NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
477509 | 2l09 | 17035 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -10.286 10.441 -3.844 2 H2 MET 1 2H MET 1 -10.821 11.289 -5.211 3 H3 MET 1 3H MET 1 -9.209 11.428 -4.707 4 HA MET 1 HA MET 1 -10.505 8.959 -5.698 5 HB2 MET 1 2HB MET 1 -8.610 10.910 -7.009 6 HB3 MET 1 3HB MET 1 -8.832 9.268 -7.597 7 HG2 MET 1 2HG MET 1 -10.180 10.781 -8.879 8 HG3 MET 1 3HG MET 1 -11.219 9.725 -7.926 9 HE1 MET 1 3HE MET 1 -13.334 12.983 -7.982 10 HE2 MET 1 1HE MET 1 -13.344 11.232 -8.198 11 HE3 MET 1 2HE MET 1 -12.402 12.250 -9.287 12 H ASN 2 H ASN 2 -7.312 10.476 -5.161 13 HA ASN 2 HA ASN 2 -6.346 7.853 -4.233 14 HB2 ASN 2 2HB ASN 2 -4.098 8.659 -4.651 15 HB3 ASN 2 3HB ASN 2 -5.073 8.926 -6.088 16 HD21 ASN 2 1HD2 ASN 2 -3.314 10.409 -3.500 17 HD22 ASN 2 2HD2 ASN 2 -3.402 12.033 -4.096 18 H LEU 3 H LEU 3 -4.925 7.845 -2.351 19 HA LEU 3 HA LEU 3 -5.718 9.902 -0.420 20 HB2 LEU 3 2HB LEU 3 -4.491 7.174 0.001 21 HB3 LEU 3 3HB LEU 3 -4.870 8.307 1.286 22 HG LEU 3 HG LEU 3 -6.858 6.987 -0.566 23 HD11 LEU 3 1HD1 LEU 3 -7.634 5.868 1.450 24 HD12 LEU 3 2HD1 LEU 3 -6.366 6.659 2.386 25 HD13 LEU 3 3HD1 LEU 3 -5.940 5.496 1.131 26 HD21 LEU 3 3HD2 LEU 3 -7.301 8.931 1.697 27 HD22 LEU 3 1HD2 LEU 3 -8.566 8.061 0.830 28 HD23 LEU 3 2HD2 LEU 3 -7.570 9.245 -0.018 29 H ARG 4 H ARG 4 -3.817 10.109 1.348 30 HA ARG 4 HA ARG 4 -1.676 11.334 -0.173 31 HB2 ARG 4 2HB ARG 4 -2.191 11.274 2.804 32 HB3 ARG 4 3HB ARG 4 -0.941 12.222 2.008 33 HG2 ARG 4 2HG ARG 4 -2.718 13.407 0.750 34 HG3 ARG 4 3HG ARG 4 -3.917 12.533 1.706 35 HD2 ARG 4 2HD ARG 4 -2.944 13.485 3.756 36 HD3 ARG 4 3HD ARG 4 -1.794 14.389 2.774 37 HE ARG 4 HE ARG 4 -4.670 14.896 3.028 38 HH11 ARG 4 1HH1 ARG 4 -1.593 15.729 1.555 39 HH12 ARG 4 2HH1 ARG 4 -2.080 17.349 1.155 40 HH21 ARG 4 1HH2 ARG 4 -5.316 17.024 2.482 41 HH22 ARG 4 2HH2 ARG 4 -4.198 18.078 1.661 42 H TRP 5 H TRP 5 -0.034 10.151 -0.788 43 HA TRP 5 HA TRP 5 0.771 7.834 0.775 44 HB2 TRP 5 2HB TRP 5 1.588 8.817 -1.963 45 HB3 TRP 5 3HB TRP 5 2.353 7.450 -1.168 46 HD1 TRP 5 HD1 TRP 5 -1.230 8.472 -2.301 47 HE1 TRP 5 HE1 TRP 5 -2.459 6.318 -3.025 48 HE3 TRP 5 HE3 TRP 5 2.407 5.056 -1.176 49 HZ2 TRP 5 HZ2 TRP 5 -1.925 3.546 -3.120 50 HZ3 TRP 5 HZ3 TRP 5 1.966 2.676 -1.623 51 HH2 TRP 5 HH2 TRP 5 -0.155 1.942 -2.570 52 H THR 6 H THR 6 2.362 7.911 2.193 53 HA THR 6 HA THR 6 4.009 10.209 2.528 54 HB THR 6 HB THR 6 5.246 8.740 4.177 55 HG1 THR 6 HG1 THR 6 3.153 6.873 3.920 56 HG21 THR 6 3HG2 THR 6 3.411 10.155 4.918 57 HG22 THR 6 1HG2 THR 6 3.367 8.610 5.771 58 HG23 THR 6 2HG2 THR 6 2.240 8.920 4.447 59 H SER 7 H SER 7 6.372 10.214 2.385 60 HA SER 7 HA SER 7 7.293 9.460 -0.132 61 HB2 SER 7 2HB SER 7 8.953 10.025 2.335 62 HB3 SER 7 3HB SER 7 9.506 10.117 0.662 63 HG SER 7 HG SER 7 7.374 11.614 0.749 64 H GLU 8 H GLU 8 7.624 7.855 2.993 65 HA GLU 8 HA GLU 8 9.304 5.762 2.109 66 HB2 GLU 8 2HB GLU 8 7.307 5.621 4.370 67 HB3 GLU 8 3HB GLU 8 8.742 4.632 4.163 68 HG2 GLU 8 2HG GLU 8 9.437 6.122 5.753 69 HG3 GLU 8 3HG GLU 8 9.995 6.911 4.279 70 H ALA 9 H ALA 9 5.786 6.104 2.303 71 HA ALA 9 HA ALA 9 5.121 3.452 1.604 72 HB1 ALA 9 3HB ALA 9 3.502 4.974 2.602 73 HB2 ALA 9 1HB ALA 9 2.905 4.340 1.069 74 HB3 ALA 9 2HB ALA 9 3.540 5.982 1.156 75 H LYS 10 H LYS 10 5.529 6.387 -0.341 76 HA LYS 10 HA LYS 10 4.998 5.373 -2.862 77 HB2 LYS 10 2HB LYS 10 7.080 7.396 -2.018 78 HB3 LYS 10 3HB LYS 10 6.590 7.116 -3.684 79 HG2 LYS 10 2HG LYS 10 4.388 7.898 -3.251 80 HG3 LYS 10 3HG LYS 10 4.682 7.944 -1.513 81 HD2 LYS 10 2HD LYS 10 4.771 10.183 -2.473 82 HD3 LYS 10 3HD LYS 10 6.347 9.704 -1.839 83 HE2 LYS 10 2HE LYS 10 7.090 9.141 -4.095 84 HE3 LYS 10 3HE LYS 10 5.508 9.582 -4.735 85 HZ1 LYS 10 3HZ LYS 10 7.396 11.421 -3.365 86 HZ2 LYS 10 1HZ LYS 10 5.869 11.844 -3.975 87 HZ3 LYS 10 2HZ LYS 10 7.107 11.365 -5.035 88 H THR 11 H THR 11 8.076 5.320 -1.073 89 HA THR 11 HA THR 11 9.573 3.993 -3.056 90 HB THR 11 HB THR 11 10.013 3.892 -0.065 91 HG1 THR 11 HG1 THR 11 10.814 5.870 -0.217 92 HG21 THR 11 3HG2 THR 11 12.382 3.604 -0.684 93 HG22 THR 11 1HG2 THR 11 11.924 3.557 -2.387 94 HG23 THR 11 2HG2 THR 11 11.382 2.285 -1.292 95 H LYS 12 H LYS 12 7.683 2.790 -0.312 96 HA LYS 12 HA LYS 12 8.331 0.068 -0.594 97 HB2 LYS 12 2HB LYS 12 6.106 1.583 0.700 98 HB3 LYS 12 3HB LYS 12 5.955 -0.159 0.528 99 HG2 LYS 12 2HG LYS 12 8.284 1.204 1.850 100 HG3 LYS 12 3HG LYS 12 6.878 0.569 2.710 101 HD2 LYS 12 2HD LYS 12 7.344 -1.658 1.859 102 HD3 LYS 12 3HD LYS 12 8.714 -1.039 0.938 103 HE2 LYS 12 2HE LYS 12 9.836 -0.413 3.004 104 HE3 LYS 12 3HE LYS 12 8.451 -0.974 3.939 105 HZ1 LYS 12 3HZ LYS 12 8.855 -3.195 3.299 106 HZ2 LYS 12 1HZ LYS 12 10.354 -2.564 3.782 107 HZ3 LYS 12 2HZ LYS 12 10.002 -2.741 2.133 108 H LEU 13 H LEU 13 5.802 2.036 -2.060 109 HA LEU 13 HA LEU 13 4.393 -0.042 -3.329 110 HB2 LEU 13 2HB LEU 13 3.554 2.265 -3.055 111 HB3 LEU 13 3HB LEU 13 4.739 2.829 -4.215 112 HG LEU 13 HG LEU 13 3.645 1.503 -5.978 113 HD11 LEU 13 1HD1 LEU 13 1.612 0.846 -3.855 114 HD12 LEU 13 2HD1 LEU 13 2.757 -0.288 -4.572 115 HD13 LEU 13 3HD1 LEU 13 1.496 0.442 -5.567 116 HD21 LEU 13 3HD2 LEU 13 1.751 3.298 -4.464 117 HD22 LEU 13 1HD2 LEU 13 1.623 2.854 -6.167 118 HD23 LEU 13 2HD2 LEU 13 2.984 3.829 -5.611 119 H LYS 14 H LYS 14 7.258 1.763 -4.227 120 HA LYS 14 HA LYS 14 7.442 0.842 -6.906 121 HB2 LYS 14 2HB LYS 14 9.630 1.812 -5.052 122 HB3 LYS 14 3HB LYS 14 9.763 1.653 -6.797 123 HG2 LYS 14 2HG LYS 14 8.191 3.402 -7.155 124 HG3 LYS 14 3HG LYS 14 7.772 3.456 -5.441 125 HD2 LYS 14 2HD LYS 14 10.127 4.121 -4.960 126 HD3 LYS 14 3HD LYS 14 10.406 4.221 -6.699 127 HE2 LYS 14 2HE LYS 14 8.271 5.772 -5.247 128 HE3 LYS 14 3HE LYS 14 9.883 6.402 -5.580 129 HZ1 LYS 14 3HZ LYS 14 8.067 5.410 -7.708 130 HZ2 LYS 14 1HZ LYS 14 9.492 6.314 -7.892 131 HZ3 LYS 14 2HZ LYS 14 8.110 7.030 -7.211 132 H ASN 15 H ASN 15 8.380 -0.507 -3.831 133 HA ASN 15 HA ASN 15 10.197 -2.454 -4.902 134 HB2 ASN 15 2HB ASN 15 8.844 -2.231 -2.209 135 HB3 ASN 15 3HB ASN 15 9.987 -3.503 -2.617 136 HD21 ASN 15 1HD2 ASN 15 10.252 -1.592 -0.536 137 HD22 ASN 15 2HD2 ASN 15 11.672 -0.658 -0.868 138 H ILE 16 H ILE 16 6.845 -2.193 -4.813 139 HA ILE 16 HA ILE 16 6.294 -5.035 -4.788 140 HB ILE 16 HB ILE 16 4.507 -2.649 -5.338 141 HG12 ILE 16 2HG1 ILE 16 4.810 -4.427 -2.907 142 HG13 ILE 16 3HG1 ILE 16 5.367 -2.764 -3.044 143 HG21 ILE 16 1HG2 ILE 16 3.748 -5.543 -4.951 144 HG22 ILE 16 2HG2 ILE 16 3.628 -4.629 -6.455 145 HG23 ILE 16 3HG2 ILE 16 2.622 -4.192 -5.073 146 HD11 ILE 16 3HD1 ILE 16 3.310 -2.908 -1.768 147 HD12 ILE 16 1HD1 ILE 16 2.501 -3.677 -3.132 148 HD13 ILE 16 2HD1 ILE 16 3.059 -2.009 -3.265 149 HA PRO 17 HA PRO 17 7.002 -5.798 -9.114 150 HB2 PRO 17 2HB PRO 17 4.618 -7.565 -8.840 151 HB3 PRO 17 3HB PRO 17 6.226 -7.931 -9.477 152 HG2 PRO 17 2HG PRO 17 5.504 -8.786 -7.068 153 HG3 PRO 17 3HG PRO 17 7.149 -8.192 -7.363 154 HD2 PRO 17 2HD PRO 17 4.862 -6.847 -5.995 155 HD3 PRO 17 3HD PRO 17 6.591 -6.800 -5.607 156 H PHE 18 H PHE 18 6.305 -4.916 -10.956 157 HA PHE 18 HA PHE 18 4.379 -2.900 -10.898 158 HB2 PHE 18 2HB PHE 18 5.940 -2.498 -12.503 159 HB3 PHE 18 3HB PHE 18 6.071 -4.188 -12.965 160 HD1 PHE 18 HD1 PHE 18 3.947 -1.169 -13.319 161 HD2 PHE 18 HD2 PHE 18 4.962 -5.007 -14.849 162 HE1 PHE 18 HE1 PHE 18 2.597 -0.723 -15.327 163 HE2 PHE 18 HE2 PHE 18 3.613 -4.569 -16.857 164 HZ PHE 18 HZ PHE 18 2.430 -2.424 -17.099 165 H PHE 19 H PHE 19 4.105 -6.239 -11.955 166 HA PHE 19 HA PHE 19 1.687 -6.013 -13.358 167 HB2 PHE 19 2HB PHE 19 2.777 -8.378 -11.826 168 HB3 PHE 19 3HB PHE 19 1.461 -8.446 -12.992 169 HD1 PHE 19 HD2 PHE 19 1.929 -7.929 -15.389 170 HD2 PHE 19 HD1 PHE 19 5.031 -8.403 -12.515 171 HE1 PHE 19 HE2 PHE 19 3.557 -8.266 -17.205 172 HE2 PHE 19 HE1 PHE 19 6.662 -8.742 -14.323 173 HZ PHE 19 HZ PHE 19 5.925 -8.673 -16.674 174 H ALA 20 H ALA 20 2.341 -6.116 -9.939 175 HA ALA 20 HA ALA 20 -0.549 -6.368 -9.422 176 HB1 ALA 20 3HB ALA 20 1.704 -7.195 -7.595 177 HB2 ALA 20 1HB ALA 20 0.758 -8.287 -8.609 178 HB3 ALA 20 2HB ALA 20 -0.026 -7.400 -7.299 179 H ARG 21 H ARG 21 1.462 -3.972 -9.734 180 HA ARG 21 HA ARG 21 1.472 -2.777 -7.146 181 HB2 ARG 21 2HB ARG 21 2.206 -1.826 -9.874 182 HB3 ARG 21 3HB ARG 21 1.989 -0.643 -8.592 183 HG2 ARG 21 2HG ARG 21 3.562 -2.202 -7.245 184 HG3 ARG 21 3HG ARG 21 4.013 -2.813 -8.836 185 HD2 ARG 21 2HD ARG 21 4.074 0.097 -8.079 186 HD3 ARG 21 3HD ARG 21 5.461 -0.981 -7.936 187 HE ARG 21 HE ARG 21 4.135 -0.388 -10.509 188 HH11 ARG 21 1HH1 ARG 21 6.960 -0.987 -8.550 189 HH12 ARG 21 2HH1 ARG 21 8.095 -0.682 -9.830 190 HH21 ARG 21 1HH2 ARG 21 5.616 0.041 -12.219 191 HH22 ARG 21 2HH2 ARG 21 7.328 -0.083 -11.918 192 H SER 22 H SER 22 -0.531 -2.257 -10.040 193 HA SER 22 HA SER 22 -2.233 -0.326 -8.924 194 HB2 SER 22 2HB SER 22 -2.233 -0.885 -11.321 195 HB3 SER 22 3HB SER 22 -2.868 -2.488 -10.954 196 HG SER 22 HG SER 22 -4.182 -0.035 -10.344 197 H GLN 23 H GLN 23 -2.363 -3.847 -8.934 198 HA GLN 23 HA GLN 23 -4.713 -4.271 -7.516 199 HB2 GLN 23 2HB GLN 23 -3.519 -6.080 -8.601 200 HB3 GLN 23 3HB GLN 23 -2.133 -5.853 -7.544 201 HG2 GLN 23 2HG GLN 23 -3.310 -7.767 -6.796 202 HG3 GLN 23 3HG GLN 23 -3.591 -6.479 -5.625 203 HE21 GLN 23 1HE2 GLN 23 -5.634 -5.523 -5.506 204 HE22 GLN 23 2HE2 GLN 23 -7.032 -6.286 -6.178 205 H ALA 24 H ALA 24 -1.392 -3.930 -6.302 206 HA ALA 24 HA ALA 24 -2.036 -4.212 -3.574 207 HB1 ALA 24 3HB ALA 24 0.196 -3.402 -3.133 208 HB2 ALA 24 1HB ALA 24 0.330 -2.795 -4.784 209 HB3 ALA 24 2HB ALA 24 0.223 -4.530 -4.490 210 H LYS 25 H LYS 25 -1.592 -1.329 -5.613 211 HA LYS 25 HA LYS 25 -1.786 0.624 -3.651 212 HB2 LYS 25 2HB LYS 25 -1.181 1.054 -6.008 213 HB3 LYS 25 3HB LYS 25 -2.847 0.755 -6.479 214 HG2 LYS 25 2HG LYS 25 -3.589 2.679 -5.222 215 HG3 LYS 25 3HG LYS 25 -1.949 2.953 -4.631 216 HD2 LYS 25 2HD LYS 25 -1.194 3.317 -6.938 217 HD3 LYS 25 3HD LYS 25 -2.845 3.069 -7.508 218 HE2 LYS 25 2HE LYS 25 -1.946 5.247 -5.626 219 HE3 LYS 25 3HE LYS 25 -2.259 5.451 -7.347 220 HZ1 LYS 25 3HZ LYS 25 -4.565 4.406 -6.599 221 HZ2 LYS 25 1HZ LYS 25 -4.265 6.075 -6.546 222 HZ3 LYS 25 2HZ LYS 25 -4.140 5.143 -5.134 223 H ALA 26 H ALA 26 -4.361 -0.997 -5.467 224 HA ALA 26 HA ALA 26 -6.535 0.426 -4.402 225 HB1 ALA 26 3HB ALA 26 -6.732 -1.032 -6.351 226 HB2 ALA 26 1HB ALA 26 -7.896 -1.481 -5.103 227 HB3 ALA 26 2HB ALA 26 -6.435 -2.442 -5.333 228 H ARG 27 H ARG 27 -4.838 -2.459 -3.276 229 HA ARG 27 HA ARG 27 -6.546 -3.004 -1.082 230 HB2 ARG 27 2HB ARG 27 -3.615 -3.685 -1.380 231 HB3 ARG 27 3HB ARG 27 -4.760 -4.458 -0.292 232 HG2 ARG 27 2HG ARG 27 -4.978 -4.491 -3.291 233 HG3 ARG 27 3HG ARG 27 -4.253 -5.775 -2.325 234 HD2 ARG 27 2HD ARG 27 -7.054 -4.810 -1.862 235 HD3 ARG 27 3HD ARG 27 -6.679 -6.070 -3.038 236 HE ARG 27 HE ARG 27 -5.488 -6.807 -0.629 237 HH11 ARG 27 1HH1 ARG 27 -8.699 -6.325 -1.937 238 HH12 ARG 27 2HH1 ARG 27 -9.453 -7.457 -0.850 239 HH21 ARG 27 1HH2 ARG 27 -6.429 -8.282 0.773 240 HH22 ARG 27 2HH2 ARG 27 -8.143 -8.581 0.714 241 H ILE 28 H ILE 28 -3.462 -1.277 -1.327 242 HA ILE 28 HA ILE 28 -3.040 -0.753 1.376 243 HB ILE 28 HB ILE 28 -2.237 0.932 -1.003 244 HG12 ILE 28 2HG1 ILE 28 -0.600 -1.114 0.495 245 HG13 ILE 28 3HG1 ILE 28 -1.523 -1.506 -0.952 246 HG21 ILE 28 1HG2 ILE 28 -0.475 1.821 0.440 247 HG22 ILE 28 2HG2 ILE 28 -1.113 0.892 1.798 248 HG23 ILE 28 3HG2 ILE 28 -2.076 2.187 1.084 249 HD11 ILE 28 3HD1 ILE 28 0.807 -1.115 -1.477 250 HD12 ILE 28 1HD1 ILE 28 0.715 0.493 -0.758 251 HD13 ILE 28 2HD1 ILE 28 -0.211 0.125 -2.213 252 H GLU 29 H GLU 29 -4.631 1.300 -1.062 253 HA GLU 29 HA GLU 29 -5.186 3.403 0.756 254 HB2 GLU 29 2HB GLU 29 -6.444 2.751 -1.919 255 HB3 GLU 29 3HB GLU 29 -6.633 4.272 -1.051 256 HG2 GLU 29 2HG GLU 29 -4.280 4.734 -1.239 257 HG3 GLU 29 3HG GLU 29 -3.993 3.156 -1.971 258 H GLN 30 H GLN 30 -6.931 0.505 -0.168 259 HA GLN 30 HA GLN 30 -9.392 1.229 1.084 260 HB2 GLN 30 2HB GLN 30 -9.117 -0.575 -0.650 261 HB3 GLN 30 3HB GLN 30 -8.340 -1.562 0.581 262 HG2 GLN 30 2HG GLN 30 -10.371 -1.515 1.919 263 HG3 GLN 30 3HG GLN 30 -11.151 -0.496 0.713 264 HE21 GLN 30 1HE2 GLN 30 -9.013 -3.194 0.013 265 HE22 GLN 30 2HE2 GLN 30 -10.226 -4.197 -0.714 266 H LEU 31 H LEU 31 -6.452 -0.397 2.121 267 HA LEU 31 HA LEU 31 -7.305 -1.184 4.693 268 HB2 LEU 31 2HB LEU 31 -4.559 -0.450 3.667 269 HB3 LEU 31 3HB LEU 31 -4.860 -1.167 5.237 270 HG LEU 31 HG LEU 31 -5.670 -2.521 2.670 271 HD11 LEU 31 1HD1 LEU 31 -3.637 -3.864 2.880 272 HD12 LEU 31 2HD1 LEU 31 -3.102 -2.841 4.216 273 HD13 LEU 31 3HD1 LEU 31 -3.267 -2.164 2.596 274 HD21 LEU 31 3HD2 LEU 31 -5.208 -3.542 5.471 275 HD22 LEU 31 1HD2 LEU 31 -5.676 -4.518 4.078 276 HD23 LEU 31 2HD2 LEU 31 -6.778 -3.290 4.704 277 H ALA 32 H ALA 32 -5.907 1.797 3.439 278 HA ALA 32 HA ALA 32 -5.624 3.160 5.872 279 HB1 ALA 32 3HB ALA 32 -4.620 3.944 3.793 280 HB2 ALA 32 1HB ALA 32 -5.607 5.202 4.537 281 HB3 ALA 32 2HB ALA 32 -6.222 4.306 3.147 282 H ARG 33 H ARG 33 -8.396 2.787 3.712 283 HA ARG 33 HA ARG 33 -10.083 4.535 5.193 284 HB2 ARG 33 2HB ARG 33 -10.796 2.317 3.276 285 HB3 ARG 33 3HB ARG 33 -11.922 3.513 3.904 286 HG2 ARG 33 2HG ARG 33 -9.571 3.975 2.094 287 HG3 ARG 33 3HG ARG 33 -11.279 4.195 1.727 288 HD2 ARG 33 2HD ARG 33 -9.537 5.838 3.546 289 HD3 ARG 33 3HD ARG 33 -10.390 6.359 2.095 290 HE ARG 33 HE ARG 33 -11.702 5.661 4.650 291 HH11 ARG 33 1HH1 ARG 33 -11.674 7.364 1.595 292 HH12 ARG 33 2HH1 ARG 33 -12.995 8.409 2.024 293 HH21 ARG 33 1HH2 ARG 33 -13.422 7.015 5.229 294 HH22 ARG 33 2HH2 ARG 33 -13.993 8.215 4.097 295 H GLN 34 H GLN 34 -9.202 1.183 5.489 296 HA GLN 34 HA GLN 34 -11.283 0.413 7.262 297 HB2 GLN 34 2HB GLN 34 -9.681 -1.128 6.026 298 HB3 GLN 34 3HB GLN 34 -8.468 -0.692 7.221 299 HG2 GLN 34 2HG GLN 34 -9.940 -1.569 8.991 300 HG3 GLN 34 3HG GLN 34 -11.094 -2.066 7.756 301 HE21 GLN 34 1HE2 GLN 34 -7.595 -2.257 7.458 302 HE22 GLN 34 2HE2 GLN 34 -7.513 -3.989 7.435 303 H ALA 35 H ALA 35 -8.325 2.171 7.578 304 HA ALA 35 HA ALA 35 -8.583 2.289 10.498 305 HB1 ALA 35 3HB ALA 35 -6.365 3.314 10.455 306 HB2 ALA 35 1HB ALA 35 -6.381 3.279 8.691 307 HB3 ALA 35 2HB ALA 35 -6.375 1.769 9.604 308 H GLU 36 H GLU 36 -9.680 3.905 7.847 309 HA GLU 36 HA GLU 36 -10.522 5.943 7.379 310 HB2 GLU 36 2HB GLU 36 -10.891 5.699 10.317 311 HB3 GLU 36 3HB GLU 36 -11.204 7.263 9.571 312 HG2 GLU 36 2HG GLU 36 -12.441 4.664 8.705 313 HG3 GLU 36 3HG GLU 36 -13.216 5.851 9.760 314 H GLN 37 H GLN 37 -7.800 5.821 7.319 315 HA GLN 37 HA GLN 37 -6.989 8.481 8.294 316 HB2 GLN 37 2HB GLN 37 -4.667 7.681 8.027 317 HB3 GLN 37 3HB GLN 37 -5.580 6.679 9.147 318 HG2 GLN 37 2HG GLN 37 -5.999 5.158 7.122 319 HG3 GLN 37 3HG GLN 37 -4.683 6.048 6.360 320 HE21 GLN 37 1HE2 GLN 37 -3.290 6.405 8.930 321 HE22 GLN 37 2HE2 GLN 37 -2.586 4.865 9.290 322 H ASP 38 H ASP 38 -6.064 9.933 6.830 323 HA ASP 38 HA ASP 38 -6.865 9.475 4.060 324 HB2 ASP 38 2HB ASP 38 -5.671 11.955 5.325 325 HB3 ASP 38 3HB ASP 38 -6.385 11.848 3.723 326 H ILE 39 H ILE 39 -4.165 9.122 5.973 327 HA ILE 39 HA ILE 39 -2.301 9.466 3.717 328 HB ILE 39 HB ILE 39 -1.658 9.628 6.672 329 HG12 ILE 39 2HG1 ILE 39 -1.824 11.902 4.688 330 HG13 ILE 39 3HG1 ILE 39 -3.113 11.494 5.815 331 HG21 ILE 39 1HG2 ILE 39 0.215 8.899 5.301 332 HG22 ILE 39 2HG2 ILE 39 0.488 10.530 5.915 333 HG23 ILE 39 3HG2 ILE 39 -0.005 10.288 4.238 334 HD11 ILE 39 3HD1 ILE 39 -1.629 11.947 7.687 335 HD12 ILE 39 1HD1 ILE 39 -1.769 13.346 6.622 336 HD13 ILE 39 2HD1 ILE 39 -0.324 12.336 6.564 337 H VAL 40 H VAL 40 -1.259 7.672 3.056 338 HA VAL 40 HA VAL 40 -1.621 5.249 4.652 339 HB VAL 40 HB VAL 40 -1.028 3.962 2.716 340 HG11 VAL 40 1HG1 VAL 40 -3.322 4.741 2.797 341 HG12 VAL 40 2HG1 VAL 40 -2.764 4.636 1.129 342 HG13 VAL 40 3HG1 VAL 40 -2.875 6.206 1.922 343 HG21 VAL 40 3HG2 VAL 40 -0.414 4.986 0.573 344 HG22 VAL 40 1HG2 VAL 40 0.774 5.325 1.834 345 HG23 VAL 40 2HG2 VAL 40 -0.381 6.570 1.348 346 H THR 41 H THR 41 -0.001 4.196 5.602 347 HA THR 41 HA THR 41 2.654 5.413 5.500 348 HB THR 41 HB THR 41 3.126 4.028 7.496 349 HG1 THR 41 HG1 THR 41 0.982 3.095 8.388 350 HG21 THR 41 3HG2 THR 41 1.580 5.159 9.047 351 HG22 THR 41 1HG2 THR 41 0.561 5.616 7.682 352 HG23 THR 41 2HG2 THR 41 2.197 6.261 7.817 353 HA PRO 42 HA PRO 42 4.530 2.066 3.234 354 HB2 PRO 42 2HB PRO 42 6.710 1.472 4.818 355 HB3 PRO 42 3HB PRO 42 6.652 2.810 3.666 356 HG2 PRO 42 2HG PRO 42 6.209 2.836 6.627 357 HG3 PRO 42 3HG PRO 42 7.098 3.991 5.615 358 HD2 PRO 42 2HD PRO 42 4.626 4.524 6.496 359 HD3 PRO 42 3HD PRO 42 5.157 5.025 4.875 360 H GLU 43 H GLU 43 3.656 1.758 6.535 361 HA GLU 43 HA GLU 43 4.075 -1.032 6.861 362 HB2 GLU 43 2HB GLU 43 2.230 0.873 8.319 363 HB3 GLU 43 3HB GLU 43 2.661 -0.745 8.864 364 HG2 GLU 43 2HG GLU 43 4.892 -0.138 9.264 365 HG3 GLU 43 3HG GLU 43 4.736 1.352 8.339 366 H LEU 44 H LEU 44 1.317 0.966 5.887 367 HA LEU 44 HA LEU 44 -0.527 -1.158 5.540 368 HB2 LEU 44 2HB LEU 44 -0.334 1.660 4.609 369 HB3 LEU 44 3HB LEU 44 -1.447 0.599 3.770 370 HG LEU 44 HG LEU 44 -2.616 0.153 5.886 371 HD11 LEU 44 1HD1 LEU 44 -2.132 1.499 7.862 372 HD12 LEU 44 2HD1 LEU 44 -0.733 2.200 7.049 373 HD13 LEU 44 3HD1 LEU 44 -0.757 0.479 7.435 374 HD21 LEU 44 3HD2 LEU 44 -3.623 2.371 6.118 375 HD22 LEU 44 1HD2 LEU 44 -3.383 1.931 4.428 376 HD23 LEU 44 2HD2 LEU 44 -2.282 3.068 5.208 377 H VAL 45 H VAL 45 1.766 0.441 3.390 378 HA VAL 45 HA VAL 45 1.119 -0.914 1.025 379 HB VAL 45 HB VAL 45 3.860 0.054 1.857 380 HG11 VAL 45 1HG1 VAL 45 3.871 -1.418 -0.098 381 HG12 VAL 45 2HG1 VAL 45 4.286 0.241 -0.532 382 HG13 VAL 45 3HG1 VAL 45 2.674 -0.384 -0.878 383 HG21 VAL 45 3HG2 VAL 45 2.216 1.833 2.074 384 HG22 VAL 45 1HG2 VAL 45 1.645 1.521 0.436 385 HG23 VAL 45 2HG2 VAL 45 3.279 2.132 0.697 386 H GLU 46 H GLU 46 3.396 -1.698 3.613 387 HA GLU 46 HA GLU 46 4.455 -4.044 2.499 388 HB2 GLU 46 2HB GLU 46 5.304 -2.745 4.522 389 HB3 GLU 46 3HB GLU 46 4.055 -3.561 5.451 390 HG2 GLU 46 2HG GLU 46 6.062 -4.761 5.786 391 HG3 GLU 46 3HG GLU 46 5.061 -5.739 4.713 392 H GLN 47 H GLN 47 1.663 -3.499 4.630 393 HA GLN 47 HA GLN 47 0.922 -6.109 5.145 394 HB2 GLN 47 2HB GLN 47 -0.653 -3.572 4.855 395 HB3 GLN 47 3HB GLN 47 -1.481 -5.093 5.130 396 HG2 GLN 47 2HG GLN 47 0.732 -4.220 6.932 397 HG3 GLN 47 3HG GLN 47 -0.900 -3.592 7.134 398 HE21 GLN 47 1HE2 GLN 47 -0.355 -6.837 5.992 399 HE22 GLN 47 2HE2 GLN 47 -0.850 -7.643 7.435 400 H ALA 48 H ALA 48 -0.079 -4.096 2.379 401 HA ALA 48 HA ALA 48 -1.679 -6.070 1.155 402 HB1 ALA 48 3HB ALA 48 -1.568 -4.675 -0.838 403 HB2 ALA 48 1HB ALA 48 -0.241 -3.754 -0.129 404 HB3 ALA 48 2HB ALA 48 -1.842 -3.696 0.603 405 H ARG 49 H ARG 49 1.735 -5.338 1.002 406 HA ARG 49 HA ARG 49 2.312 -6.998 -1.247 407 HB2 ARG 49 2HB ARG 49 3.755 -5.133 -0.577 408 HB3 ARG 49 3HB ARG 49 4.108 -5.947 0.941 409 HG2 ARG 49 2HG ARG 49 5.049 -7.838 -0.450 410 HG3 ARG 49 3HG ARG 49 4.935 -6.741 -1.830 411 HD2 ARG 49 2HD ARG 49 6.437 -5.203 -0.847 412 HD3 ARG 49 3HD ARG 49 6.353 -6.022 0.712 413 HE ARG 49 HE ARG 49 7.651 -7.140 -1.699 414 HH11 ARG 49 1HH1 ARG 49 7.443 -6.711 1.777 415 HH12 ARG 49 2HH1 ARG 49 8.807 -7.750 2.109 416 HH21 ARG 49 1HH2 ARG 49 9.420 -8.504 -1.268 417 HH22 ARG 49 2HH2 ARG 49 9.919 -8.791 0.372 418 H LEU 50 H LEU 50 2.246 -7.384 2.213 419 HA LEU 50 HA LEU 50 3.516 -9.931 2.288 420 HB2 LEU 50 2HB LEU 50 2.824 -7.988 4.127 421 HB3 LEU 50 3HB LEU 50 1.740 -9.310 4.519 422 HG LEU 50 HG LEU 50 3.833 -9.342 5.844 423 HD11 LEU 50 1HD1 LEU 50 2.599 -11.417 5.421 424 HD12 LEU 50 2HD1 LEU 50 4.335 -11.697 5.534 425 HD13 LEU 50 3HD1 LEU 50 3.548 -11.675 3.957 426 HD21 LEU 50 3HD2 LEU 50 5.138 -9.888 3.180 427 HD22 LEU 50 1HD2 LEU 50 5.930 -9.940 4.758 428 HD23 LEU 50 2HD2 LEU 50 5.310 -8.410 4.131 429 H GLU 51 H GLU 51 0.132 -8.833 2.344 430 HA GLU 51 HA GLU 51 -0.978 -11.370 2.827 431 HB2 GLU 51 2HB GLU 51 -3.096 -10.453 2.030 432 HB3 GLU 51 3HB GLU 51 -2.289 -9.337 3.118 433 HG2 GLU 51 2HG GLU 51 -1.519 -8.035 1.194 434 HG3 GLU 51 3HG GLU 51 -2.367 -9.149 0.119 435 H PHE 52 H PHE 52 -0.117 -9.730 -0.196 436 HA PHE 52 HA PHE 52 -1.112 -11.777 -1.895 437 HB2 PHE 52 2HB PHE 52 1.058 -9.724 -2.368 438 HB3 PHE 52 3HB PHE 52 0.391 -10.770 -3.618 439 HD1 PHE 52 HD1 PHE 52 -2.491 -10.615 -2.443 440 HD2 PHE 52 HD2 PHE 52 0.421 -7.696 -3.497 441 HE1 PHE 52 HE1 PHE 52 -4.283 -8.985 -2.864 442 HE2 PHE 52 HE2 PHE 52 -1.366 -6.060 -3.917 443 HZ PHE 52 HZ PHE 52 -3.722 -6.704 -3.599 444 H GLY 53 H GLY 53 1.915 -11.300 -0.205 445 HA2 GLY 53 2HA GLY 53 3.356 -13.403 -1.451 446 HA3 GLY 53 3HA GLY 53 3.715 -12.687 0.117 447 H GLN 54 H GLN 54 1.202 -13.271 1.329 448 HA GLN 54 HA GLN 54 1.779 -15.913 2.236 449 HB2 GLN 54 2HB GLN 54 -0.548 -14.087 2.850 450 HB3 GLN 54 3HB GLN 54 -0.195 -15.585 3.700 451 HG2 GLN 54 2HG GLN 54 1.870 -14.690 4.534 452 HG3 GLN 54 3HG GLN 54 1.679 -13.236 3.556 453 HE21 GLN 54 1HE2 GLN 54 -1.220 -13.136 4.124 454 HE22 GLN 54 2HE2 GLN 54 -1.342 -12.513 5.736 455 H LEU 55 H LEU 55 -0.668 -14.522 0.103 456 HA LEU 55 HA LEU 55 -2.143 -17.016 0.064 457 HB2 LEU 55 2HB LEU 55 -3.665 -15.858 -1.505 458 HB3 LEU 55 3HB LEU 55 -3.474 -15.038 0.029 459 HG LEU 55 HG LEU 55 -1.751 -13.559 -1.226 460 HD11 LEU 55 1HD1 LEU 55 -1.592 -14.899 -3.255 461 HD12 LEU 55 2HD1 LEU 55 -2.194 -13.278 -3.606 462 HD13 LEU 55 3HD1 LEU 55 -3.310 -14.643 -3.567 463 HD21 LEU 55 3HD2 LEU 55 -3.865 -12.742 -0.384 464 HD22 LEU 55 1HD2 LEU 55 -4.707 -13.392 -1.791 465 HD23 LEU 55 2HD2 LEU 55 -3.554 -12.072 -1.986 466 H GLU 56 H GLU 56 0.602 -16.004 -1.452 467 HA GLU 56 HA GLU 56 0.086 -17.824 -3.696 468 HB2 GLU 56 2HB GLU 56 0.310 -15.081 -3.989 469 HB3 GLU 56 3HB GLU 56 1.920 -15.666 -4.384 470 HG2 GLU 56 2HG GLU 56 -0.672 -16.476 -5.681 471 HG3 GLU 56 3HG GLU 56 0.626 -15.513 -6.390 472 H HIS 57 H HIS 57 1.318 -19.504 -3.191 473 HA HIS 57 HA HIS 57 4.134 -19.016 -2.463 474 HB2 HIS 57 2HB HIS 57 2.276 -21.301 -1.833 475 HB3 HIS 57 3HB HIS 57 4.021 -21.492 -1.736 476 HD1 HIS 57 HD1 HIS 57 4.938 -21.089 0.526 477 HD2 HIS 57 HD2 HIS 57 1.433 -18.942 -0.131 478 HE1 HIS 57 HE1 HIS 57 4.463 -19.881 2.678 479 HE2 HIS 57 HE2 HIS 57 2.247 -18.735 2.315 480 H HIS 58 H HIS 58 3.062 -18.858 -5.086 481 HA HIS 58 HA HIS 58 3.676 -19.330 -7.190 482 HB2 HIS 58 2HB HIS 58 5.967 -19.597 -6.318 483 HB3 HIS 58 3HB HIS 58 5.640 -21.298 -6.004 484 HD1 HIS 58 HD1 HIS 58 5.458 -18.966 -9.019 485 HD2 HIS 58 HD2 HIS 58 6.475 -22.878 -8.038 486 HE1 HIS 58 HE1 HIS 58 6.282 -20.011 -11.155 487 HE2 HIS 58 HE2 HIS 58 6.651 -22.435 -10.584 488 H HIS 59 H HIS 59 4.000 -22.562 -5.663 489 HA HIS 59 HA HIS 59 2.346 -23.616 -7.789 490 HB2 HIS 59 2HB HIS 59 2.853 -25.815 -6.974 491 HB3 HIS 59 3HB HIS 59 4.338 -24.878 -6.968 492 HD1 HIS 59 HD1 HIS 59 2.858 -27.358 -5.077 493 HD2 HIS 59 HD2 HIS 59 4.508 -23.677 -4.052 494 HE1 HIS 59 HE1 HIS 59 3.438 -27.530 -2.636 495 HE2 HIS 59 HE2 HIS 59 4.529 -25.331 -2.062 496 H HIS 60 H HIS 60 0.392 -22.641 -7.459 497 HA HIS 60 HA HIS 60 -0.965 -22.970 -4.919 498 HB2 HIS 60 2HB HIS 60 -2.867 -21.780 -6.253 499 HB3 HIS 60 3HB HIS 60 -1.452 -20.869 -5.749 500 HD1 HIS 60 HD1 HIS 60 -0.133 -19.709 -7.537 501 HD2 HIS 60 HD2 HIS 60 -2.866 -22.452 -9.074 502 HE1 HIS 60 HE1 HIS 60 -0.119 -19.366 -10.030 503 HE2 HIS 60 HE2 HIS 60 -1.880 -20.936 -10.925 504 H HIS 61 H HIS 61 -0.627 -25.350 -5.418 505 HA HIS 61 HA HIS 61 -3.137 -26.545 -5.583 506 HB2 HIS 61 2HB HIS 61 -3.135 -27.731 -7.652 507 HB3 HIS 61 3HB HIS 61 -2.791 -26.058 -8.067 508 HD1 HIS 61 HD1 HIS 61 -1.704 -29.369 -8.799 509 HD2 HIS 61 HD2 HIS 61 0.209 -25.700 -8.354 510 HE1 HIS 61 HE1 HIS 61 0.518 -29.619 -9.939 511 HE2 HIS 61 HE2 HIS 61 1.738 -27.473 -9.463 512 H HIS 62 H HIS 62 -2.747 -29.098 -5.819 513 HA HIS 62 HA HIS 62 -0.118 -29.668 -4.633 514 HB2 HIS 62 2HB HIS 62 -1.079 -31.328 -3.150 515 HB3 HIS 62 3HB HIS 62 -1.854 -29.776 -2.883 516 HD1 HIS 62 HD1 HIS 62 -2.576 -33.258 -3.339 517 HD2 HIS 62 HD2 HIS 62 -4.540 -29.692 -4.208 518 HE1 HIS 62 HE1 HIS 62 -4.991 -33.876 -3.678 519 HE2 HIS 62 HE2 HIS 62 -6.166 -31.716 -4.206 Start of MODEL 2 1 H1 MET 1 1H MET 1 -10.244 7.600 -7.232 2 H2 MET 1 2H MET 1 -11.701 8.012 -6.474 3 H3 MET 1 3H MET 1 -10.824 6.661 -5.948 4 HA MET 1 HA MET 1 -9.887 9.463 -5.795 5 HB2 MET 1 2HB MET 1 -10.994 7.620 -3.671 6 HB3 MET 1 3HB MET 1 -10.109 9.092 -3.312 7 HG2 MET 1 2HG MET 1 -12.408 9.588 -3.107 8 HG3 MET 1 3HG MET 1 -11.847 10.347 -4.596 9 HE1 MET 1 3HE MET 1 -14.944 9.748 -3.740 10 HE2 MET 1 1HE MET 1 -15.579 9.313 -5.327 11 HE3 MET 1 2HE MET 1 -14.446 10.657 -5.167 12 H ASN 2 H ASN 2 -8.038 9.645 -4.319 13 HA ASN 2 HA ASN 2 -6.469 7.193 -3.987 14 HB2 ASN 2 2HB ASN 2 -4.445 8.214 -4.795 15 HB3 ASN 2 3HB ASN 2 -5.667 8.419 -6.046 16 HD21 ASN 2 1HD2 ASN 2 -3.670 9.997 -3.697 17 HD22 ASN 2 2HD2 ASN 2 -3.999 11.621 -4.209 18 H LEU 3 H LEU 3 -4.808 7.441 -2.323 19 HA LEU 3 HA LEU 3 -5.640 9.464 -0.356 20 HB2 LEU 3 2HB LEU 3 -4.210 6.833 -0.012 21 HB3 LEU 3 3HB LEU 3 -4.469 7.984 1.289 22 HG LEU 3 HG LEU 3 -6.619 6.540 -0.267 23 HD11 LEU 3 1HD1 LEU 3 -7.096 5.460 1.849 24 HD12 LEU 3 2HD1 LEU 3 -5.784 6.349 2.622 25 HD13 LEU 3 3HD1 LEU 3 -5.426 5.157 1.371 26 HD21 LEU 3 3HD2 LEU 3 -6.828 8.559 1.964 27 HD22 LEU 3 1HD2 LEU 3 -8.167 7.610 1.315 28 HD23 LEU 3 2HD2 LEU 3 -7.342 8.787 0.291 29 H ARG 4 H ARG 4 -3.675 9.880 1.249 30 HA ARG 4 HA ARG 4 -1.628 11.081 -0.439 31 HB2 ARG 4 2HB ARG 4 -2.869 12.303 1.427 32 HB3 ARG 4 3HB ARG 4 -1.914 11.342 2.550 33 HG2 ARG 4 2HG ARG 4 0.126 12.297 1.711 34 HG3 ARG 4 3HG ARG 4 -0.760 13.172 0.456 35 HD2 ARG 4 2HD ARG 4 -2.045 14.287 2.323 36 HD3 ARG 4 3HD ARG 4 -0.871 13.585 3.435 37 HE ARG 4 HE ARG 4 0.674 14.874 1.615 38 HH11 ARG 4 1HH1 ARG 4 -2.035 15.832 3.605 39 HH12 ARG 4 2HH1 ARG 4 -1.508 17.483 3.762 40 HH21 ARG 4 1HH2 ARG 4 1.366 17.034 1.779 41 HH22 ARG 4 2HH2 ARG 4 0.434 18.171 2.715 42 H TRP 5 H TRP 5 0.125 9.986 -0.863 43 HA TRP 5 HA TRP 5 0.903 7.762 0.862 44 HB2 TRP 5 2HB TRP 5 1.685 8.571 -1.942 45 HB3 TRP 5 3HB TRP 5 2.452 7.240 -1.083 46 HD1 TRP 5 HD1 TRP 5 -1.178 8.250 -2.069 47 HE1 TRP 5 HE1 TRP 5 -2.453 6.097 -2.699 48 HE3 TRP 5 HE3 TRP 5 2.522 4.853 -1.156 49 HZ2 TRP 5 HZ2 TRP 5 -1.927 3.324 -2.805 50 HZ3 TRP 5 HZ3 TRP 5 2.060 2.472 -1.554 51 HH2 TRP 5 HH2 TRP 5 -0.120 1.726 -2.359 52 H THR 6 H THR 6 2.663 7.802 2.135 53 HA THR 6 HA THR 6 4.226 10.212 2.316 54 HB THR 6 HB THR 6 5.387 9.133 4.157 55 HG1 THR 6 HG1 THR 6 5.266 7.013 4.558 56 HG21 THR 6 3HG2 THR 6 3.201 10.077 4.657 57 HG22 THR 6 1HG2 THR 6 3.488 8.640 5.637 58 HG23 THR 6 2HG2 THR 6 2.424 8.550 4.233 59 H SER 7 H SER 7 6.653 10.114 2.285 60 HA SER 7 HA SER 7 7.556 9.230 -0.201 61 HB2 SER 7 2HB SER 7 9.864 9.649 0.796 62 HB3 SER 7 3HB SER 7 8.735 10.998 0.817 63 HG SER 7 HG SER 7 8.461 9.529 3.077 64 H GLU 8 H GLU 8 7.685 7.683 2.948 65 HA GLU 8 HA GLU 8 9.330 5.501 2.191 66 HB2 GLU 8 2HB GLU 8 7.203 5.195 4.274 67 HB3 GLU 8 3HB GLU 8 8.837 4.562 4.260 68 HG2 GLU 8 2HG GLU 8 8.894 6.168 5.917 69 HG3 GLU 8 3HG GLU 8 9.563 7.012 4.520 70 H ALA 9 H ALA 9 5.829 5.960 2.376 71 HA ALA 9 HA ALA 9 5.076 3.347 1.685 72 HB1 ALA 9 3HB ALA 9 2.880 4.308 1.227 73 HB2 ALA 9 1HB ALA 9 3.580 5.928 1.245 74 HB3 ALA 9 2HB ALA 9 3.562 4.959 2.719 75 H LYS 10 H LYS 10 5.586 6.234 -0.312 76 HA LYS 10 HA LYS 10 4.801 5.092 -2.761 77 HB2 LYS 10 2HB LYS 10 6.806 7.311 -2.282 78 HB3 LYS 10 3HB LYS 10 6.001 6.960 -3.806 79 HG2 LYS 10 2HG LYS 10 3.850 7.490 -2.819 80 HG3 LYS 10 3HG LYS 10 4.621 7.792 -1.263 81 HD2 LYS 10 2HD LYS 10 4.229 9.905 -2.274 82 HD3 LYS 10 3HD LYS 10 5.962 9.591 -2.394 83 HE2 LYS 10 2HE LYS 10 5.736 8.945 -4.702 84 HE3 LYS 10 3HE LYS 10 3.979 9.049 -4.600 85 HZ1 LYS 10 3HZ LYS 10 5.017 10.991 -5.671 86 HZ2 LYS 10 1HZ LYS 10 5.821 11.349 -4.224 87 HZ3 LYS 10 2HZ LYS 10 4.130 11.408 -4.284 88 H THR 11 H THR 11 7.900 5.181 -1.079 89 HA THR 11 HA THR 11 9.385 3.953 -3.178 90 HB THR 11 HB THR 11 10.033 4.029 -0.219 91 HG1 THR 11 HG1 THR 11 9.911 6.137 -0.805 92 HG21 THR 11 3HG2 THR 11 12.356 3.798 -0.960 93 HG22 THR 11 1HG2 THR 11 11.816 3.703 -2.635 94 HG23 THR 11 2HG2 THR 11 11.386 2.425 -1.499 95 H LYS 12 H LYS 12 7.779 2.750 -0.249 96 HA LYS 12 HA LYS 12 8.476 0.050 -0.433 97 HB2 LYS 12 2HB LYS 12 6.058 1.463 0.661 98 HB3 LYS 12 3HB LYS 12 6.168 -0.289 0.686 99 HG2 LYS 12 2HG LYS 12 8.266 1.479 1.906 100 HG3 LYS 12 3HG LYS 12 6.842 0.930 2.790 101 HD2 LYS 12 2HD LYS 12 7.514 -1.424 2.187 102 HD3 LYS 12 3HD LYS 12 9.037 -0.755 1.599 103 HE2 LYS 12 2HE LYS 12 9.556 0.105 3.791 104 HE3 LYS 12 3HE LYS 12 7.975 -0.384 4.397 105 HZ1 LYS 12 3HZ LYS 12 9.421 -2.032 5.122 106 HZ2 LYS 12 1HZ LYS 12 10.266 -2.105 3.649 107 HZ3 LYS 12 2HZ LYS 12 8.688 -2.726 3.761 108 H LEU 13 H LEU 13 5.823 1.839 -1.932 109 HA LEU 13 HA LEU 13 4.526 -0.354 -3.123 110 HB2 LEU 13 2HB LEU 13 3.493 1.857 -2.837 111 HB3 LEU 13 3HB LEU 13 4.605 2.531 -4.012 112 HG LEU 13 HG LEU 13 3.614 1.074 -5.752 113 HD11 LEU 13 1HD1 LEU 13 1.691 0.327 -3.554 114 HD12 LEU 13 2HD1 LEU 13 2.826 -0.749 -4.375 115 HD13 LEU 13 3HD1 LEU 13 1.474 -0.048 -5.265 116 HD21 LEU 13 3HD2 LEU 13 2.826 3.368 -5.449 117 HD22 LEU 13 1HD2 LEU 13 1.630 2.805 -4.277 118 HD23 LEU 13 2HD2 LEU 13 1.517 2.304 -5.965 119 H LYS 14 H LYS 14 7.088 1.787 -4.299 120 HA LYS 14 HA LYS 14 7.180 0.725 -6.926 121 HB2 LYS 14 2HB LYS 14 9.278 2.194 -5.321 122 HB3 LYS 14 3HB LYS 14 9.412 1.835 -7.039 123 HG2 LYS 14 2HG LYS 14 7.529 3.219 -7.545 124 HG3 LYS 14 3HG LYS 14 7.178 3.452 -5.832 125 HD2 LYS 14 2HD LYS 14 9.379 4.572 -5.588 126 HD3 LYS 14 3HD LYS 14 9.602 4.432 -7.333 127 HE2 LYS 14 2HE LYS 14 7.654 5.802 -7.732 128 HE3 LYS 14 3HE LYS 14 7.298 5.848 -6.006 129 HZ1 LYS 14 3HZ LYS 14 8.365 7.878 -6.672 130 HZ2 LYS 14 1HZ LYS 14 9.670 7.033 -7.345 131 HZ3 LYS 14 2HZ LYS 14 9.417 7.010 -5.667 132 H ASN 15 H ASN 15 8.191 -0.540 -3.948 133 HA ASN 15 HA ASN 15 10.141 -2.345 -5.130 134 HB2 ASN 15 2HB ASN 15 9.185 -1.813 -2.344 135 HB3 ASN 15 3HB ASN 15 9.958 -3.354 -2.703 136 HD21 ASN 15 1HD2 ASN 15 10.403 0.093 -2.450 137 HD22 ASN 15 2HD2 ASN 15 12.139 0.061 -2.482 138 H ILE 16 H ILE 16 6.840 -2.178 -4.968 139 HA ILE 16 HA ILE 16 6.458 -5.081 -4.991 140 HB ILE 16 HB ILE 16 4.439 -2.834 -5.241 141 HG12 ILE 16 2HG1 ILE 16 5.175 -4.635 -2.929 142 HG13 ILE 16 3HG1 ILE 16 5.418 -2.896 -3.024 143 HG21 ILE 16 1HG2 ILE 16 3.988 -5.802 -4.938 144 HG22 ILE 16 2HG2 ILE 16 3.654 -4.837 -6.377 145 HG23 ILE 16 3HG2 ILE 16 2.734 -4.562 -4.898 146 HD11 ILE 16 3HD1 ILE 16 3.544 -3.409 -1.599 147 HD12 ILE 16 1HD1 ILE 16 2.779 -4.334 -2.891 148 HD13 ILE 16 2HD1 ILE 16 2.977 -2.587 -3.055 149 HA PRO 17 HA PRO 17 6.880 -5.407 -9.435 150 HB2 PRO 17 2HB PRO 17 4.609 -7.314 -9.102 151 HB3 PRO 17 3HB PRO 17 6.143 -7.532 -9.953 152 HG2 PRO 17 2HG PRO 17 5.747 -8.651 -7.576 153 HG3 PRO 17 3HG PRO 17 7.320 -7.951 -8.000 154 HD2 PRO 17 2HD PRO 17 5.193 -6.890 -6.205 155 HD3 PRO 17 3HD PRO 17 6.958 -6.741 -6.079 156 H PHE 18 H PHE 18 5.989 -4.333 -11.095 157 HA PHE 18 HA PHE 18 3.968 -2.466 -10.641 158 HB2 PHE 18 2HB PHE 18 5.666 -2.119 -12.332 159 HB3 PHE 18 3HB PHE 18 5.080 -3.499 -13.254 160 HD1 PHE 18 HD2 PHE 18 4.187 -0.100 -12.093 161 HD2 PHE 18 HD1 PHE 18 3.341 -3.260 -14.818 162 HE1 PHE 18 HE2 PHE 18 2.665 1.380 -13.336 163 HE2 PHE 18 HE1 PHE 18 1.819 -1.786 -16.061 164 HZ PHE 18 HZ PHE 18 1.477 0.537 -15.320 165 H PHE 19 H PHE 19 3.805 -5.636 -12.141 166 HA PHE 19 HA PHE 19 1.254 -5.353 -13.298 167 HB2 PHE 19 2HB PHE 19 2.646 -7.882 -12.388 168 HB3 PHE 19 3HB PHE 19 1.279 -7.799 -13.495 169 HD1 PHE 19 HD2 PHE 19 1.583 -6.624 -15.707 170 HD2 PHE 19 HD1 PHE 19 4.840 -7.635 -13.161 171 HE1 PHE 19 HE2 PHE 19 3.133 -6.390 -17.602 172 HE2 PHE 19 HE1 PHE 19 6.397 -7.399 -15.051 173 HZ PHE 19 HZ PHE 19 5.544 -6.778 -17.277 174 H ALA 20 H ALA 20 2.200 -5.707 -10.055 175 HA ALA 20 HA ALA 20 -0.564 -6.420 -9.302 176 HB1 ALA 20 3HB ALA 20 1.965 -6.917 -7.738 177 HB2 ALA 20 1HB ALA 20 1.066 -8.130 -8.650 178 HB3 ALA 20 2HB ALA 20 0.333 -7.355 -7.246 179 H ARG 21 H ARG 21 1.447 -3.842 -9.562 180 HA ARG 21 HA ARG 21 1.243 -2.685 -6.975 181 HB2 ARG 21 2HB ARG 21 2.037 -1.592 -9.650 182 HB3 ARG 21 3HB ARG 21 1.785 -0.502 -8.291 183 HG2 ARG 21 2HG ARG 21 3.375 -2.154 -7.050 184 HG3 ARG 21 3HG ARG 21 3.864 -2.595 -8.686 185 HD2 ARG 21 2HD ARG 21 3.822 0.244 -7.696 186 HD3 ARG 21 3HD ARG 21 5.226 -0.803 -7.527 187 HE ARG 21 HE ARG 21 4.110 0.185 -10.060 188 HH11 ARG 21 1HH1 ARG 21 6.634 -1.445 -8.288 189 HH12 ARG 21 2HH1 ARG 21 7.851 -1.183 -9.505 190 HH21 ARG 21 1HH2 ARG 21 5.709 0.537 -11.685 191 HH22 ARG 21 2HH2 ARG 21 7.313 -0.077 -11.441 192 H SER 22 H SER 22 -0.663 -2.298 -9.933 193 HA SER 22 HA SER 22 -2.353 -0.266 -8.968 194 HB2 SER 22 2HB SER 22 -3.039 -2.453 -10.951 195 HB3 SER 22 3HB SER 22 -3.832 -0.885 -10.796 196 HG SER 22 HG SER 22 -2.044 -1.250 -12.461 197 H GLN 23 H GLN 23 -2.441 -3.751 -8.717 198 HA GLN 23 HA GLN 23 -5.017 -3.913 -7.502 199 HB2 GLN 23 2HB GLN 23 -4.043 -5.757 -8.793 200 HB3 GLN 23 3HB GLN 23 -2.744 -5.906 -7.622 201 HG2 GLN 23 2HG GLN 23 -4.188 -6.738 -5.972 202 HG3 GLN 23 3HG GLN 23 -5.626 -6.257 -6.874 203 HE21 GLN 23 1HE2 GLN 23 -4.473 -7.184 -9.412 204 HE22 GLN 23 2HE2 GLN 23 -4.596 -8.910 -9.373 205 H ALA 24 H ALA 24 -1.681 -4.010 -6.308 206 HA ALA 24 HA ALA 24 -2.337 -4.395 -3.587 207 HB1 ALA 24 3HB ALA 24 -0.103 -4.838 -4.507 208 HB2 ALA 24 1HB ALA 24 -0.044 -3.750 -3.120 209 HB3 ALA 24 2HB ALA 24 0.130 -3.107 -4.755 210 H LYS 25 H LYS 25 -1.705 -1.476 -5.519 211 HA LYS 25 HA LYS 25 -1.786 0.416 -3.486 212 HB2 LYS 25 2HB LYS 25 -1.113 0.931 -5.786 213 HB3 LYS 25 3HB LYS 25 -2.763 0.681 -6.335 214 HG2 LYS 25 2HG LYS 25 -3.523 2.581 -5.068 215 HG3 LYS 25 3HG LYS 25 -1.916 2.798 -4.373 216 HD2 LYS 25 2HD LYS 25 -1.026 3.210 -6.638 217 HD3 LYS 25 3HD LYS 25 -2.659 3.059 -7.289 218 HE2 LYS 25 2HE LYS 25 -1.810 5.093 -5.229 219 HE3 LYS 25 3HE LYS 25 -1.922 5.409 -6.959 220 HZ1 LYS 25 3HZ LYS 25 -3.902 6.158 -5.847 221 HZ2 LYS 25 1HZ LYS 25 -4.171 4.627 -5.169 222 HZ3 LYS 25 2HZ LYS 25 -4.287 4.852 -6.848 223 H ALA 26 H ALA 26 -4.437 -0.934 -5.416 224 HA ALA 26 HA ALA 26 -6.535 0.531 -4.323 225 HB1 ALA 26 3HB ALA 26 -6.583 -2.336 -5.267 226 HB2 ALA 26 1HB ALA 26 -6.769 -0.912 -6.291 227 HB3 ALA 26 2HB ALA 26 -7.985 -1.282 -5.067 228 H ARG 27 H ARG 27 -5.057 -2.505 -3.227 229 HA ARG 27 HA ARG 27 -6.791 -2.895 -1.023 230 HB2 ARG 27 2HB ARG 27 -5.462 -4.711 -1.942 231 HB3 ARG 27 3HB ARG 27 -3.978 -3.891 -1.489 232 HG2 ARG 27 2HG ARG 27 -4.395 -4.221 0.822 233 HG3 ARG 27 3HG ARG 27 -6.049 -4.752 0.508 234 HD2 ARG 27 2HD ARG 27 -3.530 -6.183 -0.331 235 HD3 ARG 27 3HD ARG 27 -4.588 -6.645 1.003 236 HE ARG 27 HE ARG 27 -5.345 -6.718 -1.855 237 HH11 ARG 27 1HH1 ARG 27 -5.727 -7.825 1.458 238 HH12 ARG 27 2HH1 ARG 27 -6.842 -9.093 1.044 239 HH21 ARG 27 1HH2 ARG 27 -6.801 -8.387 -2.405 240 HH22 ARG 27 2HH2 ARG 27 -7.424 -9.441 -1.171 241 H ILE 28 H ILE 28 -3.576 -1.411 -1.290 242 HA ILE 28 HA ILE 28 -3.099 -0.922 1.412 243 HB ILE 28 HB ILE 28 -2.251 0.754 -0.959 244 HG12 ILE 28 2HG1 ILE 28 -0.678 -1.343 0.535 245 HG13 ILE 28 3HG1 ILE 28 -1.604 -1.698 -0.918 246 HG21 ILE 28 1HG2 ILE 28 -0.440 1.558 0.498 247 HG22 ILE 28 2HG2 ILE 28 -1.156 0.681 1.852 248 HG23 ILE 28 3HG2 ILE 28 -2.031 2.018 1.107 249 HD11 ILE 28 3HD1 ILE 28 0.687 0.240 -0.717 250 HD12 ILE 28 1HD1 ILE 28 -0.233 -0.125 -2.175 251 HD13 ILE 28 2HD1 ILE 28 0.748 -1.377 -1.413 252 H GLU 29 H GLU 29 -4.657 1.185 -0.991 253 HA GLU 29 HA GLU 29 -5.148 3.259 0.891 254 HB2 GLU 29 2HB GLU 29 -6.331 2.773 -1.849 255 HB3 GLU 29 3HB GLU 29 -6.516 4.259 -0.918 256 HG2 GLU 29 2HG GLU 29 -4.089 4.574 -0.938 257 HG3 GLU 29 3HG GLU 29 -3.907 3.096 -1.875 258 H GLN 30 H GLN 30 -6.931 0.415 -0.093 259 HA GLN 30 HA GLN 30 -9.374 1.140 1.190 260 HB2 GLN 30 2HB GLN 30 -8.199 -1.505 0.359 261 HB3 GLN 30 3HB GLN 30 -9.712 -1.414 1.249 262 HG2 GLN 30 2HG GLN 30 -10.691 -0.069 -0.523 263 HG3 GLN 30 3HG GLN 30 -9.168 -0.112 -1.409 264 HE21 GLN 30 1HE2 GLN 30 -10.382 -2.860 0.354 265 HE22 GLN 30 2HE2 GLN 30 -10.770 -3.826 -1.028 266 H LEU 31 H LEU 31 -6.441 -0.522 2.226 267 HA LEU 31 HA LEU 31 -7.292 -1.276 4.798 268 HB2 LEU 31 2HB LEU 31 -4.529 -0.538 3.809 269 HB3 LEU 31 3HB LEU 31 -4.861 -1.307 5.349 270 HG LEU 31 HG LEU 31 -5.591 -2.555 2.703 271 HD11 LEU 31 1HD1 LEU 31 -3.182 -2.238 2.776 272 HD12 LEU 31 2HD1 LEU 31 -3.592 -3.942 2.972 273 HD13 LEU 31 3HD1 LEU 31 -3.118 -2.979 4.375 274 HD21 LEU 31 3HD2 LEU 31 -6.827 -3.372 4.645 275 HD22 LEU 31 1HD2 LEU 31 -5.305 -3.694 5.482 276 HD23 LEU 31 2HD2 LEU 31 -5.722 -4.600 4.025 277 H ALA 32 H ALA 32 -5.755 1.672 3.599 278 HA ALA 32 HA ALA 32 -5.587 2.968 6.106 279 HB1 ALA 32 3HB ALA 32 -5.718 4.191 3.357 280 HB2 ALA 32 1HB ALA 32 -4.256 3.636 4.171 281 HB3 ALA 32 2HB ALA 32 -5.173 4.991 4.832 282 H ARG 33 H ARG 33 -8.034 3.098 3.518 283 HA ARG 33 HA ARG 33 -9.723 4.913 4.860 284 HB2 ARG 33 2HB ARG 33 -10.111 2.984 2.609 285 HB3 ARG 33 3HB ARG 33 -11.489 3.833 3.294 286 HG2 ARG 33 2HG ARG 33 -9.025 5.189 2.233 287 HG3 ARG 33 3HG ARG 33 -10.509 4.946 1.315 288 HD2 ARG 33 2HD ARG 33 -11.754 6.249 2.961 289 HD3 ARG 33 3HD ARG 33 -10.294 6.447 3.926 290 HE ARG 33 HE ARG 33 -10.102 7.441 1.219 291 HH11 ARG 33 1HH1 ARG 33 -11.064 8.185 4.496 292 HH12 ARG 33 2HH1 ARG 33 -10.763 9.891 4.343 293 HH21 ARG 33 1HH2 ARG 33 -9.697 9.715 1.002 294 HH22 ARG 33 2HH2 ARG 33 -9.935 10.746 2.381 295 H GLN 34 H GLN 34 -9.201 1.520 5.267 296 HA GLN 34 HA GLN 34 -11.566 0.953 6.734 297 HB2 GLN 34 2HB GLN 34 -9.951 -0.769 5.847 298 HB3 GLN 34 3HB GLN 34 -8.837 -0.294 7.121 299 HG2 GLN 34 2HG GLN 34 -10.577 -0.913 8.788 300 HG3 GLN 34 3HG GLN 34 -11.559 -1.533 7.463 301 HE21 GLN 34 1HE2 GLN 34 -8.059 -1.795 7.674 302 HE22 GLN 34 2HE2 GLN 34 -8.021 -3.512 7.861 303 H ALA 35 H ALA 35 -8.361 2.133 7.590 304 HA ALA 35 HA ALA 35 -8.999 2.567 10.362 305 HB1 ALA 35 3HB ALA 35 -6.836 3.702 10.456 306 HB2 ALA 35 1HB ALA 35 -6.725 3.661 8.695 307 HB3 ALA 35 2HB ALA 35 -6.692 2.157 9.618 308 H GLU 36 H GLU 36 -9.817 4.075 7.514 309 HA GLU 36 HA GLU 36 -10.787 6.012 6.911 310 HB2 GLU 36 2HB GLU 36 -11.257 6.158 9.882 311 HB3 GLU 36 3HB GLU 36 -11.831 7.406 8.783 312 HG2 GLU 36 2HG GLU 36 -13.083 5.687 7.534 313 HG3 GLU 36 3HG GLU 36 -12.571 4.489 8.719 314 H GLN 37 H GLN 37 -7.994 5.885 7.248 315 HA GLN 37 HA GLN 37 -7.323 8.645 8.007 316 HB2 GLN 37 2HB GLN 37 -4.981 7.866 7.984 317 HB3 GLN 37 3HB GLN 37 -5.972 6.924 9.092 318 HG2 GLN 37 2HG GLN 37 -6.216 5.238 7.223 319 HG3 GLN 37 3HG GLN 37 -4.947 6.129 6.385 320 HE21 GLN 37 1HE2 GLN 37 -3.577 6.766 8.909 321 HE22 GLN 37 2HE2 GLN 37 -2.787 5.301 9.377 322 H ASP 38 H ASP 38 -6.258 10.003 6.523 323 HA ASP 38 HA ASP 38 -6.853 9.324 3.743 324 HB2 ASP 38 2HB ASP 38 -5.907 11.928 4.963 325 HB3 ASP 38 3HB ASP 38 -6.350 11.701 3.278 326 H ILE 39 H ILE 39 -4.309 9.001 5.794 327 HA ILE 39 HA ILE 39 -2.310 9.345 3.655 328 HB ILE 39 HB ILE 39 -1.853 9.560 6.640 329 HG12 ILE 39 2HG1 ILE 39 -1.816 11.787 4.596 330 HG13 ILE 39 3HG1 ILE 39 -3.198 11.437 5.627 331 HG21 ILE 39 1HG2 ILE 39 0.360 10.416 5.994 332 HG22 ILE 39 2HG2 ILE 39 -0.020 10.082 4.303 333 HG23 ILE 39 3HG2 ILE 39 0.101 8.756 5.460 334 HD11 ILE 39 3HD1 ILE 39 -1.878 13.269 6.506 335 HD12 ILE 39 1HD1 ILE 39 -0.456 12.231 6.568 336 HD13 ILE 39 2HD1 ILE 39 -1.847 11.885 7.597 337 H VAL 40 H VAL 40 -1.207 7.544 3.094 338 HA VAL 40 HA VAL 40 -1.654 5.144 4.714 339 HB VAL 40 HB VAL 40 -0.857 3.839 2.828 340 HG11 VAL 40 1HG1 VAL 40 -3.209 4.457 2.851 341 HG12 VAL 40 2HG1 VAL 40 -2.604 4.356 1.197 342 HG13 VAL 40 3HG1 VAL 40 -2.844 5.930 1.956 343 HG21 VAL 40 3HG2 VAL 40 -0.264 4.881 0.689 344 HG22 VAL 40 1HG2 VAL 40 0.854 5.336 1.976 345 HG23 VAL 40 2HG2 VAL 40 -0.385 6.474 1.442 346 H THR 41 H THR 41 -0.073 4.149 5.806 347 HA THR 41 HA THR 41 2.573 5.373 5.771 348 HB THR 41 HB THR 41 2.893 3.762 7.781 349 HG1 THR 41 HG1 THR 41 0.230 3.885 8.367 350 HG21 THR 41 3HG2 THR 41 2.673 6.204 7.965 351 HG22 THR 41 1HG2 THR 41 1.863 5.376 9.295 352 HG23 THR 41 2HG2 THR 41 0.918 6.041 7.965 353 HA PRO 42 HA PRO 42 4.693 2.289 3.511 354 HB2 PRO 42 2HB PRO 42 6.761 1.615 5.240 355 HB3 PRO 42 3HB PRO 42 6.757 2.997 4.141 356 HG2 PRO 42 2HG PRO 42 6.100 2.894 7.058 357 HG3 PRO 42 3HG PRO 42 7.011 4.119 6.152 358 HD2 PRO 42 2HD PRO 42 4.482 4.562 6.869 359 HD3 PRO 42 3HD PRO 42 5.082 5.090 5.281 360 H GLU 43 H GLU 43 3.964 1.471 6.855 361 HA GLU 43 HA GLU 43 4.449 -1.314 6.593 362 HB2 GLU 43 2HB GLU 43 2.714 0.102 8.620 363 HB3 GLU 43 3HB GLU 43 3.376 -1.520 8.761 364 HG2 GLU 43 2HG GLU 43 4.944 1.047 8.690 365 HG3 GLU 43 3HG GLU 43 4.647 0.037 10.103 366 H LEU 44 H LEU 44 1.650 0.736 6.052 367 HA LEU 44 HA LEU 44 -0.229 -1.378 5.747 368 HB2 LEU 44 2HB LEU 44 -0.147 1.513 5.092 369 HB3 LEU 44 3HB LEU 44 -1.279 0.534 4.177 370 HG LEU 44 HG LEU 44 -2.331 -0.198 6.282 371 HD11 LEU 44 1HD1 LEU 44 -0.455 -0.033 7.795 372 HD12 LEU 44 2HD1 LEU 44 -1.787 0.971 8.375 373 HD13 LEU 44 3HD1 LEU 44 -0.401 1.718 7.577 374 HD21 LEU 44 3HD2 LEU 44 -3.408 1.920 6.825 375 HD22 LEU 44 1HD2 LEU 44 -3.210 1.729 5.083 376 HD23 LEU 44 2HD2 LEU 44 -2.128 2.791 5.980 377 H VAL 45 H VAL 45 1.897 0.376 3.549 378 HA VAL 45 HA VAL 45 1.146 -0.929 1.163 379 HB VAL 45 HB VAL 45 3.897 0.110 1.887 380 HG11 VAL 45 1HG1 VAL 45 3.960 -1.299 -0.074 381 HG12 VAL 45 2HG1 VAL 45 4.166 0.385 -0.552 382 HG13 VAL 45 3HG1 VAL 45 2.614 -0.416 -0.791 383 HG21 VAL 45 3HG2 VAL 45 2.265 1.857 2.207 384 HG22 VAL 45 1HG2 VAL 45 1.553 1.529 0.627 385 HG23 VAL 45 2HG2 VAL 45 3.188 2.182 0.739 386 H GLU 46 H GLU 46 3.576 -1.672 3.606 387 HA GLU 46 HA GLU 46 4.668 -3.959 2.419 388 HB2 GLU 46 2HB GLU 46 5.556 -2.681 4.409 389 HB3 GLU 46 3HB GLU 46 4.333 -3.480 5.383 390 HG2 GLU 46 2HG GLU 46 6.451 -4.601 5.623 391 HG3 GLU 46 3HG GLU 46 5.305 -5.655 4.796 392 H GLN 47 H GLN 47 1.996 -3.597 4.745 393 HA GLN 47 HA GLN 47 1.433 -6.296 5.115 394 HB2 GLN 47 2HB GLN 47 0.153 -3.783 5.714 395 HB3 GLN 47 3HB GLN 47 -1.039 -4.983 5.233 396 HG2 GLN 47 2HG GLN 47 1.056 -5.617 7.273 397 HG3 GLN 47 3HG GLN 47 -0.423 -4.772 7.717 398 HE21 GLN 47 1HE2 GLN 47 -0.462 -7.162 5.180 399 HE22 GLN 47 2HE2 GLN 47 -1.311 -8.380 6.063 400 H ALA 48 H ALA 48 0.275 -4.098 2.583 401 HA ALA 48 HA ALA 48 -1.558 -5.868 1.399 402 HB1 ALA 48 3HB ALA 48 -1.411 -3.490 0.818 403 HB2 ALA 48 1HB ALA 48 -1.337 -4.522 -0.609 404 HB3 ALA 48 2HB ALA 48 0.135 -3.787 0.025 405 H ARG 49 H ARG 49 1.915 -5.439 0.937 406 HA ARG 49 HA ARG 49 2.110 -7.402 -1.142 407 HB2 ARG 49 2HB ARG 49 3.740 -5.613 -1.022 408 HB3 ARG 49 3HB ARG 49 4.212 -6.104 0.599 409 HG2 ARG 49 2HG ARG 49 5.153 -8.153 -0.240 410 HG3 ARG 49 3HG ARG 49 4.547 -7.803 -1.860 411 HD2 ARG 49 2HD ARG 49 6.980 -7.320 -1.507 412 HD3 ARG 49 3HD ARG 49 6.024 -5.972 -2.113 413 HE ARG 49 HE ARG 49 6.485 -6.117 0.774 414 HH11 ARG 49 1HH1 ARG 49 7.269 -4.676 -2.318 415 HH12 ARG 49 2HH1 ARG 49 8.012 -3.275 -1.621 416 HH21 ARG 49 1HH2 ARG 49 7.515 -4.304 1.694 417 HH22 ARG 49 2HH2 ARG 49 8.200 -3.086 0.655 418 H LEU 50 H LEU 50 2.216 -7.396 2.312 419 HA LEU 50 HA LEU 50 3.394 -9.926 2.730 420 HB2 LEU 50 2HB LEU 50 2.702 -7.933 4.355 421 HB3 LEU 50 3HB LEU 50 1.255 -8.898 4.545 422 HG LEU 50 HG LEU 50 2.901 -9.293 6.328 423 HD11 LEU 50 1HD1 LEU 50 2.917 -11.740 6.229 424 HD12 LEU 50 2HD1 LEU 50 2.452 -11.670 4.528 425 HD13 LEU 50 3HD1 LEU 50 1.350 -11.074 5.770 426 HD21 LEU 50 3HD2 LEU 50 4.932 -8.890 5.064 427 HD22 LEU 50 1HD2 LEU 50 4.638 -10.335 4.093 428 HD23 LEU 50 2HD2 LEU 50 4.983 -10.484 5.817 429 H GLU 51 H GLU 51 0.025 -8.865 2.403 430 HA GLU 51 HA GLU 51 -1.273 -11.299 2.691 431 HB2 GLU 51 2HB GLU 51 -2.007 -9.060 0.791 432 HB3 GLU 51 3HB GLU 51 -3.088 -10.327 1.353 433 HG2 GLU 51 2HG GLU 51 -1.800 -8.213 3.065 434 HG3 GLU 51 3HG GLU 51 -3.477 -8.236 2.527 435 H PHE 52 H PHE 52 -0.206 -9.776 -0.357 436 HA PHE 52 HA PHE 52 -0.775 -12.044 -1.955 437 HB2 PHE 52 2HB PHE 52 1.072 -9.701 -2.435 438 HB3 PHE 52 3HB PHE 52 0.703 -10.924 -3.649 439 HD1 PHE 52 HD1 PHE 52 -1.748 -11.243 -4.289 440 HD2 PHE 52 HD2 PHE 52 -0.302 -7.848 -2.175 441 HE1 PHE 52 HE1 PHE 52 -3.740 -9.975 -4.973 442 HE2 PHE 52 HE2 PHE 52 -2.293 -6.572 -2.849 443 HZ PHE 52 HZ PHE 52 -4.016 -7.635 -4.252 444 H GLY 53 H GLY 53 1.987 -11.107 -0.054 445 HA2 GLY 53 2HA GLY 53 3.799 -13.012 -1.187 446 HA3 GLY 53 3HA GLY 53 4.034 -12.102 0.296 447 H GLN 54 H GLN 54 1.167 -13.369 0.893 448 HA GLN 54 HA GLN 54 2.223 -15.971 1.777 449 HB2 GLN 54 2HB GLN 54 -0.194 -14.444 2.764 450 HB3 GLN 54 3HB GLN 54 0.332 -16.012 3.363 451 HG2 GLN 54 2HG GLN 54 1.853 -13.423 3.569 452 HG3 GLN 54 3HG GLN 54 1.003 -14.247 4.874 453 HE21 GLN 54 1HE2 GLN 54 3.810 -13.502 4.647 454 HE22 GLN 54 2HE2 GLN 54 4.715 -14.963 4.825 455 H LEU 55 H LEU 55 -0.528 -14.409 0.195 456 HA LEU 55 HA LEU 55 -2.050 -16.745 -0.202 457 HB2 LEU 55 2HB LEU 55 -2.065 -14.136 -1.714 458 HB3 LEU 55 3HB LEU 55 -3.278 -15.392 -1.884 459 HG LEU 55 HG LEU 55 -2.694 -13.871 0.658 460 HD11 LEU 55 1HD1 LEU 55 -3.723 -12.460 -1.044 461 HD12 LEU 55 2HD1 LEU 55 -4.851 -12.799 0.269 462 HD13 LEU 55 3HD1 LEU 55 -5.004 -13.652 -1.268 463 HD21 LEU 55 3HD2 LEU 55 -4.724 -14.939 1.501 464 HD22 LEU 55 1HD2 LEU 55 -3.496 -16.137 1.081 465 HD23 LEU 55 2HD2 LEU 55 -4.864 -15.862 0.002 466 H GLU 56 H GLU 56 0.296 -15.105 -2.319 467 HA GLU 56 HA GLU 56 -0.116 -17.018 -4.432 468 HB2 GLU 56 2HB GLU 56 0.558 -14.693 -4.929 469 HB3 GLU 56 3HB GLU 56 2.082 -14.965 -4.095 470 HG2 GLU 56 2HG GLU 56 2.660 -16.696 -5.732 471 HG3 GLU 56 3HG GLU 56 1.144 -16.390 -6.575 472 H HIS 57 H HIS 57 2.915 -16.144 -2.800 473 HA HIS 57 HA HIS 57 3.408 -18.966 -2.217 474 HB2 HIS 57 2HB HIS 57 5.245 -17.173 -3.805 475 HB3 HIS 57 3HB HIS 57 5.835 -18.589 -2.947 476 HD1 HIS 57 HD1 HIS 57 4.731 -20.927 -3.738 477 HD2 HIS 57 HD2 HIS 57 4.261 -17.680 -6.296 478 HE1 HIS 57 HE1 HIS 57 4.157 -21.906 -5.985 479 HE2 HIS 57 HE2 HIS 57 4.047 -19.932 -7.552 480 H HIS 58 H HIS 58 3.598 -18.984 -0.103 481 HA HIS 58 HA HIS 58 4.240 -17.013 1.672 482 HB2 HIS 58 2HB HIS 58 3.466 -19.148 2.448 483 HB3 HIS 58 3HB HIS 58 4.861 -19.972 1.769 484 HD1 HIS 58 HD1 HIS 58 3.908 -17.663 4.604 485 HD2 HIS 58 HD2 HIS 58 7.047 -20.136 3.446 486 HE1 HIS 58 HE1 HIS 58 5.424 -17.819 6.604 487 HE2 HIS 58 HE2 HIS 58 7.406 -19.162 5.816 488 H HIS 59 H HIS 59 5.993 -15.873 2.186 489 HA HIS 59 HA HIS 59 8.298 -15.828 0.654 490 HB2 HIS 59 2HB HIS 59 7.884 -14.888 3.497 491 HB3 HIS 59 3HB HIS 59 9.335 -14.554 2.564 492 HD1 HIS 59 HD1 HIS 59 6.754 -12.709 3.670 493 HD2 HIS 59 HD2 HIS 59 8.099 -13.454 -0.187 494 HE1 HIS 59 HE1 HIS 59 5.892 -10.805 2.278 495 HE2 HIS 59 HE2 HIS 59 6.991 -11.126 0.032 496 H HIS 60 H HIS 60 9.626 -17.478 0.364 497 HA HIS 60 HA HIS 60 10.440 -19.000 2.742 498 HB2 HIS 60 2HB HIS 60 11.027 -20.838 1.083 499 HB3 HIS 60 3HB HIS 60 9.322 -20.535 1.369 500 HD1 HIS 60 HD1 HIS 60 8.020 -19.271 -0.575 501 HD2 HIS 60 HD2 HIS 60 11.839 -20.608 -1.535 502 HE1 HIS 60 HE1 HIS 60 8.123 -19.284 -3.089 503 HE2 HIS 60 HE2 HIS 60 10.364 -20.296 -3.637 504 H HIS 61 H HIS 61 11.973 -17.398 3.162 505 HA HIS 61 HA HIS 61 14.312 -17.370 1.404 506 HB2 HIS 61 2HB HIS 61 13.446 -15.182 2.172 507 HB3 HIS 61 3HB HIS 61 13.679 -15.683 3.841 508 HD1 HIS 61 HD1 HIS 61 15.549 -14.554 0.801 509 HD2 HIS 61 HD2 HIS 61 16.323 -15.549 4.770 510 HE1 HIS 61 HE1 HIS 61 17.915 -13.799 1.248 511 HE2 HIS 61 HE2 HIS 61 18.367 -14.412 3.653 512 H HIS 62 H HIS 62 16.022 -18.569 1.873 513 HA HIS 62 HA HIS 62 16.098 -20.178 4.235 514 HB2 HIS 62 2HB HIS 62 18.147 -19.721 2.058 515 HB3 HIS 62 3HB HIS 62 18.353 -20.871 3.377 516 HD1 HIS 62 HD1 HIS 62 17.344 -20.805 -0.007 517 HD2 HIS 62 HD2 HIS 62 15.938 -22.725 3.397 518 HE1 HIS 62 HE1 HIS 62 15.924 -22.699 -0.844 519 HE2 HIS 62 HE2 HIS 62 14.913 -23.708 1.236 Start of MODEL 3 1 H1 MET 1 1H MET 1 -9.266 8.627 -8.344 2 H2 MET 1 2H MET 1 -10.932 8.680 -8.032 3 H3 MET 1 3H MET 1 -10.092 7.211 -7.909 4 HA MET 1 HA MET 1 -9.823 9.586 -6.161 5 HB2 MET 1 2HB MET 1 -10.773 6.756 -5.668 6 HB3 MET 1 3HB MET 1 -10.464 7.927 -4.393 7 HG2 MET 1 2HG MET 1 -12.496 8.226 -6.593 8 HG3 MET 1 3HG MET 1 -12.841 7.739 -4.936 9 HE1 MET 1 3HE MET 1 -14.358 11.338 -5.095 10 HE2 MET 1 1HE MET 1 -14.657 9.643 -4.702 11 HE3 MET 1 2HE MET 1 -14.353 10.123 -6.373 12 H ASN 2 H ASN 2 -8.115 9.660 -4.785 13 HA ASN 2 HA ASN 2 -6.279 7.410 -4.623 14 HB2 ASN 2 2HB ASN 2 -4.326 8.629 -5.315 15 HB3 ASN 2 3HB ASN 2 -5.522 8.792 -6.594 16 HD21 ASN 2 1HD2 ASN 2 -6.550 10.801 -6.889 17 HD22 ASN 2 2HD2 ASN 2 -5.872 12.260 -6.261 18 H LEU 3 H LEU 3 -5.004 7.464 -2.758 19 HA LEU 3 HA LEU 3 -5.814 9.509 -0.819 20 HB2 LEU 3 2HB LEU 3 -4.504 6.819 -0.443 21 HB3 LEU 3 3HB LEU 3 -4.758 7.963 0.858 22 HG LEU 3 HG LEU 3 -6.880 6.548 -0.749 23 HD11 LEU 3 1HD1 LEU 3 -7.477 5.578 1.407 24 HD12 LEU 3 2HD1 LEU 3 -6.150 6.452 2.172 25 HD13 LEU 3 3HD1 LEU 3 -5.809 5.200 0.977 26 HD21 LEU 3 3HD2 LEU 3 -7.588 8.834 -0.310 27 HD22 LEU 3 1HD2 LEU 3 -7.190 8.643 1.397 28 HD23 LEU 3 2HD2 LEU 3 -8.498 7.698 0.685 29 H ARG 4 H ARG 4 -3.961 9.890 0.866 30 HA ARG 4 HA ARG 4 -1.814 11.082 -0.678 31 HB2 ARG 4 2HB ARG 4 -2.590 11.301 2.235 32 HB3 ARG 4 3HB ARG 4 -1.197 12.116 1.534 33 HG2 ARG 4 2HG ARG 4 -2.666 13.304 -0.013 34 HG3 ARG 4 3HG ARG 4 -4.061 12.490 0.695 35 HD2 ARG 4 2HD ARG 4 -3.684 13.564 2.807 36 HD3 ARG 4 3HD ARG 4 -2.163 14.257 2.233 37 HE ARG 4 HE ARG 4 -3.955 15.233 0.469 38 HH11 ARG 4 1HH1 ARG 4 -4.017 15.125 3.974 39 HH12 ARG 4 2HH1 ARG 4 -4.833 16.655 4.129 40 HH21 ARG 4 1HH2 ARG 4 -5.055 17.207 0.663 41 HH22 ARG 4 2HH2 ARG 4 -5.455 17.822 2.246 42 H TRP 5 H TRP 5 -0.083 9.980 -1.104 43 HA TRP 5 HA TRP 5 0.676 7.742 0.602 44 HB2 TRP 5 2HB TRP 5 1.496 8.576 -2.175 45 HB3 TRP 5 3HB TRP 5 2.315 7.290 -1.294 46 HD1 TRP 5 HD1 TRP 5 -1.306 8.109 -2.471 47 HE1 TRP 5 HE1 TRP 5 -2.470 5.878 -3.041 48 HE3 TRP 5 HE3 TRP 5 2.445 4.896 -1.155 49 HZ2 TRP 5 HZ2 TRP 5 -1.847 3.125 -2.962 50 HZ3 TRP 5 HZ3 TRP 5 2.080 2.478 -1.428 51 HH2 TRP 5 HH2 TRP 5 -0.027 1.615 -2.309 52 H THR 6 H THR 6 2.214 7.915 2.057 53 HA THR 6 HA THR 6 3.840 10.226 2.349 54 HB THR 6 HB THR 6 5.041 8.857 4.082 55 HG1 THR 6 HG1 THR 6 3.103 6.865 3.923 56 HG21 THR 6 3HG2 THR 6 3.105 8.633 5.597 57 HG22 THR 6 1HG2 THR 6 2.026 8.875 4.226 58 HG23 THR 6 2HG2 THR 6 3.110 10.171 4.734 59 H SER 7 H SER 7 6.221 10.232 2.290 60 HA SER 7 HA SER 7 7.263 9.378 -0.149 61 HB2 SER 7 2HB SER 7 9.509 9.770 1.279 62 HB3 SER 7 3HB SER 7 8.506 11.101 0.695 63 HG SER 7 HG SER 7 8.715 10.013 3.293 64 H GLU 8 H GLU 8 7.327 7.870 3.015 65 HA GLU 8 HA GLU 8 9.086 5.749 2.313 66 HB2 GLU 8 2HB GLU 8 7.034 5.901 4.531 67 HB3 GLU 8 3HB GLU 8 8.292 4.684 4.396 68 HG2 GLU 8 2HG GLU 8 9.032 6.248 5.997 69 HG3 GLU 8 3HG GLU 8 9.968 6.552 4.535 70 H ALA 9 H ALA 9 5.569 6.113 2.433 71 HA ALA 9 HA ALA 9 4.874 3.468 1.823 72 HB1 ALA 9 3HB ALA 9 2.702 4.327 1.217 73 HB2 ALA 9 1HB ALA 9 3.355 5.960 1.071 74 HB3 ALA 9 2HB ALA 9 3.295 5.172 2.647 75 H LYS 10 H LYS 10 5.366 6.260 -0.324 76 HA LYS 10 HA LYS 10 4.836 4.966 -2.746 77 HB2 LYS 10 2HB LYS 10 6.717 7.260 -2.161 78 HB3 LYS 10 3HB LYS 10 6.181 6.788 -3.769 79 HG2 LYS 10 2HG LYS 10 3.952 7.398 -3.320 80 HG3 LYS 10 3HG LYS 10 4.258 7.522 -1.588 81 HD2 LYS 10 2HD LYS 10 4.117 9.733 -2.462 82 HD3 LYS 10 3HD LYS 10 5.807 9.416 -2.075 83 HE2 LYS 10 2HE LYS 10 6.291 8.996 -4.410 84 HE3 LYS 10 3HE LYS 10 4.588 9.198 -4.824 85 HZ1 LYS 10 3HZ LYS 10 4.722 11.498 -4.071 86 HZ2 LYS 10 1HZ LYS 10 5.846 11.198 -5.307 87 HZ3 LYS 10 2HZ LYS 10 6.364 11.297 -3.698 88 H THR 11 H THR 11 7.816 5.202 -0.872 89 HA THR 11 HA THR 11 9.509 3.912 -2.723 90 HB THR 11 HB THR 11 9.735 3.975 0.295 91 HG1 THR 11 HG1 THR 11 9.769 6.078 -0.355 92 HG21 THR 11 3HG2 THR 11 12.134 3.648 -0.102 93 HG22 THR 11 1HG2 THR 11 11.832 3.513 -1.834 94 HG23 THR 11 2HG2 THR 11 11.192 2.293 -0.731 95 H LYS 12 H LYS 12 7.549 2.703 -0.034 96 HA LYS 12 HA LYS 12 8.298 -0.014 -0.269 97 HB2 LYS 12 2HB LYS 12 5.833 1.305 0.877 98 HB3 LYS 12 3HB LYS 12 6.145 -0.419 0.991 99 HG2 LYS 12 2HG LYS 12 8.047 1.655 2.047 100 HG3 LYS 12 3HG LYS 12 6.739 0.960 3.009 101 HD2 LYS 12 2HD LYS 12 7.675 -1.290 2.582 102 HD3 LYS 12 3HD LYS 12 9.020 -0.540 1.722 103 HE2 LYS 12 2HE LYS 12 9.754 0.570 3.716 104 HE3 LYS 12 3HE LYS 12 8.315 0.049 4.592 105 HZ1 LYS 12 3HZ LYS 12 10.268 -1.301 5.126 106 HZ2 LYS 12 1HZ LYS 12 10.398 -1.768 3.501 107 HZ3 LYS 12 2HZ LYS 12 9.042 -2.228 4.411 108 H LEU 13 H LEU 13 5.855 1.951 -1.839 109 HA LEU 13 HA LEU 13 4.359 -0.123 -3.018 110 HB2 LEU 13 2HB LEU 13 3.653 2.269 -2.851 111 HB3 LEU 13 3HB LEU 13 4.819 2.664 -4.100 112 HG LEU 13 HG LEU 13 3.593 1.236 -5.690 113 HD11 LEU 13 1HD1 LEU 13 1.386 0.364 -5.105 114 HD12 LEU 13 2HD1 LEU 13 1.611 0.905 -3.442 115 HD13 LEU 13 3HD1 LEU 13 2.646 -0.359 -4.104 116 HD21 LEU 13 3HD2 LEU 13 1.888 3.307 -4.305 117 HD22 LEU 13 1HD2 LEU 13 1.621 2.676 -5.932 118 HD23 LEU 13 2HD2 LEU 13 3.075 3.613 -5.577 119 H LYS 14 H LYS 14 7.301 1.529 -3.975 120 HA LYS 14 HA LYS 14 7.482 0.489 -6.601 121 HB2 LYS 14 2HB LYS 14 9.684 1.380 -4.731 122 HB3 LYS 14 3HB LYS 14 9.859 1.123 -6.461 123 HG2 LYS 14 2HG LYS 14 8.344 2.934 -6.932 124 HG3 LYS 14 3HG LYS 14 8.011 3.146 -5.212 125 HD2 LYS 14 2HD LYS 14 10.397 3.691 -4.860 126 HD3 LYS 14 3HD LYS 14 10.658 3.567 -6.599 127 HE2 LYS 14 2HE LYS 14 9.103 5.388 -6.988 128 HE3 LYS 14 3HE LYS 14 8.742 5.477 -5.264 129 HZ1 LYS 14 3HZ LYS 14 11.384 6.013 -6.524 130 HZ2 LYS 14 1HZ LYS 14 11.059 6.067 -4.858 131 HZ3 LYS 14 2HZ LYS 14 10.317 7.178 -5.904 132 H ASN 15 H ASN 15 8.025 -0.917 -3.516 133 HA ASN 15 HA ASN 15 9.857 -2.948 -4.408 134 HB2 ASN 15 2HB ASN 15 8.200 -2.838 -1.875 135 HB3 ASN 15 3HB ASN 15 9.533 -3.945 -2.189 136 HD21 ASN 15 1HD2 ASN 15 9.239 -2.056 -0.047 137 HD22 ASN 15 2HD2 ASN 15 10.586 -0.969 -0.156 138 H ILE 16 H ILE 16 6.555 -2.440 -4.694 139 HA ILE 16 HA ILE 16 5.832 -5.260 -4.745 140 HB ILE 16 HB ILE 16 4.114 -2.862 -5.414 141 HG12 ILE 16 2HG1 ILE 16 4.498 -4.312 -2.786 142 HG13 ILE 16 3HG1 ILE 16 4.978 -2.657 -3.146 143 HG21 ILE 16 1HG2 ILE 16 3.390 -5.698 -4.674 144 HG22 ILE 16 2HG2 ILE 16 3.233 -4.966 -6.270 145 HG23 ILE 16 3HG2 ILE 16 2.244 -4.383 -4.933 146 HD11 ILE 16 3HD1 ILE 16 2.967 -2.692 -1.819 147 HD12 ILE 16 1HD1 ILE 16 2.165 -3.709 -3.018 148 HD13 ILE 16 2HD1 ILE 16 2.623 -2.054 -3.428 149 HA PRO 17 HA PRO 17 6.774 -5.962 -9.054 150 HB2 PRO 17 2HB PRO 17 4.203 -7.482 -8.856 151 HB3 PRO 17 3HB PRO 17 5.749 -7.976 -9.559 152 HG2 PRO 17 2HG PRO 17 5.003 -8.857 -7.160 153 HG3 PRO 17 3HG PRO 17 6.694 -8.436 -7.495 154 HD2 PRO 17 2HD PRO 17 4.658 -6.976 -5.899 155 HD3 PRO 17 3HD PRO 17 6.421 -7.025 -5.714 156 H PHE 18 H PHE 18 6.217 -4.990 -10.928 157 HA PHE 18 HA PHE 18 4.672 -2.705 -10.847 158 HB2 PHE 18 2HB PHE 18 6.411 -2.994 -12.488 159 HB3 PHE 18 3HB PHE 18 5.544 -4.331 -13.238 160 HD1 PHE 18 HD2 PHE 18 5.240 -0.702 -12.483 161 HD2 PHE 18 HD1 PHE 18 4.121 -3.928 -15.023 162 HE1 PHE 18 HE2 PHE 18 4.124 0.881 -13.999 163 HE2 PHE 18 HE1 PHE 18 3.008 -2.349 -16.543 164 HZ PHE 18 HZ PHE 18 3.008 0.059 -16.030 165 H PHE 19 H PHE 19 3.736 -5.853 -12.222 166 HA PHE 19 HA PHE 19 1.267 -4.894 -13.262 167 HB2 PHE 19 2HB PHE 19 2.159 -7.730 -12.723 168 HB3 PHE 19 3HB PHE 19 0.756 -7.268 -13.682 169 HD1 PHE 19 HD1 PHE 19 1.284 -5.593 -15.648 170 HD2 PHE 19 HD2 PHE 19 4.134 -8.157 -13.806 171 HE1 PHE 19 HE1 PHE 19 2.701 -5.449 -17.655 172 HE2 PHE 19 HE2 PHE 19 5.555 -8.019 -15.806 173 HZ PHE 19 HZ PHE 19 4.841 -6.663 -17.735 174 H ALA 20 H ALA 20 2.216 -6.203 -10.179 175 HA ALA 20 HA ALA 20 -0.583 -6.538 -9.384 176 HB1 ALA 20 3HB ALA 20 1.945 -7.237 -7.893 177 HB2 ALA 20 1HB ALA 20 0.971 -8.353 -8.850 178 HB3 ALA 20 2HB ALA 20 0.300 -7.626 -7.391 179 H ARG 21 H ARG 21 1.702 -4.154 -9.424 180 HA ARG 21 HA ARG 21 1.586 -3.097 -6.817 181 HB2 ARG 21 2HB ARG 21 3.336 -2.578 -8.516 182 HB3 ARG 21 3HB ARG 21 2.155 -1.608 -9.385 183 HG2 ARG 21 2HG ARG 21 1.958 -0.100 -7.508 184 HG3 ARG 21 3HG ARG 21 3.052 -1.107 -6.557 185 HD2 ARG 21 2HD ARG 21 3.733 0.386 -9.086 186 HD3 ARG 21 3HD ARG 21 4.234 0.808 -7.448 187 HE ARG 21 HE ARG 21 5.117 -1.765 -7.858 188 HH11 ARG 21 1HH1 ARG 21 5.649 1.367 -9.342 189 HH12 ARG 21 2HH1 ARG 21 7.259 0.972 -9.882 190 HH21 ARG 21 1HH2 ARG 21 7.209 -2.278 -8.551 191 HH22 ARG 21 2HH2 ARG 21 8.160 -1.095 -9.405 192 H SER 22 H SER 22 -0.274 -2.376 -9.747 193 HA SER 22 HA SER 22 -1.764 -0.241 -8.657 194 HB2 SER 22 2HB SER 22 -1.559 -0.762 -11.102 195 HB3 SER 22 3HB SER 22 -2.609 -2.154 -10.855 196 HG SER 22 HG SER 22 -4.305 -0.880 -10.654 197 H GLN 23 H GLN 23 -2.183 -3.712 -8.658 198 HA GLN 23 HA GLN 23 -4.833 -3.724 -7.602 199 HB2 GLN 23 2HB GLN 23 -3.981 -5.580 -8.913 200 HB3 GLN 23 3HB GLN 23 -2.690 -5.849 -7.753 201 HG2 GLN 23 2HG GLN 23 -4.233 -6.608 -6.107 202 HG3 GLN 23 3HG GLN 23 -5.610 -6.141 -7.105 203 HE21 GLN 23 1HE2 GLN 23 -2.991 -8.412 -6.724 204 HE22 GLN 23 2HE2 GLN 23 -3.601 -9.609 -7.819 205 H ALA 24 H ALA 24 -1.595 -4.182 -6.224 206 HA ALA 24 HA ALA 24 -2.428 -4.548 -3.554 207 HB1 ALA 24 3HB ALA 24 -0.170 -5.096 -4.346 208 HB2 ALA 24 1HB ALA 24 -0.137 -4.026 -2.945 209 HB3 ALA 24 2HB ALA 24 0.163 -3.377 -4.556 210 H LYS 25 H LYS 25 -1.557 -1.653 -5.401 211 HA LYS 25 HA LYS 25 -1.678 0.269 -3.423 212 HB2 LYS 25 2HB LYS 25 -0.974 0.811 -5.678 213 HB3 LYS 25 3HB LYS 25 -2.577 0.446 -6.304 214 HG2 LYS 25 2HG LYS 25 -3.495 2.316 -5.023 215 HG3 LYS 25 3HG LYS 25 -1.881 2.690 -4.423 216 HD2 LYS 25 2HD LYS 25 -1.133 3.078 -6.732 217 HD3 LYS 25 3HD LYS 25 -2.767 2.738 -7.307 218 HE2 LYS 25 2HE LYS 25 -1.986 4.961 -5.426 219 HE3 LYS 25 3HE LYS 25 -2.323 5.144 -7.143 220 HZ1 LYS 25 3HZ LYS 25 -4.435 5.457 -6.579 221 HZ2 LYS 25 1HZ LYS 25 -4.133 5.052 -4.958 222 HZ3 LYS 25 2HZ LYS 25 -4.513 3.840 -6.080 223 H ALA 26 H ALA 26 -4.331 -1.089 -5.341 224 HA ALA 26 HA ALA 26 -6.425 0.438 -4.330 225 HB1 ALA 26 3HB ALA 26 -6.640 -1.095 -6.246 226 HB2 ALA 26 1HB ALA 26 -7.896 -1.362 -5.039 227 HB3 ALA 26 2HB ALA 26 -6.526 -2.466 -5.144 228 H ARG 27 H ARG 27 -5.077 -2.635 -3.132 229 HA ARG 27 HA ARG 27 -6.834 -2.811 -0.907 230 HB2 ARG 27 2HB ARG 27 -4.219 -4.127 -1.561 231 HB3 ARG 27 3HB ARG 27 -5.007 -4.389 -0.012 232 HG2 ARG 27 2HG ARG 27 -7.074 -5.002 -1.416 233 HG3 ARG 27 3HG ARG 