LEU 14 12.638 8.131 -3.434 103 HD23 LEU 14 2HD2 LEU 14 14.229 8.798 -3.064 104 H SER 15 H SER 15 16.720 4.261 -4.176 105 HA SER 15 HA SER 15 15.922 3.652 -6.815 106 HB2 SER 15 2HB SER 15 18.513 2.568 -6.316 107 HB3 SER 15 1HB SER 15 18.102 4.066 -7.151 108 HG SER 15 HG SER 15 19.418 3.902 -4.946 109 H GLN 16 H GLN 16 16.733 1.658 -4.026 110 HA GLN 16 HA GLN 16 16.929 -0.829 -5.261 111 HB2 GLN 16 2HB GLN 16 17.545 -0.417 -2.925 112 HB3 GLN 16 1HB GLN 16 15.855 -0.171 -2.510 113 HG2 GLN 16 2HG GLN 16 16.702 -2.384 -1.855 114 HG3 GLN 16 1HG GLN 16 15.351 -2.475 -2.985 115 HE21 GLN 16 1HE2 GLN 16 15.945 -4.572 -3.591 116 HE22 GLN 16 2HE2 GLN 16 17.292 -4.869 -4.622 117 H MET 17 H MET 17 14.053 0.808 -3.962 118 HA MET 17 HA MET 17 12.240 -1.277 -4.537 119 HB2 MET 17 2HB MET 17 11.700 1.696 -4.348 120 HB3 MET 17 1HB MET 17 10.480 0.431 -4.293 121 HG2 MET 17 2HG MET 17 12.617 1.017 -2.266 122 HG3 MET 17 1HG MET 17 10.869 1.148 -2.073 123 HE1 MET 17 3HE MET 17 9.251 -0.815 -1.714 124 HE2 MET 17 1HE MET 17 9.688 -2.519 -1.824 125 HE3 MET 17 2HE MET 17 9.682 -1.516 -3.275 126 H LEU 18 H LEU 18 13.267 1.560 -6.365 127 HA LEU 18 HA LEU 18 11.531 1.263 -8.554 128 HB2 LEU 18 2HB LEU 18 12.709 3.329 -8.195 129 HB3 LEU 18 1HB LEU 18 14.262 2.523 -8.312 130 HG LEU 18 HG LEU 18 13.752 2.023 -10.710 131 HD11 LEU 18 1HD1 LEU 18 11.426 3.873 -10.212 132 HD12 LEU 18 2HD1 LEU 18 11.342 2.170 -10.656 133 HD13 LEU 18 3HD1 LEU 18 11.989 3.347 -11.798 134 HD21 LEU 18 3HD2 LEU 18 15.201 3.861 -10.140 135 HD22 LEU 18 1HD2 LEU 18 13.815 4.916 -9.860 136 HD23 LEU 18 2HD2 LEU 18 14.165 4.332 -11.487 137 H SER 19 H SER 19 14.898 0.193 -8.108 138 HA SER 19 HA SER 19 15.138 -1.093 -10.601 139 HB2 SER 19 2HB SER 19 16.623 -1.713 -8.037 140 HB3 SER 19 1HB SER 19 17.146 -2.115 -9.673 141 HG SER 19 HG SER 19 18.180 -0.257 -9.275 142 H MET 20 H MET 20 13.692 -2.097 -7.609 143 HA MET 20 HA MET 20 13.674 -4.900 -8.215 144 HB2 MET 20 2HB MET 20 13.576 -4.028 -5.897 145 HB3 MET 20 1HB MET 20 11.999 -3.334 -6.245 146 HG2 MET 20 2HG MET 20 11.169 -5.634 -6.721 147 HG3 MET 20 1HG MET 20 12.722 -6.254 -6.166 148 HE1 MET 20 3HE MET 20 13.351 -4.214 -3.725 149 HE2 MET 20 1HE MET 20 13.643 -5.952 -3.754 150 HE3 MET 20 2HE MET 20 12.749 -5.230 -2.415 151 H GLY 21 H GLY 21 11.857 -2.205 -9.184 152 HA2 GLY 21 2HA GLY 21 10.350 -2.348 -11.019 153 HA3 GLY 21 1HA GLY 21 9.941 -3.984 -10.522 154 H PHE 22 H PHE 22 10.119 -1.772 -7.942 155 HA PHE 22 HA PHE 22 7.180 -1.684 -7.880 156 HB2 PHE 22 2HB PHE 22 8.811 -2.628 -5.947 157 HB3 PHE 22 1HB PHE 22 8.764 -0.936 -5.478 158 HD1 PHE 22 2HD PHE 22 5.774 -0.777 -6.657 159 HD2 PHE 22 1HD PHE 22 7.808 -3.175 -3.795 160 HE1 PHE 22 2HE PHE 22 3.650 -1.186 -5.493 161 HE2 PHE 22 1HE PHE 22 5.688 -3.589 -2.622 162 HZ PHE 22 HZ PHE 22 3.601 -2.594 -3.470 163 H SER 23 H SER 23 6.277 0.144 -8.347 164 HA SER 23 HA SER 23 7.244 2.663 -7.387 165 HB2 SER 23 2HB SER 23 7.277 2.061 -10.361 166 HB3 SER 23 1HB SER 23 7.357 3.686 -9.684 167 HG SER 23 HG SER 23 9.181 2.033 -8.530 168 H ASP 24 H ASP 24 5.483 3.836 -6.921 169 HA ASP 24 HA ASP 24 2.968 2.987 -8.162 170 HB2 ASP 24 2HB ASP 24 1.879 3.364 -6.199 171 HB3 ASP 24 1HB ASP 24 3.478 3.015 -5.557 172 H GLU 25 H GLU 25 1.281 4.891 -8.134 173 HA GLU 25 HA GLU 25 2.635 7.155 -9.447 174 HB2 GLU 25 2HB GLU 25 -0.031 7.057 -10.344 175 HB3 GLU 25 1HB GLU 25 1.426 6.697 -11.257 176 HG2 GLU 25 2HG GLU 25 0.033 4.841 -11.533 177 HG3 GLU 25 1HG GLU 25 1.250 4.338 -10.364 178 H GLY 26 H GLY 26 0.140 6.230 -7.174 179 HA2 GLY 26 2HA GLY 26 -0.995 8.870 -6.978 180 HA3 GLY 26 1HA GLY 26 -1.344 7.508 -5.927 181 H GLY 27 H GLY 27 1.717 7.331 -5.599 182 HA2 GLY 27 2HA GLY 27 3.379 8.506 -4.405 183 HA3 GLY 27 1HA GLY 27 2.170 9.697 -3.933 184 H TRP 28 H TRP 28 1.645 6.238 -3.713 185 HA TRP 28 HA TRP 28 1.319 6.602 -0.838 186 HB2 TRP 28 2HB TRP 28 0.040 4.611 -0.784 187 HB3 TRP 28 1HB TRP 28 -0.472 5.483 -2.214 188 HD1 TRP 28 HD TRP 28 -0.223 4.277 -4.521 189 HE1 TRP 28 1HE TRP 28 0.466 1.896 -5.215 190 HE3 TRP 28 3HE TRP 28 1.693 2.642 -0.067 191 HZ2 TRP 28 2HZ TRP 28 1.642 -0.374 -4.036 192 HZ3 TRP 28 3HZ TRP 28 2.567 0.346 0.062 193 HH2 TRP 28 HH TRP 28 2.543 -1.128 -1.879 194 H LEU 29 H LEU 29 3.395 4.932 -3.113 195 HA LEU 29 HA LEU 29 4.640 3.260 -1.155 196 HB2 LEU 29 2HB LEU 29 4.700 2.773 -3.585 197 HB3 LEU 29 1HB LEU 29 5.708 4.187 -3.826 198 HG LEU 29 HG LEU 29 7.386 3.083 -2.252 199 HD11 LEU 29 1HD1 LEU 29 7.256 0.677 -2.022 200 HD12 LEU 29 2HD1 LEU 29 5.714 0.656 -2.877 201 HD13 LEU 29 3HD1 LEU 29 5.837 1.438 -1.299 202 HD21 LEU 29 3HD2 LEU 29 6.736 1.901 -4.947 203 HD22 LEU 29 1HD2 LEU 29 8.225 1.570 -4.060 204 HD23 LEU 29 2HD2 LEU 29 7.860 3.212 -4.587 205 H THR 30 H THR 30 5.219 6.468 -2.437 206 HA THR 30 HA THR 30 7.755 6.853 -1.235 207 HB THR 30 HB THR 30 6.738 8.212 -3.145 208 HG1 THR 30 1HG THR 30 8.244 9.141 -0.995 209 HG21 THR 30 3HG2 THR 30 5.471 9.711 -0.847 210 HG22 THR 30 1HG2 THR 30 4.602 8.753 -2.047 211 HG23 THR 30 2HG2 THR 30 5.470 10.207 -2.540 212 H ARG 31 H ARG 31 4.586 6.810 0.003 213 HA ARG 31 HA ARG 31 5.264 8.361 2.388 214 HB2 ARG 31 2HB ARG 31 2.703 7.115 1.383 215 HB3 ARG 31 1HB ARG 31 2.848 7.788 3.001 216 HG2 ARG 31 2HG ARG 31 3.522 9.430 0.593 217 HG3 ARG 31 1HG ARG 31 1.852 9.243 1.134 218 HD2 ARG 31 2HD ARG 31 3.274 9.834 3.444 219 HD3 ARG 31 1HD ARG 31 3.972 10.890 2.216 220 HE ARG 31 HE ARG 31 1.131 10.813 2.998 221 HH11 ARG 31 1HH1 ARG 31 3.871 12.479 1.581 222 HH12 ARG 31 2HH1 ARG 31 2.993 13.948 1.309 223 HH21 ARG 31 1HH2 ARG 31 -0.020 12.750 2.656 224 HH22 ARG 31 2HH2 ARG 31 0.779 14.109 1.934 225 H LEU 32 H LEU 32 4.524 5.120 1.304 226 HA LEU 32 HA LEU 32 4.317 3.795 3.743 227 HB2 LEU 32 2HB LEU 32 3.810 2.881 1.464 228 HB3 LEU 32 1HB LEU 32 5.534 2.715 1.198 229 HG LEU 32 HG LEU 32 5.280 1.328 3.499 230 HD11 LEU 32 1HD1 LEU 32 2.856 1.630 3.573 231 HD12 LEU 32 2HD1 LEU 32 3.287 -0.067 3.368 232 HD13 LEU 32 3HD1 LEU 32 2.710 0.869 1.989 233 HD21 LEU 32 3HD2 LEU 32 5.348 -0.685 2.111 234 HD22 LEU 32 1HD2 LEU 32 6.394 0.578 1.463 235 HD23 LEU 32 2HD2 LEU 32 4.829 0.260 0.715 236 H LEU 33 H LEU 33 7.155 4.632 1.825 237 HA LEU 33 HA LEU 33 9.045 3.211 3.381 238 HB2 LEU 33 2HB LEU 33 9.399 5.613 1.591 239 HB3 LEU 33 1HB LEU 33 10.715 4.661 2.257 240 HG LEU 33 HG LEU 33 8.610 3.636 0.343 241 HD11 LEU 33 1HD1 LEU 33 10.392 3.615 -1.299 242 HD12 LEU 33 2HD1 LEU 33 11.525 4.269 -0.115 243 HD13 LEU 33 3HD1 LEU 33 10.166 5.247 -0.670 244 HD21 LEU 33 3HD2 LEU 33 9.368 1.851 1.757 245 HD22 LEU 33 1HD2 LEU 33 11.052 2.331 1.545 246 HD23 LEU 33 2HD2 LEU 33 10.140 1.680 0.182 247 H GLN 34 H GLN 34 7.257 5.956 4.130 248 HA GLN 34 HA GLN 34 9.315 7.099 5.858 249 HB2 GLN 34 2HB GLN 34 6.480 8.051 5.417 250 HB3 GLN 34 1HB GLN 34 7.774 8.935 6.209 251 HG2 GLN 34 2HG GLN 34 7.620 8.186 3.299 252 HG3 GLN 34 1HG GLN 34 7.419 9.795 3.990 253 HE21 GLN 34 1HE2 GLN 34 9.323 8.724 2.018 254 HE22 GLN 34 2HE2 GLN 34 10.899 9.100 2.639 255 H THR 35 H THR 35 5.947 5.974 6.134 256 HA THR 35 HA THR 35 6.039 5.951 8.994 257 HB THR 35 HB THR 35 3.867 4.389 7.940 258 HG1 THR 35 1HG THR 35 4.142 6.992 6.794 259 HG21 THR 35 3HG2 THR 35 3.764 5.604 10.034 260 HG22 THR 35 1HG2 THR 35 2.535 6.228 8.933 261 HG23 THR 35 2HG2 THR 35 4.027 7.133 9.194 262 H LYS 36 H LYS 36 6.403 3.516 6.466 263 HA LYS 36 HA LYS 36 6.505 1.407 8.494 264 HB2 LYS 36 2HB LYS 36 6.258 1.406 5.508 265 HB3 LYS 36 1HB LYS 36 6.834 -0.036 6.335 266 HG2 LYS 36 2HG LYS 36 4.540 -0.375 6.086 267 HG3 LYS 36 1HG LYS 36 4.728 0.145 7.762 268 HD2 LYS 36 2HD LYS 36 4.068 2.407 7.152 269 HD3 LYS 36 1HD LYS 36 3.935 1.930 5.457 270 HE2 LYS 36 2HE LYS 36 1.734 1.899 6.290 271 HE3 LYS 36 1HE LYS 36 2.236 0.210 6.238 272 HZ1 LYS 36 3HZ LYS 36 1.177 0.562 8.300 273 HZ2 LYS 36 1HZ LYS 36 2.056 1.976 8.615 274 HZ3 LYS 36 2HZ LYS 36 2.826 0.467 8.638 275 H ASN 37 H ASN 37 8.578 3.582 7.412 276 HA ASN 37 HA ASN 37 10.833 3.820 7.578 277 HB2 ASN 37 2HB ASN 37 10.722 2.228 9.485 278 HB3 ASN 37 1HB ASN 37 10.907 0.893 8.355 279 HD21 ASN 37 1HD2 ASN 37 12.824 0.133 9.104 280 HD22 ASN 37 2HD2 ASN 37 14.305 1.016 9.010 281 H TYR 38 H TYR 38 12.856 3.163 6.467 282 HA TYR 38 HA TYR 38 12.265 2.417 3.739 283 HB2 TYR 38 2HB TYR 38 14.825 3.258 5.112 284 HB3 TYR 38 1HB TYR 38 14.707 2.902 3.393 285 HD1 TYR 38 1HD TYR 38 13.398 4.401 1.906 286 HD2 TYR 38 2HD TYR 38 14.011 5.318 6.017 287 HE1 TYR 38 1HE TYR 38 12.754 6.737 1.476 288 HE2 TYR 38 2HE TYR 38 13.366 7.655 5.599 289 HH TYR 38 HH TYR 38 12.901 9.186 4.035 290 H ASP 39 H ASP 39 11.885 0.314 5.608 291 HA ASP 39 HA ASP 39 14.166 -1.471 5.211 292 HB2 ASP 39 2HB ASP 39 12.853 -1.190 7.446 293 HB3 ASP 39 1HB ASP 39 11.652 -2.224 6.677 294 H ILE 40 H ILE 40 14.138 -2.223 3.208 295 HA ILE 40 HA ILE 40 11.935 -2.669 1.569 296 HB ILE 40 HB ILE 40 14.644 -3.996 1.499 297 HG12 ILE 40 2HG1 ILE 40 14.524 -2.207 -0.576 298 HG13 ILE 40 1HG1 ILE 40 13.615 -1.368 0.678 299 HG21 ILE 40 1HG2 ILE 40 13.075 -5.313 0.221 300 HG22 ILE 40 2HG2 ILE 40 14.154 -4.444 -0.874 301 HG23 ILE 40 3HG2 ILE 40 12.508 -3.868 -0.617 302 HD11 ILE 40 3HD1 ILE 40 16.429 -2.413 0.917 303 HD12 ILE 40 1HD1 ILE 40 15.525 -1.596 2.192 304 HD13 ILE 40 2HD1 ILE 40 15.950 -0.728 0.717 305 H GLY 41 H GLY 41 13.630 -4.905 3.729 306 HA2 GLY 41 2HA GLY 41 12.346 -7.279 2.979 307 HA3 GLY 41 1HA GLY 41 13.045 -6.964 4.560 308 H ALA 42 H ALA 42 11.511 -4.975 5.539 309 HA ALA 42 HA ALA 42 9.215 -6.317 6.455 310 HB1 ALA 42 1HB ALA 42 8.611 -4.155 7.480 311 HB2 ALA 42 2HB ALA 42 9.907 -3.385 6.567 312 HB3 ALA 42 3HB ALA 42 10.289 -4.604 7.782 313 H ALA 43 H ALA 43 9.665 -3.809 4.016 314 HA ALA 43 HA ALA 43 6.984 -3.257 3.467 315 HB1 ALA 43 1HB ALA 43 9.323 -3.139 1.565 316 HB2 ALA 43 2HB ALA 43 8.848 -1.871 2.696 317 HB3 ALA 43 3HB ALA 43 7.776 -2.313 1.366 318 H LEU 44 H LEU 44 9.163 -5.614 1.959 319 HA LEU 44 HA LEU 44 7.431 -6.549 -0.029 320 HB2 LEU 44 2HB LEU 44 9.927 -7.408 1.216 321 HB3 LEU 44 1HB LEU 44 8.944 -8.748 0.659 322 HG LEU 44 HG LEU 44 8.907 -7.797 -1.598 323 HD11 LEU 44 1HD1 LEU 44 10.745 -5.691 -0.463 324 HD12 LEU 44 2HD1 LEU 44 9.090 -5.432 -1.019 325 HD13 LEU 44 3HD1 LEU 44 10.342 -5.906 -2.166 326 HD21 LEU 44 3HD2 LEU 44 10.638 -9.388 -1.029 327 HD22 LEU 44 1HD2 LEU 44 11.659 -8.089 -0.411 328 HD23 LEU 44 2HD2 LEU 44 11.272 -8.166 -2.130 329 H ASP 45 H ASP 45 7.856 -7.596 3.318 330 HA ASP 45 HA ASP 45 6.027 -9.795 3.076 331 HB2 ASP 45 2HB ASP 45 7.886 -9.744 4.729 332 HB3 ASP 45 1HB ASP 45 7.040 -8.462 5.591 333 H THR 46 H THR 46 5.702 -6.438 3.651 334 HA THR 46 HA THR 46 3.327 -6.416 5.163 335 HB THR 46 HB THR 46 4.351 -4.361 3.195 336 HG1 THR 46 1HG THR 46 5.730 -4.853 5.034 337 HG21 THR 46 3HG2 THR 46 1.965 -4.044 3.668 338 HG22 THR 46 1HG2 THR 46 2.938 -2.761 4.388 339 HG23 THR 46 2HG2 THR 46 2.306 -4.061 5.399 340 H ILE 47 H ILE 47 3.919 -6.725 1.703 341 HA ILE 47 HA ILE 47 1.006 -6.825 1.271 342 HB ILE 47 HB ILE 47 1.452 -6.352 -1.092 343 HG12 ILE 47 2HG1 ILE 47 4.322 -5.812 -0.355 344 HG13 ILE 47 1HG1 ILE 47 3.811 -7.389 -0.950 345 HG21 ILE 47 1HG2 ILE 47 2.876 -4.311 0.604 346 HG22 ILE 47 2HG2 ILE 47 1.127 -4.537 0.641 347 HG23 ILE 47 3HG2 ILE 47 1.921 -4.042 -0.854 348 HD11 ILE 47 3HD1 ILE 47 2.993 -6.337 -3.001 349 HD12 ILE 47 1HD1 ILE 47 4.713 -6.045 -2.748 350 HD13 ILE 47 2HD1 ILE 47 3.540 -4.771 -2.409 351 H GLN 48 H GLN 48 3.045 -8.994 2.073 352 HA GLN 48 HA GLN 48 3.176 -11.251 1.847 353 HB2 GLN 48 2HB GLN 48 0.802 -10.688 0.128 354 HB3 GLN 48 1HB GLN 48 1.565 -12.265 0.007 355 HG2 GLN 48 2HG GLN 48 0.688 -11.092 2.621 356 HG3 GLN 48 1HG GLN 48 -0.366 -12.075 1.607 357 HE21 GLN 48 1HE2 GLN 48 0.567 -12.624 4.282 358 HE22 GLN 48 2HE2 GLN 48 1.452 -14.107 4.206 359 H TYR 49 H TYR 49 2.824 -9.745 -1.357 360 HA TYR 49 HA TYR 49 4.349 -11.624 -2.776 361 HB2 TYR 49 2HB TYR 49 3.956 -8.684 -3.376 362 HB3 TYR 49 1HB TYR 49 4.506 -9.902 -4.520 363 HD1 TYR 49 1HD TYR 49 2.868 -11.918 -4.886 364 HD2 TYR 49 2HD TYR 49 1.700 -8.151 -3.288 365 HE1 TYR 49 1HE TYR 49 0.539 -12.365 -5.537 366 HE2 TYR 49 2HE TYR 49 -0.635 -8.593 -3.938 367 HH TYR 49 HH TYR 49 -1.913 -9.930 -5.402 368 H SER 50 H SER 50 6.345 -12.155 -2.134 369 HA SER 50 HA SER 50 8.318 -9.985 -1.907 370 HB2 SER 50 2HB SER 50 8.407 -12.494 -0.229 371 HB3 SER 50 1HB SER 50 9.378 -11.033 -0.043 372 HG SER 50 HG SER 50 6.869 -10.266 0.087 373 H LYS 51 H LYS 51 7.509 -13.190 -2.951 374 HA LYS 51 HA LYS 51 10.197 -13.580 -4.053 375 HB2 LYS 51 2HB LYS 51 7.889 -15.515 -3.803 376 HB3 LYS 51 1HB LYS 51 9.472 -15.913 -4.450 377 HG2 LYS 51 2HG LYS 51 10.506 -15.715 -2.359 378 HG3 LYS 51 1HG LYS 51 9.138 -14.838 -1.671 379 HD2 LYS 51 2HD LYS 51 8.982 -17.007 -0.778 380 HD3 LYS 51 1HD LYS 51 7.787 -16.963 -2.071 381 HE2 LYS 51 2HE LYS 51 10.466 -17.843 -2.894 382 HE3 LYS 51 1HE LYS 51 9.652 -18.914 -1.759 383 HZ1 LYS 51 3HZ LYS 51 8.395 -17.945 -4.260 384 HZ2 LYS 51 1HZ LYS 51 7.843 -19.176 -3.244 385 HZ3 LYS 51 2HZ LYS 51 9.251 -19.399 -4.159 386 H HIS 52 H HIS 52 6.779 -13.760 -5.014 387 HA HIS 52 HA HIS 52 7.288 -12.537 -7.538 388 HB2 HIS 52 2HB HIS 52 7.980 -15.061 -7.745 389 HB3 HIS 52 1HB HIS 52 6.242 -15.341 -7.778 390 HD1 HIS 52 1HD HIS 52 5.189 -13.245 -9.585 391 HD2 HIS 52 2HD HIS 52 8.812 -15.149 -10.306 392 HE1 HIS 52 1HE HIS 52 5.622 -12.963 -12.047 393 HE2 HIS 52 2HE HIS 52 7.907 -13.956 -12.417 394 H1 GLY 1 1HT GLY 1 -16.817 19.399 2.372 395 H2 GLY 1 2HT GLY 1 -16.823 20.186 3.865 396 H3 GLY 1 3HT GLY 1 -18.118 20.389 2.799 397 HA2 GLY 1 1HA GLY 1 -17.382 17.945 4.301 398 HA3 GLY 1 2HA GLY 1 -18.847 18.902 4.465 399 H SER 2 H SER 2 -19.529 16.474 4.127 400 HA SER 2 HA SER 2 -19.534 15.588 1.391 401 HB2 SER 2 2HB SER 2 -21.451 14.314 3.202 402 HB3 SER 2 1HB SER 2 -20.113 13.602 2.296 403 HG SER 2 HG SER 2 -19.093 13.532 4.125 404 HA PRO 3 HA PRO 3 -23.321 17.928 0.668 405 HB2 PRO 3 2HB PRO 3 -23.011 18.271 -1.956 406 HB3 PRO 3 1HB PRO 3 -21.992 19.144 -0.805 407 HG2 PRO 3 2HG PRO 3 -21.345 16.766 -2.482 408 HG3 PRO 3 1HG PRO 3 -20.316 18.130 -2.022 409 HD2 PRO 3 2HD PRO 3 -20.366 15.602 -0.799 410 HD3 PRO 3 1HD PRO 3 -19.608 17.066 -0.144 411 HA PRO 4 HA PRO 4 -26.146 14.791 -0.715 412 HB2 PRO 4 2HB PRO 4 -27.618 16.807 -2.284 413 HB3 PRO 4 1HB PRO 4 -28.156 15.850 -0.900 414 HG2 PRO 4 2HG PRO 4 -27.676 18.475 -0.687 415 HG3 PRO 4 1HG PRO 4 -27.307 17.354 0.635 416 HD2 PRO 4 2HD PRO 4 -25.457 18.599 -1.365 417 HD3 PRO 4 1HD PRO 4 -25.225 18.336 0.376 418 H GLU 5 H GLU 5 -24.154 16.412 -2.829 419 HA GLU 5 HA GLU 5 -25.194 15.371 -5.303 420 HB2 GLU 5 2HB GLU 5 -22.523 16.657 -4.712 421 HB3 GLU 5 1HB GLU 5 -23.210 16.377 -6.306 422 HG2 GLU 5 2HG GLU 5 -24.599 18.070 -4.260 423 HG3 GLU 5 1HG GLU 5 -23.373 18.725 -5.343 424 H ALA 6 H ALA 6 -23.286 14.169 -2.779 425 HA ALA 6 HA ALA 6 -21.855 12.279 -4.484 426 HB1 ALA 6 1HB ALA 6 -21.704 12.661 -1.496 427 HB2 ALA 6 2HB ALA 6 -20.614 13.381 -2.679 428 HB3 ALA 6 3HB ALA 6 -20.655 11.631 -2.472 429 H ASP 7 H ASP 7 -22.114 10.053 -4.349 430 HA ASP 7 HA ASP 7 -24.757 9.177 -3.657 431 HB2 ASP 7 2HB ASP 7 -23.526 8.320 -5.649 432 HB3 ASP 7 1HB ASP 7 -22.399 7.510 -4.565 433 HA PRO 8 HA PRO 8 -23.908 8.129 0.559 434 HB2 PRO 8 2HB PRO 8 -26.025 6.398 0.887 435 HB3 PRO 8 1HB PRO 8 -26.142 8.159 0.993 436 HG2 PRO 8 2HG PRO 8 -26.789 6.345 -1.294 437 HG3 PRO 8 1HG PRO 8 -27.663 7.774 -0.715 438 HD2 PRO 8 2HD PRO 8 -26.084 7.875 -2.879 439 HD3 PRO 8 1HD PRO 8 -26.210 9.245 -1.758 440 H ARG 9 H ARG 9 -24.144 5.729 -1.975 441 HA ARG 9 HA ARG 9 -23.169 3.613 -0.220 442 HB2 ARG 9 2HB ARG 9 -23.735 3.547 -3.188 443 HB3 ARG 9 1HB ARG 9 -23.388 2.156 -2.174 444 HG2 ARG 9 2HG ARG 9 -25.454 2.202 -1.160 445 HG3 ARG 9 1HG ARG 9 -25.705 3.912 -1.519 446 HD2 ARG 9 2HD ARG 9 -25.729 1.658 -3.522 447 HD3 ARG 9 1HD ARG 9 -27.144 2.503 -2.894 448 HE ARG 9 HE ARG 9 -25.418 4.410 -4.003 449 HH11 ARG 9 1HH1 ARG 9 -27.378 1.705 -5.043 450 HH12 ARG 9 2HH1 ARG 9 -27.703 2.369 -6.611 451 HH21 ARG 9 1HH2 ARG 9 -25.836 5.305 -6.060 452 HH22 ARG 9 2HH2 ARG 9 -26.813 4.420 -7.201 453 H LEU 10 H LEU 10 -22.096 5.686 -2.821 454 HA LEU 10 HA LEU 10 -19.622 4.446 -3.347 455 HB2 LEU 10 2HB LEU 10 -20.668 6.082 -4.842 456 HB3 LEU 10 1HB LEU 10 -20.426 7.341 -3.646 457 HG LEU 10 HG LEU 10 -17.943 6.957 -3.883 458 HD11 LEU 10 1HD1 LEU 10 -17.198 5.835 -5.954 459 HD12 LEU 10 2HD1 LEU 10 -18.853 5.297 -6.234 460 HD13 LEU 10 3HD1 LEU 10 -17.966 4.725 -4.820 461 HD21 LEU 10 3HD2 LEU 10 -19.453 7.813 -6.352 462 HD22 LEU 10 1HD2 LEU 10 -17.782 8.220 -5.969 463 HD23 LEU 10 2HD2 LEU 10 -19.092 8.829 -4.957 464 H ILE 11 H ILE 11 -20.589 6.930 -1.054 465 HA ILE 11 HA ILE 11 -17.918 7.431 -0.125 466 HB ILE 11 HB ILE 11 -19.788 9.111 -0.071 467 HG12 ILE 11 2HG1 ILE 11 -18.553 8.590 2.640 468 HG13 ILE 11 1HG1 ILE 11 -17.688 9.306 1.285 469 HG21 ILE 11 1HG2 ILE 11 -21.330 9.027 1.866 470 HG22 ILE 11 2HG2 ILE 11 -20.761 7.392 2.199 471 HG23 ILE 11 3HG2 ILE 11 -21.604 7.741 0.690 472 HD11 ILE 11 3HD1 ILE 11 -19.216 11.190 1.280 473 HD12 ILE 11 1HD1 ILE 11 -18.473 10.989 2.866 474 HD13 ILE 11 2HD1 ILE 11 -20.134 10.463 2.598 475 H GLU 12 H GLU 12 -20.034 4.893 0.358 476 HA GLU 12 HA GLU 12 -19.378 4.393 3.125 477 HB2 GLU 12 2HB GLU 12 -21.174 3.225 1.106 478 HB3 GLU 12 1HB GLU 12 -20.508 2.079 2.264 479 HG2 GLU 12 2HG GLU 12 -21.986 4.604 2.971 480 HG3 GLU 12 1HG GLU 12 -22.669 2.977 2.970 481 H SER 13 H SER 13 -17.967 3.707 0.104 482 HA SER 13 HA SER 13 -16.732 1.248 0.625 483 HB2 SER 13 2HB SER 13 -15.595 3.502 -1.047 484 HB3 SER 13 1HB SER 13 -15.251 1.778 -1.203 485 HG SER 13 HG SER 13 -16.876 2.796 -2.680 486 H LEU 14 H LEU 14 -16.002 4.471 1.692 487 HA LEU 14 HA LEU 14 -13.321 3.940 2.526 488 HB2 LEU 14 2HB LEU 14 -15.241 6.150 3.275 489 HB3 LEU 14 1HB LEU 14 -13.563 6.092 3.778 490 HG LEU 14 HG LEU 14 -13.471 5.818 0.998 491 HD11 LEU 14 1HD1 LEU 14 -14.715 7.765 0.191 492 HD12 LEU 14 2HD1 LEU 14 -15.433 7.968 1.789 493 HD13 LEU 14 3HD1 LEU 14 -15.789 6.527 0.837 494 HD21 LEU 14 3HD2 LEU 14 -13.063 8.271 2.704 495 HD22 LEU 14 1HD2 LEU 14 -12.418 8.013 1.082 496 HD23 LEU 14 2HD2 LEU 14 -11.874 7.001 2.420 497 H SER 15 H SER 15 -16.436 4.243 4.233 498 HA SER 15 HA SER 15 -15.439 3.670 6.798 499 HB2 SER 15 2HB SER 15 -18.191 2.784 6.264 500 HB3 SER 15 1HB SER 15 -17.590 3.957 7.437 501 HG SER 15 HG SER 15 -18.928 4.561 5.367 502 H GLN 16 H GLN 16 -16.530 1.598 4.172 503 HA GLN 16 HA GLN 16 -16.775 -0.805 5.587 504 HB2 GLN 16 2HB GLN 16 -17.506 -0.382 3.223 505 HB3 GLN 16 1HB GLN 16 -15.821 -0.521 2.734 506 HG2 GLN 16 2HG GLN 16 -16.966 -2.592 2.326 507 HG3 GLN 16 1HG GLN 16 -15.776 -2.814 3.604 508 HE21 GLN 16 1HE2 GLN 16 -16.827 -4.627 4.402 509 HE22 GLN 16 2HE2 GLN 16 -18.315 -4.518 5.281 510 H MET 17 H MET 17 -13.962 0.614 3.948 511 HA MET 17 HA MET 17 -12.187 -1.512 4.489 512 HB2 MET 17 2HB MET 17 -11.679 1.417 3.946 513 HB3 MET 17 1HB MET 17 -10.396 0.225 4.106 514 HG2 MET 17 2HG MET 17 -12.556 0.290 2.012 515 HG3 MET 17 1HG MET 17 -10.839 0.619 1.784 516 HE1 MET 17 3HE MET 17 -8.953 -1.199 1.866 517 HE2 MET 17 1HE MET 17 -9.222 -2.896 2.263 518 HE3 MET 17 2HE MET 17 -9.426 -1.656 3.502 519 H LEU 18 H LEU 18 -12.973 1.451 6.233 520 HA LEU 18 HA LEU 18 -11.048 1.189 8.274 521 HB2 LEU 18 2HB LEU 18 -12.201 3.291 7.825 522 HB3 LEU 18 1HB LEU 18 -13.731 2.578 8.302 523 HG LEU 18 HG LEU 18 -12.775 2.272 10.609 524 HD11 LEU 18 1HD1 LEU 18 -10.576 4.015 9.500 525 HD12 LEU 18 2HD1 LEU 18 -10.411 2.349 10.051 526 HD13 LEU 18 3HD1 LEU 18 -10.815 3.623 11.202 527 HD21 LEU 18 3HD2 LEU 18 -14.272 4.129 9.992 528 HD22 LEU 18 1HD2 LEU 18 -12.861 5.107 9.589 529 HD23 LEU 18 2HD2 LEU 18 -13.120 4.577 11.252 530 H SER 19 H SER 19 -14.450 0.194 8.080 531 HA SER 19 HA SER 19 -14.611 -0.901 10.676 532 HB2 SER 19 2HB SER 19 -16.579 -0.307 9.240 533 HB3 SER 19 1HB SER 19 -16.228 -1.722 8.246 534 HG SER 19 HG SER 19 -16.318 -2.363 10.876 535 H MET 20 H MET 20 -13.329 -2.109 7.693 536 HA MET 20 HA MET 20 -13.355 -4.873 8.378 537 HB2 MET 20 2HB MET 20 -13.102 -3.791 6.051 538 HB3 MET 20 1HB MET 20 -11.409 -3.587 6.480 539 HG2 MET 20 2HG MET 20 -11.272 -6.037 6.859 540 HG3 MET 20 1HG MET 20 -12.919 -6.183 6.256 541 HE1 MET 20 3HE MET 20 -13.616 -5.244 3.836 542 HE2 MET 20 1HE MET 20 -12.461 -4.858 2.561 543 HE3 MET 20 2HE MET 20 -12.658 -3.768 3.931 544 H GLY 21 H GLY 21 -11.384 -2.202 9.228 545 HA2 GLY 21 2HA GLY 21 -9.947 -2.399 11.152 546 HA3 GLY 21 1HA GLY 21 -9.549 -4.032 10.639 547 H PHE 22 H PHE 22 -9.679 -1.871 8.053 548 HA PHE 22 HA PHE 22 -6.749 -1.739 8.026 549 HB2 PHE 22 2HB PHE 22 -8.793 -1.774 5.811 550 HB3 PHE 22 1HB PHE 22 -7.138 -1.239 5.530 551 HD1 PHE 22 2HD PHE 22 -5.256 -2.843 5.976 552 HD2 PHE 22 1HD PHE 22 -9.336 -4.054 5.894 553 HE1 PHE 22 2HE PHE 22 -4.553 -5.186 5.672 554 HE2 PHE 22 1HE PHE 22 -8.643 -6.396 5.592 555 HZ PHE 22 HZ PHE 22 -6.245 -6.965 5.479 556 H SER 23 H SER 23 -5.821 0.140 8.345 557 HA SER 23 HA SER 23 -7.078 2.605 7.472 558 HB2 SER 23 2HB SER 23 -6.536 3.548 9.847 559 HB3 SER 23 1HB SER 23 -8.026 2.639 9.608 560 HG SER 23 HG SER 23 -5.720 1.238 10.345 561 H ASP 24 H ASP 24 -5.587 4.199 7.028 562 HA ASP 24 HA ASP 24 -2.791 3.341 7.223 563 HB2 ASP 24 2HB ASP 24 -2.350 4.989 5.424 564 HB3 ASP 24 1HB ASP 24 -3.482 3.730 4.954 565 H GLU 25 H GLU 25 -1.183 4.706 7.875 566 HA GLU 25 HA GLU 25 -2.065 6.928 9.588 567 HB2 GLU 25 2HB GLU 25 0.633 6.223 10.138 568 HB3 GLU 25 1HB GLU 25 -0.769 6.014 11.175 569 HG2 GLU 25 2HG GLU 25 0.158 3.887 11.037 570 HG3 GLU 25 1HG GLU 25 -1.176 3.849 9.888 571 H GLY 26 H GLY 26 0.340 5.892 7.222 572 HA2 GLY 26 2HA GLY 26 1.519 8.529 7.055 573 HA3 GLY 26 1HA GLY 26 1.948 7.130 6.083 574 H GLY 27 H GLY 27 -1.274 7.226 5.850 575 HA2 GLY 27 2HA GLY 27 -2.810 8.192 4.413 576 HA3 GLY 27 1HA GLY 27 -1.608 9.408 4.005 577 H TRP 28 H TRP 28 -1.200 5.923 3.759 578 HA TRP 28 HA TRP 28 -0.628 6.280 0.921 579 HB2 TRP 28 2HB TRP 28 0.518 4.169 1.015 580 HB3 TRP 28 1HB TRP 28 1.034 5.137 2.385 581 HD1 TRP 28 HD TRP 28 0.232 4.316 4.833 582 HE1 TRP 28 1HE TRP 28 -0.498 1.997 5.678 583 HE3 TRP 28 3HE TRP 28 -0.718 2.075 0.333 584 HZ2 TRP 28 2HZ TRP 28 -1.365 -0.466 4.569 585 HZ3 TRP 28 3HZ TRP 28 -1.497 -0.255 0.316 586 HH2 TRP 28 HH TRP 28 -1.814 -1.498 2.389 587 H LEU 29 H LEU 29 -3.015 4.888 3.001 588 HA LEU 29 HA LEU 29 -4.100 3.162 0.939 589 HB2 LEU 29 2HB LEU 29 -4.130 2.569 3.381 590 HB3 LEU 29 1HB LEU 29 -5.297 3.853 3.623 591 HG LEU 29 HG LEU 29 -6.773 2.631 1.938 592 HD11 LEU 29 1HD1 LEU 29 -4.954 1.193 1.049 593 HD12 LEU 29 2HD1 LEU 29 -6.376 0.297 1.582 594 HD13 LEU 29 3HD1 LEU 29 -4.929 0.340 2.592 595 HD21 LEU 29 3HD2 LEU 29 -6.104 1.393 4.603 596 HD22 LEU 29 1HD2 LEU 29 -7.545 1.015 3.658 597 HD23 LEU 29 2HD2 LEU 29 -7.302 2.648 4.278 598 H THR 30 H THR 30 -4.845 6.235 2.504 599 HA THR 30 HA THR 30 -7.346 6.620 1.249 600 HB THR 30 HB THR 30 -6.441 7.900 3.252 601 HG1 THR 30 1HG THR 30 -8.364 8.515 2.126 602 HG21 THR 30 3HG2 THR 30 -5.063 9.455 1.065 603 HG22 THR 30 1HG2 THR 30 -4.298 8.600 2.405 604 HG23 THR 30 2HG2 THR 30 -5.278 10.032 2.718 605 H ARG 31 H ARG 31 -4.079 7.048 0.152 606 HA ARG 31 HA ARG 31 -4.909 8.535 -2.206 607 HB2 ARG 31 2HB ARG 31 -2.178 7.542 -1.347 608 HB3 ARG 31 1HB ARG 31 -2.488 8.515 -2.781 609 HG2 ARG 31 2HG ARG 31 -3.683 9.938 -0.721 610 HG3 ARG 31 1HG ARG 31 -2.182 9.329 -0.022 611 HD2 ARG 31 2HD ARG 31 -2.228 10.665 -2.706 612 HD3 ARG 31 1HD ARG 31 -2.147 11.605 -1.220 613 HE ARG 31 HE ARG 31 -0.156 9.514 -1.552 614 HH11 ARG 31 1HH1 ARG 31 -0.940 12.913 -1.797 615 HH12 ARG 31 2HH1 ARG 31 0.714 13.430 -1.774 616 HH21 ARG 31 1HH2 ARG 31 2.031 10.192 -1.521 617 HH22 ARG 31 2HH2 ARG 31 2.402 11.887 -1.616 618 H LEU 32 H LEU 32 -4.480 5.342 -1.176 619 HA LEU 32 HA LEU 32 -3.806 4.105 -3.641 620 HB2 LEU 32 2HB LEU 32 -3.606 3.147 -1.277 621 HB3 LEU 32 1HB LEU 32 -5.329 2.837 -1.367 622 HG LEU 32 HG LEU 32 -4.470 1.636 -3.655 623 HD11 LEU 32 1HD1 LEU 32 -2.132 2.075 -3.140 624 HD12 LEU 32 2HD1 LEU 32 -2.477 0.345 -3.105 625 HD13 LEU 32 3HD1 LEU 32 -2.308 1.242 -1.595 626 HD21 LEU 32 3HD2 LEU 32 -4.724 -0.462 -2.440 627 HD22 LEU 32 1HD2 LEU 32 -5.976 0.689 -1.979 628 HD23 LEU 32 2HD2 LEU 32 -4.604 0.402 -0.907 629 H LEU 33 H LEU 33 -6.817 4.849 -1.981 630 HA LEU 33 HA LEU 33 -8.549 3.528 -3.807 631 HB2 LEU 33 2HB LEU 33 -9.102 5.799 -1.895 632 HB3 LEU 33 1HB LEU 33 -10.326 4.855 -2.719 633 HG LEU 33 HG LEU 33 -8.343 3.704 -0.759 634 HD11 LEU 33 1HD1 LEU 33 -10.254 3.604 0.794 635 HD12 LEU 33 2HD1 LEU 33 -11.214 4.533 -0.358 636 HD13 LEU 33 3HD1 LEU 33 -9.790 5.257 0.390 637 HD21 LEU 33 3HD2 LEU 33 -9.171 2.071 -2.351 638 HD22 LEU 33 1HD2 LEU 33 -10.833 2.562 -2.020 639 HD23 LEU 33 2HD2 LEU 33 -9.877 1.785 -0.759 640 H GLN 34 H GLN 34 -6.789 6.413 -4.089 641 HA GLN 34 HA GLN 34 -8.700 7.622 -5.922 642 HB2 GLN 34 2HB GLN 34 -5.932 8.633 -5.276 643 HB3 GLN 34 1HB GLN 34 -7.273 9.534 -5.969 644 HG2 GLN 34 2HG GLN 34 -7.065 8.477 -3.158 645 HG3 GLN 34 1HG GLN 34 -6.975 10.161 -3.669 646 HE21 GLN 34 1HE2 GLN 34 -8.794 8.745 -1.819 647 HE22 GLN 34 2HE2 GLN 34 -10.397 9.083 -2.390 648 H THR 35 H THR 35 -5.856 5.668 -5.976 649 HA THR 35 HA THR 35 -5.483 6.180 -8.834 650 HB THR 35 HB THR 35 -3.417 4.666 -8.429 651 HG1 THR 35 1HG THR 35 -3.653 5.628 -5.779 652 HG21 THR 35 3HG2 THR 35 -3.556 7.400 -7.155 653 HG22 THR 35 1HG2 THR 35 -3.393 7.102 -8.887 654 HG23 THR 35 2HG2 THR 35 -2.115 6.601 -7.781 655 H LYS 36 H LYS 36 -6.115 3.530 -6.555 656 HA LYS 36 HA LYS 36 -6.524 1.724 -8.836 657 HB2 LYS 36 2HB LYS 36 -6.189 1.160 -5.884 658 HB3 LYS 36 1HB LYS 36 -6.580 -0.070 -7.078 659 HG2 LYS 36 2HG LYS 36 -4.385 -0.367 -7.285 660 HG3 LYS 36 1HG LYS 36 -4.358 1.177 -8.143 661 HD2 LYS 36 2HD LYS 36 -4.165 2.229 -5.804 662 HD3 LYS 36 1HD LYS 36 -3.736 0.604 -5.267 663 HE2 LYS 36 2HE LYS 36 -1.694 1.699 -5.691 664 HE3 LYS 36 1HE LYS 36 -1.959 0.625 -7.064 665 HZ1 LYS 36 3HZ LYS 36 -2.597 2.425 -8.415 666 HZ2 LYS 36 1HZ LYS 36 -1.204 2.948 -7.609 667 HZ3 LYS 36 2HZ LYS 36 -2.727 3.485 -7.105 668 H ASN 37 H ASN 37 -8.357 3.875 -7.754 669 HA ASN 37 HA ASN 37 -10.583 4.243 -7.653 670 HB2 ASN 37 2HB ASN 37 -10.452 2.271 -9.436 671 HB3 ASN 37 1HB ASN 37 -11.292 1.390 -8.163 672 HD21 ASN 37 1HD2 ASN 37 -11.496 3.908 -10.519 673 HD22 ASN 37 2HD2 ASN 37 -13.189 4.220 -10.342 674 H TYR 38 H TYR 38 -12.698 3.185 -6.604 675 HA TYR 38 HA TYR 38 -11.938 2.674 -3.824 676 HB2 TYR 38 2HB TYR 38 -14.439 3.681 -5.162 677 HB3 TYR 38 1HB TYR 38 -14.468 3.117 -3.497 678 HD1 TYR 38 2HD TYR 38 -13.038 5.661 -5.770 679 HD2 TYR 38 1HD TYR 38 -13.653 4.478 -1.731 680 HE1 TYR 38 2HE TYR 38 -12.318 7.887 -5.011 681 HE2 TYR 38 1HE TYR 38 -12.941 6.701 -0.963 682 HH TYR 38 HH TYR 38 -12.693 9.351 -2.985 683 H ASP 39 H ASP 39 -11.826 0.551 -5.844 684 HA ASP 39 HA ASP 39 -14.108 -1.137 -5.243 685 HB2 ASP 39 2HB ASP 39 -13.038 -1.073 -7.526 686 HB3 ASP 39 1HB ASP 39 -11.649 -1.897 -6.820 687 H ILE 40 H ILE 40 -14.161 -2.132 -3.394 688 HA ILE 40 HA ILE 40 -12.010 -2.552 -1.654 689 HB ILE 40 HB ILE 40 -14.570 -4.152 -1.691 690 HG12 ILE 40 2HG1 ILE 40 -14.123 -1.563 -0.209 691 HG13 ILE 40 1HG1 ILE 40 -14.863 -1.617 -1.804 692 HG21 ILE 40 1HG2 ILE 40 -12.833 -4.971 -0.175 693 HG22 ILE 40 2HG2 ILE 40 -14.220 -4.334 0.706 694 HG23 ILE 40 3HG2 ILE 40 -12.744 -3.378 0.583 695 HD11 ILE 40 3HD1 ILE 40 -15.917 -3.024 0.638 696 HD12 ILE 40 1HD1 ILE 40 -16.678 -2.966 -0.952 697 HD13 ILE 40 2HD1 ILE 40 -16.515 -1.490 0.002 698 H GLY 41 H GLY 41 -13.574 -4.738 -3.966 699 HA2 GLY 41 2HA GLY 41 -12.297 -7.119 -3.273 700 HA3 GLY 41 1HA GLY 41 -12.892 -6.732 -4.882 701 H ALA 42 H ALA 42 -11.354 -4.849 -5.855 702 HA ALA 42 HA ALA 42 -8.964 -6.153 -6.538 703 HB1 ALA 42 1HB ALA 42 -8.387 -4.148 -7.742 704 HB2 ALA 42 2HB ALA 42 -9.573 -3.216 -6.826 705 HB3 ALA 42 3HB ALA 42 -10.108 -4.473 -7.943 706 H ALA 43 H ALA 43 -9.560 -3.471 -4.280 707 HA ALA 43 HA ALA 43 -6.904 -2.876 -3.642 708 HB1 ALA 43 1HB ALA 43 -9.325 -2.640 -1.861 709 HB2 ALA 43 2HB ALA 43 -8.803 -1.450 -3.051 710 HB3 ALA 43 3HB ALA 43 -7.790 -1.794 -1.651 711 H LEU 44 H LEU 44 -9.135 -5.171 -2.090 712 HA LEU 44 HA LEU 44 -7.396 -5.933 -0.003 713 HB2 LEU 44 2HB LEU 44 -9.881 -6.331 -0.144 714 HB3 LEU 44 1HB LEU 44 -9.547 -7.627 -1.273 715 HG LEU 44 HG LEU 44 -8.233 -8.780 0.487 716 HD11 LEU 44 1HD1 LEU 44 -9.251 -6.530 2.209 717 HD12 LEU 44 2HD1 LEU 44 -7.570 -6.916 1.841 718 HD13 LEU 44 3HD1 LEU 44 -8.531 -8.017 2.824 719 HD21 LEU 44 3HD2 LEU 44 -10.522 -9.430 0.123 720 HD22 LEU 44 1HD2 LEU 44 -11.097 -8.114 1.147 721 HD23 LEU 44 2HD2 LEU 44 -10.183 -9.447 1.854 722 H ASP 45 H ASP 45 -7.858 -7.143 -3.276 723 HA ASP 45 HA ASP 45 -6.165 -9.424 -2.970 724 HB2 ASP 45 2HB ASP 45 -8.009 -9.072 -4.708 725 HB3 ASP 45 1HB ASP 45 -6.849 -8.077 -5.578 726 H THR 46 H THR 46 -5.625 -6.091 -3.650 727 HA THR 46 HA THR 46 -3.225 -6.220 -5.080 728 HB THR 46 HB THR 46 -4.089 -4.076 -3.130 729 HG1 THR 46 1HG THR 46 -5.491 -4.721 -5.060 730 HG21 THR 46 3HG2 THR 46 -2.652 -2.592 -4.407 731 HG22 THR 46 1HG2 THR 46 -2.202 -3.910 -5.484 732 HG23 THR 46 2HG2 THR 46 -1.709 -3.952 -3.790 733 H ILE 47 H ILE 47 -3.843 -6.495 -1.622 734 HA ILE 47 HA ILE 47 -0.945 -6.593 -1.154 735 HB ILE 47 HB ILE 47 -1.561 -6.437 1.284 736 HG12 ILE 47 2HG1 ILE 47 -4.263 -5.627 0.174 737 HG13 ILE 47 1HG1 ILE 47 -3.938 -7.157 0.986 738 HG21 ILE 47 1HG2 ILE 47 -2.412 -4.133 -0.462 739 HG22 ILE 47 2HG2 ILE 47 -0.744 -4.549 -0.071 740 HG23 ILE 47 3HG2 ILE 47 -1.849 -4.039 1.206 741 HD11 ILE 47 3HD1 ILE 47 -4.989 -5.562 2.484 742 HD12 ILE 47 1HD1 ILE 47 -3.672 -4.421 2.210 743 HD13 ILE 47 2HD1 ILE 47 -3.356 -5.953 3.024 744 H GLN 48 H GLN 48 -3.319 -8.704 -1.827 745 HA GLN 48 HA GLN 48 -3.583 -10.954 -1.618 746 HB2 GLN 48 2HB GLN 48 -0.822 -10.504 -1.575 747 HB3 GLN 48 1HB GLN 48 -1.123 -11.642 -0.273 748 HG2 GLN 48 2HG GLN 48 -2.215 -12.076 -3.022 749 HG3 GLN 48 1HG GLN 48 -0.585 -12.565 -2.592 750 HE21 GLN 48 1HE2 GLN 48 -3.969 -13.158 -2.151 751 HE22 GLN 48 2HE2 GLN 48 -3.804 -14.687 -1.361 752 H TYR 49 H TYR 49 -4.069 -9.088 0.762 753 HA TYR 49 HA TYR 49 -3.865 -11.015 2.955 754 HB2 TYR 49 2HB TYR 49 -4.368 -8.070 2.800 755 HB3 TYR 49 1HB TYR 49 -4.980 -8.957 4.189 756 HD1 TYR 49 2HD TYR 49 -1.780 -9.325 2.292 757 HD2 TYR 49 1HD TYR 49 -3.645 -8.367 5.995 758 HE1 TYR 49 2HE TYR 49 0.433 -9.147 3.355 759 HE2 TYR 49 1HE TYR 49 -1.437 -8.184 7.063 760 HH TYR 49 HH TYR 49 1.431 -7.988 5.310 761 H SER 50 H SER 50 -5.660 -11.238 0.618 762 HA SER 50 HA SER 50 -8.328 -10.710 1.349 763 HB2 SER 50 2HB SER 50 -8.171 -12.959 -0.404 764 HB3 SER 50 1HB SER 50 -8.571 -11.287 -0.803 765 HG SER 50 HG SER 50 -6.691 -12.135 -1.923 766 H LYS 51 H LYS 51 -6.149 -13.300 2.113 767 HA LYS 51 HA LYS 51 -8.232 -15.097 2.974 768 HB2 LYS 51 2HB LYS 51 -5.230 -15.246 3.281 769 HB3 LYS 51 1HB LYS 51 -6.350 -16.521 3.745 770 HG2 LYS 51 2HG LYS 51 -6.597 -15.545 0.981 771 HG3 LYS 51 1HG LYS 51 -5.103 -16.403 1.363 772 HD2 LYS 51 2HD LYS 51 -6.827 -17.925 0.502 773 HD3 LYS 51 1HD LYS 51 -6.396 -18.312 2.164 774 HE2 LYS 51 2HE LYS 51 -8.396 -17.314 2.999 775 HE3 LYS 51 1HE LYS 51 -8.764 -16.618 1.427 776 HZ1 LYS 51 3HZ LYS 51 -8.724 -19.519 2.040 777 HZ2 LYS 51 1HZ LYS 51 -9.114 -18.827 0.550 778 HZ3 LYS 51 2HZ LYS 51 -10.114 -18.570 1.887 779 H HIS 52 H HIS 52 -5.684 -13.196 4.568 780 HA HIS 52 HA HIS 52 -7.333 -12.634 6.802 781 HB2 HIS 52 2HB HIS 52 -6.608 -15.054 7.215 782 HB3 HIS 52 1HB HIS 52 -4.987 -14.407 7.456 783 HD1 HIS 52 1HD HIS 52 -4.456 -13.497 9.716 784 HD2 HIS 52 2HD HIS 52 -8.535 -14.039 9.149 785 HE1 HIS 52 1HE HIS 52 -5.511 -13.031 11.946 786 HE2 HIS 52 2HE HIS 52 -7.969 -13.494 11.615 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 18.775 20.176 -1.772 2 H2 GLY 1 2HT GLY 1 17.421 19.177 -1.907 3 H3 GLY 1 3HT GLY 1 17.734 20.339 -3.093 4 HA2 GLY 1 1HA GLY 1 18.336 18.156 -3.894 5 HA3 GLY 1 2HA GLY 1 19.750 19.189 -3.740 6 H SER 2 H SER 2 20.518 16.771 -3.830 7 HA SER 2 HA SER 2 20.456 15.470 -1.239 8 HB2 SER 2 2HB SER 2 22.303 14.306 -3.140 9 HB3 SER 2 1HB SER 2 20.836 13.609 -2.449 10 HG SER 2 HG SER 2 20.426 13.752 -4.593 11 HA PRO 3 HA PRO 3 24.329 17.617 -0.346 12 HB2 PRO 3 2HB PRO 3 24.082 17.642 2.316 13 HB3 PRO 3 1HB PRO 3 23.079 18.684 1.299 14 HG2 PRO 3 2HG PRO 3 22.376 16.150 2.697 15 HG3 PRO 3 1HG PRO 3 21.382 17.585 2.405 16 HD2 PRO 3 2HD PRO 3 21.347 15.206 0.911 17 HD3 PRO 3 1HD PRO 3 20.613 16.751 0.445 18 HA PRO 4 HA PRO 4 27.122 14.249 0.456 19 HB2 PRO 4 2HB PRO 4 28.688 16.090 2.165 20 HB3 PRO 4 1HB PRO 4 29.177 15.215 0.709 21 HG2 PRO 4 2HG PRO 4 28.764 17.857 0.664 22 HG3 PRO 4 1HG PRO 4 28.320 16.828 -0.708 23 HD2 PRO 4 2HD PRO 4 26.577 18.026 1.404 24 HD3 PRO 4 1HD PRO 4 26.274 17.834 -0.335 25 H GLU 5 H GLU 5 25.597 15.981 2.990 26 HA GLU 5 HA GLU 5 26.596 14.442 5.173 27 HB2 GLU 5 2HB GLU 5 24.148 16.192 4.941 28 HB3 GLU 5 1HB GLU 5 24.749 15.506 6.445 29 HG2 GLU 5 2HG GLU 5 26.007 17.603 4.713 30 HG3 GLU 5 1HG GLU 5 25.523 17.711 6.405 31 H ALA 6 H ALA 6 24.246 13.909 2.767 32 HA ALA 6 HA ALA 6 22.618 12.094 4.300 33 HB1 ALA 6 1HB ALA 6 22.690 12.616 1.330 34 HB2 ALA 6 2HB ALA 6 21.616 13.385 2.495 35 HB3 ALA 6 3HB ALA 6 21.476 11.657 2.179 36 H ASP 7 H ASP 7 22.602 9.882 4.178 37 HA ASP 7 HA ASP 7 25.109 8.630 3.606 38 HB2 ASP 7 2HB ASP 7 23.426 8.007 5.450 39 HB3 ASP 7 1HB ASP 7 22.535 7.173 4.184 40 HA PRO 8 HA PRO 8 24.235 7.888 -0.712 41 HB2 PRO 8 2HB PRO 8 26.339 6.176 -1.127 42 HB3 PRO 8 1HB PRO 8 26.473 7.937 -1.140 43 HG2 PRO 8 2HG PRO 8 27.112 6.006 1.050 44 HG3 PRO 8 1HG PRO 8 27.996 7.454 0.538 45 HD2 PRO 8 2HD PRO 8 26.415 7.445 2.715 46 HD3 PRO 8 1HD PRO 8 26.576 8.879 1.678 47 H ARG 9 H ARG 9 24.461 5.467 1.771 48 HA ARG 9 HA ARG 9 23.485 3.362 0.002 49 HB2 ARG 9 2HB ARG 9 23.969 3.275 2.988 50 HB3 ARG 9 1HB ARG 9 23.701 1.898 1.927 51 HG2 ARG 9 2HG ARG 9 25.801 2.056 0.970 52 HG3 ARG 9 1HG ARG 9 26.004 3.743 1.447 53 HD2 ARG 9 2HD ARG 9 25.944 1.387 3.332 54 HD3 ARG 9 1HD ARG 9 27.402 2.212 2.779 55 HE ARG 9 HE ARG 9 25.574 4.062 3.952 56 HH11 ARG 9 1HH1 ARG 9 27.846 1.530 4.783 57 HH12 ARG 9 2HH1 ARG 9 28.230 2.196 6.335 58 HH21 ARG 9 1HH2 ARG 9 26.068 4.953 6.005 59 HH22 ARG 9 2HH2 ARG 9 27.228 4.146 7.025 60 H LEU 10 H LEU 10 22.352 5.530 2.490 61 HA LEU 10 HA LEU 10 19.876 4.244 2.996 62 HB2 LEU 10 2HB LEU 10 20.879 5.891 4.523 63 HB3 LEU 10 1HB LEU 10 20.624 7.148 3.327 64 HG LEU 10 HG LEU 10 18.153 6.688 3.506 65 HD11 LEU 10 1HD1 LEU 10 17.364 5.510 5.497 66 HD12 LEU 10 2HD1 LEU 10 19.028 5.085 5.906 67 HD13 LEU 10 3HD1 LEU 10 18.288 4.441 4.441 68 HD21 LEU 10 3HD2 LEU 10 19.698 7.656 5.904 69 HD22 LEU 10 1HD2 LEU 10 17.952 7.835 5.727 70 HD23 LEU 10 2HD2 LEU 10 19.037 8.617 4.579 71 H ILE 11 H ILE 11 20.885 6.752 0.725 72 HA ILE 11 HA ILE 11 18.255 7.265 -0.241 73 HB ILE 11 HB ILE 11 20.137 8.882 -0.449 74 HG12 ILE 11 2HG1 ILE 11 19.004 8.146 -3.155 75 HG13 ILE 11 1HG1 ILE 11 18.074 8.964 -1.903 76 HG21 ILE 11 1HG2 ILE 11 21.757 8.595 -2.275 77 HG22 ILE 11 2HG2 ILE 11 21.129 6.972 -2.560 78 HG23 ILE 11 3HG2 ILE 11 21.919 7.357 -1.029 79 HD11 ILE 11 3HD1 ILE 11 19.512 10.868 -1.995 80 HD12 ILE 11 1HD1 ILE 11 19.001 10.469 -3.633 81 HD13 ILE 11 2HD1 ILE 11 20.620 10.036 -3.087 82 H GLU 12 H GLU 12 20.582 4.812 -0.822 83 HA GLU 12 HA GLU 12 19.739 4.075 -3.440 84 HB2 GLU 12 2HB GLU 12 21.549 2.979 -1.375 85 HB3 GLU 12 1HB GLU 12 20.885 1.820 -2.519 86 HG2 GLU 12 2HG GLU 12 22.478 4.287 -3.172 87 HG3 GLU 12 1HG GLU 12 23.013 2.612 -3.299 88 H SER 13 H SER 13 18.363 3.662 -0.368 89 HA SER 13 HA SER 13 17.111 1.151 -0.704 90 HB2 SER 13 2HB SER 13 15.908 3.404 0.887 91 HB3 SER 13 1HB SER 13 15.879 1.670 1.224 92 HG SER 13 HG SER 13 17.821 3.564 1.780 93 H LEU 14 H LEU 14 16.263 4.411 -1.698 94 HA LEU 14 HA LEU 14 13.577 3.774 -2.463 95 HB2 LEU 14 2HB LEU 14 15.338 6.098 -3.262 96 HB3 LEU 14 1HB LEU 14 13.620 5.974 -3.585 97 HG LEU 14 HG LEU 14 13.925 5.604 -0.804 98 HD11 LEU 14 1HD1 LEU 14 15.091 7.592 -0.093 99 HD12 LEU 14 2HD1 LEU 14 15.426 8.035 -1.767 100 HD13 LEU 14 3HD1 LEU 14 16.173 6.597 -1.069 101 HD21 LEU 14 3HD2 LEU 14 12.954 7.934 -2.449 102 HD22 LEU 14 1HD2 LEU 14 12.691 7.752 -0.714 103 HD23 LEU 14 2HD2 LEU 14 11.991 6.589 -1.841 104 H SER 15 H SER 15 16.665 4.152 -4.170 105 HA SER 15 HA SER 15 15.632 3.660 -6.755 106 HB2 SER 15 2HB SER 15 18.297 2.834 -6.776 107 HB3 SER 15 1HB SER 15 17.701 4.451 -7.150 108 HG SER 15 HG SER 15 19.369 4.094 -5.375 109 H GLN 16 H GLN 16 16.680 1.606 -4.142 110 HA GLN 16 HA GLN 16 17.075 -0.802 -5.494 111 HB2 GLN 16 2HB GLN 16 17.688 -0.511 -3.154 112 HB3 GLN 16 1HB GLN 16 15.997 -0.304 -2.713 113 HG2 GLN 16 2HG GLN 16 16.798 -2.519 -2.139 114 HG3 GLN 16 1HG GLN 16 15.527 -2.597 -3.358 115 HE21 GLN 16 1HE2 GLN 16 16.038 -3.257 -5.445 116 HE22 GLN 16 2HE2 GLN 16 17.543 -4.018 -5.829 117 H MET 17 H MET 17 14.118 0.532 -4.034 118 HA MET 17 HA MET 17 12.447 -1.633 -4.744 119 HB2 MET 17 2HB MET 17 11.707 1.264 -4.273 120 HB3 MET 17 1HB MET 17 10.580 -0.088 -4.304 121 HG2 MET 17 2HG MET 17 12.806 0.339 -2.315 122 HG3 MET 17 1HG MET 17 11.082 0.573 -2.024 123 HE1 MET 17 3HE MET 17 9.359 -1.328 -1.642 124 HE2 MET 17 1HE MET 17 9.659 -3.023 -2.023 125 HE3 MET 17 2HE MET 17 9.626 -1.822 -3.314 126 H LEU 18 H LEU 18 13.209 1.423 -6.313 127 HA LEU 18 HA LEU 18 11.469 1.238 -8.495 128 HB2 LEU 18 2HB LEU 18 12.624 3.289 -7.895 129 HB3 LEU 18 1HB LEU 18 14.177 2.558 -8.256 130 HG LEU 18 HG LEU 18 12.992 2.274 -10.655 131 HD11 LEU 18 1HD1 LEU 18 11.826 4.805 -9.502 132 HD12 LEU 18 2HD1 LEU 18 10.923 3.356 -9.939 133 HD13 LEU 18 3HD1 LEU 18 11.740 4.294 -11.189 134 HD21 LEU 18 3HD2 LEU 18 15.150 3.273 -10.309 135 HD22 LEU 18 1HD2 LEU 18 14.415 4.711 -9.602 136 HD23 LEU 18 2HD2 LEU 18 14.170 4.346 -11.310 137 H SER 19 H SER 19 14.764 0.014 -8.038 138 HA SER 19 HA SER 19 15.022 -0.957 -10.716 139 HB2 SER 19 2HB SER 19 16.616 -1.753 -8.264 140 HB3 SER 19 1HB SER 19 17.092 -1.976 -9.949 141 HG SER 19 HG SER 19 16.764 0.474 -8.543 142 H MET 20 H MET 20 13.741 -2.217 -7.749 143 HA MET 20 HA MET 20 13.763 -4.979 -8.518 144 HB2 MET 20 2HB MET 20 13.738 -4.161 -6.149 145 HB3 MET 20 1HB MET 20 12.084 -3.624 -6.392 146 HG2 MET 20 2HG MET 20 11.430 -5.940 -6.884 147 HG3 MET 20 1HG MET 20 13.080 -6.459 -6.546 148 HE1 MET 20 3HE MET 20 13.801 -4.524 -4.008 149 HE2 MET 20 1HE MET 20 14.242 -6.223 -4.187 150 HE3 MET 20 2HE MET 20 13.424 -5.672 -2.724 151 H GLY 21 H GLY 21 11.881 -2.290 -9.325 152 HA2 GLY 21 2HA GLY 21 10.288 -2.302 -11.067 153 HA3 GLY 21 1HA GLY 21 10.000 -4.011 -10.757 154 H PHE 22 H PHE 22 10.044 -1.385 -8.397 155 HA PHE 22 HA PHE 22 7.134 -1.605 -8.164 156 HB2 PHE 22 2HB PHE 22 8.531 -2.995 -6.400 157 HB3 PHE 22 1HB PHE 22 8.763 -1.416 -5.657 158 HD1 PHE 22 1HD PHE 22 5.950 -3.380 -7.141 159 HD2 PHE 22 2HD PHE 22 7.315 -0.877 -3.978 160 HE1 PHE 22 1HE PHE 22 3.757 -3.579 -6.041 161 HE2 PHE 22 2HE PHE 22 5.128 -1.076 -2.876 162 HZ PHE 22 HZ PHE 22 3.341 -2.424 -3.904 163 H SER 23 H SER 23 6.263 0.302 -8.215 164 HA SER 23 HA SER 23 7.562 2.597 -7.008 165 HB2 SER 23 2HB SER 23 6.615 2.759 -9.884 166 HB3 SER 23 1HB SER 23 7.553 3.948 -8.980 167 HG SER 23 HG SER 23 8.385 1.467 -10.039 168 H ASP 24 H ASP 24 5.974 4.546 -7.229 169 HA ASP 24 HA ASP 24 3.253 3.469 -6.966 170 HB2 ASP 24 2HB ASP 24 2.807 5.395 -5.421 171 HB3 ASP 24 1HB ASP 24 3.925 4.197 -4.793 172 H GLU 25 H GLU 25 1.524 4.952 -7.474 173 HA GLU 25 HA GLU 25 2.248 6.689 -9.742 174 HB2 GLU 25 2HB GLU 25 -0.545 6.136 -9.732 175 HB3 GLU 25 1HB GLU 25 0.659 5.611 -10.896 176 HG2 GLU 25 2HG GLU 25 -0.393 3.650 -10.193 177 HG3 GLU 25 1HG GLU 25 1.138 3.681 -9.320 178 H GLY 26 H GLY 26 0.028 6.323 -7.007 179 HA2 GLY 26 2HA GLY 26 -0.707 9.145 -7.145 180 HA3 GLY 26 1HA GLY 26 -1.367 7.941 -6.048 181 H GLY 27 H GLY 27 1.905 7.596 -6.004 182 HA2 GLY 27 2HA GLY 27 3.604 8.350 -4.648 183 HA3 GLY 27 1HA GLY 27 2.626 9.761 -4.274 184 H TRP 28 H TRP 28 1.889 6.326 -3.768 185 HA TRP 28 HA TRP 28 1.377 6.960 -0.967 186 HB2 TRP 28 2HB TRP 28 0.168 4.833 -0.876 187 HB3 TRP 28 1HB TRP 28 -0.421 5.839 -2.184 188 HD1 TRP 28 HD TRP 28 -0.104 4.958 -4.653 189 HE1 TRP 28 1HE TRP 28 0.471 2.647 -5.614 190 HE3 TRP 28 3HE TRP 28 1.629 2.730 -0.397 191 HZ2 TRP 28 2HZ TRP 28 1.512 0.182 -4.679 192 HZ3 TRP 28 3HZ TRP 28 2.389 0.395 -0.511 193 HH2 TRP 28 HH TRP 28 2.335 -0.850 -2.607 194 H LEU 29 H LEU 29 3.562 5.148 -2.975 195 HA LEU 29 HA LEU 29 4.601 3.493 -0.886 196 HB2 LEU 29 2HB LEU 29 4.763 2.903 -3.287 197 HB3 LEU 29 1HB LEU 29 5.849 4.255 -3.534 198 HG LEU 29 HG LEU 29 7.443 3.175 -1.928 199 HD11 LEU 29 1HD1 LEU 29 5.964 1.760 -0.692 200 HD12 LEU 29 2HD1 LEU 29 7.119 0.737 -1.550 201 HD13 LEU 29 3HD1 LEU 29 5.471 0.913 -2.159 202 HD21 LEU 29 3HD2 LEU 29 6.696 1.576 -4.375 203 HD22 LEU 29 1HD2 LEU 29 8.245 1.520 -3.533 204 HD23 LEU 29 2HD2 LEU 29 7.736 3.000 -4.344 205 H THR 30 H THR 30 5.440 6.596 -2.309 206 HA THR 30 HA THR 30 7.902 6.968 -1.011 207 HB THR 30 HB THR 30 6.978 8.351 -2.916 208 HG1 THR 30 1HG THR 30 8.183 9.467 -0.618 209 HG21 THR 30 3HG2 THR 30 5.506 9.749 -0.682 210 HG22 THR 30 1HG2 THR 30 4.770 8.833 -2.001 211 HG23 THR 30 2HG2 THR 30 5.642 10.326 -2.342 212 H ARG 31 H ARG 31 4.657 7.148 0.148 213 HA ARG 31 HA ARG 31 5.388 8.605 2.563 214 HB2 ARG 31 2HB ARG 31 2.762 7.444 1.605 215 HB3 ARG 31 1HB ARG 31 2.963 8.284 3.136 216 HG2 ARG 31 2HG ARG 31 3.674 9.586 0.531 217 HG3 ARG 31 1HG ARG 31 2.028 9.603 1.162 218 HD2 ARG 31 2HD ARG 31 4.405 10.548 2.749 219 HD3 ARG 31 1HD ARG 31 3.458 11.615 1.714 220 HE ARG 31 HE ARG 31 1.740 10.240 3.482 221 HH11 ARG 31 1HH1 ARG 31 4.153 12.775 3.481 222 HH12 ARG 31 2HH1 ARG 31 3.467 13.602 4.840 223 HH21 ARG 31 1HH2 ARG 31 0.840 11.308 5.279 224 HH22 ARG 31 2HH2 ARG 31 1.594 12.749 5.889 225 H LEU 32 H LEU 32 4.718 5.390 1.441 226 HA LEU 32 HA LEU 32 4.300 4.095 3.895 227 HB2 LEU 32 2HB LEU 32 3.894 3.191 1.567 228 HB3 LEU 32 1HB LEU 32 5.621 2.906 1.462 229 HG LEU 32 HG LEU 32 5.119 1.596 3.749 230 HD11 LEU 32 1HD1 LEU 32 2.589 1.318 2.137 231 HD12 LEU 32 2HD1 LEU 32 2.733 2.116 3.706 232 HD13 LEU 32 3HD1 LEU 32 3.023 0.381 3.566 233 HD21 LEU 32 3HD2 LEU 32 5.040 -0.459 2.405 234 HD22 LEU 32 1HD2 LEU 32 6.255 0.672 1.809 235 HD23 LEU 32 2HD2 LEU 32 4.717 0.507 0.963 236 H LEU 33 H LEU 33 7.245 4.717 2.039 237 HA LEU 33 HA LEU 33 9.014 3.301 3.736 238 HB2 LEU 33 2HB LEU 33 9.520 5.585 1.834 239 HB3 LEU 33 1HB LEU 33 10.780 4.632 2.597 240 HG LEU 33 HG LEU 33 8.683 3.472 0.764 241 HD11 LEU 33 1HD1 LEU 33 10.428 3.464 -0.949 242 HD12 LEU 33 2HD1 LEU 33 11.504 4.336 0.145 243 HD13 LEU 33 3HD1 LEU 33 10.026 5.104 -0.436 244 HD21 LEU 33 3HD2 LEU 33 9.717 1.883 2.320 245 HD22 LEU 33 1HD2 LEU 33 11.315 2.378 1.763 246 HD23 LEU 33 2HD2 LEU 33 10.204 1.571 0.654 247 H GLN 34 H GLN 34 7.290 6.082 4.348 248 HA GLN 34 HA GLN 34 9.359 7.306 5.998 249 HB2 GLN 34 2HB GLN 34 6.533 8.199 5.401 250 HB3 GLN 34 1HB GLN 34 7.707 9.108 6.343 251 HG2 GLN 34 2HG GLN 34 7.875 8.409 3.421 252 HG3 GLN 34 1HG GLN 34 7.620 10.004 4.126 253 HE21 GLN 34 1HE2 GLN 34 9.719 8.872 2.351 254 HE22 GLN 34 2HE2 GLN 34 11.221 9.227 3.137 255 H THR 35 H THR 35 6.188 5.730 6.350 256 HA THR 35 HA THR 35 6.497 5.898 9.255 257 HB THR 35 HB THR 35 4.151 4.873 9.242 258 HG1 THR 35 1HG THR 35 3.007 5.113 7.304 259 HG21 THR 35 3HG2 THR 35 4.585 7.608 8.039 260 HG22 THR 35 1HG2 THR 35 4.600 7.218 9.759 261 HG23 THR 35 2HG2 THR 35 3.110 7.053 8.830 262 H LYS 36 H LYS 36 7.302 3.795 6.833 263 HA LYS 36 HA LYS 36 7.250 1.526 8.713 264 HB2 LYS 36 2HB LYS 36 6.759 1.566 5.745 265 HB3 LYS 36 1HB LYS 36 7.332 0.108 6.543 266 HG2 LYS 36 2HG LYS 36 5.051 -0.216 6.530 267 HG3 LYS 36 1HG LYS 36 5.309 0.489 8.129 268 HD2 LYS 36 2HD LYS 36 4.892 2.747 6.851 269 HD3 LYS 36 1HD LYS 36 4.073 1.694 5.693 270 HE2 LYS 36 2HE LYS 36 2.450 2.503 7.256 271 HE3 LYS 36 1HE LYS 36 2.715 0.790 7.566 272 HZ1 LYS 36 3HZ LYS 36 2.952 2.919 9.357 273 HZ2 LYS 36 1HZ LYS 36 4.509 2.282 9.132 274 HZ3 LYS 36 2HZ LYS 36 3.250 1.275 9.643 275 H ASN 37 H ASN 37 9.153 3.762 7.565 276 HA ASN 37 HA ASN 37 11.386 4.078 7.449 277 HB2 ASN 37 2HB ASN 37 11.279 2.194 9.297 278 HB3 ASN 37 1HB ASN 37 11.997 1.206 8.031 279 HD21 ASN 37 1HD2 ASN 37 13.288 1.719 10.407 280 HD22 ASN 37 2HD2 ASN 37 14.676 2.703 10.096 281 H TYR 38 H TYR 38 13.392 3.300 6.245 282 HA TYR 38 HA TYR 38 12.569 2.570 3.562 283 HB2 TYR 38 2HB TYR 38 15.268 3.387 4.671 284 HB3 TYR 38 1HB TYR 38 14.923 3.124 2.966 285 HD1 TYR 38 2HD TYR 38 14.354 5.347 5.846 286 HD2 TYR 38 1HD TYR 38 13.746 4.778 1.673 287 HE1 TYR 38 2HE TYR 38 13.711 7.709 5.625 288 HE2 TYR 38 1HE TYR 38 13.104 7.140 1.442 289 HH TYR 38 HH TYR 38 13.565 9.423 3.988 290 H ASP 39 H ASP 39 12.247 0.466 5.344 291 HA ASP 39 HA ASP 39 14.561 -1.274 4.983 292 HB2 ASP 39 2HB ASP 39 13.324 -1.112 7.189 293 HB3 ASP 39 1HB ASP 39 11.994 -1.965 6.409 294 H ILE 40 H ILE 40 14.701 -2.330 3.177 295 HA ILE 40 HA ILE 40 12.654 -2.702 1.299 296 HB ILE 40 HB ILE 40 15.174 -4.349 1.549 297 HG12 ILE 40 2HG1 ILE 40 15.016 -1.945 -0.208 298 HG13 ILE 40 1HG1 ILE 40 15.248 -1.684 1.518 299 HG21 ILE 40 1HG2 ILE 40 13.562 -5.215 -0.060 300 HG22 ILE 40 2HG2 ILE 40 14.979 -4.559 -0.882 301 HG23 ILE 40 3HG2 ILE 40 13.477 -3.636 -0.841 302 HD11 ILE 40 3HD1 ILE 40 17.003 -3.456 -0.160 303 HD12 ILE 40 1HD1 ILE 40 17.280 -2.923 1.497 304 HD13 ILE 40 2HD1 ILE 40 17.341 -1.759 0.175 305 H GLY 41 H GLY 41 14.115 -5.008 3.586 306 HA2 GLY 41 2HA GLY 41 12.682 -7.284 2.866 307 HA3 GLY 41 1HA GLY 41 13.351 -6.983 4.459 308 H ALA 42 H ALA 42 11.881 -4.874 5.348 309 HA ALA 42 HA ALA 42 9.522 -6.102 6.250 310 HB1 ALA 42 1HB ALA 42 8.995 -3.996 7.291 311 HB2 ALA 42 2HB ALA 42 10.122 -3.146 6.235 312 HB3 ALA 42 3HB ALA 42 10.731 -4.285 7.434 313 H ALA 43 H ALA 43 10.018 -3.609 3.768 314 HA ALA 43 HA ALA 43 7.350 -3.070 3.174 315 HB1 ALA 43 1HB ALA 43 9.681 -3.038 1.259 316 HB2 ALA 43 2HB ALA 43 9.246 -1.737 2.368 317 HB3 ALA 43 3HB ALA 43 8.149 -2.186 1.063 318 H LEU 44 H LEU 44 9.499 -5.537 1.795 319 HA LEU 44 HA LEU 44 7.714 -6.492 -0.158 320 HB2 LEU 44 2HB LEU 44 10.207 -7.415 1.098 321 HB3 LEU 44 1HB LEU 44 9.192 -8.695 0.466 322 HG LEU 44 HG LEU 44 9.192 -7.519 -1.743 323 HD11 LEU 44 1HD1 LEU 44 10.889 -5.811 -2.146 324 HD12 LEU 44 2HD1 LEU 44 11.312 -5.820 -0.435 325 HD13 LEU 44 3HD1 LEU 44 9.715 -5.269 -0.945 326 HD21 LEU 44 3HD2 LEU 44 11.916 -8.252 -0.675 327 HD22 LEU 44 1HD2 LEU 44 11.420 -8.248 -2.366 328 HD23 LEU 44 2HD2 LEU 44 10.702 -9.399 -1.241 329 H ASP 45 H ASP 45 8.113 -7.302 3.232 330 HA ASP 45 HA ASP 45 6.348 -9.570 3.178 331 HB2 ASP 45 2HB ASP 45 8.135 -9.434 4.824 332 HB3 ASP 45 1HB ASP 45 7.472 -7.938 5.466 333 H THR 46 H THR 46 5.975 -6.166 3.540 334 HA THR 46 HA THR 46 3.523 -6.128 4.945 335 HB THR 46 HB THR 46 4.547 -4.064 2.987 336 HG1 THR 46 1HG THR 46 5.951 -4.769 4.864 337 HG21 THR 46 3HG2 THR 46 3.270 -2.496 4.442 338 HG22 THR 46 1HG2 THR 46 2.604 -3.888 5.297 339 HG23 THR 46 2HG2 THR 46 2.247 -3.647 3.585 340 H ILE 47 H ILE 47 4.303 -6.549 1.545 341 HA ILE 47 HA ILE 47 1.433 -6.463 0.903 342 HB ILE 47 HB ILE 47 2.102 -6.350 -1.458 343 HG12 ILE 47 2HG1 ILE 47 4.946 -6.073 -0.477 344 HG13 ILE 47 1HG1 ILE 47 4.289 -7.583 -1.097 345 HG21 ILE 47 1HG2 ILE 47 1.752 -4.291 -0.192 346 HG22 ILE 47 2HG2 ILE 47 2.999 -4.079 -1.423 347 HG23 ILE 47 3HG2 ILE 47 3.456 -4.282 0.268 348 HD11 ILE 47 3HD1 ILE 47 3.836 -6.489 -3.240 349 HD12 ILE 47 1HD1 ILE 47 5.545 -6.431 -2.805 350 HD13 ILE 47 2HD1 ILE 47 4.536 -4.997 -2.611 351 H GLN 48 H GLN 48 3.532 -8.679 1.902 352 HA GLN 48 HA GLN 48 3.538 -10.947 1.944 353 HB2 GLN 48 2HB GLN 48 1.016 -10.478 0.424 354 HB3 GLN 48 1HB GLN 48 1.697 -12.099 0.440 355 HG2 GLN 48 2HG GLN 48 1.002 -10.481 2.879 356 HG3 GLN 48 1HG GLN 48 0.011 -11.760 2.185 357 HE21 GLN 48 1HE2 GLN 48 2.847 -11.003 4.021 358 HE22 GLN 48 2HE2 GLN 48 3.196 -12.618 4.533 359 H TYR 49 H TYR 49 3.061 -9.638 -1.319 360 HA TYR 49 HA TYR 49 4.351 -11.786 -2.655 361 HB2 TYR 49 2HB TYR 49 4.106 -8.938 -3.638 362 HB3 TYR 49 1HB TYR 49 4.315 -10.384 -4.616 363 HD1 TYR 49 2HD TYR 49 2.383 -12.162 -4.406 364 HD2 TYR 49 1HD TYR 49 1.993 -8.062 -3.348 365 HE1 TYR 49 2HE TYR 49 -0.060 -12.337 -4.645 366 HE2 TYR 49 1HE TYR 49 -0.449 -8.225 -3.584 367 HH TYR 49 HH TYR 49 -2.122 -9.548 -4.600 368 H SER 50 H SER 50 6.315 -12.181 -1.608 369 HA SER 50 HA SER 50 8.353 -10.075 -1.931 370 HB2 SER 50 2HB SER 50 8.654 -12.371 -0.015 371 HB3 SER 50 1HB SER 50 9.407 -10.778 0.035 372 HG SER 50 HG SER 50 7.061 -10.063 0.290 373 H LYS 51 H LYS 51 7.377 -13.173 -2.944 374 HA LYS 51 HA LYS 51 10.106 -13.902 -3.757 375 HB2 LYS 51 2HB LYS 51 7.556 -15.507 -3.566 376 HB3 LYS 51 1HB LYS 51 9.010 -16.118 -4.346 377 HG2 LYS 51 2HG LYS 51 9.538 -15.063 -1.693 378 HG3 LYS 51 1HG LYS 51 8.357 -16.374 -1.683 379 HD2 LYS 51 2HD LYS 51 10.629 -17.229 -1.414 380 HD3 LYS 51 1HD LYS 51 9.915 -17.789 -2.925 381 HE2 LYS 51 2HE LYS 51 11.122 -16.029 -4.134 382 HE3 LYS 51 1HE LYS 51 11.851 -15.500 -2.619 383 HZ1 LYS 51 3HZ LYS 51 12.166 -18.241 -3.685 384 HZ2 LYS 51 1HZ LYS 51 13.043 -17.511 -2.441 385 HZ3 LYS 51 2HZ LYS 51 13.248 -16.996 -4.037 386 H HIS 52 H HIS 52 6.807 -13.716 -5.039 387 HA HIS 52 HA HIS 52 7.789 -12.679 -7.541 388 HB2 HIS 52 2HB HIS 52 8.001 -15.104 -7.917 389 HB3 HIS 52 1HB HIS 52 6.318 -15.328 -7.448 390 HD1 HIS 52 1HD HIS 52 4.602 -15.116 -9.246 391 HD2 HIS 52 2HD HIS 52 8.300 -13.603 -10.397 392 HE1 HIS 52 1HE HIS 52 4.376 -14.547 -11.686 393 HE2 HIS 52 2HE HIS 52 6.590 -13.545 -12.334 394 H1 GLY 1 1HT GLY 1 -18.227 20.287 2.556 395 H2 GLY 1 2HT GLY 1 -16.993 19.147 2.380 396 H3 GLY 1 3HT GLY 1 -17.100 20.063 3.798 397 HA2 GLY 1 1HA GLY 1 -17.960 17.996 4.396 398 HA3 GLY 1 2HA GLY 1 -19.360 19.031 4.142 399 H SER 2 H SER 2 -20.258 16.731 3.959 400 HA SER 2 HA SER 2 -19.871 15.644 1.269 401 HB2 SER 2 2HB SER 2 -21.527 14.387 3.448 402 HB3 SER 2 1HB SER 2 -20.752 13.609 2.066 403 HG SER 2 HG SER 2 -19.772 14.010 4.519 404 HA PRO 3 HA PRO 3 -23.803 17.712 0.435 405 HB2 PRO 3 2HB PRO 3 -23.512 17.873 -2.227 406 HB3 PRO 3 1HB PRO 3 -22.621 18.942 -1.137 407 HG2 PRO 3 2HG PRO 3 -21.685 16.495 -2.575 408 HG3 PRO 3 1HG PRO 3 -20.835 18.025 -2.289 409 HD2 PRO 3 2HD PRO 3 -20.471 15.721 -0.805 410 HD3 PRO 3 1HD PRO 3 -20.092 17.361 -0.240 411 HA PRO 4 HA PRO 4 -26.269 14.189 -0.604 412 HB2 PRO 4 2HB PRO 4 -28.427 15.374 -1.765 413 HB3 PRO 4 1HB PRO 4 -28.119 15.418 -0.027 414 HG2 PRO 4 2HG PRO 4 -27.553 17.497 -2.103 415 HG3 PRO 4 1HG PRO 4 -28.237 17.695 -0.477 416 HD2 PRO 4 2HD PRO 4 -25.640 18.217 -1.029 417 HD3 PRO 4 1HD PRO 4 -26.166 17.577 0.541 418 H GLU 5 H GLU 5 -24.729 16.000 -2.910 419 HA GLU 5 HA GLU 5 -25.911 14.842 -5.263 420 HB2 GLU 5 2HB GLU 5 -23.268 16.288 -4.998 421 HB3 GLU 5 1HB GLU 5 -24.173 16.010 -6.481 422 HG2 GLU 5 2HG GLU 5 -24.986 17.771 -4.178 423 HG3 GLU 5 1HG GLU 5 -24.427 18.297 -5.764 424 H ALA 6 H ALA 6 -23.534 13.963 -2.969 425 HA ALA 6 HA ALA 6 -22.161 12.104 -4.734 426 HB1 ALA 6 1HB ALA 6 -21.800 12.476 -1.762 427 HB2 ALA 6 2HB ALA 6 -20.948 13.416 -2.985 428 HB3 ALA 6 3HB ALA 6 -20.699 11.672 -2.883 429 H ASP 7 H ASP 7 -22.371 9.890 -4.660 430 HA ASP 7 HA ASP 7 -24.840 8.853 -3.759 431 HB2 ASP 7 2HB ASP 7 -23.554 7.934 -5.685 432 HB3 ASP 7 1HB ASP 7 -22.372 7.287 -4.548 433 HA PRO 8 HA PRO 8 -23.743 8.334 0.521 434 HB2 PRO 8 2HB PRO 8 -25.932 6.839 1.206 435 HB3 PRO 8 1HB PRO 8 -25.933 8.598 1.066 436 HG2 PRO 8 2HG PRO 8 -26.861 6.539 -0.893 437 HG3 PRO 8 1HG PRO 8 -27.599 8.092 -0.464 438 HD2 PRO 8 2HD PRO 8 -26.164 7.760 -2.718 439 HD3 PRO 8 1HD PRO 8 -26.168 9.291 -1.821 440 H ARG 9 H ARG 9 -24.165 5.746 -1.739 441 HA ARG 9 HA ARG 9 -23.294 3.762 0.218 442 HB2 ARG 9 2HB ARG 9 -23.948 3.390 -2.705 443 HB3 ARG 9 1HB ARG 9 -23.688 2.115 -1.523 444 HG2 ARG 9 2HG ARG 9 -25.712 2.502 -0.468 445 HG3 ARG 9 1HG ARG 9 -25.843 4.142 -1.110 446 HD2 ARG 9 2HD ARG 9 -26.048 1.598 -2.715 447 HD3 ARG 9 1HD ARG 9 -27.405 2.605 -2.206 448 HE ARG 9 HE ARG 9 -25.601 4.210 -3.624 449 HH11 ARG 9 1HH1 ARG 9 -27.763 1.518 -4.182 450 HH12 ARG 9 2HH1 ARG 9 -28.074 1.944 -5.835 451 HH21 ARG 9 1HH2 ARG 9 -26.011 4.797 -5.780 452 HH22 ARG 9 2HH2 ARG 9 -27.087 3.826 -6.747 453 H LEU 10 H LEU 10 -22.147 5.563 -2.528 454 HA LEU 10 HA LEU 10 -19.771 4.104 -3.003 455 HB2 LEU 10 2HB LEU 10 -20.668 5.660 -4.643 456 HB3 LEU 10 1HB LEU 10 -20.450 6.999 -3.534 457 HG LEU 10 HG LEU 10 -17.967 6.546 -3.630 458 HD11 LEU 10 1HD1 LEU 10 -17.170 5.298 -5.595 459 HD12 LEU 10 2HD1 LEU 10 -18.825 4.776 -5.911 460 HD13 LEU 10 3HD1 LEU 10 -18.009 4.275 -4.428 461 HD21 LEU 10 3HD2 LEU 10 -19.438 7.337 -6.135 462 HD22 LEU 10 1HD2 LEU 10 -17.717 7.598 -5.863 463 HD23 LEU 10 2HD2 LEU 10 -18.904 8.393 -4.831 464 H ILE 11 H ILE 11 -20.574 6.795 -0.886 465 HA ILE 11 HA ILE 11 -17.899 7.255 -0.014 466 HB ILE 11 HB ILE 11 -19.823 8.912 0.096 467 HG12 ILE 11 2HG1 ILE 11 -18.277 8.501 2.661 468 HG13 ILE 11 1HG1 ILE 11 -17.614 9.226 1.204 469 HG21 ILE 11 1HG2 ILE 11 -21.215 8.896 2.091 470 HG22 ILE 11 2HG2 ILE 11 -20.501 7.361 2.588 471 HG23 ILE 11 3HG2 ILE 11 -21.476 7.448 1.120 472 HD11 ILE 11 3HD1 ILE 11 -19.267 11.027 1.357 473 HD12 ILE 11 1HD1 ILE 11 -18.237 10.937 2.787 474 HD13 ILE 11 2HD1 ILE 11 -19.885 10.313 2.845 475 H GLU 12 H GLU 12 -20.234 4.893 0.706 476 HA GLU 12 HA GLU 12 -19.475 4.333 3.396 477 HB2 GLU 12 2HB GLU 12 -21.108 2.917 1.323 478 HB3 GLU 12 1HB GLU 12 -20.646 2.078 2.798 479 HG2 GLU 12 2HG GLU 12 -22.209 4.647 2.636 480 HG3 GLU 12 1HG GLU 12 -22.866 3.050 2.986 481 H SER 13 H SER 13 -18.235 3.424 0.294 482 HA SER 13 HA SER 13 -16.939 1.036 0.984 483 HB2 SER 13 2HB SER 13 -15.941 3.036 -1.050 484 HB3 SER 13 1HB SER 13 -15.721 1.285 -1.054 485 HG SER 13 HG SER 13 -17.384 1.828 -2.471 486 H LEU 14 H LEU 14 -16.022 4.387 1.439 487 HA LEU 14 HA LEU 14 -13.308 3.821 2.133 488 HB2 LEU 14 2HB LEU 14 -15.004 6.260 2.678 489 HB3 LEU 14 1HB LEU 14 -13.277 6.158 2.960 490 HG LEU 14 HG LEU 14 -13.447 5.428 0.327 491 HD11 LEU 14 1HD1 LEU 14 -14.891 7.073 -0.763 492 HD12 LEU 14 2HD1 LEU 14 -15.500 7.584 0.809 493 HD13 LEU 14 3HD1 LEU 14 -15.824 5.950 0.226 494 HD21 LEU 14 3HD2 LEU 14 -13.136 8.233 1.391 495 HD22 LEU 14 1HD2 LEU 14 -12.536 7.617 -0.149 496 HD23 LEU 14 2HD2 LEU 14 -11.865 7.009 1.362 497 H SER 15 H SER 15 -16.285 4.397 3.973 498 HA SER 15 HA SER 15 -15.033 4.227 6.522 499 HB2 SER 15 2HB SER 15 -17.581 3.685 7.133 500 HB3 SER 15 1HB SER 15 -17.049 5.315 6.725 501 HG SER 15 HG SER 15 -18.428 3.438 5.128 502 H GLN 16 H GLN 16 -16.325 1.930 4.265 503 HA GLN 16 HA GLN 16 -16.690 -0.258 5.988 504 HB2 GLN 16 2HB GLN 16 -17.473 0.007 3.569 505 HB3 GLN 16 1HB GLN 16 -15.850 -0.482 3.105 506 HG2 GLN 16 2HG GLN 16 -17.435 -2.341 3.060 507 HG3 GLN 16 1HG GLN 16 -16.126 -2.604 4.210 508 HE21 GLN 16 1HE2 GLN 16 -17.329 -4.089 5.388 509 HE22 GLN 16 2HE2 GLN 16 -18.644 -3.613 6.407 510 H MET 17 H MET 17 -13.866 0.917 4.240 511 HA MET 17 HA MET 17 -12.175 -1.270 4.747 512 HB2 MET 17 2HB MET 17 -11.409 1.640 4.422 513 HB3 MET 17 1HB MET 17 -10.312 0.275 4.297 514 HG2 MET 17 2HG MET 17 -12.585 0.953 2.456 515 HG3 MET 17 1HG MET 17 -10.862 1.025 2.100 516 HE1 MET 17 3HE MET 17 -9.353 -1.041 1.586 517 HE2 MET 17 1HE MET 17 -9.831 -2.708 1.900 518 HE3 MET 17 2HE MET 17 -9.638 -1.579 3.241 519 H LEU 18 H LEU 18 -12.837 1.687 6.544 520 HA LEU 18 HA LEU 18 -10.976 1.308 8.617 521 HB2 LEU 18 2HB LEU 18 -12.060 3.447 8.191 522 HB3 LEU 18 1HB LEU 18 -13.621 2.762 8.590 523 HG LEU 18 HG LEU 18 -12.761 2.385 10.925 524 HD11 LEU 18 1HD1 LEU 18 -10.509 4.139 9.962 525 HD12 LEU 18 2HD1 LEU 18 -10.378 2.446 10.441 526 HD13 LEU 18 3HD1 LEU 18 -10.816 3.668 11.635 527 HD21 LEU 18 3HD2 LEU 18 -14.215 4.264 10.335 528 HD22 LEU 18 1HD2 LEU 18 -12.797 5.231 9.937 529 HD23 LEU 18 2HD2 LEU 18 -13.063 4.701 11.597 530 H SER 19 H SER 19 -14.333 0.281 8.221 531 HA SER 19 HA SER 19 -14.575 -0.853 10.827 532 HB2 SER 19 2HB SER 19 -16.483 -0.101 9.294 533 HB3 SER 19 1HB SER 19 -16.225 -1.602 8.407 534 HG SER 19 HG SER 19 -16.819 -1.415 11.185 535 H MET 20 H MET 20 -13.520 -2.018 7.701 536 HA MET 20 HA MET 20 -13.550 -4.791 8.326 537 HB2 MET 20 2HB MET 20 -13.430 -3.648 6.021 538 HB3 MET 20 1HB MET 20 -11.705 -3.502 6.324 539 HG2 MET 20 2HG MET 20 -11.598 -5.962 6.611 540 HG3 MET 20 1HG MET 20 -13.298 -6.048 6.159 541 HE1 MET 20 3HE MET 20 -13.266 -3.633 3.843 542 HE2 MET 20 1HE MET 20 -14.209 -5.125 3.834 543 HE3 MET 20 2HE MET 20 -13.186 -4.721 2.456 544 H GLY 21 H GLY 21 -11.301 -2.198 8.871 545 HA2 GLY 21 2HA GLY 21 -9.813 -2.471 10.790 546 HA3 GLY 21 1HA GLY 21 -9.520 -4.116 10.243 547 H PHE 22 H PHE 22 -9.712 -1.508 7.967 548 HA PHE 22 HA PHE 22 -6.788 -1.628 7.618 549 HB2 PHE 22 2HB PHE 22 -9.003 -1.443 5.569 550 HB3 PHE 22 1HB PHE 22 -7.339 -1.010 5.190 551 HD1 PHE 22 2HD PHE 22 -5.564 -2.727 5.299 552 HD2 PHE 22 1HD PHE 22 -9.683 -3.701 5.704 553 HE1 PHE 22 2HE PHE 22 -5.047 -5.082 4.813 554 HE2 PHE 22 1HE PHE 22 -9.176 -6.064 5.224 555 HZ PHE 22 HZ PHE 22 -6.858 -6.754 4.775 556 H SER 23 H SER 23 -5.816 0.207 8.036 557 HA SER 23 HA SER 23 -6.633 2.728 7.082 558 HB2 SER 23 2HB SER 23 -6.863 3.692 9.511 559 HB3 SER 23 1HB SER 23 -8.261 2.931 8.757 560 HG SER 23 HG SER 23 -7.629 2.293 11.010 561 H ASP 24 H ASP 24 -4.798 3.852 6.838 562 HA ASP 24 HA ASP 24 -2.501 3.011 8.460 563 HB2 ASP 24 2HB ASP 24 -1.095 3.302 6.649 564 HB3 ASP 24 1HB ASP 24 -2.559 2.719 5.870 565 H GLU 25 H GLU 25 -0.730 4.904 8.306 566 HA GLU 25 HA GLU 25 -2.089 7.233 9.483 567 HB2 GLU 25 2HB GLU 25 0.718 7.233 10.029 568 HB3 GLU 25 1HB GLU 25 -0.625 7.100 11.155 569 HG2 GLU 25 2HG GLU 25 0.565 5.186 11.598 570 HG3 GLU 25 1HG GLU 25 -0.644 4.608 10.455 571 H GLY 26 H GLY 26 0.598 6.319 7.357 572 HA2 GLY 26 2HA GLY 26 1.459 8.912 6.698 573 HA3 GLY 26 1HA GLY 26 1.698 7.483 5.707 574 H GLY 27 H GLY 27 -1.240 7.064 5.530 575 HA2 GLY 27 2HA GLY 27 -3.118 8.136 4.523 576 HA3 GLY 27 1HA GLY 27 -2.042 9.392 3.920 577 H TRP 28 H TRP 28 -1.026 6.105 3.698 578 HA TRP 28 HA TRP 28 -0.887 6.354 0.845 579 HB2 TRP 28 2HB TRP 28 0.453 4.463 0.843 580 HB3 TRP 28 1HB TRP 28 0.773 5.127 2.430 581 HD1 TRP 28 HD TRP 28 0.234 3.629 4.491 582 HE1 TRP 28 1HE TRP 28 -0.542 1.192 4.763 583 HE3 TRP 28 3HE TRP 28 -1.122 2.654 -0.345 584 HZ2 TRP 28 2HZ TRP 28 -1.584 -0.872 3.150 585 HZ3 TRP 28 3HZ TRP 28 -1.992 0.417 -0.897 586 HH2 TRP 28 HH TRP 28 -2.218 -1.306 0.812 587 H LEU 29 H LEU 29 -3.032 4.824 3.130 588 HA LEU 29 HA LEU 29 -4.339 3.135 1.242 589 HB2 LEU 29 2HB LEU 29 -4.381 2.865 3.738 590 HB3 LEU 29 1HB LEU 29 -5.477 4.234 3.811 591 HG LEU 29 HG LEU 29 -6.978 2.859 2.227 592 HD11 LEU 29 1HD1 LEU 29 -5.371 1.165 1.608 593 HD12 LEU 29 2HD1 LEU 29 -6.718 0.424 2.473 594 HD13 LEU 29 3HD1 LEU 29 -5.179 0.692 3.295 595 HD21 LEU 29 3HD2 LEU 29 -7.526 3.341 4.552 596 HD22 LEU 29 1HD2 LEU 29 -6.541 1.974 5.075 597 HD23 LEU 29 2HD2 LEU 29 -7.996 1.698 4.118 598 H THR 30 H THR 30 -4.953 6.402 2.455 599 HA THR 30 HA THR 30 -7.431 6.709 1.101 600 HB THR 30 HB THR 30 -6.491 8.084 3.099 601 HG1 THR 30 1HG THR 30 -7.923 9.236 0.921 602 HG21 THR 30 3HG2 THR 30 -5.412 9.668 0.766 603 HG22 THR 30 1HG2 THR 30 -4.472 8.925 2.062 604 HG23 THR 30 2HG2 THR 30 -5.552 10.268 2.419 605 H ARG 31 H ARG 31 -4.174 6.838 0.068 606 HA ARG 31 HA ARG 31 -4.758 8.446 -2.282 607 HB2 ARG 31 2HB ARG 31 -2.239 6.999 -1.422 608 HB3 ARG 31 1HB ARG 31 -2.371 7.995 -2.865 609 HG2 ARG 31 2HG ARG 31 -2.837 9.011 -0.069 610 HG3 ARG 31 1HG ARG 31 -1.293 9.104 -0.916 611 HD2 ARG 31 2HD ARG 31 -3.853 10.277 -1.985 612 HD3 ARG 31 1HD ARG 31 -2.706 11.182 -1.001 613 HE ARG 31 HE ARG 31 -1.260 10.096 -3.104 614 HH11 ARG 31 1HH1 ARG 31 -3.890 12.375 -2.679 615 HH12 ARG 31 2HH1 ARG 31 -3.515 13.248 -4.129 616 HH21 ARG 31 1HH2 ARG 31 -0.766 11.269 -4.996 617 HH22 ARG 31 2HH2 ARG 31 -1.741 12.640 -5.434 618 H LEU 32 H LEU 32 -4.129 5.106 -1.383 619 HA LEU 32 HA LEU 32 -3.967 3.991 -3.950 620 HB2 LEU 32 2HB LEU 32 -3.333 2.854 -1.833 621 HB3 LEU 32 1HB LEU 32 -5.033 2.699 -1.432 622 HG LEU 32 HG LEU 32 -5.151 1.459 -3.747 623 HD11 LEU 32 1HD1 LEU 32 -2.894 1.867 -4.461 624 HD12 LEU 32 2HD1 LEU 32 -3.093 0.143 -4.147 625 HD13 LEU 32 3HD1 LEU 32 -2.255 1.162 -2.977 626 HD21 LEU 32 3HD2 LEU 32 -5.749 0.407 -1.688 627 HD22 LEU 32 1HD2 LEU 32 -4.058 0.280 -1.202 628 HD23 LEU 32 2HD2 LEU 32 -4.660 -0.672 -2.560 629 H LEU 33 H LEU 33 -6.734 4.751 -1.909 630 HA LEU 33 HA LEU 33 -8.683 3.367 -3.425 631 HB2 LEU 33 2HB LEU 33 -8.897 5.722 -1.558 632 HB3 LEU 33 1HB LEU 33 -10.285 4.912 -2.256 633 HG LEU 33 HG LEU 33 -8.258 3.625 -0.423 634 HD11 LEU 33 1HD1 LEU 33 -10.084 3.646 1.216 635 HD12 LEU 33 2HD1 LEU 33 -11.081 4.560 0.083 636 HD13 LEU 33 3HD1 LEU 33 -9.607 5.274 0.737 637 HD21 LEU 33 3HD2 LEU 33 -9.161 1.967 -1.877 638 HD22 LEU 33 1HD2 LEU 33 -10.795 2.608 -1.692 639 HD23 LEU 33 2HD2 LEU 33 -10.000 1.820 -0.331 640 H GLN 34 H GLN 34 -6.870 6.071 -4.231 641 HA GLN 34 HA GLN 34 -8.983 7.231 -5.887 642 HB2 GLN 34 2HB GLN 34 -6.229 8.154 -5.112 643 HB3 GLN 34 1HB GLN 34 -7.105 8.909 -6.439 644 HG2 GLN 34 2HG GLN 34 -8.029 8.727 -3.577 645 HG3 GLN 34 1HG GLN 34 -7.381 10.157 -4.378 646 HE21 GLN 34 1HE2 GLN 34 -10.114 8.072 -4.014 647 HE22 GLN 34 2HE2 GLN 34 -11.240 9.051 -4.888 648 H THR 35 H THR 35 -5.716 5.844 -6.236 649 HA THR 35 HA THR 35 -5.878 5.929 -9.109 650 HB THR 35 HB THR 35 -3.731 4.514 -8.905 651 HG1 THR 35 1HG THR 35 -2.900 4.234 -6.932 652 HG21 THR 35 3HG2 THR 35 -3.691 6.882 -9.439 653 HG22 THR 35 1HG2 THR 35 -2.401 6.512 -8.293 654 HG23 THR 35 2HG2 THR 35 -3.880 7.297 -7.735 655 H LYS 36 H LYS 36 -6.444 3.550 -6.603 656 HA LYS 36 HA LYS 36 -6.829 1.464 -8.633 657 HB2 LYS 36 2HB LYS 36 -6.168 1.493 -5.754 658 HB3 LYS 36 1HB LYS 36 -7.246 0.202 -6.267 659 HG2 LYS 36 2HG LYS 36 -4.858 -0.441 -6.257 660 HG3 LYS 36 1HG LYS 36 -5.622 -0.604 -7.838 661 HD2 LYS 36 2HD LYS 36 -4.618 1.470 -8.579 662 HD3 LYS 36 1HD LYS 36 -3.941 1.749 -6.973 663 HE2 LYS 36 2HE LYS 36 -2.429 -0.042 -7.187 664 HE3 LYS 36 1HE LYS 36 -3.291 -0.707 -8.571 665 HZ1 LYS 36 3HZ LYS 36 -1.883 1.903 -8.588 666 HZ2 LYS 36 1HZ LYS 36 -2.582 1.111 -9.914 667 HZ3 LYS 36 