27 -5.926 -5.156 -2.746 234 HD2 ARG 27 2HD ARG 27 -6.364 -7.299 -1.627 235 HD3 ARG 27 3HD ARG 27 -4.672 -6.816 -1.519 236 HE ARG 27 HE ARG 27 -4.873 -6.723 0.757 237 HH11 ARG 27 1HH1 ARG 27 -8.112 -6.644 -0.631 238 HH12 ARG 27 2HH1 ARG 27 -8.898 -6.835 0.906 239 HH21 ARG 27 1HH2 ARG 27 -5.898 -6.997 2.740 240 HH22 ARG 27 2HH2 ARG 27 -7.642 -7.015 2.838 241 H ILE 28 H ILE 28 -3.551 -1.503 -1.246 242 HA ILE 28 HA ILE 28 -3.001 -0.999 1.439 243 HB ILE 28 HB ILE 28 -2.148 0.640 -0.955 244 HG12 ILE 28 2HG1 ILE 28 -0.595 -1.498 0.501 245 HG13 ILE 28 3HG1 ILE 28 -1.585 -1.843 -0.913 246 HG21 ILE 28 1HG2 ILE 28 -0.275 1.350 0.485 247 HG22 ILE 28 2HG2 ILE 28 -1.028 0.516 1.848 248 HG23 ILE 28 3HG2 ILE 28 -1.839 1.891 1.094 249 HD11 ILE 28 3HD1 ILE 28 0.816 -1.541 -1.416 250 HD12 ILE 28 1HD1 ILE 28 0.680 0.134 -0.876 251 HD13 ILE 28 2HD1 ILE 28 -0.234 -0.419 -2.279 252 H GLU 29 H GLU 29 -4.577 1.112 -0.959 253 HA GLU 29 HA GLU 29 -4.968 3.246 0.851 254 HB2 GLU 29 2HB GLU 29 -6.362 2.565 -1.735 255 HB3 GLU 29 3HB GLU 29 -6.691 4.029 -0.816 256 HG2 GLU 29 2HG GLU 29 -4.237 4.555 -0.993 257 HG3 GLU 29 3HG GLU 29 -4.118 3.223 -2.141 258 H GLN 30 H GLN 30 -6.953 0.462 -0.024 259 HA GLN 30 HA GLN 30 -9.257 1.187 1.423 260 HB2 GLN 30 2HB GLN 30 -8.139 -1.540 0.753 261 HB3 GLN 30 3HB GLN 30 -9.717 -1.285 1.483 262 HG2 GLN 30 2HG GLN 30 -10.440 -0.030 -0.465 263 HG3 GLN 30 3HG GLN 30 -8.845 -0.213 -1.190 264 HE21 GLN 30 1HE2 GLN 30 -9.622 -1.287 -2.983 265 HE22 GLN 30 2HE2 GLN 30 -10.220 -2.907 -2.917 266 H LEU 31 H LEU 31 -6.256 -0.375 2.392 267 HA LEU 31 HA LEU 31 -7.028 -1.092 5.006 268 HB2 LEU 31 2HB LEU 31 -4.301 -0.372 3.928 269 HB3 LEU 31 3HB LEU 31 -4.595 -1.127 5.483 270 HG LEU 31 HG LEU 31 -5.276 -2.364 2.810 271 HD11 LEU 31 1HD1 LEU 31 -2.863 -2.188 3.127 272 HD12 LEU 31 2HD1 LEU 31 -3.400 -3.862 3.236 273 HD13 LEU 31 3HD1 LEU 31 -3.005 -2.969 4.702 274 HD21 LEU 31 3HD2 LEU 31 -5.352 -3.494 5.608 275 HD22 LEU 31 1HD2 LEU 31 -5.640 -4.403 4.124 276 HD23 LEU 31 2HD2 LEU 31 -6.746 -3.115 4.596 277 H ALA 32 H ALA 32 -5.664 1.886 3.671 278 HA ALA 32 HA ALA 32 -5.410 3.204 6.187 279 HB1 ALA 32 3HB ALA 32 -4.124 3.865 4.198 280 HB2 ALA 32 1HB ALA 32 -5.014 5.216 4.901 281 HB3 ALA 32 2HB ALA 32 -5.614 4.429 3.440 282 H ARG 33 H ARG 33 -7.874 3.154 3.656 283 HA ARG 33 HA ARG 33 -9.639 5.019 4.821 284 HB2 ARG 33 2HB ARG 33 -10.303 2.644 3.066 285 HB3 ARG 33 3HB ARG 33 -11.356 4.018 3.381 286 HG2 ARG 33 2HG ARG 33 -9.876 5.500 2.225 287 HG3 ARG 33 3HG ARG 33 -8.660 4.233 2.064 288 HD2 ARG 33 2HD ARG 33 -10.440 2.938 0.768 289 HD3 ARG 33 3HD ARG 33 -11.321 4.465 0.697 290 HE ARG 33 HE ARG 33 -8.614 4.721 -0.189 291 HH11 ARG 33 1HH1 ARG 33 -11.857 3.831 -1.146 292 HH12 ARG 33 2HH1 ARG 33 -11.543 4.011 -2.850 293 HH21 ARG 33 1HH2 ARG 33 -8.197 5.014 -2.439 294 HH22 ARG 33 2HH2 ARG 33 -9.481 4.724 -3.580 295 H GLN 34 H GLN 34 -9.104 1.601 5.306 296 HA GLN 34 HA GLN 34 -11.280 1.076 7.020 297 HB2 GLN 34 2HB GLN 34 -9.878 -0.670 5.962 298 HB3 GLN 34 3HB GLN 34 -8.537 -0.192 6.991 299 HG2 GLN 34 2HG GLN 34 -9.879 -0.806 8.967 300 HG3 GLN 34 3HG GLN 34 -11.153 -1.374 7.888 301 HE21 GLN 34 1HE2 GLN 34 -9.142 -2.353 5.945 302 HE22 GLN 34 2HE2 GLN 34 -8.551 -3.837 6.618 303 H ALA 35 H ALA 35 -8.062 2.368 7.543 304 HA ALA 35 HA ALA 35 -8.342 2.443 10.414 305 HB1 ALA 35 3HB ALA 35 -6.147 2.075 9.427 306 HB2 ALA 35 1HB ALA 35 -6.159 3.555 10.388 307 HB3 ALA 35 2HB ALA 35 -6.230 3.646 8.627 308 H GLU 36 H GLU 36 -9.505 4.289 7.916 309 HA GLU 36 HA GLU 36 -10.772 6.163 7.882 310 HB2 GLU 36 2HB GLU 36 -10.326 6.086 10.859 311 HB3 GLU 36 3HB GLU 36 -11.309 7.312 10.065 312 HG2 GLU 36 2HG GLU 36 -11.784 4.352 9.885 313 HG3 GLU 36 3HG GLU 36 -12.624 5.442 10.991 314 H GLN 37 H GLN 37 -8.120 6.313 7.197 315 HA GLN 37 HA GLN 37 -7.686 9.159 7.724 316 HB2 GLN 37 2HB GLN 37 -5.257 8.827 7.866 317 HB3 GLN 37 3HB GLN 37 -6.101 7.999 9.164 318 HG2 GLN 37 2HG GLN 37 -5.899 5.890 7.873 319 HG3 GLN 37 3HG GLN 37 -4.928 6.762 6.688 320 HE21 GLN 37 1HE2 GLN 37 -4.200 4.507 8.377 321 HE22 GLN 37 2HE2 GLN 37 -2.842 5.022 9.317 322 H ASP 38 H ASP 38 -6.488 10.240 6.040 323 HA ASP 38 HA ASP 38 -7.058 9.034 3.437 324 HB2 ASP 38 2HB ASP 38 -6.395 11.849 4.295 325 HB3 ASP 38 3HB ASP 38 -6.456 11.375 2.602 326 H ILE 39 H ILE 39 -4.556 9.061 5.499 327 HA ILE 39 HA ILE 39 -2.508 9.292 3.400 328 HB ILE 39 HB ILE 39 -2.172 9.494 6.402 329 HG12 ILE 39 2HG1 ILE 39 -2.017 11.662 4.301 330 HG13 ILE 39 3HG1 ILE 39 -3.394 11.398 5.365 331 HG21 ILE 39 1HG2 ILE 39 -0.189 8.603 5.310 332 HG22 ILE 39 2HG2 ILE 39 0.102 10.244 5.881 333 HG23 ILE 39 3HG2 ILE 39 -0.193 9.948 4.169 334 HD11 ILE 39 3HD1 ILE 39 -0.609 12.145 6.222 335 HD12 ILE 39 1HD1 ILE 39 -1.978 11.862 7.298 336 HD13 ILE 39 2HD1 ILE 39 -2.013 13.213 6.164 337 H VAL 40 H VAL 40 -1.374 7.501 2.863 338 HA VAL 40 HA VAL 40 -1.814 5.084 4.467 339 HB VAL 40 HB VAL 40 -0.927 3.800 2.619 340 HG11 VAL 40 1HG1 VAL 40 -3.277 4.335 2.510 341 HG12 VAL 40 2HG1 VAL 40 -2.591 4.327 0.884 342 HG13 VAL 40 3HG1 VAL 40 -2.924 5.858 1.695 343 HG21 VAL 40 3HG2 VAL 40 0.798 5.323 1.854 344 HG22 VAL 40 1HG2 VAL 40 -0.429 6.440 1.255 345 HG23 VAL 40 2HG2 VAL 40 -0.249 4.849 0.515 346 H THR 41 H THR 41 -0.199 4.030 5.502 347 HA THR 41 HA THR 41 2.353 5.449 5.657 348 HB THR 41 HB THR 41 2.536 3.893 7.765 349 HG1 THR 41 HG1 THR 41 0.792 2.669 7.790 350 HG21 THR 41 3HG2 THR 41 1.421 5.618 9.111 351 HG22 THR 41 1HG2 THR 41 0.659 6.260 7.656 352 HG23 THR 41 2HG2 THR 41 2.412 6.335 7.840 353 HA PRO 42 HA PRO 42 4.730 2.512 3.609 354 HB2 PRO 42 2HB PRO 42 6.756 1.913 5.400 355 HB3 PRO 42 3HB PRO 42 6.703 3.338 4.357 356 HG2 PRO 42 2HG PRO 42 5.918 3.065 7.232 357 HG3 PRO 42 3HG PRO 42 6.799 4.378 6.428 358 HD2 PRO 42 2HD PRO 42 4.215 4.638 7.029 359 HD3 PRO 42 3HD PRO 42 4.860 5.273 5.499 360 H GLU 43 H GLU 43 4.011 1.444 6.937 361 HA GLU 43 HA GLU 43 4.726 -1.268 6.299 362 HB2 GLU 43 2HB GLU 43 4.222 -1.844 8.536 363 HB3 GLU 43 3HB GLU 43 4.996 -0.270 8.587 364 HG2 GLU 43 2HG GLU 43 2.040 -0.754 8.781 365 HG3 GLU 43 3HG GLU 43 3.122 -0.462 10.141 366 H LEU 44 H LEU 44 1.794 0.634 6.267 367 HA LEU 44 HA LEU 44 0.014 -1.566 5.952 368 HB2 LEU 44 2HB LEU 44 -0.119 1.352 5.564 369 HB3 LEU 44 3HB LEU 44 -1.164 0.427 4.504 370 HG LEU 44 HG LEU 44 -2.150 -0.665 6.512 371 HD11 LEU 44 1HD1 LEU 44 -1.794 0.350 8.700 372 HD12 LEU 44 2HD1 LEU 44 -0.557 1.402 8.012 373 HD13 LEU 44 3HD1 LEU 44 -0.305 -0.344 8.060 374 HD21 LEU 44 3HD2 LEU 44 -3.495 1.274 7.188 375 HD22 LEU 44 1HD2 LEU 44 -3.282 1.186 5.440 376 HD23 LEU 44 2HD2 LEU 44 -2.339 2.341 6.384 377 H VAL 45 H VAL 45 1.988 0.328 3.780 378 HA VAL 45 HA VAL 45 1.025 -0.642 1.336 379 HB VAL 45 HB VAL 45 3.822 0.271 2.029 380 HG11 VAL 45 1HG1 VAL 45 3.757 -1.032 -0.051 381 HG12 VAL 45 2HG1 VAL 45 4.113 0.667 -0.353 382 HG13 VAL 45 3HG1 VAL 45 2.500 0.033 -0.673 383 HG21 VAL 45 3HG2 VAL 45 2.115 1.947 2.499 384 HG22 VAL 45 1HG2 VAL 45 1.485 1.776 0.858 385 HG23 VAL 45 2HG2 VAL 45 3.106 2.422 1.120 386 H GLU 46 H GLU 46 3.774 -1.783 3.316 387 HA GLU 46 HA GLU 46 4.257 -3.965 1.532 388 HB2 GLU 46 2HB GLU 46 6.008 -4.620 2.945 389 HB3 GLU 46 3HB GLU 46 5.992 -2.866 3.037 390 HG2 GLU 46 2HG GLU 46 4.888 -2.952 5.179 391 HG3 GLU 46 3HG GLU 46 4.756 -4.712 5.069 392 H GLN 47 H GLN 47 2.199 -3.459 4.274 393 HA GLN 47 HA GLN 47 1.854 -6.144 5.053 394 HB2 GLN 47 2HB GLN 47 0.826 -3.715 5.869 395 HB3 GLN 47 3HB GLN 47 -0.580 -4.527 5.192 396 HG2 GLN 47 2HG GLN 47 1.175 -5.442 7.450 397 HG3 GLN 47 3HG GLN 47 -0.539 -5.027 7.499 398 HE21 GLN 47 1HE2 GLN 47 -2.035 -6.467 6.615 399 HE22 GLN 47 2HE2 GLN 47 -1.663 -8.136 6.381 400 H ALA 48 H ALA 48 0.192 -4.145 2.643 401 HA ALA 48 HA ALA 48 -1.546 -6.163 1.702 402 HB1 ALA 48 3HB ALA 48 -1.870 -3.786 1.191 403 HB2 ALA 48 1HB ALA 48 -1.819 -4.768 -0.275 404 HB3 ALA 48 2HB ALA 48 -0.415 -3.808 0.194 405 H ARG 49 H ARG 49 1.800 -5.372 1.066 406 HA ARG 49 HA ARG 49 2.103 -7.051 -1.234 407 HB2 ARG 49 2HB ARG 49 3.643 -5.177 -0.735 408 HB3 ARG 49 3HB ARG 49 4.194 -6.031 0.700 409 HG2 ARG 49 2HG ARG 49 4.843 -7.917 -0.909 410 HG3 ARG 49 3HG ARG 49 4.657 -6.702 -2.179 411 HD2 ARG 49 2HD ARG 49 6.336 -5.325 -1.223 412 HD3 ARG 49 3HD ARG 49 6.374 -6.292 0.251 413 HE ARG 49 HE ARG 49 7.637 -6.912 -2.292 414 HH11 ARG 49 1HH1 ARG 49 6.712 -8.033 0.898 415 HH12 ARG 49 2HH1 ARG 49 7.863 -9.337 0.916 416 HH21 ARG 49 1HH2 ARG 49 9.168 -8.631 -2.257 417 HH22 ARG 49 2HH2 ARG 49 9.275 -9.656 -0.861 418 H LEU 50 H LEU 50 2.247 -7.422 2.198 419 HA LEU 50 HA LEU 50 3.470 -9.979 2.296 420 HB2 LEU 50 2HB LEU 50 2.711 -8.075 4.140 421 HB3 LEU 50 3HB LEU 50 1.523 -9.330 4.400 422 HG LEU 50 HG LEU 50 3.374 -9.595 5.937 423 HD11 LEU 50 1HD1 LEU 50 3.978 -11.917 5.432 424 HD12 LEU 50 2HD1 LEU 50 3.352 -11.717 3.795 425 HD13 LEU 50 3HD1 LEU 50 2.260 -11.610 5.175 426 HD21 LEU 50 3HD2 LEU 50 5.100 -8.499 4.625 427 HD22 LEU 50 1HD2 LEU 50 5.084 -9.830 3.464 428 HD23 LEU 50 2HD2 LEU 50 5.624 -10.112 5.121 429 H GLU 51 H GLU 51 0.131 -8.819 2.208 430 HA GLU 51 HA GLU 51 -1.181 -11.268 2.465 431 HB2 GLU 51 2HB GLU 51 -2.063 -8.904 0.799 432 HB3 GLU 51 3HB GLU 51 -3.099 -10.182 1.418 433 HG2 GLU 51 2HG GLU 51 -2.474 -9.458 3.725 434 HG3 GLU 51 3HG GLU 51 -1.637 -8.085 3.001 435 H PHE 52 H PHE 52 -0.177 -9.528 -0.469 436 HA PHE 52 HA PHE 52 -0.942 -11.650 -2.217 437 HB2 PHE 52 2HB PHE 52 0.794 -9.217 -2.658 438 HB3 PHE 52 3HB PHE 52 0.396 -10.367 -3.931 439 HD1 PHE 52 HD1 PHE 52 -2.169 -10.846 -4.224 440 HD2 PHE 52 HD2 PHE 52 -0.551 -7.371 -2.378 441 HE1 PHE 52 HE1 PHE 52 -4.265 -9.637 -4.669 442 HE2 PHE 52 HE2 PHE 52 -2.645 -6.158 -2.819 443 HZ PHE 52 HZ PHE 52 -4.504 -7.290 -3.965 444 H GLY 53 H GLY 53 1.896 -10.891 -0.394 445 HA2 GLY 53 2HA GLY 53 3.744 -12.554 -1.732 446 HA3 GLY 53 3HA GLY 53 3.838 -12.061 -0.045 447 H GLN 54 H GLN 54 1.217 -13.197 0.585 448 HA GLN 54 HA GLN 54 2.032 -15.971 0.890 449 HB2 GLN 54 2HB GLN 54 -0.417 -14.550 1.960 450 HB3 GLN 54 3HB GLN 54 0.122 -16.162 2.406 451 HG2 GLN 54 2HG GLN 54 1.766 -13.690 2.860 452 HG3 GLN 54 3HG GLN 54 0.635 -14.333 4.044 453 HE21 GLN 54 1HE2 GLN 54 2.593 -16.392 1.975 454 HE22 GLN 54 2HE2 GLN 54 3.618 -16.985 3.235 455 H LEU 55 H LEU 55 -0.309 -14.053 -0.855 456 HA LEU 55 HA LEU 55 -1.874 -16.278 -1.744 457 HB2 LEU 55 2HB LEU 55 -1.638 -13.508 -2.918 458 HB3 LEU 55 3HB LEU 55 -2.865 -14.690 -3.330 459 HG LEU 55 HG LEU 55 -2.517 -13.327 -0.658 460 HD11 LEU 55 1HD1 LEU 55 -3.478 -11.877 -2.351 461 HD12 LEU 55 2HD1 LEU 55 -4.698 -12.336 -1.162 462 HD13 LEU 55 3HD1 LEU 55 -4.678 -13.109 -2.748 463 HD21 LEU 55 3HD2 LEU 55 -3.258 -15.609 -0.322 464 HD22 LEU 55 1HD2 LEU 55 -4.524 -15.399 -1.531 465 HD23 LEU 55 2HD2 LEU 55 -4.588 -14.490 -0.023 466 H GLU 56 H GLU 56 1.026 -14.724 -2.768 467 HA GLU 56 HA GLU 56 2.660 -15.354 -4.186 468 HB2 GLU 56 2HB GLU 56 1.036 -17.892 -4.416 469 HB3 GLU 56 3HB GLU 56 2.665 -17.682 -5.048 470 HG2 GLU 56 2HG GLU 56 1.967 -17.317 -2.147 471 HG3 GLU 56 3HG GLU 56 2.471 -18.860 -2.833 472 H HIS 57 H HIS 57 1.343 -13.558 -5.344 473 HA HIS 57 HA HIS 57 0.941 -12.596 -7.362 474 HB2 HIS 57 2HB HIS 57 1.670 -15.328 -8.430 475 HB3 HIS 57 3HB HIS 57 1.250 -13.970 -9.466 476 HD1 HIS 57 HD1 HIS 57 3.558 -13.912 -10.550 477 HD2 HIS 57 HD2 HIS 57 3.644 -13.391 -6.421 478 HE1 HIS 57 HE1 HIS 57 5.892 -13.137 -10.009 479 HE2 HIS 57 HE2 HIS 57 5.970 -12.987 -7.494 480 H HIS 58 H HIS 58 -0.382 -15.872 -7.366 481 HA HIS 58 HA HIS 58 -3.078 -14.839 -7.758 482 HB2 HIS 58 2HB HIS 58 -2.308 -15.179 -10.050 483 HB3 HIS 58 3HB HIS 58 -1.699 -16.776 -9.646 484 HD1 HIS 58 HD1 HIS 58 -4.835 -14.930 -10.498 485 HD2 HIS 58 HD2 HIS 58 -3.641 -18.804 -9.553 486 HE1 HIS 58 HE1 HIS 58 -6.778 -16.411 -11.103 487 HE2 HIS 58 HE2 HIS 58 -5.918 -18.757 -10.777 488 H HIS 59 H HIS 59 -4.573 -16.137 -6.758 489 HA HIS 59 HA HIS 59 -3.901 -17.683 -4.625 490 HB2 HIS 59 2HB HIS 59 -6.357 -17.820 -6.368 491 HB3 HIS 59 3HB HIS 59 -6.196 -18.789 -4.909 492 HD1 HIS 59 HD1 HIS 59 -8.164 -16.219 -5.624 493 HD2 HIS 59 HD2 HIS 59 -4.994 -16.450 -2.939 494 HE1 HIS 59 HE1 HIS 59 -8.567 -14.401 -3.937 495 HE2 HIS 59 HE2 HIS 59 -6.752 -14.693 -2.218 496 H HIS 60 H HIS 60 -2.478 -19.272 -4.661 497 HA HIS 60 HA HIS 60 -2.280 -21.107 -6.856 498 HB2 HIS 60 2HB HIS 60 -0.338 -20.210 -5.475 499 HB3 HIS 60 3HB HIS 60 -0.859 -21.301 -4.200 500 HD1 HIS 60 HD1 HIS 60 1.134 -21.136 -7.246 501 HD2 HIS 60 HD2 HIS 60 -0.638 -24.113 -4.942 502 HE1 HIS 60 HE1 HIS 60 2.220 -23.290 -7.962 503 HE2 HIS 60 HE2 HIS 60 1.147 -25.078 -6.553 504 H HIS 61 H HIS 61 -2.363 -21.933 -3.394 505 HA HIS 61 HA HIS 61 -4.374 -23.985 -4.066 506 HB2 HIS 61 2HB HIS 61 -2.045 -24.674 -3.183 507 HB3 HIS 61 3HB HIS 61 -2.605 -24.061 -1.632 508 HD1 HIS 61 HD1 HIS 61 -4.125 -25.564 -0.266 509 HD2 HIS 61 HD2 HIS 61 -3.487 -26.957 -4.134 510 HE1 HIS 61 HE1 HIS 61 -5.097 -27.885 -0.327 511 HE2 HIS 61 HE2 HIS 61 -4.537 -28.768 -2.617 512 H HIS 62 H HIS 62 -3.883 -21.070 -2.569 513 HA HIS 62 HA HIS 62 -6.461 -21.247 -1.242 514 HB2 HIS 62 2HB HIS 62 -5.706 -20.214 0.819 515 HB3 HIS 62 3HB HIS 62 -4.798 -21.693 0.556 516 HD1 HIS 62 HD1 HIS 62 -4.405 -18.067 1.059 517 HD2 HIS 62 HD2 HIS 62 -2.053 -21.258 -0.207 518 HE1 HIS 62 HE1 HIS 62 -2.029 -17.267 1.226 519 HE2 HIS 62 HE2 HIS 62 -0.625 -19.173 0.366 Start of MODEL 4 1 H1 MET 1 1H MET 1 -10.247 8.806 -3.645 2 H2 MET 1 2H MET 1 -11.494 8.443 -4.732 3 H3 MET 1 3H MET 1 -9.996 8.990 -5.312 4 HA MET 1 HA MET 1 -10.516 6.436 -3.907 5 HB2 MET 1 2HB MET 1 -10.012 5.358 -6.024 6 HB3 MET 1 3HB MET 1 -11.339 6.490 -6.234 7 HG2 MET 1 2HG MET 1 -9.777 8.122 -7.195 8 HG3 MET 1 3HG MET 1 -8.469 6.954 -7.014 9 HE1 MET 1 3HE MET 1 -12.211 6.308 -8.084 10 HE2 MET 1 1HE MET 1 -12.073 6.378 -9.842 11 HE3 MET 1 2HE MET 1 -11.809 7.829 -8.876 12 H ASN 2 H ASN 2 -8.215 8.803 -5.003 13 HA ASN 2 HA ASN 2 -5.988 7.072 -4.182 14 HB2 ASN 2 2HB ASN 2 -5.719 8.108 -6.374 15 HB3 ASN 2 3HB ASN 2 -6.013 9.701 -5.689 16 HD21 ASN 2 1HD2 ASN 2 -4.389 10.753 -4.615 17 HD22 ASN 2 2HD2 ASN 2 -2.752 10.182 -4.585 18 H LEU 3 H LEU 3 -4.785 7.513 -2.415 19 HA LEU 3 HA LEU 3 -5.721 9.754 -0.737 20 HB2 LEU 3 2HB LEU 3 -4.488 7.116 0.056 21 HB3 LEU 3 3HB LEU 3 -4.895 8.405 1.172 22 HG LEU 3 HG LEU 3 -6.857 6.874 -0.535 23 HD11 LEU 3 1HD1 LEU 3 -7.642 5.985 1.609 24 HD12 LEU 3 2HD1 LEU 3 -6.326 6.827 2.429 25 HD13 LEU 3 3HD1 LEU 3 -5.969 5.538 1.281 26 HD21 LEU 3 3HD2 LEU 3 -7.302 9.041 1.517 27 HD22 LEU 3 1HD2 LEU 3 -8.568 8.084 0.751 28 HD23 LEU 3 2HD2 LEU 3 -7.578 9.171 -0.218 29 H ARG 4 H ARG 4 -3.907 10.191 1.053 30 HA ARG 4 HA ARG 4 -1.669 11.250 -0.412 31 HB2 ARG 4 2HB ARG 4 -2.541 12.605 1.366 32 HB3 ARG 4 3HB ARG 4 -2.386 11.287 2.522 33 HG2 ARG 4 2HG ARG 4 0.030 11.401 2.371 34 HG3 ARG 4 3HG ARG 4 -0.085 12.662 1.145 35 HD2 ARG 4 2HD ARG 4 -1.107 14.168 2.748 36 HD3 ARG 4 3HD ARG 4 -1.112 12.897 3.973 37 HE ARG 4 HE ARG 4 1.283 13.029 4.052 38 HH11 ARG 4 1HH1 ARG 4 -0.281 15.581 2.239 39 HH12 ARG 4 2HH1 ARG 4 1.092 16.641 2.290 40 HH21 ARG 4 1HH2 ARG 4 3.091 14.396 4.112 41 HH22 ARG 4 2HH2 ARG 4 3.035 15.948 3.328 42 H TRP 5 H TRP 5 0.032 10.080 -0.935 43 HA TRP 5 HA TRP 5 0.756 7.782 0.715 44 HB2 TRP 5 2HB TRP 5 1.631 8.660 -2.042 45 HB3 TRP 5 3HB TRP 5 2.374 7.318 -1.180 46 HD1 TRP 5 HD1 TRP 5 -1.228 8.312 -2.282 47 HE1 TRP 5 HE1 TRP 5 -2.460 6.155 -2.965 48 HE3 TRP 5 HE3 TRP 5 2.471 4.941 -1.277 49 HZ2 TRP 5 HZ2 TRP 5 -1.905 3.385 -3.077 50 HZ3 TRP 5 HZ3 TRP 5 2.044 2.555 -1.702 51 HH2 TRP 5 HH2 TRP 5 -0.101 1.796 -2.581 52 H THR 6 H THR 6 2.407 7.805 2.057 53 HA THR 6 HA THR 6 4.055 10.115 2.379 54 HB THR 6 HB THR 6 5.276 8.689 4.048 55 HG1 THR 6 HG1 THR 6 3.305 6.730 3.903 56 HG21 THR 6 3HG2 THR 6 2.265 8.722 4.287 57 HG22 THR 6 1HG2 THR 6 3.363 10.021 4.755 58 HG23 THR 6 2HG2 THR 6 3.395 8.484 5.620 59 H SER 7 H SER 7 6.423 10.111 2.146 60 HA SER 7 HA SER 7 7.268 9.163 -0.354 61 HB2 SER 7 2HB SER 7 8.957 10.020 2.008 62 HB3 SER 7 3HB SER 7 9.516 9.886 0.341 63 HG SER 7 HG SER 7 8.538 12.005 1.408 64 H GLU 8 H GLU 8 7.504 7.786 2.853 65 HA GLU 8 HA GLU 8 9.220 5.630 2.192 66 HB2 GLU 8 2HB GLU 8 7.155 5.956 4.370 67 HB3 GLU 8 3HB GLU 8 8.222 4.566 4.249 68 HG2 GLU 8 2HG GLU 8 9.096 6.078 5.877 69 HG3 GLU 8 3HG GLU 8 10.158 6.087 4.474 70 H ALA 9 H ALA 9 5.701 6.004 2.297 71 HA ALA 9 HA ALA 9 5.020 3.371 1.585 72 HB1 ALA 9 3HB ALA 9 2.836 4.285 0.969 73 HB2 ALA 9 1HB ALA 9 3.495 5.917 1.052 74 HB3 ALA 9 2HB ALA 9 3.395 4.931 2.511 75 H LYS 10 H LYS 10 5.560 6.260 -0.412 76 HA LYS 10 HA LYS 10 5.031 5.194 -2.921 77 HB2 LYS 10 2HB LYS 10 7.207 7.158 -2.173 78 HB3 LYS 10 3HB LYS 10 6.622 6.865 -3.804 79 HG2 LYS 10 2HG LYS 10 4.438 7.715 -3.203 80 HG3 LYS 10 3HG LYS 10 4.968 7.945 -1.533 81 HD2 LYS 10 2HD LYS 10 6.678 9.527 -2.311 82 HD3 LYS 10 3HD LYS 10 6.107 9.317 -3.966 83 HE2 LYS 10 2HE LYS 10 3.913 10.186 -3.313 84 HE3 LYS 10 3HE LYS 10 4.492 10.399 -1.661 85 HZ1 LYS 10 3HZ LYS 10 4.584 12.474 -2.848 86 HZ2 LYS 10 1HZ LYS 10 5.527 11.783 -4.076 87 HZ3 LYS 10 2HZ LYS 10 6.168 11.953 -2.518 88 H THR 11 H THR 11 8.071 5.149 -1.089 89 HA THR 11 HA THR 11 9.600 3.756 -2.994 90 HB THR 11 HB THR 11 9.939 3.743 0.012 91 HG1 THR 11 HG1 THR 11 10.013 5.867 -0.568 92 HG21 THR 11 3HG2 THR 11 11.305 2.058 -1.133 93 HG22 THR 11 1HG2 THR 11 12.311 3.362 -0.496 94 HG23 THR 11 2HG2 THR 11 11.931 3.300 -2.218 95 H LYS 12 H LYS 12 7.560 2.656 -0.331 96 HA LYS 12 HA LYS 12 8.141 -0.102 -0.538 97 HB2 LYS 12 2HB LYS 12 5.821 1.446 0.585 98 HB3 LYS 12 3HB LYS 12 5.841 -0.311 0.590 99 HG2 LYS 12 2HG LYS 12 7.983 1.386 1.848 100 HG3 LYS 12 3HG LYS 12 6.574 0.769 2.714 101 HD2 LYS 12 2HD LYS 12 7.289 -1.542 1.910 102 HD3 LYS 12 3HD LYS 12 8.819 -0.787 1.450 103 HE2 LYS 12 2HE LYS 12 9.187 -0.071 3.730 104 HE3 LYS 12 3HE LYS 12 7.616 -0.702 4.215 105 HZ1 LYS 12 3HZ LYS 12 9.256 -2.261 4.853 106 HZ2 LYS 12 1HZ LYS 12 9.979 -2.250 3.317 107 HZ3 LYS 12 2HZ LYS 12 8.436 -2.932 3.527 108 H LEU 13 H LEU 13 5.715 1.966 -2.076 109 HA LEU 13 HA LEU 13 4.295 -0.101 -3.379 110 HB2 LEU 13 2HB LEU 13 3.434 2.204 -3.096 111 HB3 LEU 13 3HB LEU 13 4.639 2.780 -4.232 112 HG LEU 13 HG LEU 13 3.588 1.429 -6.014 113 HD11 LEU 13 1HD1 LEU 13 1.499 0.822 -3.926 114 HD12 LEU 13 2HD1 LEU 13 2.643 -0.332 -4.607 115 HD13 LEU 13 3HD1 LEU 13 1.413 0.400 -5.635 116 HD21 LEU 13 3HD2 LEU 13 2.954 3.762 -5.712 117 HD22 LEU 13 1HD2 LEU 13 1.705 3.287 -4.559 118 HD23 LEU 13 2HD2 LEU 13 1.575 2.802 -6.252 119 H LYS 14 H LYS 14 7.089 1.833 -4.273 120 HA LYS 14 HA LYS 14 7.421 0.747 -6.881 121 HB2 LYS 14 2HB LYS 14 9.416 2.042 -5.013 122 HB3 LYS 14 3HB LYS 14 9.723 1.676 -6.704 123 HG2 LYS 14 2HG LYS 14 8.060 3.248 -7.410 124 HG3 LYS 14 3HG LYS 14 7.537 3.506 -5.744 125 HD2 LYS 14 2HD LYS 14 9.739 4.434 -5.202 126 HD3 LYS 14 3HD LYS 14 10.254 4.181 -6.870 127 HE2 LYS 14 2HE LYS 14 8.575 5.737 -7.660 128 HE3 LYS 14 3HE LYS 14 7.948 5.930 -6.022 129 HZ1 LYS 14 3HZ LYS 14 9.418 7.758 -6.696 130 HZ2 LYS 14 1HZ LYS 14 10.698 6.660 -6.887 131 HZ3 LYS 14 2HZ LYS 14 10.026 6.919 -5.352 132 H ASN 15 H ASN 15 8.050 -0.406 -3.731 133 HA ASN 15 HA ASN 15 10.135 -2.269 -4.410 134 HB2 ASN 15 2HB ASN 15 9.566 -1.207 -2.097 135 HB3 ASN 15 3HB ASN 15 8.353 -2.478 -1.995 136 HD21 ASN 15 1HD2 ASN 15 11.675 -1.689 -1.839 137 HD22 ASN 15 2HD2 ASN 15 12.262 -3.254 -1.379 138 H ILE 16 H ILE 16 6.751 -2.146 -4.644 139 HA ILE 16 HA ILE 16 6.346 -5.018 -4.747 140 HB ILE 16 HB ILE 16 4.405 -2.794 -5.437 141 HG12 ILE 16 2HG1 ILE 16 4.780 -4.258 -2.817 142 HG13 ILE 16 3HG1 ILE 16 5.216 -2.580 -3.127 143 HG21 ILE 16 1HG2 ILE 16 3.919 -5.688 -4.731 144 HG22 ILE 16 2HG2 ILE 16 3.772 -4.973 -6.337 145 HG23 ILE 16 3HG2 ILE 16 2.676 -4.479 -5.047 146 HD11 ILE 16 3HD1 ILE 16 2.878 -2.025 -3.484 147 HD12 ILE 16 1HD1 ILE 16 3.122 -2.762 -1.900 148 HD13 ILE 16 2HD1 ILE 16 2.428 -3.708 -3.217 149 HA PRO 17 HA PRO 17 7.222 -5.394 -9.136 150 HB2 PRO 17 2HB PRO 17 5.051 -7.429 -8.957 151 HB3 PRO 17 3HB PRO 17 6.676 -7.572 -9.639 152 HG2 PRO 17 2HG PRO 17 6.089 -8.667 -7.280 153 HG3 PRO 17 3HG PRO 17 7.662 -7.898 -7.567 154 HD2 PRO 17 2HD PRO 17 5.307 -6.886 -6.037 155 HD3 PRO 17 3HD PRO 17 7.040 -6.673 -5.714 156 H PHE 18 H PHE 18 6.375 -4.389 -10.866 157 HA PHE 18 HA PHE 18 4.213 -2.684 -10.727 158 HB2 PHE 18 2HB PHE 18 5.844 -2.332 -12.407 159 HB3 PHE 18 3HB PHE 18 5.605 -3.936 -13.086 160 HD1 PHE 18 HD2 PHE 18 4.022 -0.618 -12.661 161 HD2 PHE 18 HD1 PHE 18 4.038 -4.297 -14.796 162 HE1 PHE 18 HE2 PHE 18 2.433 0.322 -14.287 163 HE2 PHE 18 HE1 PHE 18 2.453 -3.363 -16.424 164 HZ PHE 18 HZ PHE 18 1.647 -1.052 -16.170 165 H PHE 19 H PHE 19 4.282 -6.034 -11.748 166 HA PHE 19 HA PHE 19 1.787 -6.231 -12.960 167 HB2 PHE 19 2HB PHE 19 3.345 -8.036 -13.124 168 HB3 PHE 19 3HB PHE 19 3.396 -8.238 -11.378 169 HD1 PHE 19 HD1 PHE 19 1.091 -8.474 -14.286 170 HD2 PHE 19 HD2 PHE 19 2.018 -9.777 -10.343 171 HE1 PHE 19 HE1 PHE 19 -0.700 -10.154 -14.423 172 HE2 PHE 19 HE2 PHE 19 0.227 -11.457 -10.471 173 HZ PHE 19 HZ PHE 19 -1.134 -11.646 -12.513 174 H ALA 20 H ALA 20 2.607 -6.037 -9.563 175 HA ALA 20 HA ALA 20 -0.221 -6.552 -8.912 176 HB1 ALA 20 3HB ALA 20 2.157 -7.038 -7.127 177 HB2 ALA 20 1HB ALA 20 1.315 -8.278 -8.057 178 HB3 ALA 20 2HB ALA 20 0.471 -7.417 -6.769 179 H ARG 21 H ARG 21 1.748 -4.039 -9.323 180 HA ARG 21 HA ARG 21 1.653 -2.649 -6.867 181 HB2 ARG 21 2HB ARG 21 1.960 -1.693 -9.700 182 HB3 ARG 21 3HB ARG 21 1.954 -0.586 -8.341 183 HG2 ARG 21 2HG ARG 21 3.872 -1.911 -7.401 184 HG3 ARG 21 3HG ARG 21 3.950 -2.734 -8.963 185 HD2 ARG 21 2HD ARG 21 4.761 -0.011 -8.213 186 HD3 ARG 21 3HD ARG 21 5.358 -1.058 -9.502 187 HE ARG 21 HE ARG 21 2.718 0.067 -9.932 188 HH11 ARG 21 1HH1 ARG 21 6.161 0.371 -10.555 189 HH12 ARG 21 2HH1 ARG 21 5.936 1.488 -11.875 190 HH21 ARG 21 1HH2 ARG 21 2.436 1.502 -11.639 191 HH22 ARG 21 2HH2 ARG 21 3.811 2.151 -12.475 192 H SER 22 H SER 22 -0.445 -2.454 -9.737 193 HA SER 22 HA SER 22 -2.165 -0.470 -8.745 194 HB2 SER 22 2HB SER 22 -2.777 -2.683 -10.719 195 HB3 SER 22 3HB SER 22 -3.701 -1.194 -10.512 196 HG SER 22 HG SER 22 -2.389 -0.633 -12.099 197 H GLN 23 H GLN 23 -2.346 -3.999 -8.641 198 HA GLN 23 HA GLN 23 -4.809 -4.235 -7.324 199 HB2 GLN 23 2HB GLN 23 -3.600 -6.096 -8.427 200 HB3 GLN 23 3HB GLN 23 -2.400 -6.055 -7.144 201 HG2 GLN 23 2HG GLN 23 -3.920 -7.848 -6.728 202 HG3 GLN 23 3HG GLN 23 -4.180 -6.589 -5.518 203 HE21 GLN 23 1HE2 GLN 23 -5.464 -8.224 -8.286 204 HE22 GLN 23 2HE2 GLN 23 -7.086 -7.626 -8.139 205 H ALA 24 H ALA 24 -1.494 -4.157 -6.036 206 HA ALA 24 HA ALA 24 -2.192 -4.363 -3.325 207 HB1 ALA 24 3HB ALA 24 0.084 -4.735 -4.186 208 HB2 ALA 24 1HB ALA 24 0.049 -3.588 -2.845 209 HB3 ALA 24 2HB ALA 24 0.228 -3.006 -4.501 210 H LYS 25 H LYS 25 -1.566 -1.515 -5.356 211 HA LYS 25 HA LYS 25 -1.774 0.479 -3.464 212 HB2 LYS 25 2HB LYS 25 -1.123 0.821 -5.828 213 HB3 LYS 25 3HB LYS 25 -2.796 0.575 -6.308 214 HG2 LYS 25 2HG LYS 25 -3.470 2.550 -5.087 215 HG3 LYS 25 3HG LYS 25 -1.819 2.783 -4.514 216 HD2 LYS 25 2HD LYS 25 -1.122 2.954 -6.922 217 HD3 LYS 25 3HD LYS 25 -2.834 2.977 -7.342 218 HE2 LYS 25 2HE LYS 25 -1.483 4.949 -5.499 219 HE3 LYS 25 3HE LYS 25 -1.821 5.238 -7.203 220 HZ1 LYS 25 3HZ LYS 25 -4.166 5.069 -6.764 221 HZ2 LYS 25 1HZ LYS 25 -3.488 6.212 -5.716 222 HZ3 LYS 25 2HZ LYS 25 -3.889 4.667 -5.140 223 H ALA 26 H ALA 26 -4.365 -1.078 -5.297 224 HA ALA 26 HA ALA 26 -6.506 0.458 -4.360 225 HB1 ALA 26 3HB ALA 26 -7.923 -1.386 -5.088 226 HB2 ALA 26 1HB ALA 26 -6.513 -2.442 -5.187 227 HB3 ALA 26 2HB ALA 26 -6.658 -1.059 -6.273 228 H ARG 27 H ARG 27 -5.022 -2.493 -3.046 229 HA ARG 27 HA ARG 27 -6.905 -2.650 -0.885 230 HB2 ARG 27 2HB ARG 27 -5.741 -4.654 -1.749 231 HB3 ARG 27 3HB ARG 27 -4.223 -4.019 -1.133 232 HG2 ARG 27 2HG ARG 27 -4.988 -4.187 1.123 233 HG3 ARG 27 3HG ARG 27 -6.620 -4.594 0.592 234 HD2 ARG 27 2HD ARG 27 -5.779 -6.672 -0.385 235 HD3 ARG 27 3HD ARG 27 -4.149 -6.262 0.147 236 HE ARG 27 HE ARG 27 -5.349 -6.230 2.471 237 HH11 ARG 27 1HH1 ARG 27 -5.892 -8.492 -0.147 238 HH12 ARG 27 2HH1 ARG 27 -6.283 -9.816 0.910 239 HH21 ARG 27 1HH2 ARG 27 -5.898 -7.972 3.862 240 HH22 ARG 27 2HH2 ARG 27 -6.300 -9.512 3.169 241 H ILE 28 H ILE 28 -3.684 -1.286 -1.302 242 HA ILE 28 HA ILE 28 -3.059 -0.786 1.384 243 HB ILE 28 HB ILE 28 -2.319 0.817 -1.069 244 HG12 ILE 28 2HG1 ILE 28 -0.667 -1.201 0.456 245 HG13 ILE 28 3HG1 ILE 28 -1.630 -1.622 -0.956 246 HG21 ILE 28 1HG2 ILE 28 -1.115 0.874 1.698 247 HG22 ILE 28 2HG2 ILE 28 -2.059 2.160 0.949 248 HG23 ILE 28 3HG2 ILE 28 -0.484 1.721 0.287 249 HD11 ILE 28 3HD1 ILE 28 0.623 0.368 -0.898 250 HD12 ILE 28 1HD1 ILE 28 -0.325 -0.087 -2.314 251 HD13 ILE 28 2HD1 ILE 28 0.706 -1.280 -1.523 252 H GLU 29 H GLU 29 -4.582 1.362 -1.011 253 HA GLU 29 HA GLU 29 -5.107 3.416 0.879 254 HB2 GLU 29 2HB GLU 29 -6.300 2.923 -1.858 255 HB3 GLU 29 3HB GLU 29 -6.452 4.417 -0.936 256 HG2 GLU 29 2HG GLU 29 -4.062 4.753 -1.012 257 HG3 GLU 29 3HG GLU 29 -3.842 3.213 -1.834 258 H GLN 30 H GLN 30 -6.797 0.548 -0.106 259 HA GLN 30 HA GLN 30 -9.305 1.164 1.087 260 HB2 GLN 30 2HB GLN 30 -8.899 -0.694 -0.538 261 HB3 GLN 30 3HB GLN 30 -8.025 -1.553 0.723 262 HG2 GLN 30 2HG GLN 30 -10.087 -1.564 2.086 263 HG3 GLN 30 3HG GLN 30 -10.942 -0.807 0.742 264 HE21 GLN 30 1HE2 GLN 30 -9.505 -3.711 1.953 265 HE22 GLN 30 2HE2 GLN 30 -10.093 -4.770 0.711 266 H LEU 31 H LEU 31 -6.343 -0.382 2.247 267 HA LEU 31 HA LEU 31 -7.261 -1.043 4.835 268 HB2 LEU 31 2HB LEU 31 -4.467 -0.476 3.825 269 HB3 LEU 31 3HB LEU 31 -4.830 -1.135 5.409 270 HG LEU 31 HG LEU 31 -5.615 -2.494 2.836 271 HD11 LEU 31 1HD1 LEU 31 -3.714 -3.947 3.131 272 HD12 LEU 31 2HD1 LEU 31 -3.232 -3.072 4.587 273 HD13 LEU 31 3HD1 LEU 31 -3.165 -2.273 3.015 274 HD21 LEU 31 3HD2 LEU 31 -6.940 -3.133 4.767 275 HD22 LEU 31 1HD2 LEU 31 -5.472 -3.449 5.693 276 HD23 LEU 31 2HD2 LEU 31 -5.867 -4.451 4.295 277 H ALA 32 H ALA 32 -5.871 1.873 3.467 278 HA ALA 32 HA ALA 32 -5.593 3.306 5.890 279 HB1 ALA 32 3HB ALA 32 -4.519 3.994 3.794 280 HB2 ALA 32 1HB ALA 32 -5.481 5.295 4.497 281 HB3 ALA 32 2HB ALA 32 -6.101 4.385 3.119 282 H ARG 33 H ARG 33 -8.268 2.871 3.626 283 HA ARG 33 HA ARG 33 -10.096 4.625 4.893 284 HB2 ARG 33 2HB ARG 33 -10.633 2.121 3.283 285 HB3 ARG 33 3HB ARG 33 -11.842 3.311 3.730 286 HG2 ARG 33 2HG ARG 33 -9.454 3.830 1.973 287 HG3 ARG 33 3HG ARG 33 -11.104 3.554 1.414 288 HD2 ARG 33 2HD ARG 33 -11.795 5.538 2.782 289 HD3 ARG 33 3HD ARG 33 -10.084 5.854 3.068 290 HE ARG 33 HE ARG 33 -10.431 5.611 0.318 291 HH11 ARG 33 1HH1 ARG 33 -11.388 7.795 2.890 292 HH12 ARG 33 2HH1 ARG 33 -11.602 9.147 1.823 293 HH21 ARG 33 1HH2 ARG 33 -10.727 7.366 -1.063 294 HH22 ARG 33 2HH2 ARG 33 -11.258 8.895 -0.433 295 H GLN 34 H GLN 34 -9.263 1.248 5.351 296 HA GLN 34 HA GLN 34 -11.193 0.538 7.253 297 HB2 GLN 34 2HB GLN 34 -9.785 -1.101 6.139 298 HB3 GLN 34 3HB GLN 34 -8.350 -0.417 6.884 299 HG2 GLN 34 2HG GLN 34 -9.204 -1.098 9.090 300 HG3 GLN 34 3HG GLN 34 -10.594 -1.840 8.295 301 HE21 GLN 34 1HE2 GLN 34 -7.170 -2.046 8.865 302 HE22 GLN 34 2HE2 GLN 34 -6.962 -3.666 8.291 303 H ALA 35 H ALA 35 -8.013 2.014 7.602 304 HA ALA 35 HA ALA 35 -8.198 2.236 10.465 305 HB1 ALA 35 3HB ALA 35 -6.032 2.013 9.374 306 HB2 ALA 35 1HB ALA 35 -6.120 3.530 10.268 307 HB3 ALA 35 2HB ALA 35 -6.292 3.528 8.512 308 H GLU 36 H GLU 36 -9.487 3.898 7.851 309 HA GLU 36 HA GLU 36 -10.772 5.740 7.638 310 HB2 GLU 36 2HB GLU 36 -10.616 5.686 10.648 311 HB3 GLU 36 3HB GLU 36 -11.557 6.882 9.764 312 HG2 GLU 36 2HG GLU 36 -12.925 5.162 8.793 313 HG3 GLU 36 3HG GLU 36 -11.924 3.907 9.519 314 H GLN 37 H GLN 37 -7.981 5.913 7.358 315 HA GLN 37 HA GLN 37 -7.626 8.772 7.953 316 HB2 GLN 37 2HB GLN 37 -5.172 8.350 8.083 317 HB3 GLN 37 3HB GLN 37 -6.083 7.567 9.368 318 HG2 GLN 37 2HG GLN 37 -6.005 5.461 8.033 319 HG3 GLN 37 3HG GLN 37 -4.922 6.284 6.912 320 HE21 GLN 37 1HE2 GLN 37 -3.249 4.876 7.317 321 HE22 GLN 37 2HE2 GLN 37 -2.367 4.864 8.804 322 H ASP 38 H ASP 38 -6.627 10.009 6.304 323 HA ASP 38 HA ASP 38 -7.062 8.824 3.665 324 HB2 ASP 38 2HB ASP 38 -6.600 11.718 4.428 325 HB3 ASP 38 3HB ASP 38 -7.043 11.129 2.829 326 H ILE 39 H ILE 39 -4.642 8.563 5.508 327 HA ILE 39 HA ILE 39 -2.592 9.195 3.489 328 HB ILE 39 HB ILE 39 -2.237 9.316 6.496 329 HG12 ILE 39 2HG1 ILE 39 -2.242 11.576 4.483 330 HG13 ILE 39 3HG1 ILE 39 -3.566 11.207 5.582 331 HG21 ILE 39 1HG2 ILE 39 -0.220 8.581 5.381 332 HG22 ILE 39 2HG2 ILE 39 -0.012 10.233 5.963 333 HG23 ILE 39 3HG2 ILE 39 -0.321 9.933 4.251 334 HD11 ILE 39 3HD1 ILE 39 -0.787 12.034 6.389 335 HD12 ILE 39 1HD1 ILE 39 -2.120 11.673 7.485 336 HD13 ILE 39 2HD1 ILE 39 -2.222 13.057 6.397 337 H VAL 40 H VAL 40 -1.248 7.516 2.989 338 HA VAL 40 HA VAL 40 -1.716 5.023 4.473 339 HB VAL 40 HB VAL 40 -0.872 3.808 2.562 340 HG11 VAL 40 1HG1 VAL 40 -2.589 4.365 0.904 341 HG12 VAL 40 2HG1 VAL 40 -2.883 5.894 1.737 342 HG13 VAL 40 3HG1 VAL 40 -3.228 4.365 2.548 343 HG21 VAL 40 3HG2 VAL 40 -0.256 4.940 0.476 344 HG22 VAL 40 1HG2 VAL 40 0.834 5.350 1.802 345 HG23 VAL 40 2HG2 VAL 40 -0.406 6.499 1.288 346 H THR 41 H THR 41 -0.094 3.929 5.427 347 HA THR 41 HA THR 41 2.470 5.309 5.655 348 HB THR 41 HB THR 41 2.840 3.686 7.547 349 HG1 THR 41 HG1 THR 41 0.932 2.562 8.268 350 HG21 THR 41 3HG2 THR 41 1.263 4.789 9.085 351 HG22 THR 41 1HG2 THR 41 0.357 5.403 7.701 352 HG23 THR 41 2HG2 THR 41 2.012 5.945 7.981 353 HA PRO 42 HA PRO 42 4.777 2.394 3.270 354 HB2 PRO 42 2HB PRO 42 6.879 1.808 4.957 355 HB3 PRO 42 3HB PRO 42 6.781 3.256 3.952 356 HG2 PRO 42 2HG PRO 42 6.122 2.912 6.851 357 HG3 PRO 42 3HG PRO 42 6.971 4.245 6.042 358 HD2 PRO 42 2HD PRO 42 4.405 4.473 6.762 359 HD3 PRO 42 3HD PRO 42 5.001 5.182 5.246 360 H GLU 43 H GLU 43 4.097 1.555 6.612 361 HA GLU 43 HA GLU 43 4.673 -1.221 6.296 362 HB2 GLU 43 2HB GLU 43 3.124 0.180 8.478 363 HB3 GLU 43 3HB GLU 43 3.759 -1.460 8.550 364 HG2 GLU 43 2HG GLU 43 5.368 1.078 8.364 365 HG3 GLU 43 3HG GLU 43 5.186 0.051 9.784 366 H LEU 44 H LEU 44 1.839 0.781 5.896 367 HA LEU 44 HA LEU 44 -0.050 -1.326 5.715 368 HB2 LEU 44 2HB LEU 44 0.019 1.533 5.206 369 HB3 LEU 44 3HB LEU 44 -0.910 0.685 3.984 370 HG LEU 44 HG LEU 44 -2.349 -0.270 5.694 371 HD11 LEU 44 1HD1 LEU 44 -0.650 1.272 7.641 372 HD12 LEU 44 2HD1 LEU 44 -0.765 -0.484 7.506 373 HD13 LEU 44 3HD1 LEU 44 -2.164 0.457 8.032 374 HD21 LEU 44 3HD2 LEU 44 -2.984 1.870 4.756 375 HD22 LEU 44 1HD2 LEU 44 -2.006 2.712 5.958 376 HD23 LEU 44 2HD2 LEU 44 -3.428 1.800 6.461 377 H VAL 45 H VAL 45 1.978 0.349 3.363 378 HA VAL 45 HA VAL 45 1.180 -1.105 1.082 379 HB VAL 45 HB VAL 45 3.919 0.053 1.624 380 HG11 VAL 45 1HG1 VAL 45 4.086 0.218 -0.798 381 HG12 VAL 45 2HG1 VAL 45 2.484 -0.497 -0.969 382 HG13 VAL 45 3HG1 VAL 45 3.808 -1.452 -0.304 383 HG21 VAL 45 3HG2 VAL 45 2.242 1.756 2.001 384 HG22 VAL 45 1HG2 VAL 45 1.470 1.377 0.463 385 HG23 VAL 45 2HG2 VAL 45 3.088 2.075 0.488 386 H GLU 46 H GLU 46 3.748 -1.592 3.458 387 HA GLU 46 HA GLU 46 4.897 -3.937 2.521 388 HB2 GLU 46 2HB GLU 46 5.744 -2.612 4.432 389 HB3 GLU 46 3HB GLU 46 4.363 -3.121 5.391 390 HG2 GLU 46 2HG GLU 46 6.276 -4.391 6.038 391 HG3 GLU 46 3HG GLU 46 5.144 -5.451 5.202 392 H GLN 47 H GLN 47 2.269 -3.592 4.894 393 HA GLN 47 HA GLN 47 1.687 -6.278 5.242 394 HB2 GLN 47 2HB GLN 47 0.802 -4.465 6.657 395 HB3 GLN 47 3HB GLN 47 -0.242 -3.955 5.338 396 HG2 GLN 47 2HG GLN 47 -1.489 -5.236 6.953 397 HG3 GLN 47 3HG GLN 47 -1.397 -6.112 5.425 398 HE21 GLN 47 1HE2 GLN 47 -1.749 -8.107 6.350 399 HE22 GLN 47 2HE2 GLN 47 -0.576 -8.884 7.361 400 H ALA 48 H ALA 48 0.246 -3.990 2.924 401 HA ALA 48 HA ALA 48 -1.602 -5.773 1.804 402 HB1 ALA 48 3HB ALA 48 -1.672 -3.354 1.447 403 HB2 ALA 48 1HB ALA 48 -1.714 -4.242 -0.076 404 HB3 ALA 48 2HB ALA 48 -0.221 -3.462 0.448 405 H ARG 49 H ARG 49 1.806 -5.211 1.073 406 HA ARG 49 HA ARG 49 1.743 -6.875 -1.277 407 HB2 ARG 49 2HB ARG 49 3.347 -4.986 -1.007 408 HB3 ARG 49 3HB ARG 49 4.136 -5.878 0.288 409 HG2 ARG 49 2HG ARG 49 3.898 -7.443 -2.147 410 HG3 ARG 49 3HG ARG 49 4.803 -5.947 -2.380 411 HD2 ARG 49 2HD ARG 49 5.418 -7.621 -0.002 412 HD3 ARG 49 3HD ARG 49 5.971 -8.176 -1.581 413 HE ARG 49 HE ARG 49 7.386 -6.310 -1.731 414 HH11 ARG 49 1HH1 ARG 49 5.574 -6.317 1.259 415 HH12 ARG 49 2HH1 ARG 49 6.663 -5.231 2.068 416 HH21 ARG 49 1HH2 ARG 49 8.825 -4.890 -0.668 417 HH22 ARG 49 2HH2 ARG 49 8.514 -4.447 0.983 418 H LEU 50 H LEU 50 2.218 -7.288 2.112 419 HA LEU 50 HA LEU 50 3.404 -9.890 1.990 420 HB2 LEU 50 2HB LEU 50 2.994 -8.028 3.961 421 HB3 LEU 50 3HB LEU 50 1.775 -9.227 4.349 422 HG LEU 50 HG LEU 50 3.819 -9.627 5.606 423 HD11 LEU 50 1HD1 LEU 50 2.488 -11.563 5.006 424 HD12 LEU 50 2HD1 LEU 50 4.205 -11.971 4.975 425 HD13 LEU 50 3HD1 LEU 50 3.335 -11.694 3.465 426 HD21 LEU 50 3HD2 LEU 50 5.891 -10.243 4.474 427 HD22 LEU 50 1HD2 LEU 50 5.393 -8.606 4.050 428 HD23 LEU 50 2HD2 LEU 50 5.134 -9.931 2.911 429 H GLU 51 H GLU 51 0.146 -8.596 2.343 430 HA GLU 51 HA GLU 51 -1.337 -10.897 2.704 431 HB2 GLU 51 2HB GLU 51 -2.009 -8.440 1.074 432 HB3 GLU 51 3HB GLU 51 -3.174 -9.671 1.533 433 HG2 GLU 51 2HG GLU 51 -1.585 -8.013 3.470 434 HG3 GLU 51 3HG GLU 51 -3.234 -7.663 2.960 435 H PHE 52 H PHE 52 -0.469 -9.366 -0.391 436 HA PHE 52 HA PHE 52 -1.607 -11.473 -1.936 437 HB2 PHE 52 2HB PHE 52 0.268 -9.234 -2.715 438 HB3 PHE 52 3HB PHE 52 -0.466 -10.353 -3.861 439 HD1 PHE 52 HD1 PHE 52 -3.094 -10.547 -3.657 440 HD2 PHE 52 HD2 PHE 52 -0.787 -7.230 -2.322 441 HE1 PHE 52 HE1 PHE 52 -5.090 -9.114 -3.779 442 HE2 PHE 52 HE2 PHE 52 -2.782 -5.795 -2.437 443 HZ PHE 52 HZ PHE 52 -4.934 -6.737 -3.166 444 H GLY 53 H GLY 53 1.508 -10.893 -0.530 445 HA2 GLY 53 2HA GLY 53 3.041 -12.738 -2.012 446 HA3 GLY 53 3HA GLY 53 3.366 -12.230 -0.355 447 H GLN 54 H GLN 54 1.014 -13.105 0.857 448 HA GLN 54 HA GLN 54 1.515 -15.900 1.149 449 HB2 GLN 54 2HB GLN 54 -0.609 -14.076 2.272 450 HB3 GLN 54 3HB GLN 54 -0.527 -15.790 2.653 451 HG2 GLN 54 2HG GLN 54 1.676 -13.805 3.173 452 HG3 GLN 54 3HG GLN 54 0.504 -14.355 4.370 453 HE21 GLN 54 1HE2 GLN 54 0.585 -16.497 5.082 454 HE22 GLN 54 2HE2 GLN 54 2.016 -17.459 4.913 455 H LEU 55 H LEU 55 -0.882 -13.968 -0.514 456 HA LEU 55 HA LEU 55 -2.677 -16.078 -1.125 457 HB2 LEU 55 2HB LEU 55 -2.197 -13.454 -2.541 458 HB3 LEU 55 3HB LEU 55 -3.558 -14.520 -2.838 459 HG LEU 55 HG LEU 55 -2.976 -13.146 -0.212 460 HD11 LEU 55 1HD1 LEU 55 -4.932 -11.773 -0.751 461 HD12 LEU 55 2HD1 LEU 55 -5.028 -12.545 -2.335 462 HD13 LEU 55 3HD1 LEU 55 -3.630 -11.551 -1.922 463 HD21 LEU 55 3HD2 LEU 55 -5.369 -14.744 -1.110 464 HD22 LEU 55 1HD2 LEU 55 -5.183 -13.928 0.441 465 HD23 LEU 55 2HD2 LEU 55 -4.141 -15.292 0.032 466 H GLU 56 H GLU 56 0.169 -14.775 -2.710 467 HA GLU 56 HA GLU 56 -0.161 -16.596 -4.960 468 HB2 GLU 56 2HB GLU 56 0.535 -14.203 -5.269 469 HB3 GLU 56 3HB GLU 56 2.039 -14.585 -4.450 470 HG2 GLU 56 2HG GLU 56 2.132 -14.523 -6.954 471 HG3 GLU 56 3HG GLU 56 2.754 -15.988 -6.198 472 H HIS 57 H HIS 57 0.773 -17.025 -1.959 473 HA HIS 57 HA HIS 57 3.214 -18.527 -2.410 474 HB2 HIS 57 2HB HIS 57 2.506 -17.238 -0.242 475 HB3 HIS 57 3HB HIS 57 1.552 -18.675 0.096 476 HD1 HIS 57 HD1 HIS 57 4.436 -17.370 1.305 477 HD2 HIS 57 HD2 HIS 57 3.681 -21.021 -0.543 478 HE1 HIS 57 HE1 HIS 57 6.282 -18.899 2.046 479 HE2 HIS 57 HE2 HIS 57 5.914 -21.038 0.772 480 H HIS 58 H HIS 58 3.130 -20.491 -3.286 481 HA HIS 58 HA HIS 58 0.572 -21.905 -3.326 482 HB2 HIS 58 2HB HIS 58 3.145 -22.403 -4.838 483 HB3 HIS 58 3HB HIS 58 1.669 -23.342 -5.035 484 HD1 HIS 58 HD1 HIS 58 -0.187 -22.337 -6.445 485 HD2 HIS 58 HD2 HIS 58 3.035 -19.775 -5.907 486 HE1 HIS 58 HE1 HIS 58 -0.565 -20.432 -8.045 487 HE2 HIS 58 HE2 HIS 58 1.288 -18.795 -7.549 488 H HIS 59 H HIS 59 0.146 -23.534 -1.985 489 HA HIS 59 HA HIS 59 2.360 -25.230 -1.103 490 HB2 HIS 59 2HB HIS 59 1.990 -23.474 0.641 491 HB3 HIS 59 3HB HIS 59 0.352 -24.082 0.848 492 HD1 HIS 59 HD1 HIS 59 1.798 -24.174 3.348 493 HD2 HIS 59 HD2 HIS 59 2.296 -27.205 0.541 494 HE1 HIS 59 HE1 HIS 59 2.640 -26.162 4.632 495 HE2 HIS 59 HE2 HIS 59 2.776 -28.027 2.950 496 H HIS 60 H HIS 60 -1.093 -24.986 -0.121 497 HA HIS 60 HA HIS 60 -1.504 -27.665 -1.252 498 HB2 HIS 60 2HB HIS 60 -2.273 -28.610 0.828 499 HB3 HIS 60 3HB HIS 60 -0.665 -27.945 1.082 500 HD1 HIS 60 HD1 HIS 60 -4.154 -27.722 2.255 501 HD2 HIS 60 HD2 HIS 60 -0.642 -25.525 2.662 502 HE1 HIS 60 HE1 HIS 60 -4.550 -26.156 4.186 503 HE2 HIS 60 HE2 HIS 60 -2.365 -24.931 4.500 504 H HIS 61 H HIS 61 -2.589 -24.911 -1.746 505 HA HIS 61 HA HIS 61 -4.589 -23.915 -2.232 506 HB2 HIS 61 2HB HIS 61 -5.643 -26.725 -1.794 507 HB3 HIS 61 3HB HIS 61 -6.640 -25.387 -2.348 508 HD1 HIS 61 HD1 HIS 61 -6.735 -25.016 -4.806 509 HD2 HIS 61 HD2 HIS 61 -3.524 -27.411 -3.686 510 HE1 HIS 61 HE1 HIS 61 -5.762 -25.891 -6.950 511 HE2 HIS 61 HE2 HIS 61 -3.918 -27.456 -6.244 512 H HIS 62 H HIS 62 -7.155 -24.311 -1.085 513 HA HIS 62 HA HIS 62 -6.710 -24.316 1.811 514 HB2 HIS 62 2HB HIS 62 -6.726 -21.940 1.014 515 HB3 HIS 62 3HB HIS 62 -8.358 -22.199 0.403 516 HD1 HIS 62 HD1 HIS 62 -10.224 -21.796 2.015 517 HD2 HIS 62 HD2 HIS 62 -6.553 -22.228 3.915 518 HE1 HIS 62 HE1 HIS 62 -10.651 -21.280 4.441 519 HE2 HIS 62 HE2 HIS 62 -8.401 -21.480 5.562 Start of MODEL 5 1 H1 MET 1 1H MET 1 -8.547 9.866 -6.761 2 H2 MET 1 2H MET 1 -9.818 9.309 -7.732 3 H3 MET 1 3H MET 1 -8.211 9.076 -8.224 4 HA MET 1 HA MET 1 -9.540 7.840 -5.883 5 HB2 MET 1 2HB MET 1 -8.502 6.644 -8.465 6 HB3 MET 1 3HB MET 1 -9.134 5.722 -7.111 7 HG2 MET 1 2HG MET 1 -10.860 5.838 -8.702 8 HG3 MET 1 3HG MET 1 -11.298 6.967 -7.422 9 HE1 MET 1 3HE MET 1 -12.757 8.833 -10.485 10 HE2 MET 1 1HE MET 1 -13.055 8.204 -8.868 11 HE3 MET 1 2HE MET 1 -12.769 7.093 -10.205 12 H ASN 2 H ASN 2 -7.388 9.406 -5.368 13 HA ASN 2 HA ASN 2 -5.330 7.401 -4.747 14 HB2 ASN 2 2HB ASN 2 -4.913 10.129 -5.944 15 HB3 ASN 2 3HB ASN 2 -3.660 9.366 -4.975 16 HD21 ASN 2 1HD2 ASN 2 -5.387 9.333 -7.970 17 HD22 ASN 2 2HD2 ASN 2 -4.361 8.202 -8.781 18 H LEU 3 H LEU 3 -4.905 7.329 -2.643 19 HA LEU 3 HA LEU 3 -5.787 9.490 -0.919 20 HB2 LEU 3 2HB LEU 3 -4.480 6.835 -0.358 21 HB3 LEU 3 3HB LEU 3 -4.794 8.019 0.898 22 HG LEU 3 HG LEU 3 -6.855 6.616 -0.808 23 HD11 LEU 3 1HD1 LEU 3 -7.594 5.699 1.346 24 HD12 LEU 3 2HD1 LEU 3 -6.229 6.486 2.137 25 HD13 LEU 3 3HD1 LEU 3 -5.947 5.218 0.944 26 HD21 LEU 3 3HD2 LEU 3 -7.236 8.702 1.337 27 HD22 LEU 3 1HD2 LEU 3 -8.518 7.814 0.514 28 HD23 LEU 3 2HD2 LEU 3 -7.500 8.937 -0.393 29 H ARG 4 H ARG 4 -3.992 9.849 0.979 30 HA ARG 4 HA ARG 4 -1.869 11.215 -0.451 31 HB2 ARG 4 2HB ARG 4 -2.389 11.135 2.523 32 HB3 ARG 4 3HB ARG 4 -1.385 12.292 1.654 33 HG2 ARG 4 2HG ARG 4 -3.304 13.201 0.543 34 HG3 ARG 4 3HG ARG 4 -4.344 11.968 1.267 35 HD2 ARG 4 2HD ARG 4 -3.436 12.907 3.512 36 HD3 ARG 4 3HD ARG 4 -3.019 14.322 2.548 37 HE ARG 4 HE ARG 4 -5.670 13.675 1.985 38 HH11 ARG 4 1HH1 ARG 4 -3.755 14.856 4.675 39 HH12 ARG 4 2HH1 ARG 4 -5.110 15.621 5.461 40 HH21 ARG 4 1HH2 ARG 4 -7.424 14.666 2.985 41 HH22 ARG 4 2HH2 ARG 4 -7.217 15.500 4.498 42 H TRP 5 H TRP 5 -0.007 10.302 -0.849 43 HA TRP 5 HA TRP 5 0.726 7.914 0.684 44 HB2 TRP 5 2HB TRP 5 1.591 8.899 -2.039 45 HB3 TRP 5 3HB TRP 5 2.367 7.551 -1.221 46 HD1 TRP 5 HD1 TRP 5 -1.202 8.503 -2.430 47 HE1 TRP 5 HE1 TRP 5 -2.391 6.332 -3.153 48 HE3 TRP 5 HE3 TRP 5 2.458 5.152 -1.214 49 HZ2 TRP 5 HZ2 TRP 5 -1.826 3.563 -3.210 50 HZ3 TRP 5 HZ3 TRP 5 2.058 2.761 -1.636 51 HH2 TRP 5 HH2 TRP 5 -0.042 1.985 -2.612 52 H THR 6 H THR 6 2.270 8.004 2.133 53 HA THR 6 HA THR 6 3.951 10.279 2.483 54 HB THR 6 HB THR 6 5.133 8.797 4.155 55 HG1 THR 6 HG1 THR 6 3.032 6.946 3.886 56 HG21 THR 6 3HG2 THR 6 2.124 8.947 4.411 57 HG22 THR 6 1HG2 THR 6 3.260 10.234 4.825 58 HG23 THR 6 2HG2 THR 6 3.268 8.721 5.735 59 H SER 7 H SER 7 6.339 10.204 2.356 60 HA SER 7 HA SER 7 7.232 9.358 -0.161 61 HB2 SER 7 2HB SER 7 8.305 11.155 1.165 62 HB3 SER 7 3HB SER 7 8.895 9.947 2.304 63 HG SER 7 HG SER 7 10.562 9.935 1.020 64 H GLU 8 H GLU 8 7.545 7.913 3.030 65 HA GLU 8 HA GLU 8 9.131 5.708 2.365 66 HB2 GLU 8 2HB GLU 8 7.025 6.064 4.501 67 HB3 GLU 8 3HB GLU 8 8.066 4.654 4.393 68 HG2 GLU 8 2HG GLU 8 8.849 6.264 6.050 69 HG3 GLU 8 3HG GLU 8 10.020 6.012 4.761 70 H ALA 9 H ALA 9 5.617 6.121 2.382 71 HA ALA 9 HA ALA 9 4.940 3.479 1.685 72 HB1 ALA 9 3HB ALA 9 2.757 4.355 1.101 73 HB2 ALA 9 1HB ALA 9 3.396 5.999 1.101 74 HB3 ALA 9 2HB ALA 9 3.326 5.081 2.604 75 H LYS 10 H LYS 10 5.408 6.380 -0.311 76 HA LYS 10 HA LYS 10 4.860 5.263 -2.807 77 HB2 LYS 10 2HB LYS 10 6.828 7.445 -2.072 78 HB3 LYS 10 3HB LYS 10 6.278 7.099 -3.708 79 HG2 LYS 10 2HG LYS 10 4.092 7.808 -3.246 80 HG3 LYS 10 3HG LYS 10 4.348 7.745 -1.504 81 HD2 LYS 10 2HD LYS 10 4.336 10.038 -2.160 82 HD3 LYS 10 3HD LYS 10 5.995 9.604 -1.755 83 HE2 LYS 10 2HE LYS 10 6.503 9.336 -4.138 84 HE3 LYS 10 3HE LYS 10 4.843 9.778 -4.536 85 HZ1 LYS 10 3HZ LYS 10 6.254 11.687 -4.779 86 HZ2 LYS 10 1HZ LYS 10 6.857 11.504 -3.201 87 HZ3 LYS 10 2HZ LYS 10 5.235 11.934 -3.445 88 H THR 11 H THR 11 7.923 5.371 -1.006 89 HA THR 11 HA THR 11 9.470 4.080 -2.992 90 HB THR 11 HB THR 11 9.937 4.201 -0.004 91 HG1 THR 11 HG1 THR 11 10.975 6.110 -0.418 92 HG21 THR 11 3HG2 THR 11 11.306 2.486 -1.089 93 HG22 THR 11 1HG2 THR 11 12.300 3.852 -0.585 94 HG23 THR 11 2HG2 THR 11 11.854 3.666 -2.281 95 H LYS 12 H LYS 12 7.638 2.876 -0.208 96 HA LYS 12 HA LYS 12 8.368 0.164 -0.435 97 HB2 LYS 12 2HB LYS 12 5.993 1.574 0.749 98 HB3 LYS 12 3HB LYS 12 6.080 -0.180 0.718 99 HG2 LYS 12 2HG LYS 12 8.216 1.541 1.943 100 HG3 LYS 12 3HG LYS 12 6.833 0.916 2.848 101 HD2 LYS 12 2HD LYS 12 7.506 -1.378 2.204 102 HD3 LYS 12 3HD LYS 12 8.932 -0.708 1.405 103 HE2 LYS 12 2HE LYS 12 9.740 0.168 3.501 104 HE3 LYS 12 3HE LYS 12 8.271 -0.355 4.323 105 HZ1 LYS 12 3HZ LYS 12 10.108 -1.873 4.716 106 HZ2 LYS 12 1HZ LYS 12 10.268 -2.156 3.050 107 HZ3 LYS 12 2HZ LYS 12 8.863 -2.652 3.868 108 H LEU 13 H LEU 13 5.784 2.048 -1.930 109 HA LEU 13 HA LEU 13 4.406 -0.047 -3.186 110 HB2 LEU 13 2HB LEU 13 3.599 2.293 -2.984 111 HB3 LEU 13 3HB LEU 13 4.795 2.786 -4.168 112 HG LEU 13 HG LEU 13 3.689 1.375 -5.866 113 HD11 LEU 13 1HD1 LEU 13 2.722 -0.308 -4.402 114 HD12 LEU 13 2HD1 LEU 13 1.479 0.436 -5.408 115 HD13 LEU 13 3HD1 LEU 13 1.634 0.897 -3.712 116 HD21 LEU 13 3HD2 LEU 13 1.859 3.339 -4.485 117 HD22 LEU 13 1HD2 LEU 13 1.689 2.762 -6.144 118 HD23 LEU 13 2HD2 LEU 13 3.092 3.728 -5.687 119 H LYS 14 H LYS 14 7.260 1.768 -4.131 120 HA LYS 14 HA LYS 14 7.479 0.724 -6.763 121 HB2 LYS 14 2HB LYS 14 9.585 1.886 -4.936 122 HB3 LYS 14 3HB LYS 14 9.807 1.567 -6.650 123 HG2 LYS 14 2HG LYS 14 8.134 3.201 -7.219 124 HG3 LYS 14 3HG LYS 14 7.759 3.454 -5.511 125 HD2 LYS 14 2HD LYS 14 10.023 4.272 -5.130 126 HD3 LYS 14 3HD LYS 14 10.417 3.994 -6.826 127 HE2 LYS 14 2HE LYS 14 8.757 5.632 -7.501 128 HE3 LYS 14 3HE LYS 14 8.294 5.881 -5.818 129 HZ1 LYS 14 3HZ LYS 14 9.818 7.597 -6.653 130 HZ2 LYS 14 1HZ LYS 14 11.000 6.407 -6.925 131 HZ3 LYS 14 2HZ LYS 14 10.474 6.738 -5.343 132 H ASN 15 H ASN 15 8.042 -0.675 -3.721 133 HA ASN 15 HA ASN 15 9.961 -2.620 -4.751 134 HB2 ASN 15 2HB ASN 15 8.942 -1.962 -2.006 135 HB3 ASN 15 3HB ASN 15 9.683 -3.527 -2.312 136 HD21 ASN 15 1HD2 ASN 15 10.205 -0.089 -2.145 137 HD22 ASN 15 2HD2 ASN 15 11.936 -0.162 -2.098 138 H ILE 16 H ILE 16 6.757 -2.238 -4.951 139 HA ILE 16 HA ILE 16 6.083 -5.065 -4.590 140 HB ILE 16 HB ILE 16 4.309 -2.748 -5.411 141 HG12 ILE 16 2HG1 ILE 16 4.629 -4.110 -2.727 142 HG13 ILE 16 3HG1 ILE 16 5.191 -2.492 -3.130 143 HG21 ILE 16 1HG2 ILE 16 3.589 -5.547 -4.541 144 HG22 ILE 16 2HG2 ILE 16 3.473 -4.910 -6.181 145 HG23 ILE 16 3HG2 ILE 16 2.451 -4.249 -4.905 146 HD11 ILE 16 3HD1 ILE 16 3.137 -2.437 -1.845 147 HD12 ILE 16 1HD1 ILE 16 2.329 -3.401 -3.080 148 HD13 ILE 16 2HD1 ILE 16 2.895 -1.773 -3.459 149 HA PRO 17 HA PRO 17 6.931 -6.065 -8.869 150 HB2 PRO 17 2HB PRO 17 4.612 -7.896 -8.454 151 HB3 PRO 17 3HB PRO 17 6.220 -8.249 -9.099 152 HG2 PRO 17 2HG PRO 17 5.574 -8.977 -6.629 153 HG3 PRO 17 3HG PRO 17 7.187 -8.334 -6.988 154 HD2 PRO 17 2HD PRO 17 4.869 -7.006 -5.653 155 HD3 PRO 17 3HD PRO 17 6.604 -6.855 -5.315 156 H PHE 18 H PHE 18 6.165 -5.292 -10.775 157 HA PHE 18 HA PHE 18 4.277 -3.273 -10.730 158 HB2 PHE 18 2HB PHE 18 6.034 -3.427 -12.429 159 HB3 PHE 18 3HB PHE 18 5.239 -4.829 -13.137 160 HD1 PHE 18 HD1 PHE 18 4.899 -1.207 -12.506 161 HD2 PHE 18 HD2 PHE 18 3.459 -4.580 -14.656 162 HE1 PHE 18 HE1 PHE 18 3.556 0.280 -13.933 163 HE2 PHE 18 HE2 PHE 18 2.113 -3.100 -16.088 164 HZ PHE 18 HZ PHE 18 2.160 -0.667 -15.726 165 H PHE 19 H PHE 19 3.864 -6.611 -11.849 166 HA PHE 19 HA PHE 19 1.336 -6.334 -12.989 167 HB2 PHE 19 2HB PHE 19 2.634 -8.721 -11.681 168 HB3 PHE 19 3HB PHE 19 1.118 -8.804 -12.572 169 HD1 PHE 19 HD1 PHE 19 4.733 -8.230 -12.845 170 HD2 PHE 19 HD2 PHE 19 1.065 -8.701 -14.955 171 HE1 PHE 19 HE1 PHE 19 5.979 -8.514 -14.942 172 HE2 PHE 19 HE2 PHE 19 2.311 -8.989 -17.056 173 HZ PHE 19 HZ PHE 19 4.771 -8.898 -17.049 174 H ALA 20 H ALA 20 2.249 -6.555 -9.645 175 HA ALA 20 HA ALA 20 -0.602 -6.680 -8.921 176 HB1 ALA 20 3HB ALA 20 0.062 -7.691 -6.803 177 HB2 ALA 20 1HB ALA 20 1.756 -7.630 -7.296 178 HB3 ALA 20 2HB ALA 20 0.618 -8.658 -8.170 179 H ARG 21 H ARG 21 1.609 -4.469 -9.391 180 HA ARG 21 HA ARG 21 1.864 -3.222 -6.835 181 HB2 ARG 21 2HB ARG 21 3.489 -2.944 -8.722 182 HB3 ARG 21 3HB ARG 21 2.290 -1.955 -9.543 183 HG2 ARG 21 2HG ARG 21 2.376 -0.296 -7.838 184 HG3 ARG 21 3HG ARG 21 3.370 -1.327 -6.808 185 HD2 ARG 21 2HD ARG 21 4.815 0.276 -7.789 186 HD3 ARG 21 3HD ARG 21 5.122 -1.261 -8.594 187 HE ARG 21 HE ARG 21 3.198 0.234 -10.044 188 HH11 ARG 21 1HH1 ARG 21 6.622 -0.015 -9.375 189 HH12 ARG 21 2HH1 ARG 21 7.103 0.916 -10.766 190 HH21 ARG 21 1HH2 ARG 21 3.817 1.440 -11.904 191 HH22 ARG 21 2HH2 ARG 21 5.503 1.710 -12.224 192 H SER 22 H SER 22 -0.017 -2.413 -9.744 193 HA SER 22 HA SER 22 -1.464 -0.306 -8.545 194 HB2 SER 22 2HB SER 22 -2.351 -2.051 -10.857 195 HB3 SER 22 3HB SER 22 -2.875 -0.403 -10.504 196 HG SER 22 HG SER 22 -1.259 -0.452 -12.134 197 H GLN 23 H GLN 23 -1.833 -3.756 -8.547 198 HA GLN 23 HA GLN 23 -4.521 -3.817 -7.578 199 HB2 GLN 23 2HB GLN 23 -3.320 -5.717 -8.754 200 HB3 GLN 23 3HB GLN 23 -2.409 -5.959 -7.270 201 HG2 GLN 23 2HG GLN 23 -4.075 -7.499 -7.029 202 HG3 GLN 23 3HG GLN 23 -4.760 -6.117 -6.177 203 HE21 GLN 23 1HE2 GLN 23 -5.199 -4.800 -8.861 204 HE22 GLN 23 2HE2 GLN 23 -6.645 -5.531 -9.459 205 H ALA 24 H ALA 24 -1.314 -4.180 -6.095 206 HA ALA 24 HA ALA 24 -2.152 -4.415 -3.440 207 HB1 ALA 24 3HB ALA 24 0.135 -4.880 -4.159 208 HB2 ALA 24 1HB ALA 24 0.105 -3.719 -2.830 209 HB3 ALA 24 2HB ALA 24 0.388 -3.165 -4.482 210 H LYS 25 H LYS 25 -1.378 -1.548 -5.377 211 HA LYS 25 HA LYS 25 -1.645 0.441 -3.499 212 HB2 LYS 25 2HB LYS 25 -0.949 0.925 -5.766 213 HB3 LYS 25 3HB LYS 25 -2.518 0.436 -6.393 214 HG2 LYS 25 2HG LYS 25 -3.572 2.307 -5.259 215 HG3 LYS 25 3HG LYS 25 -2.015 2.791 -4.590 216 HD2 LYS 25 2HD LYS 25 -1.167 3.103 -6.891 217 HD3 LYS 25 3HD LYS 25 -2.774 2.711 -7.507 218 HE2 LYS 25 2HE LYS 25 -2.179 4.973 -5.609 219 HE3 LYS 25 3HE LYS 25 -2.290 5.153 -7.358 220 HZ1 LYS 25 3HZ LYS 25 -4.591 4.422 -7.259 221 HZ2 LYS 25 1HZ LYS 25 -4.352 5.760 -6.248 222 HZ3 LYS 25 2HZ LYS 25 -4.487 4.215 -5.570 223 H ALA 26 H ALA 26 -4.230 -1.059 -5.428 224 HA ALA 26 HA ALA 26 -6.370 0.429 -4.429 225 HB1 ALA 26 3HB ALA 26 -6.540 -0.999 -6.404 226 HB2 ALA 26 1HB ALA 26 -7.794 -1.385 -5.228 227 HB3 ALA 26 2HB ALA 26 -6.385 -2.433 -5.389 228 H ARG 27 H ARG 27 -4.790 -2.468 -3.159 229 HA ARG 27 HA ARG 27 -6.719 -2.797 -1.054 230 HB2 ARG 27 2HB ARG 27 -5.425 -4.701 -1.959 231 HB3 ARG 27 3HB ARG 27 -3.953 -3.991 -1.311 232 HG2 ARG 27 2HG ARG 27 -4.617 -4.370 0.907 233 HG3 ARG 27 3HG ARG 27 -6.291 -4.680 0.441 234 HD2 ARG 27 2HD ARG 27 -3.920 -6.415 -0.254 235 HD3 ARG 27 3HD ARG 27 -5.097 -6.747 1.018 236 HE ARG 27 HE ARG 27 -6.061 -6.450 -1.733 237 HH11 ARG 27 1HH1 ARG 27 -5.387 -8.548 0.999 238 HH12 ARG 27 2HH1 ARG 27 -6.341 -9.857 0.380 239 HH21 ARG 27 1HH2 ARG 27 -7.304 -8.165 -2.541 240 HH22 ARG 27 2HH2 ARG 27 -7.429 -9.653 -1.642 241 H ILE 28 H ILE 28 -3.526 -1.299 -1.350 242 HA ILE 28 HA ILE 28 -3.013 -0.782 1.353 243 HB ILE 28 HB ILE 28 -2.271 0.907 -1.048 244 HG12 ILE 28 2HG1 ILE 28 -0.613 -1.140 0.432 245 HG13 ILE 28 3HG1 ILE 28 -1.506 -1.490 -1.044 246 HG21 ILE 28 1HG2 ILE 28 -2.082 2.193 1.000 247 HG22 ILE 28 2HG2 ILE 28 -0.477 1.798 0.379 248 HG23 ILE 28 3HG2 ILE 28 -1.139 0.904 1.749 249 HD11 ILE 28 3HD1 ILE 28 0.852 -1.066 -1.476 250 HD12 ILE 28 1HD1 ILE 28 0.691 0.545 -0.775 251 HD13 ILE 28 2HD1 ILE 28 -0.180 0.135 -2.253 252 H GLU 29 H GLU 29 -4.562 1.302 -1.074 253 HA GLU 29 HA GLU 29 -5.202 3.358 0.765 254 HB2 GLU 29 2HB GLU 29 -6.364 2.759 -1.967 255 HB3 GLU 29 3HB GLU 29 -6.564 4.271 -1.080 256 HG2 GLU 29 2HG GLU 29 -4.188 4.688 -1.172 257 HG3 GLU 29 3HG GLU 29 -3.910 3.128 -1.938 258 H GLN 30 H GLN 30 -6.841 0.459 -0.289 259 HA GLN 30 HA GLN 30 -9.357 0.935 0.912 260 HB2 GLN 30 2HB GLN 30 -8.942 -0.915 -0.657 261 HB3 GLN 30 3HB GLN 30 -7.861 -1.663 0.508 262 HG2 GLN 30 2HG GLN 30 -9.790 -1.865 2.069 263 HG3 GLN 30 3HG GLN 30 -10.834 -1.288 0.770 264 HE21 GLN 30 1HE2 GLN 30 -8.889 -3.913 1.938 265 HE22 GLN 30 2HE2 GLN 30 -9.444 -5.097 0.811 266 H LEU 31 H LEU 31 -6.358 -0.521 2.123 267 HA LEU 31 HA LEU 31 -7.322 -1.191 4.687 268 HB2 LEU 31 2HB LEU 31 -4.506 -0.610 3.765 269 HB3 LEU 31 3HB LEU 31 -4.925 -1.324 5.310 270 HG LEU 31 HG LEU 31 -5.582 -2.585 2.645 271 HD11 LEU 31 1HD1 LEU 31 -3.726 -4.084 3.026 272 HD12 LEU 31 2HD1 LEU 31 -3.318 -3.245 4.523 273 HD13 LEU 31 3HD1 LEU 31 -3.155 -2.419 2.972 274 HD21 LEU 31 3HD2 LEU 31 -5.653 -3.651 5.464 275 HD22 LEU 31 1HD2 LEU 31 -5.942 -4.598 4.004 276 HD23 LEU 31 2HD2 LEU 31 -7.044 -3.294 4.443 277 H ALA 32 H ALA 32 -5.963 1.755 3.356 278 HA ALA 32 HA ALA 32 -5.592 3.117 5.803 279 HB1 ALA 32 3HB ALA 32 -4.583 3.857 3.703 280 HB2 ALA 32 1HB ALA 32 -5.517 5.145 4.465 281 HB3 ALA 32 2HB ALA 32 -6.179 4.272 3.083 282 H ARG 33 H ARG 33 -8.363 2.776 3.643 283 HA ARG 33 HA ARG 33 -10.094 4.553 4.972 284 HB2 ARG 33 2HB ARG 33 -10.719 2.036 3.420 285 HB3 ARG 33 3HB ARG 33 -11.926 3.198 3.951 286 HG2 ARG 33 2HG ARG 33 -9.651 3.777 2.067 287 HG3 ARG 33 3HG ARG 33 -11.331 3.498 1.600 288 HD2 ARG 33 2HD ARG 33 -11.995 5.454 2.954 289 HD3 ARG 33 3HD ARG 33 -10.296 5.750 3.323 290 HE ARG 33 HE ARG 33 -10.568 5.636 0.546 291 HH11 ARG 33 1HH1 ARG 33 -11.555 7.679 3.224 292 HH12 ARG 33 2HH1 ARG 33 -11.635 9.123 2.254 293 HH21 ARG 33 1HH2 ARG 33 -10.645 7.525 -0.722 294 HH22 ARG 33 2HH2 ARG 33 -11.128 9.037 0.002 295 H GLN 34 H GLN 34 -9.314 1.154 5.535 296 HA GLN 34 HA GLN 34 -11.177 0.803 7.665 297 HB2 GLN 34 2HB GLN 34 -8.631 -0.714 7.066 298 HB3 GLN 34 3HB GLN 34 -9.870 -1.222 8.201 299 HG2 GLN 34 2HG GLN 34 -11.480 -1.336 6.327 300 HG3 GLN 34 3HG GLN 34 -10.165 -0.947 5.221 301 HE21 GLN 34 1HE2 GLN 34 -8.234 -2.523 6.806 302 HE22 GLN 34 2HE2 GLN 34 -8.580 -4.179 6.434 303 H ALA 35 H ALA 35 -7.883 1.944 7.426 304 HA ALA 35 HA ALA 35 -7.443 2.002 10.270 305 HB1 ALA 35 3HB ALA 35 -5.571 1.670 8.730 306 HB2 ALA 35 1HB ALA 35 -5.340 3.114 9.715 307 HB3 ALA 35 2HB ALA 35 -5.853 3.268 8.037 308 H GLU 36 H GLU 36 -9.215 3.869 8.177 309 HA GLU 36 HA GLU 36 -10.426 5.766 8.458 310 HB2 GLU 36 2HB GLU 36 -9.383 5.676 11.298 311 HB3 GLU 36 3HB GLU 36 -10.696 6.695 10.725 312 HG2 GLU 36 2HG GLU 36 -11.980 4.674 10.153 313 HG3 GLU 36 3HG GLU 36 -10.675 3.689 10.809 314 H GLN 37 H GLN 37 -7.788 5.898 7.437 315 HA GLN 37 HA GLN 37 -7.122 8.669 8.136 316 HB2 GLN 37 2HB GLN 37 -4.683 8.009 7.786 317 HB3 GLN 37 3HB GLN 37 -5.439 7.481 9.284 318 HG2 GLN 37 2HG GLN 37 -5.870 5.275 8.179 319 HG3 GLN 37 3HG GLN 37 -4.882 5.833 6.832 320 HE21 GLN 37 1HE2 GLN 37 -2.681 5.962 7.069 321 HE22 GLN 37 2HE2 GLN 37 -1.845 5.284 8.427 322 H ASP 38 H ASP 38 -6.442 9.954 6.446 323 HA ASP 38 HA ASP 38 -7.097 8.961 3.791 324 HB2 ASP 38 2HB ASP 38 -6.264 11.718 4.730 325 HB3 ASP 38 3HB ASP 38 -6.766 11.323 3.092 326 H ILE 39 H ILE 39 -4.430 9.096 5.722 327 HA ILE 39 HA ILE 39 -2.546 9.388 3.479 328 HB ILE 39 HB ILE 39 -1.942 9.598 6.435 329 HG12 ILE 39 2HG1 ILE 39 -2.226 11.863 4.451 330 HG13 ILE 39 3HG1 ILE 39 -3.487 11.393 5.586 331 HG21 ILE 39 1HG2 ILE 39 -0.037 8.966 5.065 332 HG22 ILE 39 2HG2 ILE 39 0.157 10.605 5.683 333 HG23 ILE 39 3HG2 ILE 39 -0.322 10.345 4.007 334 HD11 ILE 39 3HD1 ILE 39 -2.234 13.306 6.397 335 HD12 ILE 39 1HD1 ILE 39 -0.738 12.377 6.312 336 HD13 ILE 39 2HD1 ILE 39 -2.002 11.910 7.449 337 H VAL 40 H VAL 40 -1.305 7.659 2.932 338 HA VAL 40 HA VAL 40 -1.704 5.239 4.531 339 HB VAL 40 HB VAL 40 -0.983 3.938 2.645 340 HG11 VAL 40 1HG1 VAL 40 -3.306 4.640 2.639 341 HG12 VAL 40 2HG1 VAL 40 -2.685 4.518 0.994 342 HG13 VAL 40 3HG1 VAL 40 -2.881 6.101 1.747 343 HG21 VAL 40 3HG2 VAL 40 -0.376 5.004 0.487 344 HG22 VAL 40 1HG2 VAL 40 0.796 5.294 1.774 345 HG23 VAL 40 2HG2 VAL 40 -0.339 6.563 1.312 346 H THR 41 H THR 41 -0.101 4.233 5.564 347 HA THR 41 HA THR 41 2.527 5.518 5.548 348 HB THR 41 HB THR 41 2.894 4.090 7.612 349 HG1 THR 41 HG1 THR 41 0.890 3.302 8.565 350 HG21 THR 41 3HG2 THR 41 1.530 5.523 9.062 351 HG22 THR 41 1HG2 THR 41 0.566 6.017 7.669 352 HG23 THR 41 2HG2 THR 41 2.272 6.458 7.760 353 HA PRO 42 HA PRO 42 4.624 2.263 3.463 354 HB2 PRO 42 2HB PRO 42 6.680 1.644 5.206 355 HB3 PRO 42 3HB PRO 42 6.692 3.009 4.084 356 HG2 PRO 42 2HG PRO 42 6.011 2.953 6.997 357 HG3 PRO 42 3HG PRO 42 6.958 4.149 6.092 358 HD2 PRO 42 2HD PRO 42 4.420 4.628 6.778 359 HD3 PRO 42 3HD PRO 42 5.061 5.163 5.209 360 H GLU 43 H GLU 43 3.601 1.757 6.746 361 HA GLU 43 HA GLU 43 4.132 -1.022 6.922 362 HB2 GLU 43 2HB GLU 43 1.888 0.309 8.404 363 HB3 GLU 43 3HB GLU 43 2.947 -0.987 8.937 364 HG2 GLU 43 2HG GLU 43 3.676 1.910 8.610 365 HG3 GLU 43 3HG GLU 43 3.449 1.041 10.124 366 H LEU 44 H LEU 44 1.307 0.875 5.991 367 HA LEU 44 HA LEU 44 -0.430 -1.321 5.575 368 HB2 LEU 44 2HB LEU 44 -0.436 1.550 4.740 369 HB3 LEU 44 3HB LEU 44 -1.567 0.445 3.989 370 HG LEU 44 HG LEU 44 -2.551 -0.068 6.168 371 HD11 LEU 44 1HD1 LEU 44 -1.926 1.247 8.144 372 HD12 LEU 44 2HD1 LEU 44 -0.567 1.928 7.245 373 HD13 LEU 44 3HD1 LEU 44 -0.618 0.199 7.594 374 HD21 LEU 44 3HD2 LEU 44 -3.475 1.760 4.874 375 HD22 LEU 44 1HD2 LEU 44 -2.325 2.881 5.601 376 HD23 LEU 44 2HD2 LEU 44 -3.565 2.122 6.597 377 H VAL 45 H VAL 45 1.762 0.477 3.470 378 HA VAL 45 HA VAL 45 1.151 -0.862 1.069 379 HB VAL 45 HB VAL 45 3.848 0.225 1.904 380 HG11 VAL 45 1HG1 VAL 45 2.669 -0.315 -0.820 381 HG12 VAL 45 2HG1 VAL 45 3.987 -1.202 -0.052 382 HG13 VAL 45 3HG1 VAL 45 4.213 0.484 -0.518 383 HG21 VAL 45 3HG2 VAL 45 1.559 1.594 0.500 384 HG22 VAL 45 1HG2 VAL 45 3.159 2.286 0.769 385 HG23 VAL 45 2HG2 VAL 45 2.115 1.915 2.144 386 H GLU 46 H GLU 46 3.534 -1.545 3.590 387 HA GLU 46 HA GLU 46 4.692 -3.843 2.510 388 HB2 GLU 46 2HB GLU 46 5.454 -2.539 4.531 389 HB3 GLU 46 3HB GLU 46 4.166 -3.316 5.440 390 HG2 GLU 46 2HG GLU 46 6.152 -4.501 5.899 391 HG3 GLU 46 3HG GLU 46 5.195 -5.515 4.820 392 H GLN 47 H GLN 47 2.019 -3.541 4.835 393 HA GLN 47 HA GLN 47 1.377 -6.205 5.132 394 HB2 GLN 47 2HB GLN 47 -0.264 -3.700 5.291 395 HB3 GLN 47 3HB GLN 47 -1.009 -5.275 5.527 396 HG2 GLN 47 2HG GLN 47 1.314 -4.216 7.117 397 HG3 GLN 47 3HG GLN 47 -0.371 -4.172 7.633 398 HE21 GLN 47 1HE2 GLN 47 -1.004 -6.773 6.497 399 HE22 GLN 47 2HE2 GLN 47 -0.263 -7.942 7.542 400 H ALA 48 H ALA 48 0.107 -3.924 2.717 401 HA ALA 48 HA ALA 48 -1.664 -5.755 1.516 402 HB1 ALA 48 3HB ALA 48 -1.839 -3.346 1.190 403 HB2 ALA 48 1HB ALA 48 -1.748 -4.198 -0.352 404 HB3 ALA 48 2HB ALA 48 -0.331 -3.355 0.276 405 H ARG 49 H ARG 49 1.762 -5.093 0.996 406 HA ARG 49 HA ARG 49 1.952 -6.621 -1.402 407 HB2 ARG 49 2HB ARG 49 3.649 -4.932 -0.761 408 HB3 ARG 49 3HB ARG 49 4.149 -5.962 0.576 409 HG2 ARG 49 2HG ARG 49 4.855 -7.683 -0.962 410 HG3 ARG 49 3HG ARG 49 4.246 -6.749 -2.329 411 HD2 ARG 49 2HD ARG 49 6.647 -6.530 -2.176 412 HD3 ARG 49 3HD ARG 49 5.879 -4.986 -1.832 413 HE ARG 49 HE ARG 49 6.245 -6.020 0.631 414 HH11 ARG 49 1HH1 ARG 49 8.397 -5.642 -2.114 415 HH12 ARG 49 2HH1 ARG 49 9.805 -5.397 -1.120 416 HH21 ARG 49 1HH2 ARG 49 8.091 -5.703 1.922 417 HH22 ARG 49 2HH2 ARG 49 9.639 -5.442 1.152 418 H LEU 50 H LEU 50 2.401 -7.336 2.029 419 HA LEU 50 HA LEU 50 3.189 -10.040 1.572 420 HB2 LEU 50 2HB LEU 50 2.619 -8.354 3.910 421 HB3 LEU 50 3HB LEU 50 2.272 -10.062 4.126 422 HG LEU 50 HG LEU 50 4.526 -9.575 4.880 423 HD11 LEU 50 1HD1 LEU 50 5.741 -11.202 3.494 424 HD12 LEU 50 2HD1 LEU 50 4.471 -11.094 2.274 425 HD13 LEU 50 3HD1 LEU 50 4.106 -11.749 3.871 426 HD21 LEU 50 3HD2 LEU 50 6.243 -8.775 3.363 427 HD22 LEU 50 1HD2 LEU 50 4.934 -7.598 3.473 428 HD23 LEU 50 2HD2 LEU 50 5.059 -8.648 2.060 429 H GLU 51 H GLU 51 0.122 -8.409 1.996 430 HA GLU 51 HA GLU 51 -1.577 -10.576 2.327 431 HB2 GLU 51 2HB GLU 51 -1.874 -8.040 0.726 432 HB3 GLU 51 3HB GLU 51 -3.161 -9.236 0.793 433 HG2 GLU 51 2HG GLU 51 -1.968 -7.869 3.195 434 HG3 GLU 51 3HG GLU 51 -3.450 -7.369 2.379 435 H PHE 52 H PHE 52 -0.295 -9.220 -0.693 436 HA PHE 52 HA PHE 52 -1.437 -11.356 -2.258 437 HB2 PHE 52 2HB PHE 52 0.406 -9.074 -2.983 438 HB3 PHE 52 3HB PHE 52 -0.194 -10.253 -4.148 439 HD1 PHE 52 HD1 PHE 52 -2.700 -10.458 -4.456 440 HD2 PHE 52 HD2 PHE 52 -0.874 -7.209 -2.401 441 HE1 PHE 52 HE1 PHE 52 -4.737 -9.117 -4.773 442 HE2 PHE 52 HE2 PHE 52 -2.909 -5.863 -2.714 443 HZ PHE 52 HZ PHE 52 -4.844 -6.816 -3.901 444 H GLY 53 H GLY 53 1.579 -10.679 -0.717 445 HA2 GLY 53 2HA GLY 53 3.211 -12.505 -2.119 446 HA3 GLY 53 3HA GLY 53 3.485 -11.931 -0.479 447 H GLN 54 H GLN 54 1.065 -12.890 0.654 448 HA GLN 54 HA GLN 54 1.792 -15.692 0.902 449 HB2 GLN 54 2HB GLN 54 -0.116 -13.968 2.486 450 HB3 GLN 54 3HB GLN 54 0.188 -15.668 2.816 451 HG2 GLN 54 2HG GLN 54 2.205 -13.434 2.948 452 HG3 GLN 54 3HG GLN 54 1.481 -14.282 4.314 453 HE21 GLN 54 1HE2 GLN 54 2.096 -16.400 4.753 454 HE22 GLN 54 2HE2 GLN 54 3.545 -17.090 4.096 455 H LEU 55 H LEU 55 -0.843 -13.738 -0.328 456 HA LEU 55 HA LEU 55 -2.623 -15.959 -0.693 457 HB2 LEU 55 2HB LEU 55 -2.612 -13.168 -1.831 458 HB3 LEU 55 3HB LEU 55 -3.849 -14.350 -2.209 459 HG LEU 55 HG LEU 55 -3.252 -13.312 0.565 460 HD11 LEU 55 1HD1 LEU 55 -4.174 -11.576 -0.876 461 HD12 LEU 55 2HD1 LEU 55 -5.347 -12.085 0.337 462 HD13 LEU 55 3HD1 LEU 55 -5.499 -12.645 -1.328 463 HD21 LEU 55 3HD2 LEU 55 -4.170 -15.543 0.640 464 HD22 LEU 55 1HD2 LEU 55 -5.441 -15.093 -0.499 465 HD23 LEU 55 2HD2 LEU 55 -5.414 -14.385 1.114 466 H GLU 56 H GLU 56 -1.195 -13.830 -3.159 467 HA GLU 56 HA GLU 56 -0.593 -14.191 -5.321 468 HB2 GLU 56 2HB GLU 56 1.032 -15.660 -3.722 469 HB3 GLU 56 3HB GLU 56 0.372 -16.937 -4.729 470 HG2 GLU 56 2HG GLU 56 1.604 -14.470 -5.909 471 HG3 GLU 56 3HG GLU 56 2.573 -15.863 -5.440 472 H HIS 57 H HIS 57 -0.457 -16.979 -6.482 473 HA HIS 57 HA HIS 57 -1.765 -18.348 -7.727 474 HB2 HIS 57 2HB HIS 57 -2.197 -19.217 -5.425 475 HB3 HIS 57 3HB HIS 57 -3.619 -18.187 -5.339 476 HD1 HIS 57 HD1 HIS 57 -5.722 -19.313 -5.931 477 HD2 HIS 57 HD2 HIS 57 -2.434 -21.099 -7.747 478 HE1 HIS 57 HE1 HIS 57 -6.632 -21.311 -7.172 479 HE2 HIS 57 HE2 HIS 57 -4.604 -22.434 -8.180 480 H HIS 58 H HIS 58 -2.020 -15.998 -8.790 481 HA HIS 58 HA HIS 58 -4.604 -14.889 -8.886 482 HB2 HIS 58 2HB HIS 58 -3.912 -13.904 -11.063 483 HB3 HIS 58 3HB HIS 58 -2.736 -13.637 -9.782 484 HD1 HIS 58 HD1 HIS 58 -3.016 -14.775 -13.200 485 HD2 HIS 58 HD2 HIS 58 -0.439 -15.492 -10.016 486 HE1 HIS 58 HE1 HIS 58 -0.949 -15.774 -14.213 487 HE2 HIS 58 HE2 HIS 58 0.671 -16.004 -12.295 488 H HIS 59 H HIS 59 -6.386 -15.955 -9.388 489 HA HIS 59 HA HIS 59 -6.166 -18.214 -11.256 490 HB2 HIS 59 2HB HIS 59 -6.917 -18.810 -8.994 491 HB3 HIS 59 3HB HIS 59 -8.255 -17.675 -9.136 492 HD1 HIS 59 HD1 HIS 59 -10.393 -18.613 -9.976 493 HD2 HIS 59 HD2 HIS 59 -7.135 -21.001 -10.989 494 HE1 HIS 59 HE1 HIS 59 -11.361 -20.664 -11.068 495 HE2 HIS 59 HE2 HIS 59 -9.388 -22.158 -11.546 496 H HIS 60 H HIS 60 -6.767 -17.763 -13.205 497 HA HIS 60 HA HIS 60 -7.952 -17.083 -15.004 498 HB2 HIS 60 2HB HIS 60 -9.659 -18.474 -13.743 499 HB3 HIS 60 3HB HIS 60 -10.334 -16.963 -13.151 500 HD1 HIS 60 HD1 HIS 60 -12.387 -16.445 -14.412 501 HD2 HIS 60 HD2 HIS 60 -9.462 -18.126 -16.848 502 HE1 HIS 60 HE1 HIS 60 -13.362 -16.468 -16.734 503 HE2 HIS 60 HE2 HIS 60 -11.537 -17.390 -18.211 504 H HIS 61 H HIS 61 -6.688 -15.008 -13.383 505 HA HIS 61 HA HIS 61 -8.439 -12.722 -13.506 506 HB2 HIS 61 2HB HIS 61 -6.447 -12.940 -11.936 507 HB3 HIS 61 3HB HIS 61 -5.417 -12.670 -13.339 508 HD1 HIS 61 HD1 HIS 61 -4.833 -10.285 -13.781 509 HD2 HIS 61 HD2 HIS 61 -8.314 -10.668 -11.526 510 HE1 HIS 61 HE1 HIS 61 -5.516 -7.942 -13.174 511 HE2 HIS 61 HE2 HIS 61 -7.608 -8.191 -11.785 512 H HIS 62 H HIS 62 -6.116 -14.313 -15.507 513 HA HIS 62 HA HIS 62 -6.704 -12.447 -17.700 514 HB2 HIS 62 2HB HIS 62 -4.325 -12.531 -17.292 515 HB3 HIS 62 3HB HIS 62 -4.345 -14.290 -17.253 516 HD1 HIS 62 HD1 HIS 62 -4.920 -11.466 -19.741 517 HD2 HIS 62 HD2 HIS 62 -3.795 -15.471 -19.639 518 HE1 HIS 62 HE1 HIS 62 -4.243 -12.045 -22.093 519 HE2 HIS 62 HE2 HIS 62 -3.348 -14.397 -21.951 Start of MODEL 6 1 H1 MET 1 1H MET 1 -11.313 9.095 -6.105 2 H2 MET 1 2H MET 1 -9.762 9.706 -5.797 3 H3 MET 1 3H MET 1 -10.398 8.482 -4.814 4 HA MET 1 HA MET 1 -10.460 6.995 -6.756 5 HB2 MET 1 2HB MET 1 -8.886 9.255 -8.010 6 HB3 MET 1 3HB MET 1 -9.073 7.651 -8.706 7 HG2 MET 1 2HG MET 1 -11.485 7.998 -8.864 8 HG3 MET 1 3HG MET 1 -11.299 9.609 -8.169 9 HE1 MET 1 3HE MET 1 -12.816 9.076 -10.903 10 HE2 MET 1 1HE MET 1 -12.181 10.384 -11.904 11 HE3 MET 1 2HE MET 1 -12.597 10.686 -10.216 12 H ASN 2 H ASN 2 -8.241 8.935 -4.989 13 HA ASN 2 HA ASN 2 -6.623 6.588 -4.455 14 HB2 ASN 2 2HB ASN 2 -4.492 7.680 -4.943 15 HB3 ASN 2 3HB ASN 2 -5.481 7.635 -6.397 16 HD21 ASN 2 1HD2 ASN 2 -4.015 9.646 -3.985 17 HD22 ASN 2 2HD2 ASN 2 -4.348 11.158 -4.760 18 H LEU 3 H LEU 3 -4.931 7.168 -2.735 19 HA LEU 3 HA LEU 3 -6.036 9.245 -0.950 20 HB2 LEU 3 2HB LEU 3 -4.664 6.646 -0.270 21 HB3 LEU 3 3HB LEU 3 -4.980 7.910 0.905 22 HG LEU 3 HG LEU 3 -7.042 6.324 -0.625 23 HD11 LEU 3 1HD1 LEU 3 -5.990 5.105 1.203 24 HD12 LEU 3 2HD1 LEU 3 -7.666 5.496 1.583 25 HD13 LEU 3 3HD1 LEU 3 -6.358 6.428 2.311 26 HD21 LEU 3 3HD2 LEU 3 -7.761 8.644 -0.339 27 HD22 LEU 3 1HD2 LEU 3 -7.439 8.534 1.393 28 HD23 LEU 3 2HD2 LEU 3 -8.707 7.547 0.667 29 H ARG 4 H ARG 4 -4.142 9.718 0.792 30 HA ARG 4 HA ARG 4 -2.055 10.918 -0.841 31 HB2 ARG 4 2HB ARG 4 -2.570 11.208 2.124 32 HB3 ARG 4 3HB ARG 4 -1.507 12.208 1.141 33 HG2 ARG 4 2HG ARG 4 -3.429 13.021 -0.124 34 HG3 ARG 4 3HG ARG 4 -4.498 12.015 0.858 35 HD2 ARG 4 2HD ARG 4 -3.701 13.235 2.865 36 HD3 ARG 4 3HD ARG 4 -2.786 14.305 1.802 37 HE ARG 4 HE ARG 4 -5.632 14.088 1.244 38 HH11 ARG 4 1HH1 ARG 4 -3.022 15.894 2.729 39 HH12 ARG 4 2HH1 ARG 4 -3.972 17.339 2.943 40 HH21 ARG 4 1HH2 ARG 4 -6.894 15.960 1.559 41 HH22 ARG 4 2HH2 ARG 4 -6.199 17.359 2.316 42 H TRP 5 H TRP 5 0.026 10.306 -0.860 43 HA TRP 5 HA TRP 5 0.672 7.930 0.751 44 HB2 TRP 5 2HB TRP 5 1.634 8.776 -1.985 45 HB3 TRP 5 3HB TRP 5 2.385 7.477 -1.062 46 HD1 TRP 5 HD1 TRP 5 -1.204 8.334 -2.324 47 HE1 TRP 5 HE1 TRP 5 -2.339 6.128 -3.028 48 HE3 TRP 5 HE3 TRP 5 2.548 5.084 -1.114 49 HZ2 TRP 5 HZ2 TRP 5 -1.710 3.377 -3.066 50 HZ3 TRP 5 HZ3 TRP 5 2.200 2.680 -1.509 51 HH2 TRP 5 HH2 TRP 5 0.114 1.847 -2.464 52 H THR 6 H THR 6 2.296 8.016 2.154 53 HA THR 6 HA THR 6 3.796 10.401 2.569 54 HB THR 6 HB THR 6 5.109 8.952 4.184 55 HG1 THR 6 HG1 THR 6 3.125 6.989 3.938 56 HG21 THR 6 3HG2 THR 6 2.102 8.908 4.486 57 HG22 THR 6 1HG2 THR 6 3.154 10.264 4.897 58 HG23 THR 6 2HG2 THR 6 3.282 8.747 5.788 59 H SER 7 H SER 7 6.161 10.527 2.485 60 HA SER 7 HA SER 7 7.232 9.865 0.006 61 HB2 SER 7 2HB SER 7 8.818 10.320 2.544 62 HB3 SER 7 3HB SER 7 9.343 10.628 0.887 63 HG SER 7 HG SER 7 7.979 12.345 0.757 64 H GLU 8 H GLU 8 7.474 8.225 3.109 65 HA GLU 8 HA GLU 8 9.250 6.184 2.326 66 HB2 GLU 8 2HB GLU 8 7.109 5.987 4.449 67 HB3 GLU 8 3HB GLU 8 8.575 5.029 4.337 68 HG2 GLU 8 2HG GLU 8 9.009 6.566 6.027 69 HG3 GLU 8 3HG GLU 8 9.832 7.229 4.617 70 H ALA 9 H ALA 9 5.704 6.334 2.434 71 HA ALA 9 HA ALA 9 5.178 3.687 1.689 72 HB1 ALA 9 3HB ALA 9 2.949 4.440 1.112 73 HB2 ALA 9 1HB ALA 9 3.497 6.117 1.086 74 HB3 ALA 9 2HB ALA 9 3.484 5.217 2.605 75 H LYS 10 H LYS 10 5.636 6.592 -0.276 76 HA LYS 10 HA LYS 10 5.136 5.529 -2.792 77 HB2 LYS 10 2HB LYS 10 7.135 7.627 -1.934 78 HB3 LYS 10 3HB LYS 10 6.736 7.287 -3.612 79 HG2 LYS 10 2HG LYS 10 4.472 7.984 -3.289 80 HG3 LYS 10 3HG LYS 10 4.715 8.130 -1.548 81 HD2 LYS 10 2HD LYS 10 6.289 9.950 -1.896 82 HD3 LYS 10 3HD LYS 10 6.134 9.772 -3.645 83 HE2 LYS 10 2HE LYS 10 3.834 10.432 -1.810 84 HE3 LYS 10 3HE LYS 10 4.794 11.645 -2.658 85 HZ1 LYS 10 3HZ LYS 10 4.102 10.744 -4.752 86 HZ2 LYS 10 1HZ LYS 10 2.719 11.052 -3.822 87 HZ3 LYS 10 2HZ LYS 10 3.283 9.462 -4.000 88 H THR 11 H THR 11 8.215 5.607 -0.995 89 HA THR 11 HA THR 11 9.771 4.239 -2.886 90 HB THR 11 HB THR 11 10.105 4.107 0.118 91 HG1 THR 11 HG1 THR 11 11.198 6.039 -0.041 92 HG21 THR 11 3HG2 THR 11 11.543 2.569 -1.114 93 HG22 THR 11 1HG2 THR 11 12.494 3.885 -0.431 94 HG23 THR 11 2HG2 THR 11 12.093 3.887 -2.149 95 H LYS 12 H LYS 12 7.832 3.040 -0.174 96 HA LYS 12 HA LYS 12 8.586 0.327 -0.433 97 HB2 LYS 12 2HB LYS 12 6.186 1.621 0.866 98 HB3 LYS 12 3HB LYS 12 6.551 -0.097 0.986 99 HG2 LYS 12 2HG LYS 12 8.506 2.026 1.817 100 HG3 LYS 12 3HG LYS 12 7.289 1.367 2.911 101 HD2 LYS 12 2HD LYS 12 9.082 -0.482 1.401 102 HD3 LYS 12 3HD LYS 12 9.681 0.332 2.850 103 HE2 LYS 12 2HE LYS 12 7.051 -0.810 3.263 104 HE3 LYS 12 3HE LYS 12 8.216 -2.031 2.746 105 HZ1 LYS 12 3HZ LYS 12 9.683 -1.299 4.548 106 HZ2 LYS 12 1HZ LYS 12 8.192 -1.851 5.136 107 HZ3 LYS 12 2HZ LYS 12 8.505 -0.189 5.063 108 H LEU 13 H LEU 13 6.025 2.243 -1.899 109 HA LEU 13 HA LEU 13 4.564 0.104 -3.024 110 HB2 LEU 13 2HB LEU 13 3.695 2.399 -2.882 111 HB3 LEU 13 3HB LEU 13 4.900 2.936 -4.034 112 HG LEU 13 HG LEU 13 3.866 1.498 -5.763 113 HD11 LEU 13 1HD1 LEU 13 2.896 -0.200 -4.309 114 HD12 LEU 13 2HD1 LEU 13 1.668 0.515 -5.354 115 HD13 LEU 13 3HD1 LEU 13 1.769 0.987 -3.659 116 HD21 LEU 13 3HD2 LEU 13 3.229 3.849 -5.560 117 HD22 LEU 13 1HD2 LEU 13 1.951 3.406 -4.425 118 HD23 LEU 13 2HD2 LEU 13 1.873 2.862 -6.101 119 H LYS 14 H LYS 14 7.417 1.861 -4.059 120 HA LYS 14 HA LYS 14 7.516 0.795 -6.693 121 HB2 LYS 14 2HB LYS 14 9.749 1.933 -5.003 122 HB3 LYS 14 3HB LYS 14 9.792 1.698 -6.746 123 HG2 LYS 14 2HG LYS 14 8.042 3.323 -7.053 124 HG3 LYS 14 3HG LYS 14 7.856 3.497 -5.308 125 HD2 LYS 14 2HD LYS 14 10.192 4.315 -5.190 126 HD3 LYS 14 3HD LYS 14 10.270 4.244 -6.953 127 HE2 LYS 14 2HE LYS 14 8.431 5.836 -7.108 128 HE3 LYS 14 3HE LYS 14 8.311 5.884 -5.351 129 HZ1 LYS 14 3HZ LYS 14 9.518 7.780 -6.124 130 HZ2 LYS 14 1HZ LYS 14 10.603 6.809 -6.997 131 HZ3 LYS 14 2HZ LYS 14 10.593 6.762 -5.302 132 H ASN 15 H ASN 15 8.246 -0.549 -3.647 133 HA ASN 15 HA ASN 15 10.202 -2.451 -4.607 134 HB2 ASN 15 2HB ASN 15 8.687 -2.371 -1.986 135 HB3 ASN 15 3HB ASN 15 10.044 -3.429 -2.351 136 HD21 ASN 15 1HD2 ASN 15 9.814 -1.519 -0.231 137 HD22 ASN 15 2HD2 ASN 15 11.087 -0.367 -0.436 138 H ILE 16 H ILE 16 6.838 -2.167 -4.588 139 HA ILE 16 HA ILE 16 6.248 -4.994 -4.536 140 HB ILE 16 HB ILE 16 4.474 -2.666 -5.322 141 HG12 ILE 16 2HG1 ILE 16 4.734 -4.083 -2.660 142 HG13 ILE 16 3HG1 ILE 16 5.333 -2.467 -3.016 143 HG21 ILE 16 1HG2 ILE 16 3.773 -5.497 -4.558 144 HG22 ILE 16 2HG2 ILE 16 3.636 -4.782 -6.163 145 HG23 ILE 16 3HG2 ILE 16 2.618 -4.197 -4.849 146 HD11 ILE 16 3HD1 ILE 16 3.064 -1.690 -3.378 147 HD12 ILE 16 1HD1 ILE 16 3.233 -2.417 -1.779 148 HD13 ILE 16 2HD1 ILE 16 2.447 -3.315 -3.078 149 HA PRO 17 HA PRO 17 7.114 -5.799 -8.861 150 HB2 PRO 17 2HB PRO 17 4.823 -7.673 -8.544 151 HB3 PRO 17 3HB PRO 17 6.443 -7.981 -9.176 152 HG2 PRO 17 2HG PRO 17 5.741 -8.817 -6.741 153 HG3 PRO 17 3HG PRO 17 7.371 -8.197 -7.066 154 HD2 PRO 17 2HD PRO 17 5.088 -6.894 -5.660 155 HD3 PRO 17 3HD PRO 17 6.830 -6.765 -5.348 156 H PHE 18 H PHE 18 6.388 -4.734 -10.601 157 HA PHE 18 HA PHE 18 4.269 -2.965 -10.528 158 HB2 PHE 18 2HB PHE 18 6.064 -2.728 -12.131 159 HB3 PHE 18 3HB PHE 18 5.586 -4.216 -12.944 160 HD1 PHE 18 HD1 PHE 18 4.536 -0.749 -12.205 161 HD2 PHE 18 HD2 PHE 18 3.916 -4.209 -14.604 162 HE1 PHE 18 HE1 PHE 18 3.045 0.543 -13.677 163 HE2 PHE 18 HE2 PHE 18 2.426 -2.927 -16.076 164 HZ PHE 18 HZ PHE 18 1.987 -0.548 -15.616 165 H PHE 19 H PHE 19 4.273 -6.285 -11.700 166 HA PHE 19 HA PHE 19 1.833 -6.305 -13.048 167 HB2 PHE 19 2HB PHE 19 3.059 -8.564 -11.448 168 HB3 PHE 19 3HB PHE 19 1.834 -8.733 -12.699 169 HD1 PHE 19 HD2 PHE 19 2.436 -8.117 -15.072 170 HD2 PHE 19 HD1 PHE 19 5.340 -8.524 -11.985 171 HE1 PHE 19 HE2 PHE 19 4.202 -8.357 -16.768 172 HE2 PHE 19 HE1 PHE 19 7.111 -8.766 -13.677 173 HZ PHE 19 HZ PHE 19 6.543 -8.681 -16.072 174 H ALA 20 H ALA 20 2.518 -6.287 -9.645 175 HA ALA 20 HA ALA 20 -0.341 -6.728 -9.083 176 HB1 ALA 20 3HB ALA 20 1.088 -8.546 -8.243 177 HB2 ALA 20 1HB ALA 20 0.281 -7.668 -6.942 178 HB3 ALA 20 2HB ALA 20 1.987 -7.372 -7.280 179 H ARG 21 H ARG 21 1.686 -4.274 -9.416 180 HA ARG 21 HA ARG 21 1.605 -2.970 -6.906 181 HB2 ARG 21 2HB ARG 21 2.248 -2.107 -9.681 182 HB3 ARG 21 3HB ARG 21 1.906 -0.862 -8.485 183 HG2 ARG 21 2HG ARG 21 3.643 -2.415 -7.115 184 HG3 ARG 21 3HG ARG 21 4.230 -2.628 -8.766 185 HD2 ARG 21 2HD ARG 21 3.707 0.046 -7.476 186 HD3 ARG 21 3HD ARG 21 5.286 -0.733 -7.527 187 HE ARG 21 HE ARG 21 5.183 -0.537 -9.968 188 HH11 ARG 21 1HH1 ARG 21 2.977 1.438 -8.096 189 HH12 ARG 21 2HH1 ARG 21 2.856 2.678 -9.299 190 HH21 ARG 21 1HH2 ARG 21 5.055 1.109 -11.538 191 HH22 ARG 21 2HH2 ARG 21 4.051 2.501 -11.256 192 H SER 22 H SER 22 -0.438 -2.641 -9.792 193 HA SER 22 HA SER 22 -2.138 -0.660 -8.777 194 HB2 SER 22 2HB SER 22 -2.941 -2.871 -10.675 195 HB3 SER 22 3HB SER 22 -3.598 -1.235 -10.582 196 HG SER 22 HG SER 22 -2.114 -0.688 -11.948 197 H GLN 23 H GLN 23 -2.249 -4.172 -8.599 198 HA GLN 23 HA GLN 23 -4.744 -4.404 -7.295 199 HB2 GLN 23 2HB GLN 23 -3.678 -6.258 -8.492 200 HB3 GLN 23 3HB GLN 23 -2.363 -6.269 -7.326 201 HG2 GLN 23 2HG GLN 23 -3.864 -6.968 -5.579 202 HG3 GLN 23 3HG GLN 23 -5.241 -6.849 -6.674 203 HE21 GLN 23 1HE2 GLN 23 -2.391 -8.645 -5.844 204 HE22 GLN 23 2HE2 GLN 23 -2.777 -10.064 -6.750 205 H ALA 24 H ALA 24 -1.405 -4.412 -6.065 206 HA ALA 24 HA ALA 24 -2.058 -4.716 -3.350 207 HB1 ALA 24 3HB ALA 24 0.195 -5.101 -4.228 208 HB2 ALA 24 1HB ALA 24 0.203 -3.965 -2.878 209 HB3 ALA 24 2HB ALA 24 0.367 -3.371 -4.531 210 H LYS 25 H LYS 25 -1.396 -1.805 -5.274 211 HA LYS 25 HA LYS 25 -1.653 0.103 -3.270 212 HB2 LYS 25 2HB LYS 25 -0.815 0.711 -5.439 213 HB3 LYS 25 3HB LYS 25 -2.319 0.235 -6.212 214 HG2 LYS 25 2HG LYS 25 -3.482 2.056 -5.108 215 HG3 LYS 25 3HG LYS 25 -1.991 2.525 -4.291 216 HD2 LYS 25 2HD LYS 25 -0.951 3.069 -6.391 217 HD3 LYS 25 3HD LYS 25 -2.331 2.430 -7.286 218 HE2 LYS 25 2HE LYS 25 -2.379 4.808 -5.429 219 HE3 LYS 25 3HE LYS 25 -2.366 4.875 -7.191 220 HZ1 LYS 25 3HZ LYS 25 -4.535 4.025 -5.380 221 HZ2 LYS 25 1HZ LYS 25 -4.468 3.406 -6.961 222 HZ3 LYS 25 2HZ LYS 25 -4.591 5.073 -6.714 223 H ALA 26 H ALA 26 -4.127 -1.442 -5.256 224 HA ALA 26 HA ALA 26 -6.351 0.030 -4.469 225 HB1 ALA 26 3HB ALA 26 -7.679 -1.907 -5.111 226 HB2 ALA 26 1HB ALA 26 -6.237 -2.922 -5.088 227 HB3 ALA 26 2HB ALA 26 -6.386 -1.630 -6.279 228 H ARG 27 H ARG 27 -4.892 -2.853 -2.964 229 HA ARG 27 HA ARG 27 -6.790 -2.872 -0.821 230 HB2 ARG 27 2HB ARG 27 -5.619 -4.924 -1.504 231 HB3 ARG 27 3HB ARG 27 -4.094 -4.228 -0.973 232 HG2 ARG 27 2HG ARG 27 -4.717 -4.300 1.290 233 HG3 ARG 27 3HG ARG 27 -6.417 -4.567 0.895 234 HD2 ARG 27 2HD ARG 27 -4.160 -6.504 0.389 235 HD3 ARG 27 3HD ARG 27 -5.344 -6.616 1.694 236 HE ARG 27 HE ARG 27 -6.302 -6.569 -1.077 237 HH11 ARG 27 1HH1 ARG 27 -5.793 -8.336 1.910 238 HH12 ARG 27 2HH1 ARG 27 -6.849 -9.644 1.449 239 HH21 ARG 27 1HH2 ARG 27 -7.630 -8.302 -1.701 240 HH22 ARG 27 2HH2 ARG 27 -7.868 -9.643 -0.618 241 H ILE 28 H ILE 28 -3.511 -1.589 -1.204 242 HA ILE 28 HA ILE 28 -2.951 -0.934 1.441 243 HB ILE 28 HB ILE 28 -2.211 0.657 -1.024 244 HG12 ILE 28 2HG1 ILE 28 -0.590 -1.404 0.480 245 HG13 ILE 28 3HG1 ILE 28 -1.506 -1.760 -0.980 246 HG21 ILE 28 1HG2 ILE 28 -0.347 1.503 0.359 247 HG22 ILE 28 2HG2 ILE 28 -1.050 0.693 1.760 248 HG23 ILE 28 3HG2 ILE 28 -1.927 2.002 0.965 249 HD11 ILE 28 3HD1 ILE 28 0.780 0.186 -0.753 250 HD12 ILE 28 1HD1 ILE 28 -0.137 -0.160 -2.221 251 HD13 ILE 28 2HD1 ILE 28 0.842 -1.424 -1.475 252 H GLU 29 H GLU 29 -4.637 1.018 -1.006 253 HA GLU 29 HA GLU 29 -5.089 3.180 0.792 254 HB2 GLU 29 2HB GLU 29 -6.391 2.553 -1.865 255 HB3 GLU 29 3HB GLU 29 -6.531 4.079 -0.998 256 HG2 GLU 29 2HG GLU 29 -4.101 4.387 -1.164 257 HG3 GLU 29 3HG GLU 29 -3.981 2.879 -2.064 258 H GLN 30 H GLN 30 -6.917 0.302 -0.087 259 HA GLN 30 HA GLN 30 -9.304 1.047 1.260 260 HB2 GLN 30 2HB GLN 30 -8.152 -1.627 0.496 261 HB3 GLN 30 3HB GLN 30 -9.673 -1.480 1.364 262 HG2 GLN 30 2HG GLN 30 -10.594 -0.152 -0.462 263 HG3 GLN 30 3HG GLN 30 -9.068 -0.290 -1.333 264 HE21 GLN 30 1HE2 GLN 30 -8.511 -2.236 -2.274 265 HE22 GLN 30 2HE2 GLN 30 -9.660 -3.509 -2.530 266 H LEU 31 H LEU 31 -6.350 -0.584 2.299 267 HA LEU 31 HA LEU 31 -7.150 -1.260 4.907 268 HB2 LEU 31 2HB LEU 31 -4.406 -0.513 3.886 269 HB3 LEU 31 3HB LEU 31 -4.728 -1.272 5.433 270 HG LEU 31 HG LEU 31 -5.374 -2.528 2.766 271 HD11 LEU 31 1HD1 LEU 31 -3.424 -3.947 3.171 272 HD12 LEU 31 2HD1 LEU 31 -3.025 -2.988 4.595 273 HD13 LEU 31 3HD1 LEU 31 -2.978 -2.251 2.993 274 HD21 LEU 31 3HD2 LEU 31 -6.762 -3.379 4.553 275 HD22 LEU 31 1HD2 LEU 31 -5.343 -3.630 5.572 276 HD23 LEU 31 2HD2 LEU 31 -5.556 -4.588 4.109 277 H ALA 32 H ALA 32 -5.802 1.701 3.542 278 HA ALA 32 HA ALA 32 -5.510 3.080 5.996 279 HB1 ALA 32 3HB ALA 32 -4.367 3.790 3.967 280 HB2 ALA 32 1HB ALA 32 -5.352 5.097 4.626 281 HB3 ALA 32 2HB ALA 32 -5.916 4.188 3.222 282 H ARG 33 H ARG 33 -8.193 2.666 3.767 283 HA ARG 33 HA ARG 33 -9.962 4.524 4.976 284 HB2 ARG 33 2HB ARG 33 -10.544 1.993 3.427 285 HB3 ARG 33 3HB ARG 33 -11.760 3.170 3.895 286 HG2 ARG 33 2HG ARG 33 -9.409 3.761 2.110 287 HG3 ARG 33 3HG ARG 33 -11.030 3.361 1.543 288 HD2 ARG 33 2HD ARG 33 -10.945 5.697 1.474 289 HD3 ARG 33 3HD ARG 33 -11.825 5.332 2.955 290 HE ARG 33 HE ARG 33 -9.113 5.588 3.586 291 HH11 ARG 33 1HH1 ARG 33 -11.816 7.557 2.539 292 HH12 ARG 33 2HH1 ARG 33 -11.145 9.026 3.182 293 HH21 ARG 33 1HH2 ARG 33 -8.232 7.525 4.423 294 HH22 ARG 33 2HH2 ARG 33 -9.116 9.017 4.227 295 H GLN 34 H GLN 34 -9.099 1.201 5.619 296 HA GLN 34 HA GLN 34 -11.126 0.614 7.497 297 HB2 GLN 34 2HB GLN 34 -9.600 -1.022 6.302 298 HB3 GLN 34 3HB GLN 34 -8.330 -0.546 7.418 299 HG2 GLN 34 2HG GLN 34 -10.950 -1.573 8.423 300 HG3 GLN 34 3HG GLN 34 -9.695 -2.678 7.879 301 HE21 GLN 34 1HE2 GLN 34 -7.505 -1.042 8.823 302 HE22 GLN 34 2HE2 GLN 34 -7.496 -1.185 10.551 303 H ALA 35 H ALA 35 -7.978 2.129 7.723 304 HA ALA 35 HA ALA 35 -8.136 2.409 10.608 305 HB1 ALA 35 3HB ALA 35 -5.976 1.958 9.585 306 HB2 ALA 35 1HB ALA 35 -5.962 3.529 10.387 307 HB3 ALA 35 2HB ALA 35 -6.099 3.437 8.630 308 H GLU 36 H GLU 36 -9.357 4.000 7.962 309 HA GLU 36 HA GLU 36 -10.478 5.919 7.633 310 HB2 GLU 36 2HB GLU 36 -10.324 6.048 10.634 311 HB3 GLU 36 3HB GLU 36 -11.189 7.237 9.669 312 HG2 GLU 36 2HG GLU 36 -12.482 5.291 8.691 313 HG3 GLU 36 3HG GLU 36 -11.771 4.309 9.971 314 H GLN 37 H GLN 37 -7.554 5.879 7.584 315 HA GLN 37 HA GLN 37 -7.074 8.747 8.049 316 HB2 GLN 37 2HB GLN 37 -4.653 8.186 7.937 317 HB3 GLN 37 3HB GLN 37 -5.486 7.402 9.270 318 HG2 GLN 37 2HG GLN 37 -5.613 5.334 7.915 319 HG3 GLN 37 3HG GLN 37 -4.660 6.137 6.668 320 HE21 GLN 37 1HE2 GLN 37 -2.967 4.670 6.849 321 HE22 GLN 37 2HE2 GLN 37 -1.899 4.655 8.206 322 H ASP 38 H ASP 38 -6.287 10.019 6.351 323 HA ASP 38 HA ASP 38 -6.927 8.955 3.713 324 HB2 ASP 38 2HB ASP 38 -6.207 11.760 4.592 325 HB3 ASP 38 3HB ASP 38 -6.634 11.311 2.946 326 H ILE 39 H ILE 39 -4.271 9.216 5.652 327 HA ILE 39 HA ILE 39 -2.405 9.410 3.385 328 HB ILE 39 HB ILE 39 -1.873 9.920 6.319 329 HG12 ILE 39 2HG1 ILE 39 -1.982 11.923 4.058 330 HG13 ILE 39 3HG1 ILE 39 -3.341 11.600 5.131 331 HG21 ILE 39 1HG2 ILE 39 0.097 9.093 5.174 332 HG22 ILE 39 2HG2 ILE 39 0.283 10.811 5.531 333 HG23 ILE 39 3HG2 ILE 39 -0.117 10.288 3.895 334 HD11 ILE 39 3HD1 ILE 39 -2.126 13.588 5.802 335 HD12 ILE 39 1HD1 ILE 39 -0.646 12.642 5.965 336 HD13 ILE 39 2HD1 ILE 39 -2.015 12.330 7.035 337 H VAL 40 H VAL 40 -1.276 7.625 2.882 338 HA VAL 40 HA VAL 40 -1.598 5.291 4.615 339 HB VAL 40 HB VAL 40 -0.836 3.942 2.761 340 HG11 VAL 40 1HG1 VAL 40 -3.181 4.541 2.776 341 HG12 VAL 40 2HG1 VAL 40 -2.591 4.434 1.115 342 HG13 VAL 40 3HG1 VAL 40 -2.834 6.013 1.866 343 HG21 VAL 40 3HG2 VAL 40 -0.256 4.921 0.586 344 HG22 VAL 40 1HG2 VAL 40 0.874 5.407 1.853 345 HG23 VAL 40 2HG2 VAL 40 -0.364 6.533 1.292 346 H THR 41 H THR 41 0.075 4.171 5.503 347 HA THR 41 HA THR 41 2.691 5.496 5.448 348 HB THR 41 HB THR 41 3.120 4.113 7.521 349 HG1 THR 41 HG1 THR 41 1.326 3.150 8.505 350 HG21 THR 41 3HG2 THR 41 2.470 6.476 7.646 351 HG22 THR 41 1HG2 THR 41 1.781 5.556 8.985 352 HG23 THR 41 2HG2 THR 41 0.769 6.012 7.612 353 HA PRO 42 HA PRO 42 4.707 2.254 3.285 354 HB2 PRO 42 2HB PRO 42 6.865 1.682 4.908 355 HB3 PRO 42 3HB PRO 42 6.784 3.059 3.803 356 HG2 PRO 42 2HG PRO 42 6.235 2.952 6.743 357 HG3 PRO 42 3HG PRO 42 7.141 4.165 5.816 358 HD2 PRO 42 2HD PRO 42 4.636 4.643 6.592 359 HD3 PRO 42 3HD PRO 42 5.203 5.156 4.988 360 H GLU 43 H GLU 43 3.894 1.742 6.616 361 HA GLU 43 HA GLU 43 4.372 -1.022 6.832 362 HB2 GLU 43 2HB GLU 43 2.233 0.610 8.212 363 HB3 GLU 43 3HB GLU 43 2.898 -0.924 8.760 364 HG2 GLU 43 2HG GLU 43 5.026 0.077 9.183 365 HG3 GLU 43 3HG GLU 43 4.508 1.595 8.450 366 H LEU 44 H LEU 44 1.416 0.800 6.082 367 HA LEU 44 HA LEU 44 -0.238 -1.436 5.619 368 HB2 LEU 44 2HB LEU 44 -0.380 1.469 4.917 369 HB3 LEU 44 3HB LEU 44 -1.519 0.364 4.177 370 HG LEU 44 HG LEU 44 -2.314 -0.308 6.410 371 HD11 LEU 44 1HD1 LEU 44 -0.457 1.838 7.424 372 HD12 LEU 44 2HD1 LEU 44 -0.284 0.104 7.690 373 HD13 LEU 44 3HD1 LEU 44 -1.656 0.969 8.383 374 HD21 LEU 44 3HD2 LEU 44 -3.451 1.472 5.209 375 HD22 LEU 44 1HD2 LEU 44 -2.352 2.663 5.903 376 HD23 LEU 44 2HD2 LEU 44 -3.468 1.782 6.945 377 H VAL 45 H VAL 45 1.876 0.431 3.556 378 HA VAL 45 HA VAL 45 1.118 -0.562 1.059 379 HB VAL 45 HB VAL 45 3.856 0.302 2.011 380 HG11 VAL 45 1HG1 VAL 45 4.018 -1.046 -0.021 381 HG12 VAL 45 2HG1 VAL 45 4.400 0.646 -0.340 382 HG13 VAL 45 3HG1 VAL 45 2.829 -0.007 -0.810 383 HG21 VAL 45 3HG2 VAL 45 2.157 2.026 2.249 384 HG22 VAL 45 1HG2 VAL 45 1.688 1.816 0.563 385 HG23 VAL 45 2HG2 VAL 45 3.290 2.438 0.960 386 H GLU 46 H GLU 46 3.667 -1.720 3.257 387 HA GLU 46 HA GLU 46 4.275 -3.966 1.597 388 HB2 GLU 46 2HB GLU 46 5.887 -2.811 3.149 389 HB3 GLU 46 3HB GLU 46 5.030 -3.561 4.489 390 HG2 GLU 46 2HG GLU 46 5.639 -5.748 3.732 391 HG3 GLU 46 3HG GLU 46 6.329 -5.090 2.247 392 H GLN 47 H GLN 47 2.267 -3.394 4.413 393 HA GLN 47 HA GLN 47 1.658 -5.980 5.196 394 HB2 GLN 47 2HB GLN 47 0.887 -4.043 6.439 395 HB3 GLN 47 3HB GLN 47 -0.110 -3.523 5.090 396 HG2 GLN 47 2HG GLN 47 -1.479 -4.492 6.819 397 HG3 GLN 47 3HG GLN 47 -1.519 -5.508 5.380 398 HE21 GLN 47 1HE2 GLN 47 -0.631 -7.527 5.435 399 HE22 GLN 47 2HE2 GLN 47 -0.128 -8.299 6.901 400 H ALA 48 H ALA 48 -0.010 -4.000 2.740 401 HA ALA 48 HA ALA 48 -1.777 -6.047 1.906 402 HB1 ALA 48 3HB ALA 48 -2.205 -3.694 1.440 403 HB2 ALA 48 1HB ALA 48 -2.181 -4.637 -0.051 404 HB3 ALA 48 2HB ALA 48 -0.793 -3.638 0.384 405 H ARG 49 H ARG 49 1.501 -5.227 1.077 406 HA ARG 49 HA ARG 49 1.625 -6.690 -1.361 407 HB2 ARG 49 2HB ARG 49 3.177 -4.831 -0.684 408 HB3 ARG 49 3HB ARG 49 3.897 -5.922 0.485 409 HG2 ARG 49 2HG ARG 49 3.804 -6.626 -2.418 410 HG3 ARG 49 3HG ARG 49 5.061 -5.573 -1.774 411 HD2 ARG 49 2HD ARG 49 5.645 -7.354 -0.147 412 HD3 ARG 49 3HD ARG 49 4.462 -8.405 -0.925 413 HE ARG 49 HE ARG 49 6.926 -7.383 -2.192 414 HH11 ARG 49 1HH1 ARG 49 4.335 -9.734 -1.969 415 HH12 ARG 49 2HH1 ARG 49 5.034 -10.820 -3.129 416 HH21 ARG 49 1HH2 ARG 49 7.860 -8.792 -3.720 417 HH22 ARG 49 2HH2 ARG 49 7.072 -10.299 -4.104 418 H LEU 50 H LEU 50 2.343 -7.407 2.013 419 HA LEU 50 HA LEU 50 3.360 -10.022 1.569 420 HB2 LEU 50 2HB LEU 50 3.119 -8.326 3.738 421 HB3 LEU 50 3HB LEU 50 1.988 -9.613 4.115 422 HG LEU 50 HG LEU 50 4.155 -10.076 5.107 423 HD11 LEU 50 1HD1 LEU 50 3.547 -11.883 2.775 424 HD12 LEU 50 2HD1 LEU 50 2.870 -11.997 4.401 425 HD13 LEU 50 3HD1 LEU 50 4.590 -12.294 4.139 426 HD21 LEU 50 3HD2 LEU 50 6.133 -10.429 3.729 427 HD22 LEU 50 1HD2 LEU 50 5.514 -8.785 3.545 428 HD23 LEU 50 2HD2 LEU 50 5.214 -9.987 2.287 429 H GLU 51 H GLU 51 0.168 -8.710 2.279 430 HA GLU 51 HA GLU 51 -1.235 -11.091 2.599 431 HB2 GLU 51 2HB GLU 51 -2.107 -8.440 1.456 432 HB3 GLU 51 3HB GLU 51 -3.217 -9.773 1.749 433 HG2 GLU 51 2HG GLU 51 -2.590 -9.732 4.131 434 HG3 GLU 51 3HG GLU 51 -1.563 -8.334 3.809 435 H PHE 52 H PHE 52 -0.609 -9.240 -0.387 436 HA PHE 52 HA PHE 52 -1.897 -11.193 -2.022 437 HB2 PHE 52 2HB PHE 52 -0.093 -8.870 -2.676 438 HB3 PHE 52 3HB PHE 52 -0.747 -9.942 -3.913 439 HD1 PHE 52 HD1 PHE 52 -3.399 -10.387 -3.509 440 HD2 PHE 52 HD2 PHE 52 -1.224 -6.898 -2.410 441 HE1 PHE 52 HE1 PHE 52 -5.481 -9.080 -3.556 442 HE2 PHE 52 HE2 PHE 52 -3.306 -5.585 -2.455 443 HZ PHE 52 HZ PHE 52 -5.436 -6.676 -3.029 444 H GLY 53 H GLY 53 1.238 -10.915 -0.666 445 HA2 GLY 53 2HA GLY 53 2.646 -12.661 -2.392 446 HA3 GLY 53 3HA GLY 53 3.024 -12.359 -0.698 447 H GLN 54 H GLN 54 0.400 -13.153 0.224 448 HA GLN 54 HA GLN 54 0.708 -16.053 0.100 449 HB2 GLN 54 2HB GLN 54 -1.104 -14.323 1.798 450 HB3 GLN 54 3HB GLN 54 -0.942 -16.067 1.942 451 HG2 GLN 54 2HG GLN 54 1.377 -15.822 2.607 452 HG3 GLN 54 3HG GLN 54 1.272 -14.073 2.396 453 HE21 GLN 54 1HE2 GLN 54 1.896 -15.703 4.763 454 HE22 GLN 54 2HE2 GLN 54 0.752 -15.223 5.980 455 H LEU 55 H LEU 55 -1.675 -13.545 -0.575 456 HA LEU 55 HA LEU 55 -3.755 -15.379 -1.302 457 HB2 LEU 55 2HB LEU 55 -3.511 -12.394 -1.621 458 HB3 LEU 55 3HB LEU 55 -4.957 -13.312 -1.989 459 HG LEU 55 HG LEU 55 -3.708 -13.250 0.753 460 HD11 LEU 55 1HD1 LEU 55 -5.393 -11.607 1.339 461 HD12 LEU 55 2HD1 LEU 55 -5.978 -11.588 -0.324 462 HD13 LEU 55 3HD1 LEU 55 -4.360 -10.994 0.048 463 HD21 LEU 55 3HD2 LEU 55 -5.182 -15.154 0.263 464 HD22 LEU 55 1HD2 LEU 55 -6.459 -14.036 -0.211 465 HD23 LEU 55 2HD2 LEU 55 -5.889 -14.069 1.459 466 H GLU 56 H GLU 56 -1.033 -14.674 -2.936 467 HA GLU 56 HA GLU 56 -2.046 -14.242 -5.552 468 HB2 GLU 56 2HB GLU 56 0.325 -13.819 -4.934 469 HB3 GLU 56 3HB GLU 56 0.570 -15.555 -4.767 470 HG2 GLU 56 2HG GLU 56 0.130 -15.896 -7.100 471 HG3 GLU 56 3HG GLU 56 -0.303 -14.203 -7.309 472 H HIS 57 H HIS 57 -3.788 -15.660 -5.701 473 HA HIS 57 HA HIS 57 -3.481 -18.474 -5.471 474 HB2 HIS 57 2HB HIS 57 -5.725 -18.605 -6.529 475 HB3 HIS 57 3HB HIS 57 -5.679 -17.514 -5.152 476 HD1 HIS 57 HD1 HIS 57 -6.422 -17.656 -8.769 477 HD2 HIS 57 HD2 HIS 57 -5.872 -14.737 -5.851 478 HE1 HIS 57 HE1 HIS 57 -7.287 -15.517 -9.771 479 HE2 HIS 57 HE2 HIS 57 -7.103 -13.805 -7.928 480 H HIS 58 H HIS 58 -2.367 -19.680 -6.726 481 HA HIS 58 HA HIS 58 -1.348 -20.597 -8.509 482 HB2 HIS 58 2HB HIS 58 -3.667 -19.333 -9.967 483 HB3 HIS 58 3HB HIS 58 -2.493 -20.388 -10.749 484 HD1 HIS 58 HD1 HIS 58 -2.417 -22.900 -9.846 485 HD2 HIS 58 HD2 HIS 58 -5.656 -20.615 -8.584 486 HE1 HIS 58 HE1 HIS 58 -4.113 -24.546 -8.964 487 HE2 HIS 58 HE2 HIS 58 -6.004 -23.127 -8.080 488 H HIS 59 H HIS 59 -2.329 -18.080 -10.701 489 HA HIS 59 HA HIS 59 -1.151 -16.590 -11.936 490 HB2 HIS 59 2HB HIS 59 0.298 -16.432 -9.327 491 HB3 HIS 59 3HB HIS 59 1.020 -15.666 -10.736 492 HD1 HIS 59 HD1 HIS 59 0.677 -13.263 -10.165 493 HD2 HIS 59 HD2 HIS 59 -2.822 -15.488 -9.812 494 HE1 HIS 59 HE1 HIS 59 -1.153 -11.590 -9.760 495 HE2 HIS 59 HE2 HIS 59 -3.276 -12.935 -9.747 496 H HIS 60 H HIS 60 1.388 -18.383 -10.205 497 HA HIS 60 HA HIS 60 3.000 -18.574 -12.586 498 HB2 HIS 60 2HB HIS 60 3.815 -18.326 -10.161 499 HB3 HIS 60 3HB HIS 60 3.449 -20.036 -9.983 500 HD1 HIS 60 HD1 HIS 60 5.171 -21.691 -10.878 501 HD2 HIS 60 HD2 HIS 60 5.939 -17.750 -11.969 502 HE1 HIS 60 HE1 HIS 60 7.475 -21.695 -11.877 503 HE2 HIS 60 HE2 HIS 60 8.004 -19.263 -12.282 504 H HIS 61 H HIS 61 2.925 -20.171 -14.037 505 HA HIS 61 HA HIS 61 1.333 -22.548 -13.477 506 HB2 HIS 61 2HB HIS 61 1.171 -21.396 -15.690 507 HB3 HIS 61 3HB HIS 61 2.854 -21.810 -15.994 508 HD1 HIS 61 HD1 HIS 61 -0.528 -23.050 -16.437 509 HD2 HIS 61 HD2 HIS 61 3.267 -24.729 -16.141 510 HE1 HIS 61 HE1 HIS 61 -0.748 -25.393 -17.334 511 HE2 HIS 61 HE2 HIS 61 1.520 -26.446 -16.982 512 H HIS 62 H HIS 62 2.298 -24.047 -12.311 513 HA HIS 62 HA HIS 62 3.818 -25.520 -11.503 514 HB2 HIS 62 2HB HIS 62 3.885 -26.411 -13.750 515 HB3 HIS 62 3HB HIS 62 5.005 -25.157 -14.263 516 HD1 HIS 62 HD1 HIS 62 7.067 -26.400 -14.811 517 HD2 HIS 62 HD2 HIS 62 5.444 -27.614 -11.182 518 HE1 HIS 62 HE1 HIS 62 8.739 -28.004 -13.828 519 HE2 HIS 62 HE2 HIS 62 7.848 -28.513 -11.524 Start of MODEL 7 1 H1 MET 1 1H MET 1 -10.006 7.478 -6.824 2 H2 MET 1 2H MET 1 -11.304 8.551 -6.616 3 H3 MET 1 3H MET 1 -10.816 7.549 -5.334 4 HA MET 1 HA MET 1 -9.222 9.734 -6.533 5 HB2 MET 1 2HB MET 1 -10.747 9.476 -3.946 6 HB3 MET 1 3HB MET 1 -9.457 10.650 -4.156 7 HG2 MET 1 2HG MET 1 -11.928 10.489 -5.860 8 HG3 MET 1 3HG MET 1 -11.708 11.585 -4.497 9 HE1 MET 1 3HE MET 1 -12.221 13.719 -5.929 10 HE2 MET 1 1HE MET 1 -12.554 12.672 -7.310 11 HE3 MET 1 2HE MET 1 -11.476 14.054 -7.492 12 H ASN 2 H ASN 2 -7.189 10.070 -5.583 13 HA ASN 2 HA ASN 2 -6.035 7.635 -4.444 14 HB2 ASN 2 2HB ASN 2 -4.679 10.138 -5.476 15 HB3 ASN 2 3HB ASN 2 -3.859 8.679 -4.931 16 HD21 ASN 2 1HD2 ASN 2 -5.644 10.176 -7.471 17 HD22 ASN 2 2HD2 ASN 2 -5.436 8.920 -8.645 18 H LEU 3 H LEU 3 -4.933 7.611 -2.486 19 HA LEU 3 HA LEU 3 -5.731 9.735 -0.656 20 HB2 LEU 3 2HB LEU 3 -4.381 7.081 -0.179 21 HB3 LEU 3 3HB LEU 3 -4.798 8.217 1.090 22 HG LEU 3 HG LEU 3 -6.737 6.785 -0.728 23 HD11 LEU 3 1HD1 LEU 3 -5.781 5.353 0.985 24 HD12 LEU 3 2HD1 LEU 3 -7.472 5.703 1.336 25 HD13 LEU 3 3HD1 LEU 3 -6.198 6.537 2.225 26 HD21 LEU 3 3HD2 LEU 3 -7.263 8.734 1.512 27 HD22 LEU 3 1HD2 LEU 3 -8.484 7.824 0.622 28 HD23 LEU 3 2HD2 LEU 3 -7.513 9.041 -0.209 29 H ARG 4 H ARG 4 -3.905 10.103 1.142 30 HA ARG 4 HA ARG 4 -1.760 11.393 -0.308 31 HB2 ARG 4 2HB ARG 4 -2.932 12.467 1.631 32 HB3 ARG 4 3HB ARG 4 -2.199 11.260 2.681 33 HG2 ARG 4 2HG ARG 4 0.028 12.054 1.981 34 HG3 ARG 4 3HG ARG 4 -0.753 13.317 1.028 35 HD2 ARG 4 2HD ARG 4 -1.836 14.127 3.118 36 HD3 ARG 4 3HD ARG 4 -0.878 12.951 4.017 37 HE ARG 4 HE ARG 4 0.287 15.164 2.437 38 HH11 ARG 4 1HH1 ARG 4 0.306 13.060 5.248 39 HH12 ARG 4 2HH1 ARG 4 1.714 13.802 5.938 40 HH21 ARG 4 1HH2 ARG 4 2.121 16.119 3.340 41 HH22 ARG 4 2HH2 ARG 4 2.742 15.542 4.856 42 H TRP 5 H TRP 5 -0.143 10.138 -0.964 43 HA TRP 5 HA TRP 5 0.720 7.895 0.661 44 HB2 TRP 5 2HB TRP 5 1.493 8.830 -2.106 45 HB3 TRP 5 3HB TRP 5 2.307 7.505 -1.288 46 HD1 TRP 5 HD1 TRP 5 -1.307 8.414 -2.417 47 HE1 TRP 5 HE1 TRP 5 -2.512 6.219 -3.041 48 HE3 TRP 5 HE3 TRP 5 2.398 5.102 -1.220 49 HZ2 TRP 5 HZ2 TRP 5 -1.937 3.454 -3.039 50 HZ3 TRP 5 HZ3 TRP 5 1.988 2.703 -1.567 51 HH2 TRP 5 HH2 TRP 5 -0.133 1.899 -2.456 52 H THR 6 H THR 6 2.295 8.024 2.072 53 HA THR 6 HA THR 6 3.941 10.321 2.387 54 HB THR 6 HB THR 6 5.186 8.875 4.037 55 HG1 THR 6 HG1 THR 6 3.160 6.946 3.845 56 HG21 THR 6 3HG2 THR 6 3.307 8.686 5.631 57 HG22 THR 6 1HG2 THR 6 2.182 8.994 4.309 58 HG23 THR 6 2HG2 THR 6 3.334 10.240 4.795 59 H SER 7 H SER 7 6.353 10.243 2.310 60 HA SER 7 HA SER 7 7.262 9.441 -0.226 61 HB2 SER 7 2HB SER 7 8.264 11.269 1.161 62 HB3 SER 7 3HB SER 7 8.960 10.036 2.210 63 HG SER 7 HG SER 7 10.539 10.481 0.779 64 H GLU 8 H GLU 8 7.469 7.944 2.948 65 HA GLU 8 HA GLU 8 9.135 5.777 2.242 66 HB2 GLU 8 2HB GLU 8 7.029 6.037 4.395 67 HB3 GLU 8 3HB GLU 8 8.137 4.683 4.263 68 HG2 GLU 8 2HG GLU 8 8.951 6.166 5.934 69 HG3 GLU 8 3HG GLU 8 10.023 6.271 4.540 70 H ALA 9 H ALA 9 5.617 6.179 2.319 71 HA ALA 9 HA ALA 9 4.924 3.560 1.586 72 HB1 ALA 9 3HB ALA 9 3.429 6.116 1.019 73 HB2 ALA 9 1HB ALA 9 3.308 5.146 2.487 74 HB3 ALA 9 2HB ALA 9 2.758 4.486 0.945 75 H LYS 10 H LYS 10 5.429 6.461 -0.406 76 HA LYS 10 HA LYS 10 4.988 5.313 -2.908 77 HB2 LYS 10 2HB LYS 10 6.905 7.515 -2.123 78 HB3 LYS 10 3HB LYS 10 6.440 7.141 -3.777 79 HG2 LYS 10 2HG LYS 10 4.208 7.811 -3.407 80 HG3 LYS 10 3HG LYS 10 4.434 7.847 -1.660 81 HD2 LYS 10 2HD LYS 10 4.405 10.101 -2.484 82 HD3 LYS 10 3HD LYS 10 6.041 9.715 -1.954 83 HE2 LYS 10 2HE LYS 10 6.717 9.342 -4.261 84 HE3 LYS 10 3HE LYS 10 5.069 9.651 -4.810 85 HZ1 LYS 10 3HZ LYS 10 6.815 11.612 -3.411 86 HZ2 LYS 10 1HZ LYS 10 5.245 11.907 -3.977 87 HZ3 LYS 10 2HZ LYS 10 6.498 11.596 -5.075 88 H THR 11 H THR 11 7.921 5.422 -0.937 89 HA THR 11 HA THR 11 9.651 4.187 -2.787 90 HB THR 11 HB THR 11 9.800 4.051 0.235 91 HG1 THR 11 HG1 THR 11 9.732 6.213 -0.406 92 HG21 THR 11 3HG2 THR 11 11.946 3.787 -1.877 93 HG22 THR 11 1HG2 THR 11 11.305 2.482 -0.881 94 HG23 THR 11 2HG2 THR 11 12.214 3.795 -0.134 95 H LYS 12 H LYS 12 7.724 2.850 -0.114 96 HA LYS 12 HA LYS 12 8.464 0.159 -0.498 97 HB2 LYS 12 2HB LYS 12 6.106 1.465 0.838 98 HB3 LYS 12 3HB LYS 12 6.278 -0.281 0.773 99 HG2 LYS 12 2HG LYS 12 8.340 1.564 1.942 100 HG3 LYS 12 3HG LYS 12 7.080 0.758 2.878 101 HD2 LYS 12 2HD LYS 12 7.934 -1.420 2.113 102 HD3 LYS 12 3HD LYS 12 9.217 -0.589 1.224 103 HE2 LYS 12 2HE LYS 12 10.160 0.255 3.252 104 HE3 LYS 12 3HE LYS 12 8.785 -0.315 4.195 105 HZ1 LYS 12 3HZ LYS 12 10.656 -1.784 4.473 106 HZ2 LYS 12 1HZ LYS 12 10.783 -2.015 2.797 107 HZ3 LYS 12 2HZ LYS 12 9.427 -2.600 3.633 108 H LEU 13 H LEU 13 5.872 2.101 -1.882 109 HA LEU 13 HA LEU 13 4.455 0.005 -3.114 110 HB2 LEU 13 2HB LEU 13 3.606 2.318 -2.840 111 HB3 LEU 13 3HB LEU 13 4.754 2.863 -4.047 112 HG LEU 13 HG LEU 13 3.635 1.450 -5.734 113 HD11 LEU 13 1HD1 LEU 13 2.756 -0.258 -4.219 114 HD12 LEU 13 2HD1 LEU 13 1.493 0.424 -5.242 115 HD13 LEU 13 3HD1 LEU 13 1.624 0.920 -3.553 116 HD21 LEU 13 3HD2 LEU 13 3.002 3.800 -5.457 117 HD22 LEU 13 1HD2 LEU 13 1.768 3.326 -4.290 118 HD23 LEU 13 2HD2 LEU 13 1.637 2.808 -5.972 119 H LYS 14 H LYS 14 7.312 1.802 -4.029 120 HA LYS 14 HA LYS 14 7.464 0.726 -6.683 121 HB2 LYS 14 2HB LYS 14 9.485 2.169 -4.965 122 HB3 LYS 14 3HB LYS 14 9.796 1.667 -6.623 123 HG2 LYS 14 2HG LYS 14 8.101 3.114 -7.464 124 HG3 LYS 14 3HG LYS 14 7.520 3.469 -5.838 125 HD2 LYS 14 2HD LYS 14 9.651 4.562 -5.322 126 HD3 LYS 14 3HD LYS 14 10.224 4.207 -6.952 127 HE2 LYS 14 2HE LYS 14 7.731 5.804 -6.425 128 HE3 LYS 14 3HE LYS 14 9.325 6.550 -6.537 129 HZ1 LYS 14 3HZ LYS 14 8.094 4.897 -8.678 130 HZ2 LYS 14 1HZ LYS 14 9.551 5.759 -8.770 131 HZ3 LYS 14 2HZ LYS 14 8.079 6.592 -8.643 132 H ASN 15 H ASN 15 7.933 -0.668 -3.694 133 HA ASN 15 HA ASN 15 9.989 -2.532 -4.605 134 HB2 ASN 15 2HB ASN 15 8.506 -2.250 -1.993 135 HB3 ASN 15 3HB ASN 15 9.491 -3.660 -2.349 136 HD21 ASN 15 1HD2 ASN 15 10.100 -0.260 -3.121 137 HD22 ASN 15 2HD2 ASN 15 11.559 -0.140 -2.206 138 H ILE 16 H ILE 16 6.716 -2.114 -4.898 139 HA ILE 16 HA ILE 16 6.108 -4.974 -4.999 140 HB ILE 16 HB ILE 16 4.240 -2.621 -5.364 141 HG12 ILE 16 2HG1 ILE 16 4.710 -4.339 -2.913 142 HG13 ILE 16 3HG1 ILE 16 5.265 -2.680 -3.109 143 HG21 ILE 16 1HG2 ILE 16 3.663 -5.541 -4.863 144 HG22 ILE 16 2HG2 ILE 16 3.440 -4.692 -6.393 145 HG23 ILE 16 3HG2 ILE 16 2.462 -4.257 -4.991 146 HD11 ILE 16 3HD1 ILE 16 3.271 -2.785 -1.737 147 HD12 ILE 16 1HD1 ILE 16 2.397 -3.587 -3.044 148 HD13 ILE 16 2HD1 ILE 16 2.951 -1.923 -3.243 149 HA PRO 17 HA PRO 17 6.953 -5.083 -9.395 150 HB2 PRO 17 2HB PRO 17 4.960 -7.295 -9.203 151 HB3 PRO 17 3HB PRO 17 6.559 -7.287 -9.956 152 HG2 PRO 17 2HG PRO 17 6.180 -8.486 -7.616 153 HG3 PRO 17 3HG PRO 17 7.659 -7.556 -7.926 154 HD2 PRO 17 2HD PRO 17 5.261 -6.826 -6.302 155 HD3 PRO 17 3HD PRO 17 6.973 -6.459 -6.015 156 H PHE 18 H PHE 18 5.969 -4.079 -11.089 157 HA PHE 18 HA PHE 18 3.670 -2.571 -10.624 158 HB2 PHE 18 2HB PHE 18 3.778 -1.947 -13.008 159 HB3 PHE 18 3HB PHE 18 5.348 -1.852 -12.223 160 HD1 PHE 18 HD1 PHE 18 3.324 -3.617 -14.701 161 HD2 PHE 18 HD2 PHE 18 7.137 -3.364 -12.826 162 HE1 PHE 18 HE1 PHE 18 4.283 -5.026 -16.472 163 HE2 PHE 18 HE2 PHE 18 8.102 -4.777 -14.593 164 HZ PHE 18 HZ PHE 18 6.675 -5.607 -16.418 165 H PHE 19 H PHE 19 4.010 -5.757 -11.959 166 HA PHE 19 HA PHE 19 1.540 -6.004 -13.262 167 HB2 PHE 19 2HB PHE 19 3.322 -7.654 -13.508 168 HB3 PHE 19 3HB PHE 19 3.182 -8.097 -11.812 169 HD1 PHE 19 HD1 PHE 19 1.317 -8.075 -15.021 170 HD2 PHE 19 HD2 PHE 19 1.726 -9.775 -11.141 171 HE1 PHE 19 HE1 PHE 19 -0.315 -9.820 -15.616 172 HE2 PHE 19 HE2 PHE 19 0.094 -11.519 -11.728 173 HZ PHE 19 HZ PHE 19 -0.929 -11.544 -13.969 174 H ALA 20 H ALA 20 2.399 -6.239 -9.865 175 HA ALA 20 HA ALA 20 -0.421 -6.818 -9.236 176 HB1 ALA 20 3HB ALA 20 1.114 -8.566 -8.498 177 HB2 ALA 20 1HB ALA 20 0.370 -7.754 -7.122 178 HB3 ALA 20 2HB ALA 20 2.034 -7.379 -7.576 179 H ARG 21 H ARG 21 1.819 -4.402 -9.303 180 HA ARG 21 HA ARG 21 1.544 -3.148 -6.805 181 HB2 ARG 21 2HB ARG 21 3.377 -2.627 -8.298 182 HB3 ARG 21 3HB ARG 21 2.260 -2.002 -9.505 183 HG2 ARG 21 2HG ARG 21 1.624 -0.203 -7.994 184 HG3 ARG 21 3HG ARG 21 2.736 -0.832 -6.777 185 HD2 ARG 21 2HD ARG 21 4.619 -0.289 -8.052 186 HD3 ARG 21 3HD ARG 21 3.675 -0.107 -9.531 187 HE ARG 21 HE ARG 21 2.680 1.797 -7.850 188 HH11 ARG 21 1HH1 ARG 21 5.875 1.038 -9.068 189 HH12 ARG 21 2HH1 ARG 21 6.412 2.688 -9.070 190 HH21 ARG 21 1HH2 ARG 21 3.382 3.961 -7.835 191 HH22 ARG 21 2HH2 ARG 21 4.992 4.353 -8.349 192 H SER 22 H SER 22 -0.305 -2.840 -9.795 193 HA SER 22 HA SER 22 -1.914 -0.664 -9.008 194 HB2 SER 22 2HB SER 22 -3.518 -1.675 -10.752 195 HB3 SER 22 3HB SER 22 -1.908 -1.219 -11.310 196 HG SER 22 HG SER 22 -2.578 -3.319 -12.020 197 H GLN 23 H GLN 23 -2.327 -4.152 -8.723 198 HA GLN 23 HA GLN 23 -4.857 -4.118 -7.464 199 HB2 GLN 23 2HB GLN 23 -3.797 -6.100 -8.576 200 HB3 GLN 23 3HB GLN 23 -2.692 -6.217 -7.213 201 HG2 GLN 23 2HG GLN 23 -4.389 -7.800 -6.832 202 HG3 GLN 23 3HG GLN 23 -4.717 -6.457 -5.740 203 HE21 GLN 23 1HE2 GLN 23 -5.362 -6.402 -9.171 204 HE22 GLN 23 2HE2 GLN 23 -7.089 -6.389 -9.049 205 H ALA 24 H ALA 24 -1.545 -4.226 -6.228 206 HA ALA 24 HA ALA 24 -2.208 -4.466 -3.504 207 HB1 ALA 24 3HB ALA 24 0.026 -4.959 -4.379 208 HB2 ALA 24 1HB ALA 24 0.081 -3.799 -3.050 209 HB3 ALA 24 2HB ALA 24 0.265 -3.243 -4.714 210 H LYS 25 H LYS 25 -1.587 -1.616 -5.533 211 HA LYS 25 HA LYS 25 -1.656 0.330 -3.550 212 HB2 LYS 25 2HB LYS 25 -0.987 0.846 -5.830 213 HB3 LYS 25 3HB LYS 25 -2.607 0.491 -6.416 214 HG2 LYS 25 2HG LYS 25 -3.497 2.381 -5.215 215 HG3 LYS 25 3HG LYS 25 -1.916 2.710 -4.506 216 HD2 LYS 25 2HD LYS 25 -1.004 3.169 -6.716 217 HD3 LYS 25 3HD LYS 25 -2.563 2.788 -7.451 218 HE2 LYS 25 2HE LYS 25 -2.085 5.005 -5.462 219 HE3 LYS 25 3HE LYS 25 -2.158 5.221 -7.211 220 HZ1 LYS 25 3HZ LYS 25 -4.446 4.266 -7.103 221 HZ2 LYS 25 1HZ LYS 25 -4.273 5.764 -6.326 222 HZ3 LYS 25 2HZ LYS 25 -4.352 4.345 -5.406 223 H ALA 26 H ALA 26 -4.318 -1.092 -5.409 224 HA ALA 26 HA ALA 26 -6.414 0.417 -4.337 225 HB1 ALA 26 3HB ALA 26 -7.877 -1.395 -5.054 226 HB2 ALA 26 1HB ALA 26 -6.483 -2.461 -5.248 227 HB3 ALA 26 2HB ALA 26 -6.663 -1.045 -6.287 228 H ARG 27 H ARG 27 -4.859 -2.534 -3.181 229 HA ARG 27 HA ARG 27 -6.613 -2.946 -0.984 230 HB2 ARG 27 2HB ARG 27 -5.174 -4.718 -1.990 231 HB3 ARG 27 3HB ARG 27 -3.768 -3.918 -1.304 232 HG2 ARG 27 2HG ARG 27 -4.458 -5.802 0.065 233 HG3 ARG 27 3HG ARG 27 -4.650 -4.283 0.945 234 HD2 ARG 27 2HD ARG 27 -7.037 -4.273 0.380 235 HD3 ARG 27 3HD ARG 27 -6.836 -5.804 -0.470 236 HE ARG 27 HE ARG 27 -6.001 -5.885 2.285 237 HH11 ARG 27 1HH1 ARG 27 -8.676 -6.234 0.067 238 HH12 ARG 27 2HH1 ARG 27 -9.632 -7.189 1.163 239 HH21 ARG 27 1HH2 ARG 27 -7.239 -7.136 3.738 240 HH22 ARG 27 2HH2 ARG 27 -8.811 -7.706 3.250 241 H ILE 28 H ILE 28 -3.417 -1.445 -1.305 242 HA ILE 28 HA ILE 28 -2.894 -0.901 1.378 243 HB ILE 28 HB ILE 28 -2.128 0.760 -1.031 244 HG12 ILE 28 2HG1 ILE 28 -0.483 -1.304 0.440 245 HG13 ILE 28 3HG1 ILE 28 -1.429 -1.677 -0.998 246 HG21 ILE 28 1HG2 ILE 28 -0.958 0.711 1.749 247 HG22 ILE 28 2HG2 ILE 28 -1.890 2.028 1.036 248 HG23 ILE 28 3HG2 ILE 28 -0.308 1.611 0.380 249 HD11 ILE 28 3HD1 ILE 28 -0.120 -0.085 -2.283 250 HD12 ILE 28 1HD1 ILE 28 0.911 -1.302 -1.530 251 HD13 ILE 28 2HD1 ILE 28 0.815 0.318 -0.843 252 H GLU 29 H GLU 29 -4.447 1.192 -1.045 253 HA GLU 29 HA GLU 29 -4.987 3.274 0.795 254 HB2 GLU 29 2HB GLU 29 -6.260 2.678 -1.882 255 HB3 GLU 29 3HB GLU 29 -6.441 4.182 -0.986 256 HG2 GLU 29 2HG GLU 29 -4.038 4.570 -1.145 257 HG3 GLU 29 3HG GLU 29 -3.852 3.064 -2.038 258 H GLN 30 H GLN 30 -6.773 0.421 -0.217 259 HA GLN 30 HA GLN 30 -9.239 1.061 1.016 260 HB2 GLN 30 2HB GLN 30 -8.939 -0.799 -0.607 261 HB3 GLN 30 3HB GLN 30 -8.008 -1.674 0.601 262 HG2 GLN 30 2HG GLN 30 -10.027 -1.613 2.078 263 HG3 GLN 30 3HG GLN 30 -10.922 -0.944 0.714 264 HE21 GLN 30 1HE2 GLN 30 -11.313 -2.251 -1.096 265 HE22 GLN 30 2HE2 GLN 30 -11.178 -3.977 -1.014 266 H LEU 31 H LEU 31 -6.341 -0.614 2.159 267 HA LEU 31 HA LEU 31 -7.218 -1.244 4.745 268 HB2 LEU 31 2HB LEU 31 -4.438 -0.577 3.765 269 HB3 LEU 31 3HB LEU 31 -4.799 -1.301 5.321 270 HG LEU 31 HG LEU 31 -5.487 -2.588 2.680 271 HD11 LEU 31 1HD1 LEU 31 -3.560 -4.023 3.017 272 HD12 LEU 31 2HD1 LEU 31 -3.134 -3.140 4.484 273 HD13 LEU 31 3HD1 LEU 31 -3.056 -2.333 2.916 274 HD21 LEU 31 3HD2 LEU 31 -5.399 -3.667 5.494 275 HD22 LEU 31 1HD2 LEU 31 -5.750 -4.602 4.041 276 HD23 LEU 31 2HD2 LEU 31 -6.854 -3.325 4.557 277 H ALA 32 H ALA 32 -5.733 1.673 3.425 278 HA ALA 32 HA ALA 32 -5.544 3.086 5.861 279 HB1 ALA 32 3HB ALA 32 -4.337 3.756 3.842 280 HB2 ALA 32 1HB ALA 32 -5.303 5.080 4.494 281 HB3 ALA 32 2HB ALA 32 -5.863 4.194 3.076 282 H ARG 33 H ARG 33 -8.104 2.879 3.414 283 HA ARG 33 HA ARG 33 -9.909 4.685 4.583 284 HB2 ARG 33 2HB ARG 33 -10.588 2.146 3.082 285 HB3 ARG 33 3HB ARG 33 -11.661 3.510 3.347 286 HG2 ARG 33 2HG ARG 33 -10.208 4.925 1.990 287 HG3 ARG 33 3HG ARG 33 -9.124 3.556 1.727 288 HD2 ARG 33 2HD ARG 33 -11.099 2.333 0.744 289 HD3 ARG 33 3HD ARG 33 -11.970 3.866 0.791 290 HE ARG 33 HE ARG 33 -9.727 3.164 -0.952 291 HH11 ARG 33 1HH1 ARG 33 -12.013 5.584 0.153 292 HH12 ARG 33 2HH1 ARG 33 -11.797 6.604 -1.239 293 HH21 ARG 33 1HH2 ARG 33 -9.431 4.499 -2.777 294 HH22 ARG 33 2HH2 ARG 33 -10.346 5.969 -2.927 295 H GLN 34 H GLN 34 -9.331 1.257 5.126 296 HA GLN 34 HA GLN 34 -11.422 0.819 6.968 297 HB2 GLN 34 2HB GLN 34 -10.059 -0.922 5.706 298 HB3 GLN 34 3HB GLN 34 -8.789 -0.660 6.891 299 HG2 GLN 34 2HG GLN 34 -11.555 -1.421 7.748 300 HG3 GLN 34 3HG GLN 34 -10.403 -2.637 7.206 301 HE21 GLN 34 1HE2 GLN 34 -8.101 -1.245 8.309 302 HE22 GLN 34 2HE2 GLN 34 -8.179 -1.464 10.026 303 H ALA 35 H ALA 35 -8.054 1.808 7.374 304 HA ALA 35 HA ALA 35 -8.232 1.975 10.238 305 HB1 ALA 35 3HB ALA 35 -6.033 3.033 10.110 306 HB2 ALA 35 1HB ALA 35 -6.189 3.153 8.358 307 HB3 ALA 35 2HB ALA 35 -6.091 1.570 9.127 308 H GLU 36 H GLU 36 -9.446 3.801 7.761 309 HA GLU 36 HA GLU 36 -10.602 5.723 7.643 310 HB2 GLU 36 2HB GLU 36 -10.326 5.653 10.648 311 HB3 GLU 36 3HB GLU 36 -11.292 6.843 9.780 312 HG2 GLU 36 2HG GLU 36 -12.557 4.940 8.761 313 HG3 GLU 36 3HG GLU 36 -11.694 3.865 9.859 314 H GLN 37 H GLN 37 -7.641 5.636 7.608 315 HA GLN 37 HA GLN 37 -7.151 8.491 8.141 316 HB2 GLN 37 2HB GLN 37 -4.727 7.919 8.011 317 HB3 GLN 37 3HB GLN 37 -5.564 7.133 9.341 318 HG2 GLN 37 2HG GLN 37 -5.665 5.058 8.076 319 HG3 GLN 37 3HG GLN 37 -4.867 5.843 6.712 320 HE21 GLN 37 1HE2 GLN 37 -3.152 4.405 6.763 321 HE22 GLN 37 2HE2 GLN 37 -1.937 4.451 7.991 322 H ASP 38 H ASP 38 -6.460 9.805 6.472 323 HA ASP 38 HA ASP 38 -7.005 8.732 3.814 324 HB2 ASP 38 2HB ASP 38 -6.547 11.569 4.761 325 HB3 ASP 38 3HB ASP 38 -6.920 11.118 3.102 326 H ILE 39 H ILE 39 -4.427 8.919 5.733 327 HA ILE 39 HA ILE 39 -2.514 9.373 3.538 328 HB ILE 39 HB ILE 39 -1.942 9.428 6.509 329 HG12 ILE 39 2HG1 ILE 39 -2.266 11.800 4.659 330 HG13 ILE 39 3HG1 ILE 39 -3.508 11.248 5.777 331 HG21 ILE 39 1HG2 ILE 39 -0.013 8.910 5.136 332 HG22 ILE 39 2HG2 ILE 39 0.144 10.532 5.807 333 HG23 ILE 39 3HG2 ILE 39 -0.327 10.317 4.123 334 HD11 ILE 39 3HD1 ILE 39 -2.024 11.692 7.651 335 HD12 ILE 39 1HD1 ILE 39 -2.275 13.136 6.672 336 HD13 ILE 39 2HD1 ILE 39 -0.769 12.228 6.535 337 H VAL 40 H VAL 40 -1.250 7.660 2.943 338 HA VAL 40 HA VAL 40 -1.663 5.190 4.464 339 HB VAL 40 HB VAL 40 -0.834 3.959 2.558 340 HG11 VAL 40 1HG1 VAL 40 -3.196 4.538 2.566 341 HG12 VAL 40 2HG1 VAL 40 -2.567 4.491 0.916 342 HG13 VAL 40 3HG1 VAL 40 -2.842 6.042 1.715 343 HG21 VAL 40 3HG2 VAL 40 -0.197 5.033 0.475 344 HG22 VAL 40 1HG2 VAL 40 0.859 5.545 1.791 345 HG23 VAL 40 2HG2 VAL 40 -0.417 6.620 1.211 346 H THR 41 H THR 41 -0.088 4.187 5.508 347 HA THR 41 HA THR 41 2.516 5.503 5.605 348 HB THR 41 HB THR 41 2.664 3.862 7.679 349 HG1 THR 41 HG1 THR 41 0.842 2.748 7.708 350 HG21 THR 41 3HG2 THR 41 1.673 5.620 9.087 351 HG22 THR 41 1HG2 THR 41 0.934 6.346 7.658 352 HG23 THR 41 2HG2 THR 41 2.688 6.310 7.822 353 HA PRO 42 HA PRO 42 4.690 2.456 3.430 354 HB2 PRO 42 2HB PRO 42 6.831 1.887 5.080 355 HB3 PRO 42 3HB PRO 42 6.715 3.299 4.026 356 HG2 PRO 42 2HG PRO 42 6.142 3.062 6.953 357 HG3 PRO 42 3HG PRO 42 6.968 4.362 6.074 358 HD2 PRO 42 2HD PRO 42 4.427 4.623 6.870 359 HD3 PRO 42 3HD PRO 42 4.976 5.280 5.315 360 H GLU 43 H GLU 43 4.007 1.589 6.778 361 HA GLU 43 HA GLU 43 4.693 -1.168 6.367 362 HB2 GLU 43 2HB GLU 43 3.322 -1.222 8.706 363 HB3 GLU 43 3HB GLU 43 5.036 -0.885 8.565 364 HG2 GLU 43 2HG GLU 43 4.161 0.736 10.014 365 HG3 GLU 43 3HG GLU 43 4.434 1.556 8.480 366 H LEU 44 H LEU 44 1.790 0.746 6.126 367 HA LEU 44 HA LEU 44 0.012 -1.477 5.888 368 HB2 LEU 44 2HB LEU 44 -0.124 1.422 5.450 369 HB3 LEU 44 3HB LEU 44 -1.120 0.496 4.345 370 HG LEU 44 HG LEU 44 -2.272 -0.545 6.247 371 HD11 LEU 44 1HD1 LEU 44 -0.553 1.269 7.926 372 HD12 LEU 44 2HD1 LEU 44 -0.490 -0.494 7.885 373 HD13 LEU 44 3HD1 LEU 44 -1.924 0.324 8.510 374 HD21 LEU 44 3HD2 LEU 44 -3.175 1.486 5.258 375 HD22 LEU 44 1HD2 LEU 44 -2.205 2.466 6.359 376 HD23 LEU 44 2HD2 LEU 44 -3.490 1.435 6.993 377 H VAL 45 H VAL 45 1.954 0.404 3.644 378 HA VAL 45 HA VAL 45 1.153 -0.819 1.242 379 HB VAL 45 HB VAL 45 3.886 0.259 1.974 380 HG11 VAL 45 1HG1 VAL 45 3.960 -1.162 -0.012 381 HG12 VAL 45 2HG1 VAL 45 4.227 0.532 -0.424 382 HG13 VAL 45 3HG1 VAL 45 2.663 -0.216 -0.742 383 HG21 VAL 45 3HG2 VAL 45 2.156 1.928 2.282 384 HG22 VAL 45 1HG2 VAL 45 1.534 1.612 0.663 385 HG23 VAL 45 2HG2 VAL 45 3.136 2.318 0.869 386 H GLU 46 H GLU 46 3.711 -1.633 3.553 387 HA GLU 46 HA GLU 46 4.606 -3.922 2.121 388 HB2 GLU 46 2HB GLU 46 5.933 -2.576 3.801 389 HB3 GLU 46 3HB GLU 46 4.987 -3.357 5.058 390 HG2 GLU 46 2HG GLU 46 5.943 -5.426 4.684 391 HG3 GLU 46 3HG GLU 46 6.471 -5.000 3.055 392 H GLN 47 H GLN 47 2.308 -3.402 4.759 393 HA GLN 47 HA GLN 47 1.688 -6.032 5.407 394 HB2 GLN 47 2HB GLN 47 0.605 -3.519 5.957 395 HB3 GLN 47 3HB GLN 47 -0.699 -4.379 5.159 396 HG2 GLN 47 2HG GLN 47 0.784 -5.570 7.475 397 HG3 GLN 47 3HG GLN 47 -0.559 -4.462 7.708 398 HE21 GLN 47 1HE2 GLN 47 -0.378 -6.880 5.145 399 HE22 GLN 47 2HE2 GLN 47 -1.664 -7.868 5.742 400 H ALA 48 H ALA 48 0.245 -3.977 2.878 401 HA ALA 48 HA ALA 48 -1.425 -5.937 1.768 402 HB1 ALA 48 3HB ALA 48 -1.528 -4.497 -0.193 403 HB2 ALA 48 1HB ALA 48 -0.135 -3.588 0.392 404 HB3 ALA 48 2HB ALA 48 -1.652 -3.553 1.292 405 H ARG 49 H ARG 49 1.971 -5.277 1.334 406 HA ARG 49 HA ARG 49 2.370 -6.779 -1.042 407 HB2 ARG 49 2HB ARG 49 3.902 -5.052 0.096 408 HB3 ARG 49 3HB ARG 49 4.421 -6.384 1.118 409 HG2 ARG 49 2HG ARG 49 5.068 -7.614 -0.953 410 HG3 ARG 49 3HG ARG 49 4.716 -6.142 -1.862 411 HD2 ARG 49 2HD ARG 49 6.305 -4.957 -0.292 412 HD3 ARG 49 3HD ARG 49 6.779 -6.555 0.274 413 HE ARG 49 HE ARG 49 7.008 -5.870 -2.571 414 HH11 ARG 49 1HH1 ARG 49 8.482 -6.856 0.450 415 HH12 ARG 49 2HH1 ARG 49 10.050 -7.124 -0.260 416 HH21 ARG 49 1HH2 ARG 49 9.075 -6.161 -3.492 417 HH22 ARG 49 2HH2 ARG 49 10.396 -6.703 -2.495 418 H LEU 50 H LEU 50 2.536 -7.506 2.393 419 HA LEU 50 HA LEU 50 3.341 -10.226 2.058 420 HB2 LEU 50 2HB LEU 50 3.073 -8.406 4.187 421 HB3 LEU 50 3HB LEU 50 2.002 -9.742 4.557 422 HG LEU 50 HG LEU 50 4.189 -10.087 5.561 423 HD11 LEU 50 1HD1 LEU 50 4.691 -12.306 4.634 424 HD12 LEU 50 2HD1 LEU 50 3.644 -11.952 3.258 425 HD13 LEU 50 3HD1 LEU 50 2.963 -12.059 4.881 426 HD21 LEU 50 3HD2 LEU 50 5.516 -8.781 3.990 427 HD22 LEU 50 1HD2 LEU 50 5.235 -9.990 2.736 428 HD23 LEU 50 2HD2 LEU 50 6.172 -10.408 4.170 429 H GLU 51 H GLU 51 0.284 -8.544 2.279 430 HA GLU 51 HA GLU 51 -1.482 -10.647 2.691 431 HB2 GLU 51 2HB GLU 51 -1.768 -8.216 0.912 432 HB3 GLU 51 3HB GLU 51 -3.090 -9.310 1.285 433 HG2 GLU 51 2HG GLU 51 -1.536 -7.781 3.352 434 HG3 GLU 51 3HG GLU 51 -3.044 -7.222 2.631 435 H PHE 52 H PHE 52 -0.163 -9.433 -0.379 436 HA PHE 52 HA PHE 52 -1.454 -11.466 -1.912 437 HB2 PHE 52 2HB PHE 52 0.685 -9.456 -2.617 438 HB3 PHE 52 3HB PHE 52 0.006 -10.592 -3.782 439 HD1 PHE 52 HD1 PHE 52 -2.474 -10.514 -4.232 440 HD2 PHE 52 HD2 PHE 52 -0.427 -7.463 -2.089 441 HE1 PHE 52 HE1 PHE 52 -4.353 -8.978 -4.633 442 HE2 PHE 52 HE2 PHE 52 -2.301 -5.923 -2.483 443 HZ PHE 52 HZ PHE 52 -4.266 -6.680 -3.758 444 H GLY 53 H GLY 53 1.602 -11.209 -0.284 445 HA2 GLY 53 2HA GLY 53 2.934 -13.377 -1.492 446 HA3 GLY 53 3HA GLY 53 3.157 -12.843 0.172 447 H GLN 54 H GLN 54 0.384 -13.234 0.905 448 HA GLN 54 HA GLN 54 0.432 -16.109 1.332 449 HB2 GLN 54 2HB GLN 54 -1.446 -13.973 2.364 450 HB3 GLN 54 3HB GLN 54 -1.476 -15.662 2.849 451 HG2 GLN 54 2HG GLN 54 0.869 -13.828 3.244 452 HG3 GLN 54 3HG GLN 54 -0.361 -14.153 4.463 453 HE21 GLN 54 1HE2 GLN 54 -0.424 -16.135 5.469 454 HE22 GLN 54 2HE2 GLN 54 0.881 -17.275 5.372 455 H LEU 55 H LEU 55 -1.338 -13.720 -0.477 456 HA LEU 55 HA LEU 55 -3.526 -15.485 -1.121 457 HB2 LEU 55 2HB LEU 55 -2.790 -12.743 -2.138 458 HB3 LEU 55 3HB LEU 55 -4.245 -13.604 -2.596 459 HG LEU 55 HG LEU 55 -3.568 -12.764 0.223 460 HD11 LEU 55 1HD1 LEU 55 -3.965 -10.836 -1.199 461 HD12 LEU 55 2HD1 LEU 55 -5.317 -11.077 -0.092 462 HD13 LEU 55 3HD1 LEU 55 -5.465 -11.554 -1.784 463 HD21 LEU 55 3HD2 LEU 55 -5.897 -13.342 0.687 464 HD22 LEU 55 1HD2 LEU 55 -4.994 -14.742 0.109 465 HD23 LEU 55 2HD2 LEU 55 -6.095 -13.893 -0.977 466 H GLU 56 H GLU 56 -0.423 -15.290 -2.239 467 HA GLU 56 HA GLU 56 -0.792 -15.575 -5.031 468 HB2 GLU 56 2HB GLU 56 1.400 -15.470 -3.263 469 HB3 GLU 56 3HB GLU 56 1.524 -17.019 -4.087 470 HG2 GLU 56 2HG GLU 56 1.177 -14.403 -5.529 471 HG3 GLU 56 3HG GLU 56 2.747 -15.110 -5.159 472 H HIS 57 H HIS 57 -2.204 -17.075 -5.697 473 HA HIS 57 HA HIS 57 -1.984 -19.794 -4.612 474 HB2 HIS 57 2HB HIS 57 -4.222 -18.475 -6.160 475 HB3 HIS 57 3HB HIS 57 -4.222 -20.161 -5.652 476 HD1 HIS 57 HD1 HIS 57 -5.449 -16.978 -4.626 477 HD2 HIS 57 HD2 HIS 57 -3.871 -20.281 -2.642 478 HE1 HIS 57 HE1 HIS 57 -6.202 -16.763 -2.235 479 HE2 HIS 57 HE2 HIS 57 -5.234 -18.764 -1.047 480 H HIS 58 H HIS 58 -0.848 -18.017 -7.105 481 HA HIS 58 HA HIS 58 -1.022 -20.092 -9.144 482 HB2 HIS 58 2HB HIS 58 -1.019 -17.600 -9.656 483 HB3 HIS 58 3HB HIS 58 0.667 -17.578 -9.157 484 HD1 HIS 58 HD1 HIS 58 1.841 -17.159 -11.309 485 HD2 HIS 58 HD2 HIS 58 -0.978 -20.204 -11.612 486 HE1 HIS 58 HE1 HIS 58 2.110 -18.105 -13.628 487 HE2 HIS 58 HE2 HIS 58 0.483 -20.033 -13.743 488 H HIS 59 H HIS 59 1.170 -18.739 -6.791 489 HA HIS 59 HA HIS 59 3.000 -21.004 -7.200 490 HB2 HIS 59 2HB HIS 59 3.262 -18.401 -5.704 491 HB3 HIS 59 3HB HIS 59 4.324 -19.757 -5.350 492 HD1 HIS 59 HD1 HIS 59 6.500 -19.312 -6.394 493 HD2 HIS 59 HD2 HIS 59 3.350 -18.150 -8.849 494 HE1 HIS 59 HE1 HIS 59 7.565 -18.458 -8.509 495 HE2 HIS 59 HE2 HIS 59 5.647 -17.560 -9.877 496 H HIS 60 H HIS 60 1.753 -22.666 -6.334 497 HA HIS 60 HA HIS 60 1.485 -22.603 -3.438 498 HB2 HIS 60 2HB HIS 60 -0.685 -21.783 -4.293 499 HB3 HIS 60 3HB HIS 60 -0.861 -23.260 -5.232 500 HD1 HIS 60 HD1 HIS 60 -1.132 -21.904 -1.766 501 HD2 HIS 60 HD2 HIS 60 -1.519 -25.560 -3.719 502 HE1 HIS 60 HE1 HIS 60 -2.246 -23.449 -0.117 503 HE2 HIS 60 HE2 HIS 60 -2.572 -25.614 -1.360 504 H HIS 61 H HIS 61 3.006 -24.197 -3.231 505 HA HIS 61 HA HIS 61 1.821 -26.808 -3.327 506 HB2 HIS 61 2HB HIS 61 3.554 -27.969 -4.553 507 HB3 HIS 61 3HB HIS 61 2.881 -26.714 -5.578 508 HD1 HIS 61 HD1 HIS 61 4.487 -25.032 -6.539 509 HD2 HIS 61 HD2 HIS 61 6.205 -27.392 -3.576 510 HE1 HIS 61 HE1 HIS 61 6.945 -24.500 -6.583 511 HE2 HIS 61 HE2 HIS 61 7.916 -25.777 -4.641 512 H HIS 62 H HIS 62 2.538 -28.051 -1.664 513 HA HIS 62 HA HIS 62 4.752 -26.915 -0.078 514 HB2 HIS 62 2HB HIS 62 2.436 -26.739 0.923 515 HB3 HIS 62 3HB HIS 62 2.412 -28.495 1.007 516 HD1 HIS 62 HD1 HIS 62 3.541 -29.571 2.986 517 HD2 HIS 62 HD2 HIS 62 4.409 -25.519 2.638 518 HE1 HIS 62 HE1 HIS 62 4.721 -28.942 5.116 519 HE2 HIS 62 HE2 HIS 62 5.070 -26.449 4.962 Start of MODEL 8 1 H1 MET 1 1H MET 1 -11.038 10.715 -4.691 2 H2 MET 1 2H MET 1 -9.347 10.813 -4.745 3 H3 MET 1 3H MET 1 -10.113 10.205 -3.363 4 HA MET 1 HA MET 1 -10.949 8.328 -4.631 5 HB2 MET 1 2HB MET 1 -9.267 9.549 -6.832 6 HB3 MET 1 3HB MET 1 -9.965 7.937 -6.890 7 HG2 MET 1 2HG MET 1 -12.190 8.844 -6.833 8 HG3 MET 1 3HG MET 1 -11.558 10.474 -6.623 9 HE1 MET 1 3HE MET 1 -9.087 10.505 -8.600 10 HE2 MET 1 1HE MET 1 -10.263 11.816 -8.503 11 HE3 MET 1 2HE MET 1 -9.833 11.132 -10.070 12 H ASN 2 H ASN 2 -7.681 9.639 -5.201 13 HA ASN 2 HA ASN 2 -6.522 7.222 -4.023 14 HB2 ASN 2 2HB ASN 2 -5.263 9.634 -5.350 15 HB3 ASN 2 3HB ASN 2 -4.339 8.325 -4.624 16 HD21 ASN 2 1HD2 ASN 2 -6.202 6.263 -5.448 17 HD22 ASN 2 2HD2 ASN 2 -5.985 6.070 -7.160 18 H LEU 3 H LEU 3 -5.017 7.378 -2.267 19 HA LEU 3 HA LEU 3 -5.809 9.477 -0.391 20 HB2 LEU 3 2HB LEU 3 -4.348 6.881 0.052 21 HB3 LEU 3 3HB LEU 3 -4.713 8.041 1.316 22 HG LEU 3 HG LEU 3 -6.653 6.371 -0.268 23 HD11 LEU 3 1HD1 LEU 3 -7.294 5.566 1.934 24 HD12 LEU 3 2HD1 LEU 3 -6.102 6.628 2.682 25 HD13 LEU 3 3HD1 LEU 3 -5.577 5.301 1.641 26 HD21 LEU 3 3HD2 LEU 3 -7.256 8.637 1.630 27 HD22 LEU 3 1HD2 LEU 3 -8.441 7.515 0.966 28 HD23 LEU 3 2HD2 LEU 3 -7.574 8.616 -0.105 29 H ARG 4 H ARG 4 -3.872 9.813 1.287 30 HA ARG 4 HA ARG 4 -1.803 11.098 -0.316 31 HB2 ARG 4 2HB ARG 4 -2.392 11.330 2.642 32 HB3 ARG 4 3HB ARG 4 -1.287 12.342 1.716 33 HG2 ARG 4 2HG ARG 4 -3.109 13.256 0.441 34 HG3 ARG 4 3HG ARG 4 -4.248 12.150 1.211 35 HD2 ARG 4 2HD ARG 4 -3.703 13.209 3.392 36 HD3 ARG 4 3HD ARG 4 -2.704 14.377 2.527 37 HE ARG 4 HE ARG 4 -5.546 14.111 1.824 38 HH11 ARG 4 1HH1 ARG 4 -2.941 15.996 3.209 39 HH12 ARG 4 2HH1 ARG 4 -3.845 17.481 3.194 40 HH21 ARG 4 1HH2 ARG 4 -6.743 16.074 1.820 41 HH22 ARG 4 2HH2 ARG 4 -5.988 17.530 2.415 42 H TRP 5 H TRP 5 0.128 10.236 -0.532 43 HA TRP 5 HA TRP 5 0.734 7.880 1.112 44 HB2 TRP 5 2HB TRP 5 1.644 8.677 -1.657 45 HB3 TRP 5 3HB TRP 5 2.325 7.321 -0.768 46 HD1 TRP 5 HD1 TRP 5 -1.269 8.422 -1.829 47 HE1 TRP 5 HE1 TRP 5 -2.536 6.310 -2.592 48 HE3 TRP 5 HE3 TRP 5 2.385 4.942 -0.973 49 HZ2 TRP 5 HZ2 TRP 5 -2.034 3.543 -2.805 50 HZ3 TRP 5 HZ3 TRP 5 1.907 2.586 -1.484 51 HH2 TRP 5 HH2 TRP 5 -0.261 1.901 -2.381 52 H THR 6 H THR 6 2.500 7.806 2.362 53 HA THR 6 HA THR 6 4.156 10.113 2.698 54 HB THR 6 HB THR 6 5.493 8.563 4.203 55 HG1 THR 6 HG1 THR 6 3.405 6.726 4.168 56 HG21 THR 6 3HG2 THR 6 3.749 8.408 5.924 57 HG22 THR 6 1HG2 THR 6 2.520 8.745 4.704 58 HG23 THR 6 2HG2 THR 6 3.719 9.975 5.109 59 H SER 7 H SER 7 6.496 10.139 2.369 60 HA SER 7 HA SER 7 7.226 9.461 -0.241 61 HB2 SER 7 2HB SER 7 9.108 9.972 2.075 62 HB3 SER 7 3HB SER 7 9.439 10.220 0.358 63 HG SER 7 HG SER 7 8.249 12.001 0.353 64 H GLU 8 H GLU 8 7.784 7.790 2.804 65 HA GLU 8 HA GLU 8 9.461 5.765 1.709 66 HB2 GLU 8 2HB GLU 8 7.865 5.824 4.276 67 HB3 GLU 8 3HB GLU 8 9.072 4.610 3.868 68 HG2 GLU 8 2HG GLU 8 10.799 6.307 3.814 69 HG3 GLU 8 3HG GLU 8 9.603 7.557 4.151 70 H ALA 9 H ALA 9 5.995 6.098 2.206 71 HA ALA 9 HA ALA 9 5.322 3.404 1.614 72 HB1 ALA 9 3HB ALA 9 3.634 5.887 1.297 73 HB2 ALA 9 1HB ALA 9 3.757 4.900 2.754 74 HB3 ALA 9 2HB ALA 9 3.046 4.225 1.289 75 H LYS 10 H LYS 10 5.649 6.326 -0.346 76 HA LYS 10 HA LYS 10 4.856 5.262 -2.814 77 HB2 LYS 10 2HB LYS 10 7.010 7.328 -2.304 78 HB3 LYS 10 3HB LYS 10 6.190 7.049 -3.832 79 HG2 LYS 10 2HG LYS 10 4.105 7.815 -2.902 80 HG3 LYS 10 3HG LYS 10 4.843 7.984 -1.306 81 HD2 LYS 10 2HD LYS 10 6.450 9.613 -2.334 82 HD3 LYS 10 3HD LYS 10 5.479 9.548 -3.802 83 HE2 LYS 10 2HE LYS 10 4.465 10.373 -1.086 84 HE3 LYS 10 3HE LYS 10 4.942 11.484 -2.367 85 HZ1 LYS 10 3HZ LYS 10 3.202 10.409 -3.769 86 HZ2 LYS 10 1HZ LYS 10 2.596 11.262 -2.435 87 HZ3 LYS 10 2HZ LYS 10 2.675 9.575 -2.398 88 H THR 11 H THR 11 8.011 5.350 -1.224 89 HA THR 11 HA THR 11 9.510 4.094 -3.230 90 HB THR 11 HB THR 11 9.971 3.938 -0.240 91 HG1 THR 11 HG1 THR 11 9.839 6.109 -0.836 92 HG21 THR 11 3HG2 THR 11 12.326 3.678 -0.848 93 HG22 THR 11 1HG2 THR 11 11.903 3.731 -2.558 94 HG23 THR 11 2HG2 THR 11 11.355 2.387 -1.556 95 H LYS 12 H LYS 12 7.801 2.750 -0.416 96 HA LYS 12 HA LYS 12 8.496 0.057 -0.853 97 HB2 LYS 12 2HB LYS 12 6.291 1.418 0.654 98 HB3 LYS 12 3HB LYS 12 6.323 -0.334 0.506 99 HG2 LYS 12 2HG LYS 12 8.633 1.254 1.582 100 HG3 LYS 12 3HG LYS 12 7.333 0.624 2.600 101 HD2 LYS 12 2HD LYS 12 7.835 -1.649 1.747 102 HD3 LYS 12 3HD LYS 12 9.204 -0.980 0.849 103 HE2 LYS 12 2HE LYS 12 10.303 -0.342 2.864 104 HE3 LYS 12 3HE LYS 12 8.879 -0.714 3.834 105 HZ1 LYS 12 3HZ LYS 12 10.589 -2.438 3.982 106 HZ2 LYS 12 1HZ LYS 12 10.468 -2.711 2.311 107 HZ3 LYS 12 2HZ LYS 12 9.146 -3.040 3.324 108 H LEU 13 H LEU 13 5.774 2.007 -2.003 109 HA LEU 13 HA LEU 13 4.292 -0.069 -3.179 110 HB2 LEU 13 2HB LEU 13 3.412 2.202 -2.825 111 HB3 LEU 13 3HB LEU 13 4.516 2.821 -4.037 112 HG LEU 13 HG LEU 13 3.359 1.420 -5.742 113 HD11 LEU 13 1HD1 LEU 13 1.428 0.894 -3.492 114 HD12 LEU 13 2HD1 LEU 13 2.467 -0.295 -4.277 115 HD13 LEU 13 3HD1 LEU 13 1.170 0.480 -5.186 116 HD21 LEU 13 3HD2 LEU 13 1.629 3.364 -4.218 117 HD22 LEU 13 1HD2 LEU 13 1.350 2.822 -5.873 118 HD23 LEU 13 2HD2 LEU 13 2.789 3.764 -5.486 119 H LYS 14 H LYS 14 6.849 2.005 -4.464 120 HA LYS 14 HA LYS 14 6.793 0.939 -7.099 121 HB2 LYS 14 2HB LYS 14 9.006 2.388 -5.640 122 HB3 LYS 14 3HB LYS 14 8.958 2.095 -7.371 123 HG2 LYS 14 2HG LYS 14 7.090 3.542 -7.645 124 HG3 LYS 14 3HG LYS 14 6.863 3.670 -5.899 125 HD2 LYS 14 2HD LYS 14 9.079 4.752 -5.727 126 HD3 LYS 14 3HD LYS 14 9.218 4.690 -7.487 127 HE2 LYS 14 2HE LYS 14 7.298 6.125 -7.731 128 HE3 LYS 14 3HE LYS 14 7.012 6.099 -5.991 129 HZ1 LYS 14 3HZ LYS 14 9.373 7.270 -7.366 130 HZ2 LYS 14 1HZ LYS 14 9.176 7.181 -5.683 131 HZ3 LYS 14 2HZ LYS 14 8.122 8.129 -6.608 132 H ASN 15 H ASN 15 7.933 -0.325 -4.184 133 HA ASN 15 HA ASN 15 10.083 -1.910 -5.269 134 HB2 ASN 15 2HB ASN 15 9.675 -1.098 -2.798 135 HB3 ASN 15 3HB ASN 15 8.690 -2.553 -2.691 136 HD21 ASN 15 1HD2 ASN 15 11.818 -1.247 -2.716 137 HD22 ASN 15 2HD2 ASN 15 12.702 -2.730 -2.567 138 H ILE 16 H ILE 16 6.691 -2.092 -5.024 139 HA ILE 16 HA ILE 16 6.528 -4.976 -5.283 140 HB ILE 16 HB ILE 16 4.346 -2.876 -5.413 141 HG12 ILE 16 2HG1 ILE 16 5.260 -4.627 -3.116 142 HG13 ILE 16 3HG1 ILE 16 5.504 -2.890 -3.244 143 HG21 ILE 16 1HG2 ILE 16 4.181 -5.874 -5.098 144 HG22 ILE 16 2HG2 ILE 16 3.672 -4.933 -6.501 145 HG23 ILE 16 3HG2 ILE 16 2.820 -4.755 -4.967 146 HD11 ILE 16 3HD1 ILE 16 3.078 -2.555 -3.161 147 HD12 ILE 16 1HD1 ILE 16 3.688 -3.397 -1.734 148 HD13 ILE 16 2HD1 ILE 16 2.857 -4.298 -3.001 149 HA PRO 17 HA PRO 17 6.928 -5.078 -9.714 150 HB2 PRO 17 2HB PRO 17 5.181 -7.230 -10.094 151 HB3 PRO 17 3HB PRO 17 6.916 -7.349 -9.783 152 HG2 PRO 17 2HG PRO 17 4.628 -7.606 -7.886 153 HG3 PRO 17 3HG PRO 17 6.154 -8.507 -7.933 154 HD2 PRO 17 2HD PRO 17 5.754 -6.576 -6.136 155 HD3 PRO 17 3HD PRO 17 7.340 -6.782 -6.907 156 H PHE 18 H PHE 18 5.891 -4.078 -11.329 157 HA PHE 18 HA PHE 18 3.725 -2.450 -10.936 158 HB2 PHE 18 2HB PHE 18 5.242 -2.149 -12.801 159 HB3 PHE 18 3HB PHE 18 4.691 -3.654 -13.533 160 HD1 PHE 18 HD2 PHE 18 3.519 -0.282 -12.505 161 HD2 PHE 18 HD1 PHE 18 2.925 -3.648 -15.034 162 HE1 PHE 18 HE2 PHE 18 1.787 0.953 -13.734 163 HE2 PHE 18 HE1 PHE 18 1.182 -2.421 -16.261 164 HZ PHE 18 HZ PHE 18 0.612 -0.117 -15.614 165 H PHE 19 H PHE 19 3.698 -5.720 -12.267 166 HA PHE 19 HA PHE 19 1.070 -5.793 -13.187 167 HB2 PHE 19 2HB PHE 19 2.667 -7.511 -13.768 168 HB3 PHE 19 3HB PHE 19 2.818 -7.998 -12.086 169 HD1 PHE 19 HD2 PHE 19 0.348 -7.776 -14.858 170 HD2 PHE 19 HD1 PHE 19 1.503 -9.702 -11.242 171 HE1 PHE 19 HE2 PHE 19 -1.437 -9.439 -15.179 172 HE2 PHE 19 HE1 PHE 19 -0.280 -11.371 -11.557 173 HZ PHE 19 HZ PHE 19 -1.753 -11.239 -13.527 174 H ALA 20 H ALA 20 2.330 -6.195 -9.935 175 HA ALA 20 HA ALA 20 -0.413 -6.714 -8.982 176 HB1 ALA 20 3HB ALA 20 1.191 -8.509 -8.484 177 HB2 ALA 20 1HB ALA 20 0.566 -7.753 -7.020 178 HB3 ALA 20 2HB ALA 20 2.187 -7.357 -7.593 179 H ARG 21 H ARG 21 1.676 -4.257 -9.365 180 HA ARG 21 HA ARG 21 1.786 -3.115 -6.769 181 HB2 ARG 21 2HB ARG 21 3.450 -2.569 -8.482 182 HB3 ARG 21 3HB ARG 21 2.204 -1.815 -9.468 183 HG2 ARG 21 2HG ARG 21 1.969 -0.014 -8.016 184 HG3 ARG 21 3HG ARG 21 2.749 -0.865 -6.684 185 HD2 ARG 21 2HD ARG 21 4.247 0.812 -7.539 186 HD3 ARG 21 3HD ARG 21 4.881 -0.785 -7.927 187 HE ARG 21 HE ARG 21 4.535 -0.365 -10.173 188 HH11 ARG 21 1HH1 ARG 21 3.119 2.193 -8.258 189 HH12 ARG 21 2HH1 ARG 21 3.042 3.319 -9.580 190 HH21 ARG 21 1HH2 ARG 21 4.474 1.113 -11.902 191 HH22 ARG 21 2HH2 ARG 21 3.812 2.700 -11.651 192 H SER 22 H SER 22 -0.243 -2.442 -9.610 193 HA SER 22 HA SER 22 -1.778 -0.408 -8.419 194 HB2 SER 22 2HB SER 22 -2.610 -2.364 -10.579 195 HB3 SER 22 3HB SER 22 -3.357 -0.799 -10.241 196 HG SER 22 HG SER 22 -1.318 0.168 -10.743 197 H GLN 23 H GLN 23 -2.069 -3.893 -8.464 198 HA GLN 23 HA GLN 23 -4.633 -4.067 -7.278 199 HB2 GLN 23 2HB GLN 23 -3.715 -5.907 -8.548 200 HB3 GLN 23 3HB GLN 23 -2.348 -6.035 -7.454 201 HG2 GLN 23 2HG GLN 23 -3.792 -6.786 -5.674 202 HG3 GLN 23 3HG GLN 23 -5.212 -6.555 -6.695 203 HE21 GLN 23 1HE2 GLN 23 -5.776 -8.733 -6.450 204 HE22 GLN 23 2HE2 GLN 23 -4.919 -9.989 -7.287 205 H ALA 24 H ALA 24 -1.337 -4.335 -5.945 206 HA ALA 24 HA ALA 24 -2.128 -4.652 -3.255 207 HB1 ALA 24 3HB ALA 24 0.147 -5.138 -4.064 208 HB2 ALA 24 1HB ALA 24 0.146 -4.050 -2.673 209 HB3 ALA 24 2HB ALA 24 0.419 -3.411 -4.295 210 H LYS 25 H LYS 25 -1.368 -1.774 -5.184 211 HA LYS 25 HA LYS 25 -1.570 0.168 -3.207 212 HB2 LYS 25 2HB LYS 25 -0.764 0.752 -5.377 213 HB3 LYS 25 3HB LYS 25 -2.259 0.236 -6.142 214 HG2 LYS 25 2HG LYS 25 -3.449 2.082 -5.132 215 HG3 LYS 25 3HG LYS 25 -1.989 2.572 -4.269 216 HD2 LYS 25 2HD LYS 25 -0.880 3.136 -6.294 217 HD3 LYS 25 3HD LYS 25 -2.146 2.387 -7.268 218 HE2 LYS 25 2HE LYS 25 -2.481 4.810 -5.505 219 HE3 LYS 25 3HE LYS 25 -2.321 4.831 -7.263 220 HZ1 LYS 25 3HZ LYS 25 -4.585 4.915 -6.959 221 HZ2 LYS 25 1HZ LYS 25 -4.575 3.883 -5.610 222 HZ3 LYS 25 2HZ LYS 25 -4.343 3.254 -7.176 223 H ALA 26 H ALA 26 -4.112 -1.309 -5.184 224 HA ALA 26 HA ALA 26 -6.275 0.190 -4.252 225 HB1 ALA 26 3HB ALA 26 -6.442 -1.303 -6.174 226 HB2 ALA 26 1HB ALA 26 -7.676 -1.682 -4.973 227 HB3 ALA 26 2HB ALA 26 -6.243 -2.700 -5.115 228 H ARG 27 H ARG 27 -4.723 -2.696 -2.923 229 HA ARG 27 HA ARG 27 -6.575 -2.924 -0.750 230 HB2 ARG 27 2HB ARG 27 -3.880 -4.175 -1.244 231 HB3 ARG 27 3HB ARG 27 -4.825 -4.490 0.200 232 HG2 ARG 27 2HG ARG 27 -6.644 -4.968 -1.782 233 HG3 ARG 27 3HG ARG 27 -5.134 -5.525 -2.510 234 HD2 ARG 27 2HD ARG 27 -6.159 -7.374 -1.360 235 HD3 ARG 27 3HD ARG 27 -4.722 -6.884 -0.461 236 HE ARG 27 HE ARG 27 -7.135 -5.634 0.474 237 HH11 ARG 27 1HH1 ARG 27 -5.216 -8.562 0.676 238 HH12 ARG 27 2HH1 ARG 27 -5.720 -8.936 2.297 239 HH21 ARG 27 1HH2 ARG 27 -7.859 -6.159 2.567 240 HH22 ARG 27 2HH2 ARG 27 -7.262 -7.583 3.355 241 H ILE 28 H ILE 28 -3.456 -1.355 -1.195 242 HA ILE 28 HA ILE 28 -2.908 -0.787 1.509 243 HB ILE 28 HB ILE 28 -2.144 0.829 -0.933 244 HG12 ILE 28 2HG1 ILE 28 -0.503 -1.186 0.603 245 HG13 ILE 28 3HG1 ILE 28 -1.401 -1.581 -0.856 246 HG21 ILE 28 1HG2 ILE 28 -0.344 1.733 0.480 247 HG22 ILE 28 2HG2 ILE 28 -1.010 0.867 1.866 248 HG23 ILE 28 3HG2 ILE 28 -1.942 2.154 1.099 249 HD11 ILE 28 3HD1 ILE 28 0.927 -1.204 -1.364 250 HD12 ILE 28 1HD1 ILE 28 0.851 0.399 -0.636 251 HD13 ILE 28 2HD1 ILE 28 -0.067 0.054 -2.102 252 H GLU 29 H GLU 29 -4.459 1.232 -0.988 253 HA GLU 29 HA GLU 29 -5.161 3.306 0.817 254 HB2 GLU 29 2HB GLU 29 -6.393 2.623 -1.869 255 HB3 GLU 29 3HB GLU 29 -6.563 4.153 -1.016 256 HG2 GLU 29 2HG GLU 29 -4.106 4.447 -1.163 257 HG3 GLU 29 3HG GLU 29 -4.028 2.991 -2.148 258 H GLN 30 H GLN 30 -6.610 0.290 -0.082 259 HA GLN 30 HA GLN 30 -9.179 0.646 1.030 260 HB2 GLN 30 2HB GLN 30 -8.611 -1.248 -0.411 261 HB3 GLN 30 3HB GLN 30 -7.469 -1.841 0.785 262 HG2 GLN 30 2HG GLN 30 -9.356 -2.177 2.350 263 HG3 GLN 30 3HG GLN 30 -10.461 -1.704 1.058 264 HE21 GLN 30 1HE2 GLN 30 -10.720 -3.077 -0.726 265 HE22 GLN 30 2HE2 GLN 30 -10.233 -4.740 -0.681 266 H LEU 31 H LEU 31 -6.156 -0.629 2.390 267 HA LEU 31 HA LEU 31 -7.098 -1.214 4.962 268 HB2 LEU 31 2HB LEU 31 -4.330 -0.414 4.053 269 HB3 LEU 31 3HB LEU 31 -4.704 -1.080 5.631 270 HG LEU 31 HG LEU 31 -5.233 -2.553 3.052 271 HD11 LEU 31 1HD1 LEU 31 -2.836 -2.120 3.267 272 HD12 LEU 31 2HD1 LEU 31 -3.203 -3.827 3.522 273 HD13 LEU 31 3HD1 LEU 31 -2.861 -2.783 4.903 274 HD21 LEU 31 3HD2 LEU 31 -5.054 -3.503 5.911 275 HD22 LEU 31 1HD2 LEU 31 -5.398 -4.499 4.500 276 HD23 LEU 31 2HD2 LEU 31 -6.550 -3.262 5.008 277 H ALA 32 H ALA 32 -5.799 1.781 3.606 278 HA ALA 32 HA ALA 32 -5.734 3.137 6.125 279 HB1 ALA 32 3HB ALA 32 -4.245 3.761 4.307 280 HB2 ALA 32 1HB ALA 32 -5.230 5.131 4.830 281 HB3 ALA 32 2HB ALA 32 -5.629 4.271 3.341 282 H ARG 33 H ARG 33 -8.025 3.038 3.409 283 HA ARG 33 HA ARG 33 -9.804 4.943 4.574 284 HB2 ARG 33 2HB ARG 33 -10.264 2.850 2.438 285 HB3 ARG 33 3HB ARG 33 -11.466 4.043 2.920 286 HG2 ARG 33 2HG ARG 33 -9.847 5.829 2.298 287 HG3 ARG 33 3HG ARG 33 -8.781 4.573 1.669 288 HD2 ARG 33 2HD ARG 33 -11.602 5.052 0.729 289 HD3 ARG 33 3HD ARG 33 -10.164 5.688 -0.065 290 HE ARG 33 HE ARG 33 -10.194 2.823 0.282 291 HH11 ARG 33 1HH1 ARG 33 -10.987 5.519 -1.808 292 HH12 ARG 33 2HH1 ARG 33 -11.055 4.558 -3.252 293 HH21 ARG 33 1HH2 ARG 33 -10.278 1.545 -1.625 294 HH22 ARG 33 2HH2 ARG 33 -10.656 2.300 -3.144 295 H GLN 34 H GLN 34 -9.186 1.610 5.054 296 HA GLN 34 HA GLN 34 -11.598 0.956 6.446 297 HB2 GLN 34 2HB GLN 34 -9.865 -0.633 5.399 298 HB3 GLN 34 3HB GLN 34 -8.896 -0.332 6.832 299 HG2 GLN 34 2HG GLN 34 -10.741 -1.186 8.223 300 HG3 GLN 34 3HG GLN 34 -11.638 -1.559 6.751 301 HE21 GLN 34 1HE2 GLN 34 -9.068 -2.262 5.392 302 HE22 GLN 34 2HE2 GLN 34 -8.687 -3.847 5.966 303 H ALA 35 H ALA 35 -8.490 2.327 7.260 304 HA ALA 35 HA ALA 35 -9.044 2.408 10.107 305 HB1 ALA 35 3HB ALA 35 -6.864 3.502 10.281 306 HB2 ALA 35 1HB ALA 35 -6.764 3.596 8.521 307 HB3 ALA 35 2HB ALA 35 -6.759 2.025 9.324 308 H GLU 36 H GLU 36 -9.887 4.164 7.422 309 HA GLU 36 HA GLU 36 -11.048 6.076 7.096 310 HB2 GLU 36 2HB GLU 36 -11.271 6.047 10.112 311 HB3 GLU 36 3HB GLU 36 -12.201 7.090 9.041 312 HG2 GLU 36 2HG GLU 36 -13.240 5.157 8.015 313 HG3 GLU 36 3HG GLU 36 -12.272 4.081 9.021 314 H GLN 37 H GLN 37 -8.471 6.420 6.783 315 HA GLN 37 HA GLN 37 -8.014 9.111 7.854 316 HB2 GLN 37 2HB GLN 37 -5.638 8.616 8.219 317 HB3 GLN 37 3HB GLN 37 -6.660 7.597 9.223 318 HG2 GLN 37 2HG GLN 37 -6.399 5.816 7.450 319 HG3 GLN 37 3HG GLN 37 -5.138 6.836 6.752 320 HE21 GLN 37 1HE2 GLN 37 -3.502 5.380 7.140 321 HE22 GLN 37 2HE2 GLN 37 -2.921 5.021 8.728 322 H ASP 38 H ASP 38 -6.106 10.154 6.572 323 HA ASP 38 HA ASP 38 -6.779 9.736 3.748 324 HB2 ASP 38 2HB ASP 38 -5.313 12.022 5.088 325 HB3 ASP 38 3HB ASP 38 -5.732 11.945 3.381 326 H ILE 39 H ILE 39 -4.177 9.423 5.980 327 HA ILE 39 HA ILE 39 -2.196 9.390 3.821 328 HB ILE 39 HB ILE 39 -1.723 9.543 6.801 329 HG12 ILE 39 2HG1 ILE 39 -1.564 11.780 4.776 330 HG13 ILE 39 3HG1 ILE 39 -2.971 11.496 5.794 331 HG21 ILE 39 1HG2 ILE 39 0.173 8.638 5.589 332 HG22 ILE 39 2HG2 ILE 39 0.536 10.273 6.145 333 HG23 ILE 39 3HG2 ILE 39 0.118 9.988 4.456 334 HD11 ILE 39 3HD1 ILE 39 -0.200 12.104 6.791 335 HD12 ILE 39 1HD1 ILE 39 -1.649 11.896 7.776 336 HD13 ILE 39 2HD1 ILE 39 -1.527 13.260 6.663 337 H VAL 40 H VAL 40 -0.991 7.619 3.372 338 HA VAL 40 HA VAL 40 -1.555 5.191 4.938 339 HB VAL 40 HB VAL 40 -0.921 3.869 3.048 340 HG11 VAL 40 1HG1 VAL 40 -3.199 4.631 2.978 341 HG12 VAL 40 2HG1 VAL 40 -2.553 4.599 1.337 342 HG13 VAL 40 3HG1 VAL 40 -2.712 6.133 2.193 343 HG21 VAL 40 3HG2 VAL 40 -0.138 4.784 0.943 344 HG22 VAL 40 1HG2 VAL 40 0.945 5.250 2.255 345 HG23 VAL 40 2HG2 VAL 40 -0.212 6.417 1.606 346 H THR 41 H THR 41 0.092 4.003 5.801 347 HA THR 41 HA THR 41 2.725 5.280 5.777 348 HB THR 41 HB THR 41 3.136 3.837 7.809 349 HG1 THR 41 HG1 THR 41 1.422 2.789 8.731 350 HG21 THR 41 3HG2 THR 41 0.841 5.793 7.931 351 HG22 THR 41 1HG2 THR 41 2.556 6.184 8.049 352 HG23 THR 41 2HG2 THR 41 1.778 5.235 9.315 353 HA PRO 42 HA PRO 42 4.785 2.060 3.545 354 HB2 PRO 42 2HB PRO 42 6.567 1.780 5.913 355 HB3 PRO 42 3HB PRO 42 6.981 2.024 4.214 356 HG2 PRO 42 2HG PRO 42 7.135 4.022 5.986 357 HG3 PRO 42 3HG PRO 42 6.629 4.297 4.310 358 HD2 PRO 42 2HD PRO 42 5.010 4.277 6.798 359 HD3 PRO 42 3HD PRO 42 4.766 5.180 5.293 360 H GLU 43 H GLU 43 4.001 1.469 6.937 361 HA GLU 43 HA GLU 43 4.335 -1.315 6.956 362 HB2 GLU 43 2HB GLU 43 2.640 0.552 8.589 363 HB3 GLU 43 3HB GLU 43 2.544 -1.187 8.820 364 HG2 GLU 43 2HG GLU 43 4.028 -0.187 10.437 365 HG3 GLU 43 3HG GLU 43 4.922 -1.253 9.356 366 H LEU 44 H LEU 44 1.504 0.680 6.159 367 HA LEU 44 HA LEU 44 -0.236 -1.514 5.707 368 HB2 LEU 44 2HB LEU 44 -0.305 1.395 5.051 369 HB3 LEU 44 3HB LEU 44 -1.424 0.327 4.226 370 HG LEU 44 HG LEU 44 -2.290 -0.421 6.428 371 HD11 LEU 44 1HD1 LEU 44 -0.327 0.034 7.796 372 HD12 LEU 44 2HD1 LEU 44 -1.749 0.860 8.430 373 HD13 LEU 44 3HD1 LEU 44 -0.533 1.765 7.529 374 HD21 LEU 44 3HD2 LEU 44 -3.546 1.597 6.911 375 HD22 LEU 44 1HD2 LEU 44 -3.403 1.347 5.171 376 HD23 LEU 44 2HD2 LEU 44 -2.396 2.552 5.974 377 H VAL 45 H VAL 45 1.976 0.290 3.646 378 HA VAL 45 HA VAL 45 1.246 -0.928 1.199 379 HB VAL 45 HB VAL 45 3.975 0.080 2.028 380 HG11 VAL 45 1HG1 VAL 45 2.817 -0.379 -0.720 381 HG12 VAL 45 2HG1 VAL 45 4.044 -1.372 0.065 382 HG13 VAL 45 3HG1 VAL 45 4.406 0.300 -0.363 383 HG21 VAL 45 3HG2 VAL 45 2.265 1.805 2.263 384 HG22 VAL 45 1HG2 VAL 45 1.735 1.516 0.605 385 HG23 VAL 45 2HG2 VAL 45 3.346 2.165 0.916 386 H GLU 46 H GLU 46 3.669 -1.727 3.642 387 HA GLU 46 HA GLU 46 4.705 -4.043 2.465 388 HB2 GLU 46 2HB GLU 46 5.573 -2.761 4.494 389 HB3 GLU 46 3HB GLU 46 4.354 -3.608 5.436 390 HG2 GLU 46 2HG GLU 46 6.468 -4.711 5.678 391 HG3 GLU 46 3HG GLU 46 5.369 -5.748 4.770 392 H GLN 47 H GLN 47 2.009 -3.585 4.717 393 HA GLN 47 HA GLN 47 1.279 -6.224 5.127 394 HB2 GLN 47 2HB GLN 47 -0.174 -3.627 5.208 395 HB3 GLN 47 3HB GLN 47 -1.116 -5.108 5.295 396 HG2 GLN 47 2HG GLN 47 1.226 -4.676 7.099 397 HG3 GLN 47 3HG GLN 47 -0.349 -3.981 7.476 398 HE21 GLN 47 1HE2 GLN 47 -0.168 -7.001 5.786 399 HE22 GLN 47 2HE2 GLN 47 -0.678 -8.002 7.100 400 H ALA 48 H ALA 48 0.355 -4.066 2.476 401 HA ALA 48 HA ALA 48 -1.493 -5.823 1.274 402 HB1 ALA 48 3HB ALA 48 -1.369 -3.442 0.730 403 HB2 ALA 48 1HB ALA 48 -1.248 -4.449 -0.713 404 HB3 ALA 48 2HB ALA 48 0.199 -3.702 -0.034 405 H ARG 49 H ARG 49 2.004 -5.466 0.950 406 HA ARG 49 HA ARG 49 2.200 -7.360 -1.193 407 HB2 ARG 49 2HB ARG 49 3.879 -5.584 -0.872 408 HB3 ARG 49 3HB ARG 49 4.343 -6.305 0.665 409 HG2 ARG 49 2HG ARG 49 5.212 -8.238 -0.413 410 HG3 ARG 49 3HG ARG 49 4.528 -7.749 -1.964 411 HD2 ARG 49 2HD ARG 49 6.950 -7.342 -1.830 412 HD3 ARG 49 3HD ARG 49 6.026 -5.865 -2.079 413 HE ARG 49 HE ARG 49 6.439 -6.165 0.675 414 HH11 ARG 49 1HH1 ARG 49 8.336 -5.677 -2.226 415 HH12 ARG 49 2HH1 ARG 49 9.552 -4.726 -1.430 416 HH21 ARG 49 1HH2 ARG 49 8.025 -4.904 1.735 417 HH22 ARG 49 2HH2 ARG 49 9.381 -4.283 0.823 418 H LEU 50 H LEU 50 2.418 -7.425 2.292 419 HA LEU 50 HA LEU 50 3.342 -10.045 2.659 420 HB2 LEU 50 2HB LEU 50 2.757 -8.026 4.312 421 HB3 LEU 50 3HB LEU 50 1.276 -8.943 4.497 422 HG LEU 50 HG LEU 50 2.903 -9.439 6.265 423 HD11 LEU 50 1HD1 LEU 50 1.329 -11.176 5.662 424 HD12 LEU 50 2HD1 LEU 50 2.886 -11.886 6.092 425 HD13 LEU 50 3HD1 LEU 50 2.413 -11.753 4.395 426 HD21 LEU 50 3HD2 LEU 50 4.938 -9.037 4.992 427 HD22 LEU 50 1HD2 LEU 50 4.629 -10.477 4.022 428 HD23 LEU 50 2HD2 LEU 50 4.967 -10.631 5.747 429 H GLU 51 H GLU 51 0.053 -8.750 2.338 430 HA GLU 51 HA GLU 51 -1.393 -11.114 2.614 431 HB2 GLU 51 2HB GLU 51 -1.957 -8.620 1.008 432 HB3 GLU 51 3HB GLU 51 -3.122 -9.925 1.183 433 HG2 GLU 51 2HG GLU 51 -1.916 -8.495 3.532 434 HG3 GLU 51 3HG GLU 51 -3.392 -7.956 2.732 435 H PHE 52 H PHE 52 -0.045 -9.641 -0.339 436 HA PHE 52 HA PHE 52 -0.957 -11.853 -1.946 437 HB2 PHE 52 2HB PHE 52 0.770 -9.466 -2.611 438 HB3 PHE 52 3HB PHE 52 0.321 -10.703 -3.783 439 HD1 PHE 52 HD2 PHE 52 -2.359 -11.278 -3.538 440 HD2 PHE 52 HD1 PHE 52 -0.464 -7.544 -2.785 441 HE1 PHE 52 HE2 PHE 52 -4.491 -10.119 -3.936 442 HE2 PHE 52 HE1 PHE 52 -2.596 -6.380 -3.172 443 HZ PHE 52 HZ PHE 52 -4.611 -7.668 -3.752 444 H GLY 53 H GLY 53 1.752 -11.273 0.007 445 HA2 GLY 53 2HA GLY 53 3.492 -13.186 -1.222 446 HA3 GLY 53 3HA GLY 53 3.568 -12.631 0.450 447 H GLN 54 H GLN 54 0.802 -13.280 0.968 448 HA GLN 54 HA GLN 54 0.995 -16.158 1.377 449 HB2 GLN 54 2HB GLN 54 -1.121 -14.174 2.246 450 HB3 GLN 54 3HB GLN 54 -1.026 -15.854 2.749 451 HG2 GLN 54 2HG GLN 54 0.979 -15.455 3.969 452 HG3 GLN 54 3HG GLN 54 1.117 -13.827 3.309 453 HE21 GLN 54 1HE2 GLN 54 -1.742 -13.298 3.568 454 HE22 GLN 54 2HE2 GLN 54 -2.027 -13.030 5.249 455 H LEU 55 H LEU 55 -0.246 -13.986 -0.861 456 HA LEU 55 HA LEU 55 -1.645 -14.098 -2.641 457 HB2 LEU 55 2HB LEU 55 -1.382 -17.047 -2.110 458 HB3 LEU 55 3HB LEU 55 -2.418 -16.428 -3.377 459 HG LEU 55 HG LEU 55 -0.399 -17.083 -4.413 460 HD11 LEU 55 1HD1 LEU 55 -0.368 -14.099 -4.031 461 HD12 LEU 55 2HD1 LEU 55 -1.273 -14.996 -5.250 462 HD13 LEU 55 3HD1 LEU 55 0.490 -14.974 -5.299 463 HD21 LEU 55 3HD2 LEU 55 1.018 -17.216 -2.447 464 HD22 LEU 55 1HD2 LEU 55 1.067 -15.456 -2.347 465 HD23 LEU 55 2HD2 LEU 55 1.800 -16.281 -3.722 466 H GLU 56 H GLU 56 -2.768 -13.285 -0.409 467 HA GLU 56 HA GLU 56 -4.773 -12.839 0.530 468 HB2 GLU 56 2HB GLU 56 -5.732 -14.568 -1.738 469 HB3 GLU 56 3HB GLU 56 -6.842 -13.934 -0.530 470 HG2 GLU 56 2HG GLU 56 -5.015 -12.220 -2.190 471 HG3 GLU 56 3HG GLU 56 -6.689 -12.586 -2.614 472 H HIS 57 H HIS 57 -5.170 -13.509 2.488 473 HA HIS 57 HA HIS 57 -4.819 -16.294 3.205 474 HB2 HIS 57 2HB HIS 57 -4.030 -14.416 4.667 475 HB3 HIS 57 3HB HIS 57 -5.712 -13.984 4.953 476 HD1 HIS 57 HD1 HIS 57 -6.754 -15.025 6.960 477 HD2 HIS 57 HD2 HIS 57 -3.462 -17.181 5.613 478 HE1 HIS 57 HE1 HIS 57 -6.407 -16.862 8.642 479 HE2 HIS 57 HE2 HIS 57 -4.534 -18.262 7.707 480 H HIS 58 H HIS 58 -7.252 -14.584 1.883 481 HA HIS 58 HA HIS 58 -9.363 -15.167 1.292 482 HB2 HIS 58 2HB HIS 58 -8.318 -17.586 2.078 483 HB3 HIS 58 3HB HIS 58 -9.743 -17.440 3.101 484 HD1 HIS 58 HD1 HIS 58 -8.689 -17.731 -0.481 485 HD2 HIS 58 HD2 HIS 58 -12.182 -17.686 1.784 486 HE1 HIS 58 HE1 HIS 58 -10.519 -18.496 -2.033 487 HE2 HIS 58 HE2 HIS 58 -12.640 -18.337 -0.679 488 H HIS 59 H HIS 59 -8.733 -15.672 4.735 489 HA HIS 59 HA HIS 59 -10.999 -13.876 5.312 490 HB2 HIS 59 2HB HIS 59 -9.960 -16.168 6.996 491 HB3 HIS 59 3HB HIS 59 -11.176 -15.012 7.525 492 HD1 HIS 59 HD1 HIS 59 -13.569 -15.341 6.681 493 HD2 HIS 59 HD2 HIS 59 -10.841 -18.054 5.092 494 HE1 HIS 59 HE1 HIS 59 -14.948 -17.111 5.543 495 HE2 HIS 59 HE2 HIS 59 -13.285 -18.847 4.792 496 H HIS 60 H HIS 60 -10.524 -12.091 6.467 497 HA HIS 60 HA HIS 60 -8.117 -12.012 8.095 498 HB2 HIS 60 2HB HIS 60 -7.483 -11.318 5.728 499 HB3 HIS 60 3HB HIS 60 -8.509 -9.908 5.961 500 HD1 HIS 60 HD1 HIS 60 -5.741 -11.513 8.064 501 HD2 HIS 60 HD2 HIS 60 -6.935 -7.805 6.603 502 HE1 HIS 60 HE1 HIS 60 -4.024 -9.875 8.891 503 HE2 HIS 60 HE2 HIS 60 -4.861 -7.618 8.152 504 H HIS 61 H HIS 61 -10.467 -12.108 9.133 505 HA HIS 61 HA HIS 61 -10.727 -9.643 10.542 506 HB2 HIS 61 2HB HIS 61 -12.137 -9.467 8.296 507 HB3 HIS 61 3HB HIS 61 -13.288 -10.439 9.205 508 HD1 HIS 61 HD1 HIS 61 -14.177 -9.307 11.499 509 HD2 HIS 61 HD2 HIS 61 -12.155 -6.804 8.861 510 HE1 HIS 61 HE1 HIS 61 -14.796 -6.964 12.174 511 HE2 HIS 61 HE2 HIS 61 -13.663 -5.471 10.484 512 H HIS 62 H HIS 62 -12.522 -12.559 9.614 513 HA HIS 62 HA HIS 62 -12.859 -13.214 12.455 514 HB2 HIS 62 2HB HIS 62 -14.407 -13.917 9.995 515 HB3 HIS 62 3HB HIS 62 -14.386 -15.068 11.327 516 HD1 HIS 62 HD1 HIS 62 -16.000 -11.990 10.177 517 HD2 HIS 62 HD2 HIS 62 -15.466 -13.999 13.780 518 HE1 HIS 62 HE1 HIS 62 -17.695 -11.013 11.762 519 HE2 HIS 62 HE2 HIS 62 -17.310 -12.197 13.956 Start of MODEL 9 1 H1 MET 1 1H MET 1 -8.340 6.112 -7.317 2 H2 MET 1 2H MET 1 -9.778 5.952 -6.434 3 H3 MET 1 3H MET 1 -8.333 5.308 -5.826 4 HA MET 1 HA MET 1 -8.891 8.185 -6.262 5 HB2 MET 1 2HB MET 1 -8.729 6.536 -3.732 6 HB3 MET 1 3HB MET 1 -8.741 8.293 -3.759 7 HG2 MET 1 2HG MET 1 -10.949 8.268 -4.783 8 HG3 MET 1 3HG MET 1 -10.939 6.503 -4.769 9 HE1 MET 1 3HE MET 1 -13.575 7.476 -2.010 10 HE2 MET 1 1HE MET 1 -13.307 6.625 -3.532 11 HE3 MET 1 2HE MET 1 -13.242 8.387 -3.484 12 H ASN 2 H ASN 2 -7.254 9.456 -4.887 13 HA ASN 2 HA ASN 2 -4.647 8.104 -4.747 14 HB2 ASN 2 2HB ASN 2 -5.274 10.765 -5.996 15 HB3 ASN 2 3HB ASN 2 -3.691 10.468 -5.285 16 HD21 ASN 2 1HD2 ASN 2 -4.443 10.977 -8.053 17 HD22 ASN 2 2HD2 ASN 2 -3.859 9.622 -8.963 18 H LEU 3 H LEU 3 -4.700 7.819 -2.587 19 HA LEU 3 HA LEU 3 -5.505 9.937 -0.802 20 HB2 LEU 3 2HB LEU 3 -4.287 7.226 -0.292 21 HB3 LEU 3 3HB LEU 3 -4.736 8.344 0.981 22 HG LEU 3 HG LEU 3 -6.591 7.006 -0.984 23 HD11 LEU 3 1HD1 LEU 3 -5.855 5.565 0.816 24 HD12 LEU 3 2HD1 LEU 3 -7.547 6.006 1.039 25 HD13 LEU 3 3HD1 LEU 3 -6.297 6.787 2.006 26 HD21 LEU 3 3HD2 LEU 3 -7.313 9.304 -0.568 27 HD22 LEU 3 1HD2 LEU 3 -7.240 9.017 1.169 28 HD23 LEU 3 2HD2 LEU 3 -8.409 8.141 0.177 29 H ARG 4 H ARG 4 -3.865 10.088 1.230 30 HA ARG 4 HA ARG 4 -1.581 11.470 0.127 31 HB2 ARG 4 2HB ARG 4 -2.390 11.071 3.010 32 HB3 ARG 4 3HB ARG 4 -1.170 12.196 2.418 33 HG2 ARG 4 2HG ARG 4 -2.836 13.456 1.235 34 HG3 ARG 4 3HG ARG 4 -4.083 12.290 1.679 35 HD2 ARG 4 2HD ARG 4 -3.567 12.820 4.078 36 HD3 ARG 4 3HD ARG 4 -2.560 14.142 3.489 37 HE ARG 4 HE ARG 4 -4.691 14.937 2.354 38 HH11 ARG 4 1HH1 ARG 4 -4.654 13.208 5.409 39 HH12 ARG 4 2HH1 ARG 4 -6.208 13.801 5.907 40 HH21 ARG 4 1HH2 ARG 4 -6.749 15.697 3.005 41 HH22 ARG 4 2HH2 ARG 4 -7.388 15.213 4.549 42 H TRP 5 H TRP 5 0.074 10.342 -0.447 43 HA TRP 5 HA TRP 5 0.802 7.905 1.010 44 HB2 TRP 5 2HB TRP 5 1.567 8.930 -1.730 45 HB3 TRP 5 3HB TRP 5 2.356 7.554 -0.980 46 HD1 TRP 5 HD1 TRP 5 -1.293 8.559 -1.904 47 HE1 TRP 5 HE1 TRP 5 -2.505 6.437 -2.735 48 HE3 TRP 5 HE3 TRP 5 2.475 5.182 -1.221 49 HZ2 TRP 5 HZ2 TRP 5 -1.909 3.698 -3.070 50 HZ3 TRP 5 HZ3 TRP 5 2.074 2.831 -1.821 51 HH2 TRP 5 HH2 TRP 5 -0.075 2.106 -2.723 52 H THR 6 H THR 6 2.543 7.866 2.294 53 HA THR 6 HA THR 6 4.191 10.211 2.530 54 HB THR 6 HB THR 6 5.335 9.057 4.310 55 HG1 THR 6 HG1 THR 6 5.215 6.903 4.624 56 HG21 THR 6 3HG2 THR 6 2.387 8.398 4.374 57 HG22 THR 6 1HG2 THR 6 3.130 9.916 4.884 58 HG23 THR 6 2HG2 THR 6 3.461 8.431 5.776 59 H SER 7 H SER 7 6.581 10.119 2.248 60 HA SER 7 HA SER 7 7.300 9.097 -0.261 61 HB2 SER 7 2HB SER 7 8.443 10.988 0.933 62 HB3 SER 7 3HB SER 7 9.197 9.798 1.990 63 HG SER 7 HG SER 7 10.422 10.536 0.068 64 H GLU 8 H GLU 8 7.673 7.809 2.985 65 HA GLU 8 HA GLU 8 9.249 5.564 2.376 66 HB2 GLU 8 2HB GLU 8 7.074 5.494 4.455 67 HB3 GLU 8 3HB GLU 8 8.633 4.692 4.478 68 HG2 GLU 8 2HG GLU 8 8.870 6.375 6.044 69 HG3 GLU 8 3HG GLU 8 9.622 7.060 4.600 70 H ALA 9 H ALA 9 5.740 6.022 2.464 71 HA ALA 9 HA ALA 9 5.017 3.382 1.801 72 HB1 ALA 9 3HB ALA 9 2.826 4.308 1.278 73 HB2 ALA 9 1HB ALA 9 3.501 5.938 1.296 74 HB3 ALA 9 2HB ALA 9 3.454 4.986 2.780 75 H LYS 10 H LYS 10 5.381 6.284 -0.225 76 HA LYS 10 HA LYS 10 4.780 5.133 -2.691 77 HB2 LYS 10 2HB LYS 10 6.711 7.362 -2.031 78 HB3 LYS 10 3HB LYS 10 6.171 6.967 -3.658 79 HG2 LYS 10 2HG LYS 10 3.895 7.511 -3.086 80 HG3 LYS 10 3HG LYS 10 4.350 7.783 -1.404 81 HD2 LYS 10 2HD LYS 10 4.101 9.896 -2.593 82 HD3 LYS 10 3HD LYS 10 5.773 9.648 -2.089 83 HE2 LYS 10 2HE LYS 10 6.350 8.899 -4.336 84 HE3 LYS 10 3HE LYS 10 4.675 9.111 -4.846 85 HZ1 LYS 10 3HZ LYS 10 6.384 11.306 -3.809 86 HZ2 LYS 10 1HZ LYS 10 4.845 11.451 -4.510 87 HZ3 LYS 10 2HZ LYS 10 6.169 10.973 -5.457 88 H THR 11 H THR 11 7.831 5.220 -0.917 89 HA THR 11 HA THR 11 9.416 4.030 -2.937 90 HB THR 11 HB THR 11 9.842 3.925 0.058 91 HG1 THR 11 HG1 THR 11 9.735 6.074 -0.526 92 HG21 THR 11 3HG2 THR 11 11.247 2.355 -1.191 93 HG22 THR 11 1HG2 THR 11 12.209 3.671 -0.519 94 HG23 THR 11 2HG2 THR 11 11.792 3.667 -2.234 95 H LYS 12 H LYS 12 7.558 2.696 -0.228 96 HA LYS 12 HA LYS 12 8.306 0.002 -0.547 97 HB2 LYS 12 2HB LYS 12 5.770 1.232 0.542 98 HB3 LYS 12 3HB LYS 12 6.132 -0.484 0.626 99 HG2 LYS 12 2HG LYS 12 7.865 1.657 1.831 100 HG3 LYS 12 3HG LYS 12 6.604 0.793 2.709 101 HD2 LYS 12 2HD LYS 12 7.751 -1.334 2.192 102 HD3 LYS 12 3HD LYS 12 9.040 -0.418 1.406 103 HE2 LYS 12 2HE LYS 12 9.525 0.720 3.506 104 HE3 LYS 12 3HE LYS 12 8.213 -0.153 4.297 105 HZ1 LYS 12 3HZ LYS 12 10.401 -1.127 4.739 106 HZ2 LYS 12 1HZ LYS 12 10.610 -1.417 3.084 107 HZ3 LYS 12 2HZ LYS 12 9.378 -2.218 3.933 108 H LEU 13 H LEU 13 5.749 1.937 -2.009 109 HA LEU 13 HA LEU 13 4.383 -0.128 -3.337 110 HB2 LEU 13 2HB LEU 13 3.520 2.172 -2.999 111 HB3 LEU 13 3HB LEU 13 4.684 2.764 -4.169 112 HG LEU 13 HG LEU 13 3.587 1.403 -5.922 113 HD11 LEU 13 1HD1 LEU 13 2.673 -0.352 -4.502 114 HD12 LEU 13 2HD1 LEU 13 1.403 0.402 -5.466 115 HD13 LEU 13 3HD1 LEU 13 1.573 0.809 -3.758 116 HD21 LEU 13 3HD2 LEU 13 2.961 3.749 -5.580 117 HD22 LEU 13 1HD2 LEU 13 1.720 3.247 -4.431 118 HD23 LEU 13 2HD2 LEU 13 1.591 2.784 -6.128 119 H LYS 14 H LYS 14 7.177 1.805 -4.235 120 HA LYS 14 HA LYS 14 7.359 1.000 -6.936 121 HB2 LYS 14 2HB LYS 14 9.491 1.971 -5.024 122 HB3 LYS 14 3HB LYS 14 9.721 1.785 -6.757 123 HG2 LYS 14 2HG LYS 14 8.154 3.502 -7.233 124 HG3 LYS 14 3HG LYS 14 7.618 3.561 -5.552 125 HD2 LYS 14 2HD LYS 14 9.847 4.334 -4.882 126 HD3 LYS 14 3HD LYS 14 10.360 4.302 -6.569 127 HE2 LYS 14 2HE LYS 14 8.071 5.957 -5.522 128 HE3 LYS 14 3HE LYS 14 9.715 6.561 -5.731 129 HZ1 LYS 14 3HZ LYS 14 8.036 5.449 -7.911 130 HZ2 LYS 14 1HZ LYS 14 9.570 6.144 -8.080 131 HZ3 LYS 14 2HZ LYS 14 8.251 7.100 -7.606 132 H ASN 15 H ASN 15 8.274 -0.510 -3.961 133 HA ASN 15 HA ASN 15 10.082 -2.397 -5.191 134 HB2 ASN 15 2HB ASN 15 9.096 -1.938 -2.397 135 HB3 ASN 15 3HB ASN 15 9.890 -3.454 -2.801 136 HD21 ASN 15 1HD2 ASN 15 10.281 0.002 -2.517 137 HD22 ASN 15 2HD2 ASN 15 12.016 0.003 -2.528 138 H ILE 16 H ILE 16 6.769 -2.122 -4.942 139 HA ILE 16 HA ILE 16 6.198 -4.960 -4.936 140 HB ILE 16 HB ILE 16 4.388 -2.616 -5.578 141 HG12 ILE 16 2HG1 ILE 16 4.746 -4.194 -3.017 142 HG13 ILE 16 3HG1 ILE 16 5.275 -2.537 -3.284 143 HG21 ILE 16 1HG2 ILE 16 2.553 -4.196 -5.156 144 HG22 ILE 16 2HG2 ILE 16 3.729 -5.498 -4.973 145 HG23 ILE 16 3HG2 ILE 16 3.547 -4.687 -6.528 146 HD11 ILE 16 3HD1 ILE 16 3.236 -2.594 -1.991 147 HD12 ILE 16 1HD1 ILE 16 2.430 -3.516 -3.260 148 HD13 ILE 16 2HD1 ILE 16 2.940 -1.855 -3.564 149 HA PRO 17 HA PRO 17 7.057 -5.575 -9.262 150 HB2 PRO 17 2HB PRO 17 5.312 -7.705 -9.604 151 HB3 PRO 17 3HB PRO 17 6.973 -7.833 -9.019 152 HG2 PRO 17 2HG PRO 17 4.418 -7.766 -7.473 153 HG3 PRO 17 3HG PRO 17 5.873 -8.744 -7.197 154 HD2 PRO 17 2HD PRO 17 5.356 -6.579 -5.709 155 HD3 PRO 17 3HD PRO 17 7.016 -6.981 -6.198 156 H PHE 18 H PHE 18 6.138 -5.146 -11.234 157 HA PHE 18 HA PHE 18 4.064 -3.298 -11.346 158 HB2 PHE 18 2HB PHE 18 5.679 -3.387 -13.109 159 HB3 PHE 18 3HB PHE 18 5.275 -5.057 -13.482 160 HD1 PHE 18 HD1 PHE 18 3.922 -1.601 -13.551 161 HD2 PHE 18 HD2 PHE 18 3.665 -5.566 -15.076 162 HE1 PHE 18 HE1 PHE 18 2.331 -0.833 -15.266 163 HE2 PHE 18 HE2 PHE 18 2.074 -4.810 -16.792 164 HZ PHE 18 HZ PHE 18 1.406 -2.439 -16.892 165 H PHE 19 H PHE 19 3.965 -6.776 -11.644 166 HA PHE 19 HA PHE 19 1.434 -7.030 -12.846 167 HB2 PHE 19 2HB PHE 19 2.939 -8.952 -11.062 168 HB3 PHE 19 3HB PHE 19 1.504 -9.365 -11.995 169 HD1 PHE 19 HD1 PHE 19 5.066 -8.535 -12.165 170 HD2 PHE 19 HD2 PHE 19 1.606 -9.647 -14.378 171 HE1 PHE 19 HE1 PHE 19 6.482 -9.062 -14.106 172 HE2 PHE 19 HE2 PHE 19 3.016 -10.176 -16.325 173 HZ PHE 19 HZ PHE 19 5.456 -9.883 -16.188 174 H ALA 20 H ALA 20 2.327 -6.198 -9.639 175 HA ALA 20 HA ALA 20 -0.473 -6.544 -8.786 176 HB1 ALA 20 3HB ALA 20 0.946 -8.151 -7.626 177 HB2 ALA 20 1HB ALA 20 0.325 -6.941 -6.506 178 HB3 ALA 20 2HB ALA 20 1.992 -6.845 -7.072 179 H ARG 21 H ARG 21 1.475 -4.292 -9.819 180 HA ARG 21 HA ARG 21 1.831 -2.421 -7.772 181 HB2 ARG 21 2HB ARG 21 2.062 -2.470 -10.670 182 HB3 ARG 21 3HB ARG 21 1.529 -0.907 -10.071 183 HG2 ARG 21 2HG ARG 21 4.004 -2.382 -9.194 184 HG3 ARG 21 3HG ARG 21 3.950 -1.004 -10.294 185 HD2 ARG 21 2HD ARG 21 3.465 -1.103 -7.345 186 HD3 ARG 21 3HD ARG 21 4.501 -0.018 -8.271 187 HE ARG 21 HE ARG 21 1.665 0.272 -7.766 188 HH11 ARG 21 1HH1 ARG 21 4.403 1.323 -9.699 189 HH12 ARG 21 2HH1 ARG 21 3.672 2.839 -10.116 190 HH21 ARG 21 1HH2 ARG 21 0.718 2.264 -8.335 191 HH22 ARG 21 2HH2 ARG 21 1.575 3.376 -9.363 192 H SER 22 H SER 22 -0.825 -2.714 -10.128 193 HA SER 22 HA SER 22 -2.196 -0.428 -9.033 194 HB2 SER 22 2HB SER 22 -2.419 -1.034 -11.418 195 HB3 SER 22 3HB SER 22 -3.179 -2.557 -10.962 196 HG SER 22 HG SER 22 -4.173 0.078 -10.541 197 H GLN 23 H GLN 23 -2.487 -3.929 -8.842 198 HA GLN 23 HA GLN 23 -4.876 -4.109 -7.401 199 HB2 GLN 23 2HB GLN 23 -3.848 -6.036 -8.465 200 HB3 GLN 23 3HB GLN 23 -2.457 -5.919 -7.399 201 HG2 GLN 23 2HG GLN 23 -3.902 -6.423 -5.481 202 HG3 GLN 23 3HG GLN 23 -5.275 -6.585 -6.576 203 HE21 GLN 23 1HE2 GLN 23 -2.271 -7.977 -5.513 204 HE22 GLN 23 2HE2 GLN 23 -2.504 -9.530 -6.227 205 H ALA 24 H ALA 24 -1.518 -3.865 -6.284 206 HA ALA 24 HA ALA 24 -2.141 -4.066 -3.532 207 HB1 ALA 24 3HB ALA 24 0.094 -4.546 -4.385 208 HB2 ALA 24 1HB ALA 24 0.141 -3.303 -3.135 209 HB3 ALA 24 2HB ALA 24 0.290 -2.850 -4.831 210 H LYS 25 H LYS 25 -1.556 -1.265 -5.655 211 HA LYS 25 HA LYS 25 -1.695 0.715 -3.707 212 HB2 LYS 25 2HB LYS 25 -0.994 1.192 -5.989 213 HB3 LYS 25 3HB LYS 25 -2.610 0.832 -6.584 214 HG2 LYS 25 2HG LYS 25 -3.514 2.726 -5.405 215 HG3 LYS 25 3HG LYS 25 -1.944 3.055 -4.676 216 HD2 LYS 25 2HD LYS 25 -1.001 3.507 -6.879 217 HD3 LYS 25 3HD LYS 25 -2.557 3.142 -7.626 218 HE2 LYS 25 2HE LYS 25 -2.086 5.345 -5.622 219 HE3 LYS 25 3HE LYS 25 -2.116 5.573 -7.368 220 HZ1 LYS 25 3HZ LYS 25 -4.359 4.759 -5.597 221 HZ2 LYS 25 1HZ LYS 25 -4.425 4.607 -7.289 222 HZ3 LYS 25 2HZ LYS 25 -4.249 6.134 -6.583 223 H ALA 26 H ALA 26 -4.299 -0.711 -5.644 224 HA ALA 26 HA ALA 26 -6.439 0.742 -4.591 225 HB1 ALA 26 3HB ALA 26 -7.844 -1.108 -5.356 226 HB2 ALA 26 1HB ALA 26 -6.409 -2.116 -5.557 227 HB3 ALA 26 2HB ALA 26 -6.630 -0.683 -6.563 228 H ARG 27 H ARG 27 -4.916 -2.242 -3.497 229 HA ARG 27 HA ARG 27 -6.682 -2.815 -1.373 230 HB2 ARG 27 2HB ARG 27 -5.063 -4.411 -2.397 231 HB3 ARG 27 3HB ARG 27 -3.754 -3.525 -1.630 232 HG2 ARG 27 2HG ARG 27 -4.233 -5.496 -0.359 233 HG3 ARG 27 3HG ARG 27 -4.716 -4.077 0.572 234 HD2 ARG 27 2HD ARG 27 -6.979 -4.490 0.268 235 HD3 ARG 27 3HD ARG 27 -6.703 -5.507 -1.147 236 HE ARG 27 HE ARG 27 -5.498 -6.738 1.056 237 HH11 ARG 27 1HH1 ARG 27 -8.733 -5.891 -0.015 238 HH12 ARG 27 2HH1 ARG 27 -9.466 -7.290 0.712 239 HH21 ARG 27 1HH2 ARG 27 -6.457 -8.564 1.990 240 HH22 ARG 27 2HH2 ARG 27 -8.178 -8.807 1.846 241 H ILE 28 H ILE 28 -3.520 -1.198 -1.435 242 HA ILE 28 HA ILE 28 -3.207 -0.758 1.296 243 HB ILE 28 HB ILE 28 -2.238 0.967 -0.991 244 HG12 ILE 28 2HG1 ILE 28 -0.686 -1.148 0.492 245 HG13 ILE 28 3HG1 ILE 28 -1.625 -1.519 -0.951 246 HG21 ILE 28 1HG2 ILE 28 -0.497 1.718 0.562 247 HG22 ILE 28 2HG2 ILE 28 -1.252 0.783 1.853 248 HG23 ILE 28 3HG2 ILE 28 -2.110 2.145 1.136 249 HD11 ILE 28 3HD1 ILE 28 0.649 0.439 -0.773 250 HD12 ILE 28 1HD1 ILE 28 -0.291 0.085 -2.222 251 HD13 ILE 28 2HD1 ILE 28 0.711 -1.170 -1.492 252 H GLU 29 H GLU 29 -4.563 1.451 -1.159 253 HA GLU 29 HA GLU 29 -5.048 3.541 0.672 254 HB2 GLU 29 2HB GLU 29 -6.311 3.017 -2.023 255 HB3 GLU 29 3HB GLU 29 -6.412 4.533 -1.133 256 HG2 GLU 29 2HG GLU 29 -3.948 4.705 -1.224 257 HG3 GLU 29 3HG GLU 29 -3.913 3.246 -2.209 258 H GLN 30 H GLN 30 -7.004 0.791 -0.355 259 HA GLN 30 HA GLN 30 -9.345 1.684 1.018 260 HB2 GLN 30 2HB GLN 30 -8.504 -1.032 0.016 261 HB3 GLN 30 3HB GLN 30 -10.036 -0.749 0.835 262 HG2 GLN 30 2HG GLN 30 -10.668 0.850 -0.890 263 HG3 GLN 30 3HG GLN 30 -9.133 0.579 -1.711 264 HE21 GLN 30 1HE2 GLN 30 -8.777 -1.379 -2.766 265 HE22 GLN 30 2HE2 GLN 30 -10.078 -2.453 -3.177 266 H LEU 31 H LEU 31 -6.559 -0.292 1.890 267 HA LEU 31 HA LEU 31 -7.437 -1.119 4.431 268 HB2 LEU 31 2HB LEU 31 -4.640 -0.493 3.471 269 HB3 LEU 31 3HB LEU 31 -5.011 -1.296 4.982 270 HG LEU 31 HG LEU 31 -5.664 -2.377 2.240 271 HD11 LEU 31 1HD1 LEU 31 -3.879 -3.966 2.635 272 HD12 LEU 31 2HD1 LEU 31 -3.531 -3.218 4.193 273 HD13 LEU 31 3HD1 LEU 31 -3.253 -2.318 2.702 274 HD21 LEU 31 3HD2 LEU 31 -7.234 -3.124 3.965 275 HD22 LEU 31 1HD2 LEU 31 -5.880 -3.657 4.962 276 HD23 LEU 31 2HD2 LEU 31 -6.199 -4.444 3.417 277 H ALA 32 H ALA 32 -6.064 1.890 3.281 278 HA ALA 32 HA ALA 32 -5.643 3.084 5.821 279 HB1 ALA 32 3HB ALA 32 -4.594 3.931 3.781 280 HB2 ALA 32 1HB ALA 32 -5.512 5.192 4.605 281 HB3 ALA 32 2HB ALA 32 -6.175 4.414 3.165 282 H ARG 33 H ARG 33 -8.376 3.053 3.572 283 HA ARG 33 HA ARG 33 -10.029 4.799 5.045 284 HB2 ARG 33 2HB ARG 33 -10.946 2.523 3.282 285 HB3 ARG 33 3HB ARG 33 -11.868 3.949 3.732 286 HG2 ARG 33 2HG ARG 33 -10.028 5.284 2.561 287 HG3 ARG 33 3HG ARG 33 -9.547 3.739 1.855 288 HD2 ARG 33 2HD ARG 33 -11.000 4.669 0.277 289 HD3 ARG 33 3HD ARG 33 -11.996 3.510 1.156 290 HE ARG 33 HE ARG 33 -12.068 6.437 1.506 291 HH11 ARG 33 1HH1 ARG 33 -13.564 3.287 1.866 292 HH12 ARG 33 2HH1 ARG 33 -15.104 3.933 2.351 293 HH21 ARG 33 1HH2 ARG 33 -14.090 7.287 2.130 294 HH22 ARG 33 2HH2 ARG 33 -15.394 6.210 2.535 295 H GLN 34 H GLN 34 -9.519 1.309 5.182 296 HA GLN 34 HA GLN 34 -11.464 0.767 7.172 297 HB2 GLN 34 2HB GLN 34 -8.866 -0.694 6.654 298 HB3 GLN 34 3HB GLN 34 -10.230 -1.310 7.572 299 HG2 GLN 34 2HG GLN 34 -11.600 -1.236 5.524 300 HG3 GLN 34 3HG GLN 34 -10.178 -0.705 4.624 301 HE21 GLN 34 1HE2 GLN 34 -8.457 -2.426 6.336 302 HE22 GLN 34 2HE2 GLN 34 -8.676 -4.029 5.723 303 H ALA 35 H ALA 35 -8.279 2.108 7.251 304 HA ALA 35 HA ALA 35 -8.046 1.831 10.140 305 HB1 ALA 35 3HB ALA 35 -6.069 1.444 8.758 306 HB2 ALA 35 1HB ALA 35 -5.826 2.797 9.865 307 HB3 ALA 35 2HB ALA 35 -6.159 3.099 8.158 308 H GLU 36 H GLU 36 -9.546 3.903 8.054 309 HA GLU 36 HA GLU 36 -10.774 5.773 8.466 310 HB2 GLU 36 2HB GLU 36 -9.630 5.474 11.240 311 HB3 GLU 36 3HB GLU 36 -10.772 6.736 10.796 312 HG2 GLU 36 2HG GLU 36 -11.330 3.804 10.459 313 HG3 GLU 36 3HG GLU 36 -11.752 4.715 11.910 314 H GLN 37 H GLN 37 -7.921 5.767 7.595 315 HA GLN 37 HA GLN 37 -7.349 8.592 8.189 316 HB2 GLN 37 2HB GLN 37 -4.921 8.031 8.052 317 HB3 GLN 37 3HB GLN 37 -5.739 7.292 9.422 318 HG2 GLN 37 2HG GLN 37 -5.929 5.202 8.060 319 HG3 GLN 37 3HG GLN 37 -4.898 5.971 6.855 320 HE21 GLN 37 1HE2 GLN 37 -3.265 4.473 7.098 321 HE22 GLN 37 2HE2 GLN 37 -2.263 4.399 8.503 322 H ASP 38 H ASP 38 -6.337 9.790 6.497 323 HA ASP 38 HA ASP 38 -6.895 8.641 3.848 324 HB2 ASP 38 2HB ASP 38 -6.472 11.506 4.716 325 HB3 ASP 38 3HB ASP 38 -6.692 11.005 3.042 326 H ILE 39 H ILE 39 -4.428 8.823 5.887 327 HA ILE 39 HA ILE 39 -2.396 9.225 3.798 328 HB ILE 39 HB ILE 39 -2.024 9.165 6.804 329 HG12 ILE 39 2HG1 ILE 39 -1.957 11.539 4.928 330 HG13 ILE 39 3HG1 ILE 39 -3.297 11.148 6.001 331 HG21 ILE 39 1HG2 ILE 39 0.228 10.015 6.313 332 HG22 ILE 39 2HG2 ILE 39 -0.099 9.875 4.587 333 HG23 ILE 39 3HG2 ILE 39 -0.042 8.428 5.595 334 HD11 ILE 39 3HD1 ILE 39 -1.903 12.888 6.938 335 HD12 ILE 39 1HD1 ILE 39 -0.495 11.831 6.850 336 HD13 ILE 39 2HD1 ILE 39 -1.833 11.431 7.927 337 H VAL 40 H VAL 40 -1.245 7.490 3.132 338 HA VAL 40 HA VAL 40 -1.718 4.975 4.558 339 HB VAL 40 HB VAL 40 -0.909 3.803 2.619 340 HG11 VAL 40 1HG1 VAL 40 -3.241 4.476 2.574 341 HG12 VAL 40 2HG1 VAL 40 -2.561 4.479 0.946 342 HG13 VAL 40 3HG1 VAL 40 -2.803 6.001 1.805 343 HG21 VAL 40 3HG2 VAL 40 -0.223 4.993 0.571 344 HG22 VAL 40 1HG2 VAL 40 0.882 5.254 1.922 345 HG23 VAL 40 2HG2 VAL 40 -0.272 6.512 1.468 346 H THR 41 H THR 41 -0.173 3.983 5.659 347 HA THR 41 HA THR 41 2.436 5.264 5.835 348 HB THR 41 HB THR 41 2.751 3.679 7.776 349 HG1 THR 41 HG1 THR 41 0.658 2.769 8.532 350 HG21 THR 41 3HG2 THR 41 1.199 4.874 9.272 351 HG22 THR 41 1HG2 THR 41 0.336 5.492 7.864 352 HG23 THR 41 2HG2 THR 41 2.010 5.969 8.150 353 HA PRO 42 HA PRO 42 4.640 2.121 3.582 354 HB2 PRO 42 2HB PRO 42 6.655 1.506 5.396 355 HB3 PRO 42 3HB PRO 42 6.703 2.840 4.240 356 HG2 PRO 42 2HG PRO 42 5.990 2.870 7.140 357 HG3 PRO 42 3HG PRO 42 6.914 4.056 6.198 358 HD2 PRO 42 2HD PRO 42 4.362 4.497 6.878 359 HD3 PRO 42 3HD PRO 42 5.003 5.018 5.303 360 H GLU 43 H GLU 43 3.694 1.625 6.888 361 HA GLU 43 HA GLU 43 3.946 -1.132 7.164 362 HB2 GLU 43 2HB GLU 43 3.369 0.361 9.017 363 HB3 GLU 43 3HB GLU 43 1.829 0.737 8.257 364 HG2 GLU 43 2HG GLU 43 1.232 -1.678 8.467 365 HG3 GLU 43 3HG GLU 43 2.703 -1.897 9.414 366 H LEU 44 H LEU 44 1.131 0.764 6.077 367 HA LEU 44 HA LEU 44 -0.510 -1.440 5.493 368 HB2 LEU 44 2HB LEU 44 -0.526 1.452 4.799 369 HB3 LEU 44 3HB LEU 44 -1.562 0.387 3.870 370 HG LEU 44 HG LEU 44 -2.740 -0.292 5.887 371 HD11 LEU 44 1HD1 LEU 44 -0.876 1.576 7.341 372 HD12 LEU 44 2HD1 LEU 44 -0.932 -0.180 7.503 373 HD13 LEU 44 3HD1 LEU 44 -2.299 0.801 8.036 374 HD21 LEU 44 3HD2 LEU 44 -3.518 1.677 4.690 375 HD22 LEU 44 1HD2 LEU 44 -2.461 2.698 5.663 376 HD23 LEU 44 2HD2 LEU 44 -3.801 1.840 6.423 377 H VAL 45 H VAL 45 1.670 0.452 3.455 378 HA VAL 45 HA VAL 45 1.034 -0.741 0.999 379 HB VAL 45 HB VAL 45 3.714 0.372 1.843 380 HG11 VAL 45 1HG1 VAL 45 3.846 -0.974 -0.189 381 HG12 VAL 45 2HG1 VAL 45 4.065 0.734 -0.560 382 HG13 VAL 45 3HG1 VAL 45 2.523 -0.051 -0.900 383 HG21 VAL 45 3HG2 VAL 45 1.917 1.989 2.174 384 HG22 VAL 45 1HG2 VAL 45 1.369 1.733 0.518 385 HG23 VAL 45 2HG2 VAL 45 2.946 2.463 0.822 386 H GLU 46 H GLU 46 3.544 -1.560 3.382 387 HA GLU 46 HA GLU 46 4.486 -3.773 1.848 388 HB2 GLU 46 2HB GLU 46 5.856 -2.485 3.525 389 HB3 GLU 46 3HB GLU 46 4.935 -3.281 4.795 390 HG2 GLU 46 2HG GLU 46 5.859 -5.358 4.337 391 HG3 GLU 46 3HG GLU 46 6.363 -4.885 2.715 392 H GLN 47 H GLN 47 2.149 -3.351 4.444 393 HA GLN 47 HA GLN 47 1.709 -6.031 5.111 394 HB2 GLN 47 2HB GLN 47 0.757 -3.899 6.195 395 HB3 GLN 47 3HB GLN 47 -0.478 -3.957 4.955 396 HG2 GLN 47 2HG GLN 47 0.047 -6.200 6.890 397 HG3 GLN 47 3HG GLN 47 -1.120 -4.915 7.173 398 HE21 GLN 47 1HE2 GLN 47 -1.836 -4.864 4.295 399 HE22 GLN 47 2HE2 GLN 47 -2.843 -6.248 4.038 400 H ALA 48 H ALA 48 0.142 -4.012 2.623 401 HA ALA 48 HA ALA 48 -1.531 -6.009 1.568 402 HB1 ALA 48 3HB ALA 48 -1.782 -3.613 1.072 403 HB2 ALA 48 1HB ALA 48 -1.733 -4.596 -0.393 404 HB3 ALA 48 2HB ALA 48 -0.312 -3.674 0.099 405 H ARG 49 H ARG 49 1.815 -5.248 1.088 406 HA ARG 49 HA ARG 49 2.232 -6.893 -1.226 407 HB2 ARG 49 2HB ARG 49 3.582 -4.909 -0.674 408 HB3 ARG 49 3HB ARG 49 4.141 -5.700 0.786 409 HG2 ARG 49 2HG ARG 49 5.272 -7.392 -0.578 410 HG3 ARG 49 3HG ARG 49 4.728 -6.551 -2.038 411 HD2 ARG 49 2HD ARG 49 5.916 -4.566 -1.409 412 HD3 ARG 49 3HD ARG 49 6.330 -5.261 0.150 413 HE ARG 49 HE ARG 49 7.338 -6.608 -2.237 414 HH11 ARG 49 1HH1 ARG 49 7.924 -4.566 0.537 415 HH12 ARG 49 2HH1 ARG 49 9.652 -4.662 0.437 416 HH21 ARG 49 1HH2 ARG 49 9.635 -6.699 -2.440 417 HH22 ARG 49 2HH2 ARG 49 10.628 -5.872 -1.279 418 H LEU 50 H LEU 50 2.144 -7.262 2.173 419 HA LEU 50 HA LEU 50 3.663 -9.693 2.328 420 HB2 LEU 50 2HB LEU 50 2.996 -7.731 4.103 421 HB3 LEU 50 3HB LEU 50 1.842 -8.976 4.533 422 HG LEU 50 HG LEU 50 3.936 -9.022 5.881 423 HD11 LEU 50 1HD1 LEU 50 2.563 -11.014 5.690 424 HD12 LEU 50 2HD1 LEU 50 4.272 -11.446 5.724 425 HD13 LEU 50 3HD1 LEU 50 3.389 -11.463 4.196 426 HD21 LEU 50 3HD2 LEU 50 5.193 -9.898 3.281 427 HD22 LEU 50 1HD2 LEU 50 5.974 -9.876 4.863 428 HD23 LEU 50 2HD2 LEU 50 5.484 -8.364 4.100 429 H GLU 51 H GLU 51 0.229 -8.797 2.637 430 HA GLU 51 HA GLU 51 -0.659 -11.441 3.058 431 HB2 GLU 51 2HB GLU 51 -2.910 -10.583 2.586 432 HB3 GLU 51 3HB GLU 51 -2.036 -9.549 3.701 433 HG2 GLU 51 2HG GLU 51 -1.585 -7.970 1.917 434 HG3 GLU 51 3HG GLU 51 -2.411 -9.020 0.763 435 H PHE 52 H PHE 52 -0.172 -9.536 0.114 436 HA PHE 52 HA PHE 52 -1.262 -11.506 -1.634 437 HB2 PHE 52 2HB PHE 52 0.724 -9.287 -2.148 438 HB3 PHE 52 3HB PHE 52 0.059 -10.317 -3.409 439 HD1 PHE 52 HD2 PHE 52 -2.723 -10.347 -1.800 440 HD2 PHE 52 HD1 PHE 52 -0.150 -7.346 -3.375 441 HE1 PHE 52 HE2 PHE 52 -4.643 -8.828 -2.023 442 HE2 PHE 52 HE1 PHE 52 -2.067 -5.824 -3.602 443 HZ PHE 52 HZ PHE 52 -4.317 -6.562 -2.926 444 H GLY 53 H GLY 53 1.907 -10.926 -0.240 445 HA2 GLY 53 2HA GLY 53 3.337 -12.921 -1.628 446 HA3 GLY 53 3HA GLY 53 3.740 -12.291 -0.034 447 H GLN 54 H GLN 54 1.407 -13.020 1.335 448 HA GLN 54 HA GLN 54 1.970 -15.727 1.966 449 HB2 GLN 54 2HB GLN 54 -0.364 -13.978 2.767 450 HB3 GLN 54 3HB GLN 54 -0.016 -15.556 3.459 451 HG2 GLN 54 2HG GLN 54 2.145 -14.715 4.257 452 HG3 GLN 54 3HG GLN 54 1.756 -13.131 3.595 453 HE21 GLN 54 1HE2 GLN 54 -1.069 -13.359 4.365 454 HE22 GLN 54 2HE2 GLN 54 -1.105 -13.111 6.075 455 H LEU 55 H LEU 55 -0.442 -14.173 -0.053 456 HA LEU 55 HA LEU 55 -2.050 -16.472 -0.479 457 HB2 LEU 55 2HB LEU 55 -1.644 -14.012 -2.183 458 HB3 LEU 55 3HB LEU 55 -2.854 -15.240 -2.498 459 HG LEU 55 HG LEU 55 -2.725 -13.478 -0.050 460 HD11 LEU 55 1HD1 LEU 55 -3.420 -12.282 -2.054 461 HD12 LEU 55 2HD1 LEU 55 -4.772 -12.493 -0.941 462 HD13 LEU 55 3HD1 LEU 55 -4.642 -13.511 -2.376 463 HD21 LEU 55 3HD2 LEU 55 -4.883 -14.474 0.525 464 HD22 LEU 55 1HD2 LEU 55 -3.607 -15.690 0.476 465 HD23 LEU 55 2HD2 LEU 55 -4.753 -15.560 -0.857 466 H GLU 56 H GLU 56 0.797 -15.163 -2.034 467 HA GLU 56 HA GLU 56 2.304 -16.010 -3.486 468 HB2 GLU 56 2HB GLU 56 2.229 -17.893 -1.813 469 HB3 GLU 56 3HB GLU 56 1.084 -18.707 -2.865 470 HG2 GLU 56 2HG GLU 56 3.626 -17.864 -4.103 471 HG3 GLU 56 3HG GLU 56 3.723 -19.149 -2.902 472 H HIS 57 H HIS 57 1.250 -14.886 -5.152 473 HA HIS 57 HA HIS 57 0.370 -14.627 -7.225 474 HB2 HIS 57 2HB HIS 57 0.441 -17.649 -7.323 475 HB3 HIS 57 3HB HIS 57 0.109 -16.601 -8.697 476 HD1 HIS 57 HD1 HIS 57 2.844 -18.105 -6.765 477 HD2 HIS 57 HD2 HIS 57 2.396 -15.011 -9.517 478 HE1 HIS 57 HE1 HIS 57 5.163 -17.565 -7.569 479 HE2 HIS 57 HE2 HIS 57 4.888 -15.623 -9.144 480 H HIS 58 H HIS 58 -1.667 -15.466 -8.630 481 HA HIS 58 HA HIS 58 -3.832 -16.403 -6.994 482 HB2 HIS 58 2HB HIS 58 -5.241 -14.387 -7.166 483 HB3 HIS 58 3HB HIS 58 -3.800 -14.108 -6.201 484 HD1 HIS 58 HD1 HIS 58 -5.768 -12.560 -8.728 485 HD2 HIS 58 HD2 HIS 58 -1.688 -12.784 -7.935 486 HE1 HIS 58 HE1 HIS 58 -4.721 -10.651 -9.986 487 HE2 HIS 58 HE2 HIS 58 -2.269 -10.731 -9.396 488 H HIS 59 H HIS 59 -3.821 -17.942 -8.684 489 HA HIS 59 HA HIS 59 -5.840 -17.337 -10.593 490 HB2 HIS 59 2HB HIS 59 -3.601 -16.536 -11.652 491 HB3 HIS 59 3HB HIS 59 -3.278 -18.255 -11.868 492 HD1 HIS 59 HD1 HIS 59 -4.856 -15.441 -13.487 493 HD2 HIS 59 HD2 HIS 59 -5.449 -19.560 -13.438 494 HE1 HIS 59 HE1 HIS 59 -6.282 -15.949 -15.495 495 HE2 HIS 59 HE2 HIS 59 -6.778 -18.417 -15.341 496 H HIS 60 H HIS 60 -3.431 -19.552 -9.325 497 HA HIS 60 HA HIS 60 -4.606 -21.900 -10.395 498 HB2 HIS 60 2HB HIS 60 -3.288 -23.105 -8.620 499 HB3 HIS 60 3HB HIS 60 -2.351 -22.095 -9.708 500 HD1 HIS 60 HD1 HIS 60 -0.907 -20.332 -8.681 501 HD2 HIS 60 HD2 HIS 60 -3.556 -22.012 -5.953 502 HE1 HIS 60 HE1 HIS 60 -0.212 -19.452 -6.430 503 HE2 HIS 60 HE2 HIS 60 -1.631 -20.730 -4.791 504 H HIS 61 H HIS 61 -5.666 -19.829 -7.966 505 HA HIS 61 HA HIS 61 -7.625 -19.798 -6.821 506 HB2 HIS 61 2HB HIS 61 -8.571 -20.900 -8.812 507 HB3 HIS 61 3HB HIS 61 -8.143 -22.470 -8.151 508 HD1 HIS 61 HD1 HIS 61 -9.843 -23.579 -6.679 509 HD2 HIS 61 HD2 HIS 61 -10.650 -19.543 -7.299 510 HE1 HIS 61 HE1 HIS 61 -12.104 -23.173 -5.666 511 HE2 HIS 61 HE2 HIS 61 -12.526 -20.706 -5.948 512 H HIS 62 H HIS 62 -8.539 -20.512 -4.867 513 HA HIS 62 HA HIS 62 -7.592 -23.048 -3.780 514 HB2 HIS 62 2HB HIS 62 -7.090 -22.129 -1.597 515 HB3 HIS 62 3HB HIS 62 -6.123 -21.295 -2.802 516 HD1 HIS 62 HD1 HIS 62 -9.142 -20.765 -0.586 517 HD2 HIS 62 HD2 HIS 62 -6.440 -18.559 -2.854 518 HE1 HIS 62 HE1 HIS 62 -9.550 -18.361 0.024 519 HE2 HIS 62 HE2 HIS 62 -7.747 -17.078 -1.171 Start of MODEL 10 1 H1 MET 1 1H MET 1 -9.760 9.475 -4.985 2 H2 MET 1 2H MET 1 -11.068 8.612 -5.637 3 H3 MET 1 3H MET 1 -9.520 8.448 -6.314 4 HA MET 1 HA MET 1 -10.320 7.622 -3.586 5 HB2 MET 1 2HB MET 1 -10.074 5.332 -4.363 6 HB3 MET 1 3HB MET 1 -11.255 6.171 -5.359 7 HG2 MET 1 2HG MET 1 -9.611 6.455 -7.114 8 HG3 MET 1 3HG MET 1 -8.380 5.696 -6.109 9 HE1 MET 1 3HE MET 1 -9.879 3.304 -4.747 10 HE2 MET 1 1HE MET 1 -8.296 3.152 -5.512 11 HE3 MET 1 2HE MET 1 -9.577 2.006 -5.900 12 H ASN 2 H ASN 2 -7.871 8.910 -5.394 13 HA ASN 2 HA ASN 2 -5.713 7.267 -4.390 14 HB2 ASN 2 2HB ASN 2 -5.604 8.421 -6.603 15 HB3 ASN 2 3HB ASN 2 -5.583 9.966 -5.758 16 HD21 ASN 2 1HD2 ASN 2 -3.727 10.612 -4.691 17 HD22 ASN 2 2HD2 ASN 2 -2.212 9.812 -4.904 18 H LEU 3 H LEU 3 -5.002 7.415 -2.396 19 HA LEU 3 HA LEU 3 -5.759 9.709 -0.768 20 HB2 LEU 3 2HB LEU 3 -4.456 7.087 -0.053 21 HB3 LEU 3 3HB LEU 3 -4.926 8.320 1.104 22 HG LEU 3 HG LEU 3 -6.804 6.771 -0.687 23 HD11 LEU 3 1HD1 LEU 3 -7.603 5.777 1.381 24 HD12 LEU 3 2HD1 LEU 3 -6.397 6.682 2.295 25 HD13 LEU 3 3HD1 LEU 3 -5.887 5.442 1.148 26 HD21 LEU 3 3HD2 LEU 3 -7.371 8.852 1.419 27 HD22 LEU 3 1HD2 LEU 3 -8.582 7.873 0.590 28 HD23 LEU 3 2HD2 LEU 3 -7.612 9.032 -0.320 29 H ARG 4 H ARG 4 -3.971 10.187 1.038 30 HA ARG 4 HA ARG 4 -1.709 11.208 -0.450 31 HB2 ARG 4 2HB ARG 4 -2.615 11.490 2.397 32 HB3 ARG 4 3HB ARG 4 -1.032 12.054 1.881 33 HG2 ARG 4 2HG ARG 4 -1.998 13.601 0.345 34 HG3 ARG 4 3HG ARG 4 -3.610 12.931 0.605 35 HD2 ARG 4 2HD ARG 4 -1.929 14.293 2.702 36 HD3 ARG 4 3HD ARG 4 -3.259 15.043 1.817 37 HE ARG 4 HE ARG 4 -4.211 12.690 2.983 38 HH11 ARG 4 1HH1 ARG 4 -3.108 15.877 3.930 39 HH12 ARG 4 2HH1 ARG 4 -4.020 15.893 5.408 40 HH21 ARG 4 1HH2 ARG 4 -5.385 12.699 4.922 41 HH22 ARG 4 2HH2 ARG 4 -5.318 14.079 5.977 42 H TRP 5 H TRP 5 0.035 10.115 -0.815 43 HA TRP 5 HA TRP 5 0.715 7.842 0.891 44 HB2 TRP 5 2HB TRP 5 1.576 8.632 -1.890 45 HB3 TRP 5 3HB TRP 5 2.327 7.314 -0.999 46 HD1 TRP 5 HD1 TRP 5 -1.254 8.289 -2.177 47 HE1 TRP 5 HE1 TRP 5 -2.492 6.119 -2.807 48 HE3 TRP 5 HE3 TRP 5 2.388 4.922 -0.954 49 HZ2 TRP 5 HZ2 TRP 5 -1.963 3.342 -2.802 50 HZ3 TRP 5 HZ3 TRP 5 1.943 2.525 -1.296 51 HH2 TRP 5 HH2 TRP 5 -0.191 1.755 -2.199 52 H THR 6 H THR 6 2.358 7.943 2.273 53 HA THR 6 HA THR 6 3.944 10.277 2.567 54 HB THR 6 HB THR 6 5.289 8.831 4.160 55 HG1 THR 6 HG1 THR 6 3.238 6.914 4.001 56 HG21 THR 6 3HG2 THR 6 3.498 8.687 5.831 57 HG22 THR 6 1HG2 THR 6 2.298 8.923 4.559 58 HG23 THR 6 2HG2 THR 6 3.438 10.211 4.947 59 H SER 7 H SER 7 6.306 10.374 2.370 60 HA SER 7 HA SER 7 7.195 9.694 -0.175 61 HB2 SER 7 2HB SER 7 9.033 10.165 2.174 62 HB3 SER 7 3HB SER 7 9.290 10.585 0.479 63 HG SER 7 HG SER 7 7.949 12.271 0.659 64 H GLU 8 H GLU 8 7.610 8.023 2.896 65 HA GLU 8 HA GLU 8 9.370 6.018 1.936 66 HB2 GLU 8 2HB GLU 8 7.487 5.978 4.304 67 HB3 GLU 8 3HB GLU 8 8.766 4.809 4.006 68 HG2 GLU 8 2HG GLU 8 10.440 6.559 4.215 69 HG3 GLU 8 3HG GLU 8 9.172 7.755 4.474 70 H ALA 9 H ALA 9 5.848 6.221 2.276 71 HA ALA 9 HA ALA 9 5.263 3.557 1.597 72 HB1 ALA 9 3HB ALA 9 3.637 5.060 2.641 73 HB2 ALA 9 1HB ALA 9 3.002 4.334 1.166 74 HB3 ALA 9 2HB ALA 9 3.562 6.005 1.154 75 H LYS 10 H LYS 10 5.629 6.465 -0.367 76 HA LYS 10 HA LYS 10 4.908 5.387 -2.840 77 HB2 LYS 10 2HB LYS 10 6.907 7.556 -2.173 78 HB3 LYS 10 3HB LYS 10 6.349 7.197 -3.802 79 HG2 LYS 10 2HG LYS 10 4.084 7.780 -3.190 80 HG3 LYS 10 3HG LYS 10 4.577 8.049 -1.518 81 HD2 LYS 10 2HD LYS 10 6.040 9.878 -2.249 82 HD3 LYS 10 3HD LYS 10 5.538 9.607 -3.920 83 HE2 LYS 10 2HE LYS 10 3.708 10.373 -1.649 84 HE3 LYS 10 3HE LYS 10 4.344 11.486 -2.859 85 HZ1 LYS 10 3HZ LYS 10 2.706 9.111 -3.563 86 HZ2 LYS 10 1HZ LYS 10 3.113 10.421 -4.555 87 HZ3 LYS 10 2HZ LYS 10 2.031 10.638 -3.268 88 H THR 11 H THR 11 8.092 5.524 -1.255 89 HA THR 11 HA THR 11 9.517 4.234 -3.316 90 HB THR 11 HB THR 11 10.168 4.193 -0.363 91 HG1 THR 11 HG1 THR 11 11.504 6.069 -1.060 92 HG21 THR 11 3HG2 THR 11 11.925 3.956 -2.810 93 HG22 THR 11 1HG2 THR 11 11.508 2.649 -1.704 94 HG23 THR 11 2HG2 THR 11 12.488 4.002 -1.139 95 H LYS 12 H LYS 12 7.957 2.967 -0.378 96 HA LYS 12 HA LYS 12 8.752 0.285 -0.711 97 HB2 LYS 12 2HB LYS 12 6.368 1.480 0.706 98 HB3 LYS 12 3HB LYS 12 6.805 -0.221 0.797 99 HG2 LYS 12 2HG LYS 12 8.646 2.015 1.608 100 HG3 LYS 12 3HG LYS 12 7.565 1.178 2.722 101 HD2 LYS 12 2HD LYS 12 9.579 -0.278 1.026 102 HD3 LYS 12 3HD LYS 12 9.973 0.359 2.626 103 HE2 LYS 12 2HE LYS 12 8.119 -0.976 3.570 104 HE3 LYS 12 3HE LYS 12 7.826 -1.654 1.966 105 HZ1 LYS 12 3HZ LYS 12 10.177 -2.465 2.030 106 HZ2 LYS 12 1HZ LYS 12 9.149 -3.199 3.166 107 HZ3 LYS 12 2HZ LYS 12 10.246 -1.998 3.655 108 H LEU 13 H LEU 13 6.005 2.091 -1.963 109 HA LEU 13 HA LEU 13 4.544 -0.081 -2.998 110 HB2 LEU 13 2HB LEU 13 3.643 2.199 -2.732 111 HB3 LEU 13 3HB LEU 13 4.690 2.756 -4.023 112 HG LEU 13 HG LEU 13 3.500 1.241 -5.593 113 HD11 LEU 13 1HD1 LEU 13 2.711 -0.414 -3.998 114 HD12 LEU 13 2HD1 LEU 13 1.361 0.271 -4.904 115 HD13 LEU 13 3HD1 LEU 13 1.664 0.790 -3.246 116 HD21 LEU 13 3HD2 LEU 13 1.738 3.192 -4.113 117 HD22 LEU 13 1HD2 LEU 13 1.480 2.594 -5.755 118 HD23 LEU 13 2HD2 LEU 13 2.884 3.600 -5.393 119 H LYS 14 H LYS 14 7.167 1.854 -4.328 120 HA LYS 14 HA LYS 14 7.081 0.835 -6.963 121 HB2 LYS 14 2HB LYS 14 9.386 1.993 -5.386 122 HB3 LYS 14 3HB LYS 14 9.418 1.680 -7.118 123 HG2 LYS 14 2HG LYS 14 7.762 3.327 -7.530 124 HG3 LYS 14 3HG LYS 14 7.419 3.503 -5.808 125 HD2 LYS 14 2HD LYS 14 9.653 4.404 -5.442 126 HD3 LYS 14 3HD LYS 14 10.032 4.191 -7.154 127 HE2 LYS 14 2HE LYS 14 8.385 5.804 -7.788 128 HE3 LYS 14 3HE LYS 14 7.778 5.908 -6.134 129 HZ1 LYS 14 3HZ LYS 14 9.255 7.767 -6.810 130 HZ2 LYS 14 1HZ LYS 14 10.540 6.664 -6.926 131 HZ3 LYS 14 2HZ LYS 14 9.783 6.939 -5.430 132 H ASN 15 H ASN 15 8.294 -0.468 -4.008 133 HA ASN 15 HA ASN 15 10.131 -2.345 -5.121 134 HB2 ASN 15 2HB ASN 15 8.716 -2.238 -2.452 135 HB3 ASN 15 3HB ASN 15 9.916 -3.457 -2.862 136 HD21 ASN 15 1HD2 ASN 15 9.877 -1.338 -0.827 137 HD22 ASN 15 2HD2 ASN 15 11.321 -0.417 -1.077 138 H ILE 16 H ILE 16 6.722 -2.242 -4.719 139 HA ILE 16 HA ILE 16 6.269 -5.072 -4.872 140 HB ILE 16 HB ILE 16 4.329 -2.806 -5.385 141 HG12 ILE 16 2HG1 ILE 16 4.859 -4.351 -2.836 142 HG13 ILE 16 3HG1 ILE 16 5.384 -2.700 -3.146 143 HG21 ILE 16 1HG2 ILE 16 3.851 -5.713 -4.727 144 HG22 ILE 16 2HG2 ILE 16 3.535 -4.923 -6.270 145 HG23 ILE 16 3HG2 ILE 16 2.603 -4.473 -4.846 146 HD11 ILE 16 3HD1 ILE 16 3.396 -2.763 -1.745 147 HD12 ILE 16 1HD1 ILE 16 2.525 -3.635 -3.007 148 HD13 ILE 16 2HD1 ILE 16 3.062 -1.981 -3.290 149 HA PRO 17 HA PRO 17 6.938 -5.628 -9.254 150 HB2 PRO 17 2HB PRO 17 4.798 -7.666 -8.836 151 HB3 PRO 17 3HB PRO 17 6.368 -7.830 -9.631 152 HG2 PRO 17 2HG PRO 17 5.985 -8.804 -7.185 153 HG3 PRO 17 3HG PRO 17 7.515 -8.019 -7.622 154 HD2 PRO 17 2HD PRO 17 5.257 -6.987 -5.967 155 HD3 PRO 17 3HD PRO 17 7.001 -6.704 -5.800 156 H PHE 18 H PHE 18 6.032 -4.690 -10.978 157 HA PHE 18 HA PHE 18 3.873 -2.988 -10.814 158 HB2 PHE 18 2HB PHE 18 5.495 -2.751 -12.570 159 HB3 PHE 18 3HB PHE 18 5.087 -4.327 -13.236 160 HD1 PHE 18 HD1 PHE 18 3.825 -0.894 -12.713 161 HD2 PHE 18 HD2 PHE 18 3.351 -4.573 -14.793 162 HE1 PHE 18 HE1 PHE 18 2.199 0.174 -14.221 163 HE2 PHE 18 HE2 PHE 18 1.724 -3.518 -16.304 164 HZ PHE 18 HZ PHE 18 1.146 -1.139 -16.022 165 H PHE 19 H PHE 19 3.908 -6.349 -11.853 166 HA PHE 19 HA PHE 19 1.349 -6.544 -12.931 167 HB2 PHE 19 2HB PHE 19 2.972 -8.320 -13.179 168 HB3 PHE 19 3HB PHE 19 3.004 -8.589 -11.441 169 HD1 PHE 19 HD2 PHE 19 0.840 -8.830 -14.442 170 HD2 PHE 19 HD1 PHE 19 1.522 -10.095 -10.436 171 HE1 PHE 19 HE2 PHE 19 -0.916 -10.534 -14.682 172 HE2 PHE 19 HE1 PHE 19 -0.236 -11.800 -10.670 173 HZ PHE 19 HZ PHE 19 -1.459 -12.021 -12.796 174 H ALA 20 H ALA 20 2.340 -6.322 -9.606 175 HA ALA 20 HA ALA 20 -0.428 -6.893 -8.759 176 HB1 ALA 20 3HB ALA 20 2.093 -7.255 -7.147 177 HB2 ALA 20 1HB ALA 20 1.197 -8.546 -7.948 178 HB3 ALA 20 2HB ALA 20 0.452 -7.643 -6.630 179 H ARG 21 H ARG 21 1.988 -4.502 -8.958 180 HA ARG 21 HA ARG 21 1.656 -3.118 -6.562 181 HB2 ARG 21 2HB ARG 21 3.518 -2.600 -7.985 182 HB3 ARG 21 3HB ARG 21 2.448 -2.076 -9.282 183 HG2 ARG 21 2HG ARG 21 1.783 -0.149 -8.085 184 HG3 ARG 21 3HG ARG 21 2.517 -0.735 -6.595 185 HD2 ARG 21 2HD ARG 21 3.840 1.039 -7.665 186 HD3 ARG 21 3HD ARG 21 4.724 -0.479 -7.534 187 HE ARG 21 HE ARG 21 4.761 -0.647 -9.822 188 HH11 ARG 21 1HH1 ARG 21 2.566 1.926 -8.897 189 HH12 ARG 21 2HH1 ARG 21 2.495 2.618 -10.487 190 HH21 ARG 21 1HH2 ARG 21 4.665 0.259 -11.909 191 HH22 ARG 21 2HH2 ARG 21 3.671 1.650 -12.210 192 H SER 22 H SER 22 -0.068 -2.630 -9.644 193 HA SER 22 HA SER 22 -1.614 -0.441 -8.833 194 HB2 SER 22 2HB SER 22 -2.477 -2.600 -10.766 195 HB3 SER 22 3HB SER 22 -2.975 -0.908 -10.754 196 HG SER 22 HG SER 22 -1.387 -0.712 -12.138 197 H GLN 23 H GLN 23 -2.251 -3.909 -8.656 198 HA GLN 23 HA GLN 23 -4.835 -3.684 -7.508 199 HB2 GLN 23 2HB GLN 23 -4.224 -5.677 -8.695 200 HB3 GLN 23 3HB GLN 23 -2.842 -5.946 -7.646 201 HG2 GLN 23 2HG GLN 23 -4.271 -6.467 -5.802 202 HG3 GLN 23 3HG GLN 23 -5.703 -6.040 -6.736 203 HE21 GLN 23 1HE2 GLN 23 -3.020 -7.758 -8.137 204 HE22 GLN 23 2HE2 GLN 23 -3.828 -9.274 -8.316 205 H ALA 24 H ALA 24 -1.585 -4.020 -6.195 206 HA ALA 24 HA ALA 24 -2.340 -4.392 -3.492 207 HB1 ALA 24 3HB ALA 24 -0.111 -4.970 -4.303 208 HB2 ALA 24 1HB ALA 24 -0.021 -3.832 -2.959 209 HB3 ALA 24 2HB ALA 24 0.225 -3.267 -4.613 210 H LYS 25 H LYS 25 -1.630 -1.533 -5.435 211 HA LYS 25 HA LYS 25 -1.688 0.412 -3.451 212 HB2 LYS 25 2HB LYS 25 -1.048 0.849 -5.780 213 HB3 LYS 25 3HB LYS 25 -2.710 0.587 -6.293 214 HG2 LYS 25 2HG LYS 25 -3.438 2.526 -5.067 215 HG3 LYS 25 3HG LYS 25 -1.814 2.762 -4.420 216 HD2 LYS 25 2HD LYS 25 -0.985 3.073 -6.730 217 HD3 LYS 25 3HD LYS 25 -2.646 2.942 -7.314 218 HE2 LYS 25 2HE LYS 25 -1.717 4.995 -5.314 219 HE3 LYS 25 3HE LYS 25 -1.804 5.283 -7.049 220 HZ1 LYS 25 3HZ LYS 25 -4.171 4.899 -6.986 221 HZ2 LYS 25 1HZ LYS 25 -3.758 6.102 -5.867 222 HZ3 LYS 25 2HZ LYS 25 -4.117 4.534 -5.327 223 H ALA 26 H ALA 26 -4.355 -0.871 -5.409 224 HA ALA 26 HA ALA 26 -6.445 0.560 -4.239 225 HB1 ALA 26 3HB ALA 26 -7.904 -1.196 -5.122 226 HB2 ALA 26 1HB ALA 26 -6.494 -2.215 -5.418 227 HB3 ALA 26 2HB ALA 26 -6.692 -0.705 -6.306 228 H ARG 27 H ARG 27 -4.790 -2.351 -3.197 229 HA ARG 27 HA ARG 27 -6.610 -2.990 -1.089 230 HB2 ARG 27 2HB ARG 27 -5.093 -4.655 -2.102 231 HB3 ARG 27 3HB ARG 27 -3.713 -3.787 -1.459 232 HG2 ARG 27 2HG ARG 27 -4.186 -5.719 -0.106 233 HG3 ARG 27 3HG ARG 27 -4.507 -4.251 0.816 234 HD2 ARG 27 2HD ARG 27 -6.860 -4.495 0.536 235 HD3 ARG 27 3HD ARG 27 -6.645 -5.790 -0.644 236 HE ARG 27 HE ARG 27 -5.709 -7.126 1.229 237 HH11 ARG 27 1HH1 ARG 27 -7.833 -4.439 1.949 238 HH12 ARG 27 2HH1 ARG 27 -8.345 -5.094 3.470 239 HH21 ARG 27 1HH2 ARG 27 -6.394 -7.991 3.205 240 HH22 ARG 27 2HH2 ARG 27 -7.559 -7.123 4.166 241 H ILE 28 H ILE 28 -3.457 -1.358 -1.230 242 HA ILE 28 HA ILE 28 -3.144 -0.871 1.513 243 HB ILE 28 HB ILE 28 -2.128 0.778 -0.811 244 HG12 ILE 28 2HG1 ILE 28 -0.720 -1.382 0.769 245 HG13 ILE 28 3HG1 ILE 28 -1.488 -1.651 -0.791 246 HG21 ILE 28 1HG2 ILE 28 -0.400 1.552 0.763 247 HG22 ILE 28 2HG2 ILE 28 -1.222 0.690 2.065 248 HG23 ILE 28 3HG2 ILE 28 -2.023 2.038 1.258 249 HD11 ILE 28 3HD1 ILE 28 0.804 0.219 -0.253 250 HD12 ILE 28 1HD1 ILE 28 0.038 -0.055 -1.818 251 HD13 ILE 28 2HD1 ILE 28 0.908 -1.367 -1.021 252 H GLU 29 H GLU 29 -4.559 1.188 -1.025 253 HA GLU 29 HA GLU 29 -5.163 3.307 0.763 254 HB2 GLU 29 2HB GLU 29 -6.258 2.690 -1.986 255 HB3 GLU 29 3HB GLU 29 -6.529 4.197 -1.114 256 HG2 GLU 29 2HG GLU 29 -4.126 4.622 -1.087 257 HG3 GLU 29 3HG GLU 29 -3.843 3.108 -1.939 258 H GLN 30 H GLN 30 -6.894 0.418 -0.224 259 HA GLN 30 HA GLN 30 -9.361 1.135 1.018 260 HB2 GLN 30 2HB GLN 30 -9.140 -0.712 -0.647 261 HB3 GLN 30 3HB GLN 30 -8.261 -1.644 0.557 262 HG2 GLN 30 2HG GLN 30 -10.234 -1.574 2.023 263 HG3 GLN 30 3HG GLN 30 -11.112 -0.701 0.767 264 HE21 GLN 30 1HE2 GLN 30 -9.845 -3.754 1.782 265 HE22 GLN 30 2HE2 GLN 30 -10.605 -4.715 0.567 266 H LEU 31 H LEU 31 -6.402 -0.417 2.100 267 HA LEU 31 HA LEU 31 -7.255 -1.161 4.678 268 HB2 LEU 31 2HB LEU 31 -4.539 -0.444 3.579 269 HB3 LEU 31 3HB LEU 31 -4.779 -1.001 5.223 270 HG LEU 31 HG LEU 31 -5.627 -2.619 2.822 271 HD11 LEU 31 1HD1 LEU 31 -3.211 -2.212 2.714 272 HD12 LEU 31 2HD1 LEU 31 -3.576 -3.897 3.086 273 HD13 LEU 31 3HD1 LEU 31 -3.041 -2.806 4.366 274 HD21 LEU 31 3HD2 LEU 31 -5.106 -3.355 5.703 275 HD22 LEU 31 1HD2 LEU 31 -5.607 -4.460 4.423 276 HD23 LEU 31 2HD2 LEU 31 -6.693 -3.177 4.956 277 H ALA 32 H ALA 32 -5.864 1.830 3.407 278 HA ALA 32 HA ALA 32 -5.796 3.220 5.867 279 HB1 ALA 32 3HB ALA 32 -6.079 4.338 3.082 280 HB2 ALA 32 1HB ALA 32 -4.561 3.959 3.893 281 HB3 ALA 32 2HB ALA 32 -5.599 5.238 4.522 282 H ARG 33 H ARG 33 -8.269 2.950 3.332 283 HA ARG 33 HA ARG 33 -10.216 4.615 4.427 284 HB2 ARG 33 2HB ARG 33 -10.420 2.079 2.820 285 HB3 ARG 33 3HB ARG 33 -11.847 2.968 3.327 286 HG2 ARG 33 2HG ARG 33 -9.623 4.132 1.671 287 HG3 ARG 33 3HG ARG 33 -11.118 3.459 1.017 288 HD2 ARG 33 2HD ARG 33 -12.268 5.116 2.658 289 HD3 ARG 33 3HD ARG 33 -10.706 5.933 2.647 290 HE ARG 33 HE ARG 33 -11.586 5.422 -0.002 291 HH11 ARG 33 1HH1 ARG 33 -12.110 7.543 2.734 292 HH12 ARG 33 2HH1 ARG 33 -12.795 8.824 1.769 293 HH21 ARG 33 1HH2 ARG 33 -12.477 7.093 -1.272 294 HH22 ARG 33 2HH2 ARG 33 -13.010 8.565 -0.515 295 H GLN 34 H GLN 34 -9.490 1.220 5.094 296 HA GLN 34 HA GLN 34 -11.609 0.793 6.925 297 HB2 GLN 34 2HB GLN 34 -10.354 -1.005 5.745 298 HB3 GLN 34 3HB GLN 34 -8.957 -0.646 6.748 299 HG2 GLN 34 2HG GLN 34 -10.143 -1.320 8.728 300 HG3 GLN 34 3HG GLN 34 -11.626 -1.544 7.803 301 HE21 GLN 34 1HE2 GLN 34 -8.456 -2.452 6.653 302 HE22 GLN 34 2HE2 GLN 34 -8.720 -4.160 6.684 303 H ALA 35 H ALA 35 -8.259 1.812 7.295 304 HA ALA 35 HA ALA 35 -8.340 1.949 10.152 305 HB1 ALA 35 3HB ALA 35 -6.235 1.677 8.903 306 HB2 ALA 35 1HB ALA 35 -6.200 3.081 9.972 307 HB3 ALA 35 2HB ALA 35 -6.437 3.299 8.238 308 H GLU 36 H GLU 36 -9.606 3.833 7.687 309 HA GLU 36 HA GLU 36 -10.876 5.695 7.663 310 HB2 GLU 36 2HB GLU 36 -10.513 5.684 10.663 311 HB3 GLU 36 3HB GLU 36 -11.671 6.667 9.775 312 HG2 GLU 36 2HG GLU 36 -12.789 4.641 8.985 313 HG3 GLU 36 3HG GLU 36 -11.627 3.653 9.868 314 H GLN 37 H GLN 37 -8.011 5.780 7.373 315 HA GLN 37 HA GLN 37 -7.634 8.628 7.997 316 HB2 GLN 37 2HB GLN 37 -5.244 8.251 8.298 317 HB3 GLN 37 3HB GLN 37 -6.164 7.282 9.438 318 HG2 GLN 37 2HG GLN 37 -5.898 5.366 7.817 319 HG3 GLN 37 3HG GLN 37 -4.731 6.374 6.965 320 HE21 GLN 37 1HE2 GLN 37 -3.001 5.041 7.390 321 HE22 GLN 37 2HE2 GLN 37 -2.319 4.859 8.966 322 H ASP 38 H ASP 38 -6.072 9.689 6.464 323 HA ASP 38 HA ASP 38 -6.674 8.691 3.760 324 HB2 ASP 38 2HB ASP 38 -7.508 10.932 4.296 325 HB3 ASP 38 3HB ASP 38 -5.885 11.456 4.714 326 H ILE 39 H ILE 39 -4.135 9.410 5.957 327 HA ILE 39 HA ILE 39 -2.091 9.426 3.884 328 HB ILE 39 HB ILE 39 -1.811 9.687 6.881 329 HG12 ILE 39 2HG1 ILE 39 -1.689 11.841 4.765 330 HG13 ILE 39 3HG1 ILE 39 -3.118 11.503 5.736 331 HG21 ILE 39 1HG2 ILE 39 0.225 8.879 5.817 332 HG22 ILE 39 2HG2 ILE 39 0.432 10.539 6.374 333 HG23 ILE 39 3HG2 ILE 39 0.167 10.209 4.663 334 HD11 ILE 39 3HD1 ILE 39 -1.907 12.064 7.752 335 HD12 ILE 39 1HD1 ILE 39 -1.849 13.395 6.597 336 HD13 ILE 39 2HD1 ILE 39 -0.441 12.354 6.811 337 H VAL 40 H VAL 40 -1.169 7.607 3.223 338 HA VAL 40 HA VAL 40 -1.412 5.221 4.891 339 HB VAL 40 HB VAL 40 -0.755 3.922 2.975 340 HG11 VAL 40 1HG1 VAL 40 -3.085 4.578 3.083 341 HG12 VAL 40 2HG1 VAL 40 -2.549 4.470 1.409 342 HG13 VAL 40 3HG1 VAL 40 -2.736 6.047 2.177 343 HG21 VAL 40 3HG2 VAL 40 -0.240 4.952 0.808 344 HG22 VAL 40 1HG2 VAL 40 0.951 5.362 2.045 345 HG23 VAL 40 2HG2 VAL 40 -0.276 6.541 1.572 346 H THR 41 H THR 41 0.240 4.227 5.844 347 HA THR 41 HA THR 41 2.884 5.460 5.667 348 HB THR 41 HB THR 41 3.348 3.976 7.678 349 HG1 THR 41 HG1 THR 41 1.337 3.256 8.736 350 HG21 THR 41 3HG2 THR 41 2.815 6.348 7.937 351 HG22 THR 41 1HG2 THR 41 2.106 5.401 9.245 352 HG23 THR 41 2HG2 THR 41 1.091 5.971 7.921 353 HA PRO 42 HA PRO 42 4.684 2.071 3.412 354 HB2 PRO 42 2HB PRO 42 6.914 1.497 4.942 355 HB3 PRO 42 3HB PRO 42 6.824 2.791 3.742 356 HG2 PRO 42 2HG PRO 42 6.508 2.932 6.712 357 HG3 PRO 42 3HG PRO 42 7.342 4.051 5.618 358 HD2 PRO 42 2HD PRO 42 4.910 4.611 6.598 359 HD3 PRO 42 3HD PRO 42 5.361 5.060 4.938 360 H GLU 43 H GLU 43 4.050 1.811 6.795 361 HA GLU 43 HA GLU 43 4.371 -0.920 7.247 362 HB2 GLU 43 2HB GLU 43 3.999 0.704 9.028 363 HB3 GLU 43 3HB GLU 43 2.387 1.035 8.417 364 HG2 GLU 43 2HG GLU 43 1.651 -1.171 9.005 365 HG3 GLU 43 3HG GLU 43 3.290 -1.627 9.482 366 H LEU 44 H LEU 44 1.480 0.894 6.243 367 HA LEU 44 HA LEU 44 -0.166 -1.378 5.872 368 HB2 LEU 44 2HB LEU 44 -0.316 1.488 5.024 369 HB3 LEU 44 3HB LEU 44 -1.435 0.330 4.335 370 HG LEU 44 HG LEU 44 -2.287 -0.200 6.579 371 HD11 LEU 44 1HD1 LEU 44 -1.633 1.183 8.497 372 HD12 LEU 44 2HD1 LEU 44 -0.365 1.920 7.517 373 HD13 LEU 44 3HD1 LEU 44 -0.297 0.200 7.897 374 HD21 LEU 44 3HD2 LEU 44 -2.244 2.749 5.967 375 HD22 LEU 44 1HD2 LEU 44 -3.414 1.923 6.997 376 HD23 LEU 44 2HD2 LEU 44 -3.346 1.561 5.273 377 H VAL 45 H VAL 45 1.998 0.408 3.775 378 HA VAL 45 HA VAL 45 1.318 -0.714 1.307 379 HB VAL 45 HB VAL 45 4.034 0.189 2.285 380 HG11 VAL 45 1HG1 VAL 45 4.610 0.427 -0.085 381 HG12 VAL 45 2HG1 VAL 45 3.061 -0.288 -0.531 382 HG13 VAL 45 3HG1 VAL 45 4.258 -1.250 0.333 383 HG21 VAL 45 3HG2 VAL 45 1.895 1.634 0.728 384 HG22 VAL 45 1HG2 VAL 45 3.498 2.268 1.093 385 HG23 VAL 45 2HG2 VAL 45 2.361 1.940 2.401 386 H GLU 46 H GLU 46 3.876 -1.726 3.579 387 HA GLU 46 HA GLU 46 4.596 -4.048 2.149 388 HB2 GLU 46 2HB GLU 46 5.895 -2.849 4.014 389 HB3 GLU 46 3HB GLU 46 4.870 -3.739 5.132 390 HG2 GLU 46 2HG GLU 46 6.662 -5.134 5.030 391 HG3 GLU 46 3HG GLU 46 5.678 -5.803 3.731 392 H GLN 47 H GLN 47 2.263 -3.430 4.708 393 HA GLN 47 HA GLN 47 1.632 -6.024 5.461 394 HB2 GLN 47 2HB GLN 47 0.795 -3.608 6.245 395 HB3 GLN 47 3HB GLN 47 -0.586 -4.047 5.252 396 HG2 GLN 47 2HG GLN 47 0.490 -5.713 7.516 397 HG3 GLN 47 3HG GLN 47 -0.846 -4.575 7.657 398 HE21 GLN 47 1HE2 GLN 47 -1.907 -5.233 5.035 399 HE22 GLN 47 2HE2 GLN 47 -2.666 -6.780 5.177 400 H ALA 