2HZ LYS 36 -1.217 0.454 -9.166 668 H ASN 37 H ASN 37 -8.593 3.826 -7.457 669 HA ASN 37 HA ASN 37 -10.808 4.303 -7.413 670 HB2 ASN 37 2HB ASN 37 -10.777 2.490 -9.339 671 HB3 ASN 37 1HB ASN 37 -11.599 1.506 -8.133 672 HD21 ASN 37 1HD2 ASN 37 -11.826 4.228 -10.246 673 HD22 ASN 37 2HD2 ASN 37 -13.522 4.500 -10.045 674 H TYR 38 H TYR 38 -12.998 3.203 -6.462 675 HA TYR 38 HA TYR 38 -12.258 2.534 -3.716 676 HB2 TYR 38 2HB TYR 38 -15.065 3.075 -4.651 677 HB3 TYR 38 1HB TYR 38 -14.363 3.339 -3.059 678 HD1 TYR 38 1HD TYR 38 -12.861 5.294 -2.687 679 HD2 TYR 38 2HD TYR 38 -14.978 4.754 -6.336 680 HE1 TYR 38 1HE TYR 38 -12.488 7.660 -3.243 681 HE2 TYR 38 2HE TYR 38 -14.612 7.119 -6.907 682 HH TYR 38 HH TYR 38 -14.170 9.322 -5.457 683 H ASP 39 H ASP 39 -11.984 0.535 -5.743 684 HA ASP 39 HA ASP 39 -14.247 -1.260 -5.453 685 HB2 ASP 39 2HB ASP 39 -12.723 -0.933 -7.554 686 HB3 ASP 39 1HB ASP 39 -11.636 -2.033 -6.716 687 H ILE 40 H ILE 40 -14.406 -2.123 -3.496 688 HA ILE 40 HA ILE 40 -12.355 -2.612 -1.676 689 HB ILE 40 HB ILE 40 -15.041 -3.975 -1.914 690 HG12 ILE 40 2HG1 ILE 40 -14.161 -1.705 -0.117 691 HG13 ILE 40 1HG1 ILE 40 -15.035 -1.485 -1.627 692 HG21 ILE 40 1HG2 ILE 40 -13.571 -5.337 -0.561 693 HG22 ILE 40 2HG2 ILE 40 -14.757 -4.538 0.471 694 HG23 ILE 40 3HG2 ILE 40 -13.103 -3.929 0.395 695 HD11 ILE 40 3HD1 ILE 40 -16.045 -2.975 0.784 696 HD12 ILE 40 1HD1 ILE 40 -16.924 -2.735 -0.726 697 HD13 ILE 40 2HD1 ILE 40 -16.520 -1.352 0.293 698 H GLY 41 H GLY 41 -13.869 -4.834 -4.001 699 HA2 GLY 41 2HA GLY 41 -12.535 -7.172 -3.237 700 HA3 GLY 41 1HA GLY 41 -13.194 -6.857 -4.832 701 H ALA 42 H ALA 42 -11.621 -4.732 -5.646 702 HA ALA 42 HA ALA 42 -9.295 -6.090 -6.528 703 HB1 ALA 42 1HB ALA 42 -8.739 -4.082 -7.688 704 HB2 ALA 42 2HB ALA 42 -9.808 -3.126 -6.664 705 HB3 ALA 42 3HB ALA 42 -10.485 -4.301 -7.790 706 H ALA 43 H ALA 43 -9.772 -3.460 -4.195 707 HA ALA 43 HA ALA 43 -7.083 -3.001 -3.565 708 HB1 ALA 43 1HB ALA 43 -9.455 -2.688 -1.733 709 HB2 ALA 43 2HB ALA 43 -8.934 -1.508 -2.936 710 HB3 ALA 43 3HB ALA 43 -7.883 -1.897 -1.573 711 H LEU 44 H LEU 44 -9.371 -5.326 -2.259 712 HA LEU 44 HA LEU 44 -7.859 -6.227 -0.072 713 HB2 LEU 44 2HB LEU 44 -10.322 -6.793 -1.206 714 HB3 LEU 44 1HB LEU 44 -9.439 -8.296 -1.382 715 HG LEU 44 HG LEU 44 -8.994 -8.280 1.061 716 HD11 LEU 44 1HD1 LEU 44 -10.355 -6.762 2.459 717 HD12 LEU 44 2HD1 LEU 44 -10.819 -5.882 1.003 718 HD13 LEU 44 3HD1 LEU 44 -9.131 -5.920 1.512 719 HD21 LEU 44 3HD2 LEU 44 -10.865 -9.546 0.147 720 HD22 LEU 44 1HD2 LEU 44 -11.901 -8.124 0.274 721 HD23 LEU 44 2HD2 LEU 44 -11.265 -8.885 1.732 722 H ASP 45 H ASP 45 -7.946 -7.283 -3.443 723 HA ASP 45 HA ASP 45 -6.069 -9.431 -2.961 724 HB2 ASP 45 2HB ASP 45 -8.001 -9.360 -4.689 725 HB3 ASP 45 1HB ASP 45 -6.875 -8.437 -5.679 726 H THR 46 H THR 46 -5.766 -6.146 -3.368 727 HA THR 46 HA THR 46 -3.548 -5.950 -5.104 728 HB THR 46 HB THR 46 -4.409 -4.074 -2.889 729 HG1 THR 46 1HG THR 46 -5.815 -4.620 -4.861 730 HG21 THR 46 3HG2 THR 46 -3.105 -2.372 -4.009 731 HG22 THR 46 1HG2 THR 46 -2.637 -3.510 -5.274 732 HG23 THR 46 2HG2 THR 46 -2.056 -3.738 -3.624 733 H ILE 47 H ILE 47 -3.779 -6.427 -1.598 734 HA ILE 47 HA ILE 47 -0.844 -6.686 -1.562 735 HB ILE 47 HB ILE 47 -0.949 -6.183 0.863 736 HG12 ILE 47 2HG1 ILE 47 -3.798 -5.327 0.295 737 HG13 ILE 47 1HG1 ILE 47 -3.368 -6.823 1.114 738 HG21 ILE 47 1HG2 ILE 47 -2.126 -4.002 -0.862 739 HG22 ILE 47 2HG2 ILE 47 -0.427 -4.474 -0.866 740 HG23 ILE 47 3HG2 ILE 47 -1.148 -3.799 0.594 741 HD11 ILE 47 3HD1 ILE 47 -2.273 -5.509 2.884 742 HD12 ILE 47 1HD1 ILE 47 -3.994 -5.149 2.726 743 HD13 ILE 47 2HD1 ILE 47 -2.795 -4.033 2.075 744 H GLN 48 H GLN 48 -3.146 -8.663 -2.000 745 HA GLN 48 HA GLN 48 -3.398 -10.900 -1.727 746 HB2 GLN 48 2HB GLN 48 -0.764 -10.601 -1.157 747 HB3 GLN 48 1HB GLN 48 -1.347 -11.257 0.366 748 HG2 GLN 48 2HG GLN 48 -1.960 -12.552 -2.269 749 HG3 GLN 48 1HG GLN 48 -0.487 -12.899 -1.367 750 HE21 GLN 48 1HE2 GLN 48 -2.830 -14.572 -2.086 751 HE22 GLN 48 2HE2 GLN 48 -3.393 -15.240 -0.593 752 H TYR 49 H TYR 49 -2.827 -9.139 1.291 753 HA TYR 49 HA TYR 49 -4.155 -10.837 3.055 754 HB2 TYR 49 2HB TYR 49 -3.836 -7.831 3.094 755 HB3 TYR 49 1HB TYR 49 -4.514 -8.749 4.430 756 HD1 TYR 49 1HD TYR 49 -3.102 -10.182 5.800 757 HD2 TYR 49 2HD TYR 49 -1.446 -7.900 2.613 758 HE1 TYR 49 1HE TYR 49 -0.850 -10.549 6.711 759 HE2 TYR 49 2HE TYR 49 0.816 -8.269 3.517 760 HH TYR 49 HH TYR 49 1.931 -8.874 5.491 761 H SER 50 H SER 50 -6.073 -11.664 2.385 762 HA SER 50 HA SER 50 -8.304 -9.774 2.241 763 HB2 SER 50 2HB SER 50 -9.206 -11.578 0.484 764 HB3 SER 50 1HB SER 50 -8.261 -10.178 -0.015 765 HG SER 50 HG SER 50 -6.377 -11.645 0.246 766 H LYS 51 H LYS 51 -7.239 -13.103 2.719 767 HA LYS 51 HA LYS 51 -9.779 -13.870 3.873 768 HB2 LYS 51 2HB LYS 51 -7.183 -15.406 3.698 769 HB3 LYS 51 1HB LYS 51 -8.726 -16.060 4.225 770 HG2 LYS 51 2HG LYS 51 -9.406 -15.062 1.808 771 HG3 LYS 51 1HG LYS 51 -7.726 -15.522 1.521 772 HD2 LYS 51 2HD LYS 51 -8.976 -17.437 0.974 773 HD3 LYS 51 1HD LYS 51 -8.332 -17.763 2.583 774 HE2 LYS 51 2HE LYS 51 -10.478 -17.045 3.558 775 HE3 LYS 51 1HE LYS 51 -11.112 -16.776 1.939 776 HZ1 LYS 51 3HZ LYS 51 -10.475 -19.308 3.279 777 HZ2 LYS 51 1HZ LYS 51 -10.445 -19.228 1.592 778 HZ3 LYS 51 2HZ LYS 51 -11.870 -18.870 2.430 779 H HIS 52 H HIS 52 -6.407 -13.842 5.059 780 HA HIS 52 HA HIS 52 -7.243 -12.734 7.576 781 HB2 HIS 52 2HB HIS 52 -7.607 -15.360 7.548 782 HB3 HIS 52 1HB HIS 52 -5.873 -15.377 7.852 783 HD1 HIS 52 1HD HIS 52 -5.091 -14.781 10.199 784 HD2 HIS 52 2HD HIS 52 -9.162 -14.172 9.610 785 HE1 HIS 52 1HE HIS 52 -6.039 -14.301 12.475 786 HE2 HIS 52 2HE HIS 52 -8.525 -14.120 12.116 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 19.569 20.059 -3.000 2 H2 GLY 1 2HT GLY 1 17.955 19.584 -2.822 3 H3 GLY 1 3HT GLY 1 18.506 20.163 -4.311 4 HA2 GLY 1 1HA GLY 1 18.282 17.772 -4.373 5 HA3 GLY 1 2HA GLY 1 19.960 18.268 -4.563 6 H SER 2 H SER 2 20.970 16.502 -3.736 7 HA SER 2 HA SER 2 20.209 15.627 -1.043 8 HB2 SER 2 2HB SER 2 22.217 13.954 -2.166 9 HB3 SER 2 1HB SER 2 20.522 13.567 -1.870 10 HG SER 2 HG SER 2 20.019 14.344 -3.920 11 HA PRO 3 HA PRO 3 23.909 17.800 0.265 12 HB2 PRO 3 2HB PRO 3 23.568 17.455 2.918 13 HB3 PRO 3 1HB PRO 3 22.628 18.628 1.989 14 HG2 PRO 3 2HG PRO 3 21.847 15.911 2.952 15 HG3 PRO 3 1HG PRO 3 20.888 17.398 2.892 16 HD2 PRO 3 2HD PRO 3 20.713 15.371 1.045 17 HD3 PRO 3 1HD PRO 3 20.288 17.063 0.712 18 HA PRO 4 HA PRO 4 26.867 14.493 0.537 19 HB2 PRO 4 2HB PRO 4 28.350 16.381 2.290 20 HB3 PRO 4 1HB PRO 4 28.887 15.533 0.837 21 HG2 PRO 4 2HG PRO 4 28.312 18.133 0.771 22 HG3 PRO 4 1HG PRO 4 27.907 17.067 -0.585 23 HD2 PRO 4 2HD PRO 4 26.132 18.236 1.503 24 HD3 PRO 4 1HD PRO 4 25.803 17.904 -0.210 25 H GLU 5 H GLU 5 25.515 16.013 3.349 26 HA GLU 5 HA GLU 5 26.697 14.296 5.291 27 HB2 GLU 5 2HB GLU 5 24.245 16.051 5.415 28 HB3 GLU 5 1HB GLU 5 24.959 15.233 6.799 29 HG2 GLU 5 2HG GLU 5 26.391 17.251 5.090 30 HG3 GLU 5 1HG GLU 5 25.578 17.620 6.608 31 H ALA 6 H ALA 6 24.014 14.031 3.145 32 HA ALA 6 HA ALA 6 22.581 12.046 4.628 33 HB1 ALA 6 1HB ALA 6 22.432 12.781 1.705 34 HB2 ALA 6 2HB ALA 6 21.434 13.448 2.998 35 HB3 ALA 6 3HB ALA 6 21.291 11.745 2.563 36 H ASP 7 H ASP 7 22.732 9.867 4.514 37 HA ASP 7 HA ASP 7 25.171 8.722 3.655 38 HB2 ASP 7 2HB ASP 7 23.560 7.914 5.502 39 HB3 ASP 7 1HB ASP 7 22.670 7.138 4.196 40 HA PRO 8 HA PRO 8 24.086 8.309 -0.659 41 HB2 PRO 8 2HB PRO 8 26.323 6.914 -1.383 42 HB3 PRO 8 1HB PRO 8 26.293 8.668 -1.159 43 HG2 PRO 8 2HG PRO 8 27.224 6.533 0.718 44 HG3 PRO 8 1HG PRO 8 27.957 8.105 0.355 45 HD2 PRO 8 2HD PRO 8 26.497 7.678 2.583 46 HD3 PRO 8 1HD PRO 8 26.514 9.246 1.748 47 H ARG 9 H ARG 9 24.630 5.754 1.601 48 HA ARG 9 HA ARG 9 23.807 3.702 -0.311 49 HB2 ARG 9 2HB ARG 9 24.552 3.436 2.608 50 HB3 ARG 9 1HB ARG 9 24.270 2.110 1.488 51 HG2 ARG 9 2HG ARG 9 26.261 2.437 0.384 52 HG3 ARG 9 1HG ARG 9 26.364 4.135 0.854 53 HD2 ARG 9 2HD ARG 9 26.733 1.764 2.682 54 HD3 ARG 9 1HD ARG 9 28.019 2.784 2.042 55 HE ARG 9 HE ARG 9 26.010 4.252 3.486 56 HH11 ARG 9 1HH1 ARG 9 28.966 2.396 3.778 57 HH12 ARG 9 2HH1 ARG 9 29.419 3.126 5.282 58 HH21 ARG 9 1HH2 ARG 9 26.610 5.210 5.467 59 HH22 ARG 9 2HH2 ARG 9 28.084 4.713 6.245 60 H LEU 10 H LEU 10 22.685 5.341 2.600 61 HA LEU 10 HA LEU 10 20.332 3.802 2.950 62 HB2 LEU 10 2HB LEU 10 21.359 5.271 4.688 63 HB3 LEU 10 1HB LEU 10 20.792 6.665 3.783 64 HG LEU 10 HG LEU 10 18.448 5.803 4.077 65 HD11 LEU 10 1HD1 LEU 10 18.097 4.185 5.918 66 HD12 LEU 10 2HD1 LEU 10 19.838 3.896 5.949 67 HD13 LEU 10 3HD1 LEU 10 18.902 3.486 4.513 68 HD21 LEU 10 3HD2 LEU 10 20.031 6.444 6.560 69 HD22 LEU 10 1HD2 LEU 10 18.276 6.529 6.418 70 HD23 LEU 10 2HD2 LEU 10 19.289 7.600 5.455 71 H ILE 11 H ILE 11 21.073 6.696 1.089 72 HA ILE 11 HA ILE 11 18.381 7.298 0.393 73 HB ILE 11 HB ILE 11 20.328 8.902 0.265 74 HG12 ILE 11 2HG1 ILE 11 18.691 8.633 -2.264 75 HG13 ILE 11 1HG1 ILE 11 18.101 9.328 -0.758 76 HG21 ILE 11 1HG2 ILE 11 21.665 8.927 -1.778 77 HG22 ILE 11 2HG2 ILE 11 20.892 7.433 -2.304 78 HG23 ILE 11 3HG2 ILE 11 21.911 7.438 -0.866 79 HD11 ILE 11 3HD1 ILE 11 19.734 11.109 -0.913 80 HD12 ILE 11 1HD1 ILE 11 18.751 11.036 -2.375 81 HD13 ILE 11 2HD1 ILE 11 20.394 10.397 -2.386 82 H GLU 12 H GLU 12 20.559 4.894 -0.599 83 HA GLU 12 HA GLU 12 19.512 4.535 -3.246 84 HB2 GLU 12 2HB GLU 12 21.415 2.968 -1.530 85 HB3 GLU 12 1HB GLU 12 20.804 2.311 -3.046 86 HG2 GLU 12 2HG GLU 12 22.308 4.900 -2.732 87 HG3 GLU 12 1HG GLU 12 22.974 3.381 -3.329 88 H SER 13 H SER 13 18.433 3.707 -0.151 89 HA SER 13 HA SER 13 17.194 1.234 -0.656 90 HB2 SER 13 2HB SER 13 16.360 3.440 1.250 91 HB3 SER 13 1HB SER 13 15.756 1.782 1.288 92 HG SER 13 HG SER 13 18.355 1.557 1.279 93 H LEU 14 H LEU 14 16.304 4.523 -1.393 94 HA LEU 14 HA LEU 14 13.601 3.928 -2.143 95 HB2 LEU 14 2HB LEU 14 15.378 6.284 -2.797 96 HB3 LEU 14 1HB LEU 14 13.679 6.184 -3.211 97 HG LEU 14 HG LEU 14 13.594 5.741 -0.515 98 HD11 LEU 14 1HD1 LEU 14 15.022 7.404 0.552 99 HD12 LEU 14 2HD1 LEU 14 15.776 7.768 -1.001 100 HD13 LEU 14 3HD1 LEU 14 15.987 6.178 -0.270 101 HD21 LEU 14 3HD2 LEU 14 13.471 8.384 -1.968 102 HD22 LEU 14 1HD2 LEU 14 12.828 8.074 -0.356 103 HD23 LEU 14 2HD2 LEU 14 12.144 7.243 -1.754 104 H SER 15 H SER 15 16.652 4.473 -3.848 105 HA SER 15 HA SER 15 15.709 4.151 -6.463 106 HB2 SER 15 2HB SER 15 18.469 3.255 -5.788 107 HB3 SER 15 1HB SER 15 17.916 4.336 -7.070 108 HG SER 15 HG SER 15 19.097 5.178 -5.032 109 H GLN 16 H GLN 16 16.955 1.816 -4.120 110 HA GLN 16 HA GLN 16 17.090 -0.421 -5.781 111 HB2 GLN 16 2HB GLN 16 17.959 -0.178 -3.406 112 HB3 GLN 16 1HB GLN 16 16.319 -0.513 -2.869 113 HG2 GLN 16 2HG GLN 16 17.799 -2.493 -2.843 114 HG3 GLN 16 1HG GLN 16 16.371 -2.695 -3.858 115 HE21 GLN 16 1HE2 GLN 16 16.617 -2.860 -6.081 116 HE22 GLN 16 2HE2 GLN 16 18.158 -3.090 -6.833 117 H MET 17 H MET 17 14.378 0.892 -3.933 118 HA MET 17 HA MET 17 12.574 -1.215 -4.459 119 HB2 MET 17 2HB MET 17 12.095 1.700 -3.827 120 HB3 MET 17 1HB MET 17 10.806 0.512 -3.951 121 HG2 MET 17 2HG MET 17 13.096 0.381 -2.004 122 HG3 MET 17 1HG MET 17 11.481 0.972 -1.627 123 HE1 MET 17 3HE MET 17 9.420 -0.448 -1.259 124 HE2 MET 17 1HE MET 17 9.276 -2.162 -1.649 125 HE3 MET 17 2HE MET 17 9.446 -0.976 -2.941 126 H LEU 18 H LEU 18 13.283 1.815 -6.093 127 HA LEU 18 HA LEU 18 11.340 1.681 -8.108 128 HB2 LEU 18 2HB LEU 18 12.566 3.715 -7.600 129 HB3 LEU 18 1HB LEU 18 14.075 2.959 -8.071 130 HG LEU 18 HG LEU 18 12.921 2.719 -10.400 131 HD11 LEU 18 1HD1 LEU 18 11.371 5.014 -9.205 132 HD12 LEU 18 2HD1 LEU 18 10.704 3.442 -9.645 133 HD13 LEU 18 3HD1 LEU 18 11.347 4.507 -10.894 134 HD21 LEU 18 3HD2 LEU 18 14.894 4.059 -9.987 135 HD22 LEU 18 1HD2 LEU 18 13.904 5.353 -9.313 136 HD23 LEU 18 2HD2 LEU 18 13.771 4.940 -11.022 137 H SER 19 H SER 19 14.697 0.538 -8.002 138 HA SER 19 HA SER 19 14.834 -0.427 -10.642 139 HB2 SER 19 2HB SER 19 16.372 -1.362 -8.205 140 HB3 SER 19 1HB SER 19 16.832 -1.622 -9.889 141 HG SER 19 HG SER 19 17.537 0.363 -10.008 142 H MET 20 H MET 20 13.505 -1.825 -7.730 143 HA MET 20 HA MET 20 13.440 -4.500 -8.790 144 HB2 MET 20 2HB MET 20 12.515 -3.191 -6.287 145 HB3 MET 20 1HB MET 20 11.737 -4.697 -6.753 146 HG2 MET 20 2HG MET 20 14.029 -5.712 -6.920 147 HG3 MET 20 1HG MET 20 14.650 -4.229 -6.196 148 HE1 MET 20 3HE MET 20 12.228 -3.545 -4.137 149 HE2 MET 20 1HE MET 20 13.951 -3.357 -3.804 150 HE3 MET 20 2HE MET 20 12.926 -4.252 -2.684 151 H GLY 21 H GLY 21 11.678 -1.774 -9.445 152 HA2 GLY 21 2HA GLY 21 9.974 -1.765 -11.091 153 HA3 GLY 21 1HA GLY 21 9.557 -3.408 -10.631 154 H PHE 22 H PHE 22 10.054 -1.275 -8.009 155 HA PHE 22 HA PHE 22 7.150 -1.165 -7.610 156 HB2 PHE 22 2HB PHE 22 9.470 -1.310 -5.746 157 HB3 PHE 22 1HB PHE 22 8.033 -0.449 -5.203 158 HD1 PHE 22 1HD PHE 22 9.401 -3.698 -6.189 159 HD2 PHE 22 2HD PHE 22 5.984 -1.610 -4.751 160 HE1 PHE 22 1HE PHE 22 8.351 -5.841 -5.585 161 HE2 PHE 22 2HE PHE 22 4.927 -3.746 -4.146 162 HZ PHE 22 HZ PHE 22 6.110 -5.867 -4.563 163 H SER 23 H SER 23 6.138 0.659 -7.880 164 HA SER 23 HA SER 23 7.311 3.187 -7.138 165 HB2 SER 23 2HB SER 23 6.520 2.681 -10.019 166 HB3 SER 23 1HB SER 23 7.035 4.226 -9.347 167 HG SER 23 HG SER 23 8.883 2.422 -8.729 168 H ASP 24 H ASP 24 5.742 4.782 -6.812 169 HA ASP 24 HA ASP 24 3.039 3.700 -6.705 170 HB2 ASP 24 2HB ASP 24 2.611 5.811 -5.318 171 HB3 ASP 24 1HB ASP 24 3.612 4.553 -4.609 172 H GLU 25 H GLU 25 1.233 4.897 -7.378 173 HA GLU 25 HA GLU 25 1.791 6.588 -9.710 174 HB2 GLU 25 2HB GLU 25 -0.999 5.956 -9.384 175 HB3 GLU 25 1HB GLU 25 0.083 5.527 -10.699 176 HG2 GLU 25 2HG GLU 25 -0.673 3.475 -9.959 177 HG3 GLU 25 1HG GLU 25 0.878 3.642 -9.135 178 H GLY 26 H GLY 26 -0.190 6.404 -6.791 179 HA2 GLY 26 2HA GLY 26 -0.876 9.244 -7.049 180 HA3 GLY 26 1HA GLY 26 -1.591 8.105 -5.917 181 H GLY 27 H GLY 27 1.676 7.629 -5.896 182 HA2 GLY 27 2HA GLY 27 3.420 8.393 -4.581 183 HA3 GLY 27 1HA GLY 27 2.435 9.778 -4.138 184 H TRP 28 H TRP 28 1.815 6.304 -3.739 185 HA TRP 28 HA TRP 28 1.270 6.822 -0.928 186 HB2 TRP 28 2HB TRP 28 0.018 4.816 -0.892 187 HB3 TRP 28 1HB TRP 28 -0.373 5.589 -2.413 188 HD1 TRP 28 HD TRP 28 0.215 4.286 -4.625 189 HE1 TRP 28 1HE TRP 28 0.986 1.872 -5.093 190 HE3 TRP 28 3HE TRP 28 1.546 2.921 0.119 191 HZ2 TRP 28 2HZ TRP 28 2.024 -0.315 -3.639 192 HZ3 TRP 28 3HZ TRP 28 2.425 0.655 0.492 193 HH2 TRP 28 HH TRP 28 2.662 -0.927 -1.348 194 H LEU 29 H LEU 29 3.534 5.135 -2.960 195 HA LEU 29 HA LEU 29 4.627 3.474 -0.912 196 HB2 LEU 29 2HB LEU 29 4.770 3.046 -3.391 197 HB3 LEU 29 1HB LEU 29 5.951 4.337 -3.482 198 HG LEU 29 HG LEU 29 7.369 3.025 -1.857 199 HD11 LEU 29 1HD1 LEU 29 5.703 1.590 -0.885 200 HD12 LEU 29 2HD1 LEU 29 6.882 0.590 -1.737 201 HD13 LEU 29 3HD1 LEU 29 5.307 0.908 -2.463 202 HD21 LEU 29 3HD2 LEU 29 6.704 1.799 -4.526 203 HD22 LEU 29 1HD2 LEU 29 8.141 1.430 -3.576 204 HD23 LEU 29 2HD2 LEU 29 7.897 3.058 -4.207 205 H THR 30 H THR 30 5.438 6.626 -2.281 206 HA THR 30 HA THR 30 7.875 6.985 -0.925 207 HB THR 30 HB THR 30 6.962 8.367 -2.853 208 HG1 THR 30 1HG THR 30 8.122 9.602 -0.569 209 HG21 THR 30 3HG2 THR 30 5.581 9.852 -0.617 210 HG22 THR 30 1HG2 THR 30 4.780 8.922 -1.885 211 HG23 THR 30 2HG2 THR 30 5.688 10.377 -2.296 212 H ARG 31 H ARG 31 4.644 7.024 0.197 213 HA ARG 31 HA ARG 31 5.285 8.538 2.610 214 HB2 ARG 31 2HB ARG 31 2.698 7.242 1.720 215 HB3 ARG 31 1HB ARG 31 2.884 8.264 3.138 216 HG2 ARG 31 2HG ARG 31 3.620 9.308 0.440 217 HG3 ARG 31 1HG ARG 31 1.929 9.261 0.942 218 HD2 ARG 31 2HD ARG 31 4.108 10.550 2.569 219 HD3 ARG 31 1HD ARG 31 3.138 11.426 1.385 220 HE ARG 31 HE ARG 31 1.386 10.110 3.115 221 HH11 ARG 31 1HH1 ARG 31 3.766 12.670 3.258 222 HH12 ARG 31 2HH1 ARG 31 2.963 13.526 4.536 223 HH21 ARG 31 1HH2 ARG 31 0.333 11.214 4.793 224 HH22 ARG 31 2HH2 ARG 31 1.006 12.687 5.419 225 H LEU 32 H LEU 32 4.638 5.292 1.504 226 HA LEU 32 HA LEU 32 4.272 4.015 3.976 227 HB2 LEU 32 2HB LEU 32 3.830 3.086 1.660 228 HB3 LEU 32 1HB LEU 32 5.551 2.790 1.532 229 HG LEU 32 HG LEU 32 5.179 1.470 3.779 230 HD11 LEU 32 1HD1 LEU 32 2.878 2.089 4.120 231 HD12 LEU 32 2HD1 LEU 32 2.978 0.356 3.803 232 HD13 LEU 32 3HD1 LEU 32 2.436 1.455 2.535 233 HD21 LEU 32 3HD2 LEU 32 4.411 0.465 1.044 234 HD22 LEU 32 1HD2 LEU 32 4.716 -0.575 2.435 235 HD23 LEU 32 2HD2 LEU 32 6.010 0.430 1.783 236 H LEU 33 H LEU 33 7.173 4.796 2.149 237 HA LEU 33 HA LEU 33 8.983 3.343 3.789 238 HB2 LEU 33 2HB LEU 33 9.468 5.718 1.994 239 HB3 LEU 33 1HB LEU 33 10.722 4.714 2.694 240 HG LEU 33 HG LEU 33 8.612 3.716 0.782 241 HD11 LEU 33 1HD1 LEU 33 10.381 3.685 -0.886 242 HD12 LEU 33 2HD1 LEU 33 11.503 4.406 0.267 243 HD13 LEU 33 3HD1 LEU 33 10.105 5.322 -0.296 244 HD21 LEU 33 3HD2 LEU 33 9.503 2.000 2.284 245 HD22 LEU 33 1HD2 LEU 33 11.142 2.427 1.795 246 HD23 LEU 33 2HD2 LEU 33 10.022 1.742 0.617 247 H GLN 34 H GLN 34 7.306 6.250 4.258 248 HA GLN 34 HA GLN 34 9.245 7.263 6.188 249 HB2 GLN 34 2HB GLN 34 6.598 8.455 5.346 250 HB3 GLN 34 1HB GLN 34 7.841 9.239 6.307 251 HG2 GLN 34 2HG GLN 34 8.022 8.438 3.413 252 HG3 GLN 34 1HG GLN 34 7.916 10.075 4.059 253 HE21 GLN 34 1HE2 GLN 34 9.935 8.751 2.373 254 HE22 GLN 34 2HE2 GLN 34 11.442 8.962 3.196 255 H THR 35 H THR 35 6.414 5.370 6.049 256 HA THR 35 HA THR 35 5.776 5.857 8.869 257 HB THR 35 HB THR 35 3.843 4.150 8.120 258 HG1 THR 35 1HG THR 35 4.484 5.604 5.743 259 HG21 THR 35 3HG2 THR 35 3.931 7.125 7.597 260 HG22 THR 35 1HG2 THR 35 3.434 6.323 9.089 261 HG23 THR 35 2HG2 THR 35 2.459 6.158 7.629 262 H LYS 36 H LYS 36 6.659 3.238 6.637 263 HA LYS 36 HA LYS 36 7.026 1.490 8.980 264 HB2 LYS 36 2HB LYS 36 6.630 0.802 6.067 265 HB3 LYS 36 1HB LYS 36 6.972 -0.380 7.325 266 HG2 LYS 36 2HG LYS 36 4.911 0.208 8.467 267 HG3 LYS 36 1HG LYS 36 4.578 1.444 7.258 268 HD2 LYS 36 2HD LYS 36 4.341 -0.209 5.540 269 HD3 LYS 36 1HD LYS 36 4.870 -1.489 6.633 270 HE2 LYS 36 2HE LYS 36 2.480 -1.594 6.426 271 HE3 LYS 36 1HE LYS 36 2.882 -1.032 8.049 272 HZ1 LYS 36 3HZ LYS 36 2.242 1.152 7.521 273 HZ2 LYS 36 1HZ LYS 36 1.034 0.181 6.835 274 HZ3 LYS 36 2HZ LYS 36 2.236 0.852 5.854 275 H ASN 37 H ASN 37 8.828 3.583 7.656 276 HA ASN 37 HA ASN 37 11.046 3.950 7.464 277 HB2 ASN 37 2HB ASN 37 11.073 2.277 9.446 278 HB3 ASN 37 1HB ASN 37 11.648 1.112 8.261 279 HD21 ASN 37 1HD2 ASN 37 13.496 1.088 9.769 280 HD22 ASN 37 2HD2 ASN 37 14.760 2.252 9.541 281 H TYR 38 H TYR 38 13.116 2.977 6.356 282 HA TYR 38 HA TYR 38 12.282 2.312 3.654 283 HB2 TYR 38 2HB TYR 38 15.015 2.912 4.801 284 HB3 TYR 38 1HB TYR 38 14.666 2.679 3.094 285 HD1 TYR 38 1HD TYR 38 13.452 4.377 1.833 286 HD2 TYR 38 2HD TYR 38 14.424 4.960 5.932 287 HE1 TYR 38 1HE TYR 38 13.011 6.783 1.593 288 HE2 TYR 38 2HE TYR 38 13.980 7.367 5.706 289 HH TYR 38 HH TYR 38 13.835 9.055 4.077 290 H ASP 39 H ASP 39 12.159 0.246 5.825 291 HA ASP 39 HA ASP 39 14.292 -1.593 5.224 292 HB2 ASP 39 2HB ASP 39 13.113 -1.517 7.451 293 HB3 ASP 39 1HB ASP 39 11.708 -2.233 6.660 294 H ILE 40 H ILE 40 14.397 -2.540 3.345 295 HA ILE 40 HA ILE 40 12.327 -2.804 1.490 296 HB ILE 40 HB ILE 40 14.827 -4.491 1.670 297 HG12 ILE 40 2HG1 ILE 40 14.376 -1.907 0.162 298 HG13 ILE 40 1HG1 ILE 40 15.245 -2.024 1.688 299 HG21 ILE 40 1HG2 ILE 40 13.184 -5.412 0.139 300 HG22 ILE 40 2HG2 ILE 40 14.544 -4.738 -0.760 301 HG23 ILE 40 3HG2 ILE 40 13.025 -3.846 -0.659 302 HD11 ILE 40 3HD1 ILE 40 16.037 -3.320 -0.911 303 HD12 ILE 40 1HD1 ILE 40 16.897 -3.482 0.619 304 HD13 ILE 40 2HD1 ILE 40 16.790 -1.910 -0.165 305 H GLY 41 H GLY 41 13.590 -5.113 3.868 306 HA2 GLY 41 2HA GLY 41 12.125 -7.356 3.042 307 HA3 GLY 41 1HA GLY 41 12.725 -7.084 4.669 308 H ALA 42 H ALA 42 11.323 -4.955 5.547 309 HA ALA 42 HA ALA 42 8.827 -6.073 6.218 310 HB1 ALA 42 1HB ALA 42 8.376 -3.975 7.346 311 HB2 ALA 42 2HB ALA 42 9.704 -3.201 6.483 312 HB3 ALA 42 3HB ALA 42 10.039 -4.482 7.647 313 H ALA 43 H ALA 43 9.686 -3.443 3.986 314 HA ALA 43 HA ALA 43 7.079 -2.747 3.231 315 HB1 ALA 43 1HB ALA 43 9.599 -2.550 1.582 316 HB2 ALA 43 2HB ALA 43 9.042 -1.358 2.757 317 HB3 ALA 43 3HB ALA 43 8.097 -1.668 1.302 318 H LEU 44 H LEU 44 9.305 -5.143 1.881 319 HA LEU 44 HA LEU 44 7.626 -5.845 -0.309 320 HB2 LEU 44 2HB LEU 44 10.201 -6.259 0.200 321 HB3 LEU 44 1HB LEU 44 9.589 -7.779 0.818 322 HG LEU 44 HG LEU 44 8.522 -8.176 -1.406 323 HD11 LEU 44 1HD1 LEU 44 9.485 -6.853 -3.304 324 HD12 LEU 44 2HD1 LEU 44 10.054 -5.688 -2.106 325 HD13 LEU 44 3HD1 LEU 44 8.328 -5.991 -2.292 326 HD21 LEU 44 3HD2 LEU 44 11.511 -7.781 -1.452 327 HD22 LEU 44 1HD2 LEU 44 10.575 -8.859 -2.490 328 HD23 LEU 44 2HD2 LEU 44 10.675 -9.173 -0.757 329 H ASP 45 H ASP 45 7.864 -6.886 3.003 330 HA ASP 45 HA ASP 45 6.262 -9.258 2.636 331 HB2 ASP 45 2HB ASP 45 8.000 -9.104 4.396 332 HB3 ASP 45 1HB ASP 45 7.070 -7.832 5.182 333 H THR 46 H THR 46 5.703 -5.931 3.169 334 HA THR 46 HA THR 46 3.336 -5.889 4.629 335 HB THR 46 HB THR 46 4.204 -4.010 2.423 336 HG1 THR 46 1HG THR 46 5.567 -4.394 4.430 337 HG21 THR 46 3HG2 THR 46 2.792 -2.362 3.715 338 HG22 THR 46 1HG2 THR 46 2.113 -3.743 4.578 339 HG23 THR 46 2HG2 THR 46 1.896 -3.598 2.833 340 H ILE 47 H ILE 47 3.836 -6.491 1.182 341 HA ILE 47 HA ILE 47 0.925 -6.826 0.912 342 HB ILE 47 HB ILE 47 1.127 -6.452 -1.462 343 HG12 ILE 47 2HG1 ILE 47 3.544 -7.381 -1.542 344 HG13 ILE 47 1HG1 ILE 47 3.109 -6.083 -2.641 345 HG21 ILE 47 1HG2 ILE 47 2.521 -4.296 0.117 346 HG22 ILE 47 2HG2 ILE 47 0.781 -4.531 -0.006 347 HG23 ILE 47 3HG2 ILE 47 1.712 -4.081 -1.435 348 HD11 ILE 47 3HD1 ILE 47 5.276 -5.640 -1.770 349 HD12 ILE 47 1HD1 ILE 47 4.718 -5.857 -0.112 350 HD13 ILE 47 2HD1 ILE 47 4.157 -4.479 -1.056 351 H GLN 48 H GLN 48 3.274 -8.720 1.672 352 HA GLN 48 HA GLN 48 3.598 -10.960 1.618 353 HB2 GLN 48 2HB GLN 48 0.922 -10.665 0.576 354 HB3 GLN 48 1HB GLN 48 1.734 -12.049 -0.140 355 HG2 GLN 48 2HG GLN 48 1.258 -11.514 2.775 356 HG3 GLN 48 1HG GLN 48 0.548 -12.786 1.787 357 HE21 GLN 48 1HE2 GLN 48 3.315 -11.748 3.569 358 HE22 GLN 48 2HE2 GLN 48 4.204 -13.228 3.462 359 H TYR 49 H TYR 49 3.171 -9.388 -1.489 360 HA TYR 49 HA TYR 49 4.362 -11.446 -3.041 361 HB2 TYR 49 2HB TYR 49 4.070 -8.494 -3.644 362 HB3 TYR 49 1HB TYR 49 4.512 -9.730 -4.816 363 HD1 TYR 49 1HD TYR 49 2.782 -11.758 -4.924 364 HD2 TYR 49 2HD TYR 49 1.864 -7.834 -3.564 365 HE1 TYR 49 1HE TYR 49 0.406 -12.145 -5.417 366 HE2 TYR 49 2HE TYR 49 -0.514 -8.212 -4.055 367 HH TYR 49 HH TYR 49 -2.005 -9.578 -4.967 368 H SER 50 H SER 50 6.157 -11.850 -1.557 369 HA SER 50 HA SER 50 8.387 -9.975 -1.867 370 HB2 SER 50 2HB SER 50 8.332 -12.382 -0.052 371 HB3 SER 50 1HB SER 50 9.372 -10.962 0.056 372 HG SER 50 HG SER 50 7.007 -9.969 0.216 373 H LYS 51 H LYS 51 7.157 -12.626 -3.361 374 HA LYS 51 HA LYS 51 9.829 -13.536 -4.198 375 HB2 LYS 51 2HB LYS 51 7.319 -15.200 -3.959 376 HB3 LYS 51 1HB LYS 51 8.853 -15.771 -4.596 377 HG2 LYS 51 2HG LYS 51 9.877 -15.233 -2.374 378 HG3 LYS 51 1HG LYS 51 8.248 -14.908 -1.781 379 HD2 LYS 51 2HD LYS 51 8.646 -17.128 -1.163 380 HD3 LYS 51 1HD LYS 51 7.675 -17.258 -2.630 381 HE2 LYS 51 2HE LYS 51 10.071 -17.283 -3.768 382 HE3 LYS 51 1HE LYS 51 10.545 -17.889 -2.184 383 HZ1 LYS 51 3HZ LYS 51 8.532 -19.080 -4.010 384 HZ2 LYS 51 1HZ LYS 51 8.828 -19.629 -2.435 385 HZ3 LYS 51 2HZ LYS 51 10.043 -19.724 -3.603 386 H HIS 52 H HIS 52 6.439 -13.747 -5.302 387 HA HIS 52 HA HIS 52 7.154 -12.494 -7.812 388 HB2 HIS 52 2HB HIS 52 7.473 -15.111 -7.896 389 HB3 HIS 52 1HB HIS 52 5.719 -15.118 -8.015 390 HD1 HIS 52 1HD HIS 52 5.159 -12.864 -9.941 391 HD2 HIS 52 2HD HIS 52 8.341 -15.508 -10.424 392 HE1 HIS 52 1HE HIS 52 5.738 -12.796 -12.393 393 HE2 HIS 52 2HE HIS 52 7.757 -14.280 -12.630 394 H1 GLY 1 1HT GLY 1 -18.000 19.281 1.907 395 H2 GLY 1 2HT GLY 1 -16.867 18.343 2.735 396 H3 GLY 1 3HT GLY 1 -17.411 19.797 3.405 397 HA2 GLY 1 1HA GLY 1 -18.420 17.833 4.452 398 HA3 GLY 1 2HA GLY 1 -19.593 18.927 3.731 399 H SER 2 H SER 2 -20.872 16.848 3.883 400 HA SER 2 HA SER 2 -20.328 15.091 1.585 401 HB2 SER 2 2HB SER 2 -22.381 14.387 3.635 402 HB3 SER 2 1HB SER 2 -21.275 13.336 2.748 403 HG SER 2 HG SER 2 -20.933 14.667 5.147 404 HA PRO 3 HA PRO 3 -23.909 17.479 0.116 405 HB2 PRO 3 2HB PRO 3 -23.333 17.324 -2.509 406 HB3 PRO 3 1HB PRO 3 -22.492 18.448 -1.435 407 HG2 PRO 3 2HG PRO 3 -21.593 15.801 -2.493 408 HG3 PRO 3 1HG PRO 3 -20.668 17.295 -2.281 409 HD2 PRO 3 2HD PRO 3 -20.605 15.173 -0.535 410 HD3 PRO 3 1HD PRO 3 -20.212 16.846 -0.090 411 HA PRO 4 HA PRO 4 -26.580 14.061 -0.798 412 HB2 PRO 4 2HB PRO 4 -28.573 15.362 -2.115 413 HB3 PRO 4 1HB PRO 4 -28.350 15.454 -0.364 414 HG2 PRO 4 2HG PRO 4 -27.512 17.392 -2.486 415 HG3 PRO 4 1HG PRO 4 -28.259 17.712 -0.910 416 HD2 PRO 4 2HD PRO 4 -25.607 18.010 -1.332 417 HD3 PRO 4 1HD PRO 4 -26.260 17.464 0.226 418 H GLU 5 H GLU 5 -24.921 15.804 -3.136 419 HA GLU 5 HA GLU 5 -26.021 14.608 -5.490 420 HB2 GLU 5 2HB GLU 5 -23.298 15.874 -5.168 421 HB3 GLU 5 1HB GLU 5 -24.207 15.667 -6.657 422 HG2 GLU 5 2HG GLU 5 -24.815 17.526 -4.373 423 HG3 GLU 5 1HG GLU 5 -24.340 17.952 -6.016 424 H ALA 6 H ALA 6 -23.745 13.722 -3.090 425 HA ALA 6 HA ALA 6 -22.481 11.680 -4.728 426 HB1 ALA 6 1HB ALA 6 -22.099 12.436 -1.830 427 HB2 ALA 6 2HB ALA 6 -21.071 12.897 -3.187 428 HB3 ALA 6 3HB ALA 6 -21.168 11.207 -2.688 429 H ASP 7 H ASP 7 -22.591 9.444 -4.209 430 HA ASP 7 HA ASP 7 -25.196 8.635 -3.290 431 HB2 ASP 7 2HB ASP 7 -24.037 7.603 -5.265 432 HB3 ASP 7 1HB ASP 7 -22.899 6.871 -4.140 433 HA PRO 8 HA PRO 8 -24.010 8.014 0.941 434 HB2 PRO 8 2HB PRO 8 -26.085 6.388 1.658 435 HB3 PRO 8 1HB PRO 8 -26.224 8.143 1.495 436 HG2 PRO 8 2HG PRO 8 -26.966 5.993 -0.454 437 HG3 PRO 8 1HG PRO 8 -27.865 7.456 -0.005 438 HD2 PRO 8 2HD PRO 8 -26.439 7.321 -2.277 439 HD3 PRO 8 1HD PRO 8 -26.547 8.820 -1.333 440 H ARG 9 H ARG 9 -24.444 5.428 -1.336 441 HA ARG 9 HA ARG 9 -23.298 3.471 0.512 442 HB2 ARG 9 2HB ARG 9 -24.283 3.146 -2.332 443 HB3 ARG 9 1HB ARG 9 -23.747 1.842 -1.285 444 HG2 ARG 9 2HG ARG 9 -25.657 1.836 -0.070 445 HG3 ARG 9 1HG ARG 9 -25.899 3.573 -0.246 446 HD2 ARG 9 2HD ARG 9 -26.263 1.624 -2.504 447 HD3 ARG 9 1HD ARG 9 -27.570 2.112 -1.431 448 HE ARG 9 HE ARG 9 -26.053 4.062 -3.045 449 HH11 ARG 9 1HH1 ARG 9 -29.093 2.745 -1.870 450 HH12 ARG 9 2HH1 ARG 9 -30.065 3.912 -2.700 451 HH21 ARG 9 1HH2 ARG 9 -27.325 5.580 -4.144 452 HH22 ARG 9 2HH2 ARG 9 -29.060 5.531 -3.996 453 H LEU 10 H LEU 10 -22.571 5.209 -2.461 454 HA LEU 10 HA LEU 10 -20.148 3.901 -3.068 455 HB2 LEU 10 2HB LEU 10 -21.417 5.313 -4.655 456 HB3 LEU 10 1HB LEU 10 -20.975 6.730 -3.719 457 HG LEU 10 HG LEU 10 -18.549 6.110 -4.206 458 HD11 LEU 10 1HD1 LEU 10 -18.163 4.766 -6.197 459 HD12 LEU 10 2HD1 LEU 10 -19.886 4.407 -6.304 460 HD13 LEU 10 3HD1 LEU 10 -18.944 3.815 -4.935 461 HD21 LEU 10 3HD2 LEU 10 -20.384 6.933 -6.452 462 HD22 LEU 10 1HD2 LEU 10 -18.635 7.156 -6.431 463 HD23 LEU 10 2HD2 LEU 10 -19.643 7.992 -5.251 464 H ILE 11 H ILE 11 -20.856 6.799 -1.148 465 HA ILE 11 HA ILE 11 -18.118 7.417 -0.639 466 HB ILE 11 HB ILE 11 -20.013 9.057 -0.495 467 HG12 ILE 11 2HG1 ILE 11 -18.408 8.919 2.059 468 HG13 ILE 11 1HG1 ILE 11 -17.708 9.380 0.511 469 HG21 ILE 11 1HG2 ILE 11 -21.271 9.181 1.612 470 HG22 ILE 11 2HG2 ILE 11 -20.543 7.658 2.122 471 HG23 ILE 11 3HG2 ILE 11 -21.612 7.698 0.719 472 HD11 ILE 11 3HD1 ILE 11 -19.159 11.297 0.379 473 HD12 ILE 11 1HD1 ILE 11 -18.304 11.304 1.923 474 HD13 ILE 11 2HD1 ILE 11 -19.994 10.804 1.854 475 H GLU 12 H GLU 12 -20.250 5.096 0.619 476 HA GLU 12 HA GLU 12 -19.160 4.893 3.245 477 HB2 GLU 12 2HB GLU 12 -21.047 3.273 1.606 478 HB3 GLU 12 1HB GLU 12 -20.302 2.524 3.014 479 HG2 GLU 12 2HG GLU 12 -21.925 5.059 3.009 480 HG3 GLU 12 1HG GLU 12 -22.464 3.475 3.558 481 H SER 13 H SER 13 -18.011 3.959 0.208 482 HA SER 13 HA SER 13 -16.717 1.556 0.703 483 HB2 SER 13 2HB SER 13 -15.604 3.831 -0.956 484 HB3 SER 13 1HB SER 13 -15.261 2.111 -1.140 485 HG SER 13 HG SER 13 -17.493 3.582 -1.923 486 H LEU 14 H LEU 14 -15.883 4.804 1.691 487 HA LEU 14 HA LEU 14 -13.218 4.218 2.528 488 HB2 LEU 14 2HB LEU 14 -15.103 6.480 3.201 489 HB3 LEU 14 1HB LEU 14 -13.440 6.404 3.751 490 HG LEU 14 HG LEU 14 -14.037 6.256 0.820 491 HD11 LEU 14 1HD1 LEU 14 -13.808 8.706 0.712 492 HD12 LEU 14 2HD1 LEU 14 -13.861 8.769 2.474 493 HD13 LEU 14 3HD1 LEU 14 -15.264 8.202 1.569 494 HD21 LEU 14 3HD2 LEU 14 -11.768 5.786 1.547 495 HD22 LEU 14 1HD2 LEU 14 -11.724 7.296 2.457 496 HD23 LEU 14 2HD2 LEU 14 -11.816 7.330 0.698 497 H SER 15 H SER 15 -16.358 4.380 4.121 498 HA SER 15 HA SER 15 -15.389 3.910 6.754 499 HB2 SER 15 2HB SER 15 -18.168 3.126 6.162 500 HB3 SER 15 1HB SER 15 -17.548 4.268 7.355 501 HG SER 15 HG SER 15 -18.834 5.065 5.419 502 H GLN 16 H GLN 16 -16.563 1.889 4.142 503 HA GLN 16 HA GLN 16 -16.880 -0.528 5.521 504 HB2 GLN 16 2HB GLN 16 -17.629 -0.028 3.180 505 HB3 GLN 16 1HB GLN 16 -15.958 -0.193 2.665 506 HG2 GLN 16 2HG GLN 16 -17.050 -2.235 2.179 507 HG3 GLN 16 1HG GLN 16 -16.003 -2.527 3.566 508 HE21 GLN 16 1HE2 GLN 16 -16.906 -3.020 5.542 509 HE22 GLN 16 2HE2 GLN 16 -18.590 -3.367 5.742 510 H MET 17 H MET 17 -14.056 0.846 3.876 511 HA MET 17 HA MET 17 -12.323 -1.336 4.326 512 HB2 MET 17 2HB MET 17 -11.608 1.585 3.996 513 HB3 MET 17 1HB MET 17 -10.496 0.234 3.838 514 HG2 MET 17 2HG MET 17 -12.848 0.845 2.068 515 HG3 MET 17 1HG MET 17 -11.143 1.027 1.667 516 HE1 MET 17 3HE MET 17 -9.615 -0.800 0.849 517 HE2 MET 17 1HE MET 17 -9.887 -2.528 1.068 518 HE3 MET 17 2HE MET 17 -9.616 -1.494 2.470 519 H LEU 18 H LEU 18 -13.092 1.523 6.220 520 HA LEU 18 HA LEU 18 -11.106 1.223 8.193 521 HB2 LEU 18 2HB LEU 18 -12.448 3.277 7.815 522 HB3 LEU 18 1HB LEU 18 -13.855 2.451 8.455 523 HG LEU 18 HG LEU 18 -12.668 2.218 10.636 524 HD11 LEU 18 1HD1 LEU 18 -10.642 4.006 9.300 525 HD12 LEU 18 2HD1 LEU 18 -10.378 2.356 9.865 526 HD13 LEU 18 3HD1 LEU 18 -10.701 3.644 11.025 527 HD21 LEU 18 3HD2 LEU 18 -14.267 4.030 10.195 528 HD22 LEU 18 1HD2 LEU 18 -12.940 5.046 9.636 529 HD23 LEU 18 2HD2 LEU 18 -12.995 4.513 11.316 530 H SER 19 H SER 19 -14.469 0.093 8.030 531 HA SER 19 HA SER 19 -14.427 -1.176 10.574 532 HB2 SER 19 2HB SER 19 -16.499 -0.434 9.357 533 HB3 SER 19 1HB SER 19 -16.260 -1.779 8.243 534 HG SER 19 HG SER 19 -16.265 -3.120 10.237 535 H MET 20 H MET 20 -13.244 -2.043 7.482 536 HA MET 20 HA MET 20 -13.271 -4.883 7.948 537 HB2 MET 20 2HB MET 20 -13.369 -3.682 5.671 538 HB3 MET 20 1HB MET 20 -11.636 -3.463 5.855 539 HG2 MET 20 2HG MET 20 -11.220 -5.767 5.755 540 HG3 MET 20 1HG MET 20 -12.912 -6.171 6.037 541 HE1 MET 20 3HE MET 20 -14.275 -3.953 3.811 542 HE2 MET 20 1HE MET 20 -14.799 -5.510 4.451 543 HE3 MET 20 2HE MET 20 -14.632 -5.281 2.710 544 H GLY 21 H GLY 21 -11.367 -2.306 8.945 545 HA2 GLY 21 2HA GLY 21 -9.662 -2.612 10.583 546 HA3 GLY 21 1HA GLY 21 -9.300 -4.174 9.865 547 H PHE 22 H PHE 22 -9.762 -1.753 7.544 548 HA PHE 22 HA PHE 22 -6.871 -1.663 7.078 549 HB2 PHE 22 2HB PHE 22 -8.867 -2.212 5.344 550 HB3 PHE 22 1HB PHE 22 -8.740 -0.473 5.106 551 HD1 PHE 22 2HD PHE 22 -5.836 -0.066 5.401 552 HD2 PHE 22 1HD PHE 22 -8.002 -3.140 3.409 553 HE1 PHE 22 2HE PHE 22 -3.930 -0.429 3.888 554 HE2 PHE 22 1HE PHE 22 -6.098 -3.506 1.897 555 HZ PHE 22 HZ PHE 22 -4.058 -2.146 2.138 556 H SER 23 H SER 23 -5.754 0.090 7.570 557 HA SER 23 HA SER 23 -6.939 2.730 7.341 558 HB2 SER 23 2HB SER 23 -5.712 1.804 9.955 559 HB3 SER 23 1HB SER 23 -6.358 3.409 9.610 560 HG SER 23 HG SER 23 -8.296 1.785 9.021 561 H ASP 24 H ASP 24 -5.387 4.390 7.136 562 HA ASP 24 HA ASP 24 -2.662 3.380 6.687 563 HB2 ASP 24 2HB ASP 24 -2.451 5.465 5.214 564 HB3 ASP 24 1HB ASP 24 -3.417 4.132 4.604 565 H GLU 25 H GLU 25 -0.947 4.346 7.619 566 HA GLU 25 HA GLU 25 -1.506 6.177 9.804 567 HB2 GLU 25 2HB GLU 25 1.292 5.408 9.186 568 HB3 GLU 25 1HB GLU 25 0.458 5.474 10.731 569 HG2 GLU 25 2HG GLU 25 0.739 3.231 10.545 570 HG3 GLU 25 1HG GLU 25 -0.822 3.399 9.747 571 H GLY 26 H GLY 26 -0.260 6.290 6.598 572 HA2 GLY 26 2HA GLY 26 0.532 9.098 7.048 573 HA3 GLY 26 1HA GLY 26 1.407 8.039 5.952 574 H GLY 27 H GLY 27 -2.034 7.783 6.091 575 HA2 GLY 27 2HA GLY 27 -3.677 8.267 4.562 576 HA3 GLY 27 1HA GLY 27 -2.769 9.728 4.208 577 H TRP 28 H TRP 28 -1.842 6.339 3.737 578 HA TRP 28 HA TRP 28 -1.276 6.981 0.952 579 HB2 TRP 28 2HB TRP 28 0.153 5.063 0.900 580 HB3 TRP 28 1HB TRP 28 0.500 5.940 2.377 581 HD1 TRP 28 HD TRP 28 0.095 4.699 4.658 582 HE1 TRP 28 1HE TRP 28 -0.442 2.255 5.266 583 HE3 TRP 28 3HE TRP 28 -1.218 2.986 0.032 584 HZ2 TRP 28 2HZ TRP 28 -1.295 -0.102 3.942 585 HZ3 TRP 28 3HZ TRP 28 -1.877 0.630 -0.215 586 HH2 TRP 28 HH TRP 28 -1.919 -0.879 1.698 587 H LEU 29 H LEU 29 -3.448 5.104 2.900 588 HA LEU 29 HA LEU 29 -4.323 3.367 0.788 589 HB2 LEU 29 2HB LEU 29 -4.634 2.552 2.992 590 HB3 LEU 29 1HB LEU 29 -5.403 4.039 3.516 591 HG LEU 29 HG LEU 29 -7.290 3.441 1.885 592 HD11 LEU 29 1HD1 LEU 29 -6.076 1.726 0.631 593 HD12 LEU 29 2HD1 LEU 29 -7.539 1.073 1.370 594 HD13 LEU 29 3HD1 LEU 29 -5.964 0.738 2.088 595 HD21 LEU 29 3HD2 LEU 29 -6.804 1.690 4.294 596 HD22 LEU 29 1HD2 LEU 29 -8.363 1.987 3.527 597 HD23 LEU 29 2HD2 LEU 29 -7.502 3.310 4.316 598 H THR 30 H THR 30 -5.356 6.398 2.217 599 HA THR 30 HA THR 30 -7.781 6.694 0.849 600 HB THR 30 HB THR 30 -6.432 8.148 2.741 601 HG1 THR 30 1HG THR 30 -8.735 8.007 2.332 602 HG21 THR 30 3HG2 THR 30 -6.536 9.858 0.250 603 HG22 THR 30 1HG2 THR 30 -5.076 9.329 1.089 604 HG23 THR 30 2HG2 THR 30 -6.195 10.437 1.881 605 H ARG 31 H ARG 31 -4.493 7.111 -0.181 606 HA ARG 31 HA ARG 31 -5.164 8.571 -2.591 607 HB2 ARG 31 2HB ARG 31 -2.567 7.252 -1.765 608 HB3 ARG 31 1HB ARG 31 -2.775 8.369 -3.108 609 HG2 ARG 31 2HG ARG 31 -3.544 9.256 -0.374 610 HG3 ARG 31 1HG ARG 31 -1.834 9.181 -0.805 611 HD2 ARG 31 2HD ARG 31 -3.771 10.536 -2.630 612 HD3 ARG 31 1HD ARG 31 -3.188 11.378 -1.195 613 HE ARG 31 HE ARG 31 -1.415 10.327 -3.316 614 HH11 ARG 31 1HH1 ARG 31 -2.311 12.832 -1.031 615 HH12 ARG 31 2HH1 ARG 31 -0.899 13.786 -1.338 616 HH21 ARG 31 1HH2 ARG 31 0.426 11.570 -3.731 617 HH22 ARG 31 2HH2 ARG 31 0.674 13.069 -2.892 618 H LEU 32 H LEU 32 -4.400 5.307 -1.591 619 HA LEU 32 HA LEU 32 -4.046 4.103 -4.096 620 HB2 LEU 32 2HB LEU 32 -3.582 3.160 -1.773 621 HB3 LEU 32 1HB LEU 32 -5.292 2.787 -1.688 622 HG LEU 32 HG LEU 32 -4.697 1.585 -4.017 623 HD11 LEU 32 1HD1 LEU 32 -2.353 2.159 -3.966 624 HD12 LEU 32 2HD1 LEU 32 -2.545 0.420 -3.746 625 HD13 LEU 32 3HD1 LEU 32 -2.185 1.448 -2.360 626 HD21 LEU 32 3HD2 LEU 32 -4.564 -0.506 -2.749 627 HD22 LEU 32 1HD2 LEU 32 -5.832 0.554 -2.130 628 HD23 LEU 32 2HD2 LEU 32 -4.302 0.415 -1.267 629 H LEU 33 H LEU 33 -6.936 4.835 -2.241 630 HA LEU 33 HA LEU 33 -8.732 3.344 -3.879 631 HB2 LEU 33 2HB LEU 33 -9.204 5.578 -1.908 632 HB3 LEU 33 1HB LEU 33 -10.486 4.670 -2.689 633 HG LEU 33 HG LEU 33 -8.376 3.419 -0.935 634 HD11 LEU 33 1HD1 LEU 33 -10.126 3.314 0.780 635 HD12 LEU 33 2HD1 LEU 33 -11.184 4.270 -0.259 636 HD13 LEU 33 3HD1 LEU 33 -9.695 4.973 0.370 637 HD21 LEU 33 3HD2 LEU 33 -9.421 1.901 -2.548 638 HD22 LEU 33 1HD2 LEU 33 -11.014 2.373 -1.955 639 HD23 LEU 33 2HD2 LEU 33 -9.895 1.519 -0.893 640 H GLN 34 H GLN 34 -7.055 6.176 -4.474 641 HA GLN 34 HA GLN 34 -9.153 7.292 -6.176 642 HB2 GLN 34 2HB GLN 34 -6.371 8.385 -5.722 643 HB3 GLN 34 1HB GLN 34 -7.732 9.219 -6.452 644 HG2 GLN 34 2HG GLN 34 -7.398 8.419 -3.578 645 HG3 GLN 34 1HG GLN 34 -7.451 10.050 -4.241 646 HE21 GLN 34 1HE2 GLN 34 -9.074 8.614 -2.213 647 HE22 GLN 34 2HE2 GLN 34 -10.723 8.802 -2.720 648 H THR 35 H THR 35 -5.843 6.034 -6.375 649 HA THR 35 HA THR 35 -5.763 6.203 -9.238 650 HB THR 35 HB THR 35 -3.651 4.716 -8.832 651 HG1 THR 35 1HG THR 35 -2.994 4.546 -6.765 652 HG21 THR 35 3HG2 THR 35 -3.964 7.565 -7.890 653 HG22 THR 35 1HG2 THR 35 -3.422 7.003 -9.473 654 HG23 THR 35 2HG2 THR 35 -2.398 6.772 -8.054 655 H LYS 36 H LYS 36 -6.261 3.602 -6.879 656 HA LYS 36 HA LYS 36 -6.664 1.728 -9.102 657 HB2 LYS 36 2HB LYS 36 -6.616 0.937 -6.207 658 HB3 LYS 36 1HB LYS 36 -6.183 -0.016 -7.622 659 HG2 LYS 36 2HG LYS 36 -4.265 1.718 -7.884 660 HG3 LYS 36 1HG LYS 36 -4.594 2.072 -6.189 661 HD2 LYS 36 2HD LYS 36 -3.076 0.429 -5.858 662 HD3 LYS 36 1HD LYS 36 -4.486 -0.609 -6.083 663 HE2 LYS 36 2HE LYS 36 -2.754 -1.478 -7.456 664 HE3 LYS 36 1HE LYS 36 -3.921 -0.695 -8.521 665 HZ1 LYS 36 3HZ LYS 36 -2.086 0.252 -9.360 666 HZ2 LYS 36 1HZ LYS 36 -1.164 -0.006 -7.966 667 HZ3 LYS 36 2HZ LYS 36 -2.218 1.319 -8.047 668 H ASN 37 H ASN 37 -8.487 3.850 -7.670 669 HA ASN 37 HA ASN 37 -10.714 4.183 -7.485 670 HB2 ASN 37 2HB ASN 37 -10.671 2.523 -9.515 671 HB3 ASN 37 1HB ASN 37 -11.348 1.385 -8.354 672 HD21 ASN 37 1HD2 ASN 37 -11.888 4.334 -10.123 673 HD22 ASN 37 2HD2 ASN 37 -13.594 4.415 -9.842 674 H TYR 38 H TYR 38 -12.795 3.004 -6.476 675 HA TYR 38 HA TYR 38 -11.938 2.266 -3.785 676 HB2 TYR 38 2HB TYR 38 -14.587 3.131 -4.949 677 HB3 TYR 38 1HB TYR 38 -14.400 2.613 -3.280 678 HD1 TYR 38 2HD TYR 38 -13.569 5.227 -5.727 679 HD2 TYR 38 1HD TYR 38 -13.374 4.041 -1.648 680 HE1 TYR 38 2HE TYR 38 -12.968 7.526 -5.091 681 HE2 TYR 38 1HE TYR 38 -12.778 6.335 -0.998 682 HH TYR 38 HH TYR 38 -13.222 8.953 -2.933 683 H ASP 39 H ASP 39 -11.667 0.266 -5.846 684 HA ASP 39 HA ASP 39 -13.891 -1.560 -5.444 685 HB2 ASP 39 2HB ASP 39 -12.657 -1.338 -7.655 686 HB3 ASP 39 1HB ASP 39 -11.295 -2.144 -6.880 687 H ILE 40 H ILE 40 -13.979 -2.495 -3.532 688 HA ILE 40 HA ILE 40 -11.912 -2.856 -1.710 689 HB ILE 40 HB ILE 40 -14.440 -4.492 -1.935 690 HG12 ILE 40 2HG1 ILE 40 -13.955 -1.996 -0.303 691 HG13 ILE 40 1HG1 ILE 40 -14.736 -1.985 -1.879 692 HG21 ILE 40 1HG2 ILE 40 -12.905 -5.536 -0.421 693 HG22 ILE 40 2HG2 ILE 40 -14.156 -4.731 0.526 694 HG23 ILE 40 3HG2 ILE 40 -12.563 -3.993 0.366 695 HD11 ILE 40 3HD1 ILE 40 -15.733 -3.431 0.564 696 HD12 ILE 40 1HD1 ILE 40 -16.523 -3.385 -1.011 697 HD13 ILE 40 2HD1 ILE 40 -16.357 -1.905 -0.066 698 H GLY 41 H GLY 41 -13.267 -5.178 -4.029 699 HA2 GLY 41 2HA GLY 41 -11.797 -7.428 -3.268 700 HA3 GLY 41 1HA GLY 41 -12.437 -7.143 -4.880 701 H ALA 42 H ALA 42 -11.043 -5.077 -5.836 702 HA ALA 42 HA ALA 42 -8.562 -6.225 -6.531 703 HB1 ALA 42 1HB ALA 42 -8.119 -4.130 -7.692 704 HB2 ALA 42 2HB ALA 42 -9.457 -3.361 -6.841 705 HB3 ALA 42 3HB ALA 42 -9.774 -4.665 -7.984 706 H ALA 43 H ALA 43 -9.450 -3.720 -4.214 707 HA ALA 43 HA ALA 43 -6.871 -2.848 -3.536 708 HB1 ALA 43 1HB ALA 43 -9.364 -2.914 -1.839 709 HB2 ALA 43 2HB ALA 43 -8.854 -1.604 -2.903 710 HB3 ALA 43 3HB ALA 43 -7.903 -1.999 -1.470 711 H LEU 44 H LEU 44 -8.891 -5.380 -2.067 712 HA LEU 44 HA LEU 44 -7.068 -6.075 -0.026 713 HB2 LEU 44 2HB LEU 44 -9.591 -7.032 -1.033 714 HB3 LEU 44 1HB LEU 44 -8.529 -8.380 -0.677 715 HG LEU 44 HG LEU 44 -8.212 -7.466 1.615 716 HD11 LEU 44 1HD1 LEU 44 -9.826 -5.784 2.415 717 HD12 LEU 44 2HD1 LEU 44 -10.353 -5.531 0.751 718 HD13 LEU 44 3HD1 LEU 44 -8.701 -5.136 1.218 719 HD21 LEU 44 3HD2 LEU 44 -9.843 -9.230 1.143 720 HD22 LEU 44 1HD2 LEU 44 -11.071 -8.005 0.828 721 HD23 LEU 44 2HD2 LEU 44 -10.384 -8.169 2.443 722 H ASP 45 H ASP 45 -7.571 -7.348 -3.287 723 HA ASP 45 HA ASP 45 -5.723 -9.478 -3.100 724 HB2 ASP 45 2HB ASP 45 -7.447 -9.336 -4.860 725 HB3 ASP 45 1HB ASP 45 -6.599 -7.964 -5.571 726 H THR 46 H THR 46 -5.341 -6.085 -3.714 727 HA THR 46 HA THR 46 -2.849 -6.056 -4.978 728 HB THR 46 HB THR 46 -4.011 -4.003 -3.082 729 HG1 THR 46 1HG THR 46 -5.347 -4.347 -4.887 730 HG21 THR 46 3HG2 THR 46 -2.531 -2.411 -4.235 731 HG22 THR 46 1HG2 THR 46 -1.819 -3.743 -5.144 732 HG23 THR 46 2HG2 THR 46 -1.614 -3.664 -3.394 733 H ILE 47 H ILE 47 -3.672 -6.246 -1.532 734 HA ILE 47 HA ILE 47 -0.809 -6.347 -0.909 735 HB ILE 47 HB ILE 47 -1.374 -6.012 1.409 736 HG12 ILE 47 2HG1 ILE 47 -4.289 -5.793 0.676 737 HG13 ILE 47 1HG1 ILE 47 -3.582 -7.322 1.194 738 HG21 ILE 47 1HG2 ILE 47 -1.180 -4.035 -0.038 739 HG22 ILE 47 2HG2 ILE 47 -2.305 -3.770 1.294 740 HG23 ILE 47 3HG2 ILE 47 -2.918 -4.088 -0.328 741 HD11 ILE 47 3HD1 ILE 47 -3.733 -4.769 2.771 742 HD12 ILE 47 1HD1 ILE 47 -2.860 -6.212 3.285 743 HD13 ILE 47 2HD1 ILE 47 -4.612 -6.270 3.070 744 H GLN 48 H GLN 48 -3.050 -8.407 -1.829 745 HA GLN 48 HA GLN 48 -3.231 -10.657 -1.866 746 HB2 GLN 48 2HB GLN 48 -0.578 -10.296 -1.158 747 HB3 GLN 48 1HB GLN 48 -1.192 -11.383 0.082 748 HG2 GLN 48 2HG GLN 48 -1.469 -11.856 -2.880 749 HG3 GLN 48 1HG GLN 48 -0.182 -12.524 -1.877 750 HE21 GLN 48 1HE2 GLN 48 -2.252 -13.860 -3.446 751 HE22 GLN 48 2HE2 GLN 48 -3.111 -14.876 -2.341 752 H TYR 49 H TYR 49 -2.449 -9.561 1.440 753 HA TYR 49 HA TYR 49 -3.785 -11.538 2.862 754 HB2 TYR 49 2HB TYR 49 -3.541 -8.617 3.614 755 HB3 TYR 49 1HB TYR 49 -3.909 -9.936 4.716 756 HD1 TYR 49 1HD TYR 49 -2.137 -11.707 5.117 757 HD2 TYR 49 2HD TYR 49 -1.321 -8.052 3.097 758 HE1 TYR 49 1HE TYR 49 0.266 -12.012 5.542 759 HE2 TYR 49 2HE TYR 49 1.081 -8.354 3.513 760 HH TYR 49 HH TYR 49 2.588 -9.499 4.820 761 H SER 50 H SER 50 -5.775 -12.163 2.217 762 HA SER 50 HA SER 50 -7.885 -10.099 2.173 763 HB2 SER 50 2HB SER 50 -8.064 -12.792 0.821 764 HB3 SER 50 1HB SER 50 -9.061 -11.365 0.544 765 HG SER 50 HG SER 50 -6.290 -11.218 0.103 766 H LYS 51 H LYS 51 -6.942 -13.291 3.272 767 HA LYS 51 HA LYS 51 -9.436 -13.589 4.754 768 HB2 LYS 51 2HB LYS 51 -7.113 -15.506 4.482 769 HB3 LYS 51 1HB LYS 51 -8.666 -15.859 5.230 770 HG2 LYS 51 2HG LYS 51 -9.798 -15.690 3.138 771 HG3 LYS 51 1HG LYS 51 -8.352 -15.064 2.343 772 HD2 LYS 51 2HD LYS 51 -8.604 -17.381 1.763 773 HD3 LYS 51 1HD LYS 51 -7.215 -17.219 2.836 774 HE2 LYS 51 2HE LYS 51 -8.528 -17.994 4.713 775 HE3 LYS 51 1HE LYS 51 -9.978 -18.043 3.715 776 HZ1 LYS 51 3HZ LYS 51 -7.557 -19.687 3.250 777 HZ2 LYS 51 1HZ LYS 51 -9.014 -19.787 2.400 778 HZ3 LYS 51 2HZ LYS 51 -8.950 -20.232 4.030 779 H HIS 52 H HIS 52 -6.023 -14.212 5.544 780 HA HIS 52 HA HIS 52 -6.041 -12.432 7.782 781 HB2 HIS 52 2HB HIS 52 -7.316 -14.282 8.776 782 HB3 HIS 52 1HB HIS 52 -6.050 -15.413 8.321 783 HD1 HIS 52 1HD HIS 52 -5.053 -16.129 10.472 784 HD2 HIS 52 2HD HIS 52 -5.610 -12.010 10.304 785 HE1 HIS 52 1HE HIS 52 -3.998 -15.215 12.563 786 HE2 HIS 52 2HE HIS 52 -4.213 -12.720 12.363 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 18.908 20.206 -2.570 2 H2 GLY 1 2HT GLY 1 17.781 18.967 -2.781 3 H3 GLY 1 3HT GLY 1 18.234 19.927 -4.096 4 HA2 GLY 1 1HA GLY 1 19.337 17.832 -4.289 5 HA3 GLY 1 2HA GLY 1 20.517 19.081 -3.911 6 H SER 2 H SER 2 20.811 16.269 -3.436 7 HA SER 2 HA SER 2 20.439 15.876 -0.598 8 HB2 SER 2 2HB SER 2 21.971 14.072 -2.463 9 HB3 SER 2 1HB SER 2 21.115 13.641 -0.981 10 HG SER 2 HG SER 2 20.148 13.399 -3.327 11 HA PRO 3 HA PRO 3 24.435 17.816 0.171 12 HB2 PRO 3 2HB PRO 3 23.841 17.135 2.968 13 HB3 PRO 3 1HB PRO 3 24.116 18.717 2.236 14 HG2 PRO 3 2HG PRO 3 21.684 17.947 3.073 15 HG3 PRO 3 1HG PRO 3 21.905 18.979 1.649 16 HD2 PRO 3 2HD PRO 3 21.343 16.040 1.792 17 HD3 PRO 3 1HD PRO 3 20.674 17.266 0.692 18 HA PRO 4 HA PRO 4 27.202 14.398 0.661 19 HB2 PRO 4 2HB PRO 4 28.906 16.037 2.426 20 HB3 PRO 4 1HB PRO 4 29.267 15.341 0.841 21 HG2 PRO 4 2HG PRO 4 28.896 17.976 1.163 22 HG3 PRO 4 1HG PRO 4 28.352 17.134 -0.298 23 HD2 PRO 4 2HD PRO 4 26.767 18.032 2.075 24 HD3 PRO 4 1HD PRO 4 26.358 18.113 0.348 25 H GLU 5 H GLU 5 25.571 15.713 3.284 26 HA GLU 5 HA GLU 5 26.763 14.112 5.358 27 HB2 GLU 5 2HB GLU 5 24.127 15.593 5.398 28 HB3 GLU 5 1HB GLU 5 25.005 14.981 6.792 29 HG2 GLU 5 2HG GLU 5 25.730 17.271 5.001 30 HG3 GLU 5 1HG GLU 5 25.411 17.288 6.733 31 H ALA 6 H ALA 6 24.333 13.707 2.979 32 HA ALA 6 HA ALA 6 22.873 11.633 4.332 33 HB1 ALA 6 1HB ALA 6 22.859 12.483 1.436 34 HB2 ALA 6 2HB ALA 6 21.761 13.051 2.695 35 HB3 ALA 6 3HB ALA 6 21.719 11.365 2.184 36 H ASP 7 H ASP 7 23.218 9.484 4.250 37 HA ASP 7 HA ASP 7 25.700 8.503 3.264 38 HB2 ASP 7 2HB ASP 7 24.569 7.555 5.259 39 HB3 ASP 7 1HB ASP 7 23.297 6.929 4.217 40 HA PRO 8 HA PRO 8 24.508 7.940 -0.973 41 HB2 PRO 8 2HB PRO 8 26.566 6.253 -1.651 42 HB3 PRO 8 1HB PRO 8 26.722 8.012 -1.536 43 HG2 PRO 8 2HG PRO 8 27.405 5.903 0.488 44 HG3 PRO 8 1HG PRO 8 28.346 7.327 -0.006 45 HD2 PRO 8 2HD PRO 8 26.937 7.355 2.250 46 HD3 PRO 8 1HD PRO 8 27.002 8.794 1.210 47 H ARG 9 H ARG 9 24.886 5.278 1.272 48 HA ARG 9 HA ARG 9 23.731 3.402 -0.655 49 HB2 ARG 9 2HB ARG 9 24.711 2.963 2.171 50 HB3 ARG 9 1HB ARG 9 24.153 1.702 1.080 51 HG2 ARG 9 2HG ARG 9 26.049 1.762 -0.187 52 HG3 ARG 9 1HG ARG 9 26.357 3.467 0.162 53 HD2 ARG 9 2HD ARG 9 26.671 1.214 2.149 54 HD3 ARG 9 1HD ARG 9 27.991 1.920 1.213 55 HE ARG 9 HE ARG 9 26.402 3.722 2.881 56 HH11 ARG 9 1HH1 ARG 9 29.380 1.919 2.426 57 HH12 ARG 9 2HH1 ARG 9 30.245 2.818 3.632 58 HH21 ARG 9 1HH2 ARG 9 27.550 4.912 4.448 59 HH22 ARG 9 2HH2 ARG 9 29.220 4.515 4.774 60 H LEU 10 H LEU 10 23.001 4.931 2.450 61 HA LEU 10 HA LEU 10 20.592 3.593 2.967 62 HB2 LEU 10 2HB LEU 10 21.830 5.003 4.595 63 HB3 LEU 10 1HB LEU 10 21.298 6.428 3.723 64 HG LEU 10 HG LEU 10 18.950 5.867 4.258 65 HD11 LEU 10 1HD1 LEU 10 18.478 4.146 5.938 66 HD12 LEU 10 2HD1 LEU 10 20.168 3.645 5.894 67 HD13 LEU 10 3HD1 LEU 10 19.153 3.454 4.464 68 HD21 LEU 10 3HD2 LEU 10 20.763 6.007 6.667 69 HD22 LEU 10 1HD2 LEU 10 19.055 6.442 6.624 70 HD23 LEU 10 2HD2 LEU 10 20.228 7.379 5.699 71 H ILE 11 H ILE 11 21.216 6.561 1.117 72 HA ILE 11 HA ILE 11 18.464 7.112 0.651 73 HB ILE 11 HB ILE 11 20.280 8.805 0.507 74 HG12 ILE 11 2HG1 ILE 11 18.681 8.577 -2.051 75 HG13 ILE 11 1HG1 ILE 11 18.016 9.126 -0.514 76 HG21 ILE 11 1HG2 ILE 11 21.570 8.978 -1.586 77 HG22 ILE 11 2HG2 ILE 11 20.930 7.413 -2.083 78 HG23 ILE 11 3HG2 ILE 11 21.963 7.530 -0.658 79 HD11 ILE 11 3HD1 ILE 11 19.552 11.012 -0.519 80 HD12 ILE 11 1HD1 ILE 11 18.575 10.986 -1.986 81 HD13 ILE 11 2HD1 ILE 11 20.251 10.445 -2.036 82 H GLU 12 H GLU 12 20.737 4.981 -0.831 83 HA GLU 12 HA GLU 12 19.510 4.762 -3.377 84 HB2 GLU 12 2HB GLU 12 21.461 3.048 -1.873 85 HB3 GLU 12 1HB GLU 12 20.807 2.539 -3.425 86 HG2 GLU 12 2HG GLU 12 22.115 5.207 -3.070 87 HG3 GLU 12 1HG GLU 12 23.050 3.750 -3.395 88 H SER 13 H SER 13 18.509 3.687 -0.337 89 HA SER 13 HA SER 13 17.332 1.227 -0.880 90 HB2 SER 13 2HB SER 13 16.166 3.366 0.915 91 HB3 SER 13 1HB SER 13 15.928 1.622 1.040 92 HG SER 13 HG SER 13 18.085 3.187 1.817 93 H LEU 14 H LEU 14 16.265 4.476 -1.639 94 HA LEU 14 HA LEU 14 13.629 3.746 -2.462 95 HB2 LEU 14 2HB LEU 14 15.351 6.177 -2.915 96 HB3 LEU 14 1HB LEU 14 13.779 6.012 -3.671 97 HG LEU 14 HG LEU 14 12.908 5.652 -1.251 98 HD11 LEU 14 1HD1 LEU 14 14.198 6.797 0.464 99 HD12 LEU 14 2HD1 LEU 14 15.497 7.089 -0.690 100 HD13 LEU 14 3HD1 LEU 14 15.106 5.439 -0.202 101 HD21 LEU 14 3HD2 LEU 14 13.871 8.352 -2.187 102 HD22 LEU 14 1HD2 LEU 14 12.623 8.063 -0.974 103 HD23 LEU 14 2HD2 LEU 14 12.356 7.572 -2.645 104 H SER 15 H SER 15 16.696 4.360 -4.121 105 HA SER 15 HA SER 15 15.801 3.946 -6.748 106 HB2 SER 15 2HB SER 15 18.577 3.150 -6.042 107 HB3 SER 15 1HB SER 15 18.002 4.218 -7.322 108 HG SER 15 HG SER 15 19.174 5.143 -5.377 109 H GLN 16 H GLN 16 17.006 1.755 -4.278 110 HA GLN 16 HA GLN 16 17.262 -0.550 -5.853 111 HB2 GLN 16 2HB GLN 16 18.127 -0.201 -3.502 112 HB3 GLN 16 1HB GLN 16 16.489 -0.493 -2.934 113 HG2 GLN 16 2HG GLN 16 17.902 -2.482 -2.766 114 HG3 GLN 16 1HG GLN 16 16.533 -2.730 -3.850 115 HE21 GLN 16 1HE2 GLN 16 16.896 -3.052 -6.022 116 HE22 GLN 16 2HE2 GLN 16 18.471 -3.324 -6.681 117 H MET 17 H MET 17 14.532 0.706 -3.972 118 HA MET 17 HA MET 17 12.769 -1.435 -4.481 119 HB2 MET 17 2HB MET 17 12.202 1.470 -3.852 120 HB3 MET 17 1HB MET 17 10.965 0.227 -3.931 121 HG2 MET 17 2HG MET 17 13.231 0.441 -1.973 122 HG3 MET 17 1HG MET 17 11.502 0.554 -1.649 123 HE1 MET 17 3HE MET 17 9.863 -1.465 -1.539 124 HE2 MET 17 1HE MET 17 10.275 -3.102 -2.038 125 HE3 MET 17 2HE MET 17 10.199 -1.809 -3.236 126 H LEU 18 H LEU 18 13.396 1.603 -6.163 127 HA LEU 18 HA LEU 18 11.402 1.391 -8.122 128 HB2 LEU 18 2HB LEU 18 12.616 3.455 -7.725 129 HB3 LEU 18 1HB LEU 18 14.117 2.704 -8.231 130 HG LEU 18 HG LEU 18 13.038 2.390 -10.513 131 HD11 LEU 18 1HD1 LEU 18 11.081 4.380 -9.376 132 HD12 LEU 18 2HD1 LEU 18 10.720 2.716 -9.834 133 HD13 LEU 18 3HD1 LEU 18 11.195 3.887 -11.065 134 HD21 LEU 18 3HD2 LEU 18 14.740 4.076 -10.066 135 HD22 LEU 18 1HD2 LEU 18 13.496 5.194 -9.508 136 HD23 LEU 18 2HD2 LEU 18 13.530 4.679 -11.196 137 H SER 19 H SER 19 14.703 0.168 -7.989 138 HA SER 19 HA SER 19 14.692 -0.898 -10.641 139 HB2 SER 19 2HB SER 19 16.508 -1.650 -8.341 140 HB3 SER 19 1HB SER 19 16.832 -1.855 -10.064 141 HG SER 19 HG SER 19 16.574 0.584 -8.628 142 H MET 20 H MET 20 13.415 -1.941 -7.658 143 HA MET 20 HA MET 20 13.470 -4.761 -8.314 144 HB2 MET 20 2HB MET 20 13.632 -3.823 -5.961 145 HB3 MET 20 1HB MET 20 11.927 -3.421 -6.091 146 HG2 MET 20 2HG MET 20 11.355 -5.746 -6.372 147 HG3 MET 20 1HG MET 20 13.059 -6.192 -6.377 148 HE1 MET 20 3HE MET 20 14.413 -4.603 -4.114 149 HE2 MET 20 1HE MET 20 14.570 -6.352 -4.286 150 HE3 MET 20 2HE MET 20 14.163 -5.652 -2.719 151 H GLY 21 H GLY 21 11.637 -2.128 -9.197 152 HA2 GLY 21 2HA GLY 21 9.910 -2.365 -10.839 153 HA3 GLY 21 1HA GLY 21 9.479 -3.905 -10.110 154 H PHE 22 H PHE 22 10.073 -1.517 -7.795 155 HA PHE 22 HA PHE 22 7.193 -1.263 -7.353 156 HB2 PHE 22 2HB PHE 22 9.122 -1.886 -5.589 157 HB3 PHE 22 1HB PHE 22 9.133 -0.137 -5.407 158 HD1 PHE 22 2HD PHE 22 6.601 0.854 -5.291 159 HD2 PHE 22 1HD PHE 22 7.841 -3.032 -4.090 160 HE1 PHE 22 2HE PHE 22 4.659 0.702 -3.789 161 HE2 PHE 22 1HE PHE 22 5.898 -3.197 -2.589 162 HZ PHE 22 HZ PHE 22 4.307 -1.324 -2.438 163 H SER 23 H SER 23 6.161 0.531 -7.871 164 HA SER 23 HA SER 23 7.527 3.100 -7.789 165 HB2 SER 23 2HB SER 23 6.125 2.082 -10.274 166 HB3 SER 23 1HB SER 23 6.788 3.702 -10.058 167 HG SER 23 HG SER 23 8.692 1.961 -9.451 168 H ASP 24 H ASP 24 6.139 4.818 -7.413 169 HA ASP 24 HA ASP 24 3.419 4.012 -6.667 170 HB2 ASP 24 2HB ASP 24 3.379 5.990 -5.237 171 HB3 ASP 24 1HB ASP 24 4.786 4.996 -4.878 172 H GLU 25 H GLU 25 1.671 5.444 -7.028 173 HA GLU 25 HA GLU 25 1.984 7.108 -9.440 174 HB2 GLU 25 2HB GLU 25 -0.742 6.471 -9.110 175 HB3 GLU 25 1HB GLU 25 0.347 5.871 -10.350 176 HG2 GLU 25 2HG GLU 25 -0.614 3.965 -9.397 177 HG3 GLU 25 1HG GLU 25 1.002 4.058 -8.700 178 H GLY 26 H GLY 26 0.186 6.679 -6.417 179 HA2 GLY 26 2HA GLY 26 -0.625 9.491 -6.439 180 HA3 GLY 26 1HA GLY 26 -1.150 8.262 -5.297 181 H GLY 27 H GLY 27 2.138 8.044 -5.707 182 HA2 GLY 27 2HA GLY 27 3.979 8.828 -4.571 183 HA3 GLY 27 1HA GLY 27 2.990 10.138 -3.946 184 H TRP 28 H TRP 28 2.466 6.637 -3.570 185 HA TRP 28 HA TRP 28 2.414 7.097 -0.693 186 HB2 TRP 28 2HB TRP 28 1.215 5.049 -0.471 187 HB3 TRP 28 1HB TRP 28 0.490 5.973 -1.776 188 HD1 TRP 28 HD TRP 28 1.296 5.090 -4.348 189 HE1 TRP 28 1HE TRP 28 1.531 2.654 -5.141 190 HE3 TRP 28 3HE TRP 28 1.747 2.804 0.195 191 HZ2 TRP 28 2HZ TRP 28 1.870 0.087 -3.980 192 HZ3 TRP 28 3HZ TRP 28 2.020 0.364 0.271 193 HH2 TRP 28 HH TRP 28 2.081 -0.964 -1.775 194 H LEU 29 H LEU 29 4.406 5.521 -3.052 195 HA LEU 29 HA LEU 29 5.656 3.628 -1.390 196 HB2 LEU 29 2HB LEU 29 5.931 3.514 -3.781 197 HB3 LEU 29 1HB LEU 29 6.675 5.100 -3.822 198 HG LEU 29 HG LEU 29 8.616 4.210 -2.583 199 HD11 LEU 29 1HD1 LEU 29 7.507 2.398 -1.394 200 HD12 LEU 29 2HD1 LEU 29 8.898 1.808 -2.306 201 HD13 LEU 29 3HD1 LEU 29 7.264 1.540 -2.915 202 HD21 LEU 29 3HD2 LEU 29 7.930 2.698 -5.099 203 HD22 LEU 29 1HD2 LEU 29 9.547 2.891 -4.420 204 HD23 LEU 29 2HD2 LEU 29 8.665 4.299 -5.012 205 H THR 30 H THR 30 6.397 7.015 -2.059 206 HA THR 30 HA THR 30 8.779 7.095 -0.523 207 HB THR 30 HB THR 30 8.228 8.739 -2.313 208 HG1 THR 30 1HG THR 30 8.935 9.573 0.298 209 HG21 THR 30 3HG2 THR 30 6.313 9.853 -0.264 210 HG22 THR 30 1HG2 THR 30 5.872 9.092 -1.791 211 HG23 THR 30 2HG2 THR 30 6.749 10.624 -1.791 212 H ARG 31 H ARG 31 5.534 6.909 0.382 213 HA ARG 31 HA ARG 31 5.921 8.270 2.938 214 HB2 ARG 31 2HB ARG 31 3.435 6.828 2.031 215 HB3 ARG 31 1HB ARG 31 3.576 8.085 3.253 216 HG2 ARG 31 2HG ARG 31 4.297 8.686 0.421 217 HG3 ARG 31 1HG ARG 31 2.604 8.645 0.911 218 HD2 ARG 31 2HD ARG 31 4.615 10.257 2.442 219 HD3 ARG 31 1HD ARG 31 3.871 10.896 0.978 220 HE ARG 31 HE ARG 31 1.987 9.886 2.897 221 HH11 ARG 31 1HH1 ARG 31 3.857 12.665 1.898 222 HH12 ARG 31 2HH1 ARG 31 2.780 13.807 2.635 223 HH21 ARG 31 1HH2 ARG 31 0.571 11.369 3.858 224 HH22 ARG 31 2HH2 ARG 31 0.910 13.072 3.760 225 H LEU 32 H LEU 32 5.321 5.084 1.571 226 HA LEU 32 HA LEU 32 4.994 3.628 3.930 227 HB2 LEU 32 2HB LEU 32 4.569 2.822 1.597 228 HB3 LEU 32 1HB LEU 32 6.302 2.676 1.381 229 HG LEU 32 HG LEU 32 6.266 1.074 3.364 230 HD11 LEU 32 1HD1 LEU 32 4.113 1.578 4.289 231 HD12 LEU 32 2HD1 LEU 32 4.085 -0.081 3.692 232 HD13 LEU 32 3HD1 LEU 32 3.317 1.202 2.761 233 HD21 LEU 32 3HD2 LEU 32 5.635 -0.813 1.965 234 HD22 LEU 32 1HD2 LEU 32 6.577 0.360 1.047 235 HD23 LEU 32 2HD2 LEU 32 4.829 0.278 0.836 236 H LEU 33 H LEU 33 7.899 4.605 2.200 237 HA LEU 33 HA LEU 33 9.700 3.115 3.845 238 HB2 LEU 33 2HB LEU 33 10.192 5.447 1.992 239 HB3 LEU 33 1HB LEU 33 11.446 4.479 2.738 240 HG LEU 33 HG LEU 33 9.392 3.420 0.797 241 HD11 LEU 33 1HD1 LEU 33 11.278 3.316 -0.776 242 HD12 LEU 33 2HD1 LEU 33 12.292 4.139 0.409 243 HD13 LEU 33 3HD1 LEU 33 10.905 4.971 -0.292 244 HD21 LEU 33 3HD2 LEU 33 10.216 1.737 2.380 245 HD22 LEU 33 1HD2 LEU 33 11.874 2.148 1.945 246 HD23 LEU 33 2HD2 LEU 33 10.803 1.430 0.745 247 H GLN 34 H GLN 34 7.906 5.878 4.401 248 HA GLN 34 HA GLN 34 9.873 7.025 6.239 249 HB2 GLN 34 2HB GLN 34 7.190 8.026 5.271 250 HB3 GLN 34 1HB GLN 34 8.130 8.833 6.517 251 HG2 GLN 34 2HG GLN 34 9.116 8.307 3.725 252 HG3 GLN 34 1HG GLN 34 8.378 9.816 4.258 253 HE21 GLN 34 1HE2 GLN 34 11.157 7.743 4.498 254 HE22 GLN 34 2HE2 GLN 34 12.220 8.915 5.199 255 H THR 35 H THR 35 6.579 5.718 6.197 256 HA THR 35 HA THR 35 6.274 5.912 9.035 257 HB THR 35 HB THR 35 4.191 4.596 8.679 258 HG1 THR 35 1HG THR 35 3.728 3.736 6.761 259 HG21 THR 35 3HG2 THR 35 4.755 7.043 7.032 260 HG22 THR 35 1HG2 THR 35 3.870 6.908 8.551 261 HG23 THR 35 2HG2 THR 35 3.151 6.307 7.056 262 H LYS 36 H LYS 36 7.170 3.319 6.796 263 HA LYS 36 HA LYS 36 7.504 1.547 9.124 264 HB2 LYS 36 2HB LYS 36 7.147 0.826 6.214 265 HB3 LYS 36 1HB LYS 36 7.374 -0.324 7.525 266 HG2 LYS 36 2HG LYS 36 5.291 0.579 8.575 267 HG3 LYS 36 1HG LYS 36 5.039 1.530 7.111 268 HD2 LYS 36 2HD LYS 36 4.879 -0.459 5.777 269 HD3 LYS 36 1HD LYS 36 5.331 -1.468 7.153 270 HE2 LYS 36 2HE LYS 36 2.993 -1.670 6.970 271 HE3 LYS 36 1HE LYS 36 3.269 -0.563 8.314 272 HZ1 LYS 36 3HZ LYS 36 2.783 0.443 5.582 273 HZ2 LYS 36 1HZ LYS 36 2.593 1.261 7.055 274 HZ3 LYS 36 2HZ LYS 36 1.501 0.042 6.605 275 H ASN 37 H ASN 37 9.336 3.614 7.823 276 HA ASN 37 HA ASN 37 11.577 3.940 7.666 277 HB2 ASN 37 2HB ASN 37 11.616 2.288 9.609 278 HB3 ASN 37 1HB ASN 37 12.003 1.046 8.424 279 HD21 ASN 37 1HD2 ASN 37 14.041 0.586 9.107 280 HD22 ASN 37 2HD2 ASN 37 15.349 1.718 9.041 281 H TYR 38 H TYR 38 13.601 3.063 6.488 282 HA TYR 38 HA TYR 38 12.775 2.369 3.802 283 HB2 TYR 38 2HB TYR 38 15.622 2.724 4.726 284 HB3 TYR 38 1HB TYR 38 14.955 2.991 3.120 285 HD1 TYR 38 1HD TYR 38 13.587 5.023 2.679 286 HD2 TYR 38 2HD TYR 38 15.607 4.435 6.381 287 HE1 TYR 38 1HE TYR 38 13.349 7.415 3.186 288 HE2 TYR 38 2HE TYR 38 15.376 6.827 6.893 289 HH TYR 38 HH TYR 38 15.085 8.971 5.581 290 H ASP 39 H ASP 39 12.466 0.308 5.803 291 HA ASP 39 HA ASP 39 14.617 -1.578 5.371 292 HB2 ASP 39 2HB ASP 39 12.303 -1.375 7.150 293 HB3 ASP 39 1HB ASP 39 12.547 -3.004 6.524 294 H ILE 40 H ILE 40 14.755 -2.415 3.417 295 HA ILE 40 HA ILE 40 12.707 -2.685 1.543 296 HB ILE 40 HB ILE 40 15.233 -4.327 1.708 297 HG12 ILE 40 2HG1 ILE 40 14.734 -1.707 0.279 298 HG13 ILE 40 1HG1 ILE 40 15.624 -1.873 1.787 299 HG21 ILE 40 1HG2 ILE 40 13.611 -5.243 0.137 300 HG22 ILE 40 2HG2 ILE 40 14.983 -4.543 -0.723 301 HG23 ILE 40 3HG2 ILE 40 13.455 -3.666 -0.638 302 HD11 ILE 40 3HD1 ILE 40 16.389 -2.931 -0.915 303 HD12 ILE 40 1HD1 ILE 40 17.225 -3.352 0.577 304 HD13 ILE 40 2HD1 ILE 40 17.201 -1.679 0.024 305 H GLY 41 H GLY 41 14.044 -5.079 3.796 306 HA2 GLY 41 2HA GLY 41 12.530 -7.280 2.938 307 HA3 GLY 41 1HA GLY 41 13.215 -7.086 4.545 308 H ALA 42 H ALA 42 11.813 -4.799 5.355 309 HA ALA 42 HA ALA 42 9.401 -5.973 6.256 310 HB1 ALA 42 1HB ALA 42 8.961 -3.830 7.313 311 HB2 ALA 42 2HB ALA 42 10.235 -3.075 6.356 312 HB3 ALA 42 3HB ALA 42 10.643 -4.299 7.557 313 H ALA 43 H ALA 43 10.149 -3.564 3.780 314 HA ALA 43 HA ALA 43 7.530 -2.814 3.129 315 HB1 ALA 43 1HB ALA 43 9.623 -1.659 2.394 316 HB2 ALA 43 2HB ALA 43 8.429 -1.896 1.117 317 HB3 ALA 43 3HB ALA 43 9.847 -2.942 1.206 318 H LEU 44 H LEU 44 9.575 -5.414 1.877 319 HA LEU 44 HA LEU 44 7.818 -6.297 -0.138 320 HB2 LEU 44 2HB LEU 44 10.212 -7.332 1.225 321 HB3 LEU 44 1HB LEU 44 9.151 -8.561 0.568 322 HG LEU 44 HG LEU 44 9.339 -7.574 -1.657 323 HD11 LEU 44 1HD1 LEU 44 10.994 -5.781 -2.064 324 HD12 LEU 44 2HD1 LEU 44 11.169 -5.584 -0.320 325 HD13 LEU 44 3HD1 LEU 44 9.623 -5.244 -1.093 326 HD21 LEU 44 3HD2 LEU 44 10.934 -9.285 -1.042 327 HD22 LEU 44 1HD2 LEU 44 11.988 -8.077 -0.305 328 HD23 LEU 44 2HD2 LEU 44 11.720 -8.068 -2.047 329 H ASP 45 H ASP 45 8.173 -7.231 3.249 330 HA ASP 45 HA ASP 45 6.242 -9.329 3.137 331 HB2 ASP 45 2HB ASP 45 8.137 -9.026 4.833 332 HB3 ASP 45 1HB ASP 45 7.077 -7.873 5.634 333 H THR 46 H THR 46 6.037 -5.925 3.468 334 HA THR 46 HA THR 46 3.674 -5.626 4.934 335 HB THR 46 HB THR 46 4.729 -3.878 2.702 336 HG1 THR 46 1HG THR 46 6.165 -4.152 4.503 337 HG21 THR 46 3HG2 THR 46 3.392 -2.098 3.664 338 HG22 THR 46 1HG2 THR 46 2.801 -3.181 4.924 339 HG23 THR 46 2HG2 THR 46 2.345 -3.452 3.240 340 H ILE 47 H ILE 47 4.176 -6.282 1.496 341 HA ILE 47 HA ILE 47 1.252 -6.444 1.195 342 HB ILE 47 HB ILE 47 1.579 -6.138 -1.211 343 HG12 ILE 47 2HG1 ILE 47 4.483 -5.553 -0.610 344 HG13 ILE 47 1HG1 ILE 47 3.924 -7.116 -1.201 345 HG21 ILE 47 1HG2 ILE 47 3.002 -3.946 0.292 346 HG22 ILE 47 2HG2 ILE 47 1.261 -4.207 0.376 347 HG23 ILE 47 3HG2 ILE 47 2.015 -3.796 -1.164 348 HD11 ILE 47 3HD1 ILE 47 4.784 -5.751 -3.009 349 HD12 ILE 47 1HD1 ILE 47 3.622 -4.481 -2.620 350 HD13 ILE 47 2HD1 ILE 47 3.056 -6.042 -3.212 351 H GLN 48 H GLN 48 3.663 -8.392 1.883 352 HA GLN 48 HA GLN 48 3.942 -10.635 1.872 353 HB2 GLN 48 2HB GLN 48 1.263 -10.451 0.596 354 HB3 GLN 48 1HB GLN 48 2.125 -11.981 0.499 355 HG2 GLN 48 2HG GLN 48 1.549 -10.513 3.062 356 HG3 GLN 48 1HG GLN 48 0.558 -11.818 2.406 357 HE21 GLN 48 1HE2 GLN 48 2.225 -11.509 4.879 358 HE22 GLN 48 2HE2 GLN 48 3.234 -12.917 4.893 359 H TYR 49 H TYR 49 3.162 -9.257 -1.277 360 HA TYR 49 HA TYR 49 4.263 -11.221 -2.914 361 HB2 TYR 49 2HB TYR 49 3.911 -8.251 -3.259 362 HB3 TYR 49 1HB TYR 49 4.647 -9.235 -4.522 363 HD1 TYR 49 2HD TYR 49 3.334 -10.863 -5.749 364 HD2 TYR 49 1HD TYR 49 1.542 -8.442 -2.748 365 HE1 TYR 49 2HE TYR 49 1.112 -11.486 -6.583 366 HE2 TYR 49 1HE TYR 49 -0.693 -9.065 -3.572 367 HH TYR 49 HH TYR 49 -1.818 -10.030 -5.287 368 H SER 50 H SER 50 6.174 -12.067 -2.328 369 HA SER 50 HA SER 50 8.480 -10.258 -2.084 370 HB2 SER 50 2HB SER 50 9.326 -12.717 -1.166 371 HB3 SER 50 1HB SER 50 8.729 -11.405 -0.144 372 HG SER 50 HG SER 50 6.649 -12.317 -0.275 373 H LYS 51 H LYS 51 7.205 -13.101 -3.689 374 HA LYS 51 HA LYS 51 9.551 -13.084 -5.469 375 HB2 LYS 51 2HB LYS 51 7.908 -15.417 -4.496 376 HB3 LYS 51 1HB LYS 51 9.031 -15.523 -5.840 377 HG2 LYS 51 2HG LYS 51 10.892 -15.087 -4.424 378 HG3 LYS 51 1HG LYS 51 9.840 -14.652 -3.077 379 HD2 LYS 51 2HD LYS 51 10.707 -16.883 -2.731 380 HD3 LYS 51 1HD LYS 51 8.975 -16.972 -3.055 381 HE2 LYS 51 2HE LYS 51 9.824 -17.271 -5.546 382 HE3 LYS 51 1HE LYS 51 11.277 -17.846 -4.727 383 HZ1 LYS 51 3HZ LYS 51 8.555 -18.892 -4.175 384 HZ2 LYS 51 1HZ LYS 51 10.027 -19.530 -3.642 385 HZ3 LYS 51 2HZ LYS 51 9.623 -19.598 -5.281 386 H HIS 52 H HIS 52 6.248 -14.414 -5.418 387 HA HIS 52 HA HIS 52 5.902 -13.395 -8.154 388 HB2 HIS 52 2HB HIS 52 4.922 -15.920 -6.851 389 HB3 HIS 52 1HB HIS 52 4.100 -15.248 -8.256 390 HD1 HIS 52 1HD HIS 52 5.040 -15.853 -10.490 391 HD2 HIS 52 2HD HIS 52 7.708 -16.590 -7.392 392 HE1 HIS 52 1HE HIS 52 7.001 -17.007 -11.550 393 HE2 HIS 52 2HE HIS 52 8.694 -17.213 -9.695 394 H1 GLY 1 1HT GLY 1 -18.742 19.762 1.724 395 H2 GLY 1 2HT GLY 1 -17.396 18.786 2.038 396 H3 GLY 1 3HT GLY 1 -17.756 20.084 3.059 397 HA2 GLY 1 1HA GLY 1 -18.396 18.011 4.091 398 HA3 GLY 1 2HA GLY 1 -19.800 19.018 3.755 399 H SER 2 H SER 2 -20.969 16.966 3.909 400 HA SER 2 HA SER 2 -20.612 15.177 1.623 401 HB2 SER 2 2HB SER 2 -22.715 14.728 3.704 402 HB3 SER 2 1HB SER 2 -21.716 13.555 2.844 403 HG SER 2 HG SER 2 -21.285 14.765 5.234 404 HA PRO 3 HA PRO 3 -24.088 17.496 -0.085 405 HB2 PRO 3 2HB PRO 3 -23.457 17.194 -2.659 406 HB3 PRO 3 1HB PRO 3 -22.549 18.294 -1.619 407 HG2 PRO 3 2HG PRO 3 -21.811 15.582 -2.601 408 HG3 PRO 3 1HG PRO 3 -20.783 17.000 -2.333 409 HD2 PRO 3 2HD PRO 3 -21.090 14.831 -0.582 410 HD3 PRO 3 1HD PRO 3 -20.378 16.406 -0.183 411 HA PRO 4 HA PRO 4 -26.845 14.073 -0.871 412 HB2 PRO 4 2HB PRO 4 -28.422 15.938 -2.526 413 HB3 PRO 4 1HB PRO 4 -28.889 15.066 -1.065 414 HG2 PRO 4 2HG PRO 4 -28.474 17.708 -1.035 415 HG3 PRO 4 1HG PRO 4 -28.014 16.683 0.340 416 HD2 PRO 4 2HD PRO 4 -26.290 17.840 -1.825 417 HD3 PRO 4 1HD PRO 4 -25.978 17.709 -0.082 418 H GLU 5 H GLU 5 -25.054 15.669 -3.197 419 HA GLU 5 HA GLU 5 -26.072 14.373 -5.544 420 HB2 GLU 5 2HB GLU 5 -23.368 15.671 -5.202 421 HB3 GLU 5 1HB GLU 5 -24.261 15.435 -6.697 422 HG2 GLU 5 2HG GLU 5 -25.141 17.227 -4.445 423 HG3 GLU 5 1HG GLU 5 -24.280 17.766 -5.885 424 H ALA 6 H ALA 6 -24.005 13.520 -2.984 425 HA ALA 6 HA ALA 6 -22.602 11.467 -4.518 426 HB1 ALA 6 1HB ALA 6 -22.329 12.277 -1.622 427 HB2 ALA 6 2HB ALA 6 -21.281 12.784 -2.947 428 HB3 ALA 6 3HB ALA 6 -21.325 11.092 -2.457 429 H ASP 7 H ASP 7 -23.020 9.334 -4.354 430 HA ASP 7 HA ASP 7 -25.523 8.516 -3.306 431 HB2 ASP 7 2HB ASP 7 -24.336 7.467 -5.267 432 HB3 ASP 7 1HB ASP 7 -23.241 6.713 -4.115 433 HA PRO 8 HA PRO 8 -24.415 7.899 0.941 434 HB2 PRO 8 2HB PRO 8 -26.431 6.134 1.555 435 HB3 PRO 8 1HB PRO 8 -26.627 7.888 1.496 436 HG2 PRO 8 2HG PRO 8 -27.287 5.838 -0.585 437 HG3 PRO 8 1HG PRO 8 -28.224 7.256 -0.074 438 HD2 PRO 8 2HD PRO 8 -26.783 7.279 -2.324 439 HD3 PRO 8 1HD PRO 8 -26.892 8.719 -1.288 440 H ARG 9 H ARG 9 -24.713 5.302 -1.365 441 HA ARG 9 HA ARG 9 -23.476 3.402 0.479 442 HB2 ARG 9 2HB ARG 9 -24.518 3.073 -2.340 443 HB3 ARG 9 1HB ARG 9 -23.790 1.776 -1.397 444 HG2 ARG 9 2HG ARG 9 -25.617 1.508 -0.102 445 HG3 ARG 9 1HG ARG 9 -26.030 3.223 -0.123 446 HD2 ARG 9 2HD ARG 9 -26.414 1.321 -2.434 447 HD3 ARG 9 1HD ARG 9 -27.679 1.810 -1.309 448 HE ARG 9 HE ARG 9 -26.244 3.789 -2.971 449 HH11 ARG 