48 H ALA 48 0.044 -4.028 2.960 401 HA ALA 48 HA ALA 48 -1.696 -6.058 2.045 402 HB1 ALA 48 3HB ALA 48 -2.042 -3.672 1.572 403 HB2 ALA 48 1HB ALA 48 -2.045 -4.642 0.099 404 HB3 ALA 48 2HB ALA 48 -0.626 -3.684 0.520 405 H ARG 49 H ARG 49 1.607 -5.240 1.324 406 HA ARG 49 HA ARG 49 1.890 -6.749 -1.069 407 HB2 ARG 49 2HB ARG 49 3.397 -4.922 -0.307 408 HB3 ARG 49 3HB ARG 49 3.969 -5.977 0.974 409 HG2 ARG 49 2HG ARG 49 4.756 -7.561 -0.778 410 HG3 ARG 49 3HG ARG 49 4.331 -6.341 -1.987 411 HD2 ARG 49 2HD ARG 49 5.808 -4.740 -0.868 412 HD3 ARG 49 3HD ARG 49 6.237 -5.978 0.307 413 HE ARG 49 HE ARG 49 6.753 -6.785 -2.393 414 HH11 ARG 49 1HH1 ARG 49 8.009 -5.073 0.399 415 HH12 ARG 49 2HH1 ARG 49 9.668 -5.166 -0.143 416 HH21 ARG 49 1HH2 ARG 49 8.915 -6.859 -3.124 417 HH22 ARG 49 2HH2 ARG 49 10.174 -6.126 -2.180 418 H LEU 50 H LEU 50 2.210 -7.394 2.338 419 HA LEU 50 HA LEU 50 3.351 -9.965 2.200 420 HB2 LEU 50 2HB LEU 50 2.749 -8.226 4.201 421 HB3 LEU 50 3HB LEU 50 1.450 -9.383 4.388 422 HG LEU 50 HG LEU 50 3.418 -9.829 5.845 423 HD11 LEU 50 1HD1 LEU 50 3.514 -12.229 5.400 424 HD12 LEU 50 2HD1 LEU 50 2.781 -11.962 3.815 425 HD13 LEU 50 3HD1 LEU 50 1.864 -11.613 5.283 426 HD21 LEU 50 3HD2 LEU 50 5.167 -9.120 4.305 427 HD22 LEU 50 1HD2 LEU 50 4.773 -10.457 3.223 428 HD23 LEU 50 2HD2 LEU 50 5.430 -10.783 4.827 429 H GLU 51 H GLU 51 -0.010 -8.844 2.360 430 HA GLU 51 HA GLU 51 -1.246 -11.344 2.515 431 HB2 GLU 51 2HB GLU 51 -2.251 -8.783 1.271 432 HB3 GLU 51 3HB GLU 51 -3.254 -10.191 1.600 433 HG2 GLU 51 2HG GLU 51 -2.645 -9.973 4.005 434 HG3 GLU 51 3HG GLU 51 -1.827 -8.464 3.605 435 H PHE 52 H PHE 52 -0.478 -9.373 -0.351 436 HA PHE 52 HA PHE 52 -1.473 -11.299 -2.194 437 HB2 PHE 52 2HB PHE 52 0.377 -8.943 -2.565 438 HB3 PHE 52 3HB PHE 52 -0.154 -9.967 -3.894 439 HD1 PHE 52 HD1 PHE 52 -2.774 -10.305 -4.017 440 HD2 PHE 52 HD2 PHE 52 -0.820 -7.036 -2.119 441 HE1 PHE 52 HE1 PHE 52 -4.819 -8.954 -4.244 442 HE2 PHE 52 HE2 PHE 52 -2.859 -5.683 -2.342 443 HZ PHE 52 HZ PHE 52 -4.864 -6.641 -3.404 444 H GLY 53 H GLY 53 1.417 -11.061 -0.403 445 HA2 GLY 53 2HA GLY 53 2.970 -12.784 -2.128 446 HA3 GLY 53 3HA GLY 53 3.416 -12.232 -0.517 447 H GLN 54 H GLN 54 0.700 -13.194 0.452 448 HA GLN 54 HA GLN 54 1.566 -15.923 0.978 449 HB2 GLN 54 2HB GLN 54 -0.730 -14.350 2.152 450 HB3 GLN 54 3HB GLN 54 -0.199 -15.935 2.692 451 HG2 GLN 54 2HG GLN 54 1.346 -13.363 2.857 452 HG3 GLN 54 3HG GLN 54 0.608 -14.246 4.190 453 HE21 GLN 54 1HE2 GLN 54 1.564 -16.160 4.907 454 HE22 GLN 54 2HE2 GLN 54 3.206 -16.551 4.528 455 H LEU 55 H LEU 55 -1.044 -14.174 -0.577 456 HA LEU 55 HA LEU 55 -2.839 -16.284 -0.985 457 HB2 LEU 55 2HB LEU 55 -2.294 -13.885 -2.735 458 HB3 LEU 55 3HB LEU 55 -3.686 -14.938 -2.885 459 HG LEU 55 HG LEU 55 -3.055 -13.230 -0.475 460 HD11 LEU 55 1HD1 LEU 55 -4.961 -11.885 -1.192 461 HD12 LEU 55 2HD1 LEU 55 -5.126 -12.881 -2.639 462 HD13 LEU 55 3HD1 LEU 55 -3.685 -11.888 -2.411 463 HD21 LEU 55 3HD2 LEU 55 -4.258 -15.250 0.121 464 HD22 LEU 55 1HD2 LEU 55 -5.449 -14.932 -1.141 465 HD23 LEU 55 2HD2 LEU 55 -5.318 -13.844 0.241 466 H GLU 56 H GLU 56 -0.758 -14.888 -3.493 467 HA GLU 56 HA GLU 56 -0.052 -17.594 -4.384 468 HB2 GLU 56 2HB GLU 56 -0.730 -15.331 -6.280 469 HB3 GLU 56 3HB GLU 56 -0.293 -16.971 -6.721 470 HG2 GLU 56 2HG GLU 56 -2.543 -17.042 -7.027 471 HG3 GLU 56 3HG GLU 56 -2.438 -17.583 -5.353 472 H HIS 57 H HIS 57 1.560 -16.814 -6.501 473 HA HIS 57 HA HIS 57 3.482 -15.832 -7.183 474 HB2 HIS 57 2HB HIS 57 3.198 -13.766 -5.006 475 HB3 HIS 57 3HB HIS 57 4.022 -13.613 -6.550 476 HD1 HIS 57 HD1 HIS 57 0.930 -12.810 -4.891 477 HD2 HIS 57 HD2 HIS 57 2.062 -13.655 -8.805 478 HE1 HIS 57 HE1 HIS 57 -0.934 -11.945 -6.339 479 HE2 HIS 57 HE2 HIS 57 -0.330 -12.662 -8.675 480 H HIS 58 H HIS 58 4.849 -17.448 -6.650 481 HA HIS 58 HA HIS 58 6.837 -18.187 -5.836 482 HB2 HIS 58 2HB HIS 58 6.667 -15.769 -4.035 483 HB3 HIS 58 3HB HIS 58 8.012 -16.901 -4.014 484 HD1 HIS 58 HD1 HIS 58 9.929 -16.019 -5.245 485 HD2 HIS 58 HD2 HIS 58 6.332 -14.804 -6.941 486 HE1 HIS 58 HE1 HIS 58 10.555 -14.598 -7.226 487 HE2 HIS 58 HE2 HIS 58 8.366 -13.692 -8.088 488 H HIS 59 H HIS 59 5.239 -16.918 -2.910 489 HA HIS 59 HA HIS 59 5.339 -17.744 -0.792 490 HB2 HIS 59 2HB HIS 59 3.819 -19.593 -0.387 491 HB3 HIS 59 3HB HIS 59 3.147 -18.506 -1.588 492 HD1 HIS 59 HD1 HIS 59 4.223 -22.000 -1.037 493 HD2 HIS 59 HD2 HIS 59 2.915 -19.629 -4.198 494 HE1 HIS 59 HE1 HIS 59 3.607 -23.601 -2.874 495 HE2 HIS 59 HE2 HIS 59 2.649 -22.160 -4.704 496 H HIS 60 H HIS 60 7.719 -17.976 -1.662 497 HA HIS 60 HA HIS 60 8.736 -20.525 -0.681 498 HB2 HIS 60 2HB HIS 60 8.578 -20.880 -3.084 499 HB3 HIS 60 3HB HIS 60 9.368 -19.341 -3.400 500 HD1 HIS 60 HD1 HIS 60 11.723 -19.619 -4.084 501 HD2 HIS 60 HD2 HIS 60 10.506 -22.632 -1.489 502 HE1 HIS 60 HE1 HIS 60 13.708 -21.137 -3.832 503 HE2 HIS 60 HE2 HIS 60 12.991 -22.889 -2.168 504 H HIS 61 H HIS 61 10.482 -20.192 0.586 505 HA HIS 61 HA HIS 61 11.446 -17.471 0.918 506 HB2 HIS 61 2HB HIS 61 12.234 -20.008 2.382 507 HB3 HIS 61 3HB HIS 61 12.718 -18.375 2.827 508 HD1 HIS 61 HD1 HIS 61 11.005 -16.936 4.092 509 HD2 HIS 61 HD2 HIS 61 9.575 -20.685 2.994 510 HE1 HIS 61 HE1 HIS 61 8.869 -17.249 5.370 511 HE2 HIS 61 HE2 HIS 61 7.979 -19.492 4.642 512 H HIS 62 H HIS 62 13.974 -17.463 1.425 513 HA HIS 62 HA HIS 62 15.278 -18.641 -0.923 514 HB2 HIS 62 2HB HIS 62 15.463 -16.166 -0.548 515 HB3 HIS 62 3HB HIS 62 16.321 -16.498 0.950 516 HD1 HIS 62 HD1 HIS 62 18.781 -17.064 0.792 517 HD2 HIS 62 HD2 HIS 62 16.923 -16.798 -2.914 518 HE1 HIS 62 HE1 HIS 62 20.641 -17.103 -0.902 519 HE2 HIS 62 HE2 HIS 62 19.500 -16.673 -3.105 Start of MODEL 11 1 H1 MET 1 1H MET 1 -9.793 11.410 -3.529 2 H2 MET 1 2H MET 1 -11.123 11.384 -4.572 3 H3 MET 1 3H MET 1 -9.704 12.187 -5.032 4 HA MET 1 HA MET 1 -10.042 9.270 -4.639 5 HB2 MET 1 2HB MET 1 -9.520 10.937 -7.112 6 HB3 MET 1 3HB MET 1 -9.465 9.180 -7.067 7 HG2 MET 1 2HG MET 1 -11.826 9.133 -6.418 8 HG3 MET 1 3HG MET 1 -11.874 10.892 -6.497 9 HE1 MET 1 3HE MET 1 -10.024 11.442 -9.095 10 HE2 MET 1 1HE MET 1 -11.531 12.279 -8.721 11 HE3 MET 1 2HE MET 1 -11.297 11.559 -10.313 12 H ASN 2 H ASN 2 -8.209 8.037 -4.667 13 HA ASN 2 HA ASN 2 -6.069 7.497 -4.158 14 HB2 ASN 2 2HB ASN 2 -5.457 10.159 -5.451 15 HB3 ASN 2 3HB ASN 2 -4.204 9.146 -4.745 16 HD21 ASN 2 1HD2 ASN 2 -6.389 9.591 -7.366 17 HD22 ASN 2 2HD2 ASN 2 -5.816 8.290 -8.355 18 H LEU 3 H LEU 3 -4.895 7.550 -2.306 19 HA LEU 3 HA LEU 3 -5.697 9.627 -0.403 20 HB2 LEU 3 2HB LEU 3 -4.300 6.990 0.041 21 HB3 LEU 3 3HB LEU 3 -4.754 8.114 1.308 22 HG LEU 3 HG LEU 3 -6.626 6.574 -0.487 23 HD11 LEU 3 1HD1 LEU 3 -6.080 6.451 2.472 24 HD12 LEU 3 2HD1 LEU 3 -5.672 5.223 1.272 25 HD13 LEU 3 3HD1 LEU 3 -7.361 5.572 1.640 26 HD21 LEU 3 3HD2 LEU 3 -7.265 8.587 1.666 27 HD22 LEU 3 1HD2 LEU 3 -8.434 7.589 0.800 28 HD23 LEU 3 2HD2 LEU 3 -7.505 8.812 -0.068 29 H ARG 4 H ARG 4 -3.838 9.988 1.307 30 HA ARG 4 HA ARG 4 -1.675 11.206 -0.171 31 HB2 ARG 4 2HB ARG 4 -2.560 11.242 2.695 32 HB3 ARG 4 3HB ARG 4 -0.977 11.856 2.241 33 HG2 ARG 4 2HG ARG 4 -1.984 13.487 0.780 34 HG3 ARG 4 3HG ARG 4 -3.589 12.828 1.113 35 HD2 ARG 4 2HD ARG 4 -3.695 13.757 3.180 36 HD3 ARG 4 3HD ARG 4 -1.957 13.630 3.444 37 HE ARG 4 HE ARG 4 -2.224 15.523 1.488 38 HH11 ARG 4 1HH1 ARG 4 -3.596 15.135 4.685 39 HH12 ARG 4 2HH1 ARG 4 -3.511 16.834 5.063 40 HH21 ARG 4 1HH2 ARG 4 -2.119 17.736 1.961 41 HH22 ARG 4 2HH2 ARG 4 -2.675 18.322 3.504 42 H TRP 5 H TRP 5 0.061 10.130 -0.684 43 HA TRP 5 HA TRP 5 0.866 7.826 0.924 44 HB2 TRP 5 2HB TRP 5 1.678 8.751 -1.839 45 HB3 TRP 5 3HB TRP 5 2.408 7.375 -1.017 46 HD1 TRP 5 HD1 TRP 5 -1.169 8.475 -2.093 47 HE1 TRP 5 HE1 TRP 5 -2.455 6.369 -2.831 48 HE3 TRP 5 HE3 TRP 5 2.423 4.976 -1.119 49 HZ2 TRP 5 HZ2 TRP 5 -1.979 3.592 -3.009 50 HZ3 TRP 5 HZ3 TRP 5 1.932 2.615 -1.607 51 HH2 TRP 5 HH2 TRP 5 -0.227 1.940 -2.527 52 H THR 6 H THR 6 2.585 7.899 2.208 53 HA THR 6 HA THR 6 4.052 10.344 2.499 54 HB THR 6 HB THR 6 5.329 9.091 4.233 55 HG1 THR 6 HG1 THR 6 3.886 6.939 4.543 56 HG21 THR 6 3HG2 THR 6 2.322 8.846 4.390 57 HG22 THR 6 1HG2 THR 6 3.283 10.252 4.852 58 HG23 THR 6 2HG2 THR 6 3.424 8.746 5.762 59 H SER 7 H SER 7 6.524 10.266 2.543 60 HA SER 7 HA SER 7 7.429 9.699 -0.043 61 HB2 SER 7 2HB SER 7 9.081 10.087 2.465 62 HB3 SER 7 3HB SER 7 9.657 10.261 0.805 63 HG SER 7 HG SER 7 8.428 12.073 2.353 64 H GLU 8 H GLU 8 7.769 7.885 2.963 65 HA GLU 8 HA GLU 8 9.406 5.830 1.881 66 HB2 GLU 8 2HB GLU 8 7.655 5.911 4.339 67 HB3 GLU 8 3HB GLU 8 8.753 4.593 3.956 68 HG2 GLU 8 2HG GLU 8 9.618 7.447 4.311 69 HG3 GLU 8 3HG GLU 8 9.631 6.240 5.597 70 H ALA 9 H ALA 9 5.919 6.248 2.283 71 HA ALA 9 HA ALA 9 5.149 3.631 1.569 72 HB1 ALA 9 3HB ALA 9 3.610 6.198 1.194 73 HB2 ALA 9 1HB ALA 9 3.627 5.213 2.655 74 HB3 ALA 9 2HB ALA 9 2.939 4.568 1.165 75 H LYS 10 H LYS 10 5.623 6.567 -0.353 76 HA LYS 10 HA LYS 10 4.871 5.582 -2.852 77 HB2 LYS 10 2HB LYS 10 7.058 7.565 -2.176 78 HB3 LYS 10 3HB LYS 10 6.393 7.314 -3.783 79 HG2 LYS 10 2HG LYS 10 4.261 8.157 -3.112 80 HG3 LYS 10 3HG LYS 10 4.757 8.206 -1.417 81 HD2 LYS 10 2HD LYS 10 6.492 9.869 -2.021 82 HD3 LYS 10 3HD LYS 10 5.874 9.869 -3.672 83 HE2 LYS 10 2HE LYS 10 4.219 10.568 -1.251 84 HE3 LYS 10 3HE LYS 10 5.057 11.756 -2.244 85 HZ1 LYS 10 3HZ LYS 10 3.747 10.950 -4.160 86 HZ2 LYS 10 1HZ LYS 10 2.789 11.621 -2.930 87 HZ3 LYS 10 2HZ LYS 10 2.874 9.939 -3.117 88 H THR 11 H THR 11 8.024 5.479 -1.226 89 HA THR 11 HA THR 11 9.416 4.131 -3.269 90 HB THR 11 HB THR 11 9.953 4.082 -0.291 91 HG1 THR 11 HG1 THR 11 11.144 5.795 -2.228 92 HG21 THR 11 3HG2 THR 11 12.273 3.654 -0.946 93 HG22 THR 11 1HG2 THR 11 11.790 3.614 -2.642 94 HG23 THR 11 2HG2 THR 11 11.205 2.378 -1.529 95 H LYS 12 H LYS 12 7.662 2.937 -0.416 96 HA LYS 12 HA LYS 12 8.288 0.222 -0.707 97 HB2 LYS 12 2HB LYS 12 5.961 1.647 0.562 98 HB3 LYS 12 3HB LYS 12 6.085 -0.105 0.566 99 HG2 LYS 12 2HG LYS 12 8.236 1.687 1.659 100 HG3 LYS 12 3HG LYS 12 6.903 1.069 2.635 101 HD2 LYS 12 2HD LYS 12 7.582 -1.227 2.088 102 HD3 LYS 12 3HD LYS 12 8.926 -0.594 1.135 103 HE2 LYS 12 2HE LYS 12 9.898 0.412 3.106 104 HE3 LYS 12 3HE LYS 12 8.514 -0.085 4.078 105 HZ1 LYS 12 3HZ LYS 12 10.436 -1.544 4.368 106 HZ2 LYS 12 1HZ LYS 12 10.397 -1.943 2.719 107 HZ3 LYS 12 2HZ LYS 12 9.103 -2.382 3.729 108 H LEU 13 H LEU 13 5.620 2.140 -2.058 109 HA LEU 13 HA LEU 13 4.218 0.011 -3.241 110 HB2 LEU 13 2HB LEU 13 3.307 2.294 -2.986 111 HB3 LEU 13 3HB LEU 13 4.421 2.870 -4.210 112 HG LEU 13 HG LEU 13 3.320 1.417 -5.881 113 HD11 LEU 13 1HD1 LEU 13 1.397 0.802 -3.640 114 HD12 LEU 13 2HD1 LEU 13 2.523 -0.332 -4.389 115 HD13 LEU 13 3HD1 LEU 13 1.191 0.342 -5.331 116 HD21 LEU 13 3HD2 LEU 13 1.489 3.295 -4.385 117 HD22 LEU 13 1HD2 LEU 13 1.188 2.676 -6.011 118 HD23 LEU 13 2HD2 LEU 13 2.582 3.713 -5.704 119 H LYS 14 H LYS 14 6.931 1.949 -4.379 120 HA LYS 14 HA LYS 14 6.952 0.848 -7.013 121 HB2 LYS 14 2HB LYS 14 9.051 2.376 -5.474 122 HB3 LYS 14 3HB LYS 14 9.201 1.928 -7.168 123 HG2 LYS 14 2HG LYS 14 7.276 3.275 -7.734 124 HG3 LYS 14 3HG LYS 14 7.018 3.661 -6.032 125 HD2 LYS 14 2HD LYS 14 9.197 4.781 -5.963 126 HD3 LYS 14 3HD LYS 14 9.441 4.398 -7.669 127 HE2 LYS 14 2HE LYS 14 7.507 5.738 -8.272 128 HE3 LYS 14 3HE LYS 14 7.184 6.071 -6.571 129 HZ1 LYS 14 3HZ LYS 14 8.341 7.895 -7.707 130 HZ2 LYS 14 1HZ LYS 14 9.658 6.869 -8.011 131 HZ3 LYS 14 2HZ LYS 14 9.244 7.269 -6.414 132 H ASN 15 H ASN 15 7.837 -0.451 -4.055 133 HA ASN 15 HA ASN 15 9.934 -2.160 -5.136 134 HB2 ASN 15 2HB ASN 15 8.855 -1.587 -2.426 135 HB3 ASN 15 3HB ASN 15 9.549 -3.184 -2.692 136 HD21 ASN 15 1HD2 ASN 15 10.193 0.259 -2.687 137 HD22 ASN 15 2HD2 ASN 15 11.925 0.120 -2.560 138 H ILE 16 H ILE 16 6.598 -2.113 -4.949 139 HA ILE 16 HA ILE 16 6.221 -4.980 -4.807 140 HB ILE 16 HB ILE 16 4.238 -2.799 -5.503 141 HG12 ILE 16 2HG1 ILE 16 4.730 -4.215 -2.875 142 HG13 ILE 16 3HG1 ILE 16 5.226 -2.568 -3.242 143 HG21 ILE 16 1HG2 ILE 16 3.784 -5.669 -4.691 144 HG22 ILE 16 2HG2 ILE 16 3.545 -5.000 -6.306 145 HG23 ILE 16 3HG2 ILE 16 2.529 -4.463 -4.969 146 HD11 ILE 16 3HD1 ILE 16 3.219 -2.572 -1.907 147 HD12 ILE 16 1HD1 ILE 16 2.398 -3.583 -3.096 148 HD13 ILE 16 2HD1 ILE 16 2.874 -1.937 -3.516 149 HA PRO 17 HA PRO 17 7.064 -5.803 -9.107 150 HB2 PRO 17 2HB PRO 17 4.924 -7.840 -8.729 151 HB3 PRO 17 3HB PRO 17 6.553 -8.027 -9.384 152 HG2 PRO 17 2HG PRO 17 5.977 -8.870 -6.926 153 HG3 PRO 17 3HG PRO 17 7.533 -8.100 -7.287 154 HD2 PRO 17 2HD PRO 17 5.148 -6.991 -5.881 155 HD3 PRO 17 3HD PRO 17 6.873 -6.700 -5.581 156 H PHE 18 H PHE 18 6.245 -5.046 -10.964 157 HA PHE 18 HA PHE 18 4.146 -3.265 -11.020 158 HB2 PHE 18 2HB PHE 18 5.848 -3.264 -12.731 159 HB3 PHE 18 3HB PHE 18 5.349 -4.854 -13.296 160 HD1 PHE 18 HD2 PHE 18 4.223 -1.335 -12.979 161 HD2 PHE 18 HD1 PHE 18 3.703 -5.079 -14.935 162 HE1 PHE 18 HE2 PHE 18 2.683 -0.280 -14.580 163 HE2 PHE 18 HE1 PHE 18 2.160 -4.030 -16.540 164 HZ PHE 18 HZ PHE 18 1.650 -1.628 -16.364 165 H PHE 19 H PHE 19 4.075 -6.698 -11.773 166 HA PHE 19 HA PHE 19 1.568 -6.794 -13.020 167 HB2 PHE 19 2HB PHE 19 2.916 -8.967 -11.407 168 HB3 PHE 19 3HB PHE 19 1.648 -9.196 -12.606 169 HD1 PHE 19 HD1 PHE 19 2.139 -8.680 -15.007 170 HD2 PHE 19 HD2 PHE 19 5.176 -8.825 -12.030 171 HE1 PHE 19 HE1 PHE 19 3.845 -8.912 -16.764 172 HE2 PHE 19 HE2 PHE 19 6.889 -9.056 -13.780 173 HZ PHE 19 HZ PHE 19 6.225 -9.100 -16.152 174 H ALA 20 H ALA 20 2.410 -6.502 -9.674 175 HA ALA 20 HA ALA 20 -0.416 -6.937 -8.950 176 HB1 ALA 20 3HB ALA 20 1.983 -7.621 -7.251 177 HB2 ALA 20 1HB ALA 20 1.013 -8.781 -8.160 178 HB3 ALA 20 2HB ALA 20 0.288 -7.875 -6.832 179 H ARG 21 H ARG 21 1.806 -4.610 -9.325 180 HA ARG 21 HA ARG 21 1.826 -3.316 -6.802 181 HB2 ARG 21 2HB ARG 21 3.575 -2.934 -8.468 182 HB3 ARG 21 3HB ARG 21 2.405 -2.187 -9.547 183 HG2 ARG 21 2HG ARG 21 2.106 -0.344 -8.070 184 HG3 ARG 21 3HG ARG 21 3.042 -1.135 -6.801 185 HD2 ARG 21 2HD ARG 21 4.316 0.625 -7.960 186 HD3 ARG 21 3HD ARG 21 5.054 -0.966 -8.126 187 HE ARG 21 HE ARG 21 4.740 -0.843 -10.386 188 HH11 ARG 21 1HH1 ARG 21 2.730 1.572 -8.846 189 HH12 ARG 21 2HH1 ARG 21 2.290 2.349 -10.335 190 HH21 ARG 21 1HH2 ARG 21 4.174 0.165 -12.341 191 HH22 ARG 21 2HH2 ARG 21 3.106 1.534 -12.331 192 H SER 22 H SER 22 -0.055 -2.748 -9.760 193 HA SER 22 HA SER 22 -1.554 -0.573 -8.819 194 HB2 SER 22 2HB SER 22 -2.686 -2.637 -10.694 195 HB3 SER 22 3HB SER 22 -2.871 -0.882 -10.732 196 HG SER 22 HG SER 22 -1.351 -1.073 -12.210 197 H GLN 23 H GLN 23 -2.014 -4.046 -8.585 198 HA GLN 23 HA GLN 23 -4.612 -4.016 -7.473 199 HB2 GLN 23 2HB GLN 23 -3.354 -5.955 -8.581 200 HB3 GLN 23 3HB GLN 23 -2.532 -6.157 -7.043 201 HG2 GLN 23 2HG GLN 23 -4.293 -7.714 -7.065 202 HG3 GLN 23 3HG GLN 23 -4.801 -6.413 -5.987 203 HE21 GLN 23 1HE2 GLN 23 -5.281 -7.938 -9.071 204 HE22 GLN 23 2HE2 GLN 23 -6.805 -7.189 -9.433 205 H ALA 24 H ALA 24 -1.376 -4.286 -6.061 206 HA ALA 24 HA ALA 24 -2.170 -4.510 -3.380 207 HB1 ALA 24 3HB ALA 24 0.394 -3.355 -4.462 208 HB2 ALA 24 1HB ALA 24 0.080 -5.066 -4.180 209 HB3 ALA 24 2HB ALA 24 0.122 -3.942 -2.822 210 H LYS 25 H LYS 25 -1.322 -1.672 -5.329 211 HA LYS 25 HA LYS 25 -1.440 0.277 -3.361 212 HB2 LYS 25 2HB LYS 25 -0.609 0.909 -5.478 213 HB3 LYS 25 3HB LYS 25 -2.050 0.344 -6.308 214 HG2 LYS 25 2HG LYS 25 -3.315 2.193 -5.594 215 HG3 LYS 25 3HG LYS 25 -2.112 2.648 -4.387 216 HD2 LYS 25 2HD LYS 25 -0.629 3.459 -5.997 217 HD3 LYS 25 3HD LYS 25 -1.426 2.583 -7.302 218 HE2 LYS 25 2HE LYS 25 -1.861 5.003 -7.373 219 HE3 LYS 25 3HE LYS 25 -3.323 4.050 -7.187 220 HZ1 LYS 25 3HZ LYS 25 -3.332 4.577 -4.827 221 HZ2 LYS 25 1HZ LYS 25 -3.335 5.993 -5.758 222 HZ3 LYS 25 2HZ LYS 25 -1.907 5.484 -5.010 223 H ALA 26 H ALA 26 -4.079 -1.074 -5.311 224 HA ALA 26 HA ALA 26 -6.134 0.560 -4.323 225 HB1 ALA 26 3HB ALA 26 -7.663 -1.156 -5.116 226 HB2 ALA 26 1HB ALA 26 -6.331 -2.308 -5.243 227 HB3 ALA 26 2HB ALA 26 -6.374 -0.889 -6.290 228 H ARG 27 H ARG 27 -4.769 -2.474 -3.121 229 HA ARG 27 HA ARG 27 -6.626 -2.777 -0.985 230 HB2 ARG 27 2HB ARG 27 -5.148 -4.595 -1.963 231 HB3 ARG 27 3HB ARG 27 -3.821 -3.887 -1.054 232 HG2 ARG 27 2HG ARG 27 -4.654 -5.684 0.238 233 HG3 ARG 27 3HG ARG 27 -5.214 -4.202 1.016 234 HD2 ARG 27 2HD ARG 27 -7.368 -4.472 -0.240 235 HD3 ARG 27 3HD ARG 27 -6.795 -6.059 -0.752 236 HE ARG 27 HE ARG 27 -7.784 -5.307 1.851 237 HH11 ARG 27 1HH1 ARG 27 -5.904 -7.636 0.048 238 HH12 ARG 27 2HH1 ARG 27 -6.105 -8.908 1.214 239 HH21 ARG 27 1HH2 ARG 27 -8.092 -6.966 3.372 240 HH22 ARG 27 2HH2 ARG 27 -7.354 -8.525 3.114 241 H ILE 28 H ILE 28 -3.409 -1.318 -1.244 242 HA ILE 28 HA ILE 28 -2.923 -0.792 1.452 243 HB ILE 28 HB ILE 28 -2.146 0.909 -0.923 244 HG12 ILE 28 2HG1 ILE 28 -0.531 -1.207 0.506 245 HG13 ILE 28 3HG1 ILE 28 -1.432 -1.506 -0.975 246 HG21 ILE 28 1HG2 ILE 28 -0.356 1.764 0.502 247 HG22 ILE 28 2HG2 ILE 28 -0.963 0.805 1.851 248 HG23 ILE 28 3HG2 ILE 28 -1.940 2.118 1.194 249 HD11 ILE 28 3HD1 ILE 28 0.848 0.429 -0.641 250 HD12 ILE 28 1HD1 ILE 28 -0.068 0.170 -2.126 251 HD13 ILE 28 2HD1 ILE 28 0.909 -1.135 -1.451 252 H GLU 29 H GLU 29 -4.429 1.330 -0.978 253 HA GLU 29 HA GLU 29 -5.041 3.364 0.905 254 HB2 GLU 29 2HB GLU 29 -6.143 2.849 -1.863 255 HB3 GLU 29 3HB GLU 29 -6.382 4.331 -0.941 256 HG2 GLU 29 2HG GLU 29 -3.969 4.707 -0.914 257 HG3 GLU 29 3HG GLU 29 -3.726 3.220 -1.821 258 H GLN 30 H GLN 30 -6.631 0.445 -0.076 259 HA GLN 30 HA GLN 30 -9.191 1.051 1.027 260 HB2 GLN 30 2HB GLN 30 -8.810 -0.807 -0.561 261 HB3 GLN 30 3HB GLN 30 -7.851 -1.639 0.656 262 HG2 GLN 30 2HG GLN 30 -9.863 -1.676 2.120 263 HG3 GLN 30 3HG GLN 30 -10.789 -1.012 0.772 264 HE21 GLN 30 1HE2 GLN 30 -11.129 -2.278 -1.063 265 HE22 GLN 30 2HE2 GLN 30 -10.964 -4.007 -1.016 266 H LEU 31 H LEU 31 -6.296 -0.581 2.254 267 HA LEU 31 HA LEU 31 -7.231 -1.255 4.799 268 HB2 LEU 31 2HB LEU 31 -4.438 -0.546 3.895 269 HB3 LEU 31 3HB LEU 31 -4.826 -1.296 5.432 270 HG LEU 31 HG LEU 31 -5.487 -2.565 2.776 271 HD11 LEU 31 1HD1 LEU 31 -3.068 -2.266 2.960 272 HD12 LEU 31 2HD1 LEU 31 -3.523 -3.965 3.097 273 HD13 LEU 31 3HD1 LEU 31 -3.091 -3.046 4.542 274 HD21 LEU 31 3HD2 LEU 31 -5.295 -3.693 5.564 275 HD22 LEU 31 1HD2 LEU 31 -5.712 -4.588 4.105 276 HD23 LEU 31 2HD2 LEU 31 -6.792 -3.330 4.707 277 H ALA 32 H ALA 32 -5.726 1.718 3.606 278 HA ALA 32 HA ALA 32 -5.546 3.034 6.093 279 HB1 ALA 32 3HB ALA 32 -5.877 4.234 3.346 280 HB2 ALA 32 1HB ALA 32 -4.348 3.805 4.114 281 HB3 ALA 32 2HB ALA 32 -5.346 5.093 4.795 282 H ARG 33 H ARG 33 -8.120 2.919 3.667 283 HA ARG 33 HA ARG 33 -9.866 4.701 4.970 284 HB2 ARG 33 2HB ARG 33 -10.294 2.525 2.939 285 HB3 ARG 33 3HB ARG 33 -11.629 3.487 3.566 286 HG2 ARG 33 2HG ARG 33 -10.643 5.506 2.729 287 HG3 ARG 33 3HG ARG 33 -9.187 4.642 2.244 288 HD2 ARG 33 2HD ARG 33 -11.889 3.928 1.148 289 HD3 ARG 33 3HD ARG 33 -10.903 5.198 0.427 290 HE ARG 33 HE ARG 33 -9.358 2.866 0.716 291 HH11 ARG 33 1HH1 ARG 33 -12.018 4.126 -1.192 292 HH12 ARG 33 2HH1 ARG 33 -11.637 3.158 -2.586 293 HH21 ARG 33 1HH2 ARG 33 -8.872 1.577 -1.123 294 HH22 ARG 33 2HH2 ARG 33 -9.853 1.716 -2.550 295 H GLN 34 H GLN 34 -9.203 1.301 5.443 296 HA GLN 34 HA GLN 34 -11.411 0.756 7.145 297 HB2 GLN 34 2HB GLN 34 -8.660 -0.500 7.133 298 HB3 GLN 34 3HB GLN 34 -10.059 -1.133 7.988 299 HG2 GLN 34 2HG GLN 34 -11.211 -1.362 5.795 300 HG3 GLN 34 3HG GLN 34 -9.703 -0.895 5.012 301 HE21 GLN 34 1HE2 GLN 34 -8.111 -2.320 7.069 302 HE22 GLN 34 2HE2 GLN 34 -8.242 -3.999 6.659 303 H ALA 35 H ALA 35 -8.225 2.119 7.643 304 HA ALA 35 HA ALA 35 -8.540 2.294 10.514 305 HB1 ALA 35 3HB ALA 35 -6.416 3.439 8.702 306 HB2 ALA 35 1HB ALA 35 -6.331 1.898 9.554 307 HB3 ALA 35 2HB ALA 35 -6.360 3.408 10.467 308 H GLU 36 H GLU 36 -9.662 4.004 7.905 309 HA GLU 36 HA GLU 36 -10.903 5.893 7.722 310 HB2 GLU 36 2HB GLU 36 -10.537 6.063 10.718 311 HB3 GLU 36 3HB GLU 36 -11.625 7.076 9.776 312 HG2 GLU 36 2HG GLU 36 -12.920 5.151 9.126 313 HG3 GLU 36 3HG GLU 36 -11.790 4.077 9.948 314 H GLN 37 H GLN 37 -8.050 5.875 7.416 315 HA GLN 37 HA GLN 37 -7.523 8.727 7.928 316 HB2 GLN 37 2HB GLN 37 -5.118 8.186 7.991 317 HB3 GLN 37 3HB GLN 37 -6.009 7.362 9.265 318 HG2 GLN 37 2HG GLN 37 -6.037 5.326 7.817 319 HG3 GLN 37 3HG GLN 37 -4.964 6.175 6.705 320 HE21 GLN 37 1HE2 GLN 37 -3.279 4.737 6.985 321 HE22 GLN 37 2HE2 GLN 37 -2.365 4.636 8.448 322 H ASP 38 H ASP 38 -6.641 9.923 6.226 323 HA ASP 38 HA ASP 38 -6.997 8.671 3.599 324 HB2 ASP 38 2HB ASP 38 -6.980 11.528 4.536 325 HB3 ASP 38 3HB ASP 38 -6.714 11.145 2.840 326 H ILE 39 H ILE 39 -4.627 8.701 5.608 327 HA ILE 39 HA ILE 39 -2.565 9.260 3.573 328 HB ILE 39 HB ILE 39 -2.240 9.442 6.580 329 HG12 ILE 39 2HG1 ILE 39 -2.301 11.670 4.534 330 HG13 ILE 39 3HG1 ILE 39 -3.628 11.272 5.621 331 HG21 ILE 39 1HG2 ILE 39 -0.043 10.399 6.060 332 HG22 ILE 39 2HG2 ILE 39 -0.334 10.130 4.343 333 HG23 ILE 39 3HG2 ILE 39 -0.198 8.756 5.439 334 HD11 ILE 39 3HD1 ILE 39 -0.886 12.182 6.465 335 HD12 ILE 39 1HD1 ILE 39 -2.244 11.827 7.535 336 HD13 ILE 39 2HD1 ILE 39 -2.339 13.182 6.408 337 H VAL 40 H VAL 40 -1.192 7.593 3.127 338 HA VAL 40 HA VAL 40 -1.578 5.148 4.713 339 HB VAL 40 HB VAL 40 -0.854 3.849 2.843 340 HG11 VAL 40 1HG1 VAL 40 -2.791 5.961 1.906 341 HG12 VAL 40 2HG1 VAL 40 -3.191 4.504 2.819 342 HG13 VAL 40 3HG1 VAL 40 -2.567 4.371 1.176 343 HG21 VAL 40 3HG2 VAL 40 -0.230 4.867 0.683 344 HG22 VAL 40 1HG2 VAL 40 0.907 5.248 1.976 345 HG23 VAL 40 2HG2 VAL 40 -0.268 6.455 1.448 346 H THR 41 H THR 41 0.136 4.083 5.568 347 HA THR 41 HA THR 41 2.723 5.466 5.465 348 HB THR 41 HB THR 41 3.210 4.160 7.559 349 HG1 THR 41 HG1 THR 41 1.101 3.428 8.584 350 HG21 THR 41 3HG2 THR 41 1.779 5.530 9.025 351 HG22 THR 41 1HG2 THR 41 0.791 5.966 7.632 352 HG23 THR 41 2HG2 THR 41 2.477 6.475 7.710 353 HA PRO 42 HA PRO 42 4.695 2.023 3.455 354 HB2 PRO 42 2HB PRO 42 6.831 1.506 5.143 355 HB3 PRO 42 3HB PRO 42 6.814 2.760 3.900 356 HG2 PRO 42 2HG PRO 42 6.309 2.998 6.839 357 HG3 PRO 42 3HG PRO 42 7.210 4.084 5.762 358 HD2 PRO 42 2HD PRO 42 4.720 4.664 6.562 359 HD3 PRO 42 3HD PRO 42 5.273 5.050 4.917 360 H GLU 43 H GLU 43 3.942 1.845 6.830 361 HA GLU 43 HA GLU 43 4.214 -0.869 7.376 362 HB2 GLU 43 2HB GLU 43 3.796 0.721 9.122 363 HB3 GLU 43 3HB GLU 43 2.284 1.225 8.382 364 HG2 GLU 43 2HG GLU 43 1.386 -1.046 8.824 365 HG3 GLU 43 3HG GLU 43 2.871 -1.406 9.706 366 H LEU 44 H LEU 44 1.420 0.928 6.125 367 HA LEU 44 HA LEU 44 -0.262 -1.349 5.881 368 HB2 LEU 44 2HB LEU 44 -0.373 1.469 4.885 369 HB3 LEU 44 3HB LEU 44 -1.493 0.284 4.242 370 HG LEU 44 HG LEU 44 -2.370 -0.127 6.497 371 HD11 LEU 44 1HD1 LEU 44 -0.362 0.368 7.798 372 HD12 LEU 44 2HD1 LEU 44 -1.740 1.316 8.362 373 HD13 LEU 44 3HD1 LEU 44 -0.497 2.073 7.362 374 HD21 LEU 44 3HD2 LEU 44 -3.385 1.577 5.067 375 HD22 LEU 44 1HD2 LEU 44 -2.315 2.793 5.765 376 HD23 LEU 44 2HD2 LEU 44 -3.519 1.992 6.777 377 H VAL 45 H VAL 45 1.844 0.389 3.655 378 HA VAL 45 HA VAL 45 1.195 -0.951 1.288 379 HB VAL 45 HB VAL 45 3.941 0.047 2.077 380 HG11 VAL 45 1HG1 VAL 45 3.960 -1.381 0.105 381 HG12 VAL 45 2HG1 VAL 45 4.277 0.294 -0.342 382 HG13 VAL 45 3HG1 VAL 45 2.687 -0.409 -0.628 383 HG21 VAL 45 3HG2 VAL 45 2.253 1.794 2.363 384 HG22 VAL 45 1HG2 VAL 45 1.691 1.525 0.715 385 HG23 VAL 45 2HG2 VAL 45 3.315 2.147 1.001 386 H GLU 46 H GLU 46 3.609 -1.691 3.767 387 HA GLU 46 HA GLU 46 4.713 -3.982 2.622 388 HB2 GLU 46 2HB GLU 46 5.403 -2.643 4.730 389 HB3 GLU 46 3HB GLU 46 4.278 -3.692 5.582 390 HG2 GLU 46 2HG GLU 46 6.364 -4.692 5.858 391 HG3 GLU 46 3HG GLU 46 5.579 -5.633 4.587 392 H GLN 47 H GLN 47 2.083 -3.696 5.007 393 HA GLN 47 HA GLN 47 1.483 -6.396 5.243 394 HB2 GLN 47 2HB GLN 47 -0.119 -3.900 5.656 395 HB3 GLN 47 3HB GLN 47 -0.893 -5.472 5.789 396 HG2 GLN 47 2HG GLN 47 1.490 -4.557 7.378 397 HG3 GLN 47 3HG GLN 47 -0.175 -4.606 7.956 398 HE21 GLN 47 1HE2 GLN 47 -0.765 -7.099 6.562 399 HE22 GLN 47 2HE2 GLN 47 0.032 -8.351 7.454 400 H ALA 48 H ALA 48 0.166 -4.006 2.976 401 HA ALA 48 HA ALA 48 -1.679 -5.704 1.721 402 HB1 ALA 48 3HB ALA 48 -1.633 -4.127 -0.129 403 HB2 ALA 48 1HB ALA 48 -0.157 -3.403 0.509 404 HB3 ALA 48 2HB ALA 48 -1.664 -3.278 1.417 405 H ARG 49 H ARG 49 1.774 -5.174 1.140 406 HA ARG 49 HA ARG 49 1.898 -6.729 -1.235 407 HB2 ARG 49 2HB ARG 49 3.654 -5.114 -0.633 408 HB3 ARG 49 3HB ARG 49 4.099 -6.121 0.740 409 HG2 ARG 49 2HG ARG 49 4.583 -7.970 -0.858 410 HG3 ARG 49 3HG ARG 49 4.310 -6.831 -2.176 411 HD2 ARG 49 2HD ARG 49 6.144 -5.479 -1.479 412 HD3 ARG 49 3HD ARG 49 6.321 -6.401 0.012 413 HE ARG 49 HE ARG 49 6.628 -8.242 -1.991 414 HH11 ARG 49 1HH1 ARG 49 8.246 -5.276 -1.060 415 HH12 ARG 49 2HH1 ARG 49 9.774 -5.748 -1.751 416 HH21 ARG 49 1HH2 ARG 49 8.612 -8.874 -2.886 417 HH22 ARG 49 2HH2 ARG 49 9.986 -7.805 -2.779 418 H LEU 50 H LEU 50 2.295 -7.432 2.188 419 HA LEU 50 HA LEU 50 3.158 -10.109 1.855 420 HB2 LEU 50 2HB LEU 50 2.598 -8.337 4.018 421 HB3 LEU 50 3HB LEU 50 1.766 -9.851 4.312 422 HG LEU 50 HG LEU 50 3.942 -9.904 5.362 423 HD11 LEU 50 1HD1 LEU 50 4.857 -11.923 4.299 424 HD12 LEU 50 2HD1 LEU 50 3.829 -11.635 2.894 425 HD13 LEU 50 3HD1 LEU 50 3.102 -11.996 4.459 426 HD21 LEU 50 3HD2 LEU 50 5.997 -9.744 4.049 427 HD22 LEU 50 1HD2 LEU 50 5.057 -8.256 3.944 428 HD23 LEU 50 2HD2 LEU 50 5.051 -9.400 2.600 429 H GLU 51 H GLU 51 -0.022 -8.620 2.116 430 HA GLU 51 HA GLU 51 -1.575 -10.936 2.372 431 HB2 GLU 51 2HB GLU 51 -2.179 -8.349 0.926 432 HB3 GLU 51 3HB GLU 51 -3.374 -9.594 1.261 433 HG2 GLU 51 2HG GLU 51 -1.794 -8.148 3.373 434 HG3 GLU 51 3HG GLU 51 -3.411 -7.685 2.843 435 H PHE 52 H PHE 52 -0.371 -9.283 -0.525 436 HA PHE 52 HA PHE 52 -1.510 -11.273 -2.275 437 HB2 PHE 52 2HB PHE 52 0.339 -8.942 -2.798 438 HB3 PHE 52 3HB PHE 52 -0.242 -10.022 -4.060 439 HD1 PHE 52 HD1 PHE 52 -2.761 -10.234 -4.362 440 HD2 PHE 52 HD2 PHE 52 -0.934 -7.110 -2.133 441 HE1 PHE 52 HE1 PHE 52 -4.809 -8.886 -4.584 442 HE2 PHE 52 HE2 PHE 52 -2.977 -5.756 -2.346 443 HZ PHE 52 HZ PHE 52 -4.917 -6.644 -3.574 444 H GLY 53 H GLY 53 1.512 -10.712 -0.688 445 HA2 GLY 53 2HA GLY 53 3.141 -12.481 -2.162 446 HA3 GLY 53 3HA GLY 53 3.378 -12.027 -0.475 447 H GLN 54 H GLN 54 0.864 -12.978 0.473 448 HA GLN 54 HA GLN 54 1.448 -15.781 0.697 449 HB2 GLN 54 2HB GLN 54 -0.752 -14.048 1.820 450 HB3 GLN 54 3HB GLN 54 -0.694 -15.786 2.076 451 HG2 GLN 54 2HG GLN 54 1.468 -13.855 2.878 452 HG3 GLN 54 3HG GLN 54 0.226 -14.489 3.953 453 HE21 GLN 54 1HE2 GLN 54 1.660 -15.480 5.313 454 HE22 GLN 54 2HE2 GLN 54 2.564 -16.890 4.870 455 H LEU 55 H LEU 55 -0.802 -13.789 -1.081 456 HA LEU 55 HA LEU 55 -2.623 -15.713 -1.942 457 HB2 LEU 55 2HB LEU 55 -1.909 -13.045 -2.656 458 HB3 LEU 55 3HB LEU 55 -2.039 -13.986 -4.129 459 HG LEU 55 HG LEU 55 -4.324 -14.667 -3.458 460 HD11 LEU 55 1HD1 LEU 55 -5.426 -13.489 -1.621 461 HD12 LEU 55 2HD1 LEU 55 -3.899 -12.710 -1.206 462 HD13 LEU 55 3HD1 LEU 55 -4.068 -14.457 -1.045 463 HD21 LEU 55 3HD2 LEU 55 -4.013 -12.771 -4.949 464 HD22 LEU 55 1HD2 LEU 55 -3.827 -11.695 -3.564 465 HD23 LEU 55 2HD2 LEU 55 -5.375 -12.482 -3.867 466 H GLU 56 H GLU 56 0.657 -15.113 -2.906 467 HA GLU 56 HA GLU 56 0.556 -16.713 -5.275 468 HB2 GLU 56 2HB GLU 56 2.895 -15.619 -3.705 469 HB3 GLU 56 3HB GLU 56 3.035 -16.452 -5.246 470 HG2 GLU 56 2HG GLU 56 1.560 -13.877 -4.761 471 HG3 GLU 56 3HG GLU 56 3.139 -14.045 -5.528 472 H HIS 57 H HIS 57 -0.494 -18.519 -4.003 473 HA HIS 57 HA HIS 57 1.548 -20.309 -2.887 474 HB2 HIS 57 2HB HIS 57 -1.467 -20.553 -3.027 475 HB3 HIS 57 3HB HIS 57 -0.417 -21.858 -2.490 476 HD1 HIS 57 HD1 HIS 57 1.302 -20.902 -0.422 477 HD2 HIS 57 HD2 HIS 57 -2.463 -19.211 -0.927 478 HE1 HIS 57 HE1 HIS 57 0.753 -19.800 1.775 479 HE2 HIS 57 HE2 HIS 57 -1.438 -18.613 1.377 480 H HIS 58 H HIS 58 -1.212 -20.680 -5.099 481 HA HIS 58 HA HIS 58 0.501 -21.762 -7.171 482 HB2 HIS 58 2HB HIS 58 0.079 -23.739 -5.790 483 HB3 HIS 58 3HB HIS 58 -1.651 -23.435 -5.847 484 HD1 HIS 58 HD1 HIS 58 1.197 -24.735 -7.899 485 HD2 HIS 58 HD2 HIS 58 -2.927 -24.284 -8.171 486 HE1 HIS 58 HE1 HIS 58 0.495 -26.078 -9.910 487 HE2 HIS 58 HE2 HIS 58 -2.025 -25.896 -9.974 488 H HIS 59 H HIS 59 -0.192 -20.244 -8.630 489 HA HIS 59 HA HIS 59 -3.082 -19.936 -9.000 490 HB2 HIS 59 2HB HIS 59 -0.720 -18.267 -9.754 491 HB3 HIS 59 3HB HIS 59 -2.207 -18.116 -10.684 492 HD1 HIS 59 HD1 HIS 59 -0.566 -16.872 -7.711 493 HD2 HIS 59 HD2 HIS 59 -4.498 -17.394 -8.969 494 HE1 HIS 59 HE1 HIS 59 -1.962 -15.407 -6.213 495 HE2 HIS 59 HE2 HIS 59 -4.302 -15.574 -7.138 496 H HIS 60 H HIS 60 -4.035 -21.153 -10.418 497 HA HIS 60 HA HIS 60 -2.565 -22.163 -12.741 498 HB2 HIS 60 2HB HIS 60 -3.873 -23.773 -11.367 499 HB3 HIS 60 3HB HIS 60 -5.337 -22.867 -11.731 500 HD1 HIS 60 HD1 HIS 60 -6.457 -23.286 -13.991 501 HD2 HIS 60 HD2 HIS 60 -2.814 -25.253 -13.550 502 HE1 HIS 60 HE1 HIS 60 -6.323 -24.910 -15.904 503 HE2 HIS 60 HE2 HIS 60 -4.200 -26.214 -15.515 504 H HIS 61 H HIS 61 -5.021 -19.939 -11.763 505 HA HIS 61 HA HIS 61 -5.838 -19.495 -14.544 506 HB2 HIS 61 2HB HIS 61 -7.607 -19.833 -12.803 507 HB3 HIS 61 3HB HIS 61 -7.058 -18.354 -12.024 508 HD1 HIS 61 HD1 HIS 61 -7.773 -16.130 -13.060 509 HD2 HIS 61 HD2 HIS 61 -8.963 -19.453 -15.266 510 HE1 HIS 61 HE1 HIS 61 -9.393 -15.265 -14.778 511 HE2 HIS 61 HE2 HIS 61 -10.184 -17.306 -16.029 512 H HIS 62 H HIS 62 -5.374 -17.703 -15.615 513 HA HIS 62 HA HIS 62 -4.423 -15.337 -14.219 514 HB2 HIS 62 2HB HIS 62 -2.487 -15.183 -15.911 515 HB3 HIS 62 3HB HIS 62 -2.298 -16.291 -14.562 516 HD1 HIS 62 HD1 HIS 62 -2.656 -16.209 -18.284 517 HD2 HIS 62 HD2 HIS 62 -2.283 -19.009 -15.235 518 HE1 HIS 62 HE1 HIS 62 -2.141 -18.390 -19.423 519 HE2 HIS 62 HE2 HIS 62 -2.162 -20.103 -17.572 Start of MODEL 12 1 H1 MET 1 1H MET 1 -10.629 10.165 -3.478 2 H2 MET 1 2H MET 1 -10.260 9.180 -2.150 3 H3 MET 1 3H MET 1 -11.605 8.827 -3.117 4 HA MET 1 HA MET 1 -9.711 7.360 -3.536 5 HB2 MET 1 2HB MET 1 -9.808 7.481 -5.955 6 HB3 MET 1 3HB MET 1 -11.400 7.792 -5.285 7 HG2 MET 1 2HG MET 1 -9.491 9.907 -6.258 8 HG3 MET 1 3HG MET 1 -10.831 9.243 -7.189 9 HE1 MET 1 3HE MET 1 -10.420 12.363 -6.708 10 HE2 MET 1 1HE MET 1 -12.073 12.859 -6.346 11 HE3 MET 1 2HE MET 1 -11.764 11.686 -7.626 12 H ASN 2 H ASN 2 -7.602 7.075 -4.124 13 HA ASN 2 HA ASN 2 -5.396 7.518 -4.075 14 HB2 ASN 2 2HB ASN 2 -6.364 9.903 -5.608 15 HB3 ASN 2 3HB ASN 2 -4.664 9.751 -5.172 16 HD21 ASN 2 1HD2 ASN 2 -7.205 8.612 -7.198 17 HD22 ASN 2 2HD2 ASN 2 -6.241 7.540 -8.155 18 H LEU 3 H LEU 3 -4.933 7.567 -2.011 19 HA LEU 3 HA LEU 3 -5.605 9.864 -0.367 20 HB2 LEU 3 2HB LEU 3 -4.213 7.289 0.363 21 HB3 LEU 3 3HB LEU 3 -4.882 8.464 1.480 22 HG LEU 3 HG LEU 3 -6.462 6.756 -0.447 23 HD11 LEU 3 1HD1 LEU 3 -5.563 5.522 1.453 24 HD12 LEU 3 2HD1 LEU 3 -7.313 5.695 1.570 25 HD13 LEU 3 3HD1 LEU 3 -6.258 6.709 2.554 26 HD21 LEU 3 3HD2 LEU 3 -7.397 8.756 1.607 27 HD22 LEU 3 1HD2 LEU 3 -8.432 7.687 0.660 28 HD23 LEU 3 2HD2 LEU 3 -7.494 8.947 -0.144 29 H ARG 4 H ARG 4 -3.747 10.350 1.375 30 HA ARG 4 HA ARG 4 -1.524 11.371 -0.150 31 HB2 ARG 4 2HB ARG 4 -2.261 11.495 2.763 32 HB3 ARG 4 3HB ARG 4 -0.696 12.053 2.193 33 HG2 ARG 4 2HG ARG 4 -1.913 13.581 0.629 34 HG3 ARG 4 3HG ARG 4 -3.406 13.120 1.451 35 HD2 ARG 4 2HD ARG 4 -2.508 13.941 3.564 36 HD3 ARG 4 3HD ARG 4 -0.991 14.359 2.769 37 HE ARG 4 HE ARG 4 -3.412 15.601 1.722 38 HH11 ARG 4 1HH1 ARG 4 -0.560 15.911 3.752 39 HH12 ARG 4 2HH1 ARG 4 -0.614 17.651 3.765 40 HH21 ARG 4 1HH2 ARG 4 -3.474 17.895 1.769 41 HH22 ARG 4 2HH2 ARG 4 -2.244 18.762 2.641 42 H TRP 5 H TRP 5 -0.105 9.952 -0.852 43 HA TRP 5 HA TRP 5 0.734 7.719 0.787 44 HB2 TRP 5 2HB TRP 5 1.511 8.612 -1.991 45 HB3 TRP 5 3HB TRP 5 2.242 7.232 -1.185 46 HD1 TRP 5 HD1 TRP 5 -1.289 8.383 -2.314 47 HE1 TRP 5 HE1 TRP 5 -2.634 6.280 -2.961 48 HE3 TRP 5 HE3 TRP 5 2.171 4.822 -1.096 49 HZ2 TRP 5 HZ2 TRP 5 -2.251 3.489 -2.973 50 HZ3 TRP 5 HZ3 TRP 5 1.603 2.454 -1.460 51 HH2 TRP 5 HH2 TRP 5 -0.565 1.804 -2.377 52 H THR 6 H THR 6 2.389 7.789 2.152 53 HA THR 6 HA THR 6 4.099 10.061 2.350 54 HB THR 6 HB THR 6 5.354 8.660 4.017 55 HG1 THR 6 HG1 THR 6 3.337 6.727 3.954 56 HG21 THR 6 3HG2 THR 6 2.355 8.805 4.326 57 HG22 THR 6 1HG2 THR 6 3.531 10.032 4.805 58 HG23 THR 6 2HG2 THR 6 3.483 8.477 5.643 59 H SER 7 H SER 7 6.431 10.039 2.049 60 HA SER 7 HA SER 7 7.227 9.129 -0.455 61 HB2 SER 7 2HB SER 7 9.043 9.742 1.885 62 HB3 SER 7 3HB SER 7 9.467 9.808 0.175 63 HG SER 7 HG SER 7 8.443 11.731 1.673 64 H GLU 8 H GLU 8 7.628 7.637 2.715 65 HA GLU 8 HA GLU 8 9.264 5.489 1.822 66 HB2 GLU 8 2HB GLU 8 7.489 5.675 4.263 67 HB3 GLU 8 3HB GLU 8 8.736 4.463 3.996 68 HG2 GLU 8 2HG GLU 8 10.422 6.251 3.931 69 HG3 GLU 8 3HG GLU 8 9.158 7.427 4.288 70 H ALA 9 H ALA 9 5.781 5.936 2.192 71 HA ALA 9 HA ALA 9 5.038 3.271 1.606 72 HB1 ALA 9 3HB ALA 9 3.471 5.811 1.163 73 HB2 ALA 9 1HB ALA 9 3.494 4.860 2.646 74 HB3 ALA 9 2HB ALA 9 2.813 4.177 1.171 75 H LYS 10 H LYS 10 5.407 6.163 -0.406 76 HA LYS 10 HA LYS 10 4.730 5.049 -2.874 77 HB2 LYS 10 2HB LYS 10 6.718 7.223 -2.206 78 HB3 LYS 10 3HB LYS 10 6.169 6.856 -3.836 79 HG2 LYS 10 2HG LYS 10 3.951 7.523 -3.334 80 HG3 LYS 10 3HG LYS 10 4.301 7.613 -1.607 81 HD2 LYS 10 2HD LYS 10 4.214 9.837 -2.618 82 HD3 LYS 10 3HD LYS 10 5.825 9.473 -2.000 83 HE2 LYS 10 2HE LYS 10 6.560 8.904 -4.268 84 HE3 LYS 10 3HE LYS 10 4.949 9.273 -4.882 85 HZ1 LYS 10 3HZ LYS 10 6.718 11.219 -3.499 86 HZ2 LYS 10 1HZ LYS 10 5.214 11.552 -4.212 87 HZ3 LYS 10 2HZ LYS 10 6.536 11.110 -5.181 88 H THR 11 H THR 11 7.841 5.124 -1.188 89 HA THR 11 HA THR 11 9.335 3.890 -3.250 90 HB THR 11 HB THR 11 9.923 3.842 -0.283 91 HG1 THR 11 HG1 THR 11 9.691 5.991 -0.919 92 HG21 THR 11 3HG2 THR 11 11.737 3.615 -2.689 93 HG22 THR 11 1HG2 THR 11 11.302 2.300 -1.593 94 HG23 THR 11 2HG2 THR 11 12.262 3.659 -1.006 95 H LYS 12 H LYS 12 7.497 2.642 -0.512 96 HA LYS 12 HA LYS 12 8.280 -0.076 -0.861 97 HB2 LYS 12 2HB LYS 12 6.122 1.329 0.664 98 HB3 LYS 12 3HB LYS 12 6.050 -0.417 0.478 99 HG2 LYS 12 2HG LYS 12 8.427 1.038 1.597 100 HG3 LYS 12 3HG LYS 12 7.117 0.381 2.582 101 HD2 LYS 12 2HD LYS 12 7.567 -1.851 1.603 102 HD3 LYS 12 3HD LYS 12 8.944 -1.163 0.740 103 HE2 LYS 12 2HE LYS 12 10.039 -0.627 2.799 104 HE3 LYS 12 3HE LYS 12 8.613 -1.078 3.731 105 HZ1 LYS 12 3HZ LYS 12 10.295 -2.804 3.796 106 HZ2 LYS 12 1HZ LYS 12 10.275 -2.933 2.104 107 HZ3 LYS 12 2HZ LYS 12 8.904 -3.368 3.006 108 H LEU 13 H LEU 13 5.600 1.893 -2.042 109 HA LEU 13 HA LEU 13 4.132 -0.182 -3.247 110 HB2 LEU 13 2HB LEU 13 3.245 2.092 -2.881 111 HB3 LEU 13 3HB LEU 13 4.348 2.712 -4.095 112 HG LEU 13 HG LEU 13 3.196 1.296 -5.791 113 HD11 LEU 13 1HD1 LEU 13 2.304 -0.414 -4.316 114 HD12 LEU 13 2HD1 LEU 13 1.004 0.354 -5.229 115 HD13 LEU 13 3HD1 LEU 13 1.266 0.779 -3.537 116 HD21 LEU 13 3HD2 LEU 13 1.213 2.707 -5.961 117 HD22 LEU 13 1HD2 LEU 13 2.629 3.655 -5.510 118 HD23 LEU 13 2HD2 LEU 13 1.431 3.224 -4.290 119 H LYS 14 H LYS 14 6.755 1.868 -4.438 120 HA LYS 14 HA LYS 14 6.770 0.744 -7.064 121 HB2 LYS 14 2HB LYS 14 8.863 2.330 -5.569 122 HB3 LYS 14 3HB LYS 14 8.963 1.906 -7.274 123 HG2 LYS 14 2HG LYS 14 7.016 3.222 -7.767 124 HG3 LYS 14 3HG LYS 14 6.757 3.549 -6.052 125 HD2 LYS 14 2HD LYS 14 8.893 4.744 -5.959 126 HD3 LYS 14 3HD LYS 14 9.153 4.412 -7.674 127 HE2 LYS 14 2HE LYS 14 6.825 5.969 -6.554 128 HE3 LYS 14 3HE LYS 14 8.286 6.695 -7.225 129 HZ1 LYS 14 3HZ LYS 14 6.432 4.913 -8.720 130 HZ2 LYS 14 1HZ LYS 14 7.790 5.712 -9.348 131 HZ3 LYS 14 2HZ LYS 14 6.452 6.604 -8.824 132 H ASN 15 H ASN 15 7.870 -0.348 -4.056 133 HA ASN 15 HA ASN 15 10.027 -1.994 -5.001 134 HB2 ASN 15 2HB ASN 15 9.589 -1.110 -2.592 135 HB3 ASN 15 3HB ASN 15 8.483 -2.471 -2.460 136 HD21 ASN 15 1HD2 ASN 15 11.739 -1.442 -2.579 137 HD22 ASN 15 2HD2 ASN 15 12.478 -2.963 -2.231 138 H ILE 16 H ILE 16 6.616 -2.178 -4.725 139 HA ILE 16 HA ILE 16 6.401 -5.043 -4.970 140 HB ILE 16 HB ILE 16 4.295 -2.882 -5.247 141 HG12 ILE 16 2HG1 ILE 16 4.997 -4.640 -2.889 142 HG13 ILE 16 3HG1 ILE 16 5.372 -2.925 -3.033 143 HG21 ILE 16 1HG2 ILE 16 3.981 -5.859 -4.891 144 HG22 ILE 16 2HG2 ILE 16 3.596 -4.932 -6.342 145 HG23 ILE 16 3HG2 ILE 16 2.670 -4.679 -4.862 146 HD11 ILE 16 3HD1 ILE 16 3.025 -2.376 -3.019 147 HD12 ILE 16 1HD1 ILE 16 3.425 -3.361 -1.611 148 HD13 ILE 16 2HD1 ILE 16 2.596 -4.088 -2.990 149 HA PRO 17 HA PRO 17 7.038 -5.348 -9.344 150 HB2 PRO 17 2HB PRO 17 5.147 -7.384 -9.748 151 HB3 PRO 17 3HB PRO 17 6.860 -7.604 -9.387 152 HG2 PRO 17 2HG PRO 17 4.511 -7.703 -7.563 153 HG3 PRO 17 3HG PRO 17 6.011 -8.645 -7.519 154 HD2 PRO 17 2HD PRO 17 5.584 -6.636 -5.806 155 HD3 PRO 17 3HD PRO 17 7.199 -6.938 -6.487 156 H PHE 18 H PHE 18 6.165 -4.395 -11.109 157 HA PHE 18 HA PHE 18 3.966 -2.695 -10.822 158 HB2 PHE 18 2HB PHE 18 4.173 -2.233 -13.199 159 HB3 PHE 18 3HB PHE 18 5.772 -2.343 -12.475 160 HD1 PHE 18 HD2 PHE 18 7.211 -4.276 -12.947 161 HD2 PHE 18 HD1 PHE 18 3.439 -3.789 -14.855 162 HE1 PHE 18 HE2 PHE 18 7.859 -5.936 -14.640 163 HE2 PHE 18 HE1 PHE 18 4.080 -5.448 -16.552 164 HZ PHE 18 HZ PHE 18 6.293 -6.525 -16.447 165 H PHE 19 H PHE 19 4.132 -5.991 -11.774 166 HA PHE 19 HA PHE 19 1.706 -6.247 -13.172 167 HB2 PHE 19 2HB PHE 19 3.462 -7.935 -13.260 168 HB3 PHE 19 3HB PHE 19 3.277 -8.252 -11.539 169 HD1 PHE 19 HD1 PHE 19 1.426 -8.388 -14.759 170 HD2 PHE 19 HD2 PHE 19 1.857 -9.923 -10.815 171 HE1 PHE 19 HE1 PHE 19 -0.216 -10.148 -15.270 172 HE2 PHE 19 HE2 PHE 19 0.218 -11.685 -11.315 173 HZ PHE 19 HZ PHE 19 -0.823 -11.798 -13.545 174 H ALA 20 H ALA 20 2.455 -6.093 -9.772 175 HA ALA 20 HA ALA 20 -0.387 -6.605 -9.154 176 HB1 ALA 20 3HB ALA 20 2.035 -7.345 -7.508 177 HB2 ALA 20 1HB ALA 20 0.973 -8.456 -8.375 178 HB3 ALA 20 2HB ALA 20 0.357 -7.545 -6.996 179 H ARG 21 H ARG 21 1.636 -4.176 -9.470 180 HA ARG 21 HA ARG 21 1.712 -2.991 -6.886 181 HB2 ARG 21 2HB ARG 21 3.386 -2.533 -8.644 182 HB3 ARG 21 3HB ARG 21 2.154 -1.688 -9.572 183 HG2 ARG 21 2HG ARG 21 1.989 0.033 -7.957 184 HG3 ARG 21 3HG ARG 21 2.943 -0.881 -6.789 185 HD2 ARG 21 2HD ARG 21 4.299 0.856 -7.763 186 HD3 ARG 21 3HD ARG 21 4.885 -0.722 -8.286 187 HE ARG 21 HE ARG 21 3.035 0.548 -10.111 188 HH11 ARG 21 1HH1 ARG 21 6.373 0.078 -9.187 189 HH12 ARG 21 2HH1 ARG 21 7.016 0.604 -10.711 190 HH21 ARG 21 1HH2 ARG 21 3.865 1.205 -12.136 191 HH22 ARG 21 2HH2 ARG 21 5.584 1.244 -12.401 192 H SER 22 H SER 22 -0.296 -2.404 -9.760 193 HA SER 22 HA SER 22 -1.766 -0.279 -8.596 194 HB2 SER 22 2HB SER 22 -1.608 -0.804 -11.066 195 HB3 SER 22 3HB SER 22 -2.731 -2.132 -10.782 196 HG SER 22 HG SER 22 -4.316 -0.691 -10.238 197 H GLN 23 H GLN 23 -2.203 -3.760 -8.735 198 HA GLN 23 HA GLN 23 -4.722 -3.931 -7.508 199 HB2 GLN 23 2HB GLN 23 -3.683 -5.823 -8.644 200 HB3 GLN 23 3HB GLN 23 -2.380 -5.850 -7.466 201 HG2 GLN 23 2HG GLN 23 -3.906 -7.628 -6.990 202 HG3 GLN 23 3HG GLN 23 -4.017 -6.423 -5.713 203 HE21 GLN 23 1HE2 GLN 23 -5.634 -7.931 -8.381 204 HE22 GLN 23 2HE2 GLN 23 -7.201 -7.270 -8.072 205 H ALA 24 H ALA 24 -1.433 -3.975 -6.148 206 HA ALA 24 HA ALA 24 -2.180 -4.244 -3.451 207 HB1 ALA 24 3HB ALA 24 0.104 -4.623 -4.213 208 HB2 ALA 24 1HB ALA 24 0.063 -3.425 -2.920 209 HB3 ALA 24 2HB ALA 24 0.274 -2.910 -4.595 210 H LYS 25 H LYS 25 -1.619 -1.381 -5.456 211 HA LYS 25 HA LYS 25 -1.841 0.594 -3.536 212 HB2 LYS 25 2HB LYS 25 -1.200 1.050 -5.852 213 HB3 LYS 25 3HB LYS 25 -2.821 0.644 -6.397 214 HG2 LYS 25 2HG LYS 25 -3.728 2.538 -5.186 215 HG3 LYS 25 3HG LYS 25 -2.124 2.927 -4.566 216 HD2 LYS 25 2HD LYS 25 -1.348 3.279 -6.880 217 HD3 LYS 25 3HD LYS 25 -2.984 2.956 -7.458 218 HE2 LYS 25 2HE LYS 25 -2.249 5.161 -5.536 219 HE3 LYS 25 3HE LYS 25 -2.430 5.377 -7.272 220 HZ1 LYS 25 3HZ LYS 25 -4.543 4.608 -5.326 221 HZ2 LYS 25 1HZ LYS 25 -4.752 4.561 -7.008 222 HZ3 LYS 25 2HZ LYS 25 -4.443 6.032 -6.239 223 H ALA 26 H ALA 26 -4.415 -0.995 -5.384 224 HA ALA 26 HA ALA 26 -6.578 0.460 -4.368 225 HB1 ALA 26 3HB ALA 26 -6.705 -1.026 -6.327 226 HB2 ALA 26 1HB ALA 26 -7.966 -1.375 -5.146 227 HB3 ALA 26 2HB ALA 26 -6.553 -2.423 -5.263 228 H ARG 27 H ARG 27 -4.955 -2.436 -3.180 229 HA ARG 27 HA ARG 27 -6.749 -2.975 -1.052 230 HB2 ARG 27 2HB ARG 27 -3.818 -3.692 -1.164 231 HB3 ARG 27 3HB ARG 27 -5.069 -4.487 -0.221 232 HG2 ARG 27 2HG ARG 27 -4.901 -4.449 -3.223 233 HG3 ARG 27 3HG ARG 27 -4.415 -5.785 -2.181 234 HD2 ARG 27 2HD ARG 27 -6.688 -6.064 -1.415 235 HD3 ARG 27 3HD ARG 27 -7.202 -4.641 -2.324 236 HE ARG 27 HE ARG 27 -6.652 -5.885 -4.366 237 HH11 ARG 27 1HH1 ARG 27 -7.202 -7.678 -1.402 238 HH12 ARG 27 2HH1 ARG 27 -7.511 -9.183 -2.225 239 HH21 ARG 27 1HH2 ARG 27 -7.083 -7.836 -5.437 240 HH22 ARG 27 2HH2 ARG 27 -7.449 -9.269 -4.527 241 H ILE 28 H ILE 28 -3.619 -1.314 -1.189 242 HA ILE 28 HA ILE 28 -3.307 -0.789 1.530 243 HB ILE 28 HB ILE 28 -2.338 0.879 -0.802 244 HG12 ILE 28 2HG1 ILE 28 -0.847 -1.253 0.736 245 HG13 ILE 28 3HG1 ILE 28 -1.720 -1.588 -0.757 246 HG21 ILE 28 1HG2 ILE 28 -0.606 1.660 0.745 247 HG22 ILE 28 2HG2 ILE 28 -1.354 0.733 2.045 248 HG23 ILE 28 3HG2 ILE 28 -2.221 2.084 1.315 249 HD11 ILE 28 3HD1 ILE 28 0.643 -1.279 -1.179 250 HD12 ILE 28 1HD1 ILE 28 0.583 0.322 -0.440 251 HD13 ILE 28 2HD1 ILE 28 -0.295 0.007 -1.938 252 H GLU 29 H GLU 29 -4.792 1.239 -0.996 253 HA GLU 29 HA GLU 29 -5.374 3.375 0.796 254 HB2 GLU 29 2HB GLU 29 -6.521 2.768 -1.936 255 HB3 GLU 29 3HB GLU 29 -6.725 4.283 -1.063 256 HG2 GLU 29 2HG GLU 29 -4.284 4.597 -1.089 257 HG3 GLU 29 3HG GLU 29 -4.126 3.116 -2.030 258 H GLN 30 H GLN 30 -7.031 0.452 -0.113 259 HA GLN 30 HA GLN 30 -9.565 1.109 1.006 260 HB2 GLN 30 2HB GLN 30 -9.253 -0.798 -0.512 261 HB3 GLN 30 3HB GLN 30 -8.229 -1.583 0.682 262 HG2 GLN 30 2HG GLN 30 -10.406 -2.564 0.742 263 HG3 GLN 30 3HG GLN 30 -10.144 -1.660 2.230 264 HE21 GLN 30 1HE2 GLN 30 -11.908 -1.835 -0.752 265 HE22 GLN 30 2HE2 GLN 30 -13.083 -0.626 -0.368 266 H LEU 31 H LEU 31 -6.654 -0.456 2.233 267 HA LEU 31 HA LEU 31 -7.521 -1.063 4.816 268 HB2 LEU 31 2HB LEU 31 -4.746 -0.275 3.918 269 HB3 LEU 31 3HB LEU 31 -5.140 -1.123 5.402 270 HG LEU 31 HG LEU 31 -5.667 -2.228 2.644 271 HD11 LEU 31 1HD1 LEU 31 -3.289 -1.967 2.937 272 HD12 LEU 31 2HD1 LEU 31 -3.719 -3.672 3.074 273 HD13 LEU 31 3HD1 LEU 31 -3.367 -2.732 4.524 274 HD21 LEU 31 3HD2 LEU 31 -5.702 -3.509 5.374 275 HD22 LEU 31 1HD2 LEU 31 -5.927 -4.348 3.840 276 HD23 LEU 31 2HD2 LEU 31 -7.107 -3.150 4.371 277 H ALA 32 H ALA 32 -6.005 1.865 3.524 278 HA ALA 32 HA ALA 32 -5.819 3.217 6.002 279 HB1 ALA 32 3HB ALA 32 -5.955 4.407 3.238 280 HB2 ALA 32 1HB ALA 32 -4.493 3.825 4.034 281 HB3 ALA 32 2HB ALA 32 -5.367 5.203 4.699 282 H ARG 33 H ARG 33 -8.299 3.259 3.445 283 HA ARG 33 HA ARG 33 -9.945 5.162 4.755 284 HB2 ARG 33 2HB ARG 33 -10.550 3.089 2.654 285 HB3 ARG 33 3HB ARG 33 -11.768 4.196 3.274 286 HG2 ARG 33 2HG ARG 33 -10.335 6.091 2.553 287 HG3 ARG 33 3HG ARG 33 -9.241 4.921 1.808 288 HD2 ARG 33 2HD ARG 33 -12.166 5.218 1.136 289 HD3 ARG 33 3HD ARG 33 -10.847 5.933 0.212 290 HE ARG 33 HE ARG 33 -10.080 3.594 -0.176 291 HH11 ARG 33 1HH1 ARG 33 -13.435 4.203 0.658 292 HH12 ARG 33 2HH1 ARG 33 -14.025 2.817 -0.205 293 HH21 ARG 33 1HH2 ARG 33 -10.857 1.781 -1.323 294 HH22 ARG 33 2HH2 ARG 33 -12.569 1.445 -1.352 295 H GLN 34 H GLN 34 -9.512 1.737 5.100 296 HA GLN 34 HA GLN 34 -11.796 1.268 6.740 297 HB2 GLN 34 2HB GLN 34 -10.359 -0.462 5.518 298 HB3 GLN 34 3HB GLN 34 -9.196 -0.263 6.819 299 HG2 GLN 34 2HG GLN 34 -10.934 -0.948 8.428 300 HG3 GLN 34 3HG GLN 34 -12.032 -1.232 7.079 301 HE21 GLN 34 1HE2 GLN 34 -8.601 -1.912 7.029 302 HE22 GLN 34 2HE2 GLN 34 -8.741 -3.639 6.951 303 H ALA 35 H ALA 35 -8.489 2.283 7.272 304 HA ALA 35 HA ALA 35 -8.725 2.319 10.144 305 HB1 ALA 35 3HB ALA 35 -6.572 3.472 8.375 306 HB2 ALA 35 1HB ALA 35 -6.579 1.843 9.050 307 HB3 ALA 35 2HB ALA 35 -6.479 3.240 10.121 308 H GLU 36 H GLU 36 -9.853 4.279 7.719 309 HA GLU 36 HA GLU 36 -11.053 6.214 7.787 310 HB2 GLU 36 2HB GLU 36 -10.429 6.197 10.747 311 HB3 GLU 36 3HB GLU 36 -11.603 7.243 9.959 312 HG2 GLU 36 2HG GLU 36 -12.979 5.373 9.385 313 HG3 GLU 36 3HG GLU 36 -11.752 4.239 9.948 314 H GLN 37 H GLN 37 -8.127 6.081 7.412 315 HA GLN 37 HA GLN 37 -7.491 8.886 8.055 316 HB2 GLN 37 2HB GLN 37 -5.115 8.225 8.140 317 HB3 GLN 37 3HB GLN 37 -6.077 7.396 9.358 318 HG2 GLN 37 2HG GLN 37 -6.187 5.428 7.852 319 HG3 GLN 37 3HG GLN 37 -5.085 6.260 6.756 320 HE21 GLN 37 1HE2 GLN 37 -3.508 4.690 6.977 321 HE22 GLN 37 2HE2 GLN 37 -2.563 4.508 8.416 322 H ASP 38 H ASP 38 -5.976 9.908 6.503 323 HA ASP 38 HA ASP 38 -6.586 8.985 3.768 324 HB2 ASP 38 2HB ASP 38 -7.434 11.223 4.386 325 HB3 ASP 38 3HB ASP 38 -5.793 11.744 4.736 326 H ILE 39 H ILE 39 -4.113 9.306 6.032 327 HA ILE 39 HA ILE 39 -2.003 9.431 4.003 328 HB ILE 39 HB ILE 39 -1.767 9.466 7.019 329 HG12 ILE 39 2HG1 ILE 39 -1.537 11.768 5.071 330 HG13 ILE 39 3HG1 ILE 39 -2.973 11.430 6.036 331 HG21 ILE 39 1HG2 ILE 39 0.242 8.649 5.909 332 HG22 ILE 39 2HG2 ILE 39 0.516 10.248 6.602 333 HG23 ILE 39 3HG2 ILE 39 0.256 10.071 4.866 334 HD11 ILE 39 3HD1 ILE 39 -1.603 13.190 7.021 335 HD12 ILE 39 1HD1 ILE 39 -0.244 12.069 7.131 336 HD13 ILE 39 2HD1 ILE 39 -1.710 11.779 8.073 337 H VAL 40 H VAL 40 -1.091 7.602 3.297 338 HA VAL 40 HA VAL 40 -1.499 5.165 4.868 339 HB VAL 40 HB VAL 40 -0.917 3.879 2.933 340 HG11 VAL 40 1HG1 VAL 40 -2.641 4.592 1.337 341 HG12 VAL 40 2HG1 VAL 40 -2.748 6.143 2.169 342 HG13 VAL 40 3HG1 VAL 40 -3.200 4.660 3.008 343 HG21 VAL 40 3HG2 VAL 40 -0.282 4.890 0.795 344 HG22 VAL 40 1HG2 VAL 40 0.899 5.234 2.058 345 HG23 VAL 40 2HG2 VAL 40 -0.253 6.476 1.563 346 H THR 41 H THR 41 0.115 4.079 5.810 347 HA THR 41 HA THR 41 2.785 5.266 5.674 348 HB THR 41 HB THR 41 3.188 3.901 7.760 349 HG1 THR 41 HG1 THR 41 1.475 2.873 8.713 350 HG21 THR 41 3HG2 THR 41 1.886 5.395 9.215 351 HG22 THR 41 1HG2 THR 41 0.897 5.873 7.835 352 HG23 THR 41 2HG2 THR 41 2.613 6.278 7.872 353 HA PRO 42 HA PRO 42 4.646 1.935 3.505 354 HB2 PRO 42 2HB PRO 42 6.805 1.310 5.141 355 HB3 PRO 42 3HB PRO 42 6.773 2.597 3.932 356 HG2 PRO 42 2HG PRO 42 6.354 2.754 6.882 357 HG3 PRO 42 3HG PRO 42 7.208 3.875 5.804 358 HD2 PRO 42 2HD PRO 42 4.745 4.419 6.716 359 HD3 PRO 42 3HD PRO 42 5.240 4.861 5.071 360 H GLU 43 H GLU 43 4.041 1.408 6.949 361 HA GLU 43 HA GLU 43 4.344 -1.378 6.998 362 HB2 GLU 43 2HB GLU 43 2.578 0.441 8.635 363 HB3 GLU 43 3HB GLU 43 2.658 -1.292 8.908 364 HG2 GLU 43 2HG GLU 43 4.125 -0.428 10.470 365 HG3 GLU 43 3HG GLU 43 5.184 -0.937 9.158 366 H LEU 44 H LEU 44 1.518 0.619 6.227 367 HA LEU 44 HA LEU 44 -0.248 -1.563 5.837 368 HB2 LEU 44 2HB LEU 44 -0.295 1.343 5.222 369 HB3 LEU 44 3HB LEU 44 -1.394 0.317 4.323 370 HG LEU 44 HG LEU 44 -2.425 -0.453 6.393 371 HD11 LEU 44 1HD1 LEU 44 -0.500 -0.361 7.868 372 HD12 LEU 44 2HD1 LEU 44 -1.842 0.570 8.540 373 HD13 LEU 44 3HD1 LEU 44 -0.489 1.401 7.772 374 HD21 LEU 44 3HD2 LEU 44 -3.302 1.547 5.299 375 HD22 LEU 44 1HD2 LEU 44 -2.213 2.552 6.255 376 HD23 LEU 44 2HD2 LEU 44 -3.494 1.637 7.050 377 H VAL 45 H VAL 45 1.906 0.229 3.711 378 HA VAL 45 HA VAL 45 1.113 -0.994 1.289 379 HB VAL 45 HB VAL 45 3.854 0.064 2.010 380 HG11 VAL 45 1HG1 VAL 45 2.536 -0.357 -0.671 381 HG12 VAL 45 2HG1 VAL 45 3.855 -1.315 0.000 382 HG13 VAL 45 3HG1 VAL 45 4.115 0.381 -0.405 383 HG21 VAL 45 3HG2 VAL 45 3.114 2.166 1.006 384 HG22 VAL 45 1HG2 VAL 45 2.116 1.737 2.395 385 HG23 VAL 45 2HG2 VAL 45 1.504 1.489 0.758 386 H GLU 46 H GLU 46 3.640 -1.772 3.640 387 HA GLU 46 HA GLU 46 4.651 -4.064 2.369 388 HB2 GLU 46 2HB GLU 46 5.720 -2.818 4.273 389 HB3 GLU 46 3HB GLU 46 4.527 -3.536 5.344 390 HG2 GLU 46 2HG GLU 46 5.957 -5.200 5.647 391 HG3 GLU 46 3HG GLU 46 5.606 -5.696 3.991 392 H GLN 47 H GLN 47 2.104 -3.615 4.773 393 HA GLN 47 HA GLN 47 1.467 -6.249 5.332 394 HB2 GLN 47 2HB GLN 47 0.574 -4.152 6.438 395 HB3 GLN 47 3HB GLN 47 -0.533 -3.998 5.084 396 HG2 GLN 47 2HG GLN 47 -0.443 -6.471 6.774 397 HG3 GLN 47 3HG GLN 47 -1.395 -5.061 7.232 398 HE21 GLN 47 1HE2 GLN 47 -2.161 -7.813 6.483 399 HE22 GLN 47 2HE2 GLN 47 -3.291 -7.641 5.186 400 H ALA 48 H ALA 48 0.112 -4.144 2.797 401 HA ALA 48 HA ALA 48 -1.575 -6.063 1.647 402 HB1 ALA 48 3HB ALA 48 -1.742 -3.664 1.174 403 HB2 ALA 48 1HB ALA 48 -1.629 -4.613 -0.307 404 HB3 ALA 48 2HB ALA 48 -0.220 -3.735 0.287 405 H ARG 49 H ARG 49 1.843 -5.367 1.181 406 HA ARG 49 HA ARG 49 2.170 -7.004 -1.127 407 HB2 ARG 49 2HB ARG 49 3.763 -5.237 -0.647 408 HB3 ARG 49 3HB ARG 49 4.175 -5.978 0.892 409 HG2 ARG 49 2HG ARG 49 5.878 -6.351 -0.834 410 HG3 ARG 49 3HG ARG 49 5.184 -7.856 -0.233 411 HD2 ARG 49 2HD ARG 49 3.734 -7.973 -2.195 412 HD3 ARG 49 3HD ARG 49 4.408 -6.456 -2.788 413 HE ARG 49 HE ARG 49 6.498 -7.581 -3.143 414 HH11 ARG 49 1HH1 ARG 49 3.846 -9.707 -2.291 415 HH12 ARG 49 2HH1 ARG 49 4.552 -11.103 -3.052 416 HH21 ARG 49 1HH2 ARG 49 7.431 -9.403 -4.135 417 HH22 ARG 49 2HH2 ARG 49 6.590 -10.930 -4.096 418 H LEU 50 H LEU 50 2.451 -7.502 2.343 419 HA LEU 50 HA LEU 50 3.463 -10.143 2.221 420 HB2 LEU 50 2HB LEU 50 2.445 -8.348 4.272 421 HB3 LEU 50 3HB LEU 50 1.976 -10.015 4.556 422 HG LEU 50 HG LEU 50 4.065 -9.465 5.712 423 HD11 LEU 50 1HD1 LEU 50 5.415 -11.329 4.824 424 HD12 LEU 50 2HD1 LEU 50 4.366 -11.379 3.403 425 HD13 LEU 50 3HD1 LEU 50 3.711 -11.747 5.000 426 HD21 LEU 50 3HD2 LEU 50 4.880 -7.748 4.162 427 HD22 LEU 50 1HD2 LEU 50 5.167 -8.988 2.941 428 HD23 LEU 50 2HD2 LEU 50 6.100 -8.994 4.443 429 H GLU 51 H GLU 51 0.202 -8.812 2.153 430 HA GLU 51 HA GLU 51 -1.256 -11.182 2.205 431 HB2 GLU 51 2HB GLU 51 -1.667 -8.597 0.717 432 HB3 GLU 51 3HB GLU 51 -2.803 -9.931 0.565 433 HG2 GLU 51 2HG GLU 51 -2.041 -8.622 3.165 434 HG3 GLU 51 3HG GLU 51 -3.482 -8.238 2.223 435 H PHE 52 H PHE 52 0.346 -9.572 -0.509 436 HA PHE 52 HA PHE 52 -0.358 -11.686 -2.345 437 HB2 PHE 52 2HB PHE 52 1.522 -9.347 -2.671 438 HB3 PHE 52 3HB PHE 52 1.013 -10.424 -3.966 439 HD1 PHE 52 HD1 PHE 52 -1.709 -10.693 -3.969 440 HD2 PHE 52 HD2 PHE 52 0.513 -7.311 -2.651 441 HE1 PHE 52 HE1 PHE 52 -3.660 -9.254 -4.385 442 HE2 PHE 52 HE2 PHE 52 -1.439 -5.868 -3.064 443 HZ PHE 52 HZ PHE 52 -3.525 -6.840 -3.932 444 H GLY 53 H GLY 53 1.897 -11.423 0.050 445 HA2 GLY 53 2HA GLY 53 3.900 -13.067 -1.312 446 HA3 GLY 53 3HA GLY 53 4.051 -12.358 0.292 447 H GLN 54 H GLN 54 1.260 -13.349 0.903 448 HA GLN 54 HA GLN 54 2.131 -16.029 1.714 449 HB2 GLN 54 2HB GLN 54 -0.037 -14.244 2.824 450 HB3 GLN 54 3HB GLN 54 0.337 -15.852 3.427 451 HG2 GLN 54 2HG GLN 54 2.298 -13.570 3.385 452 HG3 GLN 54 3HG GLN 54 1.281 -13.972 4.767 453 HE21 GLN 54 1HE2 GLN 54 3.038 -14.387 6.090 454 HE22 GLN 54 2HE2 GLN 54 4.011 -15.811 5.906 455 H LEU 55 H LEU 55 -0.481 -14.340 0.059 456 HA LEU 55 HA LEU 55 -2.236 -16.604 -0.022 457 HB2 LEU 55 2HB LEU 55 -2.255 -14.073 -1.671 458 HB3 LEU 55 3HB LEU 55 -3.555 -15.244 -1.599 459 HG LEU 55 HG LEU 55 -2.591 -13.705 0.805 460 HD11 LEU 55 1HD1 LEU 55 -3.413 -12.143 -0.872 461 HD12 LEU 55 2HD1 LEU 55 -4.540 -12.265 0.481 462 HD13 LEU 55 3HD1 LEU 55 -4.895 -13.087 -1.038 463 HD21 LEU 55 3HD2 LEU 55 -3.765 -15.778 1.303 464 HD22 LEU 55 1HD2 LEU 55 -5.105 -15.281 0.267 465 HD23 LEU 55 2HD2 LEU 55 -4.748 -14.379 1.740 466 H GLU 56 H GLU 56 -1.390 -14.874 -2.934 467 HA GLU 56 HA GLU 56 -0.667 -17.423 -4.210 468 HB2 GLU 56 2HB GLU 56 -2.524 -15.442 -4.956 469 HB3 GLU 56 3HB GLU 56 -1.166 -15.244 -6.053 470 HG2 GLU 56 2HG GLU 56 -2.552 -17.871 -5.574 471 HG3 GLU 56 3HG GLU 56 -2.980 -16.750 -6.865 472 H HIS 57 H HIS 57 0.845 -16.909 -6.216 473 HA HIS 57 HA HIS 57 2.947 -16.342 -6.902 474 HB2 HIS 57 2HB HIS 57 2.494 -13.846 -5.238 475 HB3 HIS 57 3HB HIS 57 3.788 -14.070 -6.408 476 HD1 HIS 57 HD1 HIS 57 0.311 -12.982 -6.090 477 HD2 HIS 57 HD2 HIS 57 2.841 -14.222 -9.142 478 HE1 HIS 57 HE1 HIS 57 -0.794 -12.243 -8.220 479 HE2 HIS 57 HE2 HIS 57 0.636 -13.223 -10.045 480 H HIS 58 H HIS 58 2.962 -18.178 -5.102 481 HA HIS 58 HA HIS 58 3.900 -17.743 -2.534 482 HB2 HIS 58 2HB HIS 58 4.179 -20.113 -4.374 483 HB3 HIS 58 3HB HIS 58 4.727 -20.143 -2.702 484 HD1 HIS 58 HD1 HIS 58 1.672 -20.352 -4.794 485 HD2 HIS 58 HD2 HIS 58 2.651 -19.971 -0.771 486 HE1 HIS 58 HE1 HIS 58 -0.443 -20.863 -3.526 487 HE2 HIS 58 HE2 HIS 58 0.129 -20.411 -1.110 488 H HIS 59 H HIS 59 5.698 -17.012 -1.761 489 HA HIS 59 HA HIS 59 7.915 -16.342 -3.385 490 HB2 HIS 59 2HB HIS 59 8.956 -15.547 -1.334 491 HB3 HIS 59 3HB HIS 59 7.267 -15.058 -1.370 492 HD1 HIS 59 HD1 HIS 59 9.732 -16.778 0.686 493 HD2 HIS 59 HD2 HIS 59 5.581 -16.693 0.391 494 HE1 HIS 59 HE1 HIS 59 8.875 -17.789 2.828 495 HE2 HIS 59 HE2 HIS 59 6.358 -17.695 2.650 496 H HIS 60 H HIS 60 9.912 -17.259 -3.593 497 HA HIS 60 HA HIS 60 10.411 -19.766 -2.129 498 HB2 HIS 60 2HB HIS 60 10.938 -19.226 -5.059 499 HB3 HIS 60 3HB HIS 60 11.575 -20.614 -4.185 500 HD1 HIS 60 HD1 HIS 60 8.815 -19.645 -6.247 501 HD2 HIS 60 HD2 HIS 60 9.324 -22.226 -3.028 502 HE1 HIS 60 HE1 HIS 60 6.839 -21.203 -6.305 503 HE2 HIS 60 HE2 HIS 60 7.296 -22.892 -4.487 504 H HIS 61 H HIS 61 12.478 -20.048 -1.392 505 HA HIS 61 HA HIS 61 13.974 -17.631 -1.087 506 HB2 HIS 61 2HB HIS 61 14.579 -20.459 -0.206 507 HB3 HIS 61 3HB HIS 61 15.558 -19.060 0.218 508 HD1 HIS 61 HD1 HIS 61 13.920 -20.979 2.194 509 HD2 HIS 61 HD2 HIS 61 12.874 -17.141 0.973 510 HE1 HIS 61 HE1 HIS 61 12.382 -20.090 3.975 511 HE2 HIS 61 HE2 HIS 61 11.713 -17.789 3.194 512 H HIS 62 H HIS 62 15.963 -17.110 -1.852 513 HA HIS 62 HA HIS 62 17.240 -18.951 -3.725 514 HB2 HIS 62 2HB HIS 62 17.839 -16.867 -5.122 515 HB3 HIS 62 3HB HIS 62 16.220 -17.531 -5.278 516 HD1 HIS 62 HD1 HIS 62 17.898 -14.801 -3.198 517 HD2 HIS 62 HD2 HIS 62 14.339 -15.604 -5.193 518 HE1 HIS 62 HE1 HIS 62 16.512 -12.716 -2.977 519 HE2 HIS 62 HE2 HIS 62 14.449 -13.155 -4.351 Start of MODEL 13 1 H1 MET 1 1H MET 1 -10.659 7.089 -5.886 2 H2 MET 1 2H MET 1 -11.607 8.462 -6.181 3 H3 MET 1 3H MET 1 -11.150 8.072 -4.595 4 HA MET 1 HA MET 1 -9.311 8.859 -6.777 5 HB2 MET 1 2HB MET 1 -10.738 10.701 -5.897 6 HB3 MET 1 3HB MET 1 -10.144 10.360 -4.279 7 HG2 MET 1 2HG MET 1 -7.877 10.935 -4.990 8 HG3 MET 1 3HG MET 1 -8.475 11.275 -6.612 9 HE1 MET 1 3HE MET 1 -6.731 13.364 -4.985 10 HE2 MET 1 1HE MET 1 -7.621 14.851 -5.315 11 HE3 MET 1 2HE MET 1 -7.381 13.661 -6.597 12 H ASN 2 H ASN 2 -7.110 9.111 -6.062 13 HA ASN 2 HA ASN 2 -6.232 7.063 -4.303 14 HB2 ASN 2 2HB ASN 2 -4.797 9.345 -5.657 15 HB3 ASN 2 3HB ASN 2 -3.969 8.209 -4.598 16 HD21 ASN 2 1HD2 ASN 2 -5.415 5.886 -5.348 17 HD22 ASN 2 2HD2 ASN 2 -4.959 5.492 -6.977 18 H LEU 3 H LEU 3 -4.937 7.332 -2.412 19 HA LEU 3 HA LEU 3 -5.872 9.553 -0.739 20 HB2 LEU 3 2HB LEU 3 -4.530 6.946 -0.007 21 HB3 LEU 3 3HB LEU 3 -4.995 8.182 1.145 22 HG LEU 3 HG LEU 3 -6.845 6.535 -0.577 23 HD11 LEU 3 1HD1 LEU 3 -5.941 5.345 1.337 24 HD12 LEU 3 2HD1 LEU 3 -7.654 5.693 1.569 25 HD13 LEU 3 3HD1 LEU 3 -6.440 6.658 2.406 26 HD21 LEU 3 3HD2 LEU 3 -7.501 8.756 1.357 27 HD22 LEU 3 1HD2 LEU 3 -8.672 7.690 0.582 28 HD23 LEU 3 2HD2 LEU 3 -7.709 8.800 -0.394 29 H ARG 4 H ARG 4 -4.012 9.953 1.075 30 HA ARG 4 HA ARG 4 -1.872 11.104 -0.513 31 HB2 ARG 4 2HB ARG 4 -2.633 11.450 2.392 32 HB3 ARG 4 3HB ARG 4 -1.288 12.277 1.610 33 HG2 ARG 4 2HG ARG 4 -2.856 13.293 0.020 34 HG3 ARG 4 3HG ARG 4 -4.190 12.493 0.846 35 HD2 ARG 4 2HD ARG 4 -3.797 13.751 2.838 36 HD3 ARG 4 3HD ARG 4 -2.301 14.419 2.180 37 HE ARG 4 HE ARG 4 -4.833 14.964 0.800 38 HH11 ARG 4 1HH1 ARG 4 -2.239 16.095 2.840 39 HH12 ARG 4 2HH1 ARG 4 -2.435 17.765 2.408 40 HH21 ARG 4 1HH2 ARG 4 -5.154 17.174 0.254 41 HH22 ARG 4 2HH2 ARG 4 -4.124 18.389 0.965 42 H TRP 5 H TRP 5 0.014 10.216 -0.747 43 HA TRP 5 HA TRP 5 0.712 7.923 0.940 44 HB2 TRP 5 2HB TRP 5 1.542 8.701 -1.855 45 HB3 TRP 5 3HB TRP 5 2.318 7.400 -0.959 46 HD1 TRP 5 HD1 TRP 5 -1.300 8.323 -2.050 47 HE1 TRP 5 HE1 TRP 5 -2.523 6.138 -2.672 48 HE3 TRP 5 HE3 TRP 5 2.432 5.006 -0.977 49 HZ2 TRP 5 HZ2 TRP 5 -1.943 3.371 -2.710 50 HZ3 TRP 5 HZ3 TRP 5 2.024 2.610 -1.341 51 HH2 TRP 5 HH2 TRP 5 -0.121 1.813 -2.187 52 H THR 6 H THR 6 2.386 7.997 2.261 53 HA THR 6 HA THR 6 3.996 10.326 2.548 54 HB THR 6 HB THR 6 5.325 8.886 4.130 55 HG1 THR 6 HG1 THR 6 3.400 6.894 4.095 56 HG21 THR 6 3HG2 THR 6 3.432 10.189 4.946 57 HG22 THR 6 1HG2 THR 6 3.516 8.639 5.784 58 HG23 THR 6 2HG2 THR 6 2.324 8.889 4.506 59 H SER 7 H SER 7 6.355 10.395 2.262 60 HA SER 7 HA SER 7 7.175 9.554 -0.280 61 HB2 SER 7 2HB SER 7 8.185 11.442 0.999 62 HB3 SER 7 3HB SER 7 8.956 10.268 2.065 63 HG SER 7 HG SER 7 10.504 10.304 0.654 64 H GLU 8 H GLU 8 7.415 8.054 2.856 65 HA GLU 8 HA GLU 8 9.200 5.959 2.138 66 HB2 GLU 8 2HB GLU 8 7.126 6.065 4.344 67 HB3 GLU 8 3HB GLU 8 8.394 4.859 4.202 68 HG2 GLU 8 2HG GLU 8 9.050 6.449 5.847 69 HG3 GLU 8 3HG GLU 8 10.072 6.670 4.430 70 H ALA 9 H ALA 9 5.674 6.245 2.319 71 HA ALA 9 HA ALA 9 5.056 3.598 1.607 72 HB1 ALA 9 3HB ALA 9 2.824 4.459 1.071 73 HB2 ALA 9 1HB ALA 9 3.441 6.107 1.181 74 HB3 ALA 9 2HB ALA 9 3.414 5.076 2.614 75 H LYS 10 H LYS 10 5.534 6.512 -0.351 76 HA LYS 10 HA LYS 10 4.837 5.511 -2.852 77 HB2 LYS 10 2HB LYS 10 7.066 7.445 -2.172 78 HB3 LYS 10 3HB LYS 10 6.401 7.196 -3.779 79 HG2 LYS 10 2HG LYS 10 4.291 8.119 -3.123 80 HG3 LYS 10 3HG LYS 10 4.798 8.189 -1.430 81 HD2 LYS 10 2HD LYS 10 6.595 9.762 -2.078 82 HD3 LYS 10 3HD LYS 10 5.989 9.738 -3.732 83 HE2 LYS 10 2HE LYS 10 4.332 10.574 -1.363 84 HE3 LYS 10 3HE LYS 10 5.268 11.700 -2.341 85 HZ1 LYS 10 3HZ LYS 10 2.931 10.075 -3.165 86 HZ2 LYS 10 1HZ LYS 10 3.967 10.807 -4.294 87 HZ3 LYS 10 2HZ LYS 10 3.108 11.757 -3.188 88 H THR 11 H THR 11 8.033 5.510 -1.277 89 HA THR 11 HA THR 11 9.370 4.078 -3.296 90 HB THR 11 HB THR 11 10.079 4.144 -0.354 91 HG1 THR 11 HG1 THR 11 10.942 6.104 -0.704 92 HG21 THR 11 3HG2 THR 11 11.338 2.518 -1.717 93 HG22 THR 11 1HG2 THR 11 12.361 3.840 -1.146 94 HG23 THR 11 2HG2 THR 11 11.798 3.818 -2.816 95 H LYS 12 H LYS 12 7.692 3.022 -0.360 96 HA LYS 12 HA LYS 12 8.356 0.290 -0.491 97 HB2 LYS 12 2HB LYS 12 6.072 1.797 0.738 98 HB3 LYS 12 3HB LYS 12 6.107 0.043 0.774 99 HG2 LYS 12 2HG LYS 12 8.293 1.801 1.857 100 HG3 LYS 12 3HG LYS 12 6.979 1.127 2.826 101 HD2 LYS 12 2HD LYS 12 7.706 -1.144 2.039 102 HD3 LYS 12 3HD LYS 12 9.119 -0.370 1.323 103 HE2 LYS 12 2HE LYS 12 9.830 0.419 3.498 104 HE3 LYS 12 3HE LYS 12 8.372 -0.240 4.242 105 HZ1 LYS 12 3HZ LYS 12 10.173 -1.737 4.614 106 HZ2 LYS 12 1HZ LYS 12 10.567 -1.776 2.963 107 HZ3 LYS 12 2HZ LYS 12 9.113 -2.461 3.507 108 H LEU 13 H LEU 13 5.721 2.130 -1.953 109 HA LEU 13 HA LEU 13 4.266 -0.033 -2.989 110 HB2 LEU 13 2HB LEU 13 3.410 2.266 -2.851 111 HB3 LEU 13 3HB LEU 13 4.555 2.767 -4.080 112 HG LEU 13 HG LEU 13 3.418 1.306 -5.716 113 HD11 LEU 13 1HD1 LEU 13 1.267 0.303 -5.161 114 HD12 LEU 13 2HD1 LEU 13 1.448 0.826 -3.487 115 HD13 LEU 13 3HD1 LEU 13 2.556 -0.369 -4.161 116 HD21 LEU 13 3HD2 LEU 13 1.619 3.255 -4.280 117 HD22 LEU 13 1HD2 LEU 13 1.360 2.634 -5.912 118 HD23 LEU 13 2HD2 LEU 13 2.769 3.637 -5.564 119 H LYS 14 H LYS 14 7.030 1.749 -4.228 120 HA LYS 14 HA LYS 14 7.034 0.603 -6.826 121 HB2 LYS 14 2HB LYS 14 9.344 1.773 -5.272 122 HB3 LYS 14 3HB LYS 14 9.291 1.508 -7.010 123 HG2 LYS 14 2HG LYS 14 7.579 3.162 -7.269 124 HG3 LYS 14 3HG LYS 14 7.428 3.340 -5.518 125 HD2 LYS 14 2HD LYS 14 9.796 4.090 -5.454 126 HD3 LYS 14 3HD LYS 14 9.818 4.046 -7.217 127 HE2 LYS 14 2HE LYS 14 8.011 5.692 -7.279 128 HE3 LYS 14 3HE LYS 14 7.987 5.735 -5.518 129 HZ1 LYS 14 3HZ LYS 14 9.238 7.584 -6.385 130 HZ2 LYS 14 1HZ LYS 14 10.258 6.542 -7.254 131 HZ3 LYS 14 2HZ LYS 14 10.280 6.534 -5.557 132 H ASN 15 H ASN 15 7.926 -0.641 -3.776 133 HA ASN 15 HA ASN 15 9.864 -2.547 -4.709 134 HB2 ASN 15 2HB ASN 15 8.265 -2.426 -2.143 135 HB3 ASN 15 3HB ASN 15 9.524 -3.613 -2.470 136 HD21 ASN 15 1HD2 ASN 15 9.348 -1.637 -0.378 137 HD22 ASN 15 2HD2 ASN 15 10.761 -0.645 -0.524 138 H ILE 16 H ILE 16 6.437 -2.378 -4.433 139 HA ILE 16 HA ILE 16 5.905 -5.178 -4.612 140 HB ILE 16 HB ILE 16 4.089 -2.862 -5.319 141 HG12 ILE 16 2HG1 ILE 16 4.394 -4.312 -2.681 142 HG13 ILE 16 3HG1 ILE 16 5.025 -2.704 -3.021 143 HG21 ILE 16 1HG2 ILE 16 2.278 -4.449 -4.811 144 HG22 ILE 16 2HG2 ILE 16 3.479 -5.720 -4.581 145 HG23 ILE 16 3HG2 ILE 16 3.276 -4.979 -6.166 146 HD11 ILE 16 3HD1 ILE 16 2.124 -3.503 -3.007 147 HD12 ILE 16 1HD1 ILE 16 2.746 -1.892 -3.358 148 HD13 ILE 16 2HD1 ILE 16 2.963 -2.593 -1.754 149 HA PRO 17 HA PRO 17 6.971 -5.764 -8.880 150 HB2 PRO 17 2HB PRO 17 5.175 -7.841 -9.341 151 HB3 PRO 17 3HB PRO 17 6.815 -8.021 -8.716 152 HG2 PRO 17 2HG PRO 17 4.224 -7.942 -7.244 153 HG3 PRO 17 3HG PRO 17 5.662 -8.930 -6.935 154 HD2 PRO 17 2HD PRO 17 5.113 -6.791 -5.432 155 HD3 PRO 17 3HD PRO 17 6.784 -7.190 -5.882 156 H PHE 18 H PHE 18 6.266 -4.969 -10.786 157 HA PHE 18 HA PHE 18 4.055 -3.280 -10.883 158 HB2 PHE 18 2HB PHE 18 4.478 -3.034 -13.237 159 HB3 PHE 18 3HB PHE 18 6.024 -3.172 -12.411 160 HD1 PHE 18 HD2 PHE 18 7.254 -5.368 -12.500 161 HD2 PHE 18 HD1 PHE 18 3.864 -4.530 -14.932 162 HE1 PHE 18 HE2 PHE 18 7.887 -7.202 -14.012 163 HE2 PHE 18 HE1 PHE 18 4.490 -6.365 -16.445 164 HZ PHE 18 HZ PHE 18 6.505 -7.701 -15.985 165 H PHE 19 H PHE 19 4.259 -6.667 -11.460 166 HA PHE 19 HA PHE 19 1.929 -7.070 -12.977 167 HB2 PHE 19 2HB PHE 19 3.575 -8.811 -12.774 168 HB3 PHE 19 3HB PHE 19 3.413 -8.833 -11.022 169 HD1 PHE 19 HD2 PHE 19 1.372 -9.355 -14.096 170 HD2 PHE 19 HD1 PHE 19 2.111 -10.458 -10.056 171 HE1 PHE 19 HE2 PHE 19 -0.310 -11.137 -14.275 172 HE2 PHE 19 HE1 PHE 19 0.429 -12.242 -10.230 173 HZ PHE 19 HZ PHE 19 -0.783 -12.581 -12.343 174 H ALA 20 H ALA 20 2.397 -6.358 -9.610 175 HA ALA 20 HA ALA 20 -0.488 -6.722 -9.143 176 HB1 ALA 20 3HB ALA 20 1.720 -7.547 -7.255 177 HB2 ALA 20 1HB ALA 20 0.693 -8.635 -8.193 178 HB3 ALA 20 2HB ALA 20 -0.014 -7.632 -6.926 179 H ARG 21 H ARG 21 1.594 -4.423 -9.515 180 HA ARG 21 HA ARG 21 1.823 -3.171 -6.976 181 HB2 ARG 21 2HB ARG 21 3.463 -2.822 -8.765 182 HB3 ARG 21 3HB ARG 21 2.241 -2.002 -9.727 183 HG2 ARG 21 2HG ARG 21 2.391 -0.093 -8.542 184 HG3 ARG 21 3HG ARG 21 2.691 -0.933 -7.021 185 HD2 ARG 21 2HD ARG 21 4.650 0.329 -7.682 186 HD3 ARG 21 3HD ARG 21 4.984 -1.399 -7.729 187 HE ARG 21 HE ARG 21 4.318 0.077 -10.190 188 HH11 ARG 21 1HH1 ARG 21 6.441 -2.017 -8.356 189 HH12 ARG 21 2HH1 ARG 21 7.600 -2.182 -9.641 190 HH21 ARG 21 1HH2 ARG 21 5.819 -0.182 -11.896 191 HH22 ARG 21 2HH2 ARG 21 7.224 -1.181 -11.669 192 H SER 22 H SER 22 -0.202 -2.431 -9.821 193 HA SER 22 HA SER 22 -1.544 -0.276 -8.547 194 HB2 SER 22 2HB SER 22 -2.515 -1.961 -10.866 195 HB3 SER 22 3HB SER 22 -3.054 -0.335 -10.442 196 HG SER 22 HG SER 22 -1.558 0.044 -11.949 197 H GLN 23 H GLN 23 -2.063 -3.723 -8.699 198 HA GLN 23 HA GLN 23 -4.692 -3.755 -7.624 199 HB2 GLN 23 2HB GLN 23 -3.714 -5.671 -8.828 200 HB3 GLN 23 3HB GLN 23 -2.536 -5.882 -7.537 201 HG2 GLN 23 2HG GLN 23 -4.277 -7.497 -7.273 202 HG3 GLN 23 3HG GLN 23 -4.392 -6.319 -5.969 203 HE21 GLN 23 1HE2 GLN 23 -5.456 -5.818 -9.280 204 HE22 GLN 23 2HE2 GLN 23 -7.145 -5.703 -8.906 205 H ALA 24 H ALA 24 -1.463 -4.097 -6.205 206 HA ALA 24 HA ALA 24 -2.312 -4.418 -3.539 207 HB1 ALA 24 3HB ALA 24 -0.058 -5.009 -4.297 208 HB2 ALA 24 1HB ALA 24 -0.020 -3.911 -2.919 209 HB3 ALA 24 2HB ALA 24 0.300 -3.300 -4.542 210 H LYS 25 H LYS 25 -1.386 -1.553 -5.416 211 HA LYS 25 HA LYS 25 -1.511 0.372 -3.428 212 HB2 LYS 25 2HB LYS 25 -0.747 0.801 -5.745 213 HB3 LYS 25 3HB LYS 25 -2.411 0.678 -6.305 214 HG2 LYS 25 2HG LYS 25 -3.028 2.617 -5.011 215 HG3 LYS 25 3HG LYS 25 -1.410 2.701 -4.318 216 HD2 LYS 25 2HD LYS 25 -0.509 3.065 -6.603 217 HD3 LYS 25 3HD LYS 25 -2.167 3.114 -7.208 218 HE2 LYS 25 2HE LYS 25 -2.647 5.024 -5.767 219 HE3 LYS 25 3HE LYS 25 -1.008 4.959 -5.119 220 HZ1 LYS 25 3HZ LYS 25 -1.157 6.654 -6.796 221 HZ2 LYS 25 1HZ LYS 25 -1.773 5.552 -7.928 222 HZ3 LYS 25 2HZ LYS 25 -0.178 5.398 -7.378 223 H ALA 26 H ALA 26 -4.130 -0.956 -5.404 224 HA ALA 26 HA ALA 26 -6.214 0.626 -4.424 225 HB1 ALA 26 3HB ALA 26 -6.405 -0.825 -6.394 226 HB2 ALA 26 1HB ALA 26 -7.709 -1.102 -5.240 227 HB3 ALA 26 2HB ALA 26 -6.366 -2.242 -5.345 228 H ARG 27 H ARG 27 -4.899 -2.444 -3.211 229 HA ARG 27 HA ARG 27 -6.806 -2.687 -1.112 230 HB2 ARG 27 2HB ARG 27 -5.604 -4.643 -1.917 231 HB3 ARG 27 3HB ARG 27 -4.074 -3.945 -1.402 232 HG2 ARG 27 2HG ARG 27 -4.721 -4.098 0.903 233 HG3 ARG 27 3HG ARG 27 -6.342 -4.628 0.456 234 HD2 ARG 27 2HD ARG 27 -3.813 -6.136 -0.175 235 HD3 ARG 27 3HD ARG 27 -4.852 -6.465 1.209 236 HE ARG 27 HE ARG 27 -6.137 -6.538 -1.396 237 HH11 ARG 27 1HH1 ARG 27 -4.694 -8.329 1.235 238 HH12 ARG 27 2HH1 ARG 27 -5.357 -9.858 0.741 239 HH21 ARG 27 1HH2 ARG 27 -7.052 -8.538 -2.042 240 HH22 ARG 27 2HH2 ARG 27 -6.708 -9.967 -1.111 241 H ILE 28 H ILE 28 -3.585 -1.249 -1.330 242 HA ILE 28 HA ILE 28 -3.148 -0.811 1.405 243 HB ILE 28 HB ILE 28 -2.208 0.871 -0.926 244 HG12 ILE 28 2HG1 ILE 28 -0.743 -1.294 0.586 245 HG13 ILE 28 3HG1 ILE 28 -1.604 -1.579 -0.923 246 HG21 ILE 28 1HG2 ILE 28 -0.445 1.636 0.600 247 HG22 ILE 28 2HG2 ILE 28 -1.191 0.722 1.913 248 HG23 ILE 28 3HG2 ILE 28 -2.048 2.083 1.185 249 HD11 ILE 28 3HD1 ILE 28 -0.138 -0.054 -2.082 250 HD12 ILE 28 1HD1 ILE 28 0.801 -1.292 -1.251 251 HD13 ILE 28 2HD1 ILE 28 0.691 0.333 -0.575 252 H GLU 29 H GLU 29 -4.592 1.347 -1.036 253 HA GLU 29 HA GLU 29 -5.209 3.396 0.823 254 HB2 GLU 29 2HB GLU 29 -6.503 2.851 -1.857 255 HB3 GLU 29 3HB GLU 29 -6.566 4.363 -0.957 256 HG2 GLU 29 2HG GLU 29 -4.063 4.449 -1.129 257 HG3 GLU 29 3HG GLU 29 -4.165 3.092 -2.246 258 H GLN 30 H GLN 30 -6.860 0.513 -0.239 259 HA GLN 30 HA GLN 30 -9.387 1.005 0.923 260 HB2 GLN 30 2HB GLN 30 -8.980 -0.809 -0.676 261 HB3 GLN 30 3HB GLN 30 -7.922 -1.606 0.477 262 HG2 GLN 30 2HG GLN 30 -9.856 -1.866 2.004 263 HG3 GLN 30 3HG GLN 30 -10.887 -1.172 0.751 264 HE21 GLN 30 1HE2 GLN 30 -11.251 -2.340 -1.141 265 HE22 GLN 30 2HE2 GLN 30 -10.977 -4.045 -1.240 266 H LEU 31 H LEU 31 -6.466 -0.577 2.153 267 HA LEU 31 HA LEU 31 -7.413 -1.230 4.710 268 HB2 LEU 31 2HB LEU 31 -4.611 -0.559 3.799 269 HB3 LEU 31 3HB LEU 31 -5.009 -1.289 5.344 270 HG LEU 31 HG LEU 31 -5.663 -2.575 2.696 271 HD11 LEU 31 1HD1 LEU 31 -3.248 -2.305 2.882 272 HD12 LEU 31 2HD1 LEU 31 -3.716 -3.997 3.051 273 HD13 LEU 31 3HD1 LEU 31 -3.279 -3.058 4.478 274 HD21 LEU 31 3HD2 LEU 31 -7.002 -3.337 4.585 275 HD22 LEU 31 1HD2 LEU 31 -5.533 -3.663 5.504 276 HD23 LEU 31 2HD2 LEU 31 -5.886 -4.596 4.050 277 H ALA 32 H ALA 32 -5.957 1.714 3.427 278 HA ALA 32 HA ALA 32 -5.725 3.057 5.911 279 HB1 ALA 32 3HB ALA 32 -4.485 3.723 3.900 280 HB2 ALA 32 1HB ALA 32 -5.384 5.066 4.607 281 HB3 ALA 32 2HB ALA 32 -5.995 4.260 3.161 282 H ARG 33 H ARG 33 -8.350 2.713 3.608 283 HA ARG 33 HA ARG 33 -10.069 4.663 4.732 284 HB2 ARG 33 2HB ARG 33 -10.719 2.128 3.212 285 HB3 ARG 33 3HB ARG 33 -11.891 3.371 3.620 286 HG2 ARG 33 2HG ARG 33 -9.470 3.762 1.873 287 HG3 ARG 33 3HG ARG 33 -11.126 3.543 1.309 288 HD2 ARG 33 2HD ARG 33 -10.042 5.832 2.944 289 HD3 ARG 33 3HD ARG 33 -10.611 5.888 1.278 290 HE ARG 33 HE ARG 33 -12.512 5.087 3.356 291 HH11 ARG 33 1HH1 ARG 33 -11.415 7.510 1.073 292 HH12 ARG 33 2HH1 ARG 33 -12.849 8.480 1.230 293 HH21 ARG 33 1HH2 ARG 33 -14.379 6.338 3.545 294 HH22 ARG 33 2HH2 ARG 33 -14.543 7.803 2.627 295 H GLN 34 H GLN 34 -9.505 1.251 5.405 296 HA GLN 34 HA GLN 34 -11.537 1.030 7.399 297 HB2 GLN 34 2HB GLN 34 -9.084 -0.678 6.928 298 HB3 GLN 34 3HB GLN 34 -10.428 -1.096 7.981 299 HG2 GLN 34 2HG GLN 34 -11.933 -1.094 6.057 300 HG3 GLN 34 3HG GLN 34 -10.577 -0.699 5.003 301 HE21 GLN 34 1HE2 GLN 34 -8.741 -2.420 6.520 302 HE22 GLN 34 2HE2 GLN 34 -9.138 -4.047 6.074 303 H ALA 35 H ALA 35 -8.144 1.877 7.371 304 HA ALA 35 HA ALA 35 -7.851 2.021 10.214 305 HB1 ALA 35 3HB ALA 35 -6.207 3.302 8.025 306 HB2 ALA 35 1HB ALA 35 -5.915 1.718 8.747 307 HB3 ALA 35 2HB ALA 35 -5.743 3.181 9.721 308 H GLU 36 H GLU 36 -9.369 3.924 7.886 309 HA GLU 36 HA GLU 36 -10.471 5.885 7.917 310 HB2 GLU 36 2HB GLU 36 -10.174 5.622 10.914 311 HB3 GLU 36 3HB GLU 36 -11.242 6.758 10.097 312 HG2 GLU 36 2HG GLU 36 -12.438 4.870 9.075 313 HG3 GLU 36 3HG GLU 36 -11.392 3.755 9.952 314 H GLN 37 H GLN 37 -8.130 6.267 7.084 315 HA GLN 37 HA GLN 37 -7.379 8.874 8.115 316 HB2 GLN 37 2HB GLN 37 -4.925 8.209 7.974 317 HB3 GLN 37 3HB GLN 37 -5.819 7.578 9.350 318 HG2 GLN 37 2HG GLN 37 -6.140 5.465 8.013 319 HG3 GLN 37 3HG GLN 37 -4.981 6.118 6.863 320 HE21 GLN 37 1HE2 GLN 37 -2.839 6.181 7.389 321 HE22 GLN 37 2HE2 GLN 37 -2.189 5.400 8.788 322 H ASP 38 H ASP 38 -6.024 10.054 6.557 323 HA ASP 38 HA ASP 38 -6.744 9.229 3.828 324 HB2 ASP 38 2HB ASP 38 -5.939 11.905 4.977 325 HB3 ASP 38 3HB ASP 38 -6.101 11.612 3.251 326 H ILE 39 H ILE 39 -4.158 9.314 5.938 327 HA ILE 39 HA ILE 39 -2.180 9.496 3.763 328 HB ILE 39 HB ILE 39 -1.736 9.802 6.740 329 HG12 ILE 39 2HG1 ILE 39 -1.780 11.944 4.601 330 HG13 ILE 39 3HG1 ILE 39 -3.115 11.620 5.703 331 HG21 ILE 39 1HG2 ILE 39 0.233 8.994 5.560 332 HG22 ILE 39 2HG2 ILE 39 0.468 10.664 6.080 333 HG23 ILE 39 3HG2 ILE 39 0.092 10.310 4.394 334 HD11 ILE 39 3HD1 ILE 39 -1.779 13.525 6.417 335 HD12 ILE 39 1HD1 ILE 39 -0.353 12.493 6.512 336 HD13 ILE 39 2HD1 ILE 39 -1.719 12.214 7.593 337 H VAL 40 H VAL 40 -1.186 7.662 3.177 338 HA VAL 40 HA VAL 40 -1.568 5.302 4.854 339 HB VAL 40 HB VAL 40 -0.843 3.975 2.967 340 HG11 VAL 40 1HG1 VAL 40 -2.583 4.569 1.333 341 HG12 VAL 40 2HG1 VAL 40 -2.794 6.119 2.147 342 HG13 VAL 40 3HG1 VAL 40 -3.168 4.619 2.994 343 HG21 VAL 40 3HG2 VAL 40 -0.256 4.988 0.815 344 HG22 VAL 40 1HG2 VAL 40 0.897 5.414 2.082 345 HG23 VAL 40 2HG2 VAL 40 -0.317 6.585 1.563 346 H THR 41 H THR 41 0.020 4.236 5.855 347 HA THR 41 HA THR 41 2.685 5.427 5.822 348 HB THR 41 HB THR 41 2.945 3.757 7.821 349 HG1 THR 41 HG1 THR 41 0.975 3.192 8.776 350 HG21 THR 41 3HG2 THR 41 1.959 5.408 9.352 351 HG22 THR 41 1HG2 THR 41 1.122 6.161 7.993 352 HG23 THR 41 2HG2 THR 41 2.887 6.188 8.069 353 HA PRO 42 HA PRO 42 4.646 2.205 3.537 354 HB2 PRO 42 2HB PRO 42 6.756 1.573 5.236 355 HB3 PRO 42 3HB PRO 42 6.756 2.869 4.036 356 HG2 PRO 42 2HG PRO 42 6.246 3.002 6.973 357 HG3 PRO 42 3HG PRO 42 7.111 4.146 5.929 358 HD2 PRO 42 2HD PRO 42 4.622 4.647 6.780 359 HD3 PRO 42 3HD PRO 42 5.144 5.104 5.144 360 H GLU 43 H GLU 43 4.076 1.603 6.974 361 HA GLU 43 HA GLU 43 4.408 -1.177 6.973 362 HB2 GLU 43 2HB GLU 43 2.512 0.466 8.661 363 HB3 GLU 43 3HB GLU 43 3.024 -1.178 9.005 364 HG2 GLU 43 2HG GLU 43 4.488 -0.113 10.344 365 HG3 GLU 43 3HG GLU 43 5.422 -0.031 8.852 366 H LEU 44 H LEU 44 1.564 0.794 6.228 367 HA LEU 44 HA LEU 44 -0.202 -1.418 5.878 368 HB2 LEU 44 2HB LEU 44 -0.299 1.492 5.260 369 HB3 LEU 44 3HB LEU 44 -1.422 0.445 4.420 370 HG LEU 44 HG LEU 44 -2.309 -0.338 6.581 371 HD11 LEU 44 1HD1 LEU 44 -1.707 0.820 8.644 372 HD12 LEU 44 2HD1 LEU 44 -0.466 1.730 7.779 373 HD13 LEU 44 3HD1 LEU 44 -0.319 -0.021 7.953 374 HD21 LEU 44 3HD2 LEU 44 -3.404 1.508 5.460 375 HD22 LEU 44 1HD2 LEU 44 -2.302 2.654 6.220 376 HD23 LEU 44 2HD2 LEU 44 -3.449 1.748 7.206 377 H VAL 45 H VAL 45 1.937 0.391 3.793 378 HA VAL 45 HA VAL 45 1.101 -0.682 1.322 379 HB VAL 45 HB VAL 45 3.870 0.255 2.098 380 HG11 VAL 45 1HG1 VAL 45 4.151 0.681 -0.310 381 HG12 VAL 45 2HG1 VAL 45 2.573 -0.051 -0.610 382 HG13 VAL 45 3HG1 VAL 45 3.891 -1.029 0.039 383 HG21 VAL 45 3HG2 VAL 45 3.204 2.410 1.165 384 HG22 VAL 45 1HG2 VAL 45 2.183 1.959 2.529 385 HG23 VAL 45 2HG2 VAL 45 1.578 1.788 0.883 386 H GLU 46 H GLU 46 3.638 -1.664 3.602 387 HA GLU 46 HA GLU 46 4.530 -3.901 2.134 388 HB2 GLU 46 2HB GLU 46 5.599 -2.704 4.185 389 HB3 GLU 46 3HB GLU 46 4.599 -3.793 5.137 390 HG2 GLU 46 2HG GLU 46 6.687 -4.830 4.987 391 HG3 GLU 46 3HG GLU 46 5.658 -5.685 3.839 392 H GLN 47 H GLN 47 2.022 -3.489 4.600 393 HA GLN 47 HA GLN 47 1.362 -6.124 5.125 394 HB2 GLN 47 2HB GLN 47 0.228 -3.597 5.634 395 HB3 GLN 47 3HB GLN 47 -1.042 -4.542 4.876 396 HG2 GLN 47 2HG GLN 47 0.532 -5.575 7.209 397 HG3 GLN 47 3HG GLN 47 -0.884 -4.553 7.418 398 HE21 GLN 47 1HE2 GLN 47 -0.572 -7.016 4.901 399 HE22 GLN 47 2HE2 GLN 47 -1.779 -8.075 5.541 400 H ALA 48 H ALA 48 -0.025 -4.031 2.581 401 HA ALA 48 HA ALA 48 -1.700 -5.984 1.457 402 HB1 ALA 48 3HB ALA 48 -0.410 -3.621 0.098 403 HB2 ALA 48 1HB ALA 48 -1.935 -3.601 0.981 404 HB3 ALA 48 2HB ALA 48 -1.792 -4.535 -0.509 405 H ARG 49 H ARG 49 1.689 -5.259 0.973 406 HA ARG 49 HA ARG 49 2.028 -6.851 -1.372 407 HB2 ARG 49 2HB ARG 49 3.505 -4.978 -0.762 408 HB3 ARG 49 3HB ARG 49 4.057 -5.886 0.640 409 HG2 ARG 49 2HG ARG 49 4.953 -7.613 -0.871 410 HG3 ARG 49 3HG ARG 49 4.464 -6.616 -2.250 411 HD2 ARG 49 2HD ARG 49 5.897 -4.834 -1.538 412 HD3 ARG 49 3HD ARG 49 6.290 -5.696 -0.054 413 HE ARG 49 HE ARG 49 6.982 -6.967 -2.591 414 HH11 ARG 49 1HH1 ARG 49 7.970 -5.316 0.332 415 HH12 ARG 49 2HH1 ARG 49 9.663 -5.634 0.096 416 HH21 ARG 49 1HH2 ARG 49 9.207 -7.380 -2.925 417 HH22 ARG 49 2HH2 ARG 49 10.374 -6.812 -1.763 418 H LEU 50 H LEU 50 2.403 -7.336 2.074 419 HA LEU 50 HA LEU 50 3.507 -9.928 2.025 420 HB2 LEU 50 2HB LEU 50 3.039 -8.131 3.951 421 HB3 LEU 50 3HB LEU 50 1.614 -9.125 4.183 422 HG LEU 50 HG LEU 50 3.428 -9.753 5.708 423 HD11 LEU 50 1HD1 LEU 50 3.442 -12.157 5.272 424 HD12 LEU 50 2HD1 LEU 50 2.844 -11.866 3.638 425 HD13 LEU 50 3HD1 LEU 50 1.837 -11.467 5.028 426 HD21 LEU 50 3HD2 LEU 50 5.318 -9.124 4.309 427 HD22 LEU 50 1HD2 LEU 50 4.950 -10.443 3.196 428 HD23 LEU 50 2HD2 LEU 50 5.466 -10.796 4.846 429 H GLU 51 H GLU 51 0.190 -8.720 2.094 430 HA GLU 51 HA GLU 51 -1.241 -11.059 2.357 431 HB2 GLU 51 2HB GLU 51 -1.888 -8.663 0.636 432 HB3 GLU 51 3HB GLU 51 -3.037 -9.914 1.082 433 HG2 GLU 51 2HG GLU 51 -1.593 -8.140 3.034 434 HG3 GLU 51 3HG GLU 51 -3.226 -7.862 2.435 435 H PHE 52 H PHE 52 -0.368 -9.510 -0.744 436 HA PHE 52 HA PHE 52 -1.271 -11.683 -2.312 437 HB2 PHE 52 2HB PHE 52 0.628 -9.429 -2.983 438 HB3 PHE 52 3HB PHE 52 0.013 -10.583 -4.163 439 HD1 PHE 52 HD2 PHE 52 -2.580 -10.781 -4.301 440 HD2 PHE 52 HD1 PHE 52 -0.521 -7.466 -2.608 441 HE1 PHE 52 HE2 PHE 52 -4.578 -9.382 -4.619 442 HE2 PHE 52 HE1 PHE 52 -2.518 -6.063 -2.920 443 HZ PHE 52 HZ PHE 52 -4.549 -7.020 -3.925 444 H GLY 53 H GLY 53 1.745 -11.008 -0.723 445 HA2 GLY 53 2HA GLY 53 3.312 -12.959 -2.091 446 HA3 GLY 53 3HA GLY 53 3.679 -12.243 -0.525 447 H GLN 54 H GLN 54 0.870 -13.143 0.287 448 HA GLN 54 HA GLN 54 1.544 -15.960 0.828 449 HB2 GLN 54 2HB GLN 54 0.079 -13.906 2.477 450 HB3 GLN 54 3HB GLN 54 -0.040 -15.628 2.812 451 HG2 GLN 54 2HG GLN 54 2.538 -14.084 2.746 452 HG3 GLN 54 3HG GLN 54 1.618 -14.437 4.208 453 HE21 GLN 54 1HE2 GLN 54 1.480 -16.561 4.942 454 HE22 GLN 54 2HE2 GLN 54 2.600 -17.780 4.426 455 H LEU 55 H LEU 55 -0.315 -14.184 -1.118 456 HA LEU 55 HA LEU 55 -2.664 -15.939 -0.880 457 HB2 LEU 55 2HB LEU 55 -3.029 -13.510 -0.558 458 HB3 LEU 55 3HB LEU 55 -2.429 -13.219 -2.172 459 HG LEU 55 HG LEU 55 -4.970 -13.182 -1.757 460 HD11 LEU 55 1HD1 LEU 55 -4.002 -13.057 -3.964 461 HD12 LEU 55 2HD1 LEU 55 -5.422 -14.104 -3.985 462 HD13 LEU 55 3HD1 LEU 55 -3.804 -14.810 -4.004 463 HD21 LEU 55 3HD2 LEU 55 -6.095 -15.335 -1.969 464 HD22 LEU 55 1HD2 LEU 55 -5.107 -15.279 -0.511 465 HD23 LEU 55 2HD2 LEU 55 -4.541 -16.162 -1.928 466 H GLU 56 H GLU 56 -0.264 -14.682 -3.126 467 HA GLU 56 HA GLU 56 0.191 -15.047 -5.317 468 HB2 GLU 56 2HB GLU 56 -1.041 -17.766 -4.797 469 HB3 GLU 56 3HB GLU 56 -0.067 -17.342 -6.193 470 HG2 GLU 56 2HG GLU 56 1.517 -18.360 -4.946 471 HG3 GLU 56 3HG GLU 56 1.690 -16.723 -4.317 472 H HIS 57 H HIS 57 -2.259 -17.324 -5.903 473 HA HIS 57 HA HIS 57 -4.340 -15.404 -6.572 474 HB2 HIS 57 2HB HIS 57 -3.304 -17.369 -8.641 475 HB3 HIS 57 3HB HIS 57 -4.675 -16.292 -8.838 476 HD1 HIS 57 HD1 HIS 57 -4.185 -13.863 -9.494 477 HD2 HIS 57 HD2 HIS 57 -0.775 -16.172 -8.900 478 HE1 HIS 57 HE1 HIS 57 -2.277 -12.509 -10.414 479 HE2 HIS 57 HE2 HIS 57 -0.287 -14.049 -10.289 480 H HIS 58 H HIS 58 -3.278 -18.751 -6.936 481 HA HIS 58 HA HIS 58 -5.592 -19.678 -5.392 482 HB2 HIS 58 2HB HIS 58 -6.136 -19.926 -7.809 483 HB3 HIS 58 3HB HIS 58 -4.673 -20.874 -8.026 484 HD1 HIS 58 HD1 HIS 58 -8.084 -21.041 -6.452 485 HD2 HIS 58 HD2 HIS 58 -4.900 -23.552 -7.376 486 HE1 HIS 58 HE1 HIS 58 -8.943 -23.381 -6.115 487 HE2 HIS 58 HE2 HIS 58 -7.087 -24.868 -6.948 488 H HIS 59 H HIS 59 -4.745 -20.761 -3.709 489 HA HIS 59 HA HIS 59 -2.011 -21.475 -3.600 490 HB2 HIS 59 2HB HIS 59 -4.292 -22.355 -1.817 491 HB3 HIS 59 3HB HIS 59 -2.588 -22.627 -1.475 492 HD1 HIS 59 HD1 HIS 59 -1.387 -19.883 -2.028 493 HD2 HIS 59 HD2 HIS 59 -5.017 -20.441 -0.063 494 HE1 HIS 59 HE1 HIS 59 -1.747 -17.814 -0.656 495 HE2 HIS 59 HE2 HIS 59 -3.929 -18.173 0.547 496 H HIS 60 H HIS 60 -1.036 -23.118 -4.526 497 HA HIS 60 HA HIS 60 -2.444 -25.175 -5.868 498 HB2 HIS 60 2HB HIS 60 -0.161 -24.348 -6.492 499 HB3 HIS 60 3HB HIS 60 0.479 -25.188 -5.082 500 HD1 HIS 60 HD1 HIS 60 0.843 -27.708 -5.275 501 HD2 HIS 60 HD2 HIS 60 -1.086 -26.052 -8.572 502 HE1 HIS 60 HE1 HIS 60 0.789 -29.521 -7.019 503 HE2 HIS 60 HE2 HIS 60 -0.199 -28.428 -9.063 504 H HIS 61 H HIS 61 -3.156 -27.076 -5.200 505 HA HIS 61 HA HIS 61 -2.581 -27.846 -2.421 506 HB2 HIS 61 2HB HIS 61 -4.825 -28.697 -4.265 507 HB3 HIS 61 3HB HIS 61 -4.619 -29.241 -2.605 508 HD1 HIS 61 HD1 HIS 61 -6.606 -27.028 -4.411 509 HD2 HIS 61 HD2 HIS 61 -4.440 -26.662 -0.878 510 HE1 HIS 61 HE1 HIS 61 -7.635 -25.086 -3.176 511 HE2 HIS 61 HE2 HIS 61 -6.203 -24.785 -1.124 512 H HIS 62 H HIS 62 -2.383 -30.167 -1.970 513 HA HIS 62 HA HIS 62 -0.936 -31.486 -4.153 514 HB2 HIS 62 2HB HIS 62 0.124 -32.888 -2.387 515 HB3 HIS 62 3HB HIS 62 0.487 -31.176 -2.238 516 HD1 HIS 62 HD1 HIS 62 -0.554 -29.914 -0.203 517 HD2 HIS 62 HD2 HIS 62 -1.244 -34.020 -0.240 518 HE1 HIS 62 HE1 HIS 62 -1.333 -30.497 2.118 519 HE2 HIS 62 HE2 HIS 62 -1.909 -32.950 2.023 Start of MODEL 14 1 H1 MET 1 1H MET 1 -8.429 12.453 -4.939 2 H2 MET 1 2H MET 1 -9.343 11.025 -4.897 3 H3 MET 1 3H MET 1 -9.704 12.223 -6.029 4 HA MET 1 HA MET 1 -8.492 10.267 -6.929 5 HB2 MET 1 2HB MET 1 -7.191 12.995 -7.143 6 HB3 MET 1 3HB MET 1 -6.879 11.655 -8.233 7 HG2 MET 1 2HG MET 1 -8.413 13.155 -9.279 8 HG3 MET 1 3HG MET 1 -9.270 11.670 -8.871 9 HE1 MET 1 3HE MET 1 -11.635 12.883 -9.196 10 HE2 MET 1 1HE MET 1 -10.750 14.329 -9.678 11 HE3 MET 1 2HE MET 1 -12.024 14.437 -8.464 12 H ASN 2 H ASN 2 -7.352 8.736 -5.894 13 HA ASN 2 HA ASN 2 -5.719 7.666 -4.733 14 HB2 ASN 2 2HB ASN 2 -4.177 10.077 -5.663 15 HB3 ASN 2 3HB ASN 2 -3.439 8.899 -4.586 16 HD21 ASN 2 1HD2 ASN 2 -2.837 9.659 -7.368 17 HD22 ASN 2 2HD2 ASN 2 -2.883 8.173 -8.264 18 H LEU 3 H LEU 3 -4.719 7.547 -2.661 19 HA LEU 3 HA LEU 3 -5.657 9.603 -0.811 20 HB2 LEU 3 2HB LEU 3 -4.338 6.935 -0.332 21 HB3 LEU 3 3HB LEU 3 -4.818 8.036 0.943 22 HG LEU 3 HG LEU 3 -6.616 6.552 -0.967 23 HD11 LEU 3 1HD1 LEU 3 -5.831 5.235 0.902 24 HD12 LEU 3 2HD1 LEU 3 -7.541 5.622 1.108 25 HD13 LEU 3 3HD1 LEU 3 -6.319 6.499 2.029 26 HD21 LEU 3 3HD2 LEU 3 -7.477 8.813 -0.686 27 HD22 LEU 3 1HD2 LEU 3 -7.362 8.654 1.067 28 HD23 LEU 3 2HD2 LEU 3 -8.492 7.644 0.161 29 H ARG 4 H ARG 4 -3.913 9.935 1.085 30 HA ARG 4 HA ARG 4 -1.659 11.134 -0.248 31 HB2 ARG 4 2HB ARG 4 -2.663 11.157 2.562 32 HB3 ARG 4 3HB ARG 4 -1.002 11.635 2.230 33 HG2 ARG 4 2HG ARG 4 -2.023 13.199 0.471 34 HG3 ARG 4 3HG ARG 4 -3.541 12.927 1.334 35 HD2 ARG 4 2HD ARG 4 -2.415 14.927 2.146 36 HD3 ARG 4 3HD ARG 4 -2.506 13.693 3.401 37 HE ARG 4 HE ARG 4 -0.143 13.192 2.892 38 HH11 ARG 4 1HH1 ARG 4 -1.451 16.256 1.821 39 HH12 ARG 4 2HH1 ARG 4 0.079 17.084 1.904 40 HH21 ARG 4 1HH2 ARG 4 1.868 14.255 2.983 41 HH22 ARG 4 2HH2 ARG 4 1.972 15.945 2.579 42 H TRP 5 H TRP 5 -0.037 10.006 -0.835 43 HA TRP 5 HA TRP 5 0.770 7.669 0.719 44 HB2 TRP 5 2HB TRP 5 1.516 8.622 -2.050 45 HB3 TRP 5 3HB TRP 5 2.314 7.272 -1.255 46 HD1 TRP 5 HD1 TRP 5 -1.278 8.270 -2.341 47 HE1 TRP 5 HE1 TRP 5 -2.554 6.113 -2.939 48 HE3 TRP 5 HE3 TRP 5 2.334 4.869 -1.147 49 HZ2 TRP 5 HZ2 TRP 5 -2.057 3.329 -2.929 50 HZ3 TRP 5 HZ3 TRP 5 1.858 2.474 -1.470 51 HH2 TRP 5 HH2 TRP 5 -0.295 1.724 -2.341 52 H THR 6 H THR 6 2.325 7.818 2.130 53 HA THR 6 HA THR 6 3.922 10.144 2.433 54 HB THR 6 HB THR 6 5.194 8.712 4.094 55 HG1 THR 6 HG1 THR 6 3.138 6.812 3.931 56 HG21 THR 6 3HG2 THR 6 3.298 8.559 5.685 57 HG22 THR 6 1HG2 THR 6 2.193 8.891 4.351 58 HG23 THR 6 2HG2 THR 6 3.371 10.109 4.843 59 H SER 7 H SER 7 6.271 10.243 2.234 60 HA SER 7 HA SER 7 7.185 9.400 -0.270 61 HB2 SER 7 2HB SER 7 9.487 10.001 0.750 62 HB3 SER 7 3HB SER 7 8.270 11.271 0.638 63 HG SER 7 HG SER 7 9.480 10.895 2.732 64 H GLU 8 H GLU 8 7.466 7.956 2.899 65 HA GLU 8 HA GLU 8 9.274 5.882 2.178 66 HB2 GLU 8 2HB GLU 8 7.262 6.022 4.430 67 HB3 GLU 8 3HB GLU 8 8.600 4.883 4.321 68 HG2 GLU 8 2HG GLU 8 10.200 6.572 4.625 69 HG3 GLU 8 3HG GLU 8 9.025 7.850 4.316 70 H ALA 9 H ALA 9 5.744 6.158 2.279 71 HA ALA 9 HA ALA 9 5.170 3.445 1.724 72 HB1 ALA 9 3HB ALA 9 2.925 4.236 1.119 73 HB2 ALA 9 1HB ALA 9 3.508 5.900 1.167 74 HB3 ALA 9 2HB ALA 9 3.482 4.933 2.641 75 H LYS 10 H LYS 10 5.475 6.293 -0.380 76 HA LYS 10 HA LYS 10 4.957 5.109 -2.830 77 HB2 LYS 10 2HB LYS 10 7.049 7.212 -2.238 78 HB3 LYS 10 3HB LYS 10 6.384 6.851 -3.823 79 HG2 LYS 10 2HG LYS 10 4.183 7.586 -3.085 80 HG3 LYS 10 3HG LYS 10 4.829 7.914 -1.475 81 HD2 LYS 10 2HD LYS 10 6.409 9.537 -2.500 82 HD3 LYS 10 3HD LYS 10 5.614 9.277 -4.054 83 HE2 LYS 10 2HE LYS 10 3.514 10.082 -3.134 84 HE3 LYS 10 3HE LYS 10 4.264 10.278 -1.551 85 HZ1 LYS 10 3HZ LYS 10 4.822 11.816 -4.025 86 HZ2 LYS 10 1HZ LYS 10 5.832 11.869 -2.660 87 HZ3 LYS 10 2HZ LYS 10 4.222 12.391 -2.546 88 H THR 11 H THR 11 8.004 5.256 -1.040 89 HA THR 11 HA THR 11 9.606 3.950 -2.936 90 HB THR 11 HB THR 11 9.948 3.950 0.071 91 HG1 THR 11 HG1 THR 11 10.018 6.054 -0.338 92 HG21 THR 11 3HG2 THR 11 12.333 3.734 -0.439 93 HG22 THR 11 1HG2 THR 11 11.967 3.679 -2.162 94 HG23 THR 11 2HG2 THR 11 11.426 2.376 -1.103 95 H LYS 12 H LYS 12 7.659 2.717 -0.254 96 HA LYS 12 HA LYS 12 8.428 0.003 -0.511 97 HB2 LYS 12 2HB LYS 12 6.038 1.350 0.738 98 HB3 LYS 12 3HB LYS 12 6.215 -0.398 0.722 99 HG2 LYS 12 2HG LYS 12 8.283 1.452 1.878 100 HG3 LYS 12 3HG LYS 12 6.964 0.751 2.819 101 HD2 LYS 12 2HD LYS 12 7.745 -1.491 2.259 102 HD3 LYS 12 3HD LYS 12 9.045 -0.801 1.283 103 HE2 LYS 12 2HE LYS 12 10.014 0.226 3.245 104 HE3 LYS 12 3HE LYS 12 8.676 -0.350 4.239 105 HZ1 LYS 12 3HZ LYS 12 10.817 -1.672 4.296 106 HZ2 LYS 12 1HZ LYS 12 10.416 -2.211 2.743 107 HZ3 LYS 12 2HZ LYS 12 9.387 -2.552 4.050 108 H LEU 13 H LEU 13 5.812 1.912 -1.927 109 HA LEU 13 HA LEU 13 4.432 -0.220 -3.150 110 HB2 LEU 13 2HB LEU 13 3.567 2.119 -2.826 111 HB3 LEU 13 3HB LEU 13 4.603 2.627 -4.147 112 HG LEU 13 HG LEU 13 3.375 1.075 -5.655 113 HD11 LEU 13 1HD1 LEU 13 1.522 0.748 -3.302 114 HD12 LEU 13 2HD1 LEU 13 2.597 -0.492 -3.945 115 HD13 LEU 13 3HD1 LEU 13 1.268 0.119 -4.929 116 HD21 LEU 13 3HD2 LEU 13 2.769 3.431 -5.579 117 HD22 LEU 13 1HD2 LEU 13 1.684 3.127 -4.224 118 HD23 LEU 13 2HD2 LEU 13 1.328 2.438 -5.808 119 H LYS 14 H LYS 14 7.235 1.632 -4.079 120 HA LYS 14 HA LYS 14 7.300 0.720 -6.793 121 HB2 LYS 14 2HB LYS 14 9.412 2.039 -5.080 122 HB3 LYS 14 3HB LYS 14 9.587 1.717 -6.799 123 HG2 LYS 14 2HG LYS 14 7.832 3.230 -7.344 124 HG3 LYS 14 3HG LYS 14 7.386 3.409 -5.645 125 HD2 LYS 14 2HD LYS 14 9.583 4.424 -5.196 126 HD3 LYS 14 3HD LYS 14 9.979 4.286 -6.911 127 HE2 LYS 14 2HE LYS 14 8.220 5.800 -7.504 128 HE3 LYS 14 3HE LYS 14 7.611 5.820 -5.850 129 HZ1 LYS 14 3HZ LYS 14 8.903 7.801 -6.348 130 HZ2 LYS 14 1HZ LYS 14 10.257 6.856 -6.729 131 HZ3 LYS 14 2HZ LYS 14 9.664 6.881 -5.141 132 H ASN 15 H ASN 15 7.974 -0.802 -3.891 133 HA ASN 15 HA ASN 15 10.021 -2.561 -4.980 134 HB2 ASN 15 2HB ASN 15 8.630 -2.442 -2.304 135 HB3 ASN 15 3HB ASN 15 9.669 -3.789 -2.756 136 HD21 ASN 15 1HD2 ASN 15 10.028 -1.923 -0.597 137 HD22 ASN 15 2HD2 ASN 15 11.543 -1.137 -0.873 138 H ILE 16 H ILE 16 6.681 -2.298 -4.984 139 HA ILE 16 HA ILE 16 6.157 -5.152 -5.187 140 HB ILE 16 HB ILE 16 4.253 -2.837 -5.610 141 HG12 ILE 16 2HG1 ILE 16 4.781 -4.439 -3.093 142 HG13 ILE 16 3HG1 ILE 16 5.274 -2.772 -3.363 143 HG21 ILE 16 1HG2 ILE 16 3.758 -5.756 -5.028 144 HG22 ILE 16 2HG2 ILE 16 3.450 -4.924 -6.552 145 HG23 ILE 16 3HG2 ILE 16 2.514 -4.510 -5.117 146 HD11 ILE 16 3HD1 ILE 16 3.292 -2.890 -1.977 147 HD12 ILE 16 1HD1 ILE 16 2.440 -3.775 -3.242 148 HD13 ILE 16 2HD1 ILE 16 2.935 -2.104 -3.514 149 HA PRO 17 HA PRO 17 6.866 -5.350 -9.601 150 HB2 PRO 17 2HB PRO 17 4.637 -7.317 -9.477 151 HB3 PRO 17 3HB PRO 17 6.246 -7.485 -10.188 152 HG2 PRO 17 2HG PRO 17 5.641 -8.656 -7.872 153 HG3 PRO 17 3HG PRO 17 7.242 -7.950 -8.155 154 HD2 PRO 17 2HD PRO 17 4.972 -6.919 -6.524 155 HD3 PRO 17 3HD PRO 17 6.718 -6.776 -6.249 156 H PHE 18 H PHE 18 6.061 -4.095 -11.169 157 HA PHE 18 HA PHE 18 3.955 -2.372 -10.761 158 HB2 PHE 18 2HB PHE 18 4.159 -1.719 -13.087 159 HB3 PHE 18 3HB PHE 18 5.755 -2.008 -12.405 160 HD1 PHE 18 HD2 PHE 18 6.969 -4.110 -13.000 161 HD2 PHE 18 HD1 PHE 18 3.371 -2.930 -14.938 162 HE1 PHE 18 HE2 PHE 18 7.477 -5.631 -14.863 163 HE2 PHE 18 HE1 PHE 18 3.871 -4.449 -16.806 164 HZ PHE 18 HZ PHE 18 5.927 -5.802 -16.768 165 H PHE 19 H PHE 19 3.831 -5.555 -12.203 166 HA PHE 19 HA PHE 19 1.320 -5.341 -13.455 167 HB2 PHE 19 2HB PHE 19 2.765 -7.160 -14.041 168 HB3 PHE 19 3HB PHE 19 2.828 -7.726 -12.376 169 HD1 PHE 19 HD1 PHE 19 0.309 -7.054 -15.054 170 HD2 PHE 19 HD2 PHE 19 1.517 -9.523 -11.802 171 HE1 PHE 19 HE1 PHE 19 -1.588 -8.553 -15.488 172 HE2 PHE 19 HE2 PHE 19 -0.383 -11.027 -12.238 173 HZ PHE 19 HZ PHE 19 -1.936 -10.541 -14.083 174 H ALA 20 H ALA 20 2.243 -6.072 -10.150 175 HA ALA 20 HA ALA 20 -0.602 -6.428 -9.462 176 HB1 ALA 20 3HB ALA 20 0.721 -8.430 -9.045 177 HB2 ALA 20 1HB ALA 20 0.160 -7.727 -7.529 178 HB3 ALA 20 2HB ALA 20 1.832 -7.500 -8.042 179 H ARG 21 H ARG 21 1.565 -4.102 -9.529 180 HA ARG 21 HA ARG 21 1.817 -3.261 -6.839 181 HB2 ARG 21 2HB ARG 21 3.256 -2.566 -8.854 182 HB3 ARG 21 3HB ARG 21 1.976 -1.407 -9.204 183 HG2 ARG 21 2HG ARG 21 2.302 -0.724 -6.709 184 HG3 ARG 21 3HG ARG 21 3.876 -1.497 -6.914 185 HD2 ARG 21 2HD ARG 21 2.763 0.755 -8.575 186 HD3 ARG 21 3HD ARG 21 4.001 0.894 -7.332 187 HE ARG 21 HE ARG 21 5.332 -0.651 -8.847 188 HH11 ARG 21 1HH1 ARG 21 2.880 1.526 -10.045 189 HH12 ARG 21 2HH1 ARG 21 3.700 1.842 -11.546 190 HH21 ARG 21 1HH2 ARG 21 6.428 -0.256 -10.805 191 HH22 ARG 21 2HH2 ARG 21 5.741 0.835 -11.979 192 H SER 22 H SER 22 -0.334 -2.250 -9.478 193 HA SER 22 HA SER 22 -1.677 -0.286 -7.930 194 HB2 SER 22 2HB SER 22 -2.610 -1.709 -10.436 195 HB3 SER 22 3HB SER 22 -3.265 -0.201 -9.788 196 HG SER 22 HG SER 22 -1.094 -0.600 -11.358 197 H GLN 23 H GLN 23 -2.171 -3.697 -8.535 198 HA GLN 23 HA GLN 23 -4.716 -3.972 -7.364 199 HB2 GLN 23 2HB GLN 23 -3.662 -5.737 -8.705 200 HB3 GLN 23 3HB GLN 23 -2.421 -5.942 -7.479 201 HG2 GLN 23 2HG GLN 23 -4.086 -6.711 -5.892 202 HG3 GLN 23 3HG GLN 23 -5.358 -6.455 -7.085 203 HE21 GLN 23 1HE2 GLN 23 -3.668 -7.415 -9.281 204 HE22 GLN 23 2HE2 GLN 23 -3.626 -9.138 -9.117 205 H ALA 24 H ALA 24 -1.463 -4.380 -5.981 206 HA ALA 24 HA ALA 24 -2.284 -4.764 -3.323 207 HB1 ALA 24 3HB ALA 24 -0.021 -5.285 -4.115 208 HB2 ALA 24 1HB ALA 24 0.012 -4.210 -2.712 209 HB3 ALA 24 2HB ALA 24 0.294 -3.561 -4.328 210 H LYS 25 H LYS 25 -1.426 -1.875 -5.142 211 HA LYS 25 HA LYS 25 -1.572 0.028 -3.120 212 HB2 LYS 25 2HB LYS 25 -0.623 0.700 -5.142 213 HB3 LYS 25 3HB LYS 25 -1.972 0.102 -6.089 214 HG2 LYS 25 2HG LYS 25 -3.308 1.958 -5.561 215 HG3 LYS 25 3HG LYS 25 -2.253 2.434 -4.227 216 HD2 LYS 25 2HD LYS 25 -0.622 3.269 -5.638 217 HD3 LYS 25 3HD LYS 25 -1.167 2.301 -7.008 218 HE2 LYS 25 2HE LYS 25 -1.665 4.697 -7.263 219 HE3 LYS 25 3HE LYS 25 -3.104 3.690 -7.272 220 HZ1 LYS 25 3HZ LYS 25 -3.379 5.707 -5.949 221 HZ2 LYS 25 1HZ LYS 25 -2.117 5.218 -4.934 222 HZ3 LYS 25 2HZ LYS 25 -3.550 4.314 -4.999 223 H ALA 26 H ALA 26 -4.159 -1.261 -5.179 224 HA ALA 26 HA ALA 26 -6.230 0.380 -4.243 225 HB1 ALA 26 3HB ALA 26 -6.431 -1.053 -6.222 226 HB2 ALA 26 1HB ALA 26 -7.747 -1.336 -5.080 227 HB3 ALA 26 2HB ALA 26 -6.409 -2.482 -5.185 228 H ARG 27 H ARG 27 -4.920 -2.659 -3.007 229 HA ARG 27 HA ARG 27 -6.816 -2.889 -0.884 230 HB2 ARG 27 2HB ARG 27 -5.571 -4.820 -1.774 231 HB3 ARG 27 3HB ARG 27 -4.076 -4.142 -1.151 232 HG2 ARG 27 2HG ARG 27 -4.752 -4.476 1.090 233 HG3 ARG 27 3HG ARG 27 -6.416 -4.822 0.612 234 HD2 ARG 27 2HD ARG 27 -5.693 -6.858 -0.503 235 HD3 ARG 27 3HD ARG 27 -4.015 -6.504 -0.098 236 HE ARG 27 HE ARG 27 -4.510 -6.972 2.182 237 HH11 ARG 27 1HH1 ARG 27 -7.179 -7.651 0.020 238 HH12 ARG 27 2HH1 ARG 27 -7.937 -8.781 1.099 239 HH21 ARG 27 1HH2 ARG 27 -5.476 -8.478 3.589 240 HH22 ARG 27 2HH2 ARG 27 -6.971 -9.246 3.127 241 H ILE 28 H ILE 28 -3.543 -1.558 -1.147 242 HA ILE 28 HA ILE 28 -3.074 -0.975 1.545 243 HB ILE 28 HB ILE 28 -2.198 0.627 -0.870 244 HG12 ILE 28 2HG1 ILE 28 -0.661 -1.477 0.659 245 HG13 ILE 28 3HG1 ILE 28 -1.563 -1.817 -0.814 246 HG21 ILE 28 1HG2 ILE 28 -0.382 1.433 0.585 247 HG22 ILE 28 2HG2 ILE 28 -1.115 0.589 1.949 248 HG23 ILE 28 3HG2 ILE 28 -1.971 1.923 1.173 249 HD11 ILE 28 3HD1 ILE 28 0.811 -1.511 -1.257 250 HD12 ILE 28 1HD1 ILE 28 0.733 0.111 -0.571 251 HD13 ILE 28 2HD1 ILE 28 -0.157 -0.268 -2.046 252 H GLU 29 H GLU 29 -4.484 1.112 -0.971 253 HA GLU 29 HA GLU 29 -5.069 3.236 0.811 254 HB2 GLU 29 2HB GLU 29 -6.182 2.590 -1.925 255 HB3 GLU 29 3HB GLU 29 -6.450 4.107 -1.071 256 HG2 GLU 29 2HG GLU 29 -4.045 4.534 -1.070 257 HG3 GLU 29 3HG GLU 29 -3.771 3.012 -1.913 258 H GLN 30 H GLN 30 -6.724 0.304 -0.025 259 HA GLN 30 HA GLN 30 -9.279 1.090 0.990 260 HB2 GLN 30 2HB GLN 30 -8.341 -1.068 -0.445 261 HB3 GLN 30 3HB GLN 30 -8.663 -1.769 1.138 262 HG2 GLN 30 2HG GLN 30 -10.601 -1.990 -0.276 263 HG3 GLN 30 3HG GLN 30 -10.944 -0.882 1.053 264 HE21 GLN 30 1HE2 GLN 30 -9.019 -0.035 -1.747 265 HE22 GLN 30 2HE2 GLN 30 -10.146 1.098 -2.411 266 H LEU 31 H LEU 31 -6.483 -0.634 2.290 267 HA LEU 31 HA LEU 31 -7.475 -1.243 4.833 268 HB2 LEU 31 2HB LEU 31 -4.663 -0.557 3.958 269 HB3 LEU 31 3HB LEU 31 -5.073 -1.255 5.514 270 HG LEU 31 HG LEU 31 -5.762 -2.636 2.930 271 HD11 LEU 31 1HD1 LEU 31 -3.719 -3.929 3.163 272 HD12 LEU 31 2HD1 LEU 31 -3.248 -2.968 4.564 273 HD13 LEU 31 3HD1 LEU 31 -3.342 -2.219 2.971 274 HD21 LEU 31 3HD2 LEU 31 -5.371 -3.618 5.756 275 HD22 LEU 31 1HD2 LEU 31 -5.782 -4.617 4.363 276 HD23 LEU 31 2HD2 LEU 31 -6.919 -3.399 4.942 277 H ALA 32 H ALA 32 -5.812 1.642 3.629 278 HA ALA 32 HA ALA 32 -5.718 3.075 6.039 279 HB1 ALA 32 3HB ALA 32 -5.914 4.135 3.221 280 HB2 ALA 32 1HB ALA 32 -4.429 3.717 4.078 281 HB3 ALA 32 2HB ALA 32 -5.422 5.062 4.641 282 H ARG 33 H ARG 33 -8.240 2.766 3.601 283 HA ARG 33 HA ARG 33 -9.971 4.725 4.683 284 HB2 ARG 33 2HB ARG 33 -10.587 2.309 2.977 285 HB3 ARG 33 3HB ARG 33 -11.745 3.572 3.370 286 HG2 ARG 33 2HG ARG 33 -10.163 5.206 2.304 287 HG3 ARG 33 3HG ARG 33 -9.245 3.817 1.720 288 HD2 ARG 33 2HD ARG 33 -10.776 4.572 0.006 289 HD3 ARG 33 3HD ARG 33 -11.272 2.984 0.596 290 HE ARG 33 HE ARG 33 -12.534 5.481 1.525 291 HH11 ARG 33 1HH1 ARG 33 -12.742 2.198 0.325 292 HH12 ARG 33 2HH1 ARG 33 -14.461 2.099 0.530 293 HH21 ARG 33 1HH2 ARG 33 -14.791 5.377 1.764 294 HH22 ARG 33 2HH2 ARG 33 -15.637 3.919 1.307 295 H GLN 34 H GLN 34 -9.479 1.315 5.369 296 HA GLN 34 HA GLN 34 -11.743 1.018 7.068 297 HB2 GLN 34 2HB GLN 34 -9.136 -0.519 7.075 298 HB3 GLN 34 3HB GLN 34 -10.615 -1.007 7.892 299 HG2 GLN 34 2HG GLN 34 -11.743 -1.188 5.733 300 HG3 GLN 34 3HG GLN 34 -10.257 -0.708 4.917 301 HE21 GLN 34 1HE2 GLN 34 -8.624 -2.220 6.865 302 HE22 GLN 34 2HE2 GLN 34 -8.783 -3.878 6.402 303 H ALA 35 H ALA 35 -8.578 2.348 7.450 304 HA ALA 35 HA ALA 35 -8.852 2.584 10.340 305 HB1 ALA 35 3HB ALA 35 -6.648 2.085 9.407 306 HB2 ALA 35 1HB ALA 35 -6.640 3.633 10.248 307 HB3 ALA 35 2HB ALA 35 -6.688 3.587 8.486 308 H GLU 36 H GLU 36 -9.849 4.208 7.608 309 HA GLU 36 HA GLU 36 -10.864 6.176 7.203 310 HB2 GLU 36 2HB GLU 36 -11.095 6.064 10.189 311 HB3 GLU 36 3HB GLU 36 -11.656 7.473 9.297 312 HG2 GLU 36 2HG GLU 36 -12.555 4.667 8.715 313 HG3 GLU 36 3HG GLU 36 -13.404 5.760 9.805 314 H GLN 37 H GLN 37 -8.159 6.171 7.031 315 HA GLN 37 HA GLN 37 -7.642 8.996 7.618 316 HB2 GLN 37 2HB GLN 37 -5.277 8.498 8.052 317 HB3 GLN 37 3HB GLN 37 -6.325 7.696 9.212 318 HG2 GLN 37 2HG GLN 37 -6.116 5.619 7.852 319 HG3 GLN 37 3HG GLN 37 -4.915 6.454 6.867 320 HE21 GLN 37 1HE2 GLN 37 -3.244 5.104 7.421 321 HE22 GLN 37 2HE2 GLN 37 -2.543 5.064 9.001 322 H ASP 38 H ASP 38 -6.340 10.063 6.065 323 HA ASP 38 HA ASP 38 -6.763 8.931 3.408 324 HB2 ASP 38 2HB ASP 38 -7.420 11.302 4.051 325 HB3 ASP 38 3HB ASP 38 -5.703 11.675 4.111 326 H ILE 39 H ILE 39 -4.305 9.435 5.696 327 HA ILE 39 HA ILE 39 -2.136 9.391 3.756 328 HB ILE 39 HB ILE 39 -2.052 9.512 6.776 329 HG12 ILE 39 2HG1 ILE 39 -1.570 11.731 4.785 330 HG13 ILE 39 3HG1 ILE 39 -3.111 11.471 5.596 331 HG21 ILE 39 1HG2 ILE 39 -0.009 8.579 5.884 332 HG22 ILE 39 2HG2 ILE 39 0.281 10.221 6.460 333 HG23 ILE 39 3HG2 ILE 39 0.128 9.907 4.729 334 HD11 ILE 39 3HD1 ILE 39 -1.832 13.210 6.685 335 HD12 ILE 39 1HD1 ILE 39 -0.489 12.091 6.936 336 HD13 ILE 39 2HD1 ILE 39 -2.032 11.820 7.752 337 H VAL 40 H VAL 40 -1.264 7.547 3.091 338 HA VAL 40 HA VAL 40 -1.661 5.130 4.692 339 HB VAL 40 HB VAL 40 -0.959 3.850 2.768 340 HG11 VAL 40 1HG1 VAL 40 -2.915 6.001 1.970 341 HG12 VAL 40 2HG1 VAL 40 -3.293 4.526 2.857 342 HG13 VAL 40 3HG1 VAL 40 -2.731 4.430 1.189 343 HG21 VAL 40 3HG2 VAL 40 -0.385 4.908 0.637 344 HG22 VAL 40 1HG2 VAL 40 0.766 5.328 1.906 345 HG23 VAL 40 2HG2 VAL 40 -0.461 6.491 1.410 346 H THR 41 H THR 41 -0.044 4.100 5.700 347 HA THR 41 HA THR 41 2.592 5.351 5.630 348 HB THR 41 HB THR 41 3.007 3.897 7.656 349 HG1 THR 41 HG1 THR 41 1.193 2.944 8.624 350 HG21 THR 41 3HG2 THR 41 0.686 5.820 7.805 351 HG22 THR 41 1HG2 THR 41 2.394 6.257 7.855 352 HG23 THR 41 2HG2 THR 41 1.688 5.303 9.164 353 HA PRO 42 HA PRO 42 4.533 2.125 3.336 354 HB2 PRO 42 2HB PRO 42 6.796 1.690 4.871 355 HB3 PRO 42 3HB PRO 42 6.620 2.971 3.669 356 HG2 PRO 42 2HG PRO 42 6.308 3.098 6.635 357 HG3 PRO 42 3HG PRO 42 7.039 4.277 5.530 358 HD2 PRO 42 2HD PRO 42 4.583 4.634 6.539 359 HD3 PRO 42 3HD PRO 42 4.985 5.129 4.882 360 H GLU 43 H GLU 43 4.071 1.717 6.777 361 HA GLU 43 HA GLU 43 4.551 -1.024 7.045 362 HB2 GLU 43 2HB GLU 43 2.546 0.726 8.488 363 HB3 GLU 43 3HB GLU 43 2.955 -0.908 8.977 364 HG2 GLU 43 2HG GLU 43 4.126 0.634 10.369 365 HG3 GLU 43 3HG GLU 43 5.295 -0.167 9.319 366 H LEU 44 H LEU 44 1.648 0.746 6.091 367 HA LEU 44 HA LEU 44 -0.009 -1.550 5.828 368 HB2 LEU 44 2HB LEU 44 -0.212 1.327 5.140 369 HB3 LEU 44 3HB LEU 44 -1.241 0.235 4.241 370 HG LEU 44 HG LEU 44 -2.269 -0.551 6.311 371 HD11 LEU 44 1HD1 LEU 44 -1.768 0.519 8.447 372 HD12 LEU 44 2HD1 LEU 44 -0.468 1.437 7.690 373 HD13 LEU 44 3HD1 LEU 44 -0.357 -0.320 7.804 374 HD21 LEU 44 3HD2 LEU 44 -3.431 1.516 6.922 375 HD22 LEU 44 1HD2 LEU 44 -3.243 1.364 5.175 376 HD23 LEU 44 2HD2 LEU 44 -2.197 2.455 6.084 377 H VAL 45 H VAL 45 1.997 0.303 3.599 378 HA VAL 45 HA VAL 45 1.223 -0.969 1.216 379 HB VAL 45 HB VAL 45 3.959 0.131 1.887 380 HG11 VAL 45 1HG1 VAL 45 3.921 -1.278 -0.118 381 HG12 VAL 45 2HG1 VAL 45 4.217 0.414 -0.514 382 HG13 VAL 45 3HG1 VAL 45 2.621 -0.287 -0.785 383 HG21 VAL 45 3HG2 VAL 45 2.223 1.791 2.283 384 HG22 VAL 45 1HG2 VAL 45 1.570 1.510 0.669 385 HG23 VAL 45 2HG2 VAL 45 3.177 2.211 0.861 386 H GLU 46 H GLU 46 3.915 -1.656 3.427 387 HA GLU 46 HA GLU 46 4.832 -3.949 2.076 388 HB2 GLU 46 2HB GLU 46 6.178 -2.725 3.736 389 HB3 GLU 46 3HB GLU 46 5.084 -3.252 5.008 390 HG2 GLU 46 2HG GLU 46 5.755 -5.505 4.783 391 HG3 GLU 46 3HG GLU 46 6.611 -5.171 3.276 392 H GLN 47 H GLN 47 2.562 -3.524 4.757 393 HA GLN 47 HA GLN 47 2.030 -6.181 5.343 394 HB2 GLN 47 2HB GLN 47 1.154 -4.310 6.670 395 HB3 GLN 47 3HB GLN 47 0.086 -3.862 5.347 396 HG2 GLN 47 2HG GLN 47 -1.144 -5.052 7.044 397 HG3 GLN 47 3HG GLN 47 -1.075 -6.011 5.567 398 HE21 GLN 47 1HE2 GLN 47 -1.381 -7.980 6.552 399 HE22 GLN 47 2HE2 GLN 47 -0.208 -8.696 7.602 400 H ALA 48 H ALA 48 0.418 -4.075 2.971 401 HA ALA 48 HA ALA 48 -1.389 -6.012 2.025 402 HB1 ALA 48 3HB ALA 48 -0.273 -3.627 0.566 403 HB2 ALA 48 1HB ALA 48 -1.678 -3.623 1.632 404 HB3 ALA 48 2HB ALA 48 -1.718 -4.535 0.123 405 H ARG 49 H ARG 49 1.961 -5.365 1.235 406 HA ARG 49 HA ARG 49 1.955 -6.912 -1.169 407 HB2 ARG 49 2HB ARG 49 3.681 -5.173 -0.663 408 HB3 ARG 49 3HB ARG 49 4.328 -6.235 0.584 409 HG2 ARG 49 2HG ARG 49 4.756 -7.945 -1.132 410 HG3 ARG 49 3HG ARG 49 4.178 -6.826 -2.365 411 HD2 ARG 49 2HD ARG 49 6.593 -6.804 -2.306 412 HD3 ARG 49 3HD ARG 49 5.971 -5.255 -1.744 413 HE ARG 49 HE ARG 49 6.975 -5.632 0.264 414 HH11 ARG 49 1HH1 ARG 49 6.572 -8.753 -1.302 415 HH12 ARG 49 2HH1 ARG 49 7.588 -9.585 -0.163 416 HH21 ARG 49 1HH2 ARG 49 8.329 -6.736 1.734 417 HH22 ARG 49 2HH2 ARG 49 8.577 -8.447 1.549 418 H LEU 50 H LEU 50 2.433 -7.560 2.220 419 HA LEU 50 HA LEU 50 3.298 -10.271 1.818 420 HB2 LEU 50 2HB LEU 50 2.785 -8.510 4.112 421 HB3 LEU 50 3HB LEU 50 2.407 -10.200 4.398 422 HG LEU 50 HG LEU 50 4.671 -9.740 5.116 423 HD11 LEU 50 1HD1 LEU 50 4.619 -11.316 2.548 424 HD12 LEU 50 2HD1 LEU 50 4.203 -11.930 4.147 425 HD13 LEU 50 3HD1 LEU 50 5.857 -11.423 3.800 426 HD21 LEU 50 3HD2 LEU 50 5.124 -7.807 3.683 427 HD22 LEU 50 1HD2 LEU 50 5.180 -8.869 2.274 428 HD23 LEU 50 2HD2 LEU 50 6.395 -9.024 3.544 429 H GLU 51 H GLU 51 0.262 -8.619 2.418 430 HA GLU 51 HA GLU 51 -1.456 -10.744 2.860 431 HB2 GLU 51 2HB GLU 51 -1.992 -8.378 1.046 432 HB3 GLU 51 3HB GLU 51 -3.205 -9.397 1.804 433 HG2 GLU 51 2HG GLU 51 -1.243 -7.754 3.375 434 HG3 GLU 51 3HG GLU 51 -2.810 -7.142 2.852 435 H PHE 52 H PHE 52 -0.259 -9.455 -0.231 436 HA PHE 52 HA PHE 52 -1.523 -11.627 -1.687 437 HB2 PHE 52 2HB PHE 52 0.180 -9.313 -2.608 438 HB3 PHE 52 3HB PHE 52 -0.471 -10.542 -3.688 439 HD1 PHE 52 HD1 PHE 52 -3.064 -10.916 -3.493 440 HD2 PHE 52 HD2 PHE 52 -1.016 -7.383 -2.289 441 HE1 PHE 52 HE1 PHE 52 -5.158 -9.636 -3.697 442 HE2 PHE 52 HE2 PHE 52 -3.110 -6.101 -2.488 443 HZ PHE 52 HZ PHE 52 -5.180 -7.226 -3.193 444 H GLY 53 H GLY 53 1.543 -10.877 -0.334 445 HA2 GLY 53 2HA GLY 53 3.191 -12.557 -1.885 446 HA3 GLY 53 3HA GLY 53 3.511 -12.056 -0.230 447 H GLN 54 H GLN 54 1.183 -13.175 0.944 448 HA GLN 54 HA GLN 54 1.762 -16.043 0.676 449 HB2 GLN 54 2HB GLN 54 0.310 -14.516 2.845 450 HB3 GLN 54 3HB GLN 54 0.538 -16.260 2.830 451 HG2 GLN 54 2HG GLN 54 2.745 -14.210 2.913 452 HG3 GLN 54 3HG GLN 54 2.128 -15.112 4.298 453 HE21 GLN 54 1HE2 GLN 54 4.031 -15.250 1.401 454 HE22 GLN 54 2HE2 GLN 54 4.737 -16.800 1.696 455 H LEU 55 H LEU 55 -0.408 -13.721 -0.317 456 HA LEU 55 HA LEU 55 -2.446 -13.704 -1.289 457 HB2 LEU 55 2HB LEU 55 -1.345 -15.626 -2.550 458 HB3 LEU 55 3HB LEU 55 -2.245 -16.702 -1.499 459 HG LEU 55 HG LEU 55 -4.356 -15.764 -2.336 460 HD11 LEU 55 1HD1 LEU 55 -3.569 -13.514 -2.862 461 HD12 LEU 55 2HD1 LEU 55 -4.348 -14.257 -4.260 462 HD13 LEU 55 3HD1 LEU 55 -2.589 -14.157 -4.178 463 HD21 LEU 55 3HD2 LEU 55 -4.236 -16.692 -4.594 464 HD22 LEU 55 1HD2 LEU 55 -3.399 -17.717 -3.428 465 HD23 LEU 55 2HD2 LEU 55 -2.474 -16.674 -4.507 466 H GLU 56 H GLU 56 -2.386 -13.512 1.290 467 HA GLU 56 HA GLU 56 -3.206 -13.937 3.342 468 HB2 GLU 56 2HB GLU 56 -5.652 -13.595 3.462 469 HB3 GLU 56 3HB GLU 56 -4.789 -12.402 2.511 470 HG2 GLU 56 2HG GLU 56 -5.537 -13.525 0.461 471 HG3 GLU 56 3HG GLU 56 -6.432 -14.686 1.446 472 H HIS 57 H HIS 57 -5.824 -15.811 1.832 473 HA HIS 57 HA HIS 57 -6.632 -17.894 2.288 474 HB2 HIS 57 2HB HIS 57 -4.409 -18.606 1.451 475 HB3 HIS 57 3HB HIS 57 -3.750 -18.457 3.071 476 HD1 HIS 57 HD1 HIS 57 -6.059 -20.623 1.015 477 HD2 HIS 57 HD2 HIS 57 -4.113 -20.658 4.694 478 HE1 HIS 57 HE1 HIS 57 -6.333 -22.958 1.910 479 HE2 HIS 57 HE2 HIS 57 -5.241 -22.931 4.185 480 H HIS 58 H HIS 58 -6.306 -15.705 4.339 481 HA HIS 58 HA HIS 58 -6.226 -15.263 6.561 482 HB2 HIS 58 2HB HIS 58 -8.496 -16.494 6.120 483 HB3 HIS 58 3HB HIS 58 -7.761 -17.796 7.053 484 HD1 HIS 58 HD1 HIS 58 -9.248 -17.541 9.111 485 HD2 HIS 58 HD2 HIS 58 -7.302 -14.029 8.034 486 HE1 HIS 58 HE1 HIS 58 -9.613 -15.947 11.025 487 HE2 HIS 58 HE2 HIS 58 -8.604 -13.766 10.253 488 H HIS 59 H HIS 59 -3.930 -15.995 6.062 489 HA HIS 59 HA HIS 59 -2.869 -18.439 6.783 490 HB2 HIS 59 2HB HIS 59 -1.813 -16.375 5.600 491 HB3 HIS 59 3HB HIS 59 -1.368 -15.876 7.226 492 HD1 HIS 59 HD1 HIS 59 -0.565 -18.375 4.567 493 HD2 HIS 59 HD2 HIS 59 0.663 -17.404 8.426 494 HE1 HIS 59 HE1 HIS 59 1.580 -19.626 4.938 495 HE2 HIS 59 HE2 HIS 59 2.371 -18.933 7.226 496 H HIS 60 H HIS 60 -2.268 -19.394 8.630 497 HA HIS 60 HA HIS 60 -3.391 -18.335 11.077 498 HB2 HIS 60 2HB HIS 60 -1.958 -20.929 10.474 499 HB3 HIS 60 3HB HIS 60 -2.673 -20.535 12.030 500 HD1 HIS 60 HD1 HIS 60 -5.023 -21.260 12.350 501 HD2 HIS 60 HD2 HIS 60 -3.984 -21.025 8.328 502 HE1 HIS 60 HE1 HIS 60 -6.992 -22.183 11.083 503 HE2 HIS 60 HE2 HIS 60 -6.303 -22.121 8.659 504 H HIS 61 H HIS 61 -0.842 -17.223 9.802 505 HA HIS 61 HA HIS 61 1.176 -16.386 10.435 506 HB2 HIS 61 2HB HIS 61 0.002 -16.965 13.149 507 HB3 HIS 61 3HB HIS 61 1.631 -16.328 12.976 508 HD1 HIS 61 HD1 HIS 61 1.170 -14.069 14.004 509 HD2 HIS 61 HD2 HIS 61 -1.367 -14.958 10.825 510 HE1 HIS 61 HE1 HIS 61 -0.030 -11.923 13.471 511 HE2 HIS 61 HE2 HIS 61 -1.581 -12.477 11.559 512 H HIS 62 H HIS 62 3.095 -17.118 12.217 513 HA HIS 62 HA HIS 62 3.311 -19.991 12.296 514 HB2 HIS 62 2HB HIS 62 5.579 -19.969 11.171 515 HB3 HIS 62 3HB HIS 62 4.203 -19.749 10.105 516 HD1 HIS 62 HD1 HIS 62 7.373 -18.224 11.125 517 HD2 HIS 62 HD2 HIS 62 3.910 -17.014 9.168 518 HE1 HIS 62 HE1 HIS 62 7.977 -16.090 9.929 519 HE2 HIS 62 HE2 HIS 62 5.830 -15.312 8.854 Start of MODEL 15 1 H1 MET 1 1H MET 1 -8.674 9.233 -5.682 2 H2 MET 1 2H MET 1 -8.862 7.568 -5.430 3 H3 MET 1 3H MET 1 -9.844 8.366 -6.562 4 HA MET 1 HA MET 1 -8.203 7.179 -7.766 5 HB2 MET 1 2HB MET 1 -8.725 9.447 -8.583 6 HB3 MET 1 3HB MET 1 -7.446 10.106 -7.573 7 HG2 MET 1 2HG MET 1 -5.795 8.804 -8.845 8 HG3 MET 1 3HG MET 1 -7.090 8.205 -9.878 9 HE1 MET 1 3HE MET 1 -8.939 10.780 -10.136 10 HE2 MET 1 1HE MET 1 -8.522 9.774 -11.522 11 HE3 MET 1 2HE MET 1 -8.310 11.523 -11.607 12 H ASN 2 H ASN 2 -6.659 9.421 -5.485 13 HA ASN 2 HA ASN 2 -4.830 7.323 -4.695 14 HB2 ASN 2 2HB ASN 2 -2.800 8.536 -5.082 15 HB3 ASN 2 3HB ASN 2 -3.679 8.517 -6.604 16 HD21 ASN 2 1HD2 ASN 2 -2.479 10.454 -4.007 17 HD22 ASN 2 2HD2 ASN 2 -2.842 11.996 -4.707 18 H LEU 3 H LEU 3 -4.250 7.527 -2.595 19 HA LEU 3 HA LEU 3 -5.391 9.781 -1.133 20 HB2 LEU 3 2HB LEU 3 -4.097 7.253 -0.103 21 HB3 LEU 3 3HB LEU 3 -4.895 8.465 0.879 22 HG LEU 3 HG LEU 3 -6.174 6.597 -1.111 23 HD11 LEU 3 1HD1 LEU 3 -5.645 5.655 1.085 24 HD12 LEU 3 2HD1 LEU 3 -7.386 5.782 0.827 25 HD13 LEU 3 3HD1 LEU 3 -6.558 6.953 1.855 26 HD21 LEU 3 3HD2 LEU 3 -7.464 8.828 0.457 27 HD22 LEU 3 1HD2 LEU 3 -8.293 7.654 -0.564 28 HD23 LEU 3 2HD2 LEU 3 -7.190 8.826 -1.287 29 H ARG 4 H ARG 4 -3.863 10.332 0.924 30 HA ARG 4 HA ARG 4 -1.492 11.458 -0.217 31 HB2 ARG 4 2HB ARG 4 -2.708 12.624 1.564 32 HB3 ARG 4 3HB ARG 4 -2.337 11.318 2.682 33 HG2 ARG 4 2HG ARG 4 -0.009 11.825 2.614 34 HG3 ARG 4 3HG ARG 4 -0.247 12.988 1.307 35 HD2 ARG 4 2HD ARG 4 -1.591 14.379 2.795 36 HD3 ARG 4 3HD ARG 4 -1.358 13.218 4.098 37 HE ARG 4 HE ARG 4 1.083 13.748 3.885 38 HH11 ARG 4 1HH1 ARG 4 -1.349 16.049 2.823 39 HH12 ARG 4 2HH1 ARG 4 -0.346 17.440 3.142 40 HH21 ARG 4 1HH2 ARG 4 2.389 15.592 4.305 41 HH22 ARG 4 2HH2 ARG 4 1.759 17.176 3.963 42 H TRP 5 H TRP 5 -0.115 9.937 -0.907 43 HA TRP 5 HA TRP 5 0.675 7.733 0.767 44 HB2 TRP 5 2HB TRP 5 1.589 8.676 -1.950 45 HB3 TRP 5 3HB TRP 5 2.318 7.307 -1.121 46 HD1 TRP 5 HD1 TRP 5 -1.184 8.355 -2.459 47 HE1 TRP 5 HE1 TRP 5 -2.434 6.207 -3.162 48 HE3 TRP 5 HE3 TRP 5 2.296 4.893 -1.021 49 HZ2 TRP 5 HZ2 TRP 5 -1.976 3.431 -3.133 50 HZ3 TRP 5 HZ3 TRP 5 1.817 2.512 -1.407 51 HH2 TRP 5 HH2 TRP 5 -0.278 1.799 -2.440 52 H THR 6 H THR 6 2.202 7.826 2.270 53 HA THR 6 HA THR 6 3.884 10.084 2.614 54 HB THR 6 HB THR 6 5.114 8.573 4.248 55 HG1 THR 6 HG1 THR 6 2.954 6.782 4.008 56 HG21 THR 6 3HG2 THR 6 3.298 8.568 5.874 57 HG22 THR 6 1HG2 THR 6 2.124 8.803 4.580 58 HG23 THR 6 2HG2 THR 6 3.300 10.068 4.944 59 H SER 7 H SER 7 6.248 10.064 2.488 60 HA SER 7 HA SER 7 7.094 9.409 -0.085 61 HB2 SER 7 2HB SER 7 8.889 9.905 2.294 62 HB3 SER 7 3HB SER 7 9.239 10.227 0.593 63 HG SER 7 HG SER 7 7.708 11.861 0.596 64 H GLU 8 H GLU 8 7.494 7.691 2.973 65 HA GLU 8 HA GLU 8 9.221 5.687 1.880 66 HB2 GLU 8 2HB GLU 8 7.599 5.796 4.418 67 HB3 GLU 8 3HB GLU 8 8.661 4.456 4.004 68 HG2 GLU 8 2HG GLU 8 10.564 5.980 3.939 69 HG3 GLU 8 3HG GLU 8 9.497 7.323 4.350 70 H ALA 9 H ALA 9 5.735 5.974 2.371 71 HA ALA 9 HA ALA 9 5.074 3.298 1.755 72 HB1 ALA 9 3HB ALA 9 3.492 4.849 2.812 73 HB2 ALA 9 1HB ALA 9 2.820 4.120 1.355 74 HB3 ALA 9 2HB ALA 9 3.412 5.779 1.315 75 H LYS 10 H LYS 10 5.391 6.199 -0.241 76 HA LYS 10 HA LYS 10 4.683 5.123 -2.717 77 HB2 LYS 10 2HB LYS 10 6.779 7.230 -2.126 78 HB3 LYS 10 3HB LYS 10 6.036 6.938 -3.694 79 HG2 LYS 10 2HG LYS 10 3.866 7.571 -2.808 80 HG3 LYS 10 3HG LYS 10 4.576 7.823 -1.213 81 HD2 LYS 10 2HD LYS 10 4.298 9.951 -2.343 82 HD3 LYS 10 3HD LYS 10 6.017 9.588 -2.164 83 HE2 LYS 10 2HE LYS 10 6.139 8.856 -4.460 84 HE3 LYS 10 3HE LYS 10 4.400 9.069 -4.654 85 HZ1 LYS 10 3HZ LYS 10 6.335 11.240 -4.070 86 HZ2 LYS 10 1HZ LYS 10 4.667 11.431 -4.320 87 HZ3 LYS 10 2HZ LYS 10 5.663 10.910 -5.588 88 H THR 11 H THR 11 7.828 5.248 -1.100 89 HA THR 11 HA THR 11 9.308 3.970 -3.129 90 HB THR 11 HB THR 11 9.864 4.004 -0.153 91 HG1 THR 11 HG1 THR 11 9.917 6.106 -0.614 92 HG21 THR 11 3HG2 THR 11 12.211 3.761 -0.828 93 HG22 THR 11 1HG2 THR 11 11.715 3.645 -2.516 94 HG23 THR 11 2HG2 THR 11 11.243 2.391 -1.370 95 H LYS 12 H LYS 12 7.638 2.726 -0.253 96 HA LYS 12 HA LYS 12 8.340 0.023 -0.525 97 HB2 LYS 12 2HB LYS 12 5.916 1.351 0.683 98 HB3 LYS 12 3HB LYS 12 6.170 -0.386 0.742 99 HG2 LYS 12 2HG LYS 12 8.158 1.595 1.813 100 HG3 LYS 12 3HG LYS 12 6.861 0.896 2.784 101 HD2 LYS 12 2HD LYS 12 7.732 -1.356 2.287 102 HD3 LYS 12 3HD LYS 12 9.053 -0.626 1.371 103 HE2 LYS 12 2HE LYS 12 9.903 0.445 3.344 104 HE3 LYS 12 3HE LYS 12 8.503 -0.072 4.281 105 HZ1 LYS 12 3HZ LYS 12 10.411 -1.460 4.732 106 HZ2 LYS 12 1HZ LYS 12 10.553 -1.860 3.091 107 HZ3 LYS 12 2HZ LYS 12 9.196 -2.372 3.974 108 H LEU 13 H LEU 13 5.633 1.859 -1.886 109 HA LEU 13 HA LEU 13 4.267 -0.267 -3.092 110 HB2 LEU 13 2HB LEU 13 3.337 1.991 -2.828 111 HB3 LEU 13 3HB LEU 13 4.486 2.603 -4.002 112 HG LEU 13 HG LEU 13 3.430 1.139 -5.724 113 HD11 LEU 13 1HD1 LEU 13 1.385 0.663 -3.562 114 HD12 LEU 13 2HD1 LEU 13 2.481 -0.539 -4.243 115 HD13 LEU 13 3HD1 LEU 13 1.231 0.185 -5.254 116 HD21 LEU 13 3HD2 LEU 13 2.831 3.498 -5.520 117 HD22 LEU 13 1HD2 LEU 13 1.581 3.083 -4.345 118 HD23 LEU 13 2HD2 LEU 13 1.444 2.527 -6.014 119 H LYS 14 H LYS 14 6.976 1.671 -4.202 120 HA LYS 14 HA LYS 14 7.006 0.645 -6.859 121 HB2 LYS 14 2HB LYS 14 9.141 2.052 -5.249 122 HB3 LYS 14 3HB LYS 14 9.241 1.722 -6.975 123 HG2 LYS 14 2HG LYS 14 7.443 3.180 -7.453 124 HG3 LYS 14 3HG LYS 14 7.015 3.319 -5.746 125 HD2 LYS 14 2HD LYS 14 9.124 4.471 -5.307 126 HD3 LYS 14 3HD LYS 14 9.566 4.316 -7.010 127 HE2 LYS 14 2HE LYS 14 7.710 5.700 -7.668 128 HE3 LYS 14 3HE LYS 14 7.110 5.749 -6.010 129 HZ1 LYS 14 3HZ LYS 14 8.338 7.764 -6.718 130 HZ2 LYS 14 1HZ LYS 14 9.748 6.826 -6.843 131 HZ3 LYS 14 2HZ LYS 14 8.988 7.016 -5.338 132 H ASN 15 H ASN 15 7.818 -0.740 -3.930 133 HA ASN 15 HA ASN 15 9.792 -2.552 -5.097 134 HB2 ASN 15 2HB ASN 15 8.885 -1.976 -2.299 135 HB3 ASN 15 3HB ASN 15 9.662 -3.518 -2.661 136 HD21 ASN 15 1HD2 ASN 15 10.078 -0.048 -2.566 137 HD22 ASN 15 2HD2 ASN 15 11.813 -0.068 -2.607 138 H ILE 16 H ILE 16 6.559 -2.284 -5.053 139 HA ILE 16 HA ILE 16 6.037 -5.156 -4.897 140 HB ILE 16 HB ILE 16 4.137 -2.855 -5.413 141 HG12 ILE 16 2HG1 ILE 16 4.623 -4.478 -2.906 142 HG13 ILE 16 3HG1 ILE 16 5.122 -2.809 -3.160 143 HG21 ILE 16 1HG2 ILE 16 3.574 -5.764 -4.853 144 HG22 ILE 16 2HG2 ILE 16 3.319 -4.922 -6.382 145 HG23 ILE 16 3HG2 ILE 16 2.360 -4.487 -4.968 146 HD11 ILE 16 3HD1 ILE 16 2.793 -2.128 -3.306 147 HD12 ILE 16 1HD1 ILE 16 3.122 -2.961 -1.786 148 HD13 ILE 16 2HD1 ILE 16 2.283 -3.805 -3.090 149 HA PRO 17 HA PRO 17 6.790 -5.815 -9.247 150 HB2 PRO 17 2HB PRO 17 4.494 -7.699 -8.911 151 HB3 PRO 17 3HB PRO 17 6.080 -7.975 -9.643 152 HG2 PRO 17 2HG PRO 17 5.540 -8.895 -7.207 153 HG3 PRO 17 3HG PRO 17 7.135 -8.222 -7.593 154 HD2 PRO 17 2HD PRO 17 4.908 -7.033 -6.012 155 HD3 PRO 17 3HD PRO 17 6.661 -6.850 -5.812 156 H PHE 18 H PHE 18 5.969 -5.098 -11.148 157 HA PHE 18 HA PHE 18 4.159 -3.032 -11.164 158 HB2 PHE 18 2HB PHE 18 5.792 -3.437 -12.950 159 HB3 PHE 18 3HB PHE 18 4.871 -4.840 -13.482 160 HD1 PHE 18 HD2 PHE 18 4.735 -1.158 -13.117 161 HD2 PHE 18 HD1 PHE 18 3.072 -4.612 -14.966 162 HE1 PHE 18 HE2 PHE 18 3.420 0.283 -14.615 163 HE2 PHE 18 HE1 PHE 18 1.751 -3.177 -16.465 164 HZ PHE 18 HZ PHE 18 1.924 -0.727 -16.291 165 H PHE 19 H PHE 19 3.515 -6.398 -12.070 166 HA PHE 19 HA PHE 19 0.929 -6.056 -13.057 167 HB2 PHE 19 2HB PHE 19 2.109 -8.084 -13.491 168 HB3 PHE 19 3HB PHE 19 2.284 -8.425 -11.776 169 HD1 PHE 19 HD2 PHE 19 -0.283 -8.066 -14.445 170 HD2 PHE 19 HD1 PHE 19 0.757 -9.786 -10.692 171 HE1 PHE 19 HE2 PHE 19 -2.336 -9.421 -14.502 172 HE2 PHE 19 HE1 PHE 19 -1.296 -11.145 -10.742 173 HZ PHE 19 HZ PHE 19 -2.845 -10.964 -12.649 174 H ALA 20 H ALA 20 2.054 -6.293 -9.758 175 HA ALA 20 HA ALA 20 -0.749 -6.352 -8.864 176 HB1 ALA 20 3HB ALA 20 0.555 -8.339 -8.203 177 HB2 ALA 20 1HB ALA 20 -0.025 -7.410 -6.821 178 HB3 ALA 20 2HB ALA 20 1.662 -7.290 -7.316 179 H ARG 21 H ARG 21 1.727 -4.259 -9.288 180 HA ARG 21 HA ARG 21 1.785 -2.883 -6.814 181 HB2 ARG 21 2HB ARG 21 3.591 -2.471 -8.295 182 HB3 ARG 21 3HB ARG 21 2.515 -2.051 -9.622 183 HG2 ARG 21 2HG ARG 21 2.165 0.066 -8.853 184 HG3 ARG 21 3HG ARG 21 2.409 -0.387 -7.166 185 HD2 ARG 21 2HD ARG 21 4.201 1.067 -8.060 186 HD3 ARG 21 3HD ARG 21 4.789 -0.488 -7.480 187 HE ARG 21 HE ARG 21 4.984 -1.169 -9.814 188 HH11 ARG 21 1HH1 ARG 21 4.547 2.262 -9.231 189 HH12 ARG 21 2HH1 ARG 21 5.453 2.742 -10.639 190 HH21 ARG 21 1HH2 ARG 21 6.187 -0.540 -11.649 191 HH22 ARG 21 2HH2 ARG 21 6.356 1.154 -12.025 192 H SER 22 H SER 22 -0.191 -2.513 -9.717 193 HA SER 22 HA SER 22 -1.629 -0.262 -8.731 194 HB2 SER 22 2HB SER 22 -3.282 -1.078 -10.581 195 HB3 SER 22 3HB SER 22 -1.698 -0.453 -11.048 196 HG SER 22 HG SER 22 -1.805 -2.316 -12.130 197 H GLN 23 H GLN 23 -2.192 -3.751 -8.756 198 HA GLN 23 HA GLN 23 -4.760 -3.723 -7.606 199 HB2 GLN 23 2HB GLN 23 -3.925 -5.722 -8.682 200 HB3 GLN 23 3HB GLN 23 -2.588 -5.826 -7.544 201 HG2 GLN 23 2HG GLN 23 -4.246 -7.460 -6.979 202 HG3 GLN 23 3HG GLN 23 -4.202 -6.221 -5.728 203 HE21 GLN 23 1HE2 GLN 23 -5.754 -5.925 -8.875 204 HE22 GLN 23 2HE2 GLN 23 -7.375 -5.820 -8.267 205 H ALA 24 H ALA 24 -1.536 -4.054 -6.137 206 HA ALA 24 HA ALA 24 -2.403 -4.270 -3.474 207 HB1 ALA 24 3HB ALA 24 0.202 -3.160 -4.507 208 HB2 ALA 24 1HB ALA 24 -0.141 -4.859 -4.184 209 HB3 ALA 24 2HB ALA 24 -0.115 -3.697 -2.857 210 H LYS 25 H LYS 25 -1.488 -1.452 -5.426 211 HA LYS 25 HA LYS 25 -1.629 0.539 -3.523 212 HB2 LYS 25 2HB LYS 25 -0.892 1.027 -5.765 213 HB3 LYS 25 3HB LYS 25 -2.467 0.603 -6.426 214 HG2 LYS 25 2HG LYS 25 -3.465 2.506 -5.281 215 HG3 LYS 25 3HG LYS 25 -1.894 2.926 -4.601 216 HD2 LYS 25 2HD LYS 25 -1.015 3.239 -6.875 217 HD3 LYS 25 3HD LYS 25 -2.610 2.860 -7.529 218 HE2 LYS 25 2HE LYS 25 -1.957 5.166 -5.696 219 HE3 LYS 25 3HE LYS 25 -2.213 5.277 -7.434 220 HZ1 LYS 25 3HZ LYS 25 -4.180 4.784 -5.297 221 HZ2 LYS 25 1HZ LYS 25 -4.481 4.178 -6.857 222 HZ3 LYS 25 2HZ LYS 25 -4.270 5.839 -6.621 223 H ALA 26 H ALA 26 -4.258 -0.887 -5.413 224 HA ALA 26 HA ALA 26 -6.338 0.722 -4.457 225 HB1 ALA 26 3HB ALA 26 -7.832 -1.070 -5.210 226 HB2 ALA 26 1HB ALA 26 -6.448 -2.148 -5.386 227 HB3 ALA 26 2HB ALA 26 -6.589 -0.719 -6.408 228 H ARG 27 H ARG 27 -4.999 -2.321 -3.237 229 HA ARG 27 HA ARG 27 -6.902 -2.622 -1.152 230 HB2 ARG 27 2HB ARG 27 -4.118 -3.783 -1.416 231 HB3 ARG 27 3HB ARG 27 -5.333 -4.310 -0.260 232 HG2 ARG 27 2HG ARG 27 -5.637 -4.443 -3.255 233 HG3 ARG 27 3HG ARG 27 -5.157 -5.790 -2.221 234 HD2 ARG 27 2HD ARG 27 -7.617 -4.391 -1.423 235 HD3 ARG 27 3HD ARG 27 -7.707 -5.263 -2.950 236 HE ARG 27 HE ARG 27 -6.562 -6.893 -0.928 237 HH11 ARG 27 1HH1 ARG 27 -9.625 -5.575 -2.009 238 HH12 ARG 27 2HH1 ARG 27 -10.559 -6.896 -1.367 239 HH21 ARG 27 1HH2 ARG 27 -7.781 -8.643 -0.110 240 HH22 ARG 27 2HH2 ARG 27 -9.521 -8.628 -0.268 241 H ILE 28 H ILE 28 -3.702 -1.144 -1.356 242 HA ILE 28 HA ILE 28 -3.306 -0.679 1.385 243 HB ILE 28 HB ILE 28 -2.299 0.923 -0.973 244 HG12 ILE 28 2HG1 ILE 28 -0.881 -1.197 0.648 245 HG13 ILE 28 3HG1 ILE 28 -1.707 -1.528 -0.868 246 HG21 ILE 28 1HG2 ILE 28 -1.399 0.906 1.907 247 HG22 ILE 28 2HG2 ILE 28 -2.136 2.251 1.036 248 HG23 ILE 28 3HG2 ILE 28 -0.529 1.682 0.586 249 HD11 ILE 28 3HD1 ILE 28 0.675 -1.282 -1.205 250 HD12 ILE 28 1HD1 ILE 28 0.626 0.328 -0.488 251 HD13 ILE 28 2HD1 ILE 28 -0.204 0.018 -2.014 252 H GLU 29 H GLU 29 -4.750 1.400 -1.117 253 HA GLU 29 HA GLU 29 -5.268 3.555 0.651 254 HB2 GLU 29 2HB GLU 29 -6.586 2.892 -1.993 255 HB3 GLU 29 3HB GLU 29 -6.690 4.437 -1.154 256 HG2 GLU 29 2HG GLU 29 -4.233 4.658 -1.342 257 HG3 GLU 29 3HG GLU 29 -4.203 3.171 -2.285 258 H GLN 30 H GLN 30 -7.021 0.650 -0.171 259 HA GLN 30 HA GLN 30 -9.442 1.435 1.147 260 HB2 GLN 30 2HB GLN 30 -8.399 -1.278 0.335 261 HB3 GLN 30 3HB GLN 30 -9.997 -0.997 1.011 262 HG2 GLN 30 2HG GLN 30 -8.951 0.228 -1.519 263 HG3 GLN 30 3HG GLN 30 -10.005 -1.182 -1.434 264 HE21 GLN 30 1HE2 GLN 30 -12.147 -0.911 -0.828 265 HE22 GLN 30 2HE2 GLN 30 -12.924 0.634 -0.853 266 H LEU 31 H LEU 31 -6.520 -0.305 2.061 267 HA LEU 31 HA LEU 31 -7.321 -1.021 4.669 268 HB2 LEU 31 2HB LEU 31 -4.582 -0.402 3.554 269 HB3 LEU 31 3HB LEU 31 -4.861 -1.072 5.150 270 HG LEU 31 HG LEU 31 -5.667 -2.426 2.576 271 HD11 LEU 31 1HD1 LEU 31 -3.288 -2.933 4.356 272 HD12 LEU 31 2HD1 LEU 31 -3.249 -2.274 2.721 273 HD13 LEU 31 3HD1 LEU 31 -3.785 -3.931 2.989 274 HD21 LEU 31 3HD2 LEU 31 -5.976 -4.386 4.007 275 HD22 LEU 31 1HD2 LEU 31 -7.035 -3.060 4.484 276 HD23 LEU 31 2HD2 LEU 31 -5.586 -3.412 5.423 277 H ALA 32 H ALA 32 -5.976 1.907 3.283 278 HA ALA 32 HA ALA 32 -5.643 3.324 5.710 279 HB1 ALA 32 3HB ALA 32 -6.195 4.422 2.954 280 HB2 ALA 32 1HB ALA 32 -4.605 4.006 3.592 281 HB3 ALA 32 2HB ALA 32 -5.531 5.315 4.324 282 H ARG 33 H ARG 33 -8.360 2.970 3.457 283 HA ARG 33 HA ARG 33 -10.077 4.737 4.878 284 HB2 ARG 33 2HB ARG 33 -10.615 2.549 2.871 285 HB3 ARG 33 3HB ARG 33 -11.889 3.553 3.556 286 HG2 ARG 33 2HG ARG 33 -9.504 4.594 2.038 287 HG3 ARG 33 3HG ARG 33 -11.119 4.359 1.367 288 HD2 ARG 33 2HD ARG 33 -12.043 6.051 2.684 289 HD3 ARG 33 3HD ARG 33 -10.691 6.032 3.812 290 HE ARG 33 HE ARG 33 -9.720 6.798 1.310 291 HH11 ARG 33 1HH1 ARG 33 -11.912 7.996 3.760 292 HH12 ARG 33 2HH1 ARG 33 -11.532 9.672 3.469 293 HH21 ARG 33 1HH2 ARG 33 -9.206 9.014 0.927 294 HH22 ARG 33 2HH2 ARG 33 -9.984 10.245 1.872 295 H GLN 34 H GLN 34 -9.207 1.397 5.272 296 HA GLN 34 HA GLN 34 -11.306 0.797 7.139 297 HB2 GLN 34 2HB GLN 34 -10.007 -0.915 5.789 298 HB3 GLN 34 3HB GLN 34 -8.651 -0.622 6.871 299 HG2 GLN 34 2HG GLN 34 -9.995 -1.346 8.768 300 HG3 GLN 34 3HG GLN 34 -11.368 -1.614 7.700 301 HE21 GLN 34 1HE2 GLN 34 -8.014 -2.390 6.951 302 HE22 GLN 34 2HE2 GLN 34 -8.246 -4.107 6.902 303 H ALA 35 H ALA 35 -8.087 2.103 7.261 304 HA ALA 35 HA ALA 35 -7.983 2.143 10.156 305 HB1 ALA 35 3HB ALA 35 -5.935 1.838 8.844 306 HB2 ALA 35 1HB ALA 35 -5.849 3.276 9.857 307 HB3 ALA 35 2HB ALA 35 -6.159 3.433 8.127 308 H GLU 36 H GLU 36 -9.488 3.898 7.793 309 HA GLU 36 HA GLU 36 -10.736 5.780 7.786 310 HB2 GLU 36 2HB GLU 36 -10.238 5.727 10.768 311 HB3 GLU 36 3HB GLU 36 -11.446 6.714 9.954 312 HG2 GLU 36 2HG GLU 36 -12.636 4.762 9.230 313 HG3 GLU 36 3HG GLU 36 -11.374 3.709 9.867 314 H GLN 37 H GLN 37 -8.059 6.046 7.125 315 HA GLN 37 HA GLN 37 -7.721 8.882 7.714 316 HB2 GLN 37 2HB GLN 37 -5.329 8.647 8.161 317 HB3 GLN 37 3HB GLN 37 -6.275 7.749 9.339 318 HG2 GLN 37 2HG GLN 37 -5.827 5.685 8.011 319 HG3 GLN 37 3HG GLN 37 -4.730 6.636 7.012 320 HE21 GLN 37 1HE2 GLN 37 -2.909 5.507 7.585 321 HE22 GLN 37 2HE2 GLN 37 -2.214 5.567 9.171 322 H ASP 38 H ASP 38 -6.370 9.975 6.142 323 HA ASP 38 HA ASP 38 -6.708 8.746 3.513 324 HB2 ASP 38 2HB ASP 38 -7.492 11.067 3.928 325 HB3 ASP 38 3HB ASP 38 -5.831 11.550 4.245 326 H ILE 39 H ILE 39 -4.274 9.458 5.792 327 HA ILE 39 HA ILE 39 -2.101 9.459 3.877 328 HB ILE 39 HB ILE 39 -1.932 9.416 6.891 329 HG12 ILE 39 2HG1 ILE 39 -1.915 11.829 5.071 330 HG13 ILE 39 3HG1 ILE 39 -3.308 11.318 6.016 331 HG21 ILE 39 1HG2 ILE 39 0.138 8.838 5.741 332 HG22 ILE 39 2HG2 ILE 39 0.276 10.416 6.515 333 HG23 ILE 39 3HG2 ILE 39 0.026 10.309 4.773 334 HD11 ILE 39 3HD1 ILE 39 -2.052 11.658 8.066 335 HD12 ILE 39 1HD1 ILE 39 -2.103 13.129 7.098 336 HD13 ILE 39 2HD1 ILE 39 -0.641 12.147 7.129 337 H VAL 40 H VAL 40 -1.306 7.589 3.118 338 HA VAL 40 HA