9 1HH1 ARG 9 -29.233 2.345 -1.819 450 HH12 ARG 9 2HH1 ARG 9 -30.245 3.479 -2.651 451 HH21 ARG 9 1HH2 ARG 9 -27.579 5.251 -4.092 452 HH22 ARG 9 2HH2 ARG 9 -29.311 5.133 -3.935 453 H LEU 10 H LEU 10 -22.726 5.404 -2.253 454 HA LEU 10 HA LEU 10 -20.306 4.116 -3.004 455 HB2 LEU 10 2HB LEU 10 -21.512 5.632 -4.514 456 HB3 LEU 10 1HB LEU 10 -21.198 6.970 -3.426 457 HG LEU 10 HG LEU 10 -18.764 6.691 -3.847 458 HD11 LEU 10 1HD1 LEU 10 -18.077 5.347 -5.797 459 HD12 LEU 10 2HD1 LEU 10 -19.712 4.692 -5.898 460 HD13 LEU 10 3HD1 LEU 10 -18.712 4.360 -4.482 461 HD21 LEU 10 3HD2 LEU 10 -20.454 7.131 -6.308 462 HD22 LEU 10 1HD2 LEU 10 -18.792 7.675 -6.077 463 HD23 LEU 10 2HD2 LEU 10 -20.083 8.342 -5.078 464 H ILE 11 H ILE 11 -21.089 6.764 -0.808 465 HA ILE 11 HA ILE 11 -18.370 7.388 -0.210 466 HB ILE 11 HB ILE 11 -20.276 8.989 0.049 467 HG12 ILE 11 2HG1 ILE 11 -18.716 8.584 2.607 468 HG13 ILE 11 1HG1 ILE 11 -18.026 9.268 1.141 469 HG21 ILE 11 1HG2 ILE 11 -21.609 8.909 2.101 470 HG22 ILE 11 2HG2 ILE 11 -20.883 7.355 2.511 471 HG23 ILE 11 3HG2 ILE 11 -21.897 7.505 1.077 472 HD11 ILE 11 3HD1 ILE 11 -19.629 11.105 1.246 473 HD12 ILE 11 1HD1 ILE 11 -18.645 11.006 2.707 474 HD13 ILE 11 2HD1 ILE 11 -20.309 10.423 2.725 475 H GLU 12 H GLU 12 -20.531 4.958 0.847 476 HA GLU 12 HA GLU 12 -19.444 4.532 3.442 477 HB2 GLU 12 2HB GLU 12 -21.225 2.923 1.643 478 HB3 GLU 12 1HB GLU 12 -20.584 2.229 3.128 479 HG2 GLU 12 2HG GLU 12 -22.207 4.758 2.957 480 HG3 GLU 12 1HG GLU 12 -22.839 3.173 3.398 481 H SER 13 H SER 13 -18.262 3.848 0.347 482 HA SER 13 HA SER 13 -16.932 1.430 0.681 483 HB2 SER 13 2HB SER 13 -15.830 3.806 -0.836 484 HB3 SER 13 1HB SER 13 -15.535 2.097 -1.159 485 HG SER 13 HG SER 13 -17.743 3.677 -1.781 486 H LEU 14 H LEU 14 -16.063 4.666 1.735 487 HA LEU 14 HA LEU 14 -13.418 4.019 2.585 488 HB2 LEU 14 2HB LEU 14 -15.274 6.311 3.237 489 HB3 LEU 14 1HB LEU 14 -13.679 6.168 3.947 490 HG LEU 14 HG LEU 14 -12.909 6.026 1.427 491 HD11 LEU 14 1HD1 LEU 14 -14.299 7.462 -0.007 492 HD12 LEU 14 2HD1 LEU 14 -15.532 7.507 1.252 493 HD13 LEU 14 3HD1 LEU 14 -15.136 5.982 0.461 494 HD21 LEU 14 3HD2 LEU 14 -13.743 8.571 2.818 495 HD22 LEU 14 1HD2 LEU 14 -12.650 8.483 1.437 496 HD23 LEU 14 2HD2 LEU 14 -12.193 7.745 2.972 497 H SER 15 H SER 15 -16.535 4.368 4.230 498 HA SER 15 HA SER 15 -15.662 3.837 6.839 499 HB2 SER 15 2HB SER 15 -18.366 2.897 6.144 500 HB3 SER 15 1HB SER 15 -17.856 4.086 7.345 501 HG SER 15 HG SER 15 -19.090 4.769 5.313 502 H GLN 16 H GLN 16 -16.750 1.691 4.247 503 HA GLN 16 HA GLN 16 -16.917 -0.683 5.733 504 HB2 GLN 16 2HB GLN 16 -17.683 -0.220 3.328 505 HB3 GLN 16 1HB GLN 16 -16.023 -0.574 2.860 506 HG2 GLN 16 2HG GLN 16 -17.361 -2.538 2.574 507 HG3 GLN 16 1HG GLN 16 -16.239 -2.795 3.910 508 HE21 GLN 16 1HE2 GLN 16 -17.501 -4.402 4.827 509 HE22 GLN 16 2HE2 GLN 16 -19.000 -4.066 5.625 510 H MET 17 H MET 17 -14.198 0.722 3.930 511 HA MET 17 HA MET 17 -12.373 -1.373 4.470 512 HB2 MET 17 2HB MET 17 -11.880 1.543 3.828 513 HB3 MET 17 1HB MET 17 -10.622 0.316 3.889 514 HG2 MET 17 2HG MET 17 -12.945 0.431 1.980 515 HG3 MET 17 1HG MET 17 -11.246 0.715 1.611 516 HE1 MET 17 3HE MET 17 -9.439 -1.200 1.304 517 HE2 MET 17 1HE MET 17 -9.672 -2.826 1.952 518 HE3 MET 17 2HE MET 17 -9.649 -1.437 3.038 519 H LEU 18 H LEU 18 -13.170 1.629 6.125 520 HA LEU 18 HA LEU 18 -11.170 1.571 8.087 521 HB2 LEU 18 2HB LEU 18 -12.565 3.530 7.618 522 HB3 LEU 18 1HB LEU 18 -13.973 2.686 8.231 523 HG LEU 18 HG LEU 18 -12.846 2.590 10.472 524 HD11 LEU 18 1HD1 LEU 18 -10.885 4.393 9.070 525 HD12 LEU 18 2HD1 LEU 18 -10.552 2.856 9.870 526 HD13 LEU 18 3HD1 LEU 18 -11.024 4.262 10.824 527 HD21 LEU 18 3HD2 LEU 18 -14.563 4.256 9.867 528 HD22 LEU 18 1HD2 LEU 18 -13.281 5.352 9.349 529 HD23 LEU 18 2HD2 LEU 18 -13.397 4.867 11.041 530 H SER 19 H SER 19 -14.492 0.297 8.122 531 HA SER 19 HA SER 19 -14.339 -0.798 10.731 532 HB2 SER 19 2HB SER 19 -16.185 -1.359 8.405 533 HB3 SER 19 1HB SER 19 -16.377 -2.112 9.986 534 HG SER 19 HG SER 19 -16.703 -0.093 10.890 535 H MET 20 H MET 20 -13.197 -1.869 7.672 536 HA MET 20 HA MET 20 -13.056 -4.661 8.363 537 HB2 MET 20 2HB MET 20 -13.251 -3.648 6.011 538 HB3 MET 20 1HB MET 20 -11.532 -3.307 6.143 539 HG2 MET 20 2HG MET 20 -11.035 -5.645 6.354 540 HG3 MET 20 1HG MET 20 -12.749 -6.048 6.420 541 HE1 MET 20 3HE MET 20 -14.027 -4.216 4.167 542 HE2 MET 20 1HE MET 20 -14.385 -5.928 4.398 543 HE3 MET 20 2HE MET 20 -13.959 -5.324 2.797 544 H GLY 21 H GLY 21 -11.370 -1.964 9.300 545 HA2 GLY 21 2HA GLY 21 -9.626 -2.041 10.885 546 HA3 GLY 21 1HA GLY 21 -9.172 -3.627 10.281 547 H PHE 22 H PHE 22 -9.774 -1.375 7.815 548 HA PHE 22 HA PHE 22 -6.900 -1.207 7.328 549 HB2 PHE 22 2HB PHE 22 -9.315 -0.924 5.566 550 HB3 PHE 22 1HB PHE 22 -7.761 -0.267 5.062 551 HD1 PHE 22 1HD PHE 22 -9.378 -3.407 6.212 552 HD2 PHE 22 2HD PHE 22 -6.198 -1.625 4.015 553 HE1 PHE 22 1HE PHE 22 -8.702 -5.631 5.390 554 HE2 PHE 22 2HE PHE 22 -5.518 -3.837 3.196 555 HZ PHE 22 HZ PHE 22 -6.770 -5.847 3.884 556 H SER 23 H SER 23 -5.835 0.550 7.753 557 HA SER 23 HA SER 23 -6.978 3.178 7.374 558 HB2 SER 23 2HB SER 23 -5.831 2.476 10.088 559 HB3 SER 23 1HB SER 23 -6.672 3.953 9.616 560 HG SER 23 HG SER 23 -8.429 2.220 9.105 561 H ASP 24 H ASP 24 -5.421 4.544 6.675 562 HA ASP 24 HA ASP 24 -2.736 3.469 6.413 563 HB2 ASP 24 2HB ASP 24 -2.394 5.577 5.015 564 HB3 ASP 24 1HB ASP 24 -3.520 4.379 4.395 565 H GLU 25 H GLU 25 -0.844 4.678 6.913 566 HA GLU 25 HA GLU 25 -1.173 6.302 9.338 567 HB2 GLU 25 2HB GLU 25 1.562 5.646 8.474 568 HB3 GLU 25 1HB GLU 25 0.816 5.502 10.056 569 HG2 GLU 25 2HG GLU 25 1.211 3.315 9.595 570 HG3 GLU 25 1HG GLU 25 -0.418 3.474 8.942 571 H GLY 26 H GLY 26 -0.092 6.457 6.043 572 HA2 GLY 26 2HA GLY 26 0.731 9.258 6.467 573 HA3 GLY 26 1HA GLY 26 1.418 8.217 5.230 574 H GLY 27 H GLY 27 -1.921 7.799 5.622 575 HA2 GLY 27 2HA GLY 27 -3.761 8.512 4.439 576 HA3 GLY 27 1HA GLY 27 -2.839 9.935 3.976 577 H TRP 28 H TRP 28 -2.036 6.538 3.298 578 HA TRP 28 HA TRP 28 -1.986 7.255 0.471 579 HB2 TRP 28 2HB TRP 28 -0.681 5.211 0.119 580 HB3 TRP 28 1HB TRP 28 0.062 6.287 1.293 581 HD1 TRP 28 HD TRP 28 -0.002 5.469 3.888 582 HE1 TRP 28 1HE TRP 28 -0.082 3.099 4.893 583 HE3 TRP 28 3HE TRP 28 -1.613 2.918 -0.239 584 HZ2 TRP 28 2HZ TRP 28 -0.747 0.478 4.020 585 HZ3 TRP 28 3HZ TRP 28 -1.942 0.488 -0.070 586 HH2 TRP 28 HH TRP 28 -1.518 -0.702 2.019 587 H LEU 29 H LEU 29 -3.914 5.452 2.655 588 HA LEU 29 HA LEU 29 -4.944 3.559 0.769 589 HB2 LEU 29 2HB LEU 29 -5.092 3.175 3.190 590 HB3 LEU 29 1HB LEU 29 -6.123 4.583 3.357 591 HG LEU 29 HG LEU 29 -7.772 3.389 1.825 592 HD11 LEU 29 1HD1 LEU 29 -6.242 1.724 0.917 593 HD12 LEU 29 2HD1 LEU 29 -7.602 0.956 1.736 594 HD13 LEU 29 3HD1 LEU 29 -6.027 1.031 2.524 595 HD21 LEU 29 3HD2 LEU 29 -7.132 2.237 4.535 596 HD22 LEU 29 1HD2 LEU 29 -8.650 2.005 3.668 597 HD23 LEU 29 2HD2 LEU 29 -8.172 3.619 4.191 598 H THR 30 H THR 30 -5.814 6.775 1.853 599 HA THR 30 HA THR 30 -8.282 6.925 0.458 600 HB THR 30 HB THR 30 -7.683 8.435 2.344 601 HG1 THR 30 1HG THR 30 -8.539 9.422 -0.149 602 HG21 THR 30 3HG2 THR 30 -5.853 9.740 0.325 603 HG22 THR 30 1HG2 THR 30 -5.352 8.882 1.779 604 HG23 THR 30 2HG2 THR 30 -6.257 10.391 1.914 605 H ARG 31 H ARG 31 -5.064 6.950 -0.560 606 HA ARG 31 HA ARG 31 -5.573 8.425 -3.027 607 HB2 ARG 31 2HB ARG 31 -3.054 7.013 -2.117 608 HB3 ARG 31 1HB ARG 31 -3.192 8.128 -3.469 609 HG2 ARG 31 2HG ARG 31 -3.865 8.998 -0.688 610 HG3 ARG 31 1HG ARG 31 -2.194 8.962 -1.252 611 HD2 ARG 31 2HD ARG 31 -4.124 10.263 -3.051 612 HD3 ARG 31 1HD ARG 31 -3.836 11.084 -1.520 613 HE ARG 31 HE ARG 31 -1.478 10.290 -3.030 614 HH11 ARG 31 1HH1 ARG 31 -3.735 12.835 -2.189 615 HH12 ARG 31 2HH1 ARG 31 -2.641 14.113 -2.613 616 HH21 ARG 31 1HH2 ARG 31 -0.043 11.961 -3.602 617 HH22 ARG 31 2HH2 ARG 31 -0.535 13.613 -3.423 618 H LEU 32 H LEU 32 -4.983 5.199 -1.822 619 HA LEU 32 HA LEU 32 -4.628 3.812 -4.215 620 HB2 LEU 32 2HB LEU 32 -4.216 2.914 -1.946 621 HB3 LEU 32 1HB LEU 32 -5.948 2.848 -1.675 622 HG LEU 32 HG LEU 32 -5.490 1.417 -4.052 623 HD11 LEU 32 1HD1 LEU 32 -3.103 1.367 -3.355 624 HD12 LEU 32 2HD1 LEU 32 -3.853 -0.225 -3.461 625 HD13 LEU 32 3HD1 LEU 32 -3.597 0.523 -1.886 626 HD21 LEU 32 3HD2 LEU 32 -6.273 -0.478 -2.727 627 HD22 LEU 32 1HD2 LEU 32 -7.222 0.973 -2.395 628 HD23 LEU 32 2HD2 LEU 32 -5.995 0.437 -1.246 629 H LEU 33 H LEU 33 -7.554 4.775 -2.518 630 HA LEU 33 HA LEU 33 -9.369 3.291 -4.127 631 HB2 LEU 33 2HB LEU 33 -9.830 5.760 -2.448 632 HB3 LEU 33 1HB LEU 33 -11.092 4.745 -3.117 633 HG LEU 33 HG LEU 33 -9.032 3.772 -1.136 634 HD11 LEU 33 1HD1 LEU 33 -10.799 3.917 0.537 635 HD12 LEU 33 2HD1 LEU 33 -11.870 4.664 -0.650 636 HD13 LEU 33 3HD1 LEU 33 -10.409 5.504 -0.127 637 HD21 LEU 33 3HD2 LEU 33 -10.521 1.883 -0.869 638 HD22 LEU 33 1HD2 LEU 33 -10.035 2.039 -2.557 639 HD23 LEU 33 2HD2 LEU 33 -11.641 2.563 -2.049 640 H GLN 34 H GLN 34 -7.495 5.973 -4.847 641 HA GLN 34 HA GLN 34 -9.433 7.116 -6.711 642 HB2 GLN 34 2HB GLN 34 -6.596 8.016 -6.201 643 HB3 GLN 34 1HB GLN 34 -7.865 8.913 -7.022 644 HG2 GLN 34 2HG GLN 34 -7.792 8.183 -4.102 645 HG3 GLN 34 1HG GLN 34 -7.513 9.779 -4.797 646 HE21 GLN 34 1HE2 GLN 34 -9.542 8.684 -2.894 647 HE22 GLN 34 2HE2 GLN 34 -11.076 9.149 -3.557 648 H THR 35 H THR 35 -6.330 5.433 -6.682 649 HA THR 35 HA THR 35 -6.186 5.473 -9.581 650 HB THR 35 HB THR 35 -4.085 4.019 -9.059 651 HG1 THR 35 1HG THR 35 -3.281 4.451 -6.922 652 HG21 THR 35 3HG2 THR 35 -4.011 6.331 -9.862 653 HG22 THR 35 1HG2 THR 35 -2.772 6.045 -8.638 654 HG23 THR 35 2HG2 THR 35 -4.246 6.917 -8.214 655 H LYS 36 H LYS 36 -6.732 3.121 -6.985 656 HA LYS 36 HA LYS 36 -7.112 1.030 -9.008 657 HB2 LYS 36 2HB LYS 36 -6.715 0.953 -6.025 658 HB3 LYS 36 1HB LYS 36 -7.317 -0.447 -6.903 659 HG2 LYS 36 2HG LYS 36 -5.141 -0.977 -7.056 660 HG3 LYS 36 1HG LYS 36 -5.150 0.170 -8.395 661 HD2 LYS 36 2HD LYS 36 -4.468 1.955 -6.821 662 HD3 LYS 36 1HD LYS 36 -4.366 0.747 -5.539 663 HE2 LYS 36 2HE LYS 36 -2.217 0.580 -6.160 664 HE3 LYS 36 1HE LYS 36 -2.852 -0.404 -7.478 665 HZ1 LYS 36 3HZ LYS 36 -1.411 1.234 -8.381 666 HZ2 LYS 36 1HZ LYS 36 -2.191 2.492 -7.559 667 HZ3 LYS 36 2HZ LYS 36 -2.986 1.663 -8.805 668 H ASN 37 H ASN 37 -8.942 3.349 -7.984 669 HA ASN 37 HA ASN 37 -11.176 3.736 -7.961 670 HB2 ASN 37 2HB ASN 37 -11.195 1.997 -9.790 671 HB3 ASN 37 1HB ASN 37 -11.569 0.796 -8.559 672 HD21 ASN 37 1HD2 ASN 37 -13.558 0.279 -9.427 673 HD22 ASN 37 2HD2 ASN 37 -14.909 1.358 -9.360 674 H TYR 38 H TYR 38 -13.247 3.049 -6.791 675 HA TYR 38 HA TYR 38 -12.533 2.491 -4.041 676 HB2 TYR 38 2HB TYR 38 -15.149 3.276 -5.339 677 HB3 TYR 38 1HB TYR 38 -14.950 3.026 -3.610 678 HD1 TYR 38 2HD TYR 38 -13.973 5.158 -6.461 679 HD2 TYR 38 1HD TYR 38 -13.980 4.708 -2.230 680 HE1 TYR 38 2HE TYR 38 -13.295 7.511 -6.215 681 HE2 TYR 38 1HE TYR 38 -13.306 7.056 -1.974 682 HH TYR 38 HH TYR 38 -13.402 9.293 -4.530 683 H ASP 39 H ASP 39 -12.268 0.297 -5.852 684 HA ASP 39 HA ASP 39 -14.530 -1.448 -5.296 685 HB2 ASP 39 2HB ASP 39 -13.358 -1.389 -7.553 686 HB3 ASP 39 1HB ASP 39 -11.991 -2.168 -6.762 687 H ILE 40 H ILE 40 -14.582 -2.351 -3.383 688 HA ILE 40 HA ILE 40 -12.446 -2.585 -1.596 689 HB ILE 40 HB ILE 40 -14.993 -4.215 -1.639 690 HG12 ILE 40 2HG1 ILE 40 -14.421 -1.645 -0.149 691 HG13 ILE 40 1HG1 ILE 40 -15.289 -1.714 -1.679 692 HG21 ILE 40 1HG2 ILE 40 -13.125 -5.039 -0.162 693 HG22 ILE 40 2HG2 ILE 40 -14.630 -4.644 0.670 694 HG23 ILE 40 3HG2 ILE 40 -13.270 -3.524 0.732 695 HD11 ILE 40 3HD1 ILE 40 -16.150 -3.093 0.846 696 HD12 ILE 40 1HD1 ILE 40 -17.044 -3.017 -0.671 697 HD13 ILE 40 2HD1 ILE 40 -16.774 -1.549 0.267 698 H GLY 41 H GLY 41 -13.827 -4.939 -3.854 699 HA2 GLY 41 2HA GLY 41 -12.360 -7.188 -3.030 700 HA3 GLY 41 1HA GLY 41 -13.035 -6.944 -4.634 701 H ALA 42 H ALA 42 -11.669 -4.843 -5.609 702 HA ALA 42 HA ALA 42 -9.209 -5.995 -6.380 703 HB1 ALA 42 1HB ALA 42 -8.808 -3.932 -7.587 704 HB2 ALA 42 2HB ALA 42 -10.081 -3.122 -6.675 705 HB3 ALA 42 3HB ALA 42 -10.487 -4.429 -7.786 706 H ALA 43 H ALA 43 -10.023 -3.464 -4.063 707 HA ALA 43 HA ALA 43 -7.403 -2.642 -3.444 708 HB1 ALA 43 1HB ALA 43 -9.881 -2.565 -1.728 709 HB2 ALA 43 2HB ALA 43 -9.354 -1.317 -2.856 710 HB3 ALA 43 3HB ALA 43 -8.394 -1.671 -1.420 711 H LEU 44 H LEU 44 -9.512 -5.042 -1.921 712 HA LEU 44 HA LEU 44 -7.807 -5.763 0.189 713 HB2 LEU 44 2HB LEU 44 -10.250 -6.283 -0.075 714 HB3 LEU 44 1HB LEU 44 -9.802 -7.525 -1.230 715 HG LEU 44 HG LEU 44 -8.465 -8.619 0.594 716 HD11 LEU 44 1HD1 LEU 44 -9.015 -8.008 2.910 717 HD12 LEU 44 2HD1 LEU 44 -9.912 -6.609 2.316 718 HD13 LEU 44 3HD1 LEU 44 -8.170 -6.714 2.064 719 HD21 LEU 44 3HD2 LEU 44 -10.688 -9.402 -0.066 720 HD22 LEU 44 1HD2 LEU 44 -11.421 -8.291 1.093 721 HD23 LEU 44 2HD2 LEU 44 -10.409 -9.618 1.661 722 H ASP 45 H ASP 45 -8.118 -6.979 -3.093 723 HA ASP 45 HA ASP 45 -6.234 -9.114 -2.751 724 HB2 ASP 45 2HB ASP 45 -8.166 -9.038 -4.407 725 HB3 ASP 45 1HB ASP 45 -7.191 -7.930 -5.360 726 H THR 46 H THR 46 -5.812 -5.819 -3.006 727 HA THR 46 HA THR 46 -3.582 -5.699 -4.764 728 HB THR 46 HB THR 46 -4.495 -3.770 -2.613 729 HG1 THR 46 1HG THR 46 -5.912 -4.069 -4.448 730 HG21 THR 46 3HG2 THR 46 -3.041 -2.128 -3.619 731 HG22 THR 46 1HG2 THR 46 -2.502 -3.287 -4.834 732 HG23 THR 46 2HG2 THR 46 -2.082 -3.524 -3.138 733 H ILE 47 H ILE 47 -3.862 -6.273 -1.280 734 HA ILE 47 HA ILE 47 -0.917 -6.401 -1.179 735 HB ILE 47 HB ILE 47 -1.082 -6.015 1.247 736 HG12 ILE 47 2HG1 ILE 47 -3.994 -5.401 0.722 737 HG13 ILE 47 1HG1 ILE 47 -3.424 -6.890 1.463 738 HG21 ILE 47 1HG2 ILE 47 -2.449 -3.879 -0.384 739 HG22 ILE 47 2HG2 ILE 47 -0.710 -4.164 -0.343 740 HG23 ILE 47 3HG2 ILE 47 -1.554 -3.648 1.118 741 HD11 ILE 47 3HD1 ILE 47 -4.166 -5.403 3.177 742 HD12 ILE 47 1HD1 ILE 47 -3.145 -4.107 2.555 743 HD13 ILE 47 2HD1 ILE 47 -2.411 -5.538 3.273 744 H GLN 48 H GLN 48 -3.127 -8.525 -1.728 745 HA GLN 48 HA GLN 48 -3.261 -10.780 -1.519 746 HB2 GLN 48 2HB GLN 48 -0.600 -10.218 -0.479 747 HB3 GLN 48 1HB GLN 48 -1.322 -11.642 0.261 748 HG2 GLN 48 2HG GLN 48 -1.133 -11.206 -2.708 749 HG3 GLN 48 1HG GLN 48 0.063 -12.087 -1.759 750 HE21 GLN 48 1HE2 GLN 48 -1.728 -12.937 -3.938 751 HE22 GLN 48 2HE2 GLN 48 -2.607 -14.288 -3.316 752 H TYR 49 H TYR 49 -2.746 -9.058 1.525 753 HA TYR 49 HA TYR 49 -3.869 -11.002 3.226 754 HB2 TYR 49 2HB TYR 49 -3.759 -7.994 3.543 755 HB3 TYR 49 1HB TYR 49 -4.190 -9.121 4.823 756 HD1 TYR 49 2HD TYR 49 -2.463 -10.749 5.641 757 HD2 TYR 49 1HD TYR 49 -1.492 -7.543 3.025 758 HE1 TYR 49 2HE TYR 49 -0.088 -10.990 6.236 759 HE2 TYR 49 1HE TYR 49 0.879 -7.766 3.620 760 HH TYR 49 HH TYR 49 2.362 -8.758 4.955 761 H SER 50 H SER 50 -5.725 -11.812 2.244 762 HA SER 50 HA SER 50 -8.023 -9.975 2.185 763 HB2 SER 50 2HB SER 50 -7.863 -12.605 0.714 764 HB3 SER 50 1HB SER 50 -8.972 -11.264 0.435 765 HG SER 50 HG SER 50 -6.447 -10.393 0.197 766 H LYS 51 H LYS 51 -7.117 -13.366 2.805 767 HA LYS 51 HA LYS 51 -9.533 -13.912 4.238 768 HB2 LYS 51 2HB LYS 51 -6.934 -15.432 3.977 769 HB3 LYS 51 1HB LYS 51 -8.296 -16.019 4.918 770 HG2 LYS 51 2HG LYS 51 -9.678 -15.849 2.826 771 HG3 LYS 51 1HG LYS 51 -8.176 -15.546 1.953 772 HD2 LYS 51 2HD LYS 51 -8.681 -17.882 1.784 773 HD3 LYS 51 1HD LYS 51 -7.303 -17.698 2.868 774 HE2 LYS 51 2HE LYS 51 -9.598 -17.549 4.482 775 HE3 LYS 51 1HE LYS 51 -9.865 -18.885 3.366 776 HZ1 LYS 51 3HZ LYS 51 -7.413 -18.568 5.004 777 HZ2 LYS 51 1HZ LYS 51 -7.853 -19.908 4.070 778 HZ3 LYS 51 2HZ LYS 51 -8.737 -19.520 5.455 779 H HIS 52 H HIS 52 -6.223 -13.085 5.104 780 HA HIS 52 HA HIS 52 -7.079 -12.061 7.643 781 HB2 HIS 52 2HB HIS 52 -5.981 -14.732 7.491 782 HB3 HIS 52 1HB HIS 52 -4.930 -13.680 8.432 783 HD1 HIS 52 1HD HIS 52 -6.244 -12.332 10.432 784 HD2 HIS 52 2HD HIS 52 -8.093 -15.716 8.887 785 HE1 HIS 52 1HE HIS 52 -7.949 -13.009 12.146 786 HE2 HIS 52 2HE HIS 52 -9.132 -14.987 11.136 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 18.825 20.062 -2.414 2 H2 GLY 1 2HT GLY 1 17.550 18.964 -2.257 3 H3 GLY 1 3HT GLY 1 17.666 19.935 -3.634 4 HA2 GLY 1 1HA GLY 1 18.394 17.799 -4.271 5 HA3 GLY 1 2HA GLY 1 19.813 18.830 -4.161 6 H SER 2 H SER 2 20.650 16.469 -4.038 7 HA SER 2 HA SER 2 20.474 15.362 -1.352 8 HB2 SER 2 2HB SER 2 22.084 14.263 -3.653 9 HB3 SER 2 1HB SER 2 21.481 13.404 -2.235 10 HG SER 2 HG SER 2 20.274 13.801 -4.598 11 HA PRO 3 HA PRO 3 24.291 17.636 -0.504 12 HB2 PRO 3 2HB PRO 3 23.857 17.021 2.280 13 HB3 PRO 3 1HB PRO 3 23.701 18.580 1.468 14 HG2 PRO 3 2HG PRO 3 21.591 17.178 2.513 15 HG3 PRO 3 1HG PRO 3 21.454 18.354 1.197 16 HD2 PRO 3 2HD PRO 3 21.526 15.367 1.071 17 HD3 PRO 3 1HD PRO 3 20.559 16.519 0.125 18 HA PRO 4 HA PRO 4 27.263 14.397 0.093 19 HB2 PRO 4 2HB PRO 4 28.741 16.094 2.006 20 HB3 PRO 4 1HB PRO 4 29.258 15.446 0.447 21 HG2 PRO 4 2HG PRO 4 28.712 18.051 0.765 22 HG3 PRO 4 1HG PRO 4 28.326 17.197 -0.738 23 HD2 PRO 4 2HD PRO 4 26.518 17.982 1.510 24 HD3 PRO 4 1HD PRO 4 26.233 18.045 -0.242 25 H GLU 5 H GLU 5 25.664 15.823 2.780 26 HA GLU 5 HA GLU 5 26.659 14.081 4.814 27 HB2 GLU 5 2HB GLU 5 24.170 15.793 4.733 28 HB3 GLU 5 1HB GLU 5 24.827 15.021 6.171 29 HG2 GLU 5 2HG GLU 5 26.511 16.901 4.573 30 HG3 GLU 5 1HG GLU 5 25.320 17.518 5.713 31 H ALA 6 H ALA 6 24.373 13.761 2.315 32 HA ALA 6 HA ALA 6 22.640 11.890 3.606 33 HB1 ALA 6 1HB ALA 6 23.039 12.503 0.681 34 HB2 ALA 6 2HB ALA 6 21.819 13.205 1.746 35 HB3 ALA 6 3HB ALA 6 21.756 11.489 1.341 36 H ASP 7 H ASP 7 22.919 9.791 3.882 37 HA ASP 7 HA ASP 7 25.361 8.502 3.349 38 HB2 ASP 7 2HB ASP 7 23.643 7.941 5.151 39 HB3 ASP 7 1HB ASP 7 22.733 7.121 3.891 40 HA PRO 8 HA PRO 8 24.639 7.640 -0.979 41 HB2 PRO 8 2HB PRO 8 26.832 6.045 -1.331 42 HB3 PRO 8 1HB PRO 8 26.894 7.808 -1.315 43 HG2 PRO 8 2HG PRO 8 27.519 5.872 0.882 44 HG3 PRO 8 1HG PRO 8 28.386 7.344 0.403 45 HD2 PRO 8 2HD PRO 8 26.726 7.286 2.520 46 HD3 PRO 8 1HD PRO 8 26.894 8.729 1.497 47 H ARG 9 H ARG 9 24.821 5.318 1.565 48 HA ARG 9 HA ARG 9 24.017 3.133 -0.194 49 HB2 ARG 9 2HB ARG 9 24.539 3.144 2.784 50 HB3 ARG 9 1HB ARG 9 24.244 1.719 1.804 51 HG2 ARG 9 2HG ARG 9 26.325 1.742 0.880 52 HG3 ARG 9 1HG ARG 9 26.486 3.494 1.028 53 HD2 ARG 9 2HD ARG 9 26.569 1.553 3.336 54 HD3 ARG 9 1HD ARG 9 27.986 2.244 2.548 55 HE ARG 9 HE ARG 9 25.987 4.034 3.745 56 HH11 ARG 9 1HH1 ARG 9 29.237 2.708 3.715 57 HH12 ARG 9 2HH1 ARG 9 29.850 3.867 4.848 58 HH21 ARG 9 1HH2 ARG 9 26.802 5.556 5.236 59 HH22 ARG 9 2HH2 ARG 9 28.479 5.486 5.706 60 H LEU 10 H LEU 10 22.814 5.090 2.472 61 HA LEU 10 HA LEU 10 20.334 3.740 2.744 62 HB2 LEU 10 2HB LEU 10 21.380 5.221 4.471 63 HB3 LEU 10 1HB LEU 10 20.955 6.598 3.473 64 HG LEU 10 HG LEU 10 18.554 5.963 3.698 65 HD11 LEU 10 1HD1 LEU 10 17.945 4.405 5.507 66 HD12 LEU 10 2HD1 LEU 10 19.646 3.972 5.682 67 HD13 LEU 10 3HD1 LEU 10 18.792 3.604 4.183 68 HD21 LEU 10 3HD2 LEU 10 20.042 6.454 6.275 69 HD22 LEU 10 1HD2 LEU 10 18.330 6.773 5.993 70 HD23 LEU 10 2HD2 LEU 10 19.554 7.683 5.107 71 H ILE 11 H ILE 11 21.389 6.501 0.817 72 HA ILE 11 HA ILE 11 18.799 7.291 -0.031 73 HB ILE 11 HB ILE 11 20.880 8.707 -0.161 74 HG12 ILE 11 2HG1 ILE 11 19.324 8.442 -2.746 75 HG13 ILE 11 1HG1 ILE 11 18.749 9.279 -1.305 76 HG21 ILE 11 1HG2 ILE 11 22.256 8.508 -2.198 77 HG22 ILE 11 2HG2 ILE 11 21.424 7.001 -2.590 78 HG23 ILE 11 3HG2 ILE 11 22.410 7.112 -1.131 79 HD11 ILE 11 3HD1 ILE 11 21.147 10.025 -2.970 80 HD12 ILE 11 1HD1 ILE 11 20.626 10.852 -1.501 81 HD13 ILE 11 2HD1 ILE 11 19.593 10.855 -2.929 82 H GLU 12 H GLU 12 20.885 4.729 -0.964 83 HA GLU 12 HA GLU 12 19.866 4.354 -3.602 84 HB2 GLU 12 2HB GLU 12 21.746 2.959 -1.804 85 HB3 GLU 12 1HB GLU 12 20.931 1.944 -2.987 86 HG2 GLU 12 2HG GLU 12 22.390 4.466 -3.715 87 HG3 GLU 12 1HG GLU 12 23.151 2.876 -3.691 88 H SER 13 H SER 13 18.604 3.684 -0.538 89 HA SER 13 HA SER 13 17.257 1.268 -0.958 90 HB2 SER 13 2HB SER 13 16.249 3.587 0.702 91 HB3 SER 13 1HB SER 13 15.869 1.878 0.916 92 HG SER 13 HG SER 13 18.176 3.297 1.590 93 H LEU 14 H LEU 14 16.418 4.567 -1.876 94 HA LEU 14 HA LEU 14 13.735 4.002 -2.640 95 HB2 LEU 14 2HB LEU 14 15.636 6.228 -3.349 96 HB3 LEU 14 1HB LEU 14 14.010 6.147 -3.994 97 HG LEU 14 HG LEU 14 13.422 5.957 -1.386 98 HD11 LEU 14 1HD1 LEU 14 14.856 7.517 -0.130 99 HD12 LEU 14 2HD1 LEU 14 15.970 7.569 -1.495 100 HD13 LEU 14 3HD1 LEU 14 15.719 6.058 -0.621 101 HD21 LEU 14 3HD2 LEU 14 13.999 8.530 -2.850 102 HD22 LEU 14 1HD2 LEU 14 12.956 8.351 -1.441 103 HD23 LEU 14 2HD2 LEU 14 12.514 7.586 -2.968 104 H SER 15 H SER 15 16.759 4.329 -4.471 105 HA SER 15 HA SER 15 15.659 3.729 -6.990 106 HB2 SER 15 2HB SER 15 18.385 2.898 -6.885 107 HB3 SER 15 1HB SER 15 17.724 4.388 -7.563 108 HG SER 15 HG SER 15 19.336 4.358 -5.637 109 H GLN 16 H GLN 16 16.918 1.748 -4.392 110 HA GLN 16 HA GLN 16 17.196 -0.694 -5.723 111 HB2 GLN 16 2HB GLN 16 18.013 -0.312 -3.442 112 HB3 GLN 16 1HB GLN 16 16.359 -0.173 -2.860 113 HG2 GLN 16 2HG GLN 16 17.105 -2.336 -2.288 114 HG3 GLN 16 1HG GLN 16 15.995 -2.530 -3.643 115 HE21 GLN 16 1HE2 GLN 16 16.853 -4.493 -4.266 116 HE22 GLN 16 2HE2 GLN 16 18.409 -4.637 -5.001 117 H MET 17 H MET 17 14.396 0.715 -4.058 118 HA MET 17 HA MET 17 12.633 -1.440 -4.504 119 HB2 MET 17 2HB MET 17 12.028 1.500 -4.117 120 HB3 MET 17 1HB MET 17 10.829 0.218 -4.070 121 HG2 MET 17 2HG MET 17 13.171 0.480 -2.199 122 HG3 MET 17 1HG MET 17 11.513 0.954 -1.835 123 HE1 MET 17 3HE MET 17 9.622 -0.640 -1.180 124 HE2 MET 17 1HE MET 17 9.621 -2.372 -1.519 125 HE3 MET 17 2HE MET 17 9.635 -1.215 -2.848 126 H LEU 18 H LEU 18 13.348 1.481 -6.346 127 HA LEU 18 HA LEU 18 11.420 1.177 -8.359 128 HB2 LEU 18 2HB LEU 18 12.897 3.191 -7.864 129 HB3 LEU 18 1HB LEU 18 14.166 2.357 -8.737 130 HG LEU 18 HG LEU 18 12.401 2.259 -10.670 131 HD11 LEU 18 1HD1 LEU 18 11.402 4.573 -9.021 132 HD12 LEU 18 2HD1 LEU 18 10.517 3.096 -9.409 133 HD13 LEU 18 3HD1 LEU 18 10.941 4.231 -10.689 134 HD21 LEU 18 3HD2 LEU 18 13.224 4.434 -11.482 135 HD22 LEU 18 1HD2 LEU 18 14.509 3.431 -10.812 136 HD23 LEU 18 2HD2 LEU 18 13.860 4.775 -9.872 137 H SER 19 H SER 19 14.743 -0.011 -8.100 138 HA SER 19 HA SER 19 14.854 -1.207 -10.668 139 HB2 SER 19 2HB SER 19 16.771 -0.594 -8.996 140 HB3 SER 19 1HB SER 19 16.465 -2.198 -8.332 141 HG SER 19 HG SER 19 16.651 -2.193 -11.061 142 H MET 20 H MET 20 13.566 -2.222 -7.605 143 HA MET 20 HA MET 20 13.425 -5.019 -8.262 144 HB2 MET 20 2HB MET 20 12.401 -3.310 -6.020 145 HB3 MET 20 1HB MET 20 11.804 -4.953 -6.213 146 HG2 MET 20 2HG MET 20 14.732 -4.325 -6.052 147 HG3 MET 20 1HG MET 20 13.740 -4.589 -4.618 148 HE1 MET 20 3HE MET 20 11.771 -6.943 -5.295 149 HE2 MET 20 1HE MET 20 12.773 -6.772 -3.855 150 HE3 MET 20 2HE MET 20 12.780 -8.287 -4.761 151 H GLY 21 H GLY 21 11.782 -2.409 -9.392 152 HA2 GLY 21 2HA GLY 21 10.031 -2.519 -10.957 153 HA3 GLY 21 1HA GLY 21 9.594 -4.101 -10.321 154 H PHE 22 H PHE 22 10.165 -1.770 -7.926 155 HA PHE 22 HA PHE 22 7.285 -1.577 -7.443 156 HB2 PHE 22 2HB PHE 22 9.360 -2.207 -5.744 157 HB3 PHE 22 1HB PHE 22 9.090 -0.506 -5.389 158 HD1 PHE 22 2HD PHE 22 6.632 0.185 -4.921 159 HD2 PHE 22 1HD PHE 22 8.077 -3.809 -4.712 160 HE1 PHE 22 2HE PHE 22 4.729 -0.426 -3.482 161 HE2 PHE 22 1HE PHE 22 6.186 -4.430 -3.270 162 HZ PHE 22 HZ PHE 22 4.506 -2.733 -2.655 163 H SER 23 H SER 23 6.266 0.239 -7.830 164 HA SER 23 HA SER 23 7.617 2.797 -7.587 165 HB2 SER 23 2HB SER 23 6.113 2.063 -10.114 166 HB3 SER 23 1HB SER 23 7.029 3.540 -9.804 167 HG SER 23 HG SER 23 8.768 1.707 -9.408 168 H ASP 24 H ASP 24 6.039 4.597 -7.605 169 HA ASP 24 HA ASP 24 3.372 3.641 -6.815 170 HB2 ASP 24 2HB ASP 24 3.237 5.713 -5.377 171 HB3 ASP 24 1HB ASP 24 4.353 4.474 -4.827 172 H GLU 25 H GLU 25 1.590 4.822 -7.382 173 HA GLU 25 HA GLU 25 1.969 6.550 -9.724 174 HB2 GLU 25 2HB GLU 25 -0.788 5.893 -9.217 175 HB3 GLU 25 1HB GLU 25 0.209 5.466 -10.600 176 HG2 GLU 25 2HG GLU 25 -0.493 3.410 -9.802 177 HG3 GLU 25 1HG GLU 25 1.113 3.583 -9.101 178 H GLY 26 H GLY 26 0.225 6.286 -6.666 179 HA2 GLY 26 2HA GLY 26 -0.626 9.074 -6.837 180 HA3 GLY 26 1HA GLY 26 -1.080 7.919 -5.592 181 H GLY 27 H GLY 27 2.109 7.494 -5.830 182 HA2 GLY 27 2HA GLY 27 3.987 8.440 -4.834 183 HA3 GLY 27 1HA GLY 27 3.012 9.826 -4.377 184 H TRP 28 H TRP 28 2.394 6.420 -3.646 185 HA TRP 28 HA TRP 28 2.333 7.162 -0.828 186 HB2 TRP 28 2HB TRP 28 1.093 5.128 -0.434 187 HB3 TRP 28 1HB TRP 28 0.355 6.031 -1.749 188 HD1 TRP 28 HD TRP 28 0.916 5.012 -4.301 189 HE1 TRP 28 1HE TRP 28 1.110 2.549 -5.018 190 HE3 TRP 28 3HE TRP 28 1.738 2.904 0.282 191 HZ2 TRP 28 2HZ TRP 28 1.551 0.027 -3.782 192 HZ3 TRP 28 3HZ TRP 28 2.033 0.470 0.430 193 HH2 TRP 28 HH TRP 28 1.941 -0.936 -1.560 194 H LEU 29 H LEU 29 4.408 5.611 -3.023 195 HA LEU 29 HA LEU 29 5.546 3.690 -1.248 196 HB2 LEU 29 2HB LEU 29 5.819 3.457 -3.654 197 HB3 LEU 29 1HB LEU 29 6.679 4.984 -3.732 198 HG LEU 29 HG LEU 29 8.467 3.954 -2.295 199 HD11 LEU 29 1HD1 LEU 29 7.129 2.156 -1.320 200 HD12 LEU 29 2HD1 LEU 29 8.558 1.526 -2.140 201 HD13 LEU 29 3HD1 LEU 29 6.973 1.408 -2.908 202 HD21 LEU 29 3HD2 LEU 29 7.883 2.667 -4.958 203 HD22 LEU 29 1HD2 LEU 29 9.445 2.645 -4.137 204 HD23 LEU 29 2HD2 LEU 29 8.756 4.174 -4.692 205 H THR 30 H THR 30 6.378 7.001 -2.171 206 HA THR 30 HA THR 30 8.717 7.169 -0.599 207 HB THR 30 HB THR 30 8.277 8.769 -2.398 208 HG1 THR 30 1HG THR 30 8.603 9.777 0.233 209 HG21 THR 30 3HG2 THR 30 6.083 9.817 -0.607 210 HG22 THR 30 1HG2 THR 30 5.867 9.025 -2.163 211 HG23 THR 30 2HG2 THR 30 6.660 10.601 -2.080 212 H ARG 31 H ARG 31 5.350 7.402 0.173 213 HA ARG 31 HA ARG 31 5.778 8.666 2.735 214 HB2 ARG 31 2HB ARG 31 3.344 7.442 1.436 215 HB3 ARG 31 1HB ARG 31 3.324 8.114 3.058 216 HG2 ARG 31 2HG ARG 31 4.178 9.712 0.668 217 HG3 ARG 31 1HG ARG 31 2.498 9.599 1.188 218 HD2 ARG 31 2HD ARG 31 4.670 10.421 3.084 219 HD3 ARG 31 1HD ARG 31 3.903 11.589 2.012 220 HE ARG 31 HE ARG 31 1.878 10.206 3.345 221 HH11 ARG 31 1HH1 ARG 31 4.467 12.439 4.088 222 HH12 ARG 31 2HH1 ARG 31 3.658 13.117 5.463 223 HH21 ARG 31 1HH2 ARG 31 0.807 11.108 5.170 224 HH22 ARG 31 2HH2 ARG 31 1.589 12.360 6.078 225 H LEU 32 H LEU 32 5.334 5.453 1.433 226 HA LEU 32 HA LEU 32 4.951 4.112 3.899 227 HB2 LEU 32 2HB LEU 32 4.357 3.183 1.672 228 HB3 LEU 32 1HB LEU 32 6.067 3.029 1.313 229 HG LEU 32 HG LEU 32 6.236 1.481 3.309 230 HD11 LEU 32 1HD1 LEU 32 4.215 2.143 4.463 231 HD12 LEU 32 2HD1 LEU 32 4.142 0.431 4.048 232 HD13 LEU 32 3HD1 LEU 32 3.231 1.610 3.102 233 HD21 LEU 32 3HD2 LEU 32 5.301 -0.434 2.091 234 HD22 LEU 32 1HD2 LEU 32 6.214 0.641 1.031 235 HD23 LEU 32 2HD2 LEU 32 4.452 0.676 1.015 236 H LEU 33 H LEU 33 7.788 4.858 1.942 237 HA LEU 33 HA LEU 33 9.656 3.419 3.521 238 HB2 LEU 33 2HB LEU 33 10.006 5.758 1.650 239 HB3 LEU 33 1HB LEU 33 11.338 4.881 2.372 240 HG LEU 33 HG LEU 33 9.281 3.607 0.569 241 HD11 LEU 33 1HD1 LEU 33 10.538 5.307 -0.648 242 HD12 LEU 33 2HD1 LEU 33 11.014 3.686 -1.157 243 HD13 LEU 33 3HD1 LEU 33 12.053 4.606 -0.072 244 HD21 LEU 33 3HD2 LEU 33 10.385 2.048 2.083 245 HD22 LEU 33 1HD2 LEU 33 11.959 2.655 1.572 246 HD23 LEU 33 2HD2 LEU 33 10.929 1.800 0.424 247 H GLN 34 H GLN 34 7.941 6.271 4.077 248 HA GLN 34 HA GLN 34 9.928 7.350 5.919 249 HB2 GLN 34 2HB GLN 34 7.364 8.376 4.759 250 HB3 GLN 34 1HB GLN 34 7.991 9.087 6.241 251 HG2 GLN 34 2HG GLN 34 9.544 8.889 3.669 252 HG3 GLN 34 1HG GLN 34 8.624 10.304 4.181 253 HE21 GLN 34 1HE2 GLN 34 11.469 8.398 4.698 254 HE22 GLN 34 2HE2 GLN 34 12.261 9.503 5.766 255 H THR 35 H THR 35 6.877 5.628 5.925 256 HA THR 35 HA THR 35 6.540 6.016 8.790 257 HB THR 35 HB THR 35 4.593 4.281 8.257 258 HG1 THR 35 1HG THR 35 4.757 5.647 5.774 259 HG21 THR 35 3HG2 THR 35 4.441 7.182 7.422 260 HG22 THR 35 1HG2 THR 35 4.377 6.609 9.090 261 HG23 THR 35 2HG2 THR 35 3.106 6.156 7.956 262 H LYS 36 H LYS 36 7.183 3.348 6.537 263 HA LYS 36 HA LYS 36 7.690 1.573 8.816 264 HB2 LYS 36 2HB LYS 36 6.245 1.041 6.676 265 HB3 LYS 36 1HB LYS 36 7.807 0.668 5.971 266 HG2 LYS 36 2HG LYS 36 8.192 -1.097 7.464 267 HG3 LYS 36 1HG LYS 36 6.908 -0.566 8.550 268 HD2 LYS 36 2HD LYS 36 5.222 -1.155 6.926 269 HD3 LYS 36 1HD LYS 36 6.466 -1.553 5.736 270 HE2 LYS 36 2HE LYS 36 5.669 -3.598 6.651 271 HE3 LYS 36 1HE LYS 36 7.277 -3.322 7.307 272 HZ1 LYS 36 3HZ LYS 36 6.380 -3.609 9.296 273 HZ2 LYS 36 1HZ LYS 36 4.804 -3.599 8.675 274 HZ3 LYS 36 2HZ LYS 36 5.558 -2.146 9.093 275 H ASN 37 H ASN 37 9.423 3.785 7.490 276 HA ASN 37 HA ASN 37 11.648 4.236 7.349 277 HB2 ASN 37 2HB ASN 37 11.777 2.616 9.321 278 HB3 ASN 37 1HB ASN 37 12.227 1.382 8.151 279 HD21 ASN 37 1HD2 ASN 37 14.283 1.018 8.772 280 HD22 ASN 37 2HD2 ASN 37 15.531 2.221 8.741 281 H TYR 38 H TYR 38 13.719 3.407 6.184 282 HA TYR 38 HA TYR 38 12.906 2.656 3.516 283 HB2 TYR 38 2HB TYR 38 15.614 3.366 4.664 284 HB3 TYR 38 1HB TYR 38 15.301 3.065 2.961 285 HD1 TYR 38 1HD TYR 38 13.766 4.613 1.710 286 HD2 TYR 38 2HD TYR 38 15.175 5.484 5.630 287 HE1 TYR 38 1HE TYR 38 13.184 6.980 1.387 288 HE2 TYR 38 2HE TYR 38 14.598 7.855 5.317 289 HH TYR 38 HH TYR 38 14.202 9.441 3.566 290 H ASP 39 H ASP 39 12.602 0.637 5.511 291 HA ASP 39 HA ASP 39 14.748 -1.266 5.099 292 HB2 ASP 39 2HB ASP 39 12.428 -1.025 6.898 293 HB3 ASP 39 1HB ASP 39 12.805 -2.669 6.390 294 H ILE 40 H ILE 40 14.809 -2.111 3.154 295 HA ILE 40 HA ILE 40 12.701 -2.485 1.372 296 HB ILE 40 HB ILE 40 15.245 -4.108 1.509 297 HG12 ILE 40 2HG1 ILE 40 14.922 -1.709 -0.245 298 HG13 ILE 40 1HG1 ILE 40 15.292 -1.456 1.458 299 HG21 ILE 40 1HG2 ILE 40 13.602 -5.047 -0.017 300 HG22 ILE 40 2HG2 ILE 40 14.942 -4.339 -0.919 301 HG23 ILE 40 3HG2 ILE 40 13.409 -3.478 -0.800 302 HD11 ILE 40 3HD1 ILE 40 16.926 -3.174 -0.391 303 HD12 ILE 40 1HD1 ILE 40 17.328 -2.692 1.257 304 HD13 ILE 40 2HD1 ILE 40 17.270 -1.482 -0.026 305 H GLY 41 H GLY 41 14.173 -4.792 3.644 306 HA2 GLY 41 2HA GLY 41 12.670 -7.045 2.892 307 HA3 GLY 41 1HA GLY 41 13.441 -6.813 4.452 308 H ALA 42 H ALA 42 11.959 -4.476 5.199 309 HA ALA 42 HA ALA 42 9.667 -5.760 6.302 310 HB1 ALA 42 1HB ALA 42 9.241 -3.644 7.404 311 HB2 ALA 42 2HB ALA 42 10.397 -2.834 6.350 312 HB3 ALA 42 3HB ALA 42 10.955 -4.043 7.506 313 H ALA 43 H ALA 43 10.146 -3.251 3.850 314 HA ALA 43 HA ALA 43 7.424 -2.734 3.340 315 HB1 ALA 43 1HB ALA 43 9.744 -2.430 1.441 316 HB2 ALA 43 2HB ALA 43 9.283 -1.253 2.671 317 HB3 ALA 43 3HB ALA 43 8.185 -1.614 1.340 318 H LEU 44 H LEU 44 9.671 -5.047 1.936 319 HA LEU 44 HA LEU 44 8.061 -5.879 -0.209 320 HB2 LEU 44 2HB LEU 44 10.508 -6.284 0.112 321 HB3 LEU 44 1HB LEU 44 10.094 -7.516 1.290 322 HG LEU 44 HG LEU 44 8.815 -8.698 -0.536 323 HD11 LEU 44 1HD1 LEU 44 9.422 -8.114 -2.855 324 HD12 LEU 44 2HD1 LEU 44 10.226 -6.662 -2.256 325 HD13 LEU 44 3HD1 LEU 44 8.484 -6.855 -2.051 326 HD21 LEU 44 3HD2 LEU 44 11.001 -9.491 0.141 327 HD22 LEU 44 1HD2 LEU 44 11.786 -8.316 -0.917 328 HD23 LEU 44 2HD2 LEU 44 10.830 -9.627 -1.609 329 H ASP 45 H ASP 45 8.262 -6.986 3.124 330 HA ASP 45 HA ASP 45 6.484 -9.207 2.674 331 HB2 ASP 45 2HB ASP 45 8.411 -8.905 4.458 332 HB3 ASP 45 1HB ASP 45 7.127 -8.175 5.417 333 H THR 46 H THR 46 6.022 -5.921 3.046 334 HA THR 46 HA THR 46 3.787 -5.840 4.775 335 HB THR 46 HB THR 46 4.593 -3.921 2.572 336 HG1 THR 46 1HG THR 46 6.108 -4.280 4.351 337 HG21 THR 46 3HG2 THR 46 3.235 -2.272 3.773 338 HG22 THR 46 1HG2 THR 46 2.739 -3.511 4.927 