VAL 40 -1.653 5.162 4.710 339 HB VAL 40 HB VAL 40 -1.103 3.881 2.804 340 HG11 VAL 40 1HG1 VAL 40 -3.314 4.881 2.699 341 HG12 VAL 40 2HG1 VAL 40 -2.639 4.677 1.084 342 HG13 VAL 40 3HG1 VAL 40 -2.657 6.272 1.839 343 HG21 VAL 40 3HG2 VAL 40 -0.153 6.393 1.450 344 HG22 VAL 40 1HG2 VAL 40 -0.202 4.786 0.731 345 HG23 VAL 40 2HG2 VAL 40 0.881 5.115 2.086 346 H THR 41 H THR 41 -0.002 4.039 5.610 347 HA THR 41 HA THR 41 2.622 5.350 5.591 348 HB THR 41 HB THR 41 3.021 3.937 7.653 349 HG1 THR 41 HG1 THR 41 0.803 3.347 8.603 350 HG21 THR 41 3HG2 THR 41 1.666 5.385 9.118 351 HG22 THR 41 1HG2 THR 41 0.723 5.900 7.719 352 HG23 THR 41 2HG2 THR 41 2.438 6.298 7.823 353 HA PRO 42 HA PRO 42 4.626 1.905 3.606 354 HB2 PRO 42 2HB PRO 42 6.697 1.395 5.384 355 HB3 PRO 42 3HB PRO 42 6.737 2.601 4.096 356 HG2 PRO 42 2HG PRO 42 6.180 2.948 7.005 357 HG3 PRO 42 3HG PRO 42 7.076 4.003 5.899 358 HD2 PRO 42 2HD PRO 42 4.569 4.573 6.679 359 HD3 PRO 42 3HD PRO 42 5.144 4.949 5.039 360 H GLU 43 H GLU 43 3.682 1.728 6.947 361 HA GLU 43 HA GLU 43 3.981 -1.002 7.474 362 HB2 GLU 43 2HB GLU 43 1.718 0.774 8.416 363 HB3 GLU 43 3HB GLU 43 2.307 -0.684 9.197 364 HG2 GLU 43 2HG GLU 43 3.892 1.849 8.857 365 HG3 GLU 43 3HG GLU 43 3.017 1.389 10.317 366 H LEU 44 H LEU 44 1.261 0.805 6.109 367 HA LEU 44 HA LEU 44 -0.430 -1.440 5.732 368 HB2 LEU 44 2HB LEU 44 -0.431 1.406 4.844 369 HB3 LEU 44 3HB LEU 44 -1.492 0.282 4.017 370 HG LEU 44 HG LEU 44 -2.634 -0.233 6.096 371 HD11 LEU 44 1HD1 LEU 44 -0.764 -0.019 7.646 372 HD12 LEU 44 2HD1 LEU 44 -2.138 0.961 8.165 373 HD13 LEU 44 3HD1 LEU 44 -0.750 1.728 7.395 374 HD21 LEU 44 3HD2 LEU 44 -3.453 1.634 4.806 375 HD22 LEU 44 1HD2 LEU 44 -2.329 2.722 5.617 376 HD23 LEU 44 2HD2 LEU 44 -3.638 1.970 6.528 377 H VAL 45 H VAL 45 1.799 0.309 3.609 378 HA VAL 45 HA VAL 45 1.213 -1.115 1.245 379 HB VAL 45 HB VAL 45 3.896 0.058 1.995 380 HG11 VAL 45 1HG1 VAL 45 4.190 0.306 -0.424 381 HG12 VAL 45 2HG1 VAL 45 2.627 -0.464 -0.694 382 HG13 VAL 45 3HG1 VAL 45 3.948 -1.382 0.028 383 HG21 VAL 45 3HG2 VAL 45 2.113 1.708 2.306 384 HG22 VAL 45 1HG2 VAL 45 1.553 1.413 0.658 385 HG23 VAL 45 2HG2 VAL 45 3.145 2.121 0.937 386 H GLU 46 H GLU 46 3.611 -1.656 3.794 387 HA GLU 46 HA GLU 46 4.848 -3.937 2.771 388 HB2 GLU 46 2HB GLU 46 5.420 -2.541 4.871 389 HB3 GLU 46 3HB GLU 46 4.248 -3.557 5.698 390 HG2 GLU 46 2HG GLU 46 6.417 -4.442 6.101 391 HG3 GLU 46 3HG GLU 46 5.563 -5.541 5.018 392 H GLN 47 H GLN 47 2.105 -3.657 5.018 393 HA GLN 47 HA GLN 47 1.469 -6.329 5.309 394 HB2 GLN 47 2HB GLN 47 0.200 -3.796 5.822 395 HB3 GLN 47 3HB GLN 47 -0.985 -4.955 5.231 396 HG2 GLN 47 2HG GLN 47 0.885 -5.429 7.538 397 HG3 GLN 47 3HG GLN 47 -0.794 -4.916 7.685 398 HE21 GLN 47 1HE2 GLN 47 -1.720 -6.572 5.496 399 HE22 GLN 47 2HE2 GLN 47 -1.709 -8.203 6.067 400 H ALA 48 H ALA 48 0.299 -4.069 2.819 401 HA ALA 48 HA ALA 48 -1.450 -5.859 1.552 402 HB1 ALA 48 3HB ALA 48 -1.464 -3.442 1.144 403 HB2 ALA 48 1HB ALA 48 -1.369 -4.364 -0.357 404 HB3 ALA 48 2HB ALA 48 0.074 -3.584 0.293 405 H ARG 49 H ARG 49 2.025 -5.288 1.099 406 HA ARG 49 HA ARG 49 2.189 -7.009 -1.199 407 HB2 ARG 49 2HB ARG 49 3.801 -5.155 -0.789 408 HB3 ARG 49 3HB ARG 49 4.418 -6.035 0.605 409 HG2 ARG 49 2HG ARG 49 5.153 -7.848 -0.835 410 HG3 ARG 49 3HG ARG 49 4.483 -7.020 -2.241 411 HD2 ARG 49 2HD ARG 49 6.881 -6.685 -2.117 412 HD3 ARG 49 3HD ARG 49 6.032 -5.160 -1.878 413 HE ARG 49 HE ARG 49 6.438 -6.072 0.651 414 HH11 ARG 49 1HH1 ARG 49 8.570 -5.553 -2.086 415 HH12 ARG 49 2HH1 ARG 49 9.946 -5.166 -1.096 416 HH21 ARG 49 1HH2 ARG 49 8.235 -5.521 1.939 417 HH22 ARG 49 2HH2 ARG 49 9.758 -5.156 1.173 418 H LEU 50 H LEU 50 2.495 -7.314 2.239 419 HA LEU 50 HA LEU 50 3.648 -9.896 2.342 420 HB2 LEU 50 2HB LEU 50 3.098 -8.007 4.172 421 HB3 LEU 50 3HB LEU 50 1.712 -9.047 4.430 422 HG LEU 50 HG LEU 50 3.514 -9.552 6.002 423 HD11 LEU 50 1HD1 LEU 50 3.697 -11.972 5.595 424 HD12 LEU 50 2HD1 LEU 50 3.037 -11.727 3.975 425 HD13 LEU 50 3HD1 LEU 50 2.051 -11.369 5.393 426 HD21 LEU 50 3HD2 LEU 50 5.624 -10.506 5.222 427 HD22 LEU 50 1HD2 LEU 50 5.398 -8.863 4.619 428 HD23 LEU 50 2HD2 LEU 50 5.127 -10.241 3.550 429 H GLU 51 H GLU 51 0.315 -8.714 2.288 430 HA GLU 51 HA GLU 51 -1.083 -11.092 2.563 431 HB2 GLU 51 2HB GLU 51 -1.763 -8.714 0.815 432 HB3 GLU 51 3HB GLU 51 -2.889 -9.987 1.261 433 HG2 GLU 51 2HG GLU 51 -1.519 -8.111 3.173 434 HG3 GLU 51 3HG GLU 51 -3.185 -7.974 2.610 435 H PHE 52 H PHE 52 -0.104 -9.517 -0.482 436 HA PHE 52 HA PHE 52 -0.928 -11.708 -2.100 437 HB2 PHE 52 2HB PHE 52 0.900 -9.377 -2.709 438 HB3 PHE 52 3HB PHE 52 0.359 -10.545 -3.913 439 HD1 PHE 52 HD2 PHE 52 -2.219 -10.838 -4.122 440 HD2 PHE 52 HD1 PHE 52 -0.332 -7.457 -2.360 441 HE1 PHE 52 HE2 PHE 52 -4.264 -9.517 -4.478 442 HE2 PHE 52 HE1 PHE 52 -2.373 -6.129 -2.710 443 HZ PHE 52 HZ PHE 52 -4.345 -7.159 -3.768 444 H GLY 53 H GLY 53 2.008 -10.915 -0.433 445 HA2 GLY 53 2HA GLY 53 3.744 -12.681 -1.821 446 HA3 GLY 53 3HA GLY 53 4.011 -12.015 -0.215 447 H GLN 54 H GLN 54 1.456 -13.140 0.778 448 HA GLN 54 HA GLN 54 2.413 -15.832 1.308 449 HB2 GLN 54 2HB GLN 54 0.063 -14.285 2.413 450 HB3 GLN 54 3HB GLN 54 0.481 -15.921 2.896 451 HG2 GLN 54 2HG GLN 54 2.295 -13.542 3.195 452 HG3 GLN 54 3HG GLN 54 1.252 -14.173 4.466 453 HE21 GLN 54 1HE2 GLN 54 2.984 -14.608 5.798 454 HE22 GLN 54 2HE2 GLN 54 4.067 -15.931 5.523 455 H LEU 55 H LEU 55 -0.176 -14.215 -0.396 456 HA LEU 55 HA LEU 55 -1.733 -16.500 -0.972 457 HB2 LEU 55 2HB LEU 55 -1.428 -13.920 -2.513 458 HB3 LEU 55 3HB LEU 55 -2.653 -15.132 -2.831 459 HG LEU 55 HG LEU 55 -2.387 -13.541 -0.283 460 HD11 LEU 55 1HD1 LEU 55 -4.469 -12.469 -1.021 461 HD12 LEU 55 2HD1 LEU 55 -4.367 -13.351 -2.545 462 HD13 LEU 55 3HD1 LEU 55 -3.132 -12.161 -2.130 463 HD21 LEU 55 3HD2 LEU 55 -4.470 -15.538 -1.160 464 HD22 LEU 55 1HD2 LEU 55 -4.564 -14.528 0.282 465 HD23 LEU 55 2HD2 LEU 55 -3.299 -15.747 0.143 466 H GLU 56 H GLU 56 0.709 -14.772 -2.874 467 HA GLU 56 HA GLU 56 2.109 -15.373 -4.535 468 HB2 GLU 56 2HB GLU 56 1.531 -18.188 -3.600 469 HB3 GLU 56 3HB GLU 56 2.792 -17.749 -4.742 470 HG2 GLU 56 2HG GLU 56 3.796 -16.311 -2.973 471 HG3 GLU 56 3HG GLU 56 2.601 -16.957 -1.850 472 H HIS 57 H HIS 57 -0.298 -17.988 -4.627 473 HA HIS 57 HA HIS 57 -0.727 -17.399 -7.473 474 HB2 HIS 57 2HB HIS 57 -1.770 -19.683 -7.537 475 HB3 HIS 57 3HB HIS 57 -0.064 -19.683 -7.115 476 HD1 HIS 57 HD1 HIS 57 0.593 -20.798 -4.980 477 HD2 HIS 57 HD2 HIS 57 -3.516 -20.176 -5.250 478 HE1 HIS 57 HE1 HIS 57 -0.413 -22.033 -3.033 479 HE2 HIS 57 HE2 HIS 57 -2.882 -21.545 -3.143 480 H HIS 58 H HIS 58 -2.816 -17.133 -8.295 481 HA HIS 58 HA HIS 58 -4.721 -15.956 -6.582 482 HB2 HIS 58 2HB HIS 58 -6.288 -16.139 -8.556 483 HB3 HIS 58 3HB HIS 58 -4.786 -15.282 -8.856 484 HD1 HIS 58 HD1 HIS 58 -3.250 -16.197 -10.657 485 HD2 HIS 58 HD2 HIS 58 -6.507 -18.664 -9.873 486 HE1 HIS 58 HE1 HIS 58 -3.274 -17.901 -12.505 487 HE2 HIS 58 HE2 HIS 58 -5.361 -19.258 -12.110 488 H HIS 59 H HIS 59 -5.735 -16.977 -5.034 489 HA HIS 59 HA HIS 59 -5.891 -19.788 -4.894 490 HB2 HIS 59 2HB HIS 59 -5.719 -18.246 -2.937 491 HB3 HIS 59 3HB HIS 59 -7.393 -17.776 -3.208 492 HD1 HIS 59 HD1 HIS 59 -5.273 -20.524 -1.841 493 HD2 HIS 59 HD2 HIS 59 -9.304 -19.683 -2.424 494 HE1 HIS 59 HE1 HIS 59 -6.524 -22.226 -0.487 495 HE2 HIS 59 HE2 HIS 59 -8.929 -21.506 -0.628 496 H HIS 60 H HIS 60 -8.671 -17.526 -4.780 497 HA HIS 60 HA HIS 60 -10.243 -19.673 -6.051 498 HB2 HIS 60 2HB HIS 60 -10.850 -18.882 -3.692 499 HB3 HIS 60 3HB HIS 60 -11.373 -17.380 -4.444 500 HD1 HIS 60 HD1 HIS 60 -12.523 -20.712 -3.570 501 HD2 HIS 60 HD2 HIS 60 -13.571 -17.800 -6.348 502 HE1 HIS 60 HE1 HIS 60 -14.830 -21.326 -4.363 503 HE2 HIS 60 HE2 HIS 60 -15.342 -19.677 -6.197 504 H HIS 61 H HIS 61 -9.689 -16.192 -5.969 505 HA HIS 61 HA HIS 61 -9.903 -14.544 -7.508 506 HB2 HIS 61 2HB HIS 61 -8.820 -16.129 -9.080 507 HB3 HIS 61 3HB HIS 61 -10.407 -16.747 -9.523 508 HD1 HIS 61 HD1 HIS 61 -8.251 -13.666 -9.842 509 HD2 HIS 61 HD2 HIS 61 -11.769 -15.246 -11.412 510 HE1 HIS 61 HE1 HIS 61 -8.870 -12.172 -11.773 511 HE2 HIS 61 HE2 HIS 61 -10.948 -13.199 -12.769 512 H HIS 62 H HIS 62 -12.294 -16.967 -8.604 513 HA HIS 62 HA HIS 62 -14.487 -15.477 -7.542 514 HB2 HIS 62 2HB HIS 62 -13.873 -14.223 -9.688 515 HB3 HIS 62 3HB HIS 62 -14.408 -15.660 -10.555 516 HD1 HIS 62 HD1 HIS 62 -16.956 -16.334 -8.975 517 HD2 HIS 62 HD2 HIS 62 -15.907 -12.485 -10.152 518 HE1 HIS 62 HE1 HIS 62 -19.100 -15.024 -8.994 519 HE2 HIS 62 HE2 HIS 62 -18.445 -12.687 -9.673 Start of MODEL 16 1 H1 MET 1 1H MET 1 -8.035 10.895 -8.368 2 H2 MET 1 2H MET 1 -9.717 11.091 -8.342 3 H3 MET 1 3H MET 1 -9.053 9.553 -8.580 4 HA MET 1 HA MET 1 -8.845 11.194 -6.128 5 HB2 MET 1 2HB MET 1 -10.479 8.767 -6.845 6 HB3 MET 1 3HB MET 1 -10.102 9.161 -5.175 7 HG2 MET 1 2HG MET 1 -12.287 9.988 -5.733 8 HG3 MET 1 3HG MET 1 -11.192 11.341 -5.460 9 HE1 MET 1 3HE MET 1 -13.986 11.730 -6.824 10 HE2 MET 1 1HE MET 1 -13.579 12.769 -8.189 11 HE3 MET 1 2HE MET 1 -12.830 13.048 -6.617 12 H ASN 2 H ASN 2 -7.376 10.625 -4.698 13 HA ASN 2 HA ASN 2 -6.196 8.017 -4.536 14 HB2 ASN 2 2HB ASN 2 -3.899 8.651 -5.062 15 HB3 ASN 2 3HB ASN 2 -4.920 8.940 -6.464 16 HD21 ASN 2 1HD2 ASN 2 -2.895 10.348 -4.059 17 HD22 ASN 2 2HD2 ASN 2 -2.907 11.960 -4.696 18 H LEU 3 H LEU 3 -5.006 7.801 -2.577 19 HA LEU 3 HA LEU 3 -5.691 9.897 -0.674 20 HB2 LEU 3 2HB LEU 3 -4.542 7.137 -0.317 21 HB3 LEU 3 3HB LEU 3 -4.787 8.254 1.012 22 HG LEU 3 HG LEU 3 -6.922 7.065 -0.757 23 HD11 LEU 3 1HD1 LEU 3 -6.283 6.735 2.168 24 HD12 LEU 3 2HD1 LEU 3 -6.073 5.524 0.903 25 HD13 LEU 3 3HD1 LEU 3 -7.694 6.063 1.351 26 HD21 LEU 3 3HD2 LEU 3 -7.460 9.385 -0.199 27 HD22 LEU 3 1HD2 LEU 3 -7.195 9.036 1.510 28 HD23 LEU 3 2HD2 LEU 3 -8.522 8.258 0.645 29 H ARG 4 H ARG 4 -3.888 10.022 1.185 30 HA ARG 4 HA ARG 4 -1.669 11.333 -0.149 31 HB2 ARG 4 2HB ARG 4 -2.378 11.170 2.786 32 HB3 ARG 4 3HB ARG 4 -1.109 12.177 2.096 33 HG2 ARG 4 2HG ARG 4 -2.758 13.442 0.848 34 HG3 ARG 4 3HG ARG 4 -4.046 12.410 1.476 35 HD2 ARG 4 2HD ARG 4 -3.390 13.128 3.776 36 HD3 ARG 4 3HD ARG 4 -2.277 14.282 3.043 37 HE ARG 4 HE ARG 4 -4.535 14.978 1.844 38 HH11 ARG 4 1HH1 ARG 4 -3.835 14.342 5.217 39 HH12 ARG 4 2HH1 ARG 4 -5.164 15.301 5.809 40 HH21 ARG 4 1HH2 ARG 4 -6.269 16.255 2.609 41 HH22 ARG 4 2HH2 ARG 4 -6.572 16.362 4.320 42 H TRP 5 H TRP 5 0.103 10.287 -0.596 43 HA TRP 5 HA TRP 5 0.706 7.827 0.866 44 HB2 TRP 5 2HB TRP 5 1.631 8.869 -1.812 45 HB3 TRP 5 3HB TRP 5 2.364 7.472 -1.035 46 HD1 TRP 5 HD1 TRP 5 -1.166 8.566 -2.238 47 HE1 TRP 5 HE1 TRP 5 -2.410 6.455 -3.041 48 HE3 TRP 5 HE3 TRP 5 2.388 5.076 -1.101 49 HZ2 TRP 5 HZ2 TRP 5 -1.916 3.673 -3.192 50 HZ3 TRP 5 HZ3 TRP 5 1.932 2.712 -1.612 51 HH2 TRP 5 HH2 TRP 5 -0.181 2.027 -2.634 52 H THR 6 H THR 6 2.220 7.825 2.360 53 HA THR 6 HA THR 6 3.945 10.033 2.815 54 HB THR 6 HB THR 6 5.122 8.403 4.390 55 HG1 THR 6 HG1 THR 6 2.876 6.727 4.061 56 HG21 THR 6 3HG2 THR 6 2.143 8.808 4.716 57 HG22 THR 6 1HG2 THR 6 3.405 9.950 5.184 58 HG23 THR 6 2HG2 THR 6 3.270 8.400 6.012 59 H SER 7 H SER 7 6.278 10.037 2.614 60 HA SER 7 HA SER 7 7.095 9.304 0.041 61 HB2 SER 7 2HB SER 7 8.071 11.135 1.506 62 HB3 SER 7 3HB SER 7 8.958 9.871 2.355 63 HG SER 7 HG SER 7 10.265 10.707 0.742 64 H GLU 8 H GLU 8 7.483 7.707 3.152 65 HA GLU 8 HA GLU 8 9.232 5.661 2.225 66 HB2 GLU 8 2HB GLU 8 7.367 5.713 4.602 67 HB3 GLU 8 3HB GLU 8 8.612 4.502 4.322 68 HG2 GLU 8 2HG GLU 8 10.338 6.183 4.475 69 HG3 GLU 8 3HG GLU 8 9.121 7.449 4.648 70 H ALA 9 H ALA 9 5.731 5.987 2.423 71 HA ALA 9 HA ALA 9 5.108 3.307 1.723 72 HB1 ALA 9 3HB ALA 9 2.874 4.143 1.224 73 HB2 ALA 9 1HB ALA 9 3.468 5.804 1.290 74 HB3 ALA 9 2HB ALA 9 3.465 4.808 2.746 75 H LYS 10 H LYS 10 5.446 6.285 -0.171 76 HA LYS 10 HA LYS 10 4.946 5.250 -2.709 77 HB2 LYS 10 2HB LYS 10 6.897 7.416 -1.896 78 HB3 LYS 10 3HB LYS 10 6.324 7.133 -3.535 79 HG2 LYS 10 2HG LYS 10 4.114 7.774 -2.975 80 HG3 LYS 10 3HG LYS 10 4.475 7.759 -1.249 81 HD2 LYS 10 2HD LYS 10 4.388 10.037 -2.027 82 HD3 LYS 10 3HD LYS 10 6.050 9.631 -1.602 83 HE2 LYS 10 2HE LYS 10 6.495 9.191 -4.007 84 HE3 LYS 10 3HE LYS 10 4.863 9.756 -4.369 85 HZ1 LYS 10 3HZ LYS 10 6.997 11.360 -3.066 86 HZ2 LYS 10 1HZ LYS 10 5.429 11.904 -3.420 87 HZ3 LYS 10 2HZ LYS 10 6.496 11.510 -4.680 88 H THR 11 H THR 11 7.954 5.336 -0.842 89 HA THR 11 HA THR 11 9.645 4.183 -2.766 90 HB THR 11 HB THR 11 9.833 3.859 0.240 91 HG1 THR 11 HG1 THR 11 9.703 6.070 -0.320 92 HG21 THR 11 3HG2 THR 11 11.337 2.402 -1.050 93 HG22 THR 11 1HG2 THR 11 12.227 3.636 -0.160 94 HG23 THR 11 2HG2 THR 11 11.970 3.815 -1.895 95 H LYS 12 H LYS 12 7.760 2.697 -0.143 96 HA LYS 12 HA LYS 12 8.397 0.020 -0.629 97 HB2 LYS 12 2HB LYS 12 6.077 1.418 0.636 98 HB3 LYS 12 3HB LYS 12 5.988 -0.314 0.359 99 HG2 LYS 12 2HG LYS 12 8.240 0.978 1.870 100 HG3 LYS 12 3HG LYS 12 6.753 0.419 2.642 101 HD2 LYS 12 2HD LYS 12 7.204 -1.832 1.576 102 HD3 LYS 12 3HD LYS 12 8.803 -1.212 1.156 103 HE2 LYS 12 2HE LYS 12 9.324 -0.854 3.481 104 HE3 LYS 12 3HE LYS 12 7.689 -1.309 3.956 105 HZ1 LYS 12 3HZ LYS 12 9.759 -3.076 2.772 106 HZ2 LYS 12 1HZ LYS 12 8.143 -3.545 3.010 107 HZ3 LYS 12 2HZ LYS 12 9.120 -3.149 4.339 108 H LEU 13 H LEU 13 5.856 2.052 -2.002 109 HA LEU 13 HA LEU 13 4.433 0.066 -3.374 110 HB2 LEU 13 2HB LEU 13 3.623 2.378 -2.974 111 HB3 LEU 13 3HB LEU 13 4.786 2.967 -4.150 112 HG LEU 13 HG LEU 13 3.643 1.661 -5.912 113 HD11 LEU 13 1HD1 LEU 13 1.458 0.679 -5.466 114 HD12 LEU 13 2HD1 LEU 13 1.621 1.070 -3.754 115 HD13 LEU 13 3HD1 LEU 13 2.710 -0.102 -4.498 116 HD21 LEU 13 3HD2 LEU 13 1.846 3.529 -4.367 117 HD22 LEU 13 1HD2 LEU 13 1.646 3.070 -6.058 118 HD23 LEU 13 2HD2 LEU 13 3.058 4.003 -5.558 119 H LYS 14 H LYS 14 7.304 1.885 -4.241 120 HA LYS 14 HA LYS 14 7.304 1.046 -6.982 121 HB2 LYS 14 2HB LYS 14 9.382 2.385 -5.262 122 HB3 LYS 14 3HB LYS 14 9.629 2.015 -6.965 123 HG2 LYS 14 2HG LYS 14 7.798 3.436 -7.591 124 HG3 LYS 14 3HG LYS 14 7.401 3.729 -5.897 125 HD2 LYS 14 2HD LYS 14 9.464 4.904 -5.557 126 HD3 LYS 14 3HD LYS 14 10.033 4.462 -7.168 127 HE2 LYS 14 2HE LYS 14 7.585 6.127 -6.630 128 HE3 LYS 14 3HE LYS 14 9.177 6.795 -6.992 129 HZ1 LYS 14 3HZ LYS 14 7.764 6.672 -8.962 130 HZ2 LYS 14 1HZ LYS 14 7.629 4.990 -8.780 131 HZ3 LYS 14 2HZ LYS 14 9.133 5.681 -9.126 132 H ASN 15 H ASN 15 8.327 -0.367 -4.048 133 HA ASN 15 HA ASN 15 10.199 -2.161 -5.368 134 HB2 ASN 15 2HB ASN 15 9.422 -1.699 -2.503 135 HB3 ASN 15 3HB ASN 15 10.279 -3.167 -2.968 136 HD21 ASN 15 1HD2 ASN 15 11.116 -0.908 -1.286 137 HD22 ASN 15 2HD2 ASN 15 12.578 -0.309 -1.999 138 H ILE 16 H ILE 16 6.923 -1.977 -4.928 139 HA ILE 16 HA ILE 16 6.404 -4.812 -4.713 140 HB ILE 16 HB ILE 16 4.558 -2.505 -5.377 141 HG12 ILE 16 2HG1 ILE 16 4.935 -4.089 -2.822 142 HG13 ILE 16 3HG1 ILE 16 5.470 -2.432 -3.094 143 HG21 ILE 16 1HG2 ILE 16 2.720 -4.077 -4.945 144 HG22 ILE 16 2HG2 ILE 16 3.892 -5.383 -4.765 145 HG23 ILE 16 3HG2 ILE 16 3.702 -4.579 -6.323 146 HD11 ILE 16 3HD1 ILE 16 2.620 -3.391 -3.062 147 HD12 ILE 16 1HD1 ILE 16 3.144 -1.733 -3.361 148 HD13 ILE 16 2HD1 ILE 16 3.433 -2.482 -1.791 149 HA PRO 17 HA PRO 17 7.081 -5.769 -9.017 150 HB2 PRO 17 2HB PRO 17 5.240 -7.864 -9.104 151 HB3 PRO 17 3HB PRO 17 6.937 -8.005 -8.639 152 HG2 PRO 17 2HG PRO 17 4.513 -7.763 -6.914 153 HG3 PRO 17 3HG PRO 17 5.971 -8.741 -6.667 154 HD2 PRO 17 2HD PRO 17 5.593 -6.478 -5.313 155 HD3 PRO 17 3HD PRO 17 7.206 -6.927 -5.908 156 H PHE 18 H PHE 18 6.109 -5.398 -10.969 157 HA PHE 18 HA PHE 18 4.052 -3.538 -11.107 158 HB2 PHE 18 2HB PHE 18 5.674 -3.767 -12.886 159 HB3 PHE 18 3HB PHE 18 5.116 -5.398 -13.237 160 HD1 PHE 18 HD1 PHE 18 4.172 -1.828 -13.361 161 HD2 PHE 18 HD2 PHE 18 3.278 -5.783 -14.656 162 HE1 PHE 18 HE1 PHE 18 2.557 -0.928 -14.988 163 HE2 PHE 18 HE2 PHE 18 1.667 -4.895 -16.284 164 HZ PHE 18 HZ PHE 18 1.303 -2.464 -16.455 165 H PHE 19 H PHE 19 3.942 -7.042 -11.430 166 HA PHE 19 HA PHE 19 1.352 -7.326 -12.424 167 HB2 PHE 19 2HB PHE 19 2.911 -9.187 -12.327 168 HB3 PHE 19 3HB PHE 19 2.924 -9.131 -10.569 169 HD1 PHE 19 HD1 PHE 19 0.738 -9.786 -13.495 170 HD2 PHE 19 HD2 PHE 19 1.372 -10.348 -9.323 171 HE1 PHE 19 HE1 PHE 19 -1.122 -11.397 -13.433 172 HE2 PHE 19 HE2 PHE 19 -0.491 -11.953 -9.251 173 HZ PHE 19 HZ PHE 19 -1.738 -12.482 -11.309 174 H ALA 20 H ALA 20 2.465 -6.651 -9.177 175 HA ALA 20 HA ALA 20 -0.282 -6.932 -8.163 176 HB1 ALA 20 3HB ALA 20 2.311 -6.795 -6.632 177 HB2 ALA 20 1HB ALA 20 1.406 -8.261 -7.004 178 HB3 ALA 20 2HB ALA 20 0.706 -7.041 -5.941 179 H ARG 21 H ARG 21 1.701 -4.590 -9.343 180 HA ARG 21 HA ARG 21 1.749 -2.535 -7.494 181 HB2 ARG 21 2HB ARG 21 1.778 -2.646 -10.467 182 HB3 ARG 21 3HB ARG 21 1.563 -1.081 -9.697 183 HG2 ARG 21 2HG ARG 21 3.807 -2.867 -8.861 184 HG3 ARG 21 3HG ARG 21 3.939 -1.882 -10.320 185 HD2 ARG 21 2HD ARG 21 3.243 -0.793 -7.595 186 HD3 ARG 21 3HD ARG 21 4.875 -0.809 -8.266 187 HE ARG 21 HE ARG 21 2.936 0.454 -9.986 188 HH11 ARG 21 1HH1 ARG 21 5.113 0.949 -7.278 189 HH12 ARG 21 2HH1 ARG 21 5.276 2.655 -7.570 190 HH21 ARG 21 1HH2 ARG 21 3.157 2.704 -10.357 191 HH22 ARG 21 2HH2 ARG 21 4.167 3.650 -9.302 192 H SER 22 H SER 22 -0.705 -2.936 -10.062 193 HA SER 22 HA SER 22 -2.259 -0.743 -9.160 194 HB2 SER 22 2HB SER 22 -2.240 -1.728 -11.491 195 HB3 SER 22 3HB SER 22 -3.212 -3.054 -10.862 196 HG SER 22 HG SER 22 -3.904 -0.436 -11.425 197 H GLN 23 H GLN 23 -2.370 -4.201 -8.573 198 HA GLN 23 HA GLN 23 -4.882 -4.264 -7.270 199 HB2 GLN 23 2HB GLN 23 -3.793 -6.269 -8.212 200 HB3 GLN 23 3HB GLN 23 -2.524 -6.142 -7.003 201 HG2 GLN 23 2HG GLN 23 -4.237 -6.451 -5.243 202 HG3 GLN 23 3HG GLN 23 -5.436 -6.709 -6.509 203 HE21 GLN 23 1HE2 GLN 23 -2.141 -7.839 -6.733 204 HE22 GLN 23 2HE2 GLN 23 -2.504 -9.525 -6.602 205 H ALA 24 H ALA 24 -1.551 -3.981 -6.101 206 HA ALA 24 HA ALA 24 -2.194 -4.088 -3.355 207 HB1 ALA 24 3HB ALA 24 0.063 -4.530 -4.221 208 HB2 ALA 24 1HB ALA 24 0.063 -3.295 -2.963 209 HB3 ALA 24 2HB ALA 24 0.216 -2.828 -4.657 210 H LYS 25 H LYS 25 -1.482 -1.313 -5.491 211 HA LYS 25 HA LYS 25 -1.698 0.696 -3.606 212 HB2 LYS 25 2HB LYS 25 -0.915 1.154 -5.852 213 HB3 LYS 25 3HB LYS 25 -2.487 0.741 -6.525 214 HG2 LYS 25 2HG LYS 25 -3.492 2.652 -5.430 215 HG3 LYS 25 3HG LYS 25 -1.951 3.041 -4.667 216 HD2 LYS 25 2HD LYS 25 -0.949 3.434 -6.850 217 HD3 LYS 25 3HD LYS 25 -2.465 2.988 -7.637 218 HE2 LYS 25 2HE LYS 25 -2.056 5.315 -5.762 219 HE3 LYS 25 3HE LYS 25 -2.206 5.415 -7.515 220 HZ1 LYS 25 3HZ LYS 25 -4.288 4.646 -5.543 221 HZ2 LYS 25 1HZ LYS 25 -4.445 4.330 -7.204 222 HZ3 LYS 25 2HZ LYS 25 -4.316 5.924 -6.660 223 H ALA 26 H ALA 26 -4.265 -0.772 -5.561 224 HA ALA 26 HA ALA 26 -6.404 0.779 -4.711 225 HB1 ALA 26 3HB ALA 26 -6.545 -0.838 -6.544 226 HB2 ALA 26 1HB ALA 26 -7.824 -1.096 -5.357 227 HB3 ALA 26 2HB ALA 26 -6.419 -2.163 -5.387 228 H ARG 27 H ARG 27 -5.171 -2.256 -3.326 229 HA ARG 27 HA ARG 27 -7.085 -2.330 -1.229 230 HB2 ARG 27 2HB ARG 27 -5.918 -4.341 -2.072 231 HB3 ARG 27 3HB ARG 27 -4.418 -3.746 -1.377 232 HG2 ARG 27 2HG ARG 27 -5.398 -3.843 0.853 233 HG3 ARG 27 3HG ARG 27 -6.918 -4.412 0.164 234 HD2 ARG 27 2HD ARG 27 -5.807 -6.413 -0.665 235 HD3 ARG 27 3HD ARG 27 -4.268 -5.837 -0.021 236 HE ARG 27 HE ARG 27 -6.107 -5.891 2.077 237 HH11 ARG 27 1HH1 ARG 27 -4.605 -8.186 -0.091 238 HH12 ARG 27 2HH1 ARG 27 -4.588 -9.472 1.073 239 HH21 ARG 27 1HH2 ARG 27 -6.067 -7.559 3.615 240 HH22 ARG 27 2HH2 ARG 27 -5.350 -9.094 3.219 241 H ILE 28 H ILE 28 -3.767 -1.122 -1.442 242 HA ILE 28 HA ILE 28 -3.278 -0.705 1.273 243 HB ILE 28 HB ILE 28 -2.312 0.923 -1.084 244 HG12 ILE 28 2HG1 ILE 28 -0.895 -1.232 0.495 245 HG13 ILE 28 3HG1 ILE 28 -1.728 -1.522 -1.028 246 HG21 ILE 28 1HG2 ILE 28 -0.515 1.694 0.409 247 HG22 ILE 28 2HG2 ILE 28 -1.298 0.870 1.758 248 HG23 ILE 28 3HG2 ILE 28 -2.107 2.219 0.962 249 HD11 ILE 28 3HD1 ILE 28 0.602 0.343 -0.645 250 HD12 ILE 28 1HD1 ILE 28 -0.207 -0.021 -2.170 251 HD13 ILE 28 2HD1 ILE 28 0.682 -1.285 -1.320 252 H GLU 29 H GLU 29 -4.718 1.486 -1.129 253 HA GLU 29 HA GLU 29 -5.162 3.581 0.731 254 HB2 GLU 29 2HB GLU 29 -6.418 3.077 -1.974 255 HB3 GLU 29 3HB GLU 29 -6.554 4.578 -1.061 256 HG2 GLU 29 2HG GLU 29 -4.125 4.858 -1.167 257 HG3 GLU 29 3HG GLU 29 -3.994 3.361 -2.086 258 H GLN 30 H GLN 30 -6.999 0.752 -0.184 259 HA GLN 30 HA GLN 30 -9.414 1.549 1.132 260 HB2 GLN 30 2HB GLN 30 -8.375 -1.221 0.496 261 HB3 GLN 30 3HB GLN 30 -9.998 -0.859 1.061 262 HG2 GLN 30 2HG GLN 30 -10.409 0.447 -0.963 263 HG3 GLN 30 3HG GLN 30 -8.779 0.072 -1.527 264 HE21 GLN 30 1HE2 GLN 30 -8.993 -2.655 -0.357 265 HE22 GLN 30 2HE2 GLN 30 -9.969 -3.551 -1.471 266 H LEU 31 H LEU 31 -6.510 -0.207 2.065 267 HA LEU 31 HA LEU 31 -7.286 -0.934 4.665 268 HB2 LEU 31 2HB LEU 31 -4.565 -0.327 3.509 269 HB3 LEU 31 3HB LEU 31 -4.811 -0.978 5.118 270 HG LEU 31 HG LEU 31 -5.763 -2.376 2.620 271 HD11 LEU 31 1HD1 LEU 31 -3.794 -3.814 2.847 272 HD12 LEU 31 2HD1 LEU 31 -3.187 -2.782 4.143 273 HD13 LEU 31 3HD1 LEU 31 -3.345 -2.146 2.504 274 HD21 LEU 31 3HD2 LEU 31 -6.900 -3.047 4.652 275 HD22 LEU 31 1HD2 LEU 31 -5.352 -3.297 5.463 276 HD23 LEU 31 2HD2 LEU 31 -5.818 -4.332 4.112 277 H ALA 32 H ALA 32 -6.053 2.057 3.326 278 HA ALA 32 HA ALA 32 -5.617 3.366 5.814 279 HB1 ALA 32 3HB ALA 32 -4.566 4.169 3.780 280 HB2 ALA 32 1HB ALA 32 -5.569 5.432 4.492 281 HB3 ALA 32 2HB ALA 32 -6.144 4.537 3.085 282 H ARG 33 H ARG 33 -8.364 3.121 3.607 283 HA ARG 33 HA ARG 33 -10.115 4.826 5.026 284 HB2 ARG 33 2HB ARG 33 -10.900 2.349 3.480 285 HB3 ARG 33 3HB ARG 33 -11.905 3.749 3.824 286 HG2 ARG 33 2HG ARG 33 -10.540 5.122 2.367 287 HG3 ARG 33 3HG ARG 33 -9.460 3.758 2.064 288 HD2 ARG 33 2HD ARG 33 -11.514 2.519 1.226 289 HD3 ARG 33 3HD ARG 33 -12.335 4.078 1.250 290 HE ARG 33 HE ARG 33 -9.847 3.849 -0.271 291 HH11 ARG 33 1HH1 ARG 33 -13.320 4.178 -0.199 292 HH12 ARG 33 2HH1 ARG 33 -13.459 4.556 -1.893 293 HH21 ARG 33 1HH2 ARG 33 -10.002 4.303 -2.508 294 HH22 ARG 33 2HH2 ARG 33 -11.562 4.589 -3.220 295 H GLN 34 H GLN 34 -9.290 1.434 5.297 296 HA GLN 34 HA GLN 34 -11.159 0.726 7.291 297 HB2 GLN 34 2HB GLN 34 -9.815 -0.827 5.829 298 HB3 GLN 34 3HB GLN 34 -8.422 -0.474 6.839 299 HG2 GLN 34 2HG GLN 34 -9.576 -1.410 8.770 300 HG3 GLN 34 3HG GLN 34 -10.989 -1.741 7.769 301 HE21 GLN 34 1HE2 GLN 34 -9.275 -2.470 5.471 302 HE22 GLN 34 2HE2 GLN 34 -8.687 -4.060 5.823 303 H ALA 35 H ALA 35 -7.924 2.083 7.403 304 HA ALA 35 HA ALA 35 -7.828 2.068 10.293 305 HB1 ALA 35 3HB ALA 35 -5.674 3.160 10.038 306 HB2 ALA 35 1HB ALA 35 -5.977 3.394 8.316 307 HB3 ALA 35 2HB ALA 35 -5.784 1.764 8.963 308 H GLU 36 H GLU 36 -9.340 3.909 8.013 309 HA GLU 36 HA GLU 36 -10.504 5.837 8.044 310 HB2 GLU 36 2HB GLU 36 -10.062 5.630 11.021 311 HB3 GLU 36 3HB GLU 36 -11.177 6.751 10.249 312 HG2 GLU 36 2HG GLU 36 -12.418 4.851 9.317 313 HG3 GLU 36 3HG GLU 36 -11.310 3.748 10.134 314 H GLN 37 H GLN 37 -8.154 6.345 7.113 315 HA GLN 37 HA GLN 37 -7.671 9.036 8.048 316 HB2 GLN 37 2HB GLN 37 -5.227 8.735 8.225 317 HB3 GLN 37 3HB GLN 37 -6.107 7.820 9.438 318 HG2 GLN 37 2HG GLN 37 -5.846 5.802 8.013 319 HG3 GLN 37 3HG GLN 37 -4.818 6.753 6.940 320 HE21 GLN 37 1HE2 GLN 37 -2.982 5.542 7.319 321 HE22 GLN 37 2HE2 GLN 37 -2.151 5.544 8.840 322 H ASP 38 H ASP 38 -6.395 10.296 6.544 323 HA ASP 38 HA ASP 38 -7.023 9.542 3.810 324 HB2 ASP 38 2HB ASP 38 -5.702 12.041 4.913 325 HB3 ASP 38 3HB ASP 38 -6.226 11.819 3.251 326 H ILE 39 H ILE 39 -4.461 9.120 5.881 327 HA ILE 39 HA ILE 39 -2.408 9.353 3.794 328 HB ILE 39 HB ILE 39 -2.016 9.112 6.782 329 HG12 ILE 39 2HG1 ILE 39 -1.825 11.603 5.076 330 HG13 ILE 39 3HG1 ILE 39 -3.208 11.208 6.095 331 HG21 ILE 39 1HG2 ILE 39 -0.113 8.359 5.481 332 HG22 ILE 39 2HG2 ILE 39 0.262 9.884 6.283 333 HG23 ILE 39 3HG2 ILE 39 -0.122 9.865 4.560 334 HD11 ILE 39 3HD1 ILE 39 -1.759 11.261 8.062 335 HD12 ILE 39 1HD1 ILE 39 -1.742 12.794 7.189 336 HD13 ILE 39 2HD1 ILE 39 -0.387 11.675 7.033 337 H VAL 40 H VAL 40 -1.258 7.593 3.152 338 HA VAL 40 HA VAL 40 -1.822 5.059 4.531 339 HB VAL 40 HB VAL 40 -1.087 3.880 2.577 340 HG11 VAL 40 1HG1 VAL 40 -2.696 4.661 0.891 341 HG12 VAL 40 2HG1 VAL 40 -2.898 6.160 1.800 342 HG13 VAL 40 3HG1 VAL 40 -3.382 4.624 2.513 343 HG21 VAL 40 3HG2 VAL 40 -0.275 4.958 0.571 344 HG22 VAL 40 1HG2 VAL 40 0.756 5.372 1.942 345 HG23 VAL 40 2HG2 VAL 40 -0.422 6.537 1.336 346 H THR 41 H THR 41 -0.233 3.997 5.566 347 HA THR 41 HA THR 41 2.404 5.260 5.600 348 HB THR 41 HB THR 41 2.684 3.666 7.624 349 HG1 THR 41 HG1 THR 41 0.675 3.076 8.569 350 HG21 THR 41 3HG2 THR 41 1.567 5.273 9.112 351 HG22 THR 41 1HG2 THR 41 0.714 5.957 7.727 352 HG23 THR 41 2HG2 THR 41 2.468 6.090 7.836 353 HA PRO 42 HA PRO 42 4.425 2.023 3.421 354 HB2 PRO 42 2HB PRO 42 6.549 1.488 5.145 355 HB3 PRO 42 3HB PRO 42 6.527 2.731 3.893 356 HG2 PRO 42 2HG PRO 42 6.054 2.982 6.822 357 HG3 PRO 42 3HG PRO 42 6.848 4.110 5.709 358 HD2 PRO 42 2HD PRO 42 4.350 4.520 6.620 359 HD3 PRO 42 3HD PRO 42 4.843 4.994 4.979 360 H GLU 43 H GLU 43 3.693 1.543 6.825 361 HA GLU 43 HA GLU 43 4.035 -1.223 6.993 362 HB2 GLU 43 2HB GLU 43 1.895 0.449 8.329 363 HB3 GLU 43 3HB GLU 43 2.338 -1.188 8.783 364 HG2 GLU 43 2HG GLU 43 3.425 0.127 10.343 365 HG3 GLU 43 3HG GLU 43 4.684 -0.246 9.170 366 H LEU 44 H LEU 44 1.212 0.658 5.951 367 HA LEU 44 HA LEU 44 -0.437 -1.598 5.463 368 HB2 LEU 44 2HB LEU 44 -0.563 1.297 4.736 369 HB3 LEU 44 3HB LEU 44 -1.647 0.170 3.946 370 HG LEU 44 HG LEU 44 -2.526 -0.501 6.167 371 HD11 LEU 44 1HD1 LEU 44 -0.548 0.063 7.503 372 HD12 LEU 44 2HD1 LEU 44 -2.015 0.811 8.135 373 HD13 LEU 44 3HD1 LEU 44 -0.855 1.774 7.217 374 HD21 LEU 44 3HD2 LEU 44 -3.792 1.544 6.582 375 HD22 LEU 44 1HD2 LEU 44 -3.669 1.200 4.860 376 HD23 LEU 44 2HD2 LEU 44 -2.654 2.451 5.582 377 H VAL 45 H VAL 45 1.767 0.277 3.464 378 HA VAL 45 HA VAL 45 1.168 -0.968 1.000 379 HB VAL 45 HB VAL 45 3.862 0.106 1.856 380 HG11 VAL 45 1HG1 VAL 45 2.600 -0.261 -0.860 381 HG12 VAL 45 2HG1 VAL 45 3.948 -1.185 -0.193 382 HG13 VAL 45 3HG1 VAL 45 4.147 0.529 -0.555 383 HG21 VAL 45 3HG2 VAL 45 3.134 2.230 0.856 384 HG22 VAL 45 1HG2 VAL 45 2.157 1.785 2.255 385 HG23 VAL 45 2HG2 VAL 45 1.520 1.556 0.626 386 H GLU 46 H GLU 46 3.544 -1.681 3.524 387 HA GLU 46 HA GLU 46 4.674 -3.978 2.383 388 HB2 GLU 46 2HB GLU 46 5.668 -2.827 4.300 389 HB3 GLU 46 3HB GLU 46 4.279 -3.237 5.293 390 HG2 GLU 46 2HG GLU 46 5.988 -4.720 5.909 391 HG3 GLU 46 3HG GLU 46 4.865 -5.653 4.924 392 H GLN 47 H GLN 47 1.990 -3.615 4.691 393 HA GLN 47 HA GLN 47 1.356 -6.262 5.098 394 HB2 GLN 47 2HB GLN 47 -0.363 -3.795 5.042 395 HB3 GLN 47 3HB GLN 47 -1.032 -5.376 5.415 396 HG2 GLN 47 2HG GLN 47 1.180 -4.003 6.916 397 HG3 GLN 47 3HG GLN 47 -0.505 -4.118 7.426 398 HE21 GLN 47 1HE2 GLN 47 -0.766 -6.854 6.413 399 HE22 GLN 47 2HE2 GLN 47 0.065 -7.863 7.549 400 H ALA 48 H ALA 48 -0.073 -4.104 2.643 401 HA ALA 48 HA ALA 48 -1.679 -6.032 1.419 402 HB1 ALA 48 3HB ALA 48 -1.888 -3.620 1.008 403 HB2 ALA 48 1HB ALA 48 -1.768 -4.543 -0.493 404 HB3 ALA 48 2HB ALA 48 -0.370 -3.655 0.111 405 H ARG 49 H ARG 49 1.701 -5.209 0.978 406 HA ARG 49 HA ARG 49 2.148 -6.660 -1.409 407 HB2 ARG 49 2HB ARG 49 3.639 -4.896 -0.712 408 HB3 ARG 49 3HB ARG 49 4.010 -5.745 0.779 409 HG2 ARG 49 2HG ARG 49 5.035 -7.554 -0.572 410 HG3 ARG 49 3HG ARG 49 4.775 -6.559 -2.011 411 HD2 ARG 49 2HD ARG 49 6.244 -4.888 -1.251 412 HD3 ARG 49 3HD ARG 49 6.240 -5.529 0.391 413 HE ARG 49 HE ARG 49 7.597 -6.771 -1.919 414 HH11 ARG 49 1HH1 ARG 49 7.305 -6.188 1.527 415 HH12 ARG 49 2HH1 ARG 49 8.652 -7.207 1.942 416 HH21 ARG 49 1HH2 ARG 49 9.377 -8.094 -1.376 417 HH22 ARG 49 2HH2 ARG 49 9.811 -8.313 0.292 418 H LEU 50 H LEU 50 2.667 -7.419 2.015 419 HA LEU 50 HA LEU 50 3.729 -10.007 1.485 420 HB2 LEU 50 2HB LEU 50 3.267 -8.353 3.796 421 HB3 LEU 50 3HB LEU 50 2.759 -10.005 4.107 422 HG LEU 50 HG LEU 50 5.083 -9.651 4.783 423 HD11 LEU 50 1HD1 LEU 50 6.081 -11.519 3.525 424 HD12 LEU 50 2HD1 LEU 50 4.756 -11.419 2.360 425 HD13 LEU 50 3HD1 LEU 50 4.427 -11.863 4.036 426 HD21 LEU 50 3HD2 LEU 50 5.576 -9.075 1.863 427 HD22 LEU 50 1HD2 LEU 50 6.803 -9.200 3.125 428 HD23 LEU 50 2HD2 LEU 50 5.628 -7.884 3.166 429 H GLU 51 H GLU 51 0.517 -8.787 2.214 430 HA GLU 51 HA GLU 51 -0.837 -11.160 2.692 431 HB2 GLU 51 2HB GLU 51 -1.667 -8.634 1.274 432 HB3 GLU 51 3HB GLU 51 -2.784 -9.970 1.509 433 HG2 GLU 51 2HG GLU 51 -1.323 -8.656 3.778 434 HG3 GLU 51 3HG GLU 51 -2.892 -8.101 3.194 435 H PHE 52 H PHE 52 -0.107 -9.617 -0.430 436 HA PHE 52 HA PHE 52 -1.293 -11.741 -1.941 437 HB2 PHE 52 2HB PHE 52 0.623 -9.582 -2.847 438 HB3 PHE 52 3HB PHE 52 -0.309 -10.636 -3.904 439 HD1 PHE 52 HD2 PHE 52 -2.931 -10.637 -2.576 440 HD2 PHE 52 HD1 PHE 52 -0.187 -7.454 -3.256 441 HE1 PHE 52 HE2 PHE 52 -4.790 -9.026 -2.506 442 HE2 PHE 52 HE1 PHE 52 -2.040 -5.841 -3.181 443 HZ PHE 52 HZ PHE 52 -4.345 -6.621 -2.806 444 H GLY 53 H GLY 53 1.912 -10.999 -0.761 445 HA2 GLY 53 2HA GLY 53 3.340 -12.938 -2.262 446 HA3 GLY 53 3HA GLY 53 3.867 -12.202 -0.753 447 H GLN 54 H GLN 54 1.358 -13.151 0.577 448 HA GLN 54 HA GLN 54 2.295 -15.821 1.216 449 HB2 GLN 54 2HB GLN 54 0.136 -14.070 2.387 450 HB3 GLN 54 3HB GLN 54 0.418 -15.723 2.917 451 HG2 GLN 54 2HG GLN 54 2.697 -15.129 3.563 452 HG3 GLN 54 3HG GLN 54 2.407 -13.470 3.036 453 HE21 GLN 54 1HE2 GLN 54 1.611 -15.912 5.398 454 HE22 GLN 54 2HE2 GLN 54 0.939 -14.824 6.574 455 H LEU 55 H LEU 55 -0.219 -14.304 -0.602 456 HA LEU 55 HA LEU 55 -1.883 -16.632 -0.744 457 HB2 LEU 55 2HB LEU 55 -1.844 -14.140 -2.448 458 HB3 LEU 55 3HB LEU 55 -3.057 -15.399 -2.549 459 HG LEU 55 HG LEU 55 -2.545 -13.649 -0.143 460 HD11 LEU 55 1HD1 LEU 55 -3.574 -12.418 -1.968 461 HD12 LEU 55 2HD1 LEU 55 -4.741 -12.694 -0.676 462 HD13 LEU 55 3HD1 LEU 55 -4.803 -13.671 -2.142 463 HD21 LEU 55 3HD2 LEU 55 -4.646 -15.752 -0.641 464 HD22 LEU 55 1HD2 LEU 55 -4.582 -14.674 0.754 465 HD23 LEU 55 2HD2 LEU 55 -3.308 -15.867 0.500 466 H GLU 56 H GLU 56 -0.973 -15.070 -3.711 467 HA GLU 56 HA GLU 56 -0.499 -15.981 -5.749 468 HB2 GLU 56 2HB GLU 56 1.736 -17.211 -4.135 469 HB3 GLU 56 3HB GLU 56 1.713 -17.045 -5.883 470 HG2 GLU 56 2HG GLU 56 1.648 -14.601 -5.625 471 HG3 GLU 56 3HG GLU 56 1.756 -14.805 -3.875 472 H HIS 57 H HIS 57 0.917 -18.738 -4.164 473 HA HIS 57 HA HIS 57 -0.890 -20.513 -5.610 474 HB2 HIS 57 2HB HIS 57 1.544 -21.219 -3.945 475 HB3 HIS 57 3HB HIS 57 0.682 -22.282 -5.051 476 HD1 HIS 57 HD1 HIS 57 3.612 -20.260 -4.880 477 HD2 HIS 57 HD2 HIS 57 0.849 -21.181 -7.852 478 HE1 HIS 57 HE1 HIS 57 4.752 -19.722 -7.057 479 HE2 HIS 57 HE2 HIS 57 3.124 -20.434 -8.846 480 H HIS 58 H HIS 58 -2.784 -20.344 -4.394 481 HA HIS 58 HA HIS 58 -2.624 -20.547 -1.494 482 HB2 HIS 58 2HB HIS 58 -4.045 -18.844 -2.710 483 HB3 HIS 58 3HB HIS 58 -5.085 -20.170 -3.210 484 HD1 HIS 58 HD1 HIS 58 -3.738 -18.815 0.111 485 HD2 HIS 58 HD2 HIS 58 -7.182 -20.467 -1.555 486 HE1 HIS 58 HE1 HIS 58 -5.462 -18.789 1.940 487 HE2 HIS 58 HE2 HIS 58 -7.580 -19.616 0.855 488 H HIS 59 H HIS 59 -1.965 -22.888 -3.032 489 HA HIS 59 HA HIS 59 -3.931 -24.694 -1.797 490 HB2 HIS 59 2HB HIS 59 -2.749 -24.863 -4.550 491 HB3 HIS 59 3HB HIS 59 -3.190 -26.335 -3.694 492 HD1 HIS 59 HD1 HIS 59 -5.507 -27.095 -4.028 493 HD2 HIS 59 HD2 HIS 59 -5.081 -23.027 -4.783 494 HE1 HIS 59 HE1 HIS 59 -7.747 -26.324 -4.874 495 HE2 HIS 59 HE2 HIS 59 -7.524 -23.819 -5.102 496 H HIS 60 H HIS 60 -0.691 -24.422 -3.170 497 HA HIS 60 HA HIS 60 1.221 -25.571 -2.810 498 HB2 HIS 60 2HB HIS 60 2.184 -25.250 -0.572 499 HB3 HIS 60 3HB HIS 60 1.452 -23.787 -1.204 500 HD1 HIS 60 HD1 HIS 60 1.287 -26.191 1.606 501 HD2 HIS 60 HD2 HIS 60 -0.860 -22.922 0.202 502 HE1 HIS 60 HE1 HIS 60 -0.202 -25.489 3.508 503 HE2 HIS 60 HE2 HIS 60 -1.257 -23.346 2.716 504 H HIS 61 H HIS 61 0.006 -27.533 -3.462 505 HA HIS 61 HA HIS 61 0.394 -29.567 -1.378 506 HB2 HIS 61 2HB HIS 61 -2.022 -29.230 -1.661 507 HB3 HIS 61 3HB HIS 61 -1.869 -29.494 -3.394 508 HD1 HIS 61 HD1 HIS 61 -1.692 -31.344 -0.102 509 HD2 HIS 61 HD2 HIS 61 -1.835 -32.140 -4.189 510 HE1 HIS 61 HE1 HIS 61 -2.066 -33.825 -0.305 511 HE2 HIS 61 HE2 HIS 61 -1.974 -34.307 -2.776 512 H HIS 62 H HIS 62 1.835 -31.032 -1.970 513 HA HIS 62 HA HIS 62 2.555 -31.195 -4.806 514 HB2 HIS 62 2HB HIS 62 4.323 -30.636 -3.107 515 HB3 HIS 62 3HB HIS 62 4.103 -32.247 -2.431 516 HD1 HIS 62 HD1 HIS 62 5.193 -34.204 -3.658 517 HD2 HIS 62 HD2 HIS 62 5.542 -30.581 -5.677 518 HE1 HIS 62 HE1 HIS 62 6.858 -34.606 -5.501 519 HE2 HIS 62 HE2 HIS 62 6.962 -32.439 -6.786 Start of MODEL 17 1 H1 MET 1 1H MET 1 -11.552 11.914 -3.714 2 H2 MET 1 2H MET 1 -10.269 12.372 -4.717 3 H3 MET 1 3H MET 1 -10.086 12.413 -3.029 4 HA MET 1 HA MET 1 -10.232 10.063 -2.876 5 HB2 MET 1 2HB MET 1 -10.784 10.252 -5.832 6 HB3 MET 1 3HB MET 1 -10.214 8.764 -5.088 7 HG2 MET 1 2HG MET 1 -12.625 8.741 -5.330 8 HG3 MET 1 3HG MET 1 -12.168 8.742 -3.627 9 HE1 MET 1 3HE MET 1 -15.398 10.796 -3.291 10 HE2 MET 1 1HE MET 1 -14.384 9.534 -2.594 11 HE3 MET 1 2HE MET 1 -15.093 9.311 -4.190 12 H ASN 2 H ASN 2 -8.526 8.474 -4.056 13 HA ASN 2 HA ASN 2 -6.318 8.024 -4.287 14 HB2 ASN 2 2HB ASN 2 -6.398 9.427 -6.317 15 HB3 ASN 2 3HB ASN 2 -6.098 10.860 -5.344 16 HD21 ASN 2 1HD2 ASN 2 -4.734 7.923 -6.628 17 HD22 ASN 2 2HD2 ASN 2 -3.075 8.353 -6.376 18 H LEU 3 H LEU 3 -5.646 7.707 -2.290 19 HA LEU 3 HA LEU 3 -5.709 9.745 -0.303 20 HB2 LEU 3 2HB LEU 3 -4.570 6.958 -0.247 21 HB3 LEU 3 3HB LEU 3 -4.715 8.002 1.156 22 HG LEU 3 HG LEU 3 -7.015 6.959 -0.505 23 HD11 LEU 3 1HD1 LEU 3 -6.122 6.255 2.280 24 HD12 LEU 3 2HD1 LEU 3 -5.956 5.234 0.852 25 HD13 LEU 3 3HD1 LEU 3 -7.558 5.645 1.463 26 HD21 LEU 3 3HD2 LEU 3 -6.992 8.637 2.000 27 HD22 LEU 3 1HD2 LEU 3 -8.425 7.916 1.266 28 HD23 LEU 3 2HD2 LEU 3 -7.517 9.153 0.397 29 H ARG 4 H ARG 4 -3.764 10.024 1.183 30 HA ARG 4 HA ARG 4 -1.639 11.087 -0.478 31 HB2 ARG 4 2HB ARG 4 -2.559 12.453 1.338 32 HB3 ARG 4 3HB ARG 4 -2.086 11.232 2.508 33 HG2 ARG 4 2HG ARG 4 0.268 11.601 1.908 34 HG3 ARG 4 3HG ARG 4 -0.238 12.879 0.801 35 HD2 ARG 4 2HD ARG 4 -1.183 14.137 2.640 36 HD3 ARG 4 3HD ARG 4 -0.791 12.834 3.760 37 HE ARG 4 HE ARG 4 1.565 13.656 2.468 38 HH11 ARG 4 1HH1 ARG 4 -0.783 14.823 4.778 39 HH12 ARG 4 2HH1 ARG 4 0.344 15.845 5.610 40 HH21 ARG 4 1HH2 ARG 4 3.054 14.971 3.543 41 HH22 ARG 4 2HH2 ARG 4 2.550 15.945 4.890 42 H TRP 5 H TRP 5 0.232 10.130 -0.835 43 HA TRP 5 HA TRP 5 0.907 7.768 0.775 44 HB2 TRP 5 2HB TRP 5 1.800 8.612 -1.995 45 HB3 TRP 5 3HB TRP 5 2.431 7.206 -1.144 46 HD1 TRP 5 HD1 TRP 5 -1.011 8.512 -2.392 47 HE1 TRP 5 HE1 TRP 5 -2.423 6.469 -3.085 48 HE3 TRP 5 HE3 TRP 5 2.255 4.805 -1.098 49 HZ2 TRP 5 HZ2 TRP 5 -2.169 3.659 -3.093 50 HZ3 TRP 5 HZ3 TRP 5 1.596 2.466 -1.480 51 HH2 TRP 5 HH2 TRP 5 -0.570 1.907 -2.454 52 H THR 6 H THR 6 2.620 7.804 2.091 53 HA THR 6 HA THR 6 4.123 10.205 2.431 54 HB THR 6 HB THR 6 5.370 8.966 4.157 55 HG1 THR 6 HG1 THR 6 4.918 6.791 4.527 56 HG21 THR 6 3HG2 THR 6 2.389 8.493 4.266 57 HG22 THR 6 1HG2 THR 6 3.230 9.963 4.765 58 HG23 THR 6 2HG2 THR 6 3.487 8.457 5.645 59 H SER 7 H SER 7 6.563 10.130 2.542 60 HA SER 7 HA SER 7 7.681 9.528 0.058 61 HB2 SER 7 2HB SER 7 9.879 9.657 1.575 62 HB3 SER 7 3HB SER 7 8.929 11.092 1.181 63 HG SER 7 HG SER 7 9.029 9.609 3.592 64 H GLU 8 H GLU 8 7.560 7.670 3.045 65 HA GLU 8 HA GLU 8 9.288 5.584 2.141 66 HB2 GLU 8 2HB GLU 8 7.202 5.494 4.332 67 HB3 GLU 8 3HB GLU 8 8.497 4.334 4.091 68 HG2 GLU 8 2HG GLU 8 9.152 5.726 5.873 69 HG3 GLU 8 3HG GLU 8 10.115 6.209 4.479 70 H ALA 9 H ALA 9 5.802 6.097 2.231 71 HA ALA 9 HA ALA 9 5.047 3.513 1.387 72 HB1 ALA 9 3HB ALA 9 2.873 4.505 0.891 73 HB2 ALA 9 1HB ALA 9 3.568 6.117 1.053 74 HB3 ALA 9 2HB ALA 9 3.483 5.050 2.454 75 H LYS 10 H LYS 10 5.760 6.489 -0.383 76 HA LYS 10 HA LYS 10 5.054 5.582 -2.944 77 HB2 LYS 10 2HB LYS 10 7.104 7.627 -2.076 78 HB3 LYS 10 3HB LYS 10 6.654 7.353 -3.752 79 HG2 LYS 10 2HG LYS 10 4.395 8.038 -3.318 80 HG3 LYS 10 3HG LYS 10 4.719 8.146 -1.589 81 HD2 LYS 10 2HD LYS 10 4.728 10.361 -2.539 82 HD3 LYS 10 3HD LYS 10 6.368 9.934 -2.052 83 HE2 LYS 10 2HE LYS 10 6.966 9.445 -4.337 84 HE3 LYS 10 3HE LYS 10 5.304 9.708 -4.865 85 HZ1 LYS 10 3HZ LYS 10 7.030 11.791 -3.627 86 HZ2 LYS 10 1HZ LYS 10 5.476 12.014 -4.275 87 HZ3 LYS 10 2HZ LYS 10 6.775 11.621 -5.297 88 H THR 11 H THR 11 8.165 5.465 -1.219 89 HA THR 11 HA THR 11 9.596 4.129 -3.245 90 HB THR 11 HB THR 11 10.040 3.994 -0.253 91 HG1 THR 11 HG1 THR 11 11.050 5.793 -2.237 92 HG21 THR 11 3HG2 THR 11 12.377 3.530 -0.864 93 HG22 THR 11 1HG2 THR 11 11.922 3.507 -2.569 94 HG23 THR 11 2HG2 THR 11 11.289 2.282 -1.470 95 H LYS 12 H LYS 12 7.814 2.914 -0.423 96 HA LYS 12 HA LYS 12 8.319 0.192 -0.728 97 HB2 LYS 12 2HB LYS 12 6.098 1.763 0.516 98 HB3 LYS 12 3HB LYS 12 5.945 0.019 0.381 99 HG2 LYS 12 2HG LYS 12 8.274 1.377 1.710 100 HG3 LYS 12 3HG LYS 12 6.821 0.851 2.566 101 HD2 LYS 12 2HD LYS 12 7.220 -1.449 1.755 102 HD3 LYS 12 3HD LYS 12 8.717 -0.896 1.002 103 HE2 LYS 12 2HE LYS 12 9.592 -0.257 3.182 104 HE3 LYS 12 3HE LYS 12 8.085 -0.761 3.947 105 HZ1 LYS 12 3HZ LYS 12 9.800 -2.452 4.151 106 HZ2 LYS 12 1HZ LYS 12 9.946 -2.539 2.465 107 HZ3 LYS 12 2HZ LYS 12 8.504 -3.024 3.218 108 H LEU 13 H LEU 13 5.715 2.165 -2.119 109 HA LEU 13 HA LEU 13 4.309 0.044 -3.328 110 HB2 LEU 13 2HB LEU 13 3.393 2.309 -2.925 111 HB3 LEU 13 3HB LEU 13 4.441 2.938 -4.180 112 HG LEU 13 HG LEU 13 3.266 1.492 -5.830 113 HD11 LEU 13 1HD1 LEU 13 2.473 -0.224 -4.288 114 HD12 LEU 13 2HD1 LEU 13 1.141 0.476 -5.210 115 HD13 LEU 13 3HD1 LEU 13 1.395 0.948 -3.529 116 HD21 LEU 13 3HD2 LEU 13 1.512 3.389 -4.272 117 HD22 LEU 13 1HD2 LEU 13 1.232 2.846 -5.928 118 HD23 LEU 13 2HD2 LEU 13 2.645 3.833 -5.549 119 H LYS 14 H LYS 14 7.012 2.001 -4.402 120 HA LYS 14 HA LYS 14 6.944 1.051 -7.105 121 HB2 LYS 14 2HB LYS 14 9.078 2.499 -5.535 122 HB3 LYS 14 3HB LYS 14 9.190 2.136 -7.252 123 HG2 LYS 14 2HG LYS 14 7.281 3.514 -7.721 124 HG3 LYS 14 3HG LYS 14 7.008 3.788 -5.999 125 HD2 LYS 14 2HD LYS 14 9.182 4.915 -5.848 126 HD3 LYS 14 3HD LYS 14 9.426 4.659 -7.578 127 HE2 LYS 14 2HE LYS 14 7.447 5.997 -8.062 128 HE3 LYS 14 3HE LYS 14 7.178 6.233 -6.335 129 HZ1 LYS 14 3HZ LYS 14 8.293 8.125 -7.404 130 HZ2 LYS 14 1HZ LYS 14 9.601 7.121 -7.807 131 HZ3 LYS 14 2HZ LYS 14 9.241 7.429 -6.176 132 H ASN 15 H ASN 15 8.258 -0.102 -4.135 133 HA ASN 15 HA ASN 15 10.165 -1.882 -5.374 134 HB2 ASN 15 2HB ASN 15 9.162 -1.651 -2.533 135 HB3 ASN 15 3HB ASN 15 10.329 -2.863 -3.046 136 HD21 ASN 15 1HD2 ASN 15 10.695 -0.801 -1.092 137 HD22 ASN 15 2HD2 ASN 15 11.997 0.193 -1.646 138 H ILE 16 H ILE 16 6.855 -1.866 -5.046 139 HA ILE 16 HA ILE 16 6.607 -4.767 -4.932 140 HB ILE 16 HB ILE 16 4.483 -2.627 -5.208 141 HG12 ILE 16 2HG1 ILE 16 5.567 -4.197 -2.876 142 HG13 ILE 16 3HG1 ILE 16 5.450 -2.453 -3.059 143 HG21 ILE 16 1HG2 ILE 16 4.150 -5.585 -4.706 144 HG22 ILE 16 2HG2 ILE 16 3.792 -4.759 -6.221 145 HG23 ILE 16 3HG2 ILE 16 2.859 -4.386 -4.773 146 HD11 ILE 16 3HD1 ILE 16 3.832 -3.270 -1.465 147 HD12 ILE 16 1HD1 ILE 16 3.153 -4.355 -2.678 148 HD13 ILE 16 2HD1 ILE 16 3.017 -2.608 -2.883 149 HA PRO 17 HA PRO 17 7.171 -5.490 -9.273 150 HB2 PRO 17 2HB PRO 17 4.886 -7.342 -8.695 151 HB3 PRO 17 3HB PRO 17 6.366 -7.639 -9.614 152 HG2 PRO 17 2HG PRO 17 6.117 -8.503 -7.103 153 HG3 PRO 17 3HG PRO 17 7.660 -7.880 -7.715 154 HD2 PRO 17 2HD PRO 17 5.758 -6.657 -5.808 155 HD3 PRO 17 3HD PRO 17 7.501 -6.394 -5.992 156 H PHE 18 H PHE 18 6.358 -4.617 -11.057 157 HA PHE 18 HA PHE 18 4.452 -2.635 -10.977 158 HB2 PHE 18 2HB PHE 18 6.150 -2.849 -12.732 159 HB3 PHE 18 3HB PHE 18 5.316 -4.256 -13.381 160 HD1 PHE 18 HD2 PHE 18 5.115 -0.614 -12.891 161 HD2 PHE 18 HD1 PHE 18 3.446 -4.018 -14.821 162 HE1 PHE 18 HE2 PHE 18 3.792 0.865 -14.343 163 HE2 PHE 18 HE1 PHE 18 2.120 -2.547 -16.277 164 HZ PHE 18 HZ PHE 18 2.290 -0.101 -16.040 165 H PHE 19 H PHE 19 3.994 -5.976 -12.084 166 HA PHE 19 HA PHE 19 1.347 -5.591 -12.984 167 HB2 PHE 19 2HB PHE 19 1.220 -8.053 -13.072 168 HB3 PHE 19 3HB PHE 19 2.676 -7.430 -13.834 169 HD1 PHE 19 HD1 PHE 19 4.865 -7.790 -12.810 170 HD2 PHE 19 HD2 PHE 19 1.321 -9.407 -11.093 171 HE1 PHE 19 HE1 PHE 19 6.227 -9.322 -11.451 172 HE2 PHE 19 HE2 PHE 19 2.679 -10.939 -9.727 173 HZ PHE 19 HZ PHE 19 5.134 -10.898 -9.904 174 H ALA 20 H ALA 20 2.618 -5.948 -9.834 175 HA ALA 20 HA ALA 20 -0.033 -6.718 -8.786 176 HB1 ALA 20 3HB ALA 20 1.102 -7.516 -6.797 177 HB2 ALA 20 1HB ALA 20 2.655 -6.965 -7.432 178 HB3 ALA 20 2HB ALA 20 1.788 -8.277 -8.233 179 H ARG 21 H ARG 21 1.853 -4.081 -9.295 180 HA ARG 21 HA ARG 21 1.677 -2.780 -6.763 181 HB2 ARG 21 2HB ARG 21 3.445 -2.155 -8.259 182 HB3 ARG 21 3HB ARG 21 2.302 -1.740 -9.528 183 HG2 ARG 21 2HG ARG 21 1.550 0.175 -8.333 184 HG3 ARG 21 3HG ARG 21 2.453 -0.299 -6.893 185 HD2 ARG 21 2HD ARG 21 4.523 0.163 -7.906 186 HD3 ARG 21 3HD ARG 21 3.808 0.237 -9.519 187 HE ARG 21 HE ARG 21 2.634 2.229 -7.932 188 HH11 ARG 21 1HH1 ARG 21 5.705 1.464 -9.429 189 HH12 ARG 21 2HH1 ARG 21 6.194 3.126 -9.560 190 HH21 ARG 21 1HH2 ARG 21 3.282 4.426 -8.111 191 HH22 ARG 21 2HH2 ARG 21 4.832 4.791 -8.822 192 H SER 22 H SER 22 -0.211 -2.570 -9.766 193 HA SER 22 HA SER 22 -1.958 -0.534 -8.937 194 HB2 SER 22 2HB SER 22 -2.745 -2.844 -10.714 195 HB3 SER 22 3HB SER 22 -3.322 -1.174 -10.772 196 HG SER 22 HG SER 22 -1.209 -2.281 -12.010 197 H GLN 23 H GLN 23 -2.138 -4.037 -8.650 198 HA GLN 23 HA GLN 23 -4.641 -4.155 -7.356 199 HB2 GLN 23 2HB GLN 23 -3.639 -6.064 -8.515 200 HB3 GLN 23 3HB GLN 23 -2.335 -6.109 -7.339 201 HG2 GLN 23 2HG GLN 23 -3.802 -6.795 -5.614 202 HG3 GLN 23 3HG GLN 23 -5.221 -6.494 -6.614 203 HE21 GLN 23 1HE2 GLN 23 -2.545 -8.622 -6.003 204 HE22 GLN 23 2HE2 GLN 23 -3.111 -9.941 -6.962 205 H ALA 24 H ALA 24 -1.329 -3.866 -6.187 206 HA ALA 24 HA ALA 24 -1.913 -4.208 -3.443 207 HB1 ALA 24 3HB ALA 24 0.278 -3.221 -3.023 208 HB2 ALA 24 1HB ALA 24 0.373 -2.699 -4.706 209 HB3 ALA 24 2HB ALA 24 0.357 -4.418 -4.315 210 H LYS 25 H LYS 25 -1.655 -1.330 -5.503 211 HA LYS 25 HA LYS 25 -1.965 0.620 -3.543 212 HB2 LYS 25 2HB LYS 25 -1.338 1.068 -5.892 213 HB3 LYS 25 3HB LYS 25 -2.982 0.695 -6.391 214 HG2 LYS 25 2HG LYS 25 -3.826 2.593 -5.151 215 HG3 LYS 25 3HG LYS 25 -2.206 2.938 -4.540 216 HD2 LYS 25 2HD LYS 25 -1.426 3.335 -6.819 217 HD3 LYS 25 3HD LYS 25 -3.041 2.980 -7.436 218 HE2 LYS 25 2HE LYS 25 -2.333 5.219 -5.546 219 HE3 LYS 25 3HE LYS 25 -2.611 5.397 -7.277 220 HZ1 LYS 25 3HZ LYS 25 -4.849 4.128 -6.418 221 HZ2 LYS 25 1HZ LYS 25 -4.709 5.799 -6.677 222 HZ3 LYS 25 2HZ LYS 25 -4.501 5.163 -5.119 223 H ALA 26 H ALA 26 -4.417 -1.212 -5.323 224 HA ALA 26 HA ALA 26 -6.683 0.100 -4.279 225 HB1 ALA 26 3HB ALA 26 -6.751 -1.390 -6.236 226 HB2 ALA 26 1HB ALA 26 -7.941 -1.842 -5.014 227 HB3 ALA 26 2HB ALA 26 -6.451 -2.770 -5.180 228 H ARG 27 H ARG 27 -4.885 -2.739 -3.179 229 HA ARG 27 HA ARG 27 -6.477 -3.330 -0.925 230 HB2 ARG 27 2HB ARG 27 -4.896 -4.944 -1.831 231 HB3 ARG 27 3HB ARG 27 -3.550 -3.870 -1.486 232 HG2 ARG 27 2HG ARG 27 -3.316 -5.112 0.353 233 HG3 ARG 27 3HG ARG 27 -4.649 -4.145 0.981 234 HD2 ARG 27 2HD ARG 27 -4.968 -6.772 -0.458 235 HD3 ARG 27 3HD ARG 27 -4.926 -6.598 1.293 236 HE ARG 27 HE ARG 27 -6.993 -5.313 -0.379 237 HH11 ARG 27 1HH1 ARG 27 -6.039 -7.256 2.389 238 HH12 ARG 27 2HH1 ARG 27 -7.648 -7.362 3.025 239 HH21 ARG 27 1HH2 ARG 27 -9.109 -5.446 0.471 240 HH22 ARG 27 2HH2 ARG 27 -9.399 -6.320 1.945 241 H ILE 28 H ILE 28 -3.544 -1.369 -1.315 242 HA ILE 28 HA ILE 28 -3.122 -0.772 1.391 243 HB ILE 28 HB ILE 28 -2.356 0.840 -1.043 244 HG12 ILE 28 2HG1 ILE 28 -0.696 -1.068 0.608 245 HG13 ILE 28 3HG1 ILE 28 -1.515 -1.527 -0.880 246 HG21 ILE 28 1HG2 ILE 28 -0.659 1.870 0.395 247 HG22 ILE 28 2HG2 ILE 28 -1.322 1.012 1.787 248 HG23 ILE 28 3HG2 ILE 28 -2.294 2.226 0.954 249 HD11 ILE 28 3HD1 ILE 28 0.649 0.539 -0.602 250 HD12 ILE 28 1HD1 ILE 28 -0.198 0.144 -2.096 251 HD13 ILE 28 2HD1 ILE 28 0.806 -1.070 -1.305 252 H GLU 29 H GLU 29 -4.775 1.203 -1.107 253 HA GLU 29 HA GLU 29 -5.441 3.277 0.699 254 HB2 GLU 29 2HB GLU 29 -6.608 2.508 -1.976 255 HB3 GLU 29 3HB GLU 29 -7.138 3.922 -1.072 256 HG2 GLU 29 2HG GLU 29 -4.746 4.695 -1.084 257 HG3 GLU 29 3HG GLU 29 -4.408 3.383 -2.209 258 H GLN 30 H GLN 30 -6.986 0.252 -0.117 259 HA GLN 30 HA GLN 30 -9.454 0.779 1.197 260 HB2 GLN 30 2HB GLN 30 -9.117 -1.060 -0.443 261 HB3 GLN 30 3HB GLN 30 -8.095 -1.882 0.726 262 HG2 GLN 30 2HG GLN 30 -9.964 -2.128 2.240 263 HG3 GLN 30 3HG GLN 30 -11.002 -1.217 1.140 264 HE21 GLN 30 1HE2 GLN 30 -9.770 -2.458 -1.217 265 HE22 GLN 30 2HE2 GLN 30 -10.430 -4.053 -1.303 266 H LEU 31 H LEU 31 -6.381 -0.657 2.215 267 HA LEU 31 HA LEU 31 -7.121 -1.279 4.865 268 HB2 LEU 31 2HB LEU 31 -4.412 -0.544 3.746 269 HB3 LEU 31 3HB LEU 31 -4.690 -1.268 5.319 270 HG LEU 31 HG LEU 31 -5.365 -2.580 2.685 271 HD11 LEU 31 1HD1 LEU 31 -3.437 -4.011 3.107 272 HD12 LEU 31 2HD1 LEU 31 -3.047 -3.072 4.548 273 HD13 LEU 31 3HD1 LEU 31 -2.956 -2.320 2.955 274 HD21 LEU 31 3HD2 LEU 31 -6.778 -3.310 4.541 275 HD22 LEU 31 1HD2 LEU 31 -5.341 -3.665 5.499 276 HD23 LEU 31 2HD2 LEU 31 -5.674 -4.588 4.036 277 H ALA 32 H ALA 32 -5.792 1.634 3.372 278 HA ALA 32 HA ALA 32 -5.470 3.108 5.764 279 HB1 ALA 32 3HB ALA 32 -4.382 3.739 3.673 280 HB2 ALA 32 1HB ALA 32 -5.328 5.069 4.336 281 HB3 ALA 32 2HB ALA 32 -5.950 4.138 2.973 282 H ARG 33 H ARG 33 -8.180 2.755 3.514 283 HA ARG 33 HA ARG 33 -9.914 4.534 4.838 284 HB2 ARG 33 2HB ARG 33 -10.326 2.215 2.985 285 HB3 ARG 33 3HB ARG 33 -11.699 3.031 3.721 286 HG2 ARG 33 2HG ARG 33 -9.593 4.338 2.016 287 HG3 ARG 33 3HG ARG 33 -11.217 3.894 1.501 288 HD2 ARG 33 2HD ARG 33 -10.384 5.996 3.479 289 HD3 ARG 33 3HD ARG 33 -11.351 6.191 2.018 290 HE ARG 33 HE ARG 33 -12.959 4.617 3.397 291 HH11 ARG 33 1HH1 ARG 33 -11.164 7.446 4.471 292 HH12 ARG 33 2HH1 ARG 33 -12.251 7.780 5.790 293 HH21 ARG 33 1HH2 ARG 33 -14.374 5.071 5.146 294 HH22 ARG 33 2HH2 ARG 33 -14.058 6.446 6.166 295 H GLN 34 H GLN 34 -9.088 1.165 5.396 296 HA GLN 34 HA GLN 34 -11.069 0.613 7.332 297 HB2 GLN 34 2HB GLN 34 -9.635 -1.124 6.284 298 HB3 GLN 34 3HB GLN 34 -8.259 -0.494 7.181 299 HG2 GLN 34 2HG GLN 34 -9.598 -0.954 9.280 300 HG3 GLN 34 3HG GLN 34 -10.703 -1.862 8.252 301 HE21 GLN 34 1HE2 GLN 34 -8.472 -2.742 6.518 302 HE22 GLN 34 2HE2 GLN 34 -7.654 -3.980 7.413 303 H ALA 35 H ALA 35 -7.825 1.970 7.540 304 HA ALA 35 HA ALA 35 -7.901 2.376 10.371 305 HB1 ALA 35 3HB ALA 35 -5.865 3.670 10.034 306 HB2 ALA 35 1HB ALA 35 -6.133 3.660 8.292 307 HB3 ALA 35 2HB ALA 35 -5.792 2.152 9.139 308 H GLU 36 H GLU 36 -9.317 3.904 7.744 309 HA GLU 36 HA GLU 36 -10.678 5.682 7.505 310 HB2 GLU 36 2HB GLU 36 -10.556 5.729 10.523 311 HB3 GLU 36 3HB GLU 36 -11.672 6.678 9.552 312 HG2 GLU 36 2HG GLU 36 -12.646 4.624 8.656 313 HG3 GLU 36 3HG GLU 36 -11.527 3.675 9.630 314 H GLN 37 H GLN 37 -7.936 6.075 7.221 315 HA GLN 37 HA GLN 37 -7.756 8.919 7.937 316 HB2 GLN 37 2HB GLN 37 -5.349 8.696 8.259 317 HB3 GLN 37 3HB GLN 37 -6.217 7.640 9.363 318 HG2 GLN 37 2HG GLN 37 -5.801 5.779 7.711 319 HG3 GLN 37 3HG GLN 37 -4.700 6.882 6.886 320 HE21 GLN 37 1HE2 GLN 37 -2.865 5.702 7.295 321 HE22 GLN 37 2HE2 GLN 37 -2.195 5.520 8.879 322 H ASP 38 H ASP 38 -6.143 10.077 6.473 323 HA ASP 38 HA ASP 38 -6.765 9.229 3.726 324 HB2 ASP 38 2HB ASP 38 -6.045 11.879 4.951 325 HB3 ASP 38 3HB ASP 38 -5.948 11.622 3.216 326 H ILE 39 H ILE 39 -4.210 9.234 5.888 327 HA ILE 39 HA ILE 39 -2.188 9.420 3.755 328 HB ILE 39 HB ILE 39 -1.747 9.452 6.748 329 HG12 ILE 39 2HG1 ILE 39 -1.784 11.802 4.845 330 HG13 ILE 39 3HG1 ILE 39 -3.115 11.380 5.917 331 HG21 ILE 39 1HG2 ILE 39 0.189 8.739 5.457 332 HG22 ILE 39 2HG2 ILE 39 0.462 10.337 6.153 333 HG23 ILE 39 3HG2 ILE 39 0.060 10.177 4.443 334 HD11 ILE 39 3HD1 ILE 39 -0.337 12.145 6.779 335 HD12 ILE 39 1HD1 ILE 39 -1.680 11.742 7.849 336 HD13 ILE 39 2HD1 ILE 39 -1.762 13.179 6.832 337 H VAL 40 H VAL 40 -1.254 7.595 3.061 338 HA VAL 40 HA VAL 40 -1.720 5.151 4.591 339 HB VAL 40 HB VAL 40 -1.024 3.898 2.678 340 HG11 VAL 40 1HG1 VAL 40 -3.291 4.758 2.575 341 HG12 VAL 40 2HG1 VAL 40 -2.593 4.664 0.961 342 HG13 VAL 40 3HG1 VAL 40 -2.723 6.224 1.776 343 HG21 VAL 40 3HG2 VAL 40 -0.164 4.928 0.633 344 HG22 VAL 40 1HG2 VAL 40 0.894 5.245 2.008 345 HG23 VAL 40 2HG2 VAL 40 -0.189 6.506 1.419 346 H THR 41 H THR 41 -0.109 3.932 5.471 347 HA THR 41 HA THR 41 2.507 5.244 5.659 348 HB THR 41 HB THR 41 2.818 3.742 7.656 349 HG1 THR 41 HG1 THR 41 0.499 3.049 8.388 350 HG21 THR 41 3HG2 THR 41 1.336 5.024 9.133 351 HG22 THR 41 1HG2 THR 41 0.409 5.568 7.735 352 HG23 THR 41 2HG2 THR 41 2.089 6.066 7.926 353 HA PRO 42 HA PRO 42 4.602 1.956 3.493 354 HB2 PRO 42 2HB PRO 42 6.664 1.383 5.261 355 HB3 PRO 42 3HB PRO 42 6.688 2.688 4.071 356 HG2 PRO 42 2HG PRO 42 6.055 2.795 6.989 357 HG3 PRO 42 3HG PRO 42 6.969 3.944 5.994 358 HD2 PRO 42 2HD PRO 42 4.434 4.432 6.725 359 HD3 PRO 42 3HD PRO 42 5.048 4.918 5.130 360 H GLU 43 H GLU 43 3.718 1.603 6.831 361 HA GLU 43 HA GLU 43 3.964 -1.149 7.204 362 HB2 GLU 43 2HB GLU 43 3.502 0.243 9.083 363 HB3 GLU 43 3HB GLU 43 2.060 0.903 8.326 364 HG2 GLU 43 2HG GLU 43 0.961 -1.273 8.527 365 HG3 GLU 43 3HG GLU 43 2.407 -1.928 9.298 366 H LEU 44 H LEU 44 1.239 0.758 5.962 367 HA LEU 44 HA LEU 44 -0.462 -1.482 5.559 368 HB2 LEU 44 2HB LEU 44 -0.518 1.395 4.790 369 HB3 LEU 44 3HB LEU 44 -1.579 0.296 3.934 370 HG LEU 44 HG LEU 44 -2.694 -0.324 5.992 371 HD11 LEU 44 1HD1 LEU 44 -2.152 0.715 8.122 372 HD12 LEU 44 2HD1 LEU 44 -0.787 1.550 7.380 373 HD13 LEU 44 3HD1 LEU 44 -0.781 -0.208 7.509 374 HD21 LEU 44 3HD2 LEU 44 -3.486 1.654 4.818 375 HD22 LEU 44 1HD2 LEU 44 -2.380 2.663 5.751 376 HD23 LEU 44 2HD2 LEU 44 -3.704 1.822 6.560 377 H VAL 45 H VAL 45 1.812 0.254 3.510 378 HA VAL 45 HA VAL 45 1.190 -1.034 1.078 379 HB VAL 45 HB VAL 45 3.907 -0.030 1.947 380 HG11 VAL 45 1HG1 VAL 45 3.977 -1.430 -0.040 381 HG12 VAL 45 2HG1 VAL 45 4.300 0.254 -0.460 382 HG13 VAL 45 3HG1 VAL 45 2.717 -0.453 -0.794 383 HG21 VAL 45 3HG2 VAL 45 1.668 1.458 0.573 384 HG22 VAL 45 1HG2 VAL 45 3.292 2.080 0.857 385 HG23 VAL 45 2HG2 VAL 45 2.234 1.721 2.223 386 H GLU 46 H GLU 46 3.550 -1.763 3.612 387 HA GLU 46 HA GLU 46 4.584 -4.129 2.494 388 HB2 GLU 46 2HB GLU 46 5.535 -2.784 4.422 389 HB3 GLU 46 3HB GLU 46 4.298 -3.509 5.437 390 HG2 GLU 46 2HG GLU 46 6.390 -4.666 5.711 391 HG3 GLU 46 3HG GLU 46 5.203 -5.725 4.953 392 H GLN 47 H GLN 47 1.923 -3.528 4.753 393 HA GLN 47 HA GLN 47 1.148 -6.140 5.281 394 HB2 GLN 47 2HB GLN 47 0.217 -4.228 6.463 395 HB3 GLN 47 3HB GLN 47 -0.560 -3.663 4.992 396 HG2 GLN 47 2HG GLN 47 -2.147 -4.723 6.497 397 HG3 GLN 47 3HG GLN 47 -2.009 -5.610 4.980 398 HE21 GLN 47 1HE2 GLN 47 -2.778 -7.506 5.888 399 HE22 GLN 47 2HE2 GLN 47 -1.838 -8.458 6.981 400 H ALA 48 H ALA 48 0.085 -3.999 2.645 401 HA ALA 48 HA ALA 48 -1.639 -5.798 1.369 402 HB1 ALA 48 3HB ALA 48 -1.535 -3.403 0.852 403 HB2 ALA 48 1HB ALA 48 -1.392 -4.395 -0.599 404 HB3 ALA 48 2HB ALA 48 0.042 -3.639 0.099 405 H ARG 49 H ARG 49 1.847 -5.380 1.168 406 HA ARG 49 HA ARG 49 2.221 -7.099 -1.073 407 HB2 ARG 49 2HB ARG 49 3.867 -5.395 -0.373 408 HB3 ARG 49 3HB ARG 49 4.162 -6.295 1.105 409 HG2 ARG 49 2HG ARG 49 5.939 -6.854 -0.271 410 HG3 ARG 49 3HG ARG 49 4.842 -8.224 -0.425 411 HD2 ARG 49 2HD ARG 49 5.074 -5.930 -2.368 412 HD3 ARG 49 3HD ARG 49 5.799 -7.520 -2.580 413 HE ARG 49 HE ARG 49 2.916 -6.925 -2.648 414 HH11 ARG 49 1HH1 ARG 49 5.573 -9.122 -3.204 415 HH12 ARG 49 2HH1 ARG 49 4.690 -10.125 -4.312 416 HH21 ARG 49 1HH2 ARG 49 1.734 -8.252 -4.112 417 HH22 ARG 49 2HH2 ARG 49 2.506 -9.633 -4.833 418 H LEU 50 H LEU 50 2.275 -7.503 2.422 419 HA LEU 50 HA LEU 50 3.053 -10.212 2.504 420 HB2 LEU 50 2HB LEU 50 2.488 -8.256 4.357 421 HB3 LEU 50 3HB LEU 50 1.141 -9.357 4.560 422 HG LEU 50 HG LEU 50 2.918 -9.869 6.135 423 HD11 LEU 50 1HD1 LEU 50 3.251 -12.241 5.618 424 HD12 LEU 50 2HD1 LEU 50 2.664 -11.959 3.981 425 HD13 LEU 50 3HD1 LEU 50 1.584 -11.734 5.356 426 HD21 LEU 50 3HD2 LEU 50 4.796 -8.992 4.860 427 HD22 LEU 50 1HD2 LEU 50 4.638 -10.314 3.703 428 HD23 LEU 50 2HD2 LEU 50 5.101 -10.655 5.372 429 H GLU 51 H GLU 51 -0.080 -8.618 2.251 430 HA GLU 51 HA GLU 51 -1.806 -10.758 2.486 431 HB2 GLU 51 2HB GLU 51 -1.960 -8.324 0.709 432 HB3 GLU 51 3HB GLU 51 -3.287 -9.460 0.897 433 HG2 GLU 51 2HG GLU 51 -2.016 -7.972 3.174 434 HG3 GLU 51 3HG GLU 51 -3.452 -7.423 2.309 435 H PHE 52 H PHE 52 -0.257 -9.565 -0.495 436 HA PHE 52 HA PHE 52 -1.353 -11.697 -2.069 437 HB2 PHE 52 2HB PHE 52 0.943 -9.866 -2.793 438 HB3 PHE 52 3HB PHE 52 -0.067 -10.797 -3.899 439 HD1 PHE 52 HD1 PHE 52 -2.758 -10.284 -3.066 440 HD2 PHE 52 HD2 PHE 52 0.576 -7.640 -3.131 441 HE1 PHE 52 HE1 PHE 52 -4.289 -8.365 -3.251 442 HE2 PHE 52 HE2 PHE 52 -0.947 -5.720 -3.317 443 HZ PHE 52 HZ PHE 52 -3.383 -6.077 -3.374 444 H GLY 53 H GLY 53 1.493 -11.248 -0.175 445 HA2 GLY 53 2HA GLY 53 3.134 -13.247 -1.312 446 HA3 GLY 53 3HA GLY 53 3.239 -12.643 0.337 447 H GLN 54 H GLN 54 0.940 -13.375 1.500 448 HA GLN 54 HA GLN 54 1.252 -16.243 1.687 449 HB2 GLN 54 2HB GLN 54 -0.395 -16.054 3.534 450 HB3 GLN 54 3HB GLN 54 1.012 -15.023 3.738 451 HG2 GLN 54 2HG GLN 54 -0.281 -13.099 2.982 452 HG3 GLN 54 3HG GLN 54 -1.697 -14.130 2.774 453 HE21 GLN 54 1HE2 GLN 54 -1.317 -11.799 4.501 454 HE22 GLN 54 2HE2 GLN 54 -1.617 -12.342 6.120 455 H LEU 55 H LEU 55 -0.686 -14.139 -0.066 456 HA LEU 55 HA LEU 55 -3.094 -15.552 -0.303 457 HB2 LEU 55 2HB LEU 55 -2.658 -13.223 -1.079 458 HB3 LEU 55 3HB LEU 55 -1.710 -13.872 -2.399 459 HG LEU 55 HG LEU 55 -4.594 -14.652 -2.097 460 HD11 LEU 55 1HD1 LEU 55 -4.539 -12.214 -1.988 461 HD12 LEU 55 2HD1 LEU 55 -5.194 -12.759 -3.531 462 HD13 LEU 55 3HD1 LEU 55 -3.538 -12.160 -3.438 463 HD21 LEU 55 3HD2 LEU 55 -4.439 -14.860 -4.536 464 HD22 LEU 55 1HD2 LEU 55 -3.231 -15.861 -3.728 465 HD23 LEU 55 2HD2 LEU 55 -2.755 -14.336 -4.474 466 H GLU 56 H GLU 56 -0.101 -15.741 -2.207 467 HA GLU 56 HA GLU 56 -1.062 -18.316 -3.264 468 HB2 GLU 56 2HB GLU 56 -1.201 -16.679 -5.046 469 HB3 GLU 56 3HB GLU 56 0.456 -16.168 -4.754 470 HG2 GLU 56 2HG GLU 56 1.038 -18.644 -5.262 471 HG3 GLU 56 3HG GLU 56 -0.556 -18.674 -6.017 472 H HIS 57 H HIS 57 1.988 -16.526 -3.576 473 HA HIS 57 HA HIS 57 3.378 -19.036 -3.194 474 HB2 HIS 57 2HB HIS 57 5.408 -17.666 -3.898 475 HB3 HIS 57 3HB HIS 57 4.147 -17.901 -5.100 476 HD1 HIS 57 HD1 HIS 57 2.917 -15.832 -5.955 477 HD2 HIS 57 HD2 HIS 57 5.678 -15.012 -2.943 478 HE1 HIS 57 HE1 HIS 57 3.162 -13.324 -5.910 479 HE2 HIS 57 HE2 HIS 57 5.026 -12.888 -4.263 480 H HIS 58 H HIS 58 2.807 -19.100 -0.933 481 HA HIS 58 HA HIS 58 4.643 -17.520 0.744 482 HB2 HIS 58 2HB HIS 58 2.164 -17.580 1.298 483 HB3 HIS 58 3HB HIS 58 2.360 -19.292 1.653 484 HD1 HIS 58 HD1 HIS 58 1.843 -19.146 4.122 485 HD2 HIS 58 HD2 HIS 58 4.900 -16.577 2.941 486 HE1 HIS 58 HE1 HIS 58 2.828 -18.229 6.252 487 HE2 HIS 58 HE2 HIS 58 4.724 -16.737 5.520 488 H HIS 59 H HIS 59 4.775 -20.065 -1.036 489 HA HIS 59 HA HIS 59 6.182 -21.825 0.864 490 HB2 HIS 59 2HB HIS 59 4.227 -22.858 -0.209 491 HB3 HIS 59 3HB HIS 59 4.845 -22.424 -1.794 492 HD1 HIS 59 HD1 HIS 59 7.161 -23.691 -2.463 493 HD2 HIS 59 HD2 HIS 59 4.936 -25.318 0.645 494 HE1 HIS 59 HE1 HIS 59 7.955 -26.066 -2.236 495 HE2 HIS 59 HE2 HIS 59 6.604 -27.028 -0.334 496 H HIS 60 H HIS 60 8.359 -21.530 0.696 497 HA HIS 60 HA HIS 60 9.567 -20.122 -1.405 498 HB2 HIS 60 2HB HIS 60 11.728 -20.769 -0.483 499 HB3 HIS 60 3HB HIS 60 10.633 -20.291 0.802 500 HD1 HIS 60 HD1 HIS 60 12.668 -23.161 -0.435 501 HD2 HIS 60 HD2 HIS 60 9.854 -22.393 2.536 502 HE1 HIS 60 HE1 HIS 60 12.793 -25.111 1.145 503 HE2 HIS 60 HE2 HIS 60 11.176 -24.568 2.997 504 H HIS 61 H HIS 61 9.970 -20.666 -3.409 505 HA HIS 61 HA HIS 61 9.838 -23.454 -4.205 506 HB2 HIS 61 2HB HIS 61 9.905 -22.622 -6.513 507 HB3 HIS 61 3HB HIS 61 8.650 -21.823 -5.581 508 HD1 HIS 61 HD1 HIS 61 11.439 -21.155 -7.794 509 HD2 HIS 61 HD2 HIS 61 9.457 -19.109 -4.755 510 HE1 HIS 61 HE1 HIS 61 12.036 -18.724 -8.098 511 HE2 HIS 61 HE2 HIS 61 10.958 -17.531 -6.149 512 H HIS 62 H HIS 62 12.188 -21.416 -3.137 513 HA HIS 62 HA HIS 62 14.225 -23.283 -4.101 514 HB2 HIS 62 2HB HIS 62 14.363 -20.279 -4.113 515 HB3 HIS 62 3HB HIS 62 15.829 -21.224 -3.896 516 HD1 HIS 62 HD1 HIS 62 14.660 -19.384 -6.422 517 HD2 HIS 62 HD2 HIS 62 15.354 -23.483 -6.196 518 HE1 HIS 62 HE1 HIS 62 15.001 -20.152 -8.797 519 HE2 HIS 62 HE2 HIS 62 15.617 -22.591 -8.613 Start of MODEL 18 1 H1 MET 1 1H MET 1 -8.580 5.685 -5.736 2 H2 MET 1 2H MET 1 -9.529 4.871 -4.599 3 H3 MET 1 3H MET 1 -7.870 5.099 -4.311 4 HA MET 1 HA MET 1 -9.939 7.225 -4.474 5 HB2 MET 1 2HB MET 1 -8.355 6.140 -2.130 6 HB3 MET 1 3HB MET 1 -9.322 7.605 -2.077 7 HG2 MET 1 2HG MET 1 -10.380 4.848 -2.646 8 HG3 MET 1 3HG MET 1 -10.472 5.683 -1.096 9 HE1 MET 1 3HE MET 1 -14.179 5.733 -2.336 10 HE2 MET 1 1HE MET 1 -13.083 5.292 -1.025 11 HE3 MET 1 2HE MET 1 -12.997 4.443 -2.568 12 H ASN 2 H ASN 2 -6.575 6.331 -4.257 13 HA ASN 2 HA ASN 2 -4.636 7.448 -4.464 14 HB2 ASN 2 2HB ASN 2 -6.167 8.488 -6.454 15 HB3 ASN 2 3HB ASN 2 -5.775 9.948 -5.547 16 HD21 ASN 2 1HD2 ASN 2 -4.462 10.762 -7.163 17 HD22 ASN 2 2HD2 ASN 2 -2.906 10.087 -7.514 18 H LEU 3 H LEU 3 -4.855 7.451 -2.143 19 HA LEU 3 HA LEU 3 -5.627 9.894 -0.812 20 HB2 LEU 3 2HB LEU 3 -4.361 7.371 0.253 21 HB3 LEU 3 3HB LEU 3 -4.957 8.693 1.237 22 HG LEU 3 HG LEU 3 -6.626 6.906 -0.535 23 HD11 LEU 3 1HD1 LEU 3 -6.450 7.138 2.462 24 HD12 LEU 3 2HD1 LEU 3 -5.847 5.799 1.485 25 HD13 LEU 3 3HD1 LEU 3 -7.580 6.120 1.570 26 HD21 LEU 3 3HD2 LEU 3 -7.526 9.161 -0.492 27 HD22 LEU 3 1HD2 LEU 3 -7.441 9.178 1.270 28 HD23 LEU 3 2HD2 LEU 3 -8.545 8.074 0.451 29 H ARG 4 H ARG 4 -3.883 10.454 1.083 30 HA ARG 4 HA ARG 4 -1.666 11.554 -0.371 31 HB2 ARG 4 2HB ARG 4 -2.806 12.687 1.587 32 HB3 ARG 4 3HB ARG 4 -2.003 11.517 2.633 33 HG2 ARG 4 2HG ARG 4 0.149 12.335 1.400 34 HG3 ARG 4 3HG ARG 4 -0.840 13.749 1.040 35 HD2 ARG 4 2HD ARG 4 -1.267 14.035 3.446 36 HD3 ARG 4 3HD ARG 4 -0.231 12.649 3.782 37 HE ARG 4 HE ARG 4 0.615 15.295 3.382 38 HH11 ARG 4 1HH1 ARG 4 1.532 12.035 2.439 39 HH12 ARG 4 2HH1 ARG 4 3.198 12.448 2.167 40 HH21 ARG 4 1HH2 ARG 4 2.813 15.810 3.089 41 HH22 ARG 4 2HH2 ARG 4 3.925 14.582 2.563 42 H TRP 5 H TRP 5 -0.203 10.092 -1.073 43 HA TRP 5 HA TRP 5 0.638 7.898 0.604 44 HB2 TRP 5 2HB TRP 5 1.472 8.813 -2.148 45 HB3 TRP 5 3HB TRP 5 2.262 7.485 -1.316 46 HD1 TRP 5 HD1 TRP 5 -1.308 8.406 -2.553 47 HE1 TRP 5 HE1 TRP 5 -2.504 6.212 -3.207 48 HE3 TRP 