339 HG23 THR 46 2HG2 THR 46 2.247 -3.631 3.238 340 H ILE 47 H ILE 47 4.070 -6.437 1.308 341 HA ILE 47 HA ILE 47 1.137 -6.531 1.171 342 HB ILE 47 HB ILE 47 1.307 -6.191 -1.225 343 HG12 ILE 47 2HG1 ILE 47 4.271 -5.743 -0.886 344 HG13 ILE 47 1HG1 ILE 47 3.616 -7.305 -1.373 345 HG21 ILE 47 1HG2 ILE 47 2.084 -3.879 -1.220 346 HG22 ILE 47 2HG2 ILE 47 2.893 -4.144 0.322 347 HG23 ILE 47 3HG2 ILE 47 1.133 -4.232 0.223 348 HD11 ILE 47 3HD1 ILE 47 2.536 -6.186 -3.297 349 HD12 ILE 47 1HD1 ILE 47 4.297 -6.093 -3.326 350 HD13 ILE 47 2HD1 ILE 47 3.349 -4.691 -2.836 351 H GLN 48 H GLN 48 3.217 -8.660 1.912 352 HA GLN 48 HA GLN 48 3.345 -10.917 1.823 353 HB2 GLN 48 2HB GLN 48 0.708 -10.358 0.918 354 HB3 GLN 48 1HB GLN 48 1.347 -11.675 -0.054 355 HG2 GLN 48 2HG GLN 48 1.269 -11.605 2.953 356 HG3 GLN 48 1HG GLN 48 0.138 -12.469 1.911 357 HE21 GLN 48 1HE2 GLN 48 2.174 -13.270 3.988 358 HE22 GLN 48 2HE2 GLN 48 3.091 -14.519 3.221 359 H TYR 49 H TYR 49 2.821 -9.485 -1.387 360 HA TYR 49 HA TYR 49 3.968 -11.599 -2.859 361 HB2 TYR 49 2HB TYR 49 3.645 -8.674 -3.526 362 HB3 TYR 49 1HB TYR 49 4.222 -9.875 -4.671 363 HD1 TYR 49 2HD TYR 49 2.661 -11.919 -5.062 364 HD2 TYR 49 1HD TYR 49 1.358 -8.231 -3.385 365 HE1 TYR 49 2HE TYR 49 0.346 -12.461 -5.683 366 HE2 TYR 49 1HE TYR 49 -0.961 -8.767 -4.007 367 HH TYR 49 HH TYR 49 -2.228 -10.136 -5.415 368 H SER 50 H SER 50 5.876 -12.171 -1.709 369 HA SER 50 HA SER 50 8.122 -10.308 -2.105 370 HB2 SER 50 2HB SER 50 8.719 -12.588 -0.403 371 HB3 SER 50 1HB SER 50 8.876 -10.866 -0.060 372 HG SER 50 HG SER 50 6.322 -11.293 -0.018 373 H LYS 51 H LYS 51 6.743 -13.216 -3.147 374 HA LYS 51 HA LYS 51 9.290 -14.118 -4.311 375 HB2 LYS 51 2HB LYS 51 6.755 -15.723 -3.932 376 HB3 LYS 51 1HB LYS 51 8.306 -16.329 -4.500 377 HG2 LYS 51 2HG LYS 51 9.288 -16.099 -2.373 378 HG3 LYS 51 1HG LYS 51 7.966 -15.088 -1.790 379 HD2 LYS 51 2HD LYS 51 7.588 -17.186 -0.823 380 HD3 LYS 51 1HD LYS 51 6.467 -17.112 -2.180 381 HE2 LYS 51 2HE LYS 51 8.077 -18.401 -3.537 382 HE3 LYS 51 1HE LYS 51 9.133 -18.518 -2.130 383 HZ1 LYS 51 3HZ LYS 51 7.866 -20.515 -2.293 384 HZ2 LYS 51 1HZ LYS 51 6.407 -19.661 -2.402 385 HZ3 LYS 51 2HZ LYS 51 7.289 -19.648 -0.961 386 H HIS 52 H HIS 52 5.869 -14.600 -5.172 387 HA HIS 52 HA HIS 52 6.024 -13.066 -7.568 388 HB2 HIS 52 2HB HIS 52 7.266 -15.339 -8.021 389 HB3 HIS 52 1HB HIS 52 5.638 -16.002 -8.071 390 HD1 HIS 52 1HD HIS 52 4.224 -13.728 -9.591 391 HD2 HIS 52 2HD HIS 52 7.902 -15.332 -10.671 392 HE1 HIS 52 1HE HIS 52 4.483 -13.243 -12.045 393 HE2 HIS 52 2HE HIS 52 6.619 -14.397 -12.710 394 H1 GLY 1 1HT GLY 1 -18.605 19.786 1.103 395 H2 GLY 1 2HT GLY 1 -17.114 18.993 1.156 396 H3 GLY 1 3HT GLY 1 -17.463 20.204 2.279 397 HA2 GLY 1 1HA GLY 1 -17.638 17.968 3.235 398 HA3 GLY 1 2HA GLY 1 -19.136 18.886 3.320 399 H SER 2 H SER 2 -20.362 16.986 3.466 400 HA SER 2 HA SER 2 -20.355 15.258 1.103 401 HB2 SER 2 2HB SER 2 -21.875 14.827 3.676 402 HB3 SER 2 1HB SER 2 -21.485 13.633 2.438 403 HG SER 2 HG SER 2 -20.141 13.756 4.458 404 HA PRO 3 HA PRO 3 -24.071 17.606 0.112 405 HB2 PRO 3 2HB PRO 3 -23.877 17.428 -2.541 406 HB3 PRO 3 1HB PRO 3 -22.801 18.485 -1.620 407 HG2 PRO 3 2HG PRO 3 -22.262 15.800 -2.806 408 HG3 PRO 3 1HG PRO 3 -21.201 17.216 -2.702 409 HD2 PRO 3 2HD PRO 3 -21.154 15.018 -0.986 410 HD3 PRO 3 1HD PRO 3 -20.428 16.602 -0.655 411 HA PRO 4 HA PRO 4 -27.003 14.313 -0.438 412 HB2 PRO 4 2HB PRO 4 -28.624 16.124 -2.110 413 HB3 PRO 4 1HB PRO 4 -29.019 15.373 -0.563 414 HG2 PRO 4 2HG PRO 4 -28.514 17.999 -0.760 415 HG3 PRO 4 1HG PRO 4 -28.026 17.059 0.662 416 HD2 PRO 4 2HD PRO 4 -26.368 18.001 -1.646 417 HD3 PRO 4 1HD PRO 4 -25.972 17.953 0.085 418 H GLU 5 H GLU 5 -25.480 15.877 -3.041 419 HA GLU 5 HA GLU 5 -26.630 14.318 -5.165 420 HB2 GLU 5 2HB GLU 5 -24.113 15.997 -5.168 421 HB3 GLU 5 1HB GLU 5 -24.991 15.419 -6.578 422 HG2 GLU 5 2HG GLU 5 -26.305 17.191 -4.556 423 HG3 GLU 5 1HG GLU 5 -25.305 17.854 -5.849 424 H ALA 6 H ALA 6 -24.231 13.809 -2.817 425 HA ALA 6 HA ALA 6 -22.640 11.982 -4.408 426 HB1 ALA 6 1HB ALA 6 -22.514 12.597 -1.458 427 HB2 ALA 6 2HB ALA 6 -21.551 13.371 -2.718 428 HB3 ALA 6 3HB ALA 6 -21.338 11.655 -2.374 429 H ASP 7 H ASP 7 -22.660 9.787 -4.294 430 HA ASP 7 HA ASP 7 -25.056 8.495 -3.548 431 HB2 ASP 7 2HB ASP 7 -23.487 7.734 -5.349 432 HB3 ASP 7 1HB ASP 7 -22.378 7.208 -4.093 433 HA PRO 8 HA PRO 8 -24.222 8.128 0.817 434 HB2 PRO 8 2HB PRO 8 -26.335 6.492 1.378 435 HB3 PRO 8 1HB PRO 8 -26.477 8.240 1.156 436 HG2 PRO 8 2HG PRO 8 -27.011 6.027 -0.795 437 HG3 PRO 8 1HG PRO 8 -27.966 7.487 -0.470 438 HD2 PRO 8 2HD PRO 8 -26.329 7.308 -2.592 439 HD3 PRO 8 1HD PRO 8 -26.557 8.836 -1.716 440 H ARG 9 H ARG 9 -24.417 5.460 -1.413 441 HA ARG 9 HA ARG 9 -23.423 3.572 0.595 442 HB2 ARG 9 2HB ARG 9 -24.046 3.043 -2.312 443 HB3 ARG 9 1HB ARG 9 -23.820 1.854 -1.038 444 HG2 ARG 9 2HG ARG 9 -25.896 2.190 -0.156 445 HG3 ARG 9 1HG ARG 9 -25.985 3.860 -0.723 446 HD2 ARG 9 2HD ARG 9 -26.190 1.391 -2.440 447 HD3 ARG 9 1HD ARG 9 -27.531 2.425 -1.947 448 HE ARG 9 HE ARG 9 -25.543 3.959 -3.272 449 HH11 ARG 9 1HH1 ARG 9 -28.072 1.620 -3.875 450 HH12 ARG 9 2HH1 ARG 9 -28.368 2.158 -5.495 451 HH21 ARG 9 1HH2 ARG 9 -25.914 4.673 -5.414 452 HH22 ARG 9 2HH2 ARG 9 -27.154 3.898 -6.363 453 H LEU 10 H LEU 10 -22.488 5.101 -2.446 454 HA LEU 10 HA LEU 10 -20.022 3.781 -2.777 455 HB2 LEU 10 2HB LEU 10 -21.249 5.187 -4.483 456 HB3 LEU 10 1HB LEU 10 -20.647 6.597 -3.633 457 HG LEU 10 HG LEU 10 -18.312 5.740 -4.069 458 HD11 LEU 10 1HD1 LEU 10 -18.701 3.451 -4.553 459 HD12 LEU 10 2HD1 LEU 10 -18.152 4.203 -6.052 460 HD13 LEU 10 3HD1 LEU 10 -19.863 3.847 -5.818 461 HD21 LEU 10 3HD2 LEU 10 -20.060 6.450 -6.423 462 HD22 LEU 10 1HD2 LEU 10 -18.299 6.552 -6.389 463 HD23 LEU 10 2HD2 LEU 10 -19.262 7.582 -5.329 464 H ILE 11 H ILE 11 -20.928 6.701 -1.023 465 HA ILE 11 HA ILE 11 -18.273 7.465 -0.355 466 HB ILE 11 HB ILE 11 -20.350 8.936 -0.319 467 HG12 ILE 11 2HG1 ILE 11 -18.611 9.024 2.158 468 HG13 ILE 11 1HG1 ILE 11 -18.101 9.578 0.566 469 HG21 ILE 11 1HG2 ILE 11 -21.581 9.052 1.799 470 HG22 ILE 11 2HG2 ILE 11 -20.697 7.643 2.387 471 HG23 ILE 11 3HG2 ILE 11 -21.788 7.490 1.008 472 HD11 ILE 11 3HD1 ILE 11 -19.867 11.253 0.582 473 HD12 ILE 11 1HD1 ILE 11 -18.799 11.431 1.974 474 HD13 ILE 11 2HD1 ILE 11 -20.389 10.693 2.171 475 H GLU 12 H GLU 12 -20.309 4.994 0.804 476 HA GLU 12 HA GLU 12 -19.280 4.897 3.479 477 HB2 GLU 12 2HB GLU 12 -21.002 3.049 1.854 478 HB3 GLU 12 1HB GLU 12 -20.397 2.588 3.437 479 HG2 GLU 12 2HG GLU 12 -22.208 4.890 2.771 480 HG3 GLU 12 1HG GLU 12 -22.602 3.436 3.685 481 H SER 13 H SER 13 -18.060 3.943 0.481 482 HA SER 13 HA SER 13 -16.756 1.556 0.988 483 HB2 SER 13 2HB SER 13 -15.655 3.850 -0.645 484 HB3 SER 13 1HB SER 13 -15.255 2.144 -0.815 485 HG SER 13 HG SER 13 -17.503 3.544 -1.656 486 H LEU 14 H LEU 14 -15.883 4.812 1.985 487 HA LEU 14 HA LEU 14 -13.251 4.148 2.847 488 HB2 LEU 14 2HB LEU 14 -15.054 6.466 3.537 489 HB3 LEU 14 1HB LEU 14 -13.393 6.328 4.080 490 HG LEU 14 HG LEU 14 -13.085 6.026 1.389 491 HD11 LEU 14 1HD1 LEU 14 -14.415 7.805 0.324 492 HD12 LEU 14 2HD1 LEU 14 -15.352 7.965 1.809 493 HD13 LEU 14 3HD1 LEU 14 -15.406 6.460 0.890 494 HD21 LEU 14 3HD2 LEU 14 -13.069 8.546 3.038 495 HD22 LEU 14 1HD2 LEU 14 -12.378 8.410 1.421 496 HD23 LEU 14 2HD2 LEU 14 -11.720 7.450 2.743 497 H SER 15 H SER 15 -16.372 4.497 4.525 498 HA SER 15 HA SER 15 -15.390 3.945 7.112 499 HB2 SER 15 2HB SER 15 -18.169 3.134 6.472 500 HB3 SER 15 1HB SER 15 -17.565 4.157 7.776 501 HG SER 15 HG SER 15 -18.814 4.996 5.716 502 H GLN 16 H GLN 16 -16.619 1.909 4.511 503 HA GLN 16 HA GLN 16 -16.877 -0.502 5.893 504 HB2 GLN 16 2HB GLN 16 -17.065 0.359 3.228 505 HB3 GLN 16 1HB GLN 16 -15.874 -0.934 3.218 506 HG2 GLN 16 2HG GLN 16 -18.006 -1.895 2.793 507 HG3 GLN 16 1HG GLN 16 -17.519 -2.365 4.421 508 HE21 GLN 16 1HE2 GLN 16 -19.617 -2.754 5.068 509 HE22 GLN 16 2HE2 GLN 16 -20.752 -1.481 5.349 510 H MET 17 H MET 17 -14.064 0.893 4.255 511 HA MET 17 HA MET 17 -12.344 -1.318 4.728 512 HB2 MET 17 2HB MET 17 -11.706 1.583 4.144 513 HB3 MET 17 1HB MET 17 -10.513 0.290 4.177 514 HG2 MET 17 2HG MET 17 -12.842 0.541 2.291 515 HG3 MET 17 1HG MET 17 -11.142 0.793 1.906 516 HE1 MET 17 3HE MET 17 -9.359 -1.069 1.725 517 HE2 MET 17 1HE MET 17 -9.643 -2.774 2.076 518 HE3 MET 17 2HE MET 17 -9.655 -1.591 3.382 519 H LEU 18 H LEU 18 -12.993 1.696 6.444 520 HA LEU 18 HA LEU 18 -10.965 1.455 8.384 521 HB2 LEU 18 2HB LEU 18 -12.418 3.482 7.811 522 HB3 LEU 18 1HB LEU 18 -13.647 2.753 8.828 523 HG LEU 18 HG LEU 18 -12.130 2.882 10.757 524 HD11 LEU 18 1HD1 LEU 18 -10.258 4.157 8.771 525 HD12 LEU 18 2HD1 LEU 18 -9.983 2.707 9.734 526 HD13 LEU 18 3HD1 LEU 18 -10.069 4.283 10.520 527 HD21 LEU 18 3HD2 LEU 18 -13.679 4.703 10.335 528 HD22 LEU 18 1HD2 LEU 18 -12.505 5.481 9.275 529 HD23 LEU 18 2HD2 LEU 18 -12.170 5.324 11.000 530 H SER 19 H SER 19 -14.329 0.365 8.309 531 HA SER 19 HA SER 19 -14.338 -0.731 10.934 532 HB2 SER 19 2HB SER 19 -16.173 -0.588 8.655 533 HB3 SER 19 1HB SER 19 -16.308 -2.095 9.559 534 HG SER 19 HG SER 19 -17.261 -1.042 11.088 535 H MET 20 H MET 20 -13.193 -1.851 7.891 536 HA MET 20 HA MET 20 -13.267 -4.650 8.502 537 HB2 MET 20 2HB MET 20 -13.193 -3.552 6.184 538 HB3 MET 20 1HB MET 20 -11.472 -3.332 6.473 539 HG2 MET 20 2HG MET 20 -11.199 -5.745 6.717 540 HG3 MET 20 1HG MET 20 -12.927 -5.967 6.449 541 HE1 MET 20 3HE MET 20 -13.513 -3.818 4.134 542 HE2 MET 20 1HE MET 20 -14.147 -5.462 4.175 543 HE3 MET 20 2HE MET 20 -13.343 -4.865 2.726 544 H GLY 21 H GLY 21 -11.337 -2.082 9.493 545 HA2 GLY 21 2HA GLY 21 -9.741 -2.357 11.242 546 HA3 GLY 21 1HA GLY 21 -9.394 -3.966 10.626 547 H PHE 22 H PHE 22 -9.663 -1.432 8.321 548 HA PHE 22 HA PHE 22 -6.748 -1.507 7.993 549 HB2 PHE 22 2HB PHE 22 -8.426 -2.202 6.102 550 HB3 PHE 22 1HB PHE 22 -8.620 -0.466 5.894 551 HD1 PHE 22 1HD PHE 22 -5.819 -2.893 6.344 552 HD2 PHE 22 2HD PHE 22 -7.340 0.495 4.263 553 HE1 PHE 22 1HE PHE 22 -3.783 -2.828 4.960 554 HE2 PHE 22 2HE PHE 22 -5.306 0.569 2.885 555 HZ PHE 22 HZ PHE 22 -3.524 -1.097 3.233 556 H SER 23 H SER 23 -5.622 0.248 8.429 557 HA SER 23 HA SER 23 -6.866 2.881 8.225 558 HB2 SER 23 2HB SER 23 -5.350 1.996 10.692 559 HB3 SER 23 1HB SER 23 -6.184 3.532 10.450 560 HG SER 23 HG SER 23 -8.037 1.813 10.021 561 H ASP 24 H ASP 24 -5.451 4.444 7.566 562 HA ASP 24 HA ASP 24 -2.649 3.611 7.229 563 HB2 ASP 24 2HB ASP 24 -2.893 3.855 5.025 564 HB3 ASP 24 1HB ASP 24 -4.581 4.272 5.258 565 H GLU 25 H GLU 25 -1.040 5.165 7.488 566 HA GLU 25 HA GLU 25 -1.924 7.681 8.732 567 HB2 GLU 25 2HB GLU 25 0.629 7.081 9.752 568 HB3 GLU 25 1HB GLU 25 -0.899 7.088 10.616 569 HG2 GLU 25 2HG GLU 25 -0.037 4.992 11.071 570 HG3 GLU 25 1HG GLU 25 -1.160 4.686 9.752 571 H GLY 26 H GLY 26 -0.875 6.818 5.963 572 HA2 GLY 26 2HA GLY 26 1.203 8.925 5.821 573 HA3 GLY 26 1HA GLY 26 1.278 7.459 4.848 574 H GLY 27 H GLY 27 -1.879 8.312 5.193 575 HA2 GLY 27 2HA GLY 27 -3.431 9.365 3.874 576 HA3 GLY 27 1HA GLY 27 -2.133 10.381 3.253 577 H TRP 28 H TRP 28 -1.964 6.896 3.126 578 HA TRP 28 HA TRP 28 -1.994 7.146 0.218 579 HB2 TRP 28 2HB TRP 28 -0.744 5.154 0.058 580 HB3 TRP 28 1HB TRP 28 -0.007 6.115 1.326 581 HD1 TRP 28 HD TRP 28 -0.427 5.208 3.900 582 HE1 TRP 28 1HE TRP 28 -0.725 2.793 4.745 583 HE3 TRP 28 3HE TRP 28 -1.618 2.939 -0.524 584 HZ2 TRP 28 2HZ TRP 28 -1.355 0.256 3.671 585 HZ3 TRP 28 3HZ TRP 28 -2.038 0.513 -0.527 586 HH2 TRP 28 HH TRP 28 -1.912 -0.794 1.521 587 H LEU 29 H LEU 29 -3.954 5.914 2.752 588 HA LEU 29 HA LEU 29 -5.277 3.902 1.226 589 HB2 LEU 29 2HB LEU 29 -5.480 3.796 3.598 590 HB3 LEU 29 1HB LEU 29 -6.069 5.443 3.688 591 HG LEU 29 HG LEU 29 -8.155 4.737 2.559 592 HD11 LEU 29 1HD1 LEU 29 -7.341 2.837 1.313 593 HD12 LEU 29 2HD1 LEU 29 -8.642 2.328 2.389 594 HD13 LEU 29 3HD1 LEU 29 -6.964 1.979 2.804 595 HD21 LEU 29 3HD2 LEU 29 -7.512 3.131 5.027 596 HD22 LEU 29 1HD2 LEU 29 -9.116 3.600 4.461 597 HD23 LEU 29 2HD2 LEU 29 -7.980 4.831 5.013 598 H THR 30 H THR 30 -5.915 7.310 1.889 599 HA THR 30 HA THR 30 -8.349 7.494 0.490 600 HB THR 30 HB THR 30 -7.695 9.233 2.057 601 HG1 THR 30 1HG THR 30 -8.449 9.746 -0.513 602 HG21 THR 30 3HG2 THR 30 -5.507 9.931 0.092 603 HG22 THR 30 1HG2 THR 30 -5.271 9.186 1.674 604 HG23 THR 30 2HG2 THR 30 -5.913 10.822 1.560 605 H ARG 31 H ARG 31 -5.097 7.280 -0.582 606 HA ARG 31 HA ARG 31 -5.717 8.297 -3.245 607 HB2 ARG 31 2HB ARG 31 -3.255 7.712 -1.713 608 HB3 ARG 31 1HB ARG 31 -3.172 7.419 -3.445 609 HG2 ARG 31 2HG ARG 31 -3.796 9.695 -3.902 610 HG3 ARG 31 1HG ARG 31 -4.037 10.005 -2.182 611 HD2 ARG 31 2HD ARG 31 -1.402 9.044 -3.233 612 HD3 ARG 31 1HD ARG 31 -1.828 10.754 -3.275 613 HE ARG 31 HE ARG 31 -2.227 9.658 -0.679 614 HH11 ARG 31 1HH1 ARG 31 0.268 10.722 -2.887 615 HH12 ARG 31 2HH1 ARG 31 1.344 11.237 -1.626 616 HH21 ARG 31 1HH2 ARG 31 -0.805 10.311 0.992 617 HH22 ARG 31 2HH2 ARG 31 0.728 11.007 0.584 618 H LEU 32 H LEU 32 -5.235 5.336 -1.513 619 HA LEU 32 HA LEU 32 -4.768 3.601 -3.678 620 HB2 LEU 32 2HB LEU 32 -4.517 3.131 -1.186 621 HB3 LEU 32 1HB LEU 32 -6.254 2.907 -1.145 622 HG LEU 32 HG LEU 32 -5.937 1.101 -2.897 623 HD11 LEU 32 1HD1 LEU 32 -3.753 1.672 -3.695 624 HD12 LEU 32 2HD1 LEU 32 -3.686 0.079 -2.942 625 HD13 LEU 32 3HD1 LEU 32 -3.067 1.490 -2.082 626 HD21 LEU 32 3HD2 LEU 32 -5.247 -0.566 -1.233 627 HD22 LEU 32 1HD2 LEU 32 -6.410 0.586 -0.577 628 HD23 LEU 32 2HD2 LEU 32 -4.698 0.734 -0.173 629 H LEU 33 H LEU 33 -7.703 4.771 -2.131 630 HA LEU 33 HA LEU 33 -9.484 3.212 -3.741 631 HB2 LEU 33 2HB LEU 33 -9.984 5.640 -2.018 632 HB3 LEU 33 1HB LEU 33 -11.236 4.653 -2.744 633 HG LEU 33 HG LEU 33 -9.250 3.714 -0.670 634 HD11 LEU 33 1HD1 LEU 33 -11.253 3.595 0.781 635 HD12 LEU 33 2HD1 LEU 33 -12.184 4.384 -0.491 636 HD13 LEU 33 3HD1 LEU 33 -10.852 5.239 0.288 637 HD21 LEU 33 3HD2 LEU 33 -10.717 1.712 -0.584 638 HD22 LEU 33 1HD2 LEU 33 -9.851 1.887 -2.110 639 HD23 LEU 33 2HD2 LEU 33 -11.557 2.315 -2.011 640 H GLN 34 H GLN 34 -7.636 5.939 -4.378 641 HA GLN 34 HA GLN 34 -9.532 7.011 -6.328 642 HB2 GLN 34 2HB GLN 34 -6.839 7.999 -5.388 643 HB3 GLN 34 1HB GLN 34 -7.735 8.746 -6.701 644 HG2 GLN 34 2HG GLN 34 -8.565 8.549 -3.820 645 HG3 GLN 34 1HG GLN 34 -8.088 9.999 -4.699 646 HE21 GLN 34 1HE2 GLN 34 -10.608 7.762 -4.040 647 HE22 GLN 34 2HE2 GLN 34 -11.874 8.616 -4.855 648 H THR 35 H THR 35 -6.404 5.428 -6.116 649 HA THR 35 HA THR 35 -5.913 5.551 -8.941 650 HB THR 35 HB THR 35 -4.086 3.825 -8.290 651 HG1 THR 35 1HG THR 35 -4.415 4.870 -5.693 652 HG21 THR 35 3HG2 THR 35 -4.077 6.630 -7.169 653 HG22 THR 35 1HG2 THR 35 -3.608 6.156 -8.800 654 HG23 THR 35 2HG2 THR 35 -2.647 5.628 -7.420 655 H LYS 36 H LYS 36 -6.919 3.027 -6.653 656 HA LYS 36 HA LYS 36 -7.440 1.255 -8.938 657 HB2 LYS 36 2HB LYS 36 -7.067 0.671 -6.000 658 HB3 LYS 36 1HB LYS 36 -7.553 -0.541 -7.179 659 HG2 LYS 36 2HG LYS 36 -5.495 -0.668 -8.111 660 HG3 LYS 36 1HG LYS 36 -5.131 1.031 -7.809 661 HD2 LYS 36 2HD LYS 36 -5.138 0.225 -5.297 662 HD3 LYS 36 1HD LYS 36 -4.785 -1.338 -6.038 663 HE2 LYS 36 2HE LYS 36 -2.681 -0.375 -5.585 664 HE3 LYS 36 1HE LYS 36 -2.936 -0.149 -7.314 665 HZ1 LYS 36 3HZ LYS 36 -2.304 1.948 -6.786 666 HZ2 LYS 36 1HZ LYS 36 -2.836 1.833 -5.180 667 HZ3 LYS 36 2HZ LYS 36 -3.950 2.116 -6.415 668 H ASN 37 H ASN 37 -9.058 3.521 -7.653 669 HA ASN 37 HA ASN 37 -11.239 4.075 -7.427 670 HB2 ASN 37 2HB ASN 37 -11.380 2.584 -9.503 671 HB3 ASN 37 1HB ASN 37 -11.974 1.326 -8.428 672 HD21 ASN 37 1HD2 ASN 37 -14.069 1.137 -8.492 673 HD22 ASN 37 2HD2 ASN 37 -15.211 2.432 -8.677 674 H TYR 38 H TYR 38 -13.471 2.937 -6.509 675 HA TYR 38 HA TYR 38 -12.750 2.234 -3.789 676 HB2 TYR 38 2HB TYR 38 -15.491 2.684 -4.989 677 HB3 TYR 38 1HB TYR 38 -15.098 2.609 -3.276 678 HD1 TYR 38 1HD TYR 38 -13.528 4.407 -2.342 679 HD2 TYR 38 2HD TYR 38 -15.429 4.725 -6.134 680 HE1 TYR 38 1HE TYR 38 -13.150 6.836 -2.321 681 HE2 TYR 38 2HE TYR 38 -15.055 7.156 -6.123 682 HH TYR 38 HH TYR 38 -14.678 8.961 -4.450 683 H ASP 39 H ASP 39 -12.203 0.273 -5.784 684 HA ASP 39 HA ASP 39 -14.251 -1.766 -5.490 685 HB2 ASP 39 2HB ASP 39 -11.702 -1.550 -7.072 686 HB3 ASP 39 1HB ASP 39 -12.464 -3.122 -6.825 687 H ILE 40 H ILE 40 -14.253 -2.394 -3.403 688 HA ILE 40 HA ILE 40 -12.074 -2.707 -1.704 689 HB ILE 40 HB ILE 40 -14.660 -4.269 -1.622 690 HG12 ILE 40 2HG1 ILE 40 -13.941 -1.601 -0.367 691 HG13 ILE 40 1HG1 ILE 40 -15.036 -1.834 -1.726 692 HG21 ILE 40 1HG2 ILE 40 -12.988 -5.226 -0.163 693 HG22 ILE 40 2HG2 ILE 40 -14.202 -4.388 0.804 694 HG23 ILE 40 3HG2 ILE 40 -12.632 -3.639 0.520 695 HD11 ILE 40 3HD1 ILE 40 -15.442 -2.808 1.090 696 HD12 ILE 40 1HD1 ILE 40 -16.518 -3.149 -0.266 697 HD13 ILE 40 2HD1 ILE 40 -16.294 -1.489 0.289 698 H GLY 41 H GLY 41 -13.593 -5.040 -3.886 699 HA2 GLY 41 2HA GLY 41 -12.214 -7.337 -3.073 700 HA3 GLY 41 1HA GLY 41 -12.880 -7.073 -4.677 701 H ALA 42 H ALA 42 -11.398 -4.988 -5.603 702 HA ALA 42 HA ALA 42 -9.018 -6.259 -6.421 703 HB1 ALA 42 1HB ALA 42 -8.552 -4.273 -7.660 704 HB2 ALA 42 2HB ALA 42 -9.639 -3.323 -6.649 705 HB3 ALA 42 3HB ALA 42 -10.297 -4.549 -7.733 706 H ALA 43 H ALA 43 -9.663 -3.682 -4.085 707 HA ALA 43 HA ALA 43 -7.009 -3.020 -3.477 708 HB1 ALA 43 1HB ALA 43 -9.385 -2.876 -1.626 709 HB2 ALA 43 2HB ALA 43 -8.971 -1.666 -2.841 710 HB3 ALA 43 3HB ALA 43 -7.880 -1.966 -1.491 711 H LEU 44 H LEU 44 -9.192 -5.375 -1.954 712 HA LEU 44 HA LEU 44 -7.429 -6.207 0.078 713 HB2 LEU 44 2HB LEU 44 -9.969 -7.063 -1.043 714 HB3 LEU 44 1HB LEU 44 -8.982 -8.421 -0.539 715 HG LEU 44 HG LEU 44 -8.818 -7.476 1.719 716 HD11 LEU 44 1HD1 LEU 44 -10.180 -5.562 2.362 717 HD12 LEU 44 2HD1 LEU 44 -10.676 -5.342 0.683 718 HD13 LEU 44 3HD1 LEU 44 -8.989 -5.111 1.143 719 HD21 LEU 44 3HD2 LEU 44 -11.133 -7.838 2.384 720 HD22 LEU 44 1HD2 LEU 44 -10.618 -9.035 1.196 721 HD23 LEU 44 2HD2 LEU 44 -11.649 -7.689 0.704 722 H ASP 45 H ASP 45 -7.904 -7.289 -3.230 723 HA ASP 45 HA ASP 45 -6.191 -9.554 -3.081 724 HB2 ASP 45 2HB ASP 45 -7.811 -9.532 -4.818 725 HB3 ASP 45 1HB ASP 45 -7.309 -7.940 -5.369 726 H THR 46 H THR 46 -5.695 -6.165 -3.675 727 HA THR 46 HA THR 46 -3.244 -6.164 -4.989 728 HB THR 46 HB THR 46 -4.209 -4.170 -2.928 729 HG1 THR 46 1HG THR 46 -5.550 -4.672 -4.908 730 HG21 THR 46 3HG2 THR 46 -2.755 -2.577 -4.052 731 HG22 THR 46 1HG2 THR 46 -2.229 -3.821 -5.186 732 HG23 THR 46 2HG2 THR 46 -1.812 -3.952 -3.476 733 H ILE 47 H ILE 47 -3.915 -6.357 -1.498 734 HA ILE 47 HA ILE 47 -1.029 -6.639 -1.015 735 HB ILE 47 HB ILE 47 -1.521 -6.218 1.350 736 HG12 ILE 47 2HG1 ILE 47 -4.372 -5.726 0.460 737 HG13 ILE 47 1HG1 ILE 47 -3.836 -7.180 1.292 738 HG21 ILE 47 1HG2 ILE 47 -2.664 -4.181 -0.556 739 HG22 ILE 47 2HG2 ILE 47 -0.975 -4.343 -0.074 740 HG23 ILE 47 3HG2 ILE 47 -2.188 -3.853 1.109 741 HD11 ILE 47 3HD1 ILE 47 -3.853 -4.375 2.362 742 HD12 ILE 47 1HD1 ILE 47 -3.105 -5.744 3.186 743 HD13 ILE 47 2HD1 ILE 47 -4.842 -5.737 2.884 744 H GLN 48 H GLN 48 -3.528 -8.598 -1.640 745 HA GLN 48 HA GLN 48 -3.872 -10.825 -1.475 746 HB2 GLN 48 2HB GLN 48 -1.105 -10.596 -0.522 747 HB3 GLN 48 1HB GLN 48 -1.961 -12.020 0.055 748 HG2 GLN 48 2HG GLN 48 -1.559 -11.195 -2.808 749 HG3 GLN 48 1HG GLN 48 -0.790 -12.545 -1.972 750 HE21 GLN 48 1HE2 GLN 48 -2.600 -12.319 -4.357 751 HE22 GLN 48 2HE2 GLN 48 -3.875 -13.448 -4.039 752 H TYR 49 H TYR 49 -2.841 -9.377 1.595 753 HA TYR 49 HA TYR 49 -4.071 -11.231 3.300 754 HB2 TYR 49 2HB TYR 49 -3.450 -8.299 3.697 755 HB3 TYR 49 1HB TYR 49 -4.020 -9.360 4.981 756 HD1 TYR 49 2HD TYR 49 -2.605 -11.642 5.147 757 HD2 TYR 49 1HD TYR 49 -1.170 -7.953 3.592 758 HE1 TYR 49 2HE TYR 49 -0.299 -12.353 5.615 759 HE2 TYR 49 1HE TYR 49 1.146 -8.653 4.057 760 HH TYR 49 HH TYR 49 2.287 -10.295 5.667 761 H SER 50 H SER 50 -6.125 -11.760 2.639 762 HA SER 50 HA SER 50 -8.152 -9.668 3.052 763 HB2 SER 50 2HB SER 50 -9.408 -11.313 1.297 764 HB3 SER 50 1HB SER 50 -8.499 -9.883 0.814 765 HG SER 50 HG SER 50 -6.655 -11.290 0.576 766 H LYS 51 H LYS 51 -7.021 -12.782 3.836 767 HA LYS 51 HA LYS 51 -9.484 -13.275 5.358 768 HB2 LYS 51 2HB LYS 51 -7.911 -15.355 3.825 769 HB3 LYS 51 1HB LYS 51 -9.222 -15.712 4.940 770 HG2 LYS 51 2HG LYS 51 -10.622 -14.161 3.422 771 HG3 LYS 51 1HG LYS 51 -9.333 -14.423 2.248 772 HD2 LYS 51 2HD LYS 51 -10.819 -16.109 1.710 773 HD3 LYS 51 1HD LYS 51 -9.707 -16.940 2.799 774 HE2 LYS 51 2HE LYS 51 -11.281 -16.542 4.657 775 HE3 LYS 51 1HE LYS 51 -12.396 -15.775 3.527 776 HZ1 LYS 51 3HZ LYS 51 -11.534 -18.615 3.560 777 HZ2 LYS 51 1HZ LYS 51 -12.400 -17.919 2.283 778 HZ3 LYS 51 2HZ LYS 51 -13.090 -18.005 3.823 779 H HIS 52 H HIS 52 -6.519 -12.357 5.736 780 HA HIS 52 HA HIS 52 -6.261 -13.250 8.386 781 HB2 HIS 52 2HB HIS 52 -5.559 -15.366 7.216 782 HB3 HIS 52 1HB HIS 52 -4.223 -14.472 6.499 783 HD1 HIS 52 1HD HIS 52 -2.162 -15.169 7.678 784 HD2 HIS 52 2HD HIS 52 -5.346 -14.653 10.297 785 HE1 HIS 52 1HE HIS 52 -1.210 -15.520 9.976 786 HE2 HIS 52 2HE HIS 52 -3.106 -14.985 11.542 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 20.086 20.020 -3.393 2 H2 GLY 1 2HT GLY 1 18.650 19.960 -2.510 3 H3 GLY 1 3HT GLY 1 18.623 20.430 -4.133 4 HA2 GLY 1 1HA GLY 1 17.830 18.177 -3.940 5 HA3 GLY 1 2HA GLY 1 19.360 18.224 -4.809 6 H SER 2 H SER 2 20.594 16.559 -4.261 7 HA SER 2 HA SER 2 20.359 15.390 -1.606 8 HB2 SER 2 2HB SER 2 22.143 14.489 -3.876 9 HB3 SER 2 1HB SER 2 21.630 13.547 -2.475 10 HG SER 2 HG SER 2 19.982 14.503 -4.586 11 HA PRO 3 HA PRO 3 23.973 17.873 -0.553 12 HB2 PRO 3 2HB PRO 3 23.640 17.832 2.100 13 HB3 PRO 3 1HB PRO 3 22.585 18.798 1.062 14 HG2 PRO 3 2HG PRO 3 22.077 16.138 2.329 15 HG3 PRO 3 1HG PRO 3 20.985 17.525 2.162 16 HD2 PRO 3 2HD PRO 3 20.987 15.308 0.505 17 HD3 PRO 3 1HD PRO 3 20.342 16.901 0.061 18 HA PRO 4 HA PRO 4 27.010 14.775 0.372 19 HB2 PRO 4 2HB PRO 4 28.348 16.720 2.146 20 HB3 PRO 4 1HB PRO 4 28.959 15.926 0.694 21 HG2 PRO 4 2HG PRO 4 28.316 18.516 0.673 22 HG3 PRO 4 1HG PRO 4 27.997 17.474 -0.730 23 HD2 PRO 4 2HD PRO 4 26.106 18.457 1.379 24 HD3 PRO 4 1HD PRO 4 25.865 18.315 -0.374 25 H GLU 5 H GLU 5 25.172 16.308 2.782 26 HA GLU 5 HA GLU 5 26.164 14.876 5.054 27 HB2 GLU 5 2HB GLU 5 23.555 16.356 4.667 28 HB3 GLU 5 1HB GLU 5 24.220 15.830 6.208 29 HG2 GLU 5 2HG GLU 5 25.664 17.733 4.388 30 HG3 GLU 5 1HG GLU 5 24.520 18.262 5.622 31 H ALA 6 H ALA 6 23.948 14.236 2.515 32 HA ALA 6 HA ALA 6 22.390 12.282 3.929 33 HB1 ALA 6 1HB ALA 6 22.590 12.880 0.980 34 HB2 ALA 6 2HB ALA 6 21.387 13.520 2.100 35 HB3 ALA 6 3HB ALA 6 21.412 11.798 1.724 36 H ASP 7 H ASP 7 22.643 10.106 3.960 37 HA ASP 7 HA ASP 7 25.237 9.076 3.289 38 HB2 ASP 7 2HB ASP 7 23.799 8.384 5.291 39 HB3 ASP 7 1HB ASP 7 22.865 7.422 4.147 40 HA PRO 8 HA PRO 8 24.204 7.977 -0.883 41 HB2 PRO 8 2HB PRO 8 26.354 6.349 -1.333 42 HB3 PRO 8 1HB PRO 8 26.430 8.114 -1.387 43 HG2 PRO 8 2HG PRO 8 27.186 6.250 0.832 44 HG3 PRO 8 1HG PRO 8 28.041 7.686 0.234 45 HD2 PRO 8 2HD PRO 8 26.544 7.763 2.462 46 HD3 PRO 8 1HD PRO 8 26.633 9.147 1.354 47 H ARG 9 H ARG 9 24.580 5.714 1.725 48 HA ARG 9 HA ARG 9 23.662 3.480 0.078 49 HB2 ARG 9 2HB ARG 9 24.408 3.598 3.008 50 HB3 ARG 9 1HB ARG 9 23.993 2.135 2.121 51 HG2 ARG 9 2HG ARG 9 25.963 2.125 0.939 52 HG3 ARG 9 1HG ARG 9 26.214 3.861 1.132 53 HD2 ARG 9 2HD ARG 9 26.414 1.818 3.341 54 HD3 ARG 9 1HD ARG 9 27.781 2.512 2.467 55 HE ARG 9 HE ARG 9 26.036 4.462 3.703 56 HH11 ARG 9 1HH1 ARG 9 28.850 2.410 4.121 57 HH12 ARG 9 2HH1 ARG 9 29.538 3.396 5.369 58 HH21 ARG 9 1HH2 ARG 9 26.927 5.751 5.351 59 HH22 ARG 9 2HH2 ARG 9 28.443 5.289 6.079 60 H LEU 10 H LEU 10 22.468 5.727 2.456 61 HA LEU 10 HA LEU 10 20.052 4.197 2.912 62 HB2 LEU 10 2HB LEU 10 21.141 5.620 4.677 63 HB3 LEU 10 1HB LEU 10 20.634 7.029 3.764 64 HG LEU 10 HG LEU 10 18.270 6.342 4.058 65 HD11 LEU 10 1HD1 LEU 10 17.769 4.614 5.764 66 HD12 LEU 10 2HD1 LEU 10 19.476 4.170 5.763 67 HD13 LEU 10 3HD1 LEU 10 18.510 3.968 4.300 68 HD21 LEU 10 3HD2 LEU 10 19.822 6.599 6.628 69 HD22 LEU 10 1HD2 LEU 10 18.104 6.928 6.415 70 HD23 LEU 10 2HD2 LEU 10 19.301 7.934 5.598 71 H ILE 11 H ILE 11 21.127 6.809 0.891 72 HA ILE 11 HA ILE 11 18.484 7.645 0.138 73 HB ILE 11 HB ILE 11 20.492 9.146 0.074 74 HG12 ILE 11 2HG1 ILE 11 19.145 8.905 -2.618 75 HG13 ILE 11 1HG1 ILE 11 18.340 9.549 -1.191 76 HG21 ILE 11 1HG2 ILE 11 21.968 9.040 -1.883 77 HG22 ILE 11 2HG2 ILE 11 21.195 7.533 -2.373 78 HG23 ILE 11 3HG2 ILE 11 22.109 7.604 -0.868 79 HD11 ILE 11 3HD1 ILE 11 19.867 11.378 -1.074 80 HD12 ILE 11 1HD1 ILE 11 19.251 11.272 -2.725 81 HD13 ILE 11 2HD1 ILE 11 20.872 10.685 -2.344 82 H GLU 12 H GLU 12 20.707 5.208 -0.854 83 HA GLU 12 HA GLU 12 19.591 4.852 -3.472 84 HB2 GLU 12 2HB GLU 12 21.616 3.372 -1.842 85 HB3 GLU 12 1HB GLU 12 20.950 2.640 -3.297 86 HG2 GLU 12 2HG GLU 12 22.573 5.149 -3.043 87 HG3 GLU 12 1HG GLU 12 22.936 3.689 -3.963 88 H SER 13 H SER 13 18.630 3.924 -0.356 89 HA SER 13 HA SER 13 17.477 1.416 -0.836 90 HB2 SER 13 2HB SER 13 16.371 3.546 1.013 91 HB3 SER 13 1HB SER 13 16.196 1.796 1.164 92 HG SER 13 HG SER 13 18.047 1.743 2.150 93 H LEU 14 H LEU 14 16.458 4.647 -1.628 94 HA LEU 14 HA LEU 14 13.753 4.015 -2.278 95 HB2 LEU 14 2HB LEU 14 15.545 6.336 -3.001 96 HB3 LEU 14 1HB LEU 14 13.880 6.225 -3.535 97 HG LEU 14 HG LEU 14 13.340 6.012 -0.991 98 HD11 LEU 14 1HD1 LEU 14 14.924 7.286 0.412 99 HD12 LEU 14 2HD1 LEU 14 16.075 7.272 -0.924 100 HD13 LEU 14 3HD1 LEU 14 15.586 5.758 -0.167 101 HD21 LEU 14 3HD2 LEU 14 14.238 8.602 -2.244 102 HD22 LEU 14 1HD2 LEU 14 13.221 8.459 -0.811 103 HD23 LEU 14 2HD2 LEU 14 12.637 7.873 -2.371 104 H SER 15 H SER 15 16.725 4.488 -4.193 105 HA SER 15 HA SER 15 15.551 3.939 -6.696 106 HB2 SER 15 2HB SER 15 18.311 3.150 -6.654 107 HB3 SER 15 1HB SER 15 17.583 4.578 -7.392 108 HG SER 15 HG SER 15 19.228 4.606 -5.428 109 H GLN 16 H GLN 16 16.903 1.896 -4.190 110 HA GLN 16 HA GLN 16 17.223 -0.481 -5.621 111 HB2 GLN 16 2HB GLN 16 18.055 -0.189 -3.339 112 HB3 GLN 16 1HB GLN 16 16.406 -0.099 -2.733 113 HG2 GLN 16 2HG GLN 16 17.358 -2.275 -2.296 114 HG3 GLN 16 1HG GLN 16 16.017 -2.403 -3.430 115 HE21 GLN 16 1HE2 GLN 16 16.432 -2.937 -5.572 116 HE22 GLN 16 2HE2 GLN 16 17.937 -3.628 -6.069 117 H MET 17 H MET 17 14.370 0.817 -3.957 118 HA MET 17 HA MET 17 12.688 -1.400 -4.475 119 HB2 MET 17 2HB MET 17 11.980 1.503 -3.990 120 HB3 MET 17 1HB MET 17 10.821 0.181 -4.000 121 HG2 MET 17 2HG MET 17 13.111 0.536 -2.079 122 HG3 MET 17 1HG MET 17 11.402 0.793 -1.735 123 HE1 MET 17 3HE MET 17 9.659 -1.167 -1.291 124 HE2 MET 17 1HE MET 17 9.942 -2.810 -1.852 125 HE3 MET 17 2HE MET 17 9.872 -1.485 -3.014 126 H LEU 18 H LEU 18 13.373 1.575 -6.209 127 HA LEU 18 HA LEU 18 11.455 1.301 -8.248 128 HB2 LEU 18 2HB LEU 18 12.683 3.390 -7.715 129 HB3 LEU 18 1HB LEU 18 14.147 2.670 -8.348 130 HG LEU 18 HG LEU 18 13.070 2.536 -10.586 131 HD11 LEU 18 1HD1 LEU 18 10.872 4.078 -9.218 132 HD12 LEU 18 2HD1 LEU 18 10.748 2.470 -9.928 133 HD13 LEU 18 3HD1 LEU 18 11.031 3.871 -10.961 134 HD21 LEU 18 3HD2 LEU 18 14.525 4.413 -9.939 135 HD22 LEU 18 1HD2 LEU 18 13.107 5.297 -9.377 136 HD23 LEU 18 2HD2 LEU 18 13.275 4.895 -11.085 137 H SER 19 H SER 19 14.831 0.286 -8.010 138 HA SER 19 HA SER 19 15.022 -0.826 -10.606 139 HB2 SER 19 2HB SER 19 16.964 -0.184 -9.154 140 HB3 SER 19 1HB SER 19 16.613 -1.576 -8.134 141 HG SER 19 HG SER 19 16.870 -2.093 -10.848 142 H MET 20 H MET 20 13.910 -2.043 -7.526 143 HA MET 20 HA MET 20 13.854 -4.801 -8.172 144 HB2 MET 20 2HB MET 20 13.753 -3.971 -5.858 145 HB3 MET 20 1HB MET 20 12.189 -3.234 -6.183 146 HG2 MET 20 2HG MET 20 11.327 -5.529 -6.692 147 HG3 MET 20 1HG MET 20 12.859 -6.166 -6.098 148 HE1 MET 20 3HE MET 20 12.827 -5.096 -2.349 149 HE2 MET 20 1HE MET 20 13.494 -4.138 -3.669 150 HE3 MET 20 2HE MET 20 13.727 -5.885 -3.643 151 H GLY 21 H GLY 21 11.712 -2.138 -8.773 152 HA2 GLY 21 2HA GLY 21 10.249 -2.336 -10.721 153 HA3 GLY 21 1HA GLY 21 9.902 -3.980 -10.201 154 H PHE 22 H PHE 22 10.135 -1.592 -7.747 155 HA PHE 22 HA PHE 22 7.209 -1.630 -7.487 156 HB2 PHE 22 2HB PHE 22 9.417 -1.743 -5.490 157 HB3 PHE 22 1HB PHE 22 7.958 -0.866 -5.038 158 HD1 PHE 22 1HD PHE 22 9.064 -4.135 -6.427 159 HD2 PHE 22 2HD PHE 22 6.164 -2.008 -4.154 160 HE1 PHE 22 1HE PHE 22 7.960 -6.258 -5.854 161 HE2 PHE 22 2HE PHE 22 5.057 -4.126 -3.578 162 HZ PHE 22 HZ PHE 22 5.957 -6.253 -4.429 163 H SER 23 H SER 23 6.190 0.188 -7.824 164 HA SER 23 HA SER 23 7.328 2.739 -7.063 165 HB2 SER 23 2HB SER 23 6.366 2.408 -9.908 166 HB3 SER 23 1HB SER 23 7.291 3.738 -9.213 167 HG SER 23 HG SER 23 8.836 1.746 -8.820 168 H ASP 24 H ASP 24 5.700 4.409 -6.999 169 HA ASP 24 HA ASP 24 2.997 3.261 -6.915 170 HB2 ASP 24 2HB ASP 24 2.401 5.069 -5.370 171 HB3 ASP 24 1HB ASP 24 3.748 4.124 -4.756 172 H GLU 25 H GLU 25 1.223 4.553 -7.594 173 HA GLU 25 HA GLU 25 1.959 6.414 -9.751 174 HB2 GLU 25 2HB GLU 25 -0.798 5.520 -9.831 175 HB3 GLU 25 1HB GLU 25 0.446 5.406 -11.061 176 HG2 GLU 25 2HG GLU 25 -0.070 3.195 -10.731 177 HG3 GLU 25 1HG GLU 25 1.296 3.403 -9.637 178 H GLY 26 H GLY 26 0.112 5.965 -6.852 179 HA2 GLY 26 2HA GLY 26 -1.053 8.646 -7.126 180 HA3 GLY 26 1HA GLY 26 -1.602 7.410 -6.006 181 H GLY 27 H GLY 27 1.745 7.506 -6.060 182 HA2 GLY 27 2HA GLY 27 3.336 8.415 -4.664 183 HA3 GLY 27 1HA GLY 27 2.194 9.695 -4.281 184 H TRP 28 H TRP 28 1.703 6.228 -3.823 185 HA TRP 28 HA TRP 28 1.256 6.781 -0.998 186 HB2 TRP 28 2HB TRP 28 0.144 4.585 -0.923 187 HB3 TRP 28 1HB TRP 28 -0.566 5.656 -2.120 188 HD1 TRP 28 HD TRP 28 -0.255 4.971 -4.702 189 HE1 TRP 28 1HE TRP 28 0.275 2.715 -5.823 190 HE3 TRP 28 3HE TRP 28 1.482 2.453 -0.610 191 HZ2 TRP 28 2HZ TRP 28 1.292 0.175 -5.042 192 HZ3 TRP 28 3HZ TRP 28 2.213 0.119 -0.875 193 HH2 TRP 28 HH TRP 28 2.120 -0.993 -3.050 194 H LEU 29 H LEU 29 3.349 4.851 -3.073 195 HA LEU 29 HA LEU 29 4.452 3.254 -0.999 196 HB2 LEU 29 2HB LEU 29 4.608 2.650 -3.382 197 HB3 LEU 29 1HB LEU 29 5.657 4.029 -3.660 198 HG LEU 29 HG LEU 29 7.263 2.973 -1.990 199 HD11 LEU 29 1HD1 LEU 29 5.746 1.430 -0.917 200 HD12 LEU 29 2HD1 LEU 29 7.046 0.535 -1.702 201 HD13 LEU 29 3HD1 LEU 29 5.451 0.608 -2.450 202 HD21 LEU 29 3HD2 LEU 29 6.657 1.547 -4.577 203 HD22 LEU 29 1HD2 LEU 29 8.155 1.393 -3.663 204 HD23 LEU 29 2HD2 LEU 29 7.709 2.948 -4.365 205 H THR 30 H THR 30 5.335 6.330 -2.463 206 HA THR 30 HA THR 30 7.782 6.711 -1.140 207 HB THR 30 HB THR 30 6.987 8.036 -3.104 208 HG1 THR 30 1HG THR 30 8.053 9.181 -0.771 209 HG21 THR 30 3HG2 THR 30 4.680 8.436 -2.177 210 HG22 THR 30 1HG2 THR 30 5.471 9.865 -2.845 211 HG23 THR 30 2HG2 THR 30 5.397 9.633 -1.097 212 H ARG 31 H ARG 31 4.631 6.697 0.095 213 HA ARG 31 HA ARG 31 5.262 8.423 2.365 214 HB2 ARG 31 2HB ARG 31 2.706 6.976 1.648 215 HB3 ARG 31 1HB ARG 31 2.899 8.101 2.984 216 HG2 ARG 31 2HG ARG 31 3.519 8.980 0.205 217 HG3 ARG 31 1HG ARG 31 1.847 8.905 0.760 218 HD2 ARG 31 2HD ARG 31 3.861 10.269 2.472 219 HD3 ARG 31 1HD ARG 31 3.276 11.095 1.031 220 HE ARG 31 HE ARG 31 1.427 10.067 3.079 221 HH11 ARG 31 1HH1 ARG 31 2.611 12.689 1.074 222 HH12 ARG 31 2HH1 ARG 31 1.328 13.769 1.517 223 HH21 ARG 31 1HH2 ARG 31 -0.264 11.465 3.635 224 HH22 ARG 31 2HH2 ARG 31 -0.322 13.063 2.962 225 H LEU 32 H LEU 32 4.482 5.070 1.606 226 HA LEU 32 HA LEU 32 4.353 4.086 4.226 227 HB2 LEU 32 2HB LEU 32 3.696 2.992 1.982 228 HB3 LEU 32 1HB LEU 32 5.369 2.468 1.913 229 HG LEU 32 HG LEU 32 4.940 1.447 4.241 230 HD11 LEU 32 1HD1 LEU 32 2.817 2.589 4.659 231 HD12 LEU 32 2HD1 LEU 32 2.639 0.835 4.705 232 HD13 LEU 32 3HD1 LEU 32 2.096 1.742 3.293 233 HD21 LEU 32 3HD2 LEU 32 3.962 -0.585 3.226 234 HD22 LEU 32 1HD2 LEU 32 5.301 0.084 2.295 235 HD23 LEU 32 2HD2 LEU 32 3.642 0.341 1.758 236 H LEU 33 H LEU 33 7.066 4.713 2.124 237 HA LEU 33 HA LEU 33 9.002 3.281 3.645 238 HB2 LEU 33 2HB LEU 33 9.314 5.542 1.673 239 HB3 LEU 33 1HB LEU 33 10.646 4.618 2.341 240 HG LEU 33 HG LEU 33 8.431 3.478 0.631 241 HD11 LEU 33 1HD1 LEU 33 10.151 3.306 -1.090 242 HD12 LEU 33 2HD1 LEU 33 11.305 4.111 -0.026 243 HD13 LEU 33 3HD1 LEU 33 9.890 4.984 -0.614 244 HD21 LEU 33 3HD2 LEU 33 9.297 1.822 2.159 245 HD22 LEU 33 1HD2 LEU 33 10.954 2.251 1.737 246 HD23 LEU 33 2HD2 LEU 33 9.905 1.497 0.536 247 H GLN 34 H GLN 34 7.327 6.131 4.232 248 HA GLN 34 HA GLN 34 9.466 7.272 5.874 249 HB2 GLN 34 2HB GLN 34 6.711 8.326 5.195 250 HB3 GLN 34 1HB GLN 34 7.888 9.169 6.189 251 HG2 GLN 34 2HG GLN 34 8.312 8.398 3.312 252 HG3 GLN 34 1HG GLN 34 7.792 9.988 3.867 253 HE21 GLN 34 1HE2 GLN 34 10.426 7.763 3.611 254 HE22 GLN 34 2HE2 GLN 34 11.678 8.867 4.069 255 H THR 35 H THR 35 6.239 5.886 6.103 256 HA THR 35 HA THR 35 6.083 6.249 8.945 257 HB THR 35 HB THR 35 4.018 4.791 8.714 258 HG1 THR 35 1HG THR 35 3.403 4.129 6.741 259 HG21 THR 35 3HG2 THR 35 4.214 7.275 7.005 260 HG22 THR 35 1HG2 THR 35 3.895 7.228 8.737 261 HG23 THR 35 2HG2 THR 35 2.716 6.560 7.609 262 H LYS 36 H LYS 36 6.964 3.614 6.779 263 HA LYS 36 HA LYS 36 7.417 1.923 9.149 264 HB2 LYS 36 2HB LYS 36 6.615 1.305 6.348 265 HB3 LYS 36 1HB LYS 36 7.537 0.104 7.245 266 HG2 LYS 36 2HG LYS 36 5.773 -0.487 8.457 267 HG3 LYS 36 1HG LYS 36 5.339 1.189 8.793 268 HD2 LYS 36 2HD LYS 36 4.320 1.324 6.545 269 HD3 LYS 36 1HD LYS 36 4.670 -0.391 6.317 270 HE2 LYS 36 2HE LYS 36 2.362 -0.080 7.022 271 HE3 LYS 36 1HE LYS 36 3.288 -0.930 8.259 272 HZ1 LYS 36 3HZ LYS 36 3.561 1.263 9.382 273 HZ2 LYS 36 1HZ LYS 36 1.971 0.700 9.333 274 HZ3 LYS 36 2HZ LYS 36 2.464 1.925 8.271 275 H ASN 37 H ASN 37 9.164 3.998 7.770 276 HA ASN 37 HA ASN 37 11.386 4.365 7.535 277 HB2 ASN 37 2HB ASN 37 11.382 2.599 9.491 278 HB3 ASN 37 1HB ASN 37 12.087 1.549 8.269 279 HD21 ASN 37 1HD2 ASN 37 12.557 4.290 10.307 280 HD22 ASN 37 2HD2 ASN 37 14.248 4.492 9.994 281 H TYR 38 H TYR 38 13.471 3.143 6.511 282 HA TYR 38 HA TYR 38 12.610 2.515 3.795 283 HB2 TYR 38 2HB TYR 38 15.388 3.065 4.874 284 HB3 TYR 38 1HB TYR 38 14.948 2.916 3.176 285 HD1 TYR 38 1HD TYR 38 13.467 4.669 2.142 286 HD2 TYR 38 2HD TYR 38 15.133 5.104 6.030 287 HE1 TYR 38 1HE TYR 38 13.034 7.090 2.051 288 HE2 TYR 38 2HE TYR 38 14.707 7.523 5.952 289 HH TYR 38 HH TYR 38 14.177 9.259 4.587 290 H ASP 39 H ASP 39 12.460 0.575 6.056 291 HA ASP 39 HA ASP 39 14.519 -1.368 5.511 292 HB2 ASP 39 2HB ASP 39 13.436 -1.117 7.766 293 HB3 ASP 39 1HB ASP 39 11.961 -1.780 7.069 294 H ILE 40 H ILE 40 14.456 -2.155 3.517 295 HA ILE 40 HA ILE 40 12.273 -2.526 1.859 296 HB ILE 40 HB ILE 40 14.826 -4.149 1.900 297 HG12 ILE 40 2HG1 ILE 40 14.181 -1.689 0.265 298 HG13 ILE 40 1HG1 ILE 40 15.067 -1.631 1.784 299 HG21 ILE 40 1HG2 ILE 40 13.055 -5.161 0.539 300 HG22 ILE 40 2HG2 ILE 40 14.381 -4.561 -0.456 301 HG23 ILE 40 3HG2 ILE 40 12.877 -3.647 -0.348 302 HD11 ILE 40 3HD1 ILE 40 15.942 -3.214 -0.617 303 HD12 ILE 40 1HD1 ILE 40 16.859 -2.908 0.858 304 HD13 ILE 40 2HD1 ILE 40 16.494 -1.580 -0.246 305 H GLY 41 H GLY 41 13.693 -4.765 4.202 306 HA2 GLY 41 2HA GLY 41 12.265 -7.067 3.526 307 HA3 GLY 41 1HA GLY 41 12.894 -6.704 5.125 308 H ALA 42 H ALA 42 11.446 -4.630 5.999 309 HA ALA 42 HA ALA 42 8.997 -5.813 6.733 310 HB1 ALA 42 1HB ALA 42 8.501 -3.712 7.839 311 HB2 ALA 42 2HB ALA 42 9.792 -2.910 6.942 312 HB3 ALA 42 3HB ALA 42 10.180 -4.165 8.120 313 H ALA 43 H ALA 43 9.791 -3.299 4.366 314 HA ALA 43 HA ALA 43 7.176 -2.574 3.654 315 HB1 ALA 43 1HB ALA 43 9.629 -2.573 1.898 316 HB2 ALA 43 2HB ALA 43 9.184 -1.298 3.032 317 HB3 ALA 43 3HB ALA 43 8.155 -1.639 1.639 318 H LEU 44 H LEU 44 9.353 -4.988 2.222 319 HA LEU 44 HA LEU 44 7.566 -5.846 0.208 320 HB2 LEU 44 2HB LEU 44 10.124 -6.206 0.512 321 HB3 LEU 44 1HB LEU 44 9.649 -7.622 1.430 322 HG LEU 44 HG LEU 44 8.430 -8.465 -0.561 323 HD11 LEU 44 1HD1 LEU 44 9.637 -6.032 -1.862 324 HD12 LEU 44 2HD1 LEU 44 7.927 -6.437 -1.718 325 HD13 LEU 44 3HD1 LEU 44 8.981 -7.404 -2.751 326 HD21 LEU 44 3HD2 LEU 44 11.344 -7.835 -1.025 327 HD22 LEU 44 1HD2 LEU 44 10.417 -9.111 -1.811 328 HD23 LEU 44 2HD2 LEU 44 10.717 -9.183 -0.074 329 H ASP 45 H ASP 45 8.016 -6.773 3.551 330 HA ASP 45 HA ASP 45 6.482 -9.168 3.458 331 HB2 ASP 45 2HB ASP 45 8.163 -8.542 5.230 332 HB3 ASP 45 1HB ASP 45 6.972 -7.414 5.864 333 H THR 46 H THR 46 5.732 -5.805 4.061 334 HA THR 46 HA THR 46 3.179 -6.068 5.159 335 HB THR 46 HB THR 46 4.099 -3.830 3.346 336 HG1 THR 46 1HG THR 46 5.500 -4.396 5.238 337 HG21 THR 46 3HG2 THR 46 2.545 -2.456 4.630 338 HG22 THR 46 1HG2 THR 46 2.088 -3.857 5.598 339 HG23 THR 46 2HG2 THR 46 1.699 -3.810 3.879 340 H ILE 47 H ILE 47 4.250 -6.276 1.823 341 HA ILE 47 HA ILE 47 1.458 -6.407 0.955 342 HB ILE 47 HB ILE 47 2.379 -6.263 -1.364 343 HG12 ILE 47 2HG1 ILE 47 4.869 -5.089 -0.927 344 HG13 ILE 47 1HG1 ILE 47 4.878 -6.517 0.108 345 HG21 ILE 47 1HG2 ILE 47 3.188 -3.994 0.453 346 HG22 ILE 47 2HG2 ILE 47 1.537 -4.316 -0.076 347 HG23 ILE 47 3HG2 ILE 47 2.774 -3.885 -1.258 348 HD11 ILE 47 3HD1 ILE 47 4.274 -6.507 -2.837 349 HD12 ILE 47 1HD1 ILE 47 4.368 -7.921 -1.791 350 HD13 ILE 47 2HD1 ILE 47 5.812 -6.959 -2.102 351 H GLN 48 H GLN 48 3.703 -8.458 2.034 352 HA GLN 48 HA GLN 48 3.891 -10.699 2.120 353 HB2 GLN 48 2HB GLN 48 1.234 -10.295 1.485 354 HB3 GLN 48 1HB GLN 48 1.766 -11.451 0.274 355 HG2 GLN 48 2HG GLN 48 2.263 -11.834 3.206 356 HG3 GLN 48 1HG GLN 48 0.798 -12.398 2.409 357 HE21 GLN 48 1HE2 GLN 48 2.979 -13.867 3.744 358 HE22 GLN 48 2HE2 GLN 48 3.557 -14.998 2.569 359 H TYR 49 H TYR 49 3.029 -9.812 -1.240 360 HA TYR 49 HA TYR 49 4.320 -11.916 -2.528 361 HB2 TYR 49 2HB TYR 49 3.827 -9.091 -3.463 362 HB3 TYR 49 1HB TYR 49 4.411 -10.376 -4.513 363 HD1 TYR 49 2HD TYR 49 2.934 -12.531 -4.570 364 HD2 TYR 49 1HD TYR 49 1.547 -8.726 -3.287 365 HE1 TYR 49 2HE TYR 49 0.619 -13.242 -4.994 366 HE2 TYR 49 1HE TYR 49 -0.774 -9.423 -3.700 367 HH TYR 49 HH TYR 49 -1.999 -11.060 -5.007 368 H SER 50 H SER 50 6.316 -12.406 -1.729 369 HA SER 50 HA SER 50 8.406 -10.367 -2.026 370 HB2 SER 50 2HB SER 50 9.592 -12.357 -0.604 371 HB3 SER 50 1HB SER 50 8.731 -11.000 0.128 372 HG SER 50 HG SER 50 6.893 -12.277 0.283 373 H LYS 51 H LYS 51 7.716 -13.801 -2.623 374 HA LYS 51 HA LYS 51 10.109 -14.287 -4.073 375 HB2 LYS 51 2HB LYS 51 7.499 -15.799 -4.002 376 HB3 LYS 51 1HB LYS 51 8.949 -16.369 -4.812 377 HG2 LYS 51 2HG LYS 51 10.129 -16.286 -2.626 378 HG3 LYS 51 1HG LYS 51 8.587 -15.890 -1.867 379 HD2 LYS 51 2HD LYS 51 8.955 -18.252 -1.641 380 HD3 LYS 51 1HD LYS 51 7.652 -18.003 -2.808 381 HE2 LYS 51 2HE LYS 51 9.134 -18.397 -4.640 382 HE3 LYS 51 1HE LYS 51 10.538 -18.422 -3.573 383 HZ1 LYS 51 3HZ LYS 51 9.654 -20.417 -2.539 384 HZ2 LYS 51 1HZ LYS 51 9.870 -20.641 -4.201 385 HZ3 LYS 51 2HZ LYS 51 8.321 -20.393 -3.579 386 H HIS 52 H HIS 52 6.727 -13.988 -5.181 387 HA HIS 52 HA HIS 52 7.710 -12.808 -7.664 388 HB2 HIS 52 2HB HIS 52 6.727 -15.473 -7.462 389 HB3 HIS 52 1HB HIS 52 5.533 -14.521 -8.336 390 HD1 HIS 52 1HD HIS 52 6.028 -15.606 -10.606 391 HD2 HIS 52 2HD HIS 52 9.353 -13.842 -8.832 392 HE1 HIS 52 1HE HIS 52 7.812 -15.564 -12.386 393 HE2 HIS 52 2HE HIS 52 9.800 -14.451 -11.307 394 H1 GLY 1 1HT GLY 1 -17.516 19.228 2.269 395 H2 GLY 1 2HT GLY 1 -16.560 18.030 2.979 396 H3 GLY 1 3HT GLY 1 -16.931 19.437 3.842 397 HA2 GLY 1 1HA GLY 1 -18.271 17.624 4.641 398 HA3 GLY 1 2HA GLY 1 -19.271 18.840 3.858 399 H SER 2 H SER 2 -20.524 16.608 4.026 400 HA SER 2 HA SER 2 -20.032 15.033 1.606 401 HB2 SER 2 2HB SER 2 -22.082 14.324 3.680 402 HB3 SER 2 1HB SER 2 -21.145 13.259 2.629 403 HG SER 2 HG SER 2 -20.325 13.136 4.716 404 HA PRO 3 HA PRO 3 -23.536 17.509 0.144 405 HB2 PRO 3 2HB PRO 3 -22.984 17.325 -2.477 406 HB3 PRO 3 1HB PRO 3 -22.072 18.401 -1.412 407 HG2 PRO 3 2HG PRO 3 -21.334 15.701 -2.463 408 HG3 PRO 3 1HG PRO 3 -20.326 17.147 -2.286 409 HD2 PRO 3 2HD PRO 3 -20.347 15.046 -0.509 410 HD3 PRO 3 1HD PRO 3 -19.873 16.704 -0.088 411 HA PRO 4 HA PRO 4 -26.387 14.222 -0.745 412 HB2 PRO 4 2HB PRO 4 -27.886 16.184 -2.370 413 HB3 PRO 4 1HB PRO 4 -28.403 15.277 -0.946 414 HG2 PRO 4 2HG PRO 4 -27.905 17.892 -0.790 415 HG3 PRO 4 1HG PRO 4 -27.452 16.797 0.527 416 HD2 PRO 4 2HD PRO 4 -25.728 17.982 -1.622 417 HD3 PRO 4 1HD PRO 4 -25.397 17.800 0.115 418 H GLU 5 H GLU 5 -24.657 15.904 -3.131 419 HA GLU 5 HA GLU 5 -25.692 14.538 -5.425 420 HB2 GLU 5 2HB GLU 5 -23.288 16.276 -4.922 421 HB3 GLU 5 1HB GLU 5 -23.500 15.445 -6.457 422 HG2 GLU 5 2HG GLU 5 -25.290 17.527 -5.236 423 HG3 GLU 5 1HG GLU 5 -24.338 17.648 -6.714 424 H ALA 6 H ALA 6 -23.324 13.924 -3.003 425 HA ALA 6 HA ALA 6 -21.958 11.865 -4.501 426 HB1 ALA 6 1HB ALA 6 -21.765 12.543 -1.563 427 HB2 ALA 6 2HB ALA 6 -20.764 13.244 -2.834 428 HB3 ALA 6 3HB ALA 6 -20.659 11.520 -2.483 429 H ASP 7 H ASP 7 -22.553 9.802 -4.585 430 HA ASP 7 HA ASP 7 -24.988 8.902 -3.566 431 HB2 ASP 7 2HB ASP 7 -23.744 7.903 -5.511 432 HB3 ASP 7 1HB ASP 7 -22.653 7.149 -4.353 433 HA PRO 8 HA PRO 8 -24.050 8.240 0.708 434 HB2 PRO 8 2HB PRO 8 -26.138 6.532 1.227 435 HB3 PRO 8 1HB PRO 8 -26.279 8.294 1.168 436 HG2 PRO 8 2HG PRO 8 -26.913 6.267 -0.947 437 HG3 PRO 8 1HG PRO 8 -27.827 7.708 -0.462 438 HD2 PRO 8 2HD PRO 8 -26.300 7.716 -2.656 439 HD3 PRO 8 1HD PRO 8 -26.410 9.151 -1.613 440 H ARG 9 H ARG 9 -24.325 5.660 -1.621 441 HA ARG 9 HA ARG 9 -23.224 3.731 0.277 442 HB2 ARG 9 2HB ARG 9 -24.133 3.403 -2.588 443 HB3 ARG 9 1HB ARG 9 -23.541 2.101 -1.565 444 HG2 ARG 9 2HG ARG 9 -25.475 1.926 -0.441 445 HG3 ARG 9 1HG ARG 9 -25.731 3.670 -0.408 446 HD2 ARG 9 2HD ARG 9 -26.164 1.918 -2.824 447 HD3 ARG 9 1HD ARG 9 -27.434 2.431 -1.719 448 HE ARG 9 HE ARG 9 -25.809 4.355 -3.267 449 HH11 ARG 9 1HH1 ARG 9 -28.921 3.195 -2.111 450 HH12 ARG 9 2HH1 ARG 9 -29.816 4.466 -2.877 451 HH21 ARG 9 1HH2 ARG 9 -26.999 6.007 -4.283 452 HH22 ARG 9 2HH2 ARG 9 -28.729 6.061 -4.099 453 H LEU 10 H LEU 10 -22.321 5.714 -2.417 454 HA LEU 10 HA LEU 10 -19.889 4.389 -3.075 455 HB2 LEU 10 2HB LEU 10 -20.965 5.879 -4.659 456 HB3 LEU 10 1HB LEU 10 -20.811 7.225 -3.547 457 HG LEU 10 HG LEU 10 -18.345 7.103 -3.778 458 HD11 LEU 10 1HD1 LEU 10 -17.414 5.774 -5.639 459 HD12 LEU 10 2HD1 LEU 10 -18.987 5.003 -5.845 460 HD13 LEU 10 3HD1 LEU 10 -18.080 4.771 -4.350 461 HD21 LEU 10 3HD2 LEU 10 -19.866 7.385 -6.365 462 HD22 LEU 10 1HD2 LEU 10 -18.250 8.015 -6.048 463 HD23 LEU 10 2HD2 LEU 10 -19.633 8.646 -5.153 464 H ILE 11 H ILE 11 -20.762 6.994 -0.873 465 HA ILE 11 HA ILE 11 -18.053 7.576 -0.142 466 HB ILE 11 HB ILE 11 -19.879 9.244 0.056 467 HG12 ILE 11 2HG1 ILE 11 -18.608 8.647 2.736 468 HG13 ILE 11 1HG1 ILE 11 -17.750 9.381 1.386 469 HG21 ILE 11 1HG2 ILE 11 -21.410 9.126 1.981 470 HG22 ILE 11 2HG2 ILE 11 -20.820 7.501 2.324 471 HG23 ILE 11 3HG2 ILE 11 -21.672 7.828 0.816 472 HD11 ILE 11 3HD1 ILE 11 -19.236 11.288 1.446 473 HD12 ILE 11 1HD1 ILE 11 -18.499 11.027 3.026 474 HD13 ILE 11 2HD1 ILE 11 -20.169 10.541 2.745 475 H GLU 12 H GLU 12 -20.363 5.207 0.742 476 HA GLU 12 HA GLU 12 -19.306 4.655 3.347 477 HB2 GLU 12 2HB GLU 12 -21.324 3.340 1.573 478 HB3 GLU 12 1HB GLU 12 -20.675 2.462 2.951 479 HG2 GLU 12 2HG GLU 12 -22.335 4.947 2.910 480 HG3 GLU 12 1HG GLU 12 -22.605 3.439 3.780 481 H SER 13 H SER 13 -18.307 3.934 0.194 482 HA SER 13 HA SER 13 -17.167 1.384 0.566 483 HB2 SER 13 2HB SER 13 -16.109 3.566 -1.245 484 HB3 SER 13 1HB SER 13 -15.921 1.823 -1.445 485 HG SER 13 HG SER 13 -18.496 2.233 -1.287 486 H LEU 14 H LEU 14 -16.157 4.594 1.443 487 HA LEU 14 HA LEU 14 -13.440 3.905 2.029 488 HB2 LEU 14 2HB LEU 14 -15.158 6.297 2.670 489 HB3 LEU 14 1HB LEU 14 -13.527 6.137 3.290 490 HG LEU 14 HG LEU 14 -12.839 5.863 0.804 491 HD11 LEU 14 1HD1 LEU 14 -14.296 7.037 -0.770 492 HD12 LEU 14 2HD1 LEU 14 -15.525 7.194 0.485 493 HD13 LEU 14 3HD1 LEU 14 -15.072 5.598 -0.112 494 HD21 LEU 14 3HD2 LEU 14 -13.810 8.509 1.878 495 HD22 LEU 14 1HD2 LEU 14 -12.662 8.294 0.557 496 HD23 LEU 14 2HD2 LEU 14 -12.238 7.774 2.189 497 H SER 15 H SER 15 -16.416 4.354 3.906 498 HA SER 15 HA SER 15 -15.245 3.899 6.435 499 HB2 SER 15 2HB SER 15 -18.028 3.079 6.271 500 HB3 SER 15 1HB SER 15 -17.306 4.410 7.172 501 HG SER 15 HG SER 15 -18.862 4.672 5.171 502 H GLN 16 H GLN 16 -16.436 1.787 3.934 503 HA GLN 16 HA GLN 16 -16.769 -0.560 5.428 504 HB2 GLN 16 2HB GLN 16 -17.521 -0.234 3.073 505 HB3 GLN 16 1HB GLN 16 -15.843 -0.354 2.559 506 HG2 GLN 16 2HG GLN 16 -17.111 -2.443 2.255 507 HG3 GLN 16 1HG GLN 16 -15.713 -2.627 3.309 508 HE21 GLN 16 1HE2 GLN 16 -16.011 -3.108 5.460 509 HE22 GLN 16 2HE2 GLN 16 -17.545 -3.565 6.117 510 H MET 17 H MET 17 -13.908 0.895 3.988 511 HA MET 17 HA MET 17 -12.171 -1.302 4.457 512 HB2 MET 17 2HB MET 17 -11.518 1.642 4.188 513 HB3 MET 17 1HB MET 17 -10.347 0.334 4.122 514 HG2 MET 17 2HG MET 17 -12.532 0.952 2.155 515 HG3 MET 17 1HG MET 17 -10.790 1.013 1.896 516 HE1 MET 17 3HE MET 17 -9.261 -1.005 1.544 517 HE2 MET 17 1HE MET 17 -9.749 -2.694 1.688 518 HE3 MET 17 2HE MET 17 -9.667 -1.673 3.126 519 H LEU 18 H LEU 18 -12.885 1.664 6.242 520 HA LEU 18 HA LEU 18 -11.149 1.213 8.410 521 HB2 LEU 18 2HB LEU 18 -12.155 3.388 7.886 522 HB3 LEU 18 1HB LEU 18 -13.741 2.758 8.279 523 HG LEU 18 HG LEU 18 -12.972 2.426 10.625 524 HD11 LEU 18 1HD1 LEU 18 -10.545 3.924 9.654 525 HD12 LEU 18 2HD1 LEU 18 -10.587 2.271 10.264 526 HD13 LEU 18 3HD1 LEU 18 -10.943 3.620 11.345 527 HD21 LEU 18 3HD2 LEU 18 -14.270 4.372 10.053 528 HD22 LEU 18 1HD2 LEU 18 -12.825 5.213 9.493 529 HD23 LEU 18 2HD2 LEU 18 -13.014 4.828 11.201 530 H SER 19 H SER 19 -14.486 0.298 7.785 531 HA SER 19 HA SER 19 -15.094 -0.757 10.329 532 HB2 SER 19 2HB SER 19 -16.524 -0.269 8.057 533 HB3 SER 19 1HB SER 19 -16.394 -2.023 7.992 534 HG SER 19 HG SER 19 -17.971 -0.492 9.539 535 H MET 20 H MET 20 -13.370 -2.008 7.593 536 HA MET 20 HA MET 20 -13.425 -4.756 8.482 537 HB2 MET 20 2HB MET 20 -13.298 -3.997 6.066 538 HB3 MET 20 1HB MET 20 -11.646 -3.497 6.390 539 HG2 MET 20 2HG MET 20 -11.068 -5.804 6.970 540 HG3 MET 20 1HG MET 20 -12.719 -6.299 6.607 541 HE1 MET 20 3HE MET 20 -13.269 -4.413 3.907 542 HE2 MET 20 1HE MET 20 -13.828 -6.048 4.267 543 HE3 MET 20 2HE MET 20 -12.965 -5.723 2.765 544 H GLY 21 H GLY 21 -11.675 -1.960 9.210 545 HA2 GLY 21 2HA GLY 21 -10.161 -1.893 11.047 546 HA3 GLY 21 1HA GLY 21 -9.700 -3.551 10.689 547 H PHE 22 H PHE 22 -9.961 -1.669 7.904 548 HA PHE 22 HA PHE 22 -7.040 -1.507 7.751 549 HB2 PHE 22 2HB PHE 22 -9.190 -2.038 5.821 550 HB3 PHE 22 1HB PHE 22 -7.966 -0.921 5.236 551 HD1 PHE 22 1HD PHE 22 -5.572 -1.638 5.227 552 HD2 PHE 22 2HD PHE 22 -8.774 -4.345 5.943 553 HE1 PHE 22 1HE PHE 22 -4.092 -3.526 4.688 554 HE2 PHE 22 2HE PHE 22 -7.299 -6.240 5.408 555 HZ PHE 22 HZ PHE 22 -4.951 -5.828 4.779 556 H SER 23 H SER 23 -6.093 0.360 7.968 557 HA SER 23 HA SER 23 -7.214 2.778 6.870 558 HB2 SER 23 2HB SER 23 -6.701 3.892 9.211 559 HB3 SER 23 1HB SER 23 -8.264 3.134 8.910 560 HG SER 23 HG SER 23 -7.380 2.450 10.897 561 H ASP 24 H ASP 24 -5.609 4.528 6.859 562 HA ASP 24 HA ASP 24 -2.908 3.392 6.813 563 HB2 ASP 24 2HB ASP 24 -2.371 5.510 5.492 564 HB3 ASP 24 1HB ASP 24 -3.389 4.314 4.706 565 H GLU 25 H GLU 25 -1.136 4.984 7.272 566 HA GLU 25 HA GLU 25 -1.758 6.467 9.747 567 HB2 GLU 25 2HB GLU 25 1.037 5.955 9.540 568 HB3 GLU 25 1HB GLU 25 -0.095 5.321 10.725 569 HG2 GLU 25 2HG GLU 25 0.907 3.432 9.809 570 HG3 GLU 25 1HG GLU 25 -0.652 3.534 8.993 571 H GLY 26 H GLY 26 0.375 6.355 6.911 572 HA2 GLY 26 2HA GLY 26 0.923 9.222 7.195 573 HA3 GLY 26 1HA GLY 26 1.744 8.112 6.105 574 H GLY 27 H GLY 27 -1.545 7.605 6.028 575 HA2 GLY 27 2HA GLY 27 -3.258 8.259 4.646 576 HA3 GLY 27 1HA GLY 27 -2.319 9.679 4.217 577 H TRP 28 H TRP 28 -1.560 6.226 3.809 578 HA TRP 28 HA TRP 28 -1.016 6.794 0.998 579 HB2 TRP 28 2HB TRP 28 0.309 4.827 0.952 580 HB3 TRP 28 1HB TRP 28 0.680 5.629 2.469 581 HD1 TRP 28 HD TRP 28 -0.122 4.423 4.726 582 HE1 TRP 28 1HE TRP 28 -0.742 1.975 5.214 583 HE3 TRP 28 3HE TRP 28 -0.798 2.781 -0.068 584 HZ2 TRP 28 2HZ TRP 28 -1.424 -0.356 3.759 585 HZ3 TRP 28 3HZ TRP 28 -1.435 0.433 -0.438 586 HH2 TRP 28 HH TRP 28 -1.743 -1.099 1.441 587 H LEU 29 H LEU 29 -3.284 5.079 2.990 588 HA LEU 29 HA LEU 29 -4.271 3.362 0.907 589 HB2 LEU 29 2HB LEU 29 -4.401 2.827 3.341 590 HB3 LEU 29 1HB LEU 29 -5.571 4.117 3.529 591 HG LEU 29 HG LEU 29 -7.029 2.865 1.861 592 HD11 LEU 29 1HD1 LEU 29 -5.279 1.426 0.928 593 HD12 LEU 29 2HD1 LEU 29 -6.615 0.485 1.595 594 HD13 LEU 29 3HD1 LEU 29 -5.106 0.634 2.495 595 HD21 LEU 29 3HD2 LEU 29 -6.389 1.515 4.480 596 HD22 LEU 29 1HD2 LEU 29 -7.885 1.346 3.561 597 HD23 LEU 29 2HD2 LEU 29 -7.456 2.904 4.272 598 H THR 30 H THR 30 -5.217 6.425 2.379 599 HA THR 30 HA THR 30 -7.658 6.768 1.034 600 HB THR 30 HB THR 30 -6.943 8.155 2.952 601 HG1 THR 30 1HG THR 30 -8.215 8.973 0.761 602 HG21 THR 30 3HG2 THR 30 -5.117 9.499 0.957 603 HG22 THR 30 1HG2 THR 30 -4.610 8.528 2.340 604 HG23 THR 30 2HG2 THR 30 -5.442 10.065 2.596 605 H ARG 31 H ARG 31 -4.372 7.172 -0.003 606 HA ARG 31 HA ARG 31 -5.047 8.616 -2.416 607 HB2 ARG 31 2HB ARG 31 -2.439 7.267 -1.656 608 HB3 ARG 31 1HB ARG 31 -2.670 8.466 -2.923 609 HG2 ARG 31 2HG ARG 31 -3.291 9.093 -0.061 610 HG3 ARG 31 1HG ARG 31 -1.650 9.223 -0.699 611 HD2 ARG 31 2HD ARG 31 -4.017 10.602 -1.952 612 HD3 ARG 31 1HD ARG 31 -3.024 11.349 -0.700 613 HE ARG 31 HE ARG 31 -2.242 10.753 -3.450 614 HH11 ARG 31 1HH1 ARG 31 -1.380 12.015 -0.291 615 HH12 ARG 31 2HH1 ARG 31 0.101 12.731 -0.846 616 HH21 ARG 31 1HH2 ARG 31 -0.294 11.693 -4.169 617 HH22 ARG 31 2HH2 ARG 31 0.718 12.549 -3.046 618 H LEU 32 H LEU 32 -4.213 5.361 -1.417 619 HA LEU 32 HA LEU 32 -3.940 4.128 -3.900 620 HB2 LEU 32 2HB LEU 32 -3.390 3.123 -1.685 621 HB3 LEU 32 1HB LEU 32 -5.107 2.928 -1.384 622 HG LEU 32 HG LEU 32 -5.008 1.586 -3.669 623 HD11 LEU 32 1HD1 LEU 32 -2.654 2.053 -4.096 624 HD12 LEU 32 2HD1 LEU 32 -2.931 0.326 -3.868 625 HD13 LEU 32 3HD1 LEU 32 -2.215 1.282 -2.570 626 HD21 LEU 32 3HD2 LEU 32 -4.730 -0.464 -2.371 627 HD22 LEU 32 1HD2 LEU 32 -5.754 0.692 -1.523 628 HD23 LEU 32 2HD2 LEU 32 -4.076 0.469 -1.023 629 H LEU 33 H LEU 33 -6.829 4.640 -1.912 630 HA LEU 33 HA LEU 33 -8.637 3.286 -3.606 631 HB2 LEU 33 2HB LEU 33 -9.032 5.446 -1.546 632 HB3 LEU 33 1HB LEU 33 -10.366 4.698 -2.402 633 HG LEU 33 HG LEU 33 -8.393 3.193 -0.686 634 HD11 LEU 33 1HD1 LEU 33 -10.189 3.060 0.962 635 HD12 LEU 33 2HD1 LEU 33 -11.196 4.102 -0.044 636 HD13 LEU 33 3HD1 LEU 33 -9.710 4.731 0.666 637 HD21 LEU 33 3HD2 LEU 33 -9.377 1.784 -2.377 638 HD22 LEU 33 1HD2 LEU 33 -10.992 2.374 -1.985 639 HD23 LEU 33 2HD2 LEU 33 -10.097 1.401 -0.816 640 H GLN 34 H GLN 34 -7.080 6.291 -3.967 641 HA GLN 34 HA GLN 34 -9.131 7.325 -5.765 642 HB2 GLN 34 2HB GLN 34 -6.569 8.489 -4.678 643 HB3 GLN 34 1HB GLN 34 -7.497 9.279 -5.945 644 HG2 GLN 34 2HG GLN 34 -8.484 8.622 -3.178 645 HG3 GLN 34 1HG GLN 34 -8.000 10.213 -3.760 646 HE21 GLN 34 1HE2 GLN 34 -10.555 9.314 -2.691 647 HE22 GLN 34 2HE2 GLN 34 -11.738 9.626 -3.914 648 H THR 35 H THR 35 -6.183 5.581 -5.835 649 HA THR 35 HA THR 35 -5.768 6.194 -8.669 650 HB THR 35 HB THR 35 -3.913 4.435 -7.109 651 HG1 THR 35 1HG THR 35 -4.502 6.629 -6.049 652 HG21 THR 35 3HG2 THR 35 -3.558 6.464 -9.319 653 HG22 THR 35 1HG2 THR 35 -3.507 4.709 -9.484 654 HG23 THR 35 2HG2 THR 35 -2.252 5.546 -8.570 655 H LYS 36 H LYS 36 -6.638 3.580 -6.501 656 HA LYS 36 HA LYS 36 -6.811 1.718 -8.779 657 HB2 LYS 36 2HB LYS 36 -6.330 1.377 -5.868 658 HB3 LYS 36 1HB LYS 36 -7.276 0.128 -6.660 659 HG2 LYS 36 2HG LYS 36 -5.181 -0.739 -6.874 660 HG3 LYS 36 1HG LYS 36 -5.294 0.167 -8.384 661 HD2 LYS 36 2HD LYS 36 -3.942 1.903 -7.566 662 HD3 LYS 36 1HD LYS 36 -4.130 1.376 -5.891 663 HE2 LYS 36 2HE LYS 36 -1.980 0.672 -6.440 664 HE3 LYS 36 1HE LYS 36 -2.956 -0.781 -6.657 665 HZ1 LYS 36 3HZ LYS 36 -3.029 -0.289 -9.042 666 HZ2 LYS 36 1HZ LYS 36 -1.443 -0.503 -8.495 667 HZ3 LYS 36 2HZ LYS 36 -2.026 1.060 -8.801 668 H ASN 37 H ASN 37 -8.707 3.907 -7.625 669 HA ASN 37 HA ASN 37 -10.941 4.299 -7.660 670 HB2 ASN 37 2HB ASN 37 -10.749 2.397 -9.525 671 HB3 ASN 37 1HB ASN 37 -11.671 1.487 -8.334 672 HD21 ASN 37 1HD2 ASN 37 -12.334 2.591 -11.024 673 HD22 ASN 37 2HD2 ASN 37 -13.775 3.513 -10.775 674 H TYR 38 H TYR 38 -13.086 3.360 -6.648 675 HA TYR 38 HA TYR 38 -12.387 2.731 -3.899 676 HB2 TYR 38 2HB TYR 38 -15.136 3.214 -5.064 677 HB3 TYR 38 1HB TYR 38 -14.676 3.280 -3.369 678 HD1 TYR 38 1HD TYR 38 -12.874 5.092 -2.760 679 HD2 TYR 38 2HD TYR 38 -15.254 5.168 -6.287 680 HE1 TYR 38 1HE TYR 38 -12.498 7.516 -2.957 681 HE2 TYR 38 2HE TYR 38 -14.881 7.591 -6.495 682 HH TYR 38 HH TYR 38 -14.322 9.516 -4.804 683 H ASP 39 H ASP 39 -12.124 0.659 -6.002 684 HA ASP 39 HA ASP 39 -14.267 -1.204 -5.413 685 HB2 ASP 39 2HB ASP 39 -13.336 -1.095 -7.696 686 HB3 ASP 39 1HB ASP 39 -11.772 -1.622 -7.073 687 H ILE 40 H ILE 40 -14.250 -2.375 -3.660 688 HA ILE 40 HA ILE 40 -12.038 -2.616 -1.923 689 HB ILE 40 HB ILE 40 -14.505 -4.361 -1.949 690 HG12 ILE 40 2HG1 ILE 40 -14.114 -1.736 -0.496 691 HG13 ILE 40 1HG1 ILE 40 -15.014 -1.899 -1.999 692 HG21 ILE 40 1HG2 ILE 40 -12.733 -5.164 -0.493 693 HG22 ILE 40 2HG2 ILE 40 -14.087 -4.554 0.456 694 HG23 ILE 40 3HG2 ILE 40 -12.628 -3.580 0.280 695 HD11 ILE 40 3HD1 ILE 40 -15.694 -3.243 0.606 696 HD12 ILE 40 1HD1 ILE 40 -16.594 -3.388 -0.902 697 HD13 ILE 40 2HD1 ILE 40 -16.499 -1.830 -0.082 698 H GLY 41 H GLY 41 -13.361 -4.745 -4.408 699 HA2 GLY 41 2HA GLY 41 -11.976 -7.093 -3.761 700 HA3 GLY 41 1HA GLY 41 -12.534 -6.660 -5.370 701 H ALA 42 H ALA 42 -11.120 -4.608 -6.154 702 HA ALA 42 HA ALA 42 -8.616 -5.652 -6.837 703 HB1 ALA 42 1HB ALA 42 -8.118 -3.427 -7.720 704 HB2 ALA 42 2HB ALA 42 -9.497 -2.767 -6.843 705 HB3 ALA 42 3HB ALA 42 -9.755 -3.924 -8.149 706 H ALA 43 H ALA 43 -9.564 -3.385 -4.321 707 HA ALA 43 HA ALA 43 -7.036 -2.605 -3.436 708 HB1 ALA 43 1HB ALA 43 -9.519 -2.900 -1.748 709 HB2 ALA 43 2HB ALA 43 -9.160 -1.521 -2.786 710 HB3 ALA 43 3HB ALA 43 -8.119 -1.879 -1.411 711 H LEU 44 H LEU 44 -9.097 -5.235 -2.192 712 HA LEU 44 HA LEU 44 -7.291 -6.116 -0.214 713 HB2 LEU 44 2HB LEU 44 -9.809 -6.942 -1.339 714 HB3 LEU 44 1HB LEU 44 -8.785 -8.337 -1.051 715 HG LEU 44 HG LEU 44 -8.494 -7.550 1.308 716 HD11 LEU 44 1HD1 LEU 44 -10.040 -5.909 2.197 717 HD12 LEU 44 2HD1 LEU 44 -10.692 -5.618 0.584 718 HD13 LEU 44 3HD1 LEU 44 -9.020 -5.191 0.950 719 HD21 LEU 44 3HD2 LEU 44 -10.070 -9.311 0.809 720 HD22 LEU 44 1HD2 LEU 44 -11.310 -8.127 0.388 721 HD23 LEU 44 2HD2 LEU 44 -10.737 -8.252 2.051 722 H ASP 45 H ASP 45 -7.767 -7.079 -3.563 723 HA ASP 45 HA ASP 45 -5.986 -9.285 -3.527 724 HB2 ASP 45 2HB ASP 45 -7.795 -8.860 -5.244 725 HB3 ASP 45 1HB ASP 45 -6.761 -7.605 -5.920 726 H THR 46 H THR 46 -5.466 -5.915 -3.558 727 HA THR 46 HA THR 46 -3.102 -5.745 -5.073 728 HB THR 46 HB THR 46 -3.961 -4.004 -2.753 729 HG1 THR 46 1HG THR 46 -5.488 -4.150 -4.505 730 HG21 THR 46 3HG2 THR 46 -2.150 -3.299 -5.063 731 HG22 THR 46 1HG2 THR 46 -1.555 -3.802 -3.480 732 HG23 THR 46 2HG2 THR 46 -2.510 -2.326 -3.637 733 H ILE 47 H ILE 47 -3.534 -6.559 -1.615 734 HA ILE 47 HA ILE 47 -0.604 -6.896 -1.514 735 HB ILE 47 HB ILE 47 -0.599 -6.202 0.825 736 HG12 ILE 47 2HG1 ILE 47 -3.460 -5.324 0.419 737 HG13 ILE 47 1HG1 ILE 47 -3.028 -6.839 1.211 738 HG21 ILE 47 1HG2 ILE 47 -0.790 -3.848 0.451 739 HG22 ILE 47 2HG2 ILE 47 -1.900 -4.096 -0.898 740 HG23 ILE 47 3HG2 ILE 47 -0.212 -4.587 -1.042 741 HD11 ILE 47 3HD1 ILE 47 -3.458 -5.206 2.891 742 HD12 ILE 47 1HD1 ILE 47 -2.363 -4.051 2.130 743 HD13 ILE 47 2HD1 ILE 47 -1.723 -5.522 2.866 744 H GLN 48 H GLN 48 -2.767 -8.917 -1.939 745 HA GLN 48 HA GLN 48 -3.056 -11.123 -1.474 746 HB2 GLN 48 2HB GLN 48 -0.550 -10.550 -0.111 747 HB3 GLN 48 1HB GLN 48 -1.472 -11.796 0.709 748 HG2 GLN 48 2HG GLN 48 -0.740 -11.853 -2.209 749 HG3 GLN 48 1HG GLN 48 0.160 -12.658 -0.928 750 HE21 GLN 48 1HE2 GLN 48 -2.696 -12.687 -2.884 751 HE22 GLN 48 2HE2 GLN 48 -3.236 -14.266 -2.428 752 H TYR 49 H TYR 49 -2.528 -9.372 1.576 753 HA TYR 49 HA TYR 49 -4.030 -10.861 3.311 754 HB2 TYR 49 2HB TYR 49 -3.632 -7.873 3.183 755 HB3 TYR 49 1HB TYR 49 -4.433 -8.669 4.533 756 HD1 TYR 49 2HD TYR 49 -1.230 -8.232 2.774 757 HD2 TYR 49 1HD TYR 49 -3.170 -9.918 6.160 758 HE1 TYR 49 2HE TYR 49 0.959 -8.643 3.811 759 HE2 TYR 49 1HE TYR 49 -0.985 -10.328 7.212 760 HH TYR 49 HH TYR 49 1.885 -8.946 6.097 761 H SER 50 H SER 50 -5.986 -11.618 3.069 762 HA SER 50 HA SER 50 -8.181 -9.787 2.493 763 HB2 SER 50 2HB SER 50 -9.112 -11.711 0.972 764 HB3 SER 50 1HB SER 50 -7.914 -10.596 0.310 765 HG SER 50 HG SER 50 -6.342 -12.122 0.540 766 H LYS 51 H LYS 51 -7.785 -13.308 2.738 767 HA LYS 51 HA LYS 51 -10.009 -13.534 4.540 768 HB2 LYS 51 2HB LYS 51 -7.965 -15.570 3.622 769 HB3 LYS 51 1HB LYS 51 -9.398 -15.945 4.564 770 HG2 LYS 51 2HG LYS 51 -10.813 -15.638 2.797 771 HG3 LYS 51 1HG LYS 51 -9.735 -14.503 1.989 772 HD2 LYS 51 2HD LYS 51 -9.721 -16.496 0.700 773 HD3 LYS 51 1HD LYS 51 -8.190 -16.437 1.570 774 HE2 LYS 51 2HE LYS 51 -9.077 -17.972 3.245 775 HE3 LYS 51 1HE LYS 51 -10.614 -18.022 2.388 776 HZ1 LYS 51 3HZ LYS 51 -9.439 -18.952 0.475 777 HZ2 LYS 51 1HZ LYS 51 -9.295 -19.939 1.840 778 HZ3 LYS 51 2HZ LYS 51 -7.997 -18.967 1.357 779 H HIS 52 H HIS 52 -6.508 -13.724 4.769 780 HA HIS 52 HA HIS 52 -6.494 -12.956 7.504 781 HB2 HIS 52 2HB HIS 52 -6.982 -15.546 7.444 782 HB3 HIS 52 1HB HIS 52 -5.268 -15.663 7.061 783 HD1 HIS 52 1HD HIS 52 -3.974 -13.751 8.935 784 HD2 HIS 52 2HD HIS 52 -7.199 -16.121 10.071 785 HE1 HIS 52 1HE HIS 52 -3.850 -13.903 11.447 786 HE2 HIS 52 2HE HIS 52 -5.728 -15.458 12.098 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 20.285 19.705 -3.429 2 H2 GLY 1 2HT GLY 1 19.102 19.778 -2.225 3 H3 GLY 1 3HT GLY 1 18.800 20.457 -3.743 4 HA2 GLY 1 1HA GLY 1 17.638 18.378 -3.559 5 HA3 GLY 1 2HA GLY 1 18.913 18.263 -4.763 6 H SER 2 H SER 2 20.985 17.335 -4.020 7 HA SER 2 HA SER 2 20.498 15.241 -2.005 8 HB2 SER 2 2HB SER 2 22.587 15.097 -4.177 9 HB3 SER 2 1HB SER 2 21.868 13.775 -3.256 10 HG SER 2 HG SER 2 20.988 13.859 -5.339 11 HA PRO 3 HA PRO 3 23.747 17.809 -0.119 12 HB2 PRO 3 2HB PRO 3 23.070 17.339 2.435 13 HB3 PRO 3 1HB PRO 3 22.174 18.477 1.431 14 HG2 PRO 3 2HG PRO 3 21.489 15.671 2.179 15 HG3 PRO 3 1HG PRO 3 20.433 17.091 2.063 16 HD2 PRO 3 2HD PRO 3 20.656 15.156 0.117 17 HD3 PRO 3 1HD PRO 3 20.133 16.824 -0.184 18 HA PRO 4 HA PRO 4 26.614 14.528 0.736 19 HB2 PRO 4 2HB PRO 4 28.524 15.899 2.068 20 HB3 PRO 4 1HB PRO 4 28.269 16.084 0.329 21 HG2 PRO 4 2HG PRO 4 27.330 17.829 2.576 22 HG3 PRO 4 1HG PRO 4 28.046 18.297 1.019 23 HD2 PRO 4 2HD PRO 4 25.372 18.369 1.486 24 HD3 PRO 4 1HD PRO 4 26.056 18.023 -0.115 25 H GLU 5 H GLU 5 24.826 16.176 3.020 26 HA GLU 5 HA GLU 5 25.876 14.872 5.377 27 HB2 GLU 5 2HB GLU 5 23.330 16.480 5.061 28 HB3 GLU 5 1HB GLU 5 24.131 16.063 6.568 29 HG2 GLU 5 2HG GLU 5 26.132 17.381 5.594 30 HG3 GLU 5 1HG GLU 5 24.927 18.067 4.501 31 H ALA 6 H ALA 6 24.100 13.874 2.839 32 HA ALA 6 HA ALA 6 22.398 12.072 4.422 33 HB1 ALA 6 1HB ALA 6 22.191 12.872 1.517 34 HB2 ALA 6 2HB ALA 6 21.155 13.432 2.829 35 HB3 ALA 6 3HB ALA 6 21.122 11.738 2.339 36 H ASP 7 H ASP 7 22.697 9.897 4.257 37 HA ASP 7 HA ASP 7 25.190 8.970 3.237 38 HB2 ASP 7 2HB ASP 7 23.910 8.097 5.279 39 HB3 ASP 7 1HB ASP 7 22.902 7.226 4.130 40 HA PRO 8 HA PRO 8 23.902 8.156 -0.942 41 HB2 PRO 8 2HB PRO 8 25.966 6.448 -1.559 42 HB3 PRO 8 1HB PRO 8 26.089 8.213 -1.586 43 HG2 PRO 8 2HG PRO 8 26.929 6.279 0.541 44 HG3 PRO 8 1HG PRO 8 27.773 7.719 -0.062 45 HD2 PRO 8 2HD PRO 8 26.421 7.756 2.251 46 HD3 PRO 8 1HD PRO 8 26.450 9.168 1.169 47 H ARG 9 H ARG 9 24.515 5.660 1.440 48 HA ARG 9 HA ARG 9 23.336 3.583 -0.220 49 HB2 ARG 9 2HB ARG 9 24.165 3.453 2.681 50 HB3 ARG 9 1HB ARG 9 23.811 2.091 1.628 51 HG2 ARG 9 2HG ARG 9 25.793 2.317 0.449 52 HG3 ARG 9 1HG ARG 9 26.003 3.999 0.935 53 HD2 ARG 9 2HD ARG 9 26.244 1.587 2.726 54 HD3 ARG 9 1HD ARG 9 27.580 2.552 2.099 55 HE ARG 9 HE ARG 9 25.984 4.353 3.406 56 HH11 ARG 9 1HH1 ARG 9 27.576 1.356 4.313 57 HH12 ARG 9 2HH1 ARG 9 27.818 1.849 5.958 58 HH21 ARG 9 1HH2 ARG 9 26.334 4.995 5.556 59 HH22 ARG 9 2HH2 ARG 9 27.108 3.896 6.665 60 H LEU 10 H LEU 10 22.453 5.749 2.333 61 HA LEU 10 HA LEU 10 20.087 4.413 3.163 62 HB2 LEU 10 2HB LEU 10 21.218 6.126 4.530 63 HB3 LEU 10 1HB LEU 10 20.807 7.344 3.341 64 HG LEU 10 HG LEU 10 18.386 6.891 3.811 65 HD11 LEU 10 1HD1 LEU 10 17.872 5.738 5.942 66 HD12 LEU 10 2HD1 LEU 10 19.558 5.230 6.037 67 HD13 LEU 10 3HD1 LEU 10 18.541 4.666 4.713 68 HD21 LEU 10 3HD2 LEU 10 20.204 7.864 6.006 69 HD22 LEU 10 1HD2 LEU 10 18.448 8.008 6.074 70 HD23 LEU 10 2HD2 LEU 10 19.350 8.821 4.796 71 H ILE 11 H ILE 11 20.853 6.793 0.697 72 HA ILE 11 HA ILE 11 18.112 7.212 -0.054 73 HB ILE 11 HB ILE 11 20.007 8.885 -0.354 74 HG12 ILE 11 2HG1 ILE 11 18.347 8.308 -2.814 75 HG13 ILE 11 1HG1 ILE 11 17.730 9.096 -1.363 76 HG21 ILE 11 1HG2 ILE 11 21.267 8.757 -2.451 77 HG22 ILE 11 2HG2 ILE 11 20.583 7.160 -2.754 78 HG23 ILE 11 3HG2 ILE 11 21.641 7.416 -1.369 79 HD11 ILE 11 3HD1 ILE 11 19.360 10.909 -1.691 80 HD12 ILE 11 1HD1 ILE 11 18.247 10.741 -3.049 81 HD13 ILE 11 2HD1 ILE 11 19.897 10.133 -3.180 82 H GLU 12 H GLU 12 20.406 4.799 -0.648 83 HA GLU 12 HA GLU 12 19.660 4.035 -3.279 84 HB2 GLU 12 2HB GLU 12 21.161 2.737 -1.047 85 HB3 GLU 12 1HB GLU 12 20.629 1.754 -2.406 86 HG2 GLU 12 2HG GLU 12 22.253 4.259 -2.709 87 HG3 GLU 12 1HG GLU 12 22.953 2.647 -2.580 88 H SER 13 H SER 13 18.176 3.657 -0.228 89 HA SER 13 HA SER 13 16.759 1.275 -0.557 90 HB2 SER 13 2HB SER 13 15.637 3.683 0.863 91 HB3 SER 13 1HB SER 13 15.447 1.977 1.268 92 HG SER 13 HG SER 13 17.419 3.729 1.978 93 H LEU 14 H LEU 14 16.261 4.455 -1.882 94 HA LEU 14 HA LEU 14 13.575 3.905 -2.779 95 HB2 LEU 14 2HB LEU 14 15.474 6.176 -3.379 96 HB3 LEU 14 1HB LEU 14 13.836 6.081 -3.995 97 HG LEU 14 HG LEU 14 13.404 5.795 -1.321 98 HD11 LEU 14 1HD1 LEU 14 14.738 7.408 -0.133 99 HD12 LEU 14 2HD1 LEU 14 15.637 7.797 -1.599 100 HD13 LEU 14 3HD1 LEU 14 15.801 6.203 -0.864 101 HD21 LEU 14 3HD2 LEU 14 13.570 8.386 -2.852 102 HD22 LEU 14 1HD2 LEU 14 12.638 8.101 -1.383 103 HD23 LEU 14 2HD2 LEU 14 12.209 7.265 -2.875 104 H SER 15 H SER 15 16.805 4.139 -4.228 105 HA SER 15 HA SER 15 15.996 3.654 -6.887 106 HB2 SER 15 2HB SER 15 18.664 2.665 -6.290 107 HB3 SER 15 1HB SER 15 18.176 4.027 -7.299 108 HG SER 15 HG SER 15 19.446 4.251 -5.116 109 H GLN 16 H GLN 16 16.903 1.535 -4.221 110 HA GLN 16 HA GLN 16 17.105 -0.876 -5.632 111 HB2 GLN 16 2HB GLN 16 17.789 -0.511 -3.253 112 HB3 GLN 16 1HB GLN 16 16.088 -0.510 -2.806 113 HG2 GLN 16 2HG GLN 16 16.998 -2.665 -2.337 114 HG3 GLN 16 1HG GLN 16 15.905 -2.812 -3.714 115 HE21 GLN 16 1HE2 GLN 16 16.745 -3.269 -5.744 116 HE22 GLN 16 2HE2 GLN 16 18.371 -3.817 -5.967 117 H MET 17 H MET 17 14.340 0.752 -4.173 118 HA MET 17 HA MET 17 12.423 -1.261 -4.671 119 HB2 MET 17 2HB MET 17 12.367 1.626 -3.965 120 HB3 MET 17 1HB MET 17 10.908 0.959 -4.679 121 HG2 MET 17 2HG MET 17 12.287 -0.155 -2.248 122 HG3 MET 17 1HG MET 17 10.910 0.949 -2.208 123 HE1 MET 17 3HE MET 17 10.790 -1.754 -0.652 124 HE2 MET 17 1HE MET 17 9.189 -2.344 -1.107 125 HE3 MET 17 2HE MET 17 9.435 -0.631 -0.768 126 H LEU 18 H LEU 18 13.404 1.619 -6.467 127 HA LEU 18 HA LEU 18 11.585 1.402 -8.582 128 HB2 LEU 18 2HB LEU 18 13.434 3.214 -7.858 129 HB3 LEU 18 1HB LEU 18 14.297 2.436 -9.169 130 HG LEU 18 HG LEU 18 12.384 2.935 -10.679 131 HD11 LEU 18 1HD1 LEU 18 11.362 4.432 -8.273 132 HD12 LEU 18 2HD1 LEU 18 10.586 3.084 -9.102 133 HD13 LEU 18 3HD1 LEU 18 10.753 4.639 -9.914 134 HD21 LEU 18 3HD2 LEU 18 14.358 4.395 -10.546 135 HD22 LEU 18 1HD2 LEU 18 13.551 5.347 -9.300 136 HD23 LEU 18 2HD2 LEU 18 12.886 5.289 -10.932 137 H SER 19 H SER 19 14.850 0.069 -8.189 138 HA SER 19 HA SER 19 14.890 -1.137 -10.782 139 HB2 SER 19 2HB SER 19 16.643 -1.278 -8.354 140 HB3 SER 19 1HB SER 19 16.861 -2.446 -9.655 141 HG SER 19 HG SER 19 17.174 0.357 -9.717 142 H MET 20 H MET 20 13.578 -2.038 -7.736 143 HA MET 20 HA MET 20 13.564 -4.873 -8.226 144 HB2 MET 20 2HB MET 20 13.478 -3.625 -5.954 145 HB3 MET 20 1HB MET 20 11.759 -3.464 -6.287 146 HG2 MET 20 2HG MET 20 11.549 -5.891 -6.421 147 HG3 MET 20 1HG MET 20 13.275 -6.065 -6.119 148 HE1 MET 20 3HE MET 20 13.408 -3.538 -3.737 149 HE2 MET 20 1HE MET 20 14.408 -4.970 -3.999 150 HE3 MET 20 2HE MET 20 13.592 -4.734 -2.456 151 H GLY 21 H GLY 21 11.828 -2.272 -9.389 152 HA2 GLY 21 2HA GLY 21 10.205 -2.416 -11.077 153 HA3 GLY 21 1HA GLY 21 9.842 -4.059 -10.558 154 H PHE 22 H PHE 22 10.091 -1.902 -7.972 155 HA PHE 22 HA PHE 22 7.172 -1.852 -7.753 156 HB2 PHE 22 2HB PHE 22 9.361 -1.797 -5.690 157 HB3 PHE 22 1HB PHE 22 7.745 -1.221 -5.304 158 HD1 PHE 22 2HD PHE 22 5.814 -2.774 -5.444 159 HD2 PHE 22 1HD PHE 22 9.839 -4.104 -5.814 160 HE1 PHE 22 2HE PHE 22 5.091 -5.080 -4.976 161 HE2 PHE 22 1HE PHE 22 9.126 -6.409 -5.343 162 HZ PHE 22 HZ PHE 22 6.750 -6.899 -4.924 163 H SER 23 H SER 23 6.174 -0.069 -8.115 164 HA SER 23 HA SER 23 7.161 2.487 -7.222 165 HB2 SER 23 2HB SER 23 6.524 2.183 -10.162 166 HB3 SER 23 1HB SER 23 7.247 3.566 -9.345 167 HG SER 23 HG SER 23 8.862 1.585 -8.852 168 H ASP 24 H ASP 24 5.437 3.891 -6.872 169 HA ASP 24 HA ASP 24 2.807 2.763 -7.519 170 HB2 ASP 24 2HB ASP 24 2.019 3.365 -5.475 171 HB3 ASP 24 1HB ASP 24 3.720 3.258 -5.051 172 H GLU 25 H GLU 25 1.043 4.481 -7.777 173 HA GLU 25 HA GLU 25 2.148 6.641 -9.458 174 HB2 GLU 25 2HB GLU 25 -0.523 6.126 -10.221 175 HB3 GLU 25 1HB GLU 25 0.945 5.837 -11.139 176 HG2 GLU 25 2HG GLU 25 -0.171 3.789 -11.113 177 HG3 GLU 25 1HG GLU 25 1.104 3.622 -9.913 178 H GLY 26 H GLY 26 0.774 6.339 -6.535 179 HA2 GLY 26 2HA GLY 26 -0.847 8.786 -6.931 180 HA3 GLY 26 1HA GLY 26 -1.243 7.555 -5.740 181 H GLY 27 H GLY 27 1.951 7.585 -5.622 182 HA2 GLY 27 2HA GLY 27 3.570 8.774 -4.447 183 HA3 GLY 27 1HA GLY 27 2.372 10.012 -4.078 184 H TRP 28 H TRP 28 1.766 6.614 -3.583 185 HA TRP 28 HA TRP 28 1.533 7.182 -0.724 186 HB2 TRP 28 2HB TRP 28 0.110 5.249 -0.546 187 HB3 TRP 28 1HB TRP 28 -0.455 6.275 -1.848 188 HD1 TRP 28 HD TRP 28 -0.527 5.250 -4.264 189 HE1 TRP 28 1HE TRP 28 -0.209 2.869 -5.181 190 HE3 TRP 28 3HE TRP 28 1.505 3.053 -0.124 191 HZ2 TRP 28 2HZ TRP 28 0.753 0.377 -4.260 192 HZ3 TRP 28 3HZ TRP 28 2.092 0.666 -0.220 193 HH2 TRP 28 HH TRP 28 1.724 -0.645 -2.246 194 H LEU 29 H LEU 29 3.394 5.203 -2.936 195 HA LEU 29 HA LEU 29 4.396 3.449 -0.901 196 HB2 LEU 29 2HB LEU 29 4.362 2.811 -3.280 197 HB3 LEU 29 1HB LEU 29 5.530 4.072 -3.633 198 HG LEU 29 HG LEU 29 7.147 2.895 -2.119 199 HD11 LEU 29 1HD1 LEU 29 5.591 1.638 -0.764 200 HD12 LEU 29 2HD1 LEU 29 6.688 0.535 -1.593 201 HD13 LEU 29 3HD1 LEU 29 5.038 0.742 -2.179 202 HD21 LEU 29 3HD2 LEU 29 6.095 1.356 -4.490 203 HD22 LEU 29 1HD2 LEU 29 7.665 1.107 -3.729 204 HD23 LEU 29 2HD2 LEU 29 7.301 2.641 -4.522 205 H THR 30 H THR 30 5.442 6.456 -2.388 206 HA THR 30 HA THR 30 7.993 6.562 -1.169 207 HB THR 30 HB THR 30 7.259 7.951 -3.139 208 HG1 THR 30 1HG THR 30 9.101 8.757 -2.414 209 HG21 THR 30 3HG2 THR 30 5.897 9.599 -1.008 210 HG22 THR 30 1HG2 THR 30 5.105 8.722 -2.315 211 HG23 THR 30 2HG2 THR 30 6.147 10.098 -2.682 212 H ARG 31 H ARG 31 4.826 7.056 0.005 213 HA ARG 31 HA ARG 31 5.688 8.591 2.322 214 HB2 ARG 31 2HB ARG 31 2.980 7.620 1.403 215 HB3 ARG 31 1HB ARG 31 3.242 8.470 2.921 216 HG2 ARG 31 2HG ARG 31 4.424 9.881 0.691 217 HG3 ARG 31 1HG ARG 31 2.697 9.611 0.455 218 HD2 ARG 31 2HD ARG 31 3.811 10.712 3.022 219 HD3 ARG 31 1HD ARG 31 3.400 11.751 1.658 220 HE ARG 31 HE ARG 31 1.527 10.174 3.278 221 HH11 ARG 31 1HH1 ARG 31 2.103 12.526 0.748 222 HH12 ARG 31 2HH1 ARG 31 0.456 13.064 0.700 223 HH21 ARG 31 1HH2 ARG 31 -0.636 10.862 3.206 224 HH22 ARG 31 2HH2 ARG 31 -1.112 12.118 2.109 225 H LEU 32 H LEU 32 4.734 5.363 1.395 226 HA LEU 32 HA LEU 32 4.364 4.295 3.979 227 HB2 LEU 32 2HB LEU 32 3.659 3.246 1.801 228 HB3 LEU 32 1HB LEU 32 5.337 2.814 1.534 229 HG LEU 32 HG LEU 32 5.292 1.441 3.595 230 HD11 LEU 32 1HD1 LEU 32 3.613 2.532 4.883 231 HD12 LEU 32 2HD1 LEU 32 3.038 0.901 4.538 232 HD13 LEU 32 3HD1 LEU 32 2.400 2.272 3.632 233 HD21 LEU 32 3HD2 LEU 32 3.917 -0.364 2.700 234 HD22 LEU 32 1HD2 LEU 32 4.852 0.415 1.422 235 HD23 LEU 32 2HD2 LEU 32 3.132 0.769 1.598 236 H LEU 33 H LEU 33 7.168 4.926 2.030 237 HA LEU 33 HA LEU 33 9.026 3.376 3.525 238 HB2 LEU 33 2HB LEU 33 9.333 5.702 1.638 239 HB3 LEU 33 1HB LEU 33 10.706 4.923 2.402 240 HG LEU 33 HG LEU 33 8.729 3.458 0.648 241 HD11 LEU 33 1HD1 LEU 33 10.443 3.586 -1.104 242 HD12 LEU 33 2HD1 LEU 33 11.403 4.652 -0.077 243 HD13 LEU 33 3HD1 LEU 33 9.825 5.179 -0.666 244 HD21 LEU 33 3HD2 LEU 33 9.978 2.055 2.216 245 HD22 LEU 33 1HD2 LEU 33 11.495 2.734 1.626 246 HD23 LEU 33 2HD2 LEU 33 10.487 1.759 0.555 247 H GLN 34 H GLN 34 7.338 6.193 4.222 248 HA GLN 34 HA GLN 34 9.383 7.236 6.035 249 HB2 GLN 34 2HB GLN 34 6.609 8.350 5.605 250 HB3 GLN 34 1HB GLN 34 8.012 9.170 6.271 251 HG2 GLN 34 2HG GLN 34 7.631 8.304 3.414 252 HG3 GLN 34 1HG GLN 34 7.572 9.951 4.035 253 HE21 GLN 34 1HE2 GLN 34 9.301 8.633 2.014 254 HE22 GLN 34 2HE2 GLN 34 10.927 8.949 2.533 255 H THR 35 H THR 35 6.273 5.642 5.990 256 HA THR 35 HA THR 35 5.864 5.827 8.827 257 HB THR 35 HB THR 35 4.423 3.761 7.246 258 HG1 THR 35 1HG THR 35 4.245 6.562 6.758 259 HG21 THR 35 3HG2 THR 35 2.513 4.616 8.494 260 HG22 THR 35 1HG2 THR 35 3.495 5.936 9.133 261 HG23 THR 35 2HG2 THR 35 3.850 4.271 9.590 262 H LYS 36 H LYS 36 6.726 3.226 6.561 263 HA LYS 36 HA LYS 36 7.303 1.413 8.772 264 HB2 LYS 36 2HB LYS 36 6.661 1.158 5.938 265 HB3 LYS 36 1HB LYS 36 8.007 0.131 6.412 266 HG2 LYS 36 2HG LYS 36 6.086 -1.193 6.669 267 HG3 LYS 36 1HG LYS 36 6.531 -0.692 8.301 268 HD2 LYS 36 2HD LYS 36 4.851 1.087 8.208 269 HD3 LYS 36 1HD LYS 36 4.405 0.576 6.576 270 HE2 LYS 36 2HE LYS 36 2.820 -0.338 8.150 271 HE3 LYS 36 1HE LYS 36 3.796 -1.645 7.488 272 HZ1 LYS 36 3HZ LYS 36 5.138 -1.627 9.492 273 HZ2 LYS 36 1HZ LYS 36 3.507 -1.863 9.882 274 HZ3 LYS 36 2HZ LYS 36 4.227 -0.351 10.127 275 H ASN 37 H ASN 37 8.948 3.839 7.477 276 HA ASN 37 HA ASN 37 11.141 4.459 7.480 277 HB2 ASN 37 2HB ASN 37 11.125 2.763 9.525 278 HB3 ASN 37 1HB ASN 37 12.055 1.764 8.415 279 HD21 ASN 37 1HD2 ASN 37 12.939 2.854 10.894 280 HD22 ASN 37 2HD2 ASN 37 14.271 3.903 10.549 281 H TYR 38 H TYR 38 13.348 3.672 6.497 282 HA TYR 38 HA TYR 38 12.701 2.690 3.859 283 HB2 TYR 38 2HB TYR 38 15.224 3.780 5.100 284 HB3 TYR 38 1HB TYR 38 15.182 3.142 3.458 285 HD1 TYR 38 1HD TYR 38 13.601 4.222 1.793 286 HD2 TYR 38 2HD TYR 38 14.538 5.998 5.543 287 HE1 TYR 38 1HE TYR 38 12.824 6.396 0.950 288 HE2 TYR 38 2HE TYR 38 13.761 8.180 4.714 289 HH TYR 38 HH TYR 38 13.364 9.344 2.674 290 H ASP 39 H ASP 39 12.207 0.713 5.599 291 HA ASP 39 HA ASP 39 14.502 -1.113 5.543 292 HB2 ASP 39 2HB ASP 39 13.023 -0.718 7.641 293 HB3 ASP 39 1HB ASP 39 11.836 -1.717 6.811 294 H ILE 40 H ILE 40 14.630 -1.996 3.583 295 HA ILE 40 HA ILE 40 12.537 -2.438 1.787 296 HB ILE 40 HB ILE 40 15.135 -3.976 1.913 297 HG12 ILE 40 2HG1 ILE 40 14.642 -1.475 0.302 298 HG13 ILE 40 1HG1 ILE 40 15.264 -1.404 1.948 299 HG21 ILE 40 1HG2 ILE 40 13.573 -4.972 0.375 300 HG22 ILE 40 2HG2 ILE 40 14.833 -4.138 -0.540 301 HG23 ILE 40 3HG2 ILE 40 13.239 -3.401 -0.360 302 HD11 ILE 40 3HD1 ILE 40 16.576 -2.921 -0.293 303 HD12 ILE 40 1HD1 ILE 40 17.224 -2.632 1.320 304 HD13 ILE 40 2HD1 ILE 40 17.013 -1.286 0.200 305 H GLY 41 H GLY 41 13.985 -4.586 4.196 306 HA2 GLY 41 2HA GLY 41 12.657 -6.952 3.419 307 HA3 GLY 41 1HA GLY 41 13.335 -6.632 5.009 308 H ALA 42 H ALA 42 11.838 -4.613 5.985 309 HA ALA 42 HA ALA 42 9.472 -5.914 6.795 310 HB1 ALA 42 1HB ALA 42 10.619 -4.238 8.169 311 HB2 ALA 42 2HB ALA 42 8.915 -3.842 7.941 312 HB3 ALA 42 3HB ALA 42 10.149 -2.981 7.023 313 H ALA 43 H ALA 43 10.047 -3.354 4.416 314 HA ALA 43 HA ALA 43 7.402 -2.689 3.836 315 HB1 ALA 43 1HB ALA 43 9.729 -2.709 1.923 316 HB2 ALA 43 2HB ALA 43 9.359 -1.418 3.065 317 HB3 ALA 43 3HB ALA 43 8.238 -1.783 1.753 318 H LEU 44 H LEU 44 9.481 -5.134 2.282 319 HA LEU 44 HA LEU 44 7.595 -5.986 0.378 320 HB2 LEU 44 2HB LEU 44 10.184 -6.884 1.381 321 HB3 LEU 44 1HB LEU 44 9.149 -8.208 0.882 322 HG LEU 44 HG LEU 44 8.897 -7.150 -1.340 323 HD11 LEU 44 1HD1 LEU 44 10.392 -5.311 -1.968 324 HD12 LEU 44 2HD1 LEU 44 10.923 -5.176 -0.291 325 HD13 LEU 44 3HD1 LEU 44 9.248 -4.825 -0.719 326 HD21 LEU 44 3HD2 LEU 44 10.614 -8.844 -0.952 327 HD22 LEU 44 1HD2 LEU 44 11.756 -7.577 -0.500 328 HD23 LEU 44 2HD2 LEU 44 11.129 -7.651 -2.146 329 H ASP 45 H ASP 45 8.197 -6.988 3.686 330 HA ASP 45 HA ASP 45 6.433 -9.252 3.585 331 HB2 ASP 45 2HB ASP 45 8.434 -8.971 5.121 332 HB3 ASP 45 1HB ASP 45 7.451 -7.854 6.057 333 H THR 46 H THR 46 5.862 -5.964 3.712 334 HA THR 46 HA THR 46 3.567 -6.043 5.463 335 HB THR 46 HB THR 46 4.461 -3.833 3.600 336 HG1 THR 46 1HG THR 46 6.022 -4.442 5.234 337 HG21 THR 46 3HG2 THR 46 3.131 -2.364 5.015 338 HG22 THR 46 1HG2 THR 46 2.664 -3.729 6.033 339 HG23 THR 46 2HG2 THR 46 2.107 -3.644 4.362 340 H ILE 47 H ILE 47 4.135 -6.476 2.051 341 HA ILE 47 HA ILE 47 1.220 -6.401 1.619 342 HB ILE 47 HB ILE 47 1.733 -6.061 -0.799 343 HG12 ILE 47 2HG1 ILE 47 4.523 -5.353 0.123 344 HG13 ILE 47 1HG1 ILE 47 4.124 -6.928 -0.556 345 HG21 ILE 47 1HG2 ILE 47 1.048 -4.196 0.554 346 HG22 ILE 47 2HG2 ILE 47 2.328 -3.662 -0.536 347 HG23 ILE 47 3HG2 ILE 47 2.689 -3.979 1.159 348 HD11 ILE 47 3HD1 ILE 47 3.803 -4.274 -1.938 349 HD12 ILE 47 1HD1 ILE 47 3.410 -5.850 -2.623 350 HD13 ILE 47 2HD1 ILE 47 5.083 -5.453 -2.229 351 H GLN 48 H GLN 48 3.167 -8.608 2.462 352 HA GLN 48 HA GLN 48 3.227 -10.871 2.291 353 HB2 GLN 48 2HB GLN 48 0.722 -10.314 1.387 354 HB3 GLN 48 1HB GLN 48 1.404 -11.127 -0.011 355 HG2 GLN 48 2HG GLN 48 1.581 -12.307 2.737 356 HG3 GLN 48 1HG GLN 48 0.175 -12.549 1.700 357 HE21 GLN 48 1HE2 GLN 48 2.273 -14.383 2.756 358 HE22 GLN 48 2HE2 GLN 48 2.886 -15.201 1.363 359 H TYR 49 H TYR 49 3.016 -9.401 -0.936 360 HA TYR 49 HA TYR 49 4.519 -11.355 -2.285 361 HB2 TYR 49 2HB TYR 49 4.043 -8.435 -2.894 362 HB3 TYR 49 1HB TYR 49 4.856 -9.537 -3.998 363 HD1 TYR 49 2HD TYR 49 3.555 -11.595 -4.780 364 HD2 TYR 49 1HD TYR 49 1.708 -8.249 -2.903 365 HE1 TYR 49 2HE TYR 49 1.384 -12.275 -5.711 366 HE2 TYR 49 1HE TYR 49 -0.471 -8.923 -3.832 367 HH TYR 49 HH TYR 49 -1.331 -10.249 -5.731 368 H SER 50 H SER 50 6.446 -11.927 -1.441 369 HA SER 50 HA SER 50 8.423 -9.789 -1.011 370 HB2 SER 50 2HB SER 50 8.658 -12.587 0.075 371 HB3 SER 50 1HB SER 50 9.466 -11.121 0.630 372 HG SER 50 HG SER 50 6.710 -11.014 0.706 373 H LYS 51 H LYS 51 7.908 -12.996 -2.404 374 HA LYS 51 HA LYS 51 10.445 -12.748 -3.851 375 HB2 LYS 51 2HB LYS 51 10.165 -14.840 -2.628 376 HB3 LYS 51 1HB LYS 51 8.645 -15.147 -3.457 377 HG2 LYS 51 2HG LYS 51 9.701 -15.627 -5.480 378 HG3 LYS 51 1HG LYS 51 11.196 -14.827 -4.996 379 HD2 LYS 51 2HD LYS 51 11.504 -17.230 -4.974 380 HD3 LYS 51 1HD LYS 51 11.581 -16.600 -3.328 381 HE2 LYS 51 2HE LYS 51 9.498 -17.484 -2.766 382 HE3 LYS 51 1HE LYS 51 9.010 -17.649 -4.453 383 HZ1 LYS 51 3HZ LYS 51 11.167 -19.239 -3.183 384 HZ2 LYS 51 1HZ LYS 51 10.518 -19.460 -4.729 385 HZ3 LYS 51 2HZ LYS 51 9.573 -19.773 -3.363 386 H HIS 52 H HIS 52 7.270 -14.183 -4.652 387 HA HIS 52 HA HIS 52 6.739 -12.399 -6.793 388 HB2 HIS 52 2HB HIS 52 8.643 -13.939 -7.675 389 HB3 HIS 52 1HB HIS 52 7.398 -15.179 -7.737 390 HD1 HIS 52 1HD HIS 52 5.227 -14.479 -9.265 391 HD2 HIS 52 2HD HIS 52 8.749 -12.361 -9.876 392 HE1 HIS 52 1HE HIS 52 4.972 -13.374 -11.504 393 HE2 HIS 52 2HE HIS 52 7.027 -11.943 -11.750 394 H1 GLY 1 1HT GLY 1 -18.867 19.963 1.794 395 H2 GLY 1 2HT GLY 1 -17.268 19.420 1.680 396 H3 GLY 1 3HT GLY 1 -17.712 20.501 2.902 397 HA2 GLY 1 1HA GLY 1 -17.443 18.178 3.672 398 HA3 GLY 1 2HA GLY 1 -19.010 18.897 4.018 399 H SER 2 H SER 2 -20.331 17.167 3.978 400 HA SER 2 HA SER 2 -20.143 15.258 1.783 401 HB2 SER 2 2HB SER 2 -22.081 15.184 4.095 402 HB3 SER 2 1HB SER 2 -21.544 13.842 3.085 403 HG SER 2 HG SER 2 -20.439 13.758 5.027 404 HA PRO 3 HA PRO 3 -23.582 17.562 -0.023 405 HB2 PRO 3 2HB PRO 3 -23.001 17.094 -2.577 406 HB3 PRO 3 1HB PRO 3 -22.008 18.192 -1.609 407 HG2 PRO 3 2HG PRO 3 -21.463 15.385 -2.454 408 HG3 PRO 3 1HG PRO 3 -20.340 16.745 -2.280 409 HD2 PRO 3 2HD PRO 3 -20.783 14.694 -0.405 410 HD3 PRO 3 1HD PRO 3 -19.920 16.213 -0.114 411 HA PRO 4 HA PRO 4 -26.353 14.076 -0.548 412 HB2 PRO 4 2HB PRO 4 -28.220 15.958 -1.809 413 HB3 PRO 4 1HB PRO 4 -28.389 15.057 -0.301 414 HG2 PRO 4 2HG PRO 4 -28.025 17.712 -0.309 415 HG3 PRO 4 1HG PRO 4 -27.333 16.677 0.950 416 HD2 PRO 4 2HD PRO 4 -25.997 17.867 -1.462 417 HD3 PRO 4 1HD PRO 4 -25.417 17.759 0.217 418 H GLU 5 H GLU 5 -24.925 15.859 -2.988 419 HA GLU 5 HA GLU 5 -26.302 14.765 -5.252 420 HB2 GLU 5 2HB GLU 5 -23.530 15.931 -5.319 421 HB3 GLU 5 1HB GLU 5 -24.751 15.939 -6.579 422 HG2 GLU 5 2HG GLU 5 -24.780 17.534 -4.033 423 HG3 GLU 5 1HG GLU 5 -24.527 18.145 -5.665 424 H ALA 6 H ALA 6 -23.635 13.843 -3.248 425 HA ALA 6 HA ALA 6 -22.643 11.853 -5.114 426 HB1 ALA 6 1HB ALA 6 -21.836 12.385 -2.255 427 HB2 ALA 6 2HB ALA 6 -21.083 13.106 -3.677 428 HB3 ALA 6 3HB ALA 6 -20.982 11.365 -3.415 429 H ASP 7 H ASP 7 -22.853 9.633 -4.875 430 HA ASP 7 HA ASP 7 -25.220 8.724 -3.586 431 HB2 ASP 7 2HB ASP 7 -24.103 7.744 -5.686 432 HB3 ASP 7 1HB ASP 7 -23.024 6.912 -4.569 433 HA PRO 8 HA PRO 8 -23.636 8.120 0.488 434 HB2 PRO 8 2HB PRO 8 -25.501 6.263 1.297 435 HB3 PRO 8 1HB PRO 8 -25.764 8.009 1.291 436 HG2 PRO 8 2HG PRO 8 -26.595 5.959 -0.718 437 HG3 PRO 8 1HG PRO 8 -27.500 7.352 -0.097 438 HD2 PRO 8 2HD PRO 8 -26.315 7.412 -2.500 439 HD3 PRO 8 1HD PRO 8 -26.371 8.852 -1.460 440 H ARG 9 H ARG 9 -24.106 5.523 -1.799 441 HA ARG 9 HA ARG 9 -22.665 3.623 -0.135 442 HB2 ARG 9 2HB ARG 9 -23.888 3.427 -2.879 443 HB3 ARG 9 1HB ARG 9 -22.973 2.118 -2.146 444 HG2 ARG 9 2HG ARG 9 -24.591 1.654 -0.603 445 HG3 ARG 9 1HG ARG 9 -25.210 3.307 -0.603 446 HD2 ARG 9 2HD ARG 9 -25.537 1.324 -2.845 447 HD3 ARG 9 1HD ARG 9 -26.770 1.724 -1.654 448 HE ARG 9 HE ARG 9 -25.713 3.967 -3.174 449 HH11 ARG 9 1HH1 ARG 9 -28.224 1.545 -2.860 450 HH12 ARG 9 2HH1 ARG 9 -29.345 2.390 -3.880 451 HH21 ARG 9 1HH2 ARG 9 -27.176 5.093 -4.499 452 HH22 ARG 9 2HH2 ARG 9 -28.759 4.427 -4.797 453 H LEU 10 H LEU 10 -21.952 5.989 -2.460 454 HA LEU 10 HA LEU 10 -19.604 4.759 -3.551 455 HB2 LEU 10 2HB LEU 10 -20.863 6.509 -4.751 456 HB3 LEU 10 1HB LEU 10 -20.441 7.664 -3.502 457 HG LEU 10 HG LEU 10 -17.997 7.173 -4.127 458 HD11 LEU 10 1HD1 LEU 10 -17.641 6.415 -6.421 459 HD12 LEU 10 2HD1 LEU 10 -19.371 6.100 -6.588 460 HD13 LEU 10 3HD1 LEU 10 -18.409 5.165 -5.441 461 HD21 LEU 10 3HD2 LEU 10 -19.834 8.587 -6.056 462 HD22 LEU 10 1HD2 LEU 10 -18.084 8.787 -5.983 463 HD23 LEU 10 2HD2 LEU 10 -19.086 9.279 -4.618 464 H ILE 11 H ILE 11 -20.360 6.811 -0.846 465 HA ILE 11 HA ILE 11 -17.558 7.233 -0.200 466 HB ILE 11 HB ILE 11 -19.356 9.009 0.089 467 HG12 ILE 11 2HG1 ILE 11 -17.813 8.397 2.610 468 HG13 ILE 11 1HG1 ILE 11 -17.059 9.028 1.149 469 HG21 ILE 11 1HG2 ILE 11 -20.643 8.955 2.172 470 HG22 ILE 11 2HG2 ILE 11 -20.049 7.328 2.492 471 HG23 ILE 11 3HG2 ILE 11 -21.079 7.635 1.092 472 HD11 ILE 11 3HD1 ILE 11 -18.492 11.008 1.285 473 HD12 ILE 11 1HD1 ILE 11 -17.487 10.808 2.719 474 HD13 ILE 11 2HD1 ILE 11 -19.197 10.381 2.775 475 H GLU 12 H GLU 12 -19.861 4.886 0.279 476 HA GLU 12 HA GLU 12 -19.371 4.106 2.954 477 HB2 GLU 12 2HB GLU 12 -20.724 2.923 0.598 478 HB3 GLU 12 1HB GLU 12 -20.197 1.803 1.850 479 HG2 GLU 12 2HG GLU 12 -21.823 4.241 2.483 480 HG3 GLU 12 1HG GLU 12 -22.569 2.719 1.999 481 H SER 13 H SER 13 -17.644 3.614 0.007 482 HA SER 13 HA SER 13 -16.249 1.273 0.612 483 HB2 SER 13 2HB SER 13 -14.992 3.550 -0.889 484 HB3 SER 13 1HB SER 13 -14.881 1.816 -1.203 485 HG SER 13 HG SER 13 -16.499 2.062 -2.508 486 H LEU 14 H LEU 14 -15.811 4.587 1.636 487 HA LEU 14 HA LEU 14 -13.191 4.243 2.721 488 HB2 LEU 14 2HB LEU 14 -15.315 6.350 2.951 489 HB3 LEU 14 1HB LEU 14 -13.937 6.380 4.032 490 HG LEU 14 HG LEU 14 -12.463 6.394 1.966 491 HD11 LEU 14 1HD1 LEU 14 -13.487 7.205 -0.099 492 HD12 LEU 14 2HD1 LEU 14 -15.085 7.046 0.629 493 HD13 LEU 14 3HD1 LEU 14 -14.098 5.613 0.346 494 HD21 LEU 14 3HD2 LEU 14 -14.327 8.710 2.445 495 HD22 LEU 14 1HD2 LEU 14 -12.779 8.799 1.606 496 HD23 LEU 14 2HD2 LEU 14 -12.832 8.373 3.316 497 H SER 15 H SER 15 -16.467 4.319 4.094 498 HA SER 15 HA SER 15 -15.668 3.859 6.768 499 HB2 SER 15 2HB SER 15 -18.285 2.821 6.369 500 HB3 SER 15 1HB SER 15 -17.830 4.375 7.067 501 HG SER 15 HG SER 15 -19.086 3.938 4.788 502 H GLN 16 H GLN 16 -16.549 1.728 4.097 503 HA GLN 16 HA GLN 16 -16.755 -0.666 5.534 504 HB2 GLN 16 2HB GLN 16 -17.409 -0.247 3.121 505 HB3 GLN 16 1HB GLN 16 -15.707 -0.437 2.716 506 HG2 GLN 16 2HG GLN 16 -16.998 -2.488 2.346 507 HG3 GLN 16 1HG GLN 16 -15.721 -2.704 3.542 508 HE21 GLN 16 1HE2 GLN 16 -16.690 -4.452 4.515 509 HE22 GLN 16 2HE2 GLN 16 -18.125 -4.310 5.474 510 H MET 17 H MET 17 -13.934 0.799 3.932 511 HA MET 17 HA MET 17 -12.111 -1.255 4.535 512 HB2 MET 17 2HB MET 17 -11.663 1.699 4.083 513 HB3 MET 17 1HB MET 17 -10.365 0.530 4.244 514 HG2 MET 17 2HG MET 17 -12.468 0.584 2.100 515 HG3 MET 17 1HG MET 17 -10.765 1.005 1.919 516 HE1 MET 17 3HE MET 17 -8.833 -0.719 1.623 517 HE2 MET 17 1HE MET 17 -8.944 -2.390 2.181 518 HE3 MET 17 2HE MET 17 -9.097 -1.062 3.333 519 H LEU 18 H LEU 18 -13.199 1.557 6.317 520 HA LEU 18 HA LEU 18 -11.351 1.426 8.442 521 HB2 LEU 18 2HB LEU 18 -12.844 3.356 7.849 522 HB3 LEU 18 1HB LEU 18 -14.186 2.451 8.521 523 HG LEU 18 HG LEU 18 -12.998 2.440 10.720 524 HD11 LEU 18 1HD1 LEU 18 -11.150 4.331 9.283 525 HD12 LEU 18 2HD1 LEU 18 -10.734 2.767 9.985 526 HD13 LEU 18 3HD1 LEU 18 -11.208 4.104 11.030 527 HD21 LEU 18 3HD2 LEU 18 -14.775 4.021 10.271 528 HD22 LEU 18 1HD2 LEU 18 -13.628 5.124 9.508 529 HD23 LEU 18 2HD2 LEU 18 -13.509 4.785 11.234 530 H SER 19 H SER 19 -14.590 0.066 7.976 531 HA SER 19 HA SER 19 -14.790 -1.171 10.516 532 HB2 SER 19 2HB SER 19 -16.178 -1.999 7.955 533 HB3 SER 19 1HB SER 19 -16.707 -2.334 9.606 534 HG SER 19 HG SER 19 -17.313 -0.277 9.861 535 H MET 20 H MET 20 -13.157 -2.027 7.604 536 HA MET 20 HA MET 20 -12.923 -4.838 8.227 537 HB2 MET 20 2HB MET 20 -11.788 -3.049 6.093 538 HB3 MET 20 1HB MET 20 -11.181 -4.683 6.313 539 HG2 MET 20 2HG MET 20 -14.056 -3.978 5.786 540 HG3 MET 20 1HG MET 20 -12.904 -4.495 4.557 541 HE1 MET 20 3HE MET 20 -11.247 -6.808 5.750 542 HE2 MET 20 1HE MET 20 -12.084 -6.890 4.198 543 HE3 MET 20 2HE MET 20 -12.261 -8.199 5.367 544 H GLY 21 H GLY 21 -11.547 -2.092 9.423 545 HA2 GLY 21 2HA GLY 21 -9.921 -1.926 11.065 546 HA3 GLY 21 1HA GLY 21 -9.498 -3.607 10.776 547 H PHE 22 H PHE 22 -9.669 -1.283 8.183 548 HA PHE 22 HA PHE 22 -6.731 -1.378 8.005 549 HB2 PHE 22 2HB PHE 22 -8.504 -2.318 6.135 550 HB3 PHE 22 1HB PHE 22 -8.201 -0.688 5.549 551 HD1 PHE 22 1HD PHE 22 -6.671 -3.929 6.335 552 HD2 PHE 22 2HD PHE 22 -6.096 -0.078 4.629 553 HE1 PHE 22 1HE PHE 22 -4.550 -4.688 5.349 554 HE2 PHE 22 2HE PHE 22 -3.974 -0.827 3.635 555 HZ PHE 22 HZ PHE 22 -3.196 -3.135 3.993 556 H SER 23 H SER 23 -5.763 0.477 8.288 557 HA SER 23 HA SER 23 -7.060 2.954 7.456 558 HB2 SER 23 2HB SER 23 -6.054 3.868 9.737 559 HB3 SER 23 1HB SER 23 -7.656 3.134 9.680 560 HG SER 23 HG SER 23 -5.243 2.101 10.688 561 H ASP 24 H ASP 24 -5.527 4.740 7.275 562 HA ASP 24 HA ASP 24 -2.784 3.755 6.915 563 HB2 ASP 24 2HB ASP 24 -2.597 5.437 5.062 564 HB3 ASP 24 1HB ASP 24 -3.673 4.090 4.734 565 H GLU 25 H GLU 25 -1.428 4.605 8.262 566 HA GLU 25 HA GLU 25 -2.011 6.951 9.789 567 HB2 GLU 25 2HB GLU 25 0.690 5.640 9.568 568 HB3 GLU 25 1HB GLU 25 0.025 6.533 10.927 569 HG2 GLU 25 2HG GLU 25 -0.279 4.465 11.753 570 HG3 GLU 25 1HG GLU 25 -1.761 4.548 10.805 571 H GLY 26 H GLY 26 0.212 6.187 7.149 572 HA2 GLY 26 2HA GLY 26 1.110 8.958 7.026 573 HA3 GLY 26 1HA GLY 26 1.726 7.620 6.064 574 H GLY 27 H GLY 27 -1.628 7.631 6.093 575 HA2 GLY 27 2HA GLY 27 -3.228 8.207 4.562 576 HA3 GLY 27 1HA GLY 27 -2.220 9.589 4.152 577 H TRP 28 H TRP 28 -1.635 6.087 3.824 578 HA TRP 28 HA TRP 28 -0.923 6.573 1.039 579 HB2 TRP 28 2HB TRP 28 0.187 4.417 1.085 580 HB3 TRP 28 1HB TRP 28 0.709 5.383 2.455 581 HD1 TRP 28 HD TRP 28 -0.186 4.586 4.905 582 HE1 TRP 28 1HE TRP 28 -0.872 2.251 5.749 583 HE3 TRP 28 3HE TRP 28 -0.903 2.277 0.404 584 HZ2 TRP 28 2HZ TRP 28 -1.610 -0.244 4.641 585 HZ3 TRP 28 3HZ TRP 28 -1.590 -0.082 0.383 586 HH2 TRP 28 HH TRP 28 -1.937 -1.314 2.456 587 H LEU 29 H LEU 29 -3.403 5.101 2.935 588 HA LEU 29 HA LEU 29 -4.369 3.376 0.835 589 HB2 LEU 29 2HB LEU 29 -4.641 2.804 3.220 590 HB3 LEU 29 1HB LEU 29 -5.679 4.200 3.426 591 HG LEU 29 HG LEU 29 -7.241 3.159 1.727 592 HD11 LEU 29 1HD1 LEU 29 -5.733 1.622 0.661 593 HD12 LEU 29 2HD1 LEU 29 -7.031 0.713 1.435 594 HD13 LEU 29 3HD1 LEU 29 -5.439 0.791 2.187 595 HD21 LEU 29 3HD2 LEU 29 -6.674 1.873 4.381 596 HD22 LEU 29 1HD2 LEU 29 -8.064 1.427 3.388 597 HD23 LEU 29 2HD2 LEU 29 -7.896 3.080 3.981 598 H THR 30 H THR 30 -5.237 6.502 2.238 599 HA THR 30 HA THR 30 -7.622 6.923 0.841 600 HB THR 30 HB THR 30 -6.958 8.365 2.696 601 HG1 THR 30 1HG THR 30 -7.897 10.107 1.845 602 HG21 THR 30 3HG2 THR 30 -4.903 9.591 0.865 603 HG22 THR 30 1HG2 THR 30 -4.517 8.420 2.125 604 HG23 THR 30 2HG2 THR 30 -5.205 9.986 2.555 605 H ARG 31 H ARG 31 -4.325 7.074 -0.221 606 HA ARG 31 HA ARG 31 -4.988 8.450 -2.698 607 HB2 ARG 31 2HB ARG 31 -2.342 7.141 -2.094 608 HB3 ARG 31 1HB ARG 31 -2.673 8.532 -3.116 609 HG2 ARG 31 2HG ARG 31 -3.488 9.070 -0.419 610 HG3 ARG 31 1HG ARG 31 -1.811 8.534 -0.460 611 HD2 ARG 31 2HD ARG 31 -2.621 10.518 -2.491 612 HD3 ARG 31 1HD ARG 31 -2.549 11.082 -0.825 613 HE ARG 31 HE ARG 31 -0.205 9.668 -1.384 614 HH11 ARG 31 1HH1 ARG 31 -1.792 12.645 -2.337 615 HH12 ARG 31 2HH1 ARG 31 -0.301 13.473 -2.673 616 HH21 ARG 31 1HH2 ARG 31 1.749 10.760 -1.824 617 HH22 ARG 31 2HH2 ARG 31 1.704 12.407 -2.369 618 H LEU 32 H LEU 32 -4.376 5.252 -1.483 619 HA LEU 32 HA LEU 32 -3.957 3.888 -3.907 620 HB2 LEU 32 2HB LEU 32 -3.503 3.015 -1.601 621 HB3 LEU 32 1HB LEU 32 -5.229 2.820 -1.387 622 HG LEU 32 HG LEU 32 -4.158 1.480 -3.766 623 HD11 LEU 32 1HD1 LEU 32 -2.268 1.120 -2.299 624 HD12 LEU 32 2HD1 LEU 32 -3.187 -0.377 -2.467 625 HD13 LEU 32 3HD1 LEU 32 -3.341 0.595 -1.002 626 HD21 LEU 32 3HD2 LEU 32 -5.583 -0.323 -2.962 627 HD22 LEU 32 1HD2 LEU 32 -6.460 1.211 -2.972 628 HD23 LEU 32 2HD2 LEU 32 -5.853 0.551 -1.453 629 H LEU 33 H LEU 33 -6.869 4.628 -2.061 630 HA LEU 33 HA LEU 33 -8.660 3.212 -3.753 631 HB2 LEU 33 2HB LEU 33 -9.145 5.455 -1.799 632 HB3 LEU 33 1HB LEU 33 -10.417 4.536 -2.581 633 HG LEU 33 HG LEU 33 -8.330 3.240 -0.838 634 HD11 LEU 33 1HD1 LEU 33 -10.001 3.283 0.957 635 HD12 LEU 33 2HD1 LEU 33 -11.045 4.291 -0.047 636 HD13 LEU 33 3HD1 LEU 33 -9.485 4.907 0.500 637 HD21 LEU 33 3HD2 LEU 33 -9.604 1.820 -2.424 638 HD22 LEU 33 1HD2 LEU 33 -11.096 2.351 -1.645 639 HD23 LEU 33 2HD2 LEU 33 -9.905 1.424 -0.731 640 H GLN 34 H GLN 34 -7.047 6.181 -4.113 641 HA GLN 34 HA GLN 34 -9.051 7.255 -5.933 642 HB2 GLN 34 2HB GLN 34 -6.424 8.371 -4.950 643 HB3 GLN 34 1HB GLN 34 -7.460 9.187 -6.110 644 HG2 GLN 34 2HG GLN 34 -8.110 8.516 -3.255 645 HG3 GLN 34 1HG GLN 34 -7.850 10.116 -3.947 646 HE21 GLN 34 1HE2 GLN 34 -10.169 8.918 -2.541 647 HE22 GLN 34 2HE2 GLN 34 -11.519 9.129 -3.612 648 H THR 35 H THR 35 -6.183 5.409 -5.998 649 HA THR 35 HA THR 35 -5.691 6.034 -8.809 650 HB THR 35 HB THR 35 -3.713 4.364 -8.347 651 HG1 THR 35 1HG THR 35 -4.119 5.395 -5.723 652 HG21 THR 35 3HG2 THR 35 -3.768 7.153 -7.184 653 HG22 THR 35 1HG2 THR 35 -3.484 6.754 -8.877 654 HG23 THR 35 2HG2 THR 35 -2.325 6.247 -7.646 655 H LYS 36 H LYS 36 -6.579 3.331 -6.698 656 HA LYS 36 HA LYS 36 -6.972 1.676 -9.099 657 HB2 LYS 36 2HB LYS 36 -6.676 0.903 -6.196 658 HB3 LYS 36 1HB LYS 36 -7.098 -0.232 -7.472 659 HG2 LYS 36 2HG LYS 36 -4.968 -0.499 -7.993 660 HG3 LYS 36 1HG LYS 36 -4.778 1.237 -8.251 661 HD2 LYS 36 2HD LYS 36 -4.664 1.327 -5.650 662 HD3 LYS 36 1HD LYS 36 -4.274 -0.389 -5.789 663 HE2 LYS 36 2HE LYS 36 -2.234 0.895 -5.699 664 HE3 LYS 36 1HE LYS 36 -2.413 0.204 -7.311 665 HZ1 LYS 36 3HZ LYS 36 -3.189 2.317 -8.125 666 HZ2 LYS 36 1HZ LYS 36 -1.697 2.543 -7.356 667 HZ3 LYS 36 2HZ LYS 36 -3.136 2.994 -6.577 668 H ASN 37 H ASN 37 -8.693 3.796 -7.620 669 HA ASN 37 HA ASN 37 -10.905 4.262 -7.506 670 HB2 ASN 37 2HB ASN 37 -10.842 2.467 -9.520 671 HB3 ASN 37 1HB ASN 37 -11.849 1.591 -8.373 672 HD21 ASN 37 1HD2 ASN 37 -12.453 2.837 -10.976 673 HD22 ASN 37 2HD2 ASN 37 -13.776 3.912 -10.672 674 H TYR 38 H TYR 38 -13.049 3.294 -6.543 675 HA TYR 38 HA TYR 38 -12.352 2.445 -3.857 676 HB2 TYR 38 2HB TYR 38 -15.080 3.087 -4.998 677 HB3 TYR 38 1HB TYR 38 -14.651 2.972 -3.298 678 HD1 TYR 38 1HD TYR 38 -12.990 4.683 -2.376 679 HD2 TYR 38 2HD TYR 38 -14.938 5.132 -6.133 680 HE1 TYR 38 1HE TYR 38 -12.518 7.097 -2.330 681 HE2 TYR 38 2HE TYR 38 -14.469 7.543 -6.093 682 HH TYR 38 HH TYR 38 -13.880 9.278 -4.705 683 H ASP 39 H ASP 39 -11.826 0.387 -5.604 684 HA ASP 39 HA ASP 39 -14.104 -1.448 -5.345 685 HB2 ASP 39 2HB ASP 39 -12.957 -1.202 -7.585 686 HB3 ASP 39 1HB ASP 39 -11.532 -1.942 -6.859 687 H ILE 40 H ILE 40 -14.137 -2.506 -3.496 688 HA ILE 40 HA ILE 40 -11.927 -2.848 -1.774 689 HB ILE 40 HB ILE 40 -14.462 -4.484 -1.720 690 HG12 ILE 40 2HG1 ILE 40 -14.042 -1.832 -0.337 691 HG13 ILE 40 1HG1 ILE 40 -14.838 -1.967 -1.902 692 HG21 ILE 40 1HG2 ILE 40 -12.738 -5.261 -0.215 693 HG22 ILE 40 2HG2 ILE 40 -14.046 -4.516 0.704 694 HG23 ILE 40 3HG2 ILE 40 -12.540 -3.634 0.442 695 HD11 ILE 40 3HD1 ILE 40 -15.757 -3.292 0.640 696 HD12 ILE 40 1HD1 ILE 40 -16.567 -3.356 -0.925 697 HD13 ILE 40 2HD1 ILE 40 -16.436 -1.825 -0.063 698 H GLY 41 H GLY 41 -13.474 -4.992 -4.115 699 HA2 GLY 41 2HA GLY 41 -12.212 -7.392 -3.449 700 HA3 GLY 41 1HA GLY 41 -12.790 -6.969 -5.053 701 H ALA 42 H ALA 42 -11.221 -4.979 -5.862 702 HA ALA 42 HA ALA 42 -8.817 -6.285 -6.565 703 HB1 ALA 42 1HB ALA 42 -8.238 -4.240 -7.707 704 HB2 ALA 42 2HB ALA 42 -9.465 -3.351 -6.805 705 HB3 ALA 42 3HB ALA 42 -9.946 -4.593 -7.961 706 H ALA 43 H ALA 43 -9.572 -3.801 -4.182 707 HA ALA 43 HA ALA 43 -7.011 -3.008 -3.457 708 HB1 ALA 43 1HB ALA 43 -9.458 -3.234 -1.710 709 HB2 ALA 43 2HB ALA 43 -8.990 -1.843 -2.691 710 HB3 ALA 43 3HB ALA 43 -7.998 -2.325 -1.315 711 H LEU 44 H LEU 44 -8.976 -5.597 -1.998 712 HA LEU 44 HA LEU 44 -7.037 -6.411 -0.118 713 HB2 LEU 44 2HB LEU 44 -9.563 -7.504 -1.204 714 HB3 LEU 44 1HB LEU 44 -8.468 -8.675 -0.493 715 HG LEU 44 HG LEU 44 -8.490 -7.426 1.622 716 HD11 LEU 44 1HD1 LEU 44 -10.091 -5.610 1.967 717 HD12 LEU 44 2HD1 LEU 44 -10.499 -5.642 0.251 718 HD13 LEU 44 3HD1 LEU 44 -8.874 -5.182 0.764 719 HD21 LEU 44 3HD2 LEU 44 -10.758 -7.965 2.290 720 HD22 LEU 44 1HD2 LEU 44 -10.118 -9.219 1.230 721 HD23 LEU 44 2HD2 LEU 44 -11.261 -8.034 0.601 722 H ASP 45 H ASP 45 -7.817 -7.619 -3.352 723 HA ASP 45 HA ASP 45 -6.046 -9.791 -3.410 724 HB2 ASP 45 2HB ASP 45 -7.736 -9.658 -5.087 725 HB3 ASP 45 1HB ASP 45 -7.201 -8.063 -5.601 726 H THR 46 H THR 46 -5.529 -6.405 -4.131 727 HA THR 46 HA THR 46 -3.051 -6.612 -5.407 728 HB THR 46 HB THR 46 -4.073 -4.334 -3.699 729 HG1 THR 46 1HG THR 46 -5.527 -4.689 -5.348 730 HG21 THR 46 3HG2 THR 46 -2.587 -2.926 -5.020 731 HG22 THR 46 1HG2 THR 46 -2.014 -4.335 -5.912 732 HG23 THR 46 2HG2 THR 46 -1.661 -4.176 -4.191 733 H ILE 47 H ILE 47 -3.862 -6.605 -1.969 734 HA ILE 47 HA ILE 47 -0.989 -6.641 -1.343 735 HB ILE 47 HB ILE 47 -1.663 -6.215 1.005 736 HG12 ILE 47 2HG1 ILE 47 -4.417 -5.680 -0.113 737 HG13 ILE 47 1HG1 ILE 47 -3.990 -7.184 0.692 738 HG21 ILE 47 1HG2 ILE 47 -2.706 -4.194 -0.977 739 HG22 ILE 47 2HG2 ILE 47 -1.018 -4.390 -0.508 740 HG23 ILE 47 3HG2 ILE 47 -2.208 -3.871 0.684 741 HD11 ILE 47 3HD1 ILE 47 -3.891 -4.440 1.912 742 HD12 ILE 47 1HD1 ILE 47 -3.468 -5.949 2.723 743 HD13 ILE 47 2HD1 ILE 47 -5.127 -5.667 2.196 744 H GLN 48 H GLN 48 -3.220 -8.827 -2.032 745 HA GLN 48 HA GLN 48 -3.360 -11.073 -1.776 746 HB2 GLN 48 2HB GLN 48 -0.769 -10.507 -0.540 747 HB3 GLN 48 1HB GLN 48 -1.552 -11.953 0.082 748 HG2 GLN 48 2HG GLN 48 -0.844 -11.351 -2.774 749 HG3 GLN 48 1HG GLN 48 -0.118 -12.561 -1.720 750 HE21 GLN 48 1HE2 GLN 48 -1.491 -12.788 -4.332 751 HE22 GLN 48 2HE2 GLN 48 -2.744 -13.958 -4.080 752 H TYR 49 H TYR 49 -2.875 -9.321 1.250 753 HA TYR 49 HA TYR 49 -4.135 -11.190 2.936 754 HB2 TYR 49 2HB TYR 49 -3.561 -8.247 3.171 755 HB3 TYR 49 1HB TYR 49 -4.451 -9.101 4.427 756 HD1 TYR 49 2HD TYR 49 -3.349 -10.841 5.763 757 HD2 TYR 49 1HD TYR 49 -1.184 -8.570 2.888 758 HE1 TYR 49 2HE TYR 49 -1.239 -11.572 6.779 759 HE2 TYR 49 1HE TYR 49 0.936 -9.294 3.904 760 HH TYR 49 HH TYR 49 1.681 -10.126 6.239 761 H SER 50 H SER 50 -5.999 -11.827 1.747 762 HA SER 50 HA SER 50 -8.196 -9.869 1.802 763 HB2 SER 50 2HB SER 50 -8.174 -12.447 0.233 764 HB3 SER 50 1HB SER 50 -9.203 -11.035 -0.006 765 HG SER 50 HG SER 50 -6.443 -10.663 -0.197 766 H LYS 51 H LYS 51 -7.040 -12.879 3.019 767 HA LYS 51 HA LYS 51 -9.591 -13.289 4.433 768 HB2 LYS 51 2HB LYS 51 -7.624 -15.414 3.556 769 HB3 LYS 51 1HB LYS 51 -9.095 -15.697 4.472 770 HG2 LYS 51 2HG LYS 51 -10.421 -14.883 2.577 771 HG3 LYS 51 1HG LYS 51 -8.934 -14.631 1.660 772 HD2 LYS 51 2HD LYS 51 -9.681 -16.704 0.915 773 HD3 LYS 51 1HD LYS 51 -8.482 -17.122 2.139 774 HE2 LYS 51 2HE LYS 51 -10.418 -18.513 2.445 775 HE3 LYS 51 1HE LYS 51 -10.324 -17.371 3.784 776 HZ1 LYS 51 3HZ LYS 51 -12.070 -17.068 1.400 777 HZ2 LYS 51 1HZ LYS 51 -12.007 -16.020 2.727 778 HZ3 LYS 51 2HZ LYS 51 -12.580 -17.596 2.923 779 H HIS 52 H HIS 52 -6.180 -14.321 4.651 780 HA HIS 52 HA HIS 52 -5.852 -13.097 7.223 781 HB2 HIS 52 2HB HIS 52 -7.034 -15.508 7.426 782 HB3 HIS 52 1HB HIS 52 -5.353 -16.026 7.343 783 HD1 HIS 52 1HD HIS 52 -3.950 -13.982 9.057 784 HD2 HIS 52 2HD HIS 52 -7.648 -15.597 10.053 785 HE1 HIS 52 1HE HIS 52 -4.170 -13.690 11.546 786 HE2 HIS 52 2HE HIS 52 -6.478 -14.538 12.093
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