5 HE3 TRP 5 2.319 5.079 -1.182 49 HZ2 TRP 5 HZ2 TRP 5 -1.954 3.447 -3.159 50 HZ3 TRP 5 HZ3 TRP 5 1.907 2.679 -1.523 51 HH2 TRP 5 HH2 TRP 5 -0.185 1.883 -2.488 52 H THR 6 H THR 6 2.209 7.983 2.034 53 HA THR 6 HA THR 6 3.877 10.260 2.371 54 HB THR 6 HB THR 6 5.084 8.799 4.037 55 HG1 THR 6 HG1 THR 6 3.051 6.889 3.864 56 HG21 THR 6 3HG2 THR 6 3.215 10.183 4.737 57 HG22 THR 6 1HG2 THR 6 3.185 8.644 5.595 58 HG23 THR 6 2HG2 THR 6 2.074 8.924 4.253 59 H SER 7 H SER 7 6.260 10.189 2.304 60 HA SER 7 HA SER 7 7.220 9.402 -0.212 61 HB2 SER 7 2HB SER 7 9.040 9.824 2.141 62 HB3 SER 7 3HB SER 7 9.245 10.345 0.468 63 HG SER 7 HG SER 7 7.696 11.931 0.784 64 H GLU 8 H GLU 8 7.375 7.902 2.963 65 HA GLU 8 HA GLU 8 9.043 5.726 2.227 66 HB2 GLU 8 2HB GLU 8 7.028 5.977 4.465 67 HB3 GLU 8 3HB GLU 8 8.211 4.683 4.315 68 HG2 GLU 8 2HG GLU 8 8.804 7.608 4.677 69 HG3 GLU 8 3HG GLU 8 8.957 6.345 5.899 70 H ALA 9 H ALA 9 5.538 6.194 2.292 71 HA ALA 9 HA ALA 9 4.789 3.543 1.731 72 HB1 ALA 9 3HB ALA 9 2.648 4.469 1.035 73 HB2 ALA 9 1HB ALA 9 3.351 6.085 0.985 74 HB3 ALA 9 2HB ALA 9 3.207 5.233 2.525 75 H LYS 10 H LYS 10 5.321 6.307 -0.443 76 HA LYS 10 HA LYS 10 4.892 5.052 -2.880 77 HB2 LYS 10 2HB LYS 10 6.947 7.158 -2.181 78 HB3 LYS 10 3HB LYS 10 6.457 6.734 -3.816 79 HG2 LYS 10 2HG LYS 10 4.257 7.567 -3.454 80 HG3 LYS 10 3HG LYS 10 4.562 7.775 -1.728 81 HD2 LYS 10 2HD LYS 10 6.236 9.472 -2.211 82 HD3 LYS 10 3HD LYS 10 5.991 9.239 -3.943 83 HE2 LYS 10 2HE LYS 10 3.858 10.140 -2.016 84 HE3 LYS 10 3HE LYS 10 4.823 11.224 -3.017 85 HZ1 LYS 10 3HZ LYS 10 3.024 9.086 -4.037 86 HZ2 LYS 10 1HZ LYS 10 3.938 10.153 -4.987 87 HZ3 LYS 10 2HZ LYS 10 2.674 10.743 -4.019 88 H THR 11 H THR 11 7.847 5.191 -0.931 89 HA THR 11 HA THR 11 9.494 3.809 -2.759 90 HB THR 11 HB THR 11 9.808 3.991 0.244 91 HG1 THR 11 HG1 THR 11 9.761 6.077 -0.443 92 HG21 THR 11 3HG2 THR 11 12.208 3.744 -0.240 93 HG22 THR 11 1HG2 THR 11 11.840 3.542 -1.952 94 HG23 THR 11 2HG2 THR 11 11.295 2.339 -0.784 95 H LYS 12 H LYS 12 7.580 2.690 0.032 96 HA LYS 12 HA LYS 12 8.298 -0.032 -0.132 97 HB2 LYS 12 2HB LYS 12 5.843 1.353 0.940 98 HB3 LYS 12 3HB LYS 12 6.032 -0.394 1.003 99 HG2 LYS 12 2HG LYS 12 7.986 1.543 2.218 100 HG3 LYS 12 3HG LYS 12 6.640 0.815 3.095 101 HD2 LYS 12 2HD LYS 12 7.547 -1.422 2.561 102 HD3 LYS 12 3HD LYS 12 8.928 -0.647 1.780 103 HE2 LYS 12 2HE LYS 12 9.501 0.439 3.910 104 HE3 LYS 12 3HE LYS 12 8.137 -0.369 4.679 105 HZ1 LYS 12 3HZ LYS 12 10.252 -1.504 5.080 106 HZ2 LYS 12 1HZ LYS 12 10.445 -1.752 3.414 107 HZ3 LYS 12 2HZ LYS 12 9.162 -2.496 4.244 108 H LEU 13 H LEU 13 5.820 1.864 -1.748 109 HA LEU 13 HA LEU 13 4.418 -0.256 -2.962 110 HB2 LEU 13 2HB LEU 13 3.567 2.042 -2.739 111 HB3 LEU 13 3HB LEU 13 4.768 2.599 -3.886 112 HG LEU 13 HG LEU 13 3.710 1.220 -5.642 113 HD11 LEU 13 1HD1 LEU 13 2.745 -0.512 -4.225 114 HD12 LEU 13 2HD1 LEU 13 1.512 0.235 -5.240 115 HD13 LEU 13 3HD1 LEU 13 1.628 0.664 -3.534 116 HD21 LEU 13 3HD2 LEU 13 1.804 3.090 -4.243 117 HD22 LEU 13 1HD2 LEU 13 1.746 2.611 -5.940 118 HD23 LEU 13 2HD2 LEU 13 3.097 3.575 -5.340 119 H LYS 14 H LYS 14 7.339 1.445 -3.824 120 HA LYS 14 HA LYS 14 7.487 0.512 -6.515 121 HB2 LYS 14 2HB LYS 14 9.635 1.578 -4.677 122 HB3 LYS 14 3HB LYS 14 9.845 1.281 -6.398 123 HG2 LYS 14 2HG LYS 14 8.172 2.948 -6.920 124 HG3 LYS 14 3HG LYS 14 7.867 3.209 -5.201 125 HD2 LYS 14 2HD LYS 14 10.200 3.945 -4.921 126 HD3 LYS 14 3HD LYS 14 10.457 3.735 -6.657 127 HE2 LYS 14 2HE LYS 14 8.748 5.406 -7.122 128 HE3 LYS 14 3HE LYS 14 8.446 5.591 -5.394 129 HZ1 LYS 14 3HZ LYS 14 9.873 7.344 -6.229 130 HZ2 LYS 14 1HZ LYS 14 11.001 6.206 -6.778 131 HZ3 LYS 14 2HZ LYS 14 10.714 6.379 -5.118 132 H ASN 15 H ASN 15 8.009 -0.982 -3.526 133 HA ASN 15 HA ASN 15 9.912 -2.930 -4.497 134 HB2 ASN 15 2HB ASN 15 8.486 -2.478 -1.907 135 HB3 ASN 15 3HB ASN 15 9.184 -4.063 -2.235 136 HD21 ASN 15 1HD2 ASN 15 9.861 -0.699 -1.638 137 HD22 ASN 15 2HD2 ASN 15 11.555 -0.901 -1.337 138 H ILE 16 H ILE 16 6.569 -2.466 -4.597 139 HA ILE 16 HA ILE 16 5.866 -5.267 -4.820 140 HB ILE 16 HB ILE 16 4.210 -2.793 -5.361 141 HG12 ILE 16 2HG1 ILE 16 4.300 -4.558 -2.900 142 HG13 ILE 16 3HG1 ILE 16 5.061 -2.976 -3.023 143 HG21 ILE 16 1HG2 ILE 16 2.282 -4.299 -5.121 144 HG22 ILE 16 2HG2 ILE 16 3.381 -5.668 -4.960 145 HG23 ILE 16 3HG2 ILE 16 3.312 -4.766 -6.474 146 HD11 ILE 16 3HD1 ILE 16 2.874 -1.950 -3.332 147 HD12 ILE 16 1HD1 ILE 16 2.954 -2.862 -1.826 148 HD13 ILE 16 2HD1 ILE 16 2.111 -3.535 -3.222 149 HA PRO 17 HA PRO 17 7.033 -5.615 -9.116 150 HB2 PRO 17 2HB PRO 17 4.865 -7.658 -9.083 151 HB3 PRO 17 3HB PRO 17 6.537 -7.797 -9.641 152 HG2 PRO 17 2HG PRO 17 5.793 -8.873 -7.325 153 HG3 PRO 17 3HG PRO 17 7.370 -8.082 -7.498 154 HD2 PRO 17 2HD PRO 17 4.887 -7.095 -6.168 155 HD3 PRO 17 3HD PRO 17 6.584 -6.866 -5.705 156 H PHE 18 H PHE 18 6.224 -5.094 -11.133 157 HA PHE 18 HA PHE 18 4.262 -3.118 -11.221 158 HB2 PHE 18 2HB PHE 18 6.016 -3.281 -12.899 159 HB3 PHE 18 3HB PHE 18 5.365 -4.812 -13.472 160 HD1 PHE 18 HD2 PHE 18 4.785 -1.183 -13.305 161 HD2 PHE 18 HD1 PHE 18 3.523 -4.891 -14.966 162 HE1 PHE 18 HE2 PHE 18 3.370 0.025 -14.918 163 HE2 PHE 18 HE1 PHE 18 2.111 -3.694 -16.582 164 HZ PHE 18 HZ PHE 18 2.032 -1.232 -16.561 165 H PHE 19 H PHE 19 4.036 -6.551 -11.919 166 HA PHE 19 HA PHE 19 1.535 -6.630 -13.142 167 HB2 PHE 19 2HB PHE 19 3.075 -8.527 -13.118 168 HB3 PHE 19 3HB PHE 19 2.868 -8.702 -11.382 169 HD1 PHE 19 HD1 PHE 19 1.006 -8.834 -14.591 170 HD2 PHE 19 HD2 PHE 19 1.215 -10.082 -10.528 171 HE1 PHE 19 HE1 PHE 19 -0.865 -10.387 -14.973 172 HE2 PHE 19 HE2 PHE 19 -0.653 -11.636 -10.904 173 HZ PHE 19 HZ PHE 19 -1.696 -11.789 -13.130 174 H ALA 20 H ALA 20 2.379 -6.235 -9.789 175 HA ALA 20 HA ALA 20 -0.470 -6.456 -9.067 176 HB1 ALA 20 3HB ALA 20 0.898 -8.192 -8.017 177 HB2 ALA 20 1HB ALA 20 0.220 -7.086 -6.823 178 HB3 ALA 20 2HB ALA 20 1.916 -6.948 -7.290 179 H ARG 21 H ARG 21 1.581 -4.190 -9.860 180 HA ARG 21 HA ARG 21 1.906 -2.497 -7.657 181 HB2 ARG 21 2HB ARG 21 2.097 -2.230 -10.584 182 HB3 ARG 21 3HB ARG 21 1.800 -0.731 -9.714 183 HG2 ARG 21 2HG ARG 21 4.012 -2.613 -8.953 184 HG3 ARG 21 3HG ARG 21 4.219 -1.338 -10.156 185 HD2 ARG 21 2HD ARG 21 3.154 -0.762 -7.406 186 HD3 ARG 21 3HD ARG 21 4.885 -0.818 -7.734 187 HE ARG 21 HE ARG 21 4.665 1.086 -9.109 188 HH11 ARG 21 1HH1 ARG 21 1.629 0.210 -7.585 189 HH12 ARG 21 2HH1 ARG 21 0.912 1.766 -7.850 190 HH21 ARG 21 1HH2 ARG 21 3.742 3.131 -9.406 191 HH22 ARG 21 2HH2 ARG 21 2.122 3.441 -8.837 192 H SER 22 H SER 22 -0.604 -2.343 -10.188 193 HA SER 22 HA SER 22 -2.006 -0.250 -8.847 194 HB2 SER 22 2HB SER 22 -2.970 -2.072 -11.064 195 HB3 SER 22 3HB SER 22 -3.674 -0.520 -10.599 196 HG SER 22 HG SER 22 -2.234 0.434 -11.778 197 H GLN 23 H GLN 23 -2.118 -3.718 -8.807 198 HA GLN 23 HA GLN 23 -4.725 -4.014 -7.726 199 HB2 GLN 23 2HB GLN 23 -3.417 -5.820 -8.874 200 HB3 GLN 23 3HB GLN 23 -2.370 -5.896 -7.464 201 HG2 GLN 23 2HG GLN 23 -3.985 -7.665 -7.366 202 HG3 GLN 23 3HG GLN 23 -4.306 -6.497 -6.082 203 HE21 GLN 23 1HE2 GLN 23 -5.404 -7.830 -9.091 204 HE22 GLN 23 2HE2 GLN 23 -7.007 -7.171 -9.029 205 H ALA 24 H ALA 24 -1.480 -4.113 -6.255 206 HA ALA 24 HA ALA 24 -2.350 -4.378 -3.593 207 HB1 ALA 24 3HB ALA 24 -0.056 -4.857 -4.308 208 HB2 ALA 24 1HB ALA 24 -0.089 -3.699 -2.976 209 HB3 ALA 24 2HB ALA 24 0.200 -3.142 -4.625 210 H LYS 25 H LYS 25 -1.640 -1.544 -5.588 211 HA LYS 25 HA LYS 25 -1.785 0.462 -3.681 212 HB2 LYS 25 2HB LYS 25 -1.128 0.787 -6.052 213 HB3 LYS 25 3HB LYS 25 -2.808 0.584 -6.525 214 HG2 LYS 25 2HG LYS 25 -3.415 2.573 -5.254 215 HG3 LYS 25 3HG LYS 25 -1.734 2.772 -4.760 216 HD2 LYS 25 2HD LYS 25 -1.140 2.910 -7.197 217 HD3 LYS 25 3HD LYS 25 -2.868 2.961 -7.544 218 HE2 LYS 25 2HE LYS 25 -1.392 4.930 -5.799 219 HE3 LYS 25 3HE LYS 25 -1.811 5.199 -7.487 220 HZ1 LYS 25 3HZ LYS 25 -4.190 4.868 -6.795 221 HZ2 LYS 25 1HZ LYS 25 -3.445 6.264 -6.184 222 HZ3 LYS 25 2HZ LYS 25 -3.663 4.919 -5.182 223 H ALA 26 H ALA 26 -4.404 -1.038 -5.541 224 HA ALA 26 HA ALA 26 -6.522 0.514 -4.565 225 HB1 ALA 26 3HB ALA 26 -6.717 -0.975 -6.506 226 HB2 ALA 26 1HB ALA 26 -7.976 -1.293 -5.313 227 HB3 ALA 26 2HB ALA 26 -6.589 -2.374 -5.441 228 H ARG 27 H ARG 27 -5.122 -2.526 -3.347 229 HA ARG 27 HA ARG 27 -6.980 -2.764 -1.204 230 HB2 ARG 27 2HB ARG 27 -5.793 -4.722 -2.000 231 HB3 ARG 27 3HB ARG 27 -4.249 -4.004 -1.564 232 HG2 ARG 27 2HG ARG 27 -4.681 -4.211 0.740 233 HG3 ARG 27 3HG ARG 27 -6.391 -4.542 0.468 234 HD2 ARG 27 2HD ARG 27 -4.145 -6.345 -0.423 235 HD3 ARG 27 3HD ARG 27 -5.041 -6.545 1.082 236 HE ARG 27 HE ARG 27 -6.547 -6.501 -1.427 237 HH11 ARG 27 1HH1 ARG 27 -5.321 -8.316 1.311 238 HH12 ARG 27 2HH1 ARG 27 -6.329 -9.694 1.009 239 HH21 ARG 27 1HH2 ARG 27 -7.861 -8.317 -1.835 240 HH22 ARG 27 2HH2 ARG 27 -7.767 -9.703 -0.778 241 H ILE 28 H ILE 28 -3.767 -1.303 -1.465 242 HA ILE 28 HA ILE 28 -3.312 -0.815 1.255 243 HB ILE 28 HB ILE 28 -2.435 0.828 -1.128 244 HG12 ILE 28 2HG1 ILE 28 -0.880 -1.210 0.472 245 HG13 ILE 28 3HG1 ILE 28 -1.729 -1.595 -1.023 246 HG21 ILE 28 1HG2 ILE 28 -0.688 1.717 0.350 247 HG22 ILE 28 2HG2 ILE 28 -1.415 0.858 1.711 248 HG23 ILE 28 3HG2 ILE 28 -2.305 2.151 0.907 249 HD11 ILE 28 3HD1 ILE 28 0.636 -1.231 -1.408 250 HD12 ILE 28 1HD1 ILE 28 0.507 0.392 -0.730 251 HD13 ILE 28 2HD1 ILE 28 -0.334 -0.009 -2.227 252 H GLU 29 H GLU 29 -4.905 1.227 -1.183 253 HA GLU 29 HA GLU 29 -5.460 3.333 0.649 254 HB2 GLU 29 2HB GLU 29 -6.729 2.731 -2.025 255 HB3 GLU 29 3HB GLU 29 -6.865 4.247 -1.141 256 HG2 GLU 29 2HG GLU 29 -4.410 4.501 -1.287 257 HG3 GLU 29 3HG GLU 29 -4.352 3.051 -2.283 258 H GLN 30 H GLN 30 -7.054 0.381 -0.185 259 HA GLN 30 HA GLN 30 -9.571 0.981 1.023 260 HB2 GLN 30 2HB GLN 30 -9.082 -0.913 -0.590 261 HB3 GLN 30 3HB GLN 30 -8.254 -1.731 0.721 262 HG2 GLN 30 2HG GLN 30 -11.124 -0.897 0.947 263 HG3 GLN 30 3HG GLN 30 -10.653 -2.417 0.192 264 HE21 GLN 30 1HE2 GLN 30 -9.624 -3.996 1.480 265 HE22 GLN 30 2HE2 GLN 30 -9.818 -4.018 3.202 266 H LEU 31 H LEU 31 -6.653 -0.723 2.101 267 HA LEU 31 HA LEU 31 -7.391 -1.251 4.736 268 HB2 LEU 31 2HB LEU 31 -4.657 -0.626 3.621 269 HB3 LEU 31 3HB LEU 31 -4.959 -1.350 5.189 270 HG LEU 31 HG LEU 31 -5.780 -2.628 2.580 271 HD11 LEU 31 1HD1 LEU 31 -3.350 -2.399 2.687 272 HD12 LEU 31 2HD1 LEU 31 -3.849 -4.081 2.855 273 HD13 LEU 31 3HD1 LEU 31 -3.345 -3.167 4.276 274 HD21 LEU 31 3HD2 LEU 31 -7.050 -3.336 4.554 275 HD22 LEU 31 1HD2 LEU 31 -5.542 -3.733 5.377 276 HD23 LEU 31 2HD2 LEU 31 -6.024 -4.632 3.939 277 H ALA 32 H ALA 32 -5.881 1.622 3.325 278 HA ALA 32 HA ALA 32 -5.431 3.046 5.700 279 HB1 ALA 32 3HB ALA 32 -4.510 3.675 3.505 280 HB2 ALA 32 1HB ALA 32 -5.313 5.022 4.312 281 HB3 ALA 32 2HB ALA 32 -6.121 4.176 2.990 282 H ARG 33 H ARG 33 -8.263 2.989 3.550 283 HA ARG 33 HA ARG 33 -9.812 4.804 5.058 284 HB2 ARG 33 2HB ARG 33 -10.598 2.619 3.129 285 HB3 ARG 33 3HB ARG 33 -11.753 3.733 3.848 286 HG2 ARG 33 2HG ARG 33 -10.553 5.617 2.835 287 HG3 ARG 33 3HG ARG 33 -9.425 4.483 2.091 288 HD2 ARG 33 2HD ARG 33 -12.401 4.414 1.634 289 HD3 ARG 33 3HD ARG 33 -11.282 5.309 0.606 290 HE ARG 33 HE ARG 33 -10.190 3.067 0.224 291 HH11 ARG 33 1HH1 ARG 33 -13.581 3.310 1.096 292 HH12 ARG 33 2HH1 ARG 33 -14.033 1.876 0.222 293 HH21 ARG 33 1HH2 ARG 33 -10.808 1.179 -0.951 294 HH22 ARG 33 2HH2 ARG 33 -12.470 0.672 -0.926 295 H GLN 34 H GLN 34 -9.389 1.319 5.193 296 HA GLN 34 HA GLN 34 -11.357 0.760 7.131 297 HB2 GLN 34 2HB GLN 34 -10.308 -0.979 5.776 298 HB3 GLN 34 3HB GLN 34 -8.751 -0.650 6.525 299 HG2 GLN 34 2HG GLN 34 -9.627 -1.396 8.674 300 HG3 GLN 34 3HG GLN 34 -11.193 -1.713 7.931 301 HE21 GLN 34 1HE2 GLN 34 -7.885 -2.753 8.207 302 HE22 GLN 34 2HE2 GLN 34 -8.109 -4.316 7.491 303 H ALA 35 H ALA 35 -8.019 1.813 7.368 304 HA ALA 35 HA ALA 35 -8.032 1.726 10.269 305 HB1 ALA 35 3HB ALA 35 -5.965 2.795 8.353 306 HB2 ALA 35 1HB ALA 35 -5.987 1.178 9.054 307 HB3 ALA 35 2HB ALA 35 -5.751 2.586 10.091 308 H GLU 36 H GLU 36 -9.272 3.748 7.985 309 HA GLU 36 HA GLU 36 -10.214 5.802 8.037 310 HB2 GLU 36 2HB GLU 36 -9.655 5.630 11.004 311 HB3 GLU 36 3HB GLU 36 -10.677 6.844 10.240 312 HG2 GLU 36 2HG GLU 36 -12.177 5.069 9.457 313 HG3 GLU 36 3HG GLU 36 -11.161 3.870 10.258 314 H GLN 37 H GLN 37 -7.461 5.572 7.424 315 HA GLN 37 HA GLN 37 -6.542 8.235 8.293 316 HB2 GLN 37 2HB GLN 37 -4.244 7.516 7.971 317 HB3 GLN 37 3HB GLN 37 -5.050 6.454 9.112 318 HG2 GLN 37 2HG GLN 37 -5.334 4.783 7.333 319 HG3 GLN 37 3HG GLN 37 -4.486 5.849 6.215 320 HE21 GLN 37 1HE2 GLN 37 -3.607 5.491 9.577 321 HE22 GLN 37 2HE2 GLN 37 -2.109 4.688 9.301 322 H ASP 38 H ASP 38 -5.958 9.676 6.752 323 HA ASP 38 HA ASP 38 -6.682 9.007 3.997 324 HB2 ASP 38 2HB ASP 38 -5.874 11.687 5.158 325 HB3 ASP 38 3HB ASP 38 -6.638 11.401 3.600 326 H ILE 39 H ILE 39 -4.044 9.160 5.983 327 HA ILE 39 HA ILE 39 -2.142 9.611 3.783 328 HB ILE 39 HB ILE 39 -1.668 9.770 6.768 329 HG12 ILE 39 2HG1 ILE 39 -1.823 12.046 4.785 330 HG13 ILE 39 3HG1 ILE 39 -3.154 11.571 5.836 331 HG21 ILE 39 1HG2 ILE 39 0.470 10.813 6.123 332 HG22 ILE 39 2HG2 ILE 39 0.100 10.465 4.433 333 HG23 ILE 39 3HG2 ILE 39 0.326 9.141 5.578 334 HD11 ILE 39 3HD1 ILE 39 -0.453 12.535 6.744 335 HD12 ILE 39 1HD1 ILE 39 -1.793 12.067 7.791 336 HD13 ILE 39 2HD1 ILE 39 -1.948 13.472 6.738 337 H VAL 40 H VAL 40 -1.487 7.690 2.977 338 HA VAL 40 HA VAL 40 -1.769 5.293 4.555 339 HB VAL 40 HB VAL 40 -1.056 4.056 2.609 340 HG11 VAL 40 1HG1 VAL 40 -2.890 6.308 1.806 341 HG12 VAL 40 2HG1 VAL 40 -3.364 4.844 2.668 342 HG13 VAL 40 3HG1 VAL 40 -2.764 4.737 1.012 343 HG21 VAL 40 3HG2 VAL 40 -0.476 6.698 1.289 344 HG22 VAL 40 1HG2 VAL 40 -0.338 5.103 0.552 345 HG23 VAL 40 2HG2 VAL 40 0.744 5.562 1.872 346 H THR 41 H THR 41 -0.301 4.343 5.714 347 HA THR 41 HA THR 41 2.360 5.496 5.839 348 HB THR 41 HB THR 41 2.619 3.990 7.826 349 HG1 THR 41 HG1 THR 41 -0.118 3.487 7.904 350 HG21 THR 41 3HG2 THR 41 1.829 6.296 8.090 351 HG22 THR 41 1HG2 THR 41 1.076 5.227 9.273 352 HG23 THR 41 2HG2 THR 41 0.165 5.756 7.857 353 HA PRO 42 HA PRO 42 4.464 2.376 3.533 354 HB2 PRO 42 2HB PRO 42 6.605 1.850 5.205 355 HB3 PRO 42 3HB PRO 42 6.522 3.207 4.077 356 HG2 PRO 42 2HG PRO 42 5.945 3.145 7.013 357 HG3 PRO 42 3HG PRO 42 6.805 4.375 6.066 358 HD2 PRO 42 2HD PRO 42 4.274 4.744 6.845 359 HD3 PRO 42 3HD PRO 42 4.830 5.294 5.248 360 H GLU 43 H GLU 43 3.645 1.852 6.858 361 HA GLU 43 HA GLU 43 4.172 -0.886 7.120 362 HB2 GLU 43 2HB GLU 43 1.812 0.476 8.399 363 HB3 GLU 43 3HB GLU 43 2.819 -0.807 9.053 364 HG2 GLU 43 2HG GLU 43 3.646 2.059 8.645 365 HG3 GLU 43 3HG GLU 43 3.223 1.305 10.179 366 H LEU 44 H LEU 44 1.228 0.843 6.154 367 HA LEU 44 HA LEU 44 -0.334 -1.471 5.687 368 HB2 LEU 44 2HB LEU 44 -0.576 1.429 5.115 369 HB3 LEU 44 3HB LEU 44 -1.584 0.349 4.174 370 HG LEU 44 HG LEU 44 -2.540 -0.560 6.264 371 HD11 LEU 44 1HD1 LEU 44 -0.675 -0.152 7.768 372 HD12 LEU 44 2HD1 LEU 44 -2.151 0.595 8.379 373 HD13 LEU 44 3HD1 LEU 44 -0.914 1.589 7.610 374 HD21 LEU 44 3HD2 LEU 44 -3.670 1.248 5.105 375 HD22 LEU 44 1HD2 LEU 44 -2.714 2.436 5.994 376 HD23 LEU 44 2HD2 LEU 44 -3.863 1.407 6.851 377 H VAL 45 H VAL 45 1.728 0.500 3.632 378 HA VAL 45 HA VAL 45 0.988 -0.657 1.168 379 HB VAL 45 HB VAL 45 3.661 0.525 1.933 380 HG11 VAL 45 1HG1 VAL 45 2.402 0.071 -0.772 381 HG12 VAL 45 2HG1 VAL 45 3.805 -0.770 -0.111 382 HG13 VAL 45 3HG1 VAL 45 3.900 0.952 -0.475 383 HG21 VAL 45 3HG2 VAL 45 1.847 2.084 2.351 384 HG22 VAL 45 1HG2 VAL 45 1.225 1.825 0.720 385 HG23 VAL 45 2HG2 VAL 45 2.795 2.596 0.955 386 H GLU 46 H GLU 46 3.607 -1.434 3.449 387 HA GLU 46 HA GLU 46 4.580 -3.634 1.933 388 HB2 GLU 46 2HB GLU 46 5.968 -2.484 3.600 389 HB3 GLU 46 3HB GLU 46 4.895 -3.036 4.880 390 HG2 GLU 46 2HG GLU 46 5.498 -5.323 4.476 391 HG3 GLU 46 3HG GLU 46 6.451 -4.862 3.067 392 H GLN 47 H GLN 47 2.266 -3.293 4.562 393 HA GLN 47 HA GLN 47 1.800 -5.950 5.181 394 HB2 GLN 47 2HB GLN 47 0.842 -3.874 6.301 395 HB3 GLN 47 3HB GLN 47 -0.353 -3.836 5.014 396 HG2 GLN 47 2HG GLN 47 0.034 -6.227 6.783 397 HG3 GLN 47 3HG GLN 47 -1.043 -4.898 7.200 398 HE21 GLN 47 1HE2 GLN 47 -1.488 -7.763 6.565 399 HE22 GLN 47 2HE2 GLN 47 -2.686 -7.770 5.325 400 H ALA 48 H ALA 48 0.268 -3.949 2.671 401 HA ALA 48 HA ALA 48 -1.414 -5.979 1.680 402 HB1 ALA 48 3HB ALA 48 -1.807 -3.617 1.212 403 HB2 ALA 48 1HB ALA 48 -1.702 -4.547 -0.281 404 HB3 ALA 48 2HB ALA 48 -0.338 -3.554 0.236 405 H ARG 49 H ARG 49 1.935 -5.160 1.028 406 HA ARG 49 HA ARG 49 2.257 -6.785 -1.279 407 HB2 ARG 49 2HB ARG 49 3.884 -5.031 -0.545 408 HB3 ARG 49 3HB ARG 49 4.363 -6.096 0.773 409 HG2 ARG 49 2HG ARG 49 4.968 -7.811 -0.957 410 HG3 ARG 49 3HG ARG 49 4.692 -6.568 -2.179 411 HD2 ARG 49 2HD ARG 49 6.394 -5.163 -1.140 412 HD3 ARG 49 3HD ARG 49 6.652 -6.396 0.092 413 HE ARG 49 HE ARG 49 7.014 -7.355 -2.595 414 HH11 ARG 49 1HH1 ARG 49 8.597 -5.838 0.145 415 HH12 ARG 49 2HH1 ARG 49 10.195 -6.285 -0.384 416 HH21 ARG 49 1HH2 ARG 49 9.119 -7.965 -3.256 417 HH22 ARG 49 2HH2 ARG 49 10.486 -7.500 -2.285 418 H LEU 50 H LEU 50 2.277 -7.373 2.155 419 HA LEU 50 HA LEU 50 3.198 -10.089 1.865 420 HB2 LEU 50 2HB LEU 50 2.497 -8.324 4.130 421 HB3 LEU 50 3HB LEU 50 2.261 -10.045 4.382 422 HG LEU 50 HG LEU 50 4.442 -9.462 5.183 423 HD11 LEU 50 1HD1 LEU 50 5.850 -10.887 3.736 424 HD12 LEU 50 2HD1 LEU 50 4.563 -10.873 2.526 425 HD13 LEU 50 3HD1 LEU 50 4.283 -11.605 4.107 426 HD21 LEU 50 3HD2 LEU 50 4.766 -7.394 3.923 427 HD22 LEU 50 1HD2 LEU 50 4.968 -8.326 2.439 428 HD23 LEU 50 2HD2 LEU 50 6.149 -8.473 3.741 429 H GLU 51 H GLU 51 0.118 -8.454 2.042 430 HA GLU 51 HA GLU 51 -1.571 -10.629 2.465 431 HB2 GLU 51 2HB GLU 51 -1.878 -8.214 0.678 432 HB3 GLU 51 3HB GLU 51 -3.158 -9.400 0.890 433 HG2 GLU 51 2HG GLU 51 -1.897 -7.860 3.140 434 HG3 GLU 51 3HG GLU 51 -3.372 -7.370 2.306 435 H PHE 52 H PHE 52 -0.213 -9.415 -0.576 436 HA PHE 52 HA PHE 52 -1.174 -11.718 -2.040 437 HB2 PHE 52 2HB PHE 52 0.662 -9.467 -2.900 438 HB3 PHE 52 3HB PHE 52 -0.021 -10.689 -3.968 439 HD1 PHE 52 HD1 PHE 52 -2.596 -10.845 -4.050 440 HD2 PHE 52 HD2 PHE 52 -0.468 -7.480 -2.547 441 HE1 PHE 52 HE1 PHE 52 -4.587 -9.440 -4.394 442 HE2 PHE 52 HE2 PHE 52 -2.455 -6.067 -2.888 443 HZ PHE 52 HZ PHE 52 -4.520 -7.048 -3.810 444 H GLY 53 H GLY 53 1.596 -10.802 -0.283 445 HA2 GLY 53 2HA GLY 53 3.468 -12.562 -1.533 446 HA3 GLY 53 3HA GLY 53 3.669 -11.754 0.015 447 H GLN 54 H GLN 54 1.128 -12.896 1.046 448 HA GLN 54 HA GLN 54 2.172 -15.506 1.779 449 HB2 GLN 54 2HB GLN 54 -0.239 -13.964 2.740 450 HB3 GLN 54 3HB GLN 54 0.189 -15.566 3.321 451 HG2 GLN 54 2HG GLN 54 1.804 -13.043 3.617 452 HG3 GLN 54 3HG GLN 54 0.956 -13.919 4.888 453 HE21 GLN 54 1HE2 GLN 54 3.746 -13.837 2.834 454 HE22 GLN 54 2HE2 GLN 54 4.627 -15.089 3.631 455 H LEU 55 H LEU 55 -0.493 -14.135 -0.064 456 HA LEU 55 HA LEU 55 -1.758 -16.632 -0.598 457 HB2 LEU 55 2HB LEU 55 -1.810 -14.044 -2.157 458 HB3 LEU 55 3HB LEU 55 -2.849 -15.419 -2.473 459 HG LEU 55 HG LEU 55 -2.832 -13.765 0.054 460 HD11 LEU 55 1HD1 LEU 55 -3.783 -12.574 -1.836 461 HD12 LEU 55 2HD1 LEU 55 -5.041 -13.034 -0.689 462 HD13 LEU 55 3HD1 LEU 55 -4.838 -13.944 -2.185 463 HD21 LEU 55 3HD2 LEU 55 -3.382 -16.108 0.496 464 HD22 LEU 55 1HD2 LEU 55 -4.622 -16.054 -0.757 465 HD23 LEU 55 2HD2 LEU 55 -4.792 -15.068 0.694 466 H GLU 56 H GLU 56 0.838 -14.828 -2.027 467 HA GLU 56 HA GLU 56 2.413 -15.278 -3.565 468 HB2 GLU 56 2HB GLU 56 1.771 -18.159 -2.926 469 HB3 GLU 56 3HB GLU 56 3.221 -17.579 -3.738 470 HG2 GLU 56 2HG GLU 56 3.659 -16.196 -1.671 471 HG3 GLU 56 3HG GLU 56 2.387 -17.134 -0.892 472 H HIS 57 H HIS 57 1.138 -14.365 -5.212 473 HA HIS 57 HA HIS 57 -0.355 -16.167 -6.938 474 HB2 HIS 57 2HB HIS 57 -1.016 -13.736 -6.286 475 HB3 HIS 57 3HB HIS 57 0.169 -13.256 -7.498 476 HD1 HIS 57 HD1 HIS 57 -2.965 -15.381 -7.236 477 HD2 HIS 57 HD2 HIS 57 -0.828 -13.159 -10.034 478 HE1 HIS 57 HE1 HIS 57 -4.389 -15.352 -9.315 479 HE2 HIS 57 HE2 HIS 57 -3.017 -14.123 -11.036 480 H HIS 58 H HIS 58 2.032 -17.131 -7.006 481 HA HIS 58 HA HIS 58 3.834 -15.881 -8.844 482 HB2 HIS 58 2HB HIS 58 5.178 -17.910 -8.642 483 HB3 HIS 58 3HB HIS 58 4.667 -17.351 -7.058 484 HD1 HIS 58 HD1 HIS 58 4.654 -20.281 -9.246 485 HD2 HIS 58 HD2 HIS 58 2.559 -18.985 -5.892 486 HE1 HIS 58 HE1 HIS 58 3.539 -22.327 -8.310 487 HE2 HIS 58 HE2 HIS 58 2.157 -21.501 -6.374 488 H HIS 59 H HIS 59 4.595 -16.969 -10.857 489 HA HIS 59 HA HIS 59 2.439 -18.378 -12.238 490 HB2 HIS 59 2HB HIS 59 2.569 -16.849 -14.178 491 HB3 HIS 59 3HB HIS 59 1.962 -16.066 -12.728 492 HD1 HIS 59 HD1 HIS 59 4.184 -15.490 -15.440 493 HD2 HIS 59 HD2 HIS 59 4.205 -14.548 -11.390 494 HE1 HIS 59 HE1 HIS 59 5.782 -13.565 -15.200 495 HE2 HIS 59 HE2 HIS 59 5.585 -12.875 -12.785 496 H HIS 60 H HIS 60 3.371 -18.475 -14.764 497 HA HIS 60 HA HIS 60 5.137 -20.656 -14.423 498 HB2 HIS 60 2HB HIS 60 4.234 -19.292 -16.964 499 HB3 HIS 60 3HB HIS 60 5.065 -20.839 -16.889 500 HD1 HIS 60 HD1 HIS 60 1.832 -19.633 -17.397 501 HD2 HIS 60 HD2 HIS 60 3.408 -22.606 -14.947 502 HE1 HIS 60 HE1 HIS 60 -0.100 -21.137 -16.821 503 HE2 HIS 60 HE2 HIS 60 0.845 -22.820 -15.194 504 H HIS 61 H HIS 61 7.203 -20.492 -13.995 505 HA HIS 61 HA HIS 61 9.405 -19.992 -14.141 506 HB2 HIS 61 2HB HIS 61 8.671 -19.431 -17.019 507 HB3 HIS 61 3HB HIS 61 10.315 -19.603 -16.420 508 HD1 HIS 61 HD1 HIS 61 8.440 -21.451 -18.460 509 HD2 HIS 61 HD2 HIS 61 9.921 -22.355 -14.678 510 HE1 HIS 61 HE1 HIS 61 8.501 -23.962 -18.335 511 HE2 HIS 61 HE2 HIS 61 9.598 -24.479 -16.127 512 H HIS 62 H HIS 62 8.880 -18.121 -12.735 513 HA HIS 62 HA HIS 62 10.528 -15.996 -13.434 514 HB2 HIS 62 2HB HIS 62 8.523 -15.411 -14.906 515 HB3 HIS 62 3HB HIS 62 7.639 -15.101 -13.415 516 HD1 HIS 62 HD1 HIS 62 10.018 -13.596 -15.770 517 HD2 HIS 62 HD2 HIS 62 8.676 -12.853 -11.902 518 HE1 HIS 62 HE1 HIS 62 10.747 -11.250 -15.238 519 HE2 HIS 62 HE2 HIS 62 9.769 -10.756 -12.971 Start of MODEL 19 1 H1 MET 1 1H MET 1 -10.474 9.245 -3.347 2 H2 MET 1 2H MET 1 -11.665 8.256 -4.044 3 H3 MET 1 3H MET 1 -10.803 9.348 -5.010 4 HA MET 1 HA MET 1 -9.705 6.974 -3.627 5 HB2 MET 1 2HB MET 1 -11.149 6.791 -5.802 6 HB3 MET 1 3HB MET 1 -9.730 7.455 -6.596 7 HG2 MET 1 2HG MET 1 -8.394 5.590 -5.873 8 HG3 MET 1 3HG MET 1 -9.736 4.954 -4.923 9 HE1 MET 1 3HE MET 1 -9.671 2.256 -7.662 10 HE2 MET 1 1HE MET 1 -9.833 2.595 -5.939 11 HE3 MET 1 2HE MET 1 -8.331 2.986 -6.775 12 H ASN 2 H ASN 2 -7.431 6.529 -4.442 13 HA ASN 2 HA ASN 2 -5.260 7.150 -4.567 14 HB2 ASN 2 2HB ASN 2 -6.395 9.584 -5.951 15 HB3 ASN 2 3HB ASN 2 -4.670 9.301 -5.750 16 HD21 ASN 2 1HD2 ASN 2 -6.323 9.513 -8.154 17 HD22 ASN 2 2HD2 ASN 2 -6.040 8.049 -9.041 18 H LEU 3 H LEU 3 -5.169 7.185 -2.336 19 HA LEU 3 HA LEU 3 -5.718 9.586 -0.860 20 HB2 LEU 3 2HB LEU 3 -4.368 7.028 -0.006 21 HB3 LEU 3 3HB LEU 3 -4.927 8.298 1.067 22 HG LEU 3 HG LEU 3 -6.660 6.550 -0.678 23 HD11 LEU 3 1HD1 LEU 3 -6.349 6.708 2.313 24 HD12 LEU 3 2HD1 LEU 3 -5.780 5.399 1.277 25 HD13 LEU 3 3HD1 LEU 3 -7.509 5.699 1.450 26 HD21 LEU 3 3HD2 LEU 3 -7.424 8.752 1.235 27 HD22 LEU 3 1HD2 LEU 3 -8.544 7.672 0.405 28 HD23 LEU 3 2HD2 LEU 3 -7.564 8.810 -0.521 29 H ARG 4 H ARG 4 -3.839 10.083 0.874 30 HA ARG 4 HA ARG 4 -1.668 11.076 -0.773 31 HB2 ARG 4 2HB ARG 4 -2.648 12.640 0.776 32 HB3 ARG 4 3HB ARG 4 -2.378 11.546 2.127 33 HG2 ARG 4 2HG ARG 4 -0.006 11.836 1.965 34 HG3 ARG 4 3HG ARG 4 -0.178 12.773 0.479 35 HD2 ARG 4 2HD ARG 4 -1.156 14.587 1.615 36 HD3 ARG 4 3HD ARG 4 -1.450 13.628 3.064 37 HE ARG 4 HE ARG 4 1.177 13.531 3.021 38 HH11 ARG 4 1HH1 ARG 4 -0.893 16.270 2.300 39 HH12 ARG 4 2HH1 ARG 4 0.258 17.444 2.870 40 HH21 ARG 4 1HH2 ARG 4 2.676 15.067 3.798 41 HH22 ARG 4 2HH2 ARG 4 2.279 16.761 3.737 42 H TRP 5 H TRP 5 0.204 10.111 -0.980 43 HA TRP 5 HA TRP 5 0.814 7.843 0.748 44 HB2 TRP 5 2HB TRP 5 1.998 8.715 -1.900 45 HB3 TRP 5 3HB TRP 5 2.512 7.293 -0.999 46 HD1 TRP 5 HD1 TRP 5 -0.660 8.641 -2.776 47 HE1 TRP 5 HE1 TRP 5 -2.013 6.624 -3.614 48 HE3 TRP 5 HE3 TRP 5 2.208 4.887 -0.839 49 HZ2 TRP 5 HZ2 TRP 5 -1.882 3.805 -3.473 50 HZ3 TRP 5 HZ3 TRP 5 1.529 2.557 -1.241 51 HH2 TRP 5 HH2 TRP 5 -0.473 2.028 -2.533 52 H THR 6 H THR 6 2.293 7.999 2.301 53 HA THR 6 HA THR 6 3.972 10.254 2.663 54 HB THR 6 HB THR 6 5.212 8.750 4.285 55 HG1 THR 6 HG1 THR 6 3.111 6.903 4.031 56 HG21 THR 6 3HG2 THR 6 3.387 10.169 5.037 57 HG22 THR 6 1HG2 THR 6 3.349 8.624 5.886 58 HG23 THR 6 2HG2 THR 6 2.215 8.934 4.571 59 H SER 7 H SER 7 6.363 10.232 2.558 60 HA SER 7 HA SER 7 7.311 9.505 0.045 61 HB2 SER 7 2HB SER 7 9.618 9.803 1.297 62 HB3 SER 7 3HB SER 7 8.555 11.186 1.024 63 HG SER 7 HG SER 7 9.032 9.733 3.405 64 H GLU 8 H GLU 8 7.536 7.845 3.136 65 HA GLU 8 HA GLU 8 9.257 5.759 2.295 66 HB2 GLU 8 2HB GLU 8 7.244 5.862 4.551 67 HB3 GLU 8 3HB GLU 8 8.423 4.578 4.331 68 HG2 GLU 8 2HG GLU 8 9.182 6.112 6.015 69 HG3 GLU 8 3HG GLU 8 10.231 6.215 4.604 70 H ALA 9 H ALA 9 5.752 6.102 2.464 71 HA ALA 9 HA ALA 9 5.054 3.489 1.715 72 HB1 ALA 9 3HB ALA 9 2.874 4.410 1.141 73 HB2 ALA 9 1HB ALA 9 3.538 6.043 1.199 74 HB3 ALA 9 2HB ALA 9 3.455 5.072 2.669 75 H LYS 10 H LYS 10 5.739 6.376 -0.211 76 HA LYS 10 HA LYS 10 5.073 5.292 -2.721 77 HB2 LYS 10 2HB LYS 10 7.117 7.421 -2.052 78 HB3 LYS 10 3HB LYS 10 6.494 7.086 -3.662 79 HG2 LYS 10 2HG LYS 10 4.231 7.670 -2.864 80 HG3 LYS 10 3HG LYS 10 4.926 8.096 -1.298 81 HD2 LYS 10 2HD LYS 10 6.338 9.783 -2.430 82 HD3 LYS 10 3HD LYS 10 5.543 9.387 -3.957 83 HE2 LYS 10 2HE LYS 10 3.369 9.997 -2.896 84 HE3 LYS 10 3HE LYS 10 4.266 10.546 -1.481 85 HZ1 LYS 10 3HZ LYS 10 5.472 12.088 -3.009 86 HZ2 LYS 10 1HZ LYS 10 3.817 12.425 -2.829 87 HZ3 LYS 10 2HZ LYS 10 4.374 11.653 -4.230 88 H THR 11 H THR 11 8.110 5.342 -0.898 89 HA THR 11 HA THR 11 9.697 4.056 -2.844 90 HB THR 11 HB THR 11 10.077 3.849 0.149 91 HG1 THR 11 HG1 THR 11 10.241 6.029 -1.566 92 HG21 THR 11 3HG2 THR 11 12.461 3.783 -0.456 93 HG22 THR 11 1HG2 THR 11 12.024 3.860 -2.163 94 HG23 THR 11 2HG2 THR 11 11.570 2.456 -1.198 95 H LYS 12 H LYS 12 7.827 2.798 -0.095 96 HA LYS 12 HA LYS 12 8.472 0.080 -0.447 97 HB2 LYS 12 2HB LYS 12 6.224 1.520 0.919 98 HB3 LYS 12 3HB LYS 12 6.204 -0.234 0.787 99 HG2 LYS 12 2HG LYS 12 8.467 1.330 2.005 100 HG3 LYS 12 3HG LYS 12 7.128 0.640 2.926 101 HD2 LYS 12 2HD LYS 12 7.730 -1.597 2.087 102 HD3 LYS 12 3HD LYS 12 9.086 -0.892 1.207 103 HE2 LYS 12 2HE LYS 12 10.115 -0.185 3.271 104 HE3 LYS 12 3HE LYS 12 8.718 -0.730 4.195 105 HZ1 LYS 12 3HZ LYS 12 10.596 -2.291 4.267 106 HZ2 LYS 12 1HZ LYS 12 10.474 -2.511 2.590 107 HZ3 LYS 12 2HZ LYS 12 9.202 -2.991 3.603 108 H LEU 13 H LEU 13 5.947 2.090 -1.855 109 HA LEU 13 HA LEU 13 4.493 0.024 -3.104 110 HB2 LEU 13 2HB LEU 13 3.730 2.392 -2.846 111 HB3 LEU 13 3HB LEU 13 4.875 2.856 -4.088 112 HG LEU 13 HG LEU 13 3.671 1.400 -5.700 113 HD11 LEU 13 1HD1 LEU 13 1.653 1.125 -3.476 114 HD12 LEU 13 2HD1 LEU 13 2.701 -0.162 -4.077 115 HD13 LEU 13 3HD1 LEU 13 1.473 0.539 -5.131 116 HD21 LEU 13 3HD2 LEU 13 3.186 3.776 -5.600 117 HD22 LEU 13 1HD2 LEU 13 1.999 3.499 -4.329 118 HD23 LEU 13 2HD2 LEU 13 1.719 2.862 -5.948 119 H LYS 14 H LYS 14 7.400 1.752 -3.960 120 HA LYS 14 HA LYS 14 7.580 0.776 -6.633 121 HB2 LYS 14 2HB LYS 14 9.614 2.028 -4.788 122 HB3 LYS 14 3HB LYS 14 9.947 1.613 -6.467 123 HG2 LYS 14 2HG LYS 14 8.320 3.174 -7.249 124 HG3 LYS 14 3HG LYS 14 7.740 3.465 -5.607 125 HD2 LYS 14 2HD LYS 14 9.857 4.476 -5.003 126 HD3 LYS 14 3HD LYS 14 10.518 4.108 -6.599 127 HE2 LYS 14 2HE LYS 14 8.095 5.840 -6.153 128 HE3 LYS 14 3HE LYS 14 9.737 6.472 -6.281 129 HZ1 LYS 14 3HZ LYS 14 9.910 5.717 -8.496 130 HZ2 LYS 14 1HZ LYS 14 8.403 6.491 -8.384 131 HZ3 LYS 14 2HZ LYS 14 8.489 4.798 -8.391 132 H ASN 15 H ASN 15 8.035 -0.719 -3.653 133 HA ASN 15 HA ASN 15 10.084 -2.577 -4.495 134 HB2 ASN 15 2HB ASN 15 8.232 -2.499 -2.112 135 HB3 ASN 15 3HB ASN 15 9.276 -3.874 -2.432 136 HD21 ASN 15 1HD2 ASN 15 10.134 -0.503 -3.001 137 HD22 ASN 15 2HD2 ASN 15 11.349 -0.425 -1.768 138 H ILE 16 H ILE 16 6.686 -2.239 -4.812 139 HA ILE 16 HA ILE 16 6.156 -5.075 -5.074 140 HB ILE 16 HB ILE 16 4.275 -2.793 -5.692 141 HG12 ILE 16 2HG1 ILE 16 4.695 -4.236 -3.062 142 HG13 ILE 16 3HG1 ILE 16 5.179 -2.578 -3.402 143 HG21 ILE 16 1HG2 ILE 16 2.533 -4.453 -5.207 144 HG22 ILE 16 2HG2 ILE 16 3.777 -5.674 -4.939 145 HG23 ILE 16 3HG2 ILE 16 3.569 -4.963 -6.542 146 HD11 ILE 16 3HD1 ILE 16 2.814 -1.995 -3.751 147 HD12 ILE 16 1HD1 ILE 16 3.144 -2.596 -2.126 148 HD13 ILE 16 2HD1 ILE 16 2.369 -3.646 -3.314 149 HA PRO 17 HA PRO 17 7.125 -5.362 -9.442 150 HB2 PRO 17 2HB PRO 17 5.078 -7.519 -9.232 151 HB3 PRO 17 3HB PRO 17 6.696 -7.569 -9.939 152 HG2 PRO 17 2HG PRO 17 6.217 -8.679 -7.566 153 HG3 PRO 17 3HG PRO 17 7.732 -7.814 -7.881 154 HD2 PRO 17 2HD PRO 17 5.344 -6.949 -6.313 155 HD3 PRO 17 3HD PRO 17 7.065 -6.615 -6.029 156 H PHE 18 H PHE 18 6.161 -4.650 -11.317 157 HA PHE 18 HA PHE 18 3.994 -2.908 -11.058 158 HB2 PHE 18 2HB PHE 18 4.071 -2.653 -13.482 159 HB3 PHE 18 3HB PHE 18 5.700 -2.683 -12.817 160 HD1 PHE 18 HD2 PHE 18 3.237 -4.496 -14.836 161 HD2 PHE 18 HD1 PHE 18 7.211 -4.488 -13.317 162 HE1 PHE 18 HE2 PHE 18 3.841 -6.279 -16.416 163 HE2 PHE 18 HE1 PHE 18 7.822 -6.268 -14.899 164 HZ PHE 18 HZ PHE 18 6.135 -7.167 -16.451 165 H PHE 19 H PHE 19 4.055 -6.284 -11.823 166 HA PHE 19 HA PHE 19 1.547 -6.521 -13.075 167 HB2 PHE 19 2HB PHE 19 3.190 -8.296 -13.211 168 HB3 PHE 19 3HB PHE 19 3.151 -8.520 -11.467 169 HD1 PHE 19 HD1 PHE 19 1.038 -8.748 -14.511 170 HD2 PHE 19 HD2 PHE 19 1.691 -10.050 -10.510 171 HE1 PHE 19 HE1 PHE 19 -0.723 -10.443 -14.779 172 HE2 PHE 19 HE2 PHE 19 -0.068 -11.749 -10.770 173 HZ PHE 19 HZ PHE 19 -1.281 -11.948 -12.907 174 H ALA 20 H ALA 20 2.468 -6.291 -9.714 175 HA ALA 20 HA ALA 20 -0.326 -6.846 -8.939 176 HB1 ALA 20 3HB ALA 20 2.188 -7.374 -7.355 177 HB2 ALA 20 1HB ALA 20 1.187 -8.585 -8.160 178 HB3 ALA 20 2HB ALA 20 0.537 -7.665 -6.801 179 H ARG 21 H ARG 21 1.896 -4.394 -9.210 180 HA ARG 21 HA ARG 21 1.766 -3.161 -6.682 181 HB2 ARG 21 2HB ARG 21 3.478 -2.661 -8.417 182 HB3 ARG 21 3HB ARG 21 2.248 -1.791 -9.325 183 HG2 ARG 21 2HG ARG 21 1.945 -0.260 -7.432 184 HG3 ARG 21 3HG ARG 21 3.213 -1.114 -6.554 185 HD2 ARG 21 2HD ARG 21 3.550 0.344 -9.171 186 HD3 ARG 21 3HD ARG 21 4.047 0.932 -7.586 187 HE ARG 21 HE ARG 21 5.240 -1.574 -8.091 188 HH11 ARG 21 1HH1 ARG 21 5.407 1.789 -9.046 189 HH12 ARG 21 2HH1 ARG 21 7.093 1.726 -9.460 190 HH21 ARG 21 1HH2 ARG 21 7.441 -1.688 -8.635 191 HH22 ARG 21 2HH2 ARG 21 8.260 -0.283 -9.249 192 H SER 22 H SER 22 -0.205 -2.676 -9.598 193 HA SER 22 HA SER 22 -1.633 -0.463 -8.495 194 HB2 SER 22 2HB SER 22 -1.427 -0.833 -10.937 195 HB3 SER 22 3HB SER 22 -2.418 -2.283 -10.789 196 HG SER 22 HG SER 22 -3.378 -0.040 -11.338 197 H GLN 23 H GLN 23 -2.153 -3.925 -8.690 198 HA GLN 23 HA GLN 23 -4.777 -3.927 -7.620 199 HB2 GLN 23 2HB GLN 23 -3.806 -5.788 -8.931 200 HB3 GLN 23 3HB GLN 23 -2.691 -6.116 -7.612 201 HG2 GLN 23 2HG GLN 23 -4.420 -6.828 -6.194 202 HG3 GLN 23 3HG GLN 23 -5.664 -6.190 -7.265 203 HE21 GLN 23 1HE2 GLN 23 -2.878 -7.904 -8.447 204 HE22 GLN 23 2HE2 GLN 23 -3.717 -9.332 -8.955 205 H ALA 24 H ALA 24 -1.561 -4.253 -6.207 206 HA ALA 24 HA ALA 24 -2.411 -4.649 -3.537 207 HB1 ALA 24 3HB ALA 24 -0.148 -5.197 -4.268 208 HB2 ALA 24 1HB ALA 24 -0.121 -4.059 -2.920 209 HB3 ALA 24 2HB ALA 24 0.177 -3.489 -4.563 210 H LYS 25 H LYS 25 -1.650 -1.781 -5.441 211 HA LYS 25 HA LYS 25 -1.786 0.142 -3.436 212 HB2 LYS 25 2HB LYS 25 -0.981 0.708 -5.630 213 HB3 LYS 25 3HB LYS 25 -2.525 0.291 -6.359 214 HG2 LYS 25 2HG LYS 25 -3.585 2.175 -5.328 215 HG3 LYS 25 3HG LYS 25 -2.126 2.541 -4.404 216 HD2 LYS 25 2HD LYS 25 -0.919 3.059 -6.421 217 HD3 LYS 25 3HD LYS 25 -2.282 2.541 -7.413 218 HE2 LYS 25 2HE LYS 25 -2.370 4.830 -5.455 219 HE3 LYS 25 3HE LYS 25 -2.069 5.008 -7.182 220 HZ1 LYS 25 3HZ LYS 25 -4.247 3.922 -7.564 221 HZ2 LYS 25 1HZ LYS 25 -4.362 5.412 -6.768 222 HZ3 LYS 25 2HZ LYS 25 -4.537 3.971 -5.893 223 H ALA 26 H ALA 26 -4.383 -1.215 -5.443 224 HA ALA 26 HA ALA 26 -6.508 0.281 -4.397 225 HB1 ALA 26 3HB ALA 26 -6.540 -2.563 -5.409 226 HB2 ALA 26 1HB ALA 26 -6.718 -1.112 -6.394 227 HB3 ALA 26 2HB ALA 26 -7.951 -1.526 -5.203 228 H ARG 27 H ARG 27 -5.003 -2.713 -3.298 229 HA ARG 27 HA ARG 27 -6.721 -3.236 -1.118 230 HB2 ARG 27 2HB ARG 27 -5.113 -4.860 -2.100 231 HB3 ARG 27 3HB ARG 27 -3.790 -3.932 -1.416 232 HG2 ARG 27 2HG ARG 27 -4.179 -5.817 -0.021 233 HG3 ARG 27 3HG ARG 27 -4.729 -4.381 0.844 234 HD2 ARG 27 2HD ARG 27 -7.029 -4.870 0.260 235 HD3 ARG 27 3HD ARG 27 -6.512 -6.250 -0.711 236 HE ARG 27 HE ARG 27 -5.574 -7.062 1.561 237 HH11 ARG 27 1HH1 ARG 27 -8.551 -5.310 1.072 238 HH12 ARG 27 2HH1 ARG 27 -9.317 -5.946 2.495 239 HH21 ARG 27 1HH2 ARG 27 -6.569 -7.955 3.384 240 HH22 ARG 27 2HH2 ARG 27 -8.197 -7.481 3.806 241 H ILE 28 H ILE 28 -3.681 -1.440 -1.380 242 HA ILE 28 HA ILE 28 -3.323 -0.793 1.320 243 HB ILE 28 HB ILE 28 -2.514 0.812 -1.113 244 HG12 ILE 28 2HG1 ILE 28 -0.845 -1.110 0.510 245 HG13 ILE 28 3HG1 ILE 28 -1.711 -1.592 -0.943 246 HG21 ILE 28 1HG2 ILE 28 -2.454 2.144 0.943 247 HG22 ILE 28 2HG2 ILE 28 -0.831 1.827 0.329 248 HG23 ILE 28 3HG2 ILE 28 -1.445 0.915 1.706 249 HD11 ILE 28 3HD1 ILE 28 0.601 -1.143 -1.446 250 HD12 ILE 28 1HD1 ILE 28 0.464 0.479 -0.765 251 HD13 ILE 28 2HD1 ILE 28 -0.429 0.057 -2.227 252 H GLU 29 H GLU 29 -4.912 1.070 -1.270 253 HA GLU 29 HA GLU 29 -5.661 3.288 0.237 254 HB2 GLU 29 2HB GLU 29 -7.014 1.996 -2.136 255 HB3 GLU 29 3HB GLU 29 -7.513 3.541 -1.459 256 HG2 GLU 29 2HG GLU 29 -5.279 4.449 -1.918 257 HG3 GLU 29 3HG GLU 29 -4.815 2.911 -2.644 258 H GLN 30 H GLN 30 -7.254 0.167 -0.169 259 HA GLN 30 HA GLN 30 -9.625 0.876 1.231 260 HB2 GLN 30 2HB GLN 30 -9.299 -1.078 -0.384 261 HB3 GLN 30 3HB GLN 30 -8.531 -1.919 0.954 262 HG2 GLN 30 2HG GLN 30 -10.553 -1.809 2.251 263 HG3 GLN 30 3HG GLN 30 -11.334 -0.823 1.014 264 HE21 GLN 30 1HE2 GLN 30 -10.403 -3.995 1.976 265 HE22 GLN 30 2HE2 GLN 30 -11.185 -4.846 0.685 266 H LEU 31 H LEU 31 -6.582 -0.652 2.162 267 HA LEU 31 HA LEU 31 -7.257 -1.293 4.819 268 HB2 LEU 31 2HB LEU 31 -4.581 -0.617 3.596 269 HB3 LEU 31 3HB LEU 31 -4.789 -1.267 5.210 270 HG LEU 31 HG LEU 31 -5.661 -2.690 2.693 271 HD11 LEU 31 1HD1 LEU 31 -3.693 -4.104 3.021 272 HD12 LEU 31 2HD1 LEU 31 -3.169 -3.062 4.348 273 HD13 LEU 31 3HD1 LEU 31 -3.248 -2.426 2.704 274 HD21 LEU 31 3HD2 LEU 31 -5.329 -3.685 5.523 275 HD22 LEU 31 1HD2 LEU 31 -5.844 -4.636 4.131 276 HD23 LEU 31 2HD2 LEU 31 -6.869 -3.335 4.736 277 H ALA 32 H ALA 32 -5.962 1.645 3.361 278 HA ALA 32 HA ALA 32 -5.454 3.027 5.771 279 HB1 ALA 32 3HB ALA 32 -4.488 3.700 3.630 280 HB2 ALA 32 1HB ALA 32 -5.356 5.034 4.393 281 HB3 ALA 32 2HB ALA 32 -6.089 4.157 3.051 282 H ARG 33 H ARG 33 -8.330 2.732 3.750 283 HA ARG 33 HA ARG 33 -9.872 4.658 5.151 284 HB2 ARG 33 2HB ARG 33 -10.767 2.264 3.535 285 HB3 ARG 33 3HB ARG 33 -11.819 3.564 4.087 286 HG2 ARG 33 2HG ARG 33 -10.609 5.164 2.744 287 HG3 ARG 33 3HG ARG 33 -9.455 3.922 2.257 288 HD2 ARG 33 2HD ARG 33 -11.409 2.661 1.278 289 HD3 ARG 33 3HD ARG 33 -12.379 4.106 1.562 290 HE ARG 33 HE ARG 33 -10.813 5.289 0.073 291 HH11 ARG 33 1HH1 ARG 33 -11.137 1.813 -0.155 292 HH12 ARG 33 2HH1 ARG 33 -10.436 1.715 -1.747 293 HH21 ARG 33 1HH2 ARG 33 -9.915 5.181 -2.032 294 HH22 ARG 33 2HH2 ARG 33 -9.746 3.636 -2.812 295 H GLN 34 H GLN 34 -9.137 1.291 5.710 296 HA GLN 34 HA GLN 34 -11.080 0.937 7.791 297 HB2 GLN 34 2HB GLN 34 -8.578 -0.664 7.212 298 HB3 GLN 34 3HB GLN 34 -9.899 -1.158 8.262 299 HG2 GLN 34 2HG GLN 34 -11.412 -1.073 6.299 300 HG3 GLN 34 3HG GLN 34 -10.007 -0.744 5.288 301 HE21 GLN 34 1HE2 GLN 34 -8.309 -2.514 6.936 302 HE22 GLN 34 2HE2 GLN 34 -8.744 -4.126 6.473 303 H ALA 35 H ALA 35 -7.749 1.979 7.591 304 HA ALA 35 HA ALA 35 -7.412 2.237 10.435 305 HB1 ALA 35 3HB ALA 35 -5.482 1.962 8.945 306 HB2 ALA 35 1HB ALA 35 -5.370 3.460 9.870 307 HB3 ALA 35 2HB ALA 35 -5.858 3.503 8.175 308 H GLU 36 H GLU 36 -9.111 3.856 8.071 309 HA GLU 36 HA GLU 36 -10.460 5.655 8.070 310 HB2 GLU 36 2HB GLU 36 -9.896 5.601 11.033 311 HB3 GLU 36 3HB GLU 36 -11.070 6.670 10.276 312 HG2 GLU 36 2HG GLU 36 -12.266 4.692 9.412 313 HG3 GLU 36 3HG GLU 36 -11.123 3.661 10.269 314 H GLN 37 H GLN 37 -7.961 6.089 7.194 315 HA GLN 37 HA GLN 37 -7.733 8.937 7.712 316 HB2 GLN 37 2HB GLN 37 -5.264 8.821 7.937 317 HB3 GLN 37 3HB GLN 37 -6.107 8.050 9.274 318 HG2 GLN 37 2HG GLN 37 -5.721 5.857 8.168 319 HG3 GLN 37 3HG GLN 37 -4.740 6.694 6.964 320 HE21 GLN 37 1HE2 GLN 37 -2.872 5.603 7.524 321 HE22 GLN 37 2HE2 GLN 37 -2.033 5.882 9.007 322 H ASP 38 H ASP 38 -6.337 9.998 6.056 323 HA ASP 38 HA ASP 38 -6.666 8.611 3.482 324 HB2 ASP 38 2HB ASP 38 -6.261 11.536 4.134 325 HB3 ASP 38 3HB ASP 38 -6.331 10.892 2.498 326 H ILE 39 H ILE 39 -4.389 9.033 5.734 327 HA ILE 39 HA ILE 39 -2.155 9.396 3.870 328 HB ILE 39 HB ILE 39 -2.070 9.175 6.882 329 HG12 ILE 39 2HG1 ILE 39 -3.383 11.135 6.267 330 HG13 ILE 39 3HG1 ILE 39 -1.822 11.623 6.915 331 HG21 ILE 39 1HG2 ILE 39 0.034 8.646 5.815 332 HG22 ILE 39 2HG2 ILE 39 0.151 10.205 6.633 333 HG23 ILE 39 3HG2 ILE 39 -0.034 10.140 4.880 334 HD11 ILE 39 3HD1 ILE 39 -1.009 12.034 4.660 335 HD12 ILE 39 1HD1 ILE 39 -2.461 12.975 5.004 336 HD13 ILE 39 2HD1 ILE 39 -2.565 11.526 4.004 337 H VAL 40 H VAL 40 -1.172 7.599 3.105 338 HA VAL 40 HA VAL 40 -1.521 5.115 4.618 339 HB VAL 40 HB VAL 40 -0.766 3.907 2.676 340 HG11 VAL 40 1HG1 VAL 40 -3.109 4.511 2.704 341 HG12 VAL 40 2HG1 VAL 40 -2.496 4.520 1.051 342 HG13 VAL 40 3HG1 VAL 40 -2.746 6.041 1.907 343 HG21 VAL 40 3HG2 VAL 40 -0.166 5.026 0.584 344 HG22 VAL 40 1HG2 VAL 40 0.955 5.421 1.889 345 HG23 VAL 40 2HG2 VAL 40 -0.278 6.586 1.399 346 H THR 41 H THR 41 0.071 4.205 5.717 347 HA THR 41 HA THR 41 2.702 5.458 5.659 348 HB THR 41 HB THR 41 3.107 3.990 7.679 349 HG1 THR 41 HG1 THR 41 1.191 3.062 8.615 350 HG21 THR 41 3HG2 THR 41 1.680 5.322 9.189 351 HG22 THR 41 1HG2 THR 41 0.752 5.880 7.796 352 HG23 THR 41 2HG2 THR 41 2.453 6.319 7.957 353 HA PRO 42 HA PRO 42 4.729 2.187 3.459 354 HB2 PRO 42 2HB PRO 42 6.779 1.487 5.185 355 HB3 PRO 42 3HB PRO 42 6.833 2.845 4.060 356 HG2 PRO 42 2HG PRO 42 6.184 2.829 6.980 357 HG3 PRO 42 3HG PRO 42 7.155 3.992 6.054 358 HD2 PRO 42 2HD PRO 42 4.642 4.557 6.772 359 HD3 PRO 42 3HD PRO 42 5.273 5.059 5.189 360 H GLU 43 H GLU 43 3.834 1.715 6.780 361 HA GLU 43 HA GLU 43 4.048 -1.053 7.043 362 HB2 GLU 43 2HB GLU 43 3.556 0.445 8.919 363 HB3 GLU 43 3HB GLU 43 1.995 0.833 8.215 364 HG2 GLU 43 2HG GLU 43 1.396 -1.587 8.437 365 HG3 GLU 43 3HG GLU 43 2.889 -1.799 9.352 366 H LEU 44 H LEU 44 1.206 0.888 6.107 367 HA LEU 44 HA LEU 44 -0.478 -1.296 5.585 368 HB2 LEU 44 2HB LEU 44 -0.518 1.596 4.844 369 HB3 LEU 44 3HB LEU 44 -1.657 0.507 4.082 370 HG LEU 44 HG LEU 44 -2.569 -0.103 6.274 371 HD11 LEU 44 1HD1 LEU 44 -1.921 1.115 8.281 372 HD12 LEU 44 2HD1 LEU 44 -0.659 1.954 7.379 373 HD13 LEU 44 3HD1 LEU 44 -0.555 0.212 7.625 374 HD21 LEU 44 3HD2 LEU 44 -3.623 2.050 6.791 375 HD22 LEU 44 1HD2 LEU 44 -3.573 1.737 5.056 376 HD23 LEU 44 2HD2 LEU 44 -2.429 2.867 5.781 377 H VAL 45 H VAL 45 1.691 0.531 3.502 378 HA VAL 45 HA VAL 45 0.949 -0.599 1.041 379 HB VAL 45 HB VAL 45 3.695 0.364 1.877 380 HG11 VAL 45 1HG1 VAL 45 3.708 -0.982 -0.187 381 HG12 VAL 45 2HG1 VAL 45 4.094 0.712 -0.497 382 HG13 VAL 45 3HG1 VAL 45 2.489 0.088 -0.878 383 HG21 VAL 45 3HG2 VAL 45 1.958 2.050 2.232 384 HG22 VAL 45 1HG2 VAL 45 1.436 1.862 0.555 385 HG23 VAL 45 2HG2 VAL 45 3.041 2.500 0.914 386 H GLU 46 H GLU 46 3.442 -1.556 3.381 387 HA GLU 46 HA GLU 46 4.283 -3.810 1.856 388 HB2 GLU 46 2HB GLU 46 5.756 -2.666 3.462 389 HB3 GLU 46 3HB GLU 46 4.721 -3.197 4.780 390 HG2 GLU 46 2HG GLU 46 5.327 -5.449 4.486 391 HG3 GLU 46 3HG GLU 46 6.062 -5.125 2.915 392 H GLN 47 H GLN 47 2.064 -3.346 4.575 393 HA GLN 47 HA GLN 47 1.483 -5.994 5.165 394 HB2 GLN 47 2HB GLN 47 -0.192 -3.497 5.255 395 HB3 GLN 47 3HB GLN 47 -0.854 -5.056 5.721 396 HG2 GLN 47 2HG GLN 47 1.525 -3.705 6.971 397 HG3 GLN 47 3HG GLN 47 -0.097 -3.795 7.654 398 HE21 GLN 47 1HE2 GLN 47 -0.466 -6.553 6.685 399 HE22 GLN 47 2HE2 GLN 47 0.460 -7.544 7.763 400 H ALA 48 H ALA 48 0.095 -3.889 2.678 401 HA ALA 48 HA ALA 48 -1.711 -5.836 1.684 402 HB1 ALA 48 3HB ALA 48 -1.994 -3.426 1.287 403 HB2 ALA 48 1HB ALA 48 -2.001 -4.353 -0.214 404 HB3 ALA 48 2HB ALA 48 -0.564 -3.441 0.252 405 H ARG 49 H ARG 49 1.641 -5.051 1.019 406 HA ARG 49 HA ARG 49 1.879 -6.647 -1.322 407 HB2 ARG 49 2HB ARG 49 3.536 -4.914 -0.769 408 HB3 ARG 49 3HB ARG 49 4.007 -5.815 0.667 409 HG2 ARG 49 2HG ARG 49 4.858 -7.616 -0.677 410 HG3 ARG 49 3HG ARG 49 4.256 -6.849 -2.148 411 HD2 ARG 49 2HD ARG 49 6.641 -6.489 -1.919 412 HD3 ARG 49 3HD ARG 49 5.775 -4.964 -1.773 413 HE ARG 49 HE ARG 49 6.050 -5.535 0.772 414 HH11 ARG 49 1HH1 ARG 49 8.359 -6.087 -1.790 415 HH12 ARG 49 2HH1 ARG 49 9.752 -5.772 -0.789 416 HH21 ARG 49 1HH2 ARG 49 7.888 -5.118 2.112 417 HH22 ARG 49 2HH2 ARG 49 9.478 -5.218 1.425 418 H LEU 50 H LEU 50 2.139 -7.235 2.113 419 HA LEU 50 HA LEU 50 3.018 -9.938 1.835 420 HB2 LEU 50 2HB LEU 50 2.267 -8.163 4.049 421 HB3 LEU 50 3HB LEU 50 1.886 -9.856 4.315 422 HG LEU 50 HG LEU 50 4.065 -9.375 5.235 423 HD11 LEU 50 1HD1 LEU 50 5.416 -11.007 3.960 424 HD12 LEU 50 2HD1 LEU 50 4.199 -10.967 2.681 425 HD13 LEU 50 3HD1 LEU 50 3.774 -11.568 4.283 426 HD21 LEU 50 3HD2 LEU 50 4.613 -7.429 3.848 427 HD22 LEU 50 1HD2 LEU 50 4.839 -8.490 2.456 428 HD23 LEU 50 2HD2 LEU 50 5.917 -8.617 3.848 429 H GLU 51 H GLU 51 -0.109 -8.361 1.960 430 HA GLU 51 HA GLU 51 -1.780 -10.563 2.289 431 HB2 GLU 51 2HB GLU 51 -2.084 -8.188 0.433 432 HB3 GLU 51 3HB GLU 51 -3.367 -9.337 0.776 433 HG2 GLU 51 2HG GLU 51 -2.012 -7.772 2.942 434 HG3 GLU 51 3HG GLU 51 -3.394 -7.147 2.044 435 H PHE 52 H PHE 52 -0.329 -9.268 -0.670 436 HA PHE 52 HA PHE 52 -1.271 -11.502 -2.237 437 HB2 PHE 52 2HB PHE 52 0.499 -9.159 -2.949 438 HB3 PHE 52 3HB PHE 52 -0.044 -10.380 -4.099 439 HD1 PHE 52 HD1 PHE 52 -2.491 -10.634 -4.539 440 HD2 PHE 52 HD2 PHE 52 -0.892 -7.363 -2.339 441 HE1 PHE 52 HE1 PHE 52 -4.576 -9.377 -4.904 442 HE2 PHE 52 HE2 PHE 52 -2.975 -6.102 -2.695 443 HZ PHE 52 HZ PHE 52 -4.817 -7.107 -3.979 444 H GLY 53 H GLY 53 1.508 -10.691 -0.412 445 HA2 GLY 53 2HA GLY 53 3.323 -12.516 -1.656 446 HA3 GLY 53 3HA GLY 53 3.497 -11.796 -0.059 447 H GLN 54 H GLN 54 1.003 -12.722 0.996 448 HA GLN 54 HA GLN 54 1.629 -15.434 1.657 449 HB2 GLN 54 2HB GLN 54 -0.864 -13.797 2.176 450 HB3 GLN 54 3HB GLN 54 -0.568 -15.395 2.842 451 HG2 GLN 54 2HG GLN 54 1.194 -13.013 3.343 452 HG3 GLN 54 3HG GLN 54 -0.132 -13.499 4.394 453 HE21 GLN 54 1HE2 GLN 54 1.119 -13.912 6.144 454 HE22 GLN 54 2HE2 GLN 54 2.251 -15.227 6.231 455 H LEU 55 H LEU 55 -0.380 -13.815 -0.657 456 HA LEU 55 HA LEU 55 -1.701 -16.263 -1.441 457 HB2 LEU 55 2HB LEU 55 -1.783 -13.491 -2.620 458 HB3 LEU 55 3HB LEU 55 -2.714 -14.846 -3.226 459 HG LEU 55 HG LEU 55 -2.969 -13.636 -0.471 460 HD11 LEU 55 1HD1 LEU 55 -3.823 -12.178 -2.243 461 HD12 LEU 55 2HD1 LEU 55 -5.125 -12.826 -1.245 462 HD13 LEU 55 3HD1 LEU 55 -4.823 -13.501 -2.845 463 HD21 LEU 55 3HD2 LEU 55 -3.446 -16.019 -0.459 464 HD22 LEU 55 1HD2 LEU 55 -4.551 -15.819 -1.818 465 HD23 LEU 55 2HD2 LEU 55 -4.930 -15.087 -0.260 466 H GLU 56 H GLU 56 -0.423 -14.001 -3.815 467 HA GLU 56 HA GLU 56 0.528 -14.390 -5.834 468 HB2 GLU 56 2HB GLU 56 2.191 -16.233 -4.124 469 HB3 GLU 56 3HB GLU 56 2.513 -15.990 -5.835 470 HG2 GLU 56 2HG GLU 56 2.693 -13.536 -5.348 471 HG3 GLU 56 3HG GLU 56 2.622 -13.950 -3.635 472 H HIS 57 H HIS 57 -1.615 -16.246 -4.665 473 HA HIS 57 HA HIS 57 -1.765 -18.040 -6.957 474 HB2 HIS 57 2HB HIS 57 -2.221 -18.996 -4.108 475 HB3 HIS 57 3HB HIS 57 -2.373 -19.960 -5.571 476 HD1 HIS 57 HD1 HIS 57 -0.125 -19.357 -2.871 477 HD2 HIS 57 HD2 HIS 57 0.331 -20.110 -6.940 478 HE1 HIS 57 HE1 HIS 57 2.233 -20.180 -3.151 479 HE2 HIS 57 HE2 HIS 57 2.554 -20.385 -5.640 480 H HIS 58 H HIS 58 -4.035 -18.735 -7.283 481 HA HIS 58 HA HIS 58 -5.885 -16.696 -6.551 482 HB2 HIS 58 2HB HIS 58 -7.571 -17.967 -7.720 483 HB3 HIS 58 3HB HIS 58 -6.092 -17.996 -8.663 484 HD1 HIS 58 HD1 HIS 58 -8.576 -20.155 -7.052 485 HD2 HIS 58 HD2 HIS 58 -4.766 -20.562 -8.658 486 HE1 HIS 58 HE1 HIS 58 -8.252 -22.624 -7.401 487 HE2 HIS 58 HE2 HIS 58 -6.069 -22.800 -8.639 488 H HIS 59 H HIS 59 -7.470 -16.654 -5.019 489 HA HIS 59 HA HIS 59 -6.924 -17.951 -2.597 490 HB2 HIS 59 2HB HIS 59 -8.096 -15.775 -2.800 491 HB3 HIS 59 3HB HIS 59 -9.501 -16.606 -3.454 492 HD1 HIS 59 HD1 HIS 59 -7.903 -15.618 -0.285 493 HD2 HIS 59 HD2 HIS 59 -10.857 -18.277 -1.527 494 HE1 HIS 59 HE1 HIS 59 -9.148 -16.277 1.796 495 HE2 HIS 59 HE2 HIS 59 -11.030 -17.752 0.997 496 H HIS 60 H HIS 60 -9.607 -18.480 -4.878 497 HA HIS 60 HA HIS 60 -9.572 -21.329 -4.342 498 HB2 HIS 60 2HB HIS 60 -11.825 -19.559 -3.452 499 HB3 HIS 60 3HB HIS 60 -12.188 -21.170 -4.055 500 HD1 HIS 60 HD1 HIS 60 -12.305 -19.834 -1.030 501 HD2 HIS 60 HD2 HIS 60 -9.811 -22.815 -2.509 502 HE1 HIS 60 HE1 HIS 60 -11.553 -21.148 0.976 503 HE2 HIS 60 HE2 HIS 60 -9.923 -22.843 0.078 504 H HIS 61 H HIS 61 -11.754 -22.178 -5.645 505 HA HIS 61 HA HIS 61 -11.793 -20.646 -8.156 506 HB2 HIS 61 2HB HIS 61 -12.590 -22.641 -9.296 507 HB3 HIS 61 3HB HIS 61 -11.097 -22.999 -8.446 508 HD1 HIS 61 HD1 HIS 61 -14.848 -23.529 -8.029 509 HD2 HIS 61 HD2 HIS 61 -11.221 -25.209 -6.879 510 HE1 HIS 61 HE1 HIS 61 -15.435 -25.688 -6.892 511 HE2 HIS 61 HE2 HIS 61 -13.224 -26.785 -6.404 512 H HIS 62 H HIS 62 -13.639 -19.686 -8.792 513 HA HIS 62 HA HIS 62 -16.000 -20.173 -7.105 514 HB2 HIS 62 2HB HIS 62 -14.726 -17.983 -6.717 515 HB3 HIS 62 3HB HIS 62 -15.308 -17.493 -8.304 516 HD1 HIS 62 HD1 HIS 62 -17.181 -15.897 -7.960 517 HD2 HIS 62 HD2 HIS 62 -17.298 -19.051 -5.246 518 HE1 HIS 62 HE1 HIS 62 -19.243 -15.525 -6.566 519 HE2 HIS 62 HE2 HIS 62 -19.392 -17.546 -5.069 Start of MODEL 20 1 H1 MET 1 1H MET 1 -10.345 9.227 -3.204 2 H2 MET 1 2H MET 1 -11.209 9.934 -4.473 3 H3 MET 1 3H MET 1 -9.614 10.430 -4.149 4 HA MET 1 HA MET 1 -10.432 7.734 -5.075 5 HB2 MET 1 2HB MET 1 -8.937 9.935 -6.525 6 HB3 MET 1 3HB MET 1 -9.256 8.326 -7.156 7 HG2 MET 1 2HG MET 1 -11.641 8.771 -7.151 8 HG3 MET 1 3HG MET 1 -11.354 10.367 -6.456 9 HE1 MET 1 3HE MET 1 -13.070 9.848 -9.124 10 HE2 MET 1 1HE MET 1 -12.498 11.188 -10.117 11 HE3 MET 1 2HE MET 1 -12.817 11.433 -8.399 12 H ASN 2 H ASN 2 -7.497 9.687 -5.445 13 HA ASN 2 HA ASN 2 -5.919 7.514 -4.341 14 HB2 ASN 2 2HB ASN 2 -5.091 10.189 -5.485 15 HB3 ASN 2 3HB ASN 2 -3.970 8.965 -4.906 16 HD21 ASN 2 1HD2 ASN 2 -6.113 9.919 -7.424 17 HD22 ASN 2 2HD2 ASN 2 -5.658 8.688 -8.560 18 H LEU 3 H LEU 3 -5.082 7.467 -2.361 19 HA LEU 3 HA LEU 3 -5.826 9.595 -0.526 20 HB2 LEU 3 2HB LEU 3 -4.536 6.902 -0.100 21 HB3 LEU 3 3HB LEU 3 -4.843 8.047 1.195 22 HG LEU 3 HG LEU 3 -6.927 6.713 -0.539 23 HD11 LEU 3 1HD1 LEU 3 -7.603 5.647 1.547 24 HD12 LEU 3 2HD1 LEU 3 -6.277 6.446 2.390 25 HD13 LEU 3 3HD1 LEU 3 -5.932 5.251 1.140 26 HD21 LEU 3 3HD2 LEU 3 -7.223 8.728 1.684 27 HD22 LEU 3 1HD2 LEU 3 -8.549 7.819 0.960 28 HD23 LEU 3 2HD2 LEU 3 -7.631 8.969 -0.014 29 H ARG 4 H ARG 4 -3.964 9.843 1.293 30 HA ARG 4 HA ARG 4 -1.856 11.190 -0.183 31 HB2 ARG 4 2HB ARG 4 -2.571 11.194 2.754 32 HB3 ARG 4 3HB ARG 4 -1.268 12.143 2.045 33 HG2 ARG 4 2HG ARG 4 -2.910 13.276 0.606 34 HG3 ARG 4 3HG ARG 4 -4.195 12.360 1.390 35 HD2 ARG 4 2HD ARG 4 -3.725 13.391 3.503 36 HD3 ARG 4 3HD ARG 4 -2.291 14.182 2.846 37 HE ARG 4 HE ARG 4 -4.666 14.868 1.416 38 HH11 ARG 4 1HH1 ARG 4 -2.912 15.568 4.364 39 HH12 ARG 4 2HH1 ARG 4 -3.418 17.230 4.415 40 HH21 ARG 4 1HH2 ARG 4 -5.332 17.048 1.478 41 HH22 ARG 4 2HH2 ARG 4 -4.802 18.064 2.790 42 H TRP 5 H TRP 5 -0.174 10.067 -0.727 43 HA TRP 5 HA TRP 5 0.679 7.785 0.858 44 HB2 TRP 5 2HB TRP 5 1.459 8.762 -1.890 45 HB3 TRP 5 3HB TRP 5 2.243 7.406 -1.095 46 HD1 TRP 5 HD1 TRP 5 -1.372 8.381 -2.176 47 HE1 TRP 5 HE1 TRP 5 -2.576 6.225 -2.916 48 HE3 TRP 5 HE3 TRP 5 2.341 5.019 -1.176 49 HZ2 TRP 5 HZ2 TRP 5 -1.995 3.461 -3.066 50 HZ3 TRP 5 HZ3 TRP 5 1.938 2.642 -1.653 51 HH2 TRP 5 HH2 TRP 5 -0.186 1.882 -2.576 52 H THR 6 H THR 6 2.326 7.859 2.207 53 HA THR 6 HA THR 6 3.975 10.180 2.463 54 HB THR 6 HB THR 6 5.282 8.715 4.073 55 HG1 THR 6 HG1 THR 6 3.195 6.861 4.052 56 HG21 THR 6 3HG2 THR 6 3.448 8.579 5.746 57 HG22 THR 6 1HG2 THR 6 2.301 8.971 4.467 58 HG23 THR 6 2HG2 THR 6 3.534 10.144 4.932 59 H SER 7 H SER 7 6.288 10.245 2.088 60 HA SER 7 HA SER 7 7.052 9.280 -0.421 61 HB2 SER 7 2HB SER 7 8.890 10.154 1.822 62 HB3 SER 7 3HB SER 7 9.245 10.172 0.092 63 HG SER 7 HG SER 7 8.586 12.189 0.380 64 H GLU 8 H GLU 8 7.491 8.015 2.804 65 HA GLU 8 HA GLU 8 9.235 5.885 2.178 66 HB2 GLU 8 2HB GLU 8 7.173 6.143 4.372 67 HB3 GLU 8 3HB GLU 8 8.443 4.927 4.316 68 HG2 GLU 8 2HG GLU 8 10.128 6.501 4.672 69 HG3 GLU 8 3HG GLU 8 9.075 7.851 4.249 70 H ALA 9 H ALA 9 5.702 6.121 2.368 71 HA ALA 9 HA ALA 9 5.112 3.437 1.776 72 HB1 ALA 9 3HB ALA 9 2.869 4.236 1.235 73 HB2 ALA 9 1HB ALA 9 3.460 5.897 1.216 74 HB3 ALA 9 2HB ALA 9 3.466 4.975 2.720 75 H LYS 10 H LYS 10 5.378 6.291 -0.314 76 HA LYS 10 HA LYS 10 4.747 5.096 -2.745 77 HB2 LYS 10 2HB LYS 10 6.659 7.360 -2.142 78 HB3 LYS 10 3HB LYS 10 6.106 6.940 -3.759 79 HG2 LYS 10 2HG LYS 10 3.831 7.451 -3.163 80 HG3 LYS 10 3HG LYS 10 4.297 7.729 -1.487 81 HD2 LYS 10 2HD LYS 10 4.020 9.849 -2.596 82 HD3 LYS 10 3HD LYS 10 5.727 9.601 -2.235 83 HE2 LYS 10 2HE LYS 10 6.141 8.936 -4.534 84 HE3 LYS 10 3HE LYS 10 4.425 9.083 -4.908 85 HZ1 LYS 10 3HZ LYS 10 6.265 11.282 -4.137 86 HZ2 LYS 10 1HZ LYS 10 4.588 11.459 -4.333 87 HZ3 LYS 10 2HZ LYS 10 5.555 11.036 -5.656 88 H THR 11 H THR 11 7.856 5.242 -1.050 89 HA THR 11 HA THR 11 9.357 4.011 -3.112 90 HB THR 11 HB THR 11 9.956 3.979 -0.146 91 HG1 THR 11 HG1 THR 11 10.043 6.086 -0.486 92 HG21 THR 11 3HG2 THR 11 12.290 3.773 -0.877 93 HG22 THR 11 1HG2 THR 11 11.761 3.725 -2.558 94 HG23 THR 11 2HG2 THR 11 11.317 2.422 -1.457 95 H LYS 12 H LYS 12 7.754 2.729 -0.204 96 HA LYS 12 HA LYS 12 8.428 0.037 -0.505 97 HB2 LYS 12 2HB LYS 12 5.923 1.300 0.609 98 HB3 LYS 12 3HB LYS 12 6.283 -0.414 0.734 99 HG2 LYS 12 2HG LYS 12 8.093 1.727 1.813 100 HG3 LYS 12 3HG LYS 12 6.804 0.978 2.756 101 HD2 LYS 12 2HD LYS 12 7.851 -1.234 2.338 102 HD3 LYS 12 3HD LYS 12 9.182 -0.413 1.515 103 HE2 LYS 12 2HE LYS 12 9.720 0.796 3.550 104 HE3 LYS 12 3HE LYS 12 8.346 0.067 4.375 105 HZ1 LYS 12 3HZ LYS 12 10.341 -1.064 4.996 106 HZ2 LYS 12 1HZ LYS 12 10.767 -1.339 3.380 107 HZ3 LYS 12 2HZ LYS 12 9.412 -2.120 4.046 108 H LEU 13 H LEU 13 5.851 1.937 -1.974 109 HA LEU 13 HA LEU 13 4.480 -0.187 -3.220 110 HB2 LEU 13 2HB LEU 13 3.555 2.075 -2.889 111 HB3 LEU 13 3HB LEU 13 4.689 2.702 -4.070 112 HG LEU 13 HG LEU 13 3.612 1.307 -5.810 113 HD11 LEU 13 1HD1 LEU 13 2.748 -0.480 -4.420 114 HD12 LEU 13 2HD1 LEU 13 1.431 0.280 -5.315 115 HD13 LEU 13 3HD1 LEU 13 1.662 0.649 -3.605 116 HD21 LEU 13 3HD2 LEU 13 1.699 3.100 -4.317 117 HD22 LEU 13 1HD2 LEU 13 1.600 2.646 -6.021 118 HD23 LEU 13 2HD2 LEU 13 2.940 3.642 -5.448 119 H LYS 14 H LYS 14 7.264 1.719 -4.177 120 HA LYS 14 HA LYS 14 7.359 0.813 -6.880 121 HB2 LYS 14 2HB LYS 14 9.543 1.952 -5.125 122 HB3 LYS 14 3HB LYS 14 9.648 1.735 -6.868 123 HG2 LYS 14 2HG LYS 14 7.884 3.337 -7.218 124 HG3 LYS 14 3HG LYS 14 7.636 3.495 -5.480 125 HD2 LYS 14 2HD LYS 14 9.909 4.377 -5.245 126 HD3 LYS 14 3HD LYS 14 10.140 4.235 -6.989 127 HE2 LYS 14 2HE LYS 14 8.296 5.796 -7.357 128 HE3 LYS 14 3HE LYS 14 8.067 5.934 -5.614 129 HZ1 LYS 14 3HZ LYS 14 10.558 6.680 -7.048 130 HZ2 LYS 14 1HZ LYS 14 10.233 6.914 -5.403 131 HZ3 LYS 14 2HZ LYS 14 9.357 7.774 -6.569 132 H ASN 15 H ASN 15 8.184 -0.603 -3.892 133 HA ASN 15 HA ASN 15 10.110 -2.469 -4.976 134 HB2 ASN 15 2HB ASN 15 8.815 -2.107 -2.288 135 HB3 ASN 15 3HB ASN 15 9.711 -3.575 -2.657 136 HD21 ASN 15 1HD2 ASN 15 9.918 -0.166 -2.039 137 HD22 ASN 15 2HD2 ASN 15 11.639 -0.105 -1.856 138 H ILE 16 H ILE 16 6.754 -2.192 -4.897 139 HA ILE 16 HA ILE 16 6.189 -5.034 -4.927 140 HB ILE 16 HB ILE 16 4.357 -2.696 -5.523 141 HG12 ILE 16 2HG1 ILE 16 4.763 -4.249 -2.952 142 HG13 ILE 16 3HG1 ILE 16 5.304 -2.598 -3.244 143 HG21 ILE 16 1HG2 ILE 16 3.708 -5.560 -4.836 144 HG22 ILE 16 2HG2 ILE 16 3.555 -4.824 -6.431 145 HG23 ILE 16 3HG2 ILE 16 2.537 -4.266 -5.103 146 HD11 ILE 16 3HD1 ILE 16 3.260 -2.689 -1.913 147 HD12 ILE 16 1HD1 ILE 16 2.440 -3.516 -3.235 148 HD13 ILE 16 2HD1 ILE 16 3.009 -1.860 -3.447 149 HA PRO 17 HA PRO 17 7.016 -5.776 -9.248 150 HB2 PRO 17 2HB PRO 17 4.581 -7.484 -8.958 151 HB3 PRO 17 3HB PRO 17 6.155 -7.879 -9.661 152 HG2 PRO 17 2HG PRO 17 5.504 -8.740 -7.227 153 HG3 PRO 17 3HG PRO 17 7.153 -8.196 -7.588 154 HD2 PRO 17 2HD PRO 17 5.004 -6.841 -6.041 155 HD3 PRO 17 3HD PRO 17 6.764 -6.768 -5.834 156 H PHE 18 H PHE 18 6.358 -4.915 -11.122 157 HA PHE 18 HA PHE 18 4.606 -2.833 -11.241 158 HB2 PHE 18 2HB PHE 18 4.739 -2.987 -13.684 159 HB3 PHE 18 3HB PHE 18 6.307 -3.227 -12.928 160 HD1 PHE 18 HD2 PHE 18 7.168 -5.613 -12.694 161 HD2 PHE 18 HD1 PHE 18 3.858 -4.572 -15.159 162 HE1 PHE 18 HE2 PHE 18 7.439 -7.714 -13.941 163 HE2 PHE 18 HE1 PHE 18 4.125 -6.674 -16.410 164 HZ PHE 18 HZ PHE 18 5.918 -8.249 -15.801 165 H PHE 19 H PHE 19 3.828 -6.208 -11.958 166 HA PHE 19 HA PHE 19 1.256 -5.629 -13.039 167 HB2 PHE 19 2HB PHE 19 2.376 -7.640 -13.716 168 HB3 PHE 19 3HB PHE 19 2.523 -8.189 -12.052 169 HD1 PHE 19 HD1 PHE 19 0.123 -7.541 -14.781 170 HD2 PHE 19 HD2 PHE 19 0.811 -9.412 -11.021 171 HE1 PHE 19 HE1 PHE 19 -2.003 -8.760 -15.007 172 HE2 PHE 19 HE2 PHE 19 -1.316 -10.637 -11.239 173 HZ PHE 19 HZ PHE 19 -2.723 -10.312 -13.234 174 H ALA 20 H ALA 20 2.401 -6.746 -9.868 175 HA ALA 20 HA ALA 20 -0.303 -6.914 -8.845 176 HB1 ALA 20 3HB ALA 20 1.416 -8.547 -8.164 177 HB2 ALA 20 1HB ALA 20 0.709 -7.695 -6.791 178 HB3 ALA 20 2HB ALA 20 2.312 -7.249 -7.376 179 H ARG 21 H ARG 21 1.972 -4.485 -9.228 180 HA ARG 21 HA ARG 21 1.776 -3.042 -6.841 181 HB2 ARG 21 2HB ARG 21 3.520 -2.655 -8.492 182 HB3 ARG 21 3HB ARG 21 2.332 -2.079 -9.646 183 HG2 ARG 21 2HG ARG 21 2.021 -0.078 -8.527 184 HG3 ARG 21 3HG ARG 21 2.643 -0.720 -7.006 185 HD2 ARG 21 2HD ARG 21 4.195 0.857 -8.131 186 HD3 ARG 21 3HD ARG 21 4.883 -0.740 -7.855 187 HE ARG 21 HE ARG 21 3.757 -0.029 -10.487 188 HH11 ARG 21 1HH1 ARG 21 6.421 -1.129 -8.492 189 HH12 ARG 21 2HH1 ARG 21 7.493 -1.400 -9.831 190 HH21 ARG 21 1HH2 ARG 21 5.167 -0.392 -12.264 191 HH22 ARG 21 2HH2 ARG 21 6.778 -0.993 -11.971 192 H SER 22 H SER 22 -0.242 -2.996 -9.733 193 HA SER 22 HA SER 22 -1.793 -0.746 -8.925 194 HB2 SER 22 2HB SER 22 -1.586 -1.571 -11.292 195 HB3 SER 22 3HB SER 22 -2.596 -2.945 -10.850 196 HG SER 22 HG SER 22 -3.281 -0.197 -10.880 197 H GLN 23 H GLN 23 -2.108 -4.230 -8.579 198 HA GLN 23 HA GLN 23 -4.699 -4.202 -7.411 199 HB2 GLN 23 2HB GLN 23 -3.855 -6.197 -8.499 200 HB3 GLN 23 3HB GLN 23 -2.493 -6.274 -7.391 201 HG2 GLN 23 2HG GLN 23 -3.904 -6.865 -5.574 202 HG3 GLN 23 3HG GLN 23 -5.357 -6.533 -6.517 203 HE21 GLN 23 1HE2 GLN 23 -6.047 -8.003 -8.029 204 HE22 GLN 23 2HE2 GLN 23 -5.435 -9.622 -8.121 205 H ALA 24 H ALA 24 -1.412 -4.277 -6.121 206 HA ALA 24 HA ALA 24 -2.075 -4.478 -3.401 207 HB1 ALA 24 3HB ALA 24 0.184 -4.871 -4.220 208 HB2 ALA 24 1HB ALA 24 0.179 -3.628 -2.972 209 HB3 ALA 24 2HB ALA 24 0.329 -3.173 -4.668 210 H LYS 25 H LYS 25 -1.424 -1.628 -5.434 211 HA LYS 25 HA LYS 25 -1.710 0.368 -3.554 212 HB2 LYS 25 2HB LYS 25 -0.999 0.818 -5.842 213 HB3 LYS 25 3HB LYS 25 -2.590 0.378 -6.449 214 HG2 LYS 25 2HG LYS 25 -3.573 2.284 -5.305 215 HG3 LYS 25 3HG LYS 25 -1.995 2.710 -4.638 216 HD2 LYS 25 2HD LYS 25 -1.144 3.006 -6.937 217 HD3 LYS 25 3HD LYS 25 -2.759 2.662 -7.558 218 HE2 LYS 25 2HE LYS 25 -2.085 4.922 -5.678 219 HE3 LYS 25 3HE LYS 25 -2.224 5.085 -7.425 220 HZ1 LYS 25 3HZ LYS 25 -4.551 4.287 -7.210 221 HZ2 LYS 25 1HZ LYS 25 -4.260 5.766 -6.436 222 HZ3 LYS 25 2HZ LYS 25 -4.387 4.343 -5.519 223 H ALA 26 H ALA 26 -4.223 -1.283 -5.418 224 HA ALA 26 HA ALA 26 -6.433 0.183 -4.585 225 HB1 ALA 26 3HB ALA 26 -7.754 -1.801 -5.159 226 HB2 ALA 26 1HB ALA 26 -6.276 -2.759 -5.233 227 HB3 ALA 26 2HB ALA 26 -6.535 -1.448 -6.386 228 H ARG 27 H ARG 27 -4.973 -2.722 -3.093 229 HA ARG 27 HA ARG 27 -6.875 -2.731 -0.958 230 HB2 ARG 27 2HB ARG 27 -5.666 -4.783 -1.688 231 HB3 ARG 27 3HB ARG 27 -4.187 -4.109 -1.013 232 HG2 ARG 27 2HG ARG 27 -5.123 -4.125 1.200 233 HG3 ARG 27 3HG ARG 27 -6.692 -4.631 0.578 234 HD2 ARG 27 2HD ARG 27 -5.677 -6.737 -0.195 235 HD3 ARG 27 3HD ARG 27 -4.133 -6.224 0.486 236 HE ARG 27 HE ARG 27 -5.740 -6.064 2.616 237 HH11 ARG 27 1HH1 ARG 27 -5.440 -8.590 0.212 238 HH12 ARG 27 2HH1 ARG 27 -5.721 -9.875 1.352 239 HH21 ARG 27 1HH2 ARG 27 -6.166 -7.742 4.103 240 HH22 ARG 27 2HH2 ARG 27 -6.137 -9.392 3.550 241 H ILE 28 H ILE 28 -3.651 -1.371 -1.373 242 HA ILE 28 HA ILE 28 -3.078 -0.814 1.315 243 HB ILE 28 HB ILE 28 -2.248 0.750 -1.137 244 HG12 ILE 28 2HG1 ILE 28 -0.693 -1.302 0.453 245 HG13 ILE 28 3HG1 ILE 28 -1.604 -1.691 -1.002 246 HG21 ILE 28 1HG2 ILE 28 -2.010 2.113 0.863 247 HG22 ILE 28 2HG2 ILE 28 -0.423 1.609 0.280 248 HG23 ILE 28 3HG2 ILE 28 -1.145 0.808 1.674 249 HD11 ILE 28 3HD1 ILE 28 0.772 -1.394 -1.459 250 HD12 ILE 28 1HD1 ILE 28 0.682 0.257 -0.847 251 HD13 ILE 28 2HD1 ILE 28 -0.211 -0.193 -2.299 252 H GLU 29 H GLU 29 -4.613 1.267 -1.137 253 HA GLU 29 HA GLU 29 -5.124 3.367 0.713 254 HB2 GLU 29 2HB GLU 29 -6.374 2.799 -1.980 255 HB3 GLU 29 3HB GLU 29 -6.541 4.302 -1.080 256 HG2 GLU 29 2HG GLU 29 -4.109 4.626 -1.199 257 HG3 GLU 29 3HG GLU 29 -3.971 3.145 -2.142 258 H GLN 30 H GLN 30 -6.831 0.478 -0.212 259 HA GLN 30 HA GLN 30 -9.330 1.136 0.978 260 HB2 GLN 30 2HB GLN 30 -8.174 -1.104 -0.346 261 HB3 GLN 30 3HB GLN 30 -8.811 -1.667 1.191 262 HG2 GLN 30 2HG GLN 30 -10.556 -1.956 -0.333 263 HG3 GLN 30 3HG GLN 30 -10.969 -0.506 0.573 264 HE21 GLN 30 1HE2 GLN 30 -9.048 1.153 -0.905 265 HE22 GLN 30 2HE2 GLN 30 -9.741 1.408 -2.465 266 H LEU 31 H LEU 31 -6.392 -0.437 2.158 267 HA LEU 31 HA LEU 31 -7.263 -1.126 4.730 268 HB2 LEU 31 2HB LEU 31 -4.520 -0.381 3.708 269 HB3 LEU 31 3HB LEU 31 -4.819 -1.016 5.314 270 HG LEU 31 HG LEU 31 -5.582 -2.529 2.821 271 HD11 LEU 31 1HD1 LEU 31 -3.030 -2.757 4.414 272 HD12 LEU 31 2HD1 LEU 31 -3.165 -2.074 2.792 273 HD13 LEU 31 3HD1 LEU 31 -3.517 -3.783 3.063 274 HD21 LEU 31 3HD2 LEU 31 -5.106 -3.383 5.676 275 HD22 LEU 31 1HD2 LEU 31 -5.545 -4.444 4.338 276 HD23 LEU 31 2HD2 LEU 31 -6.678 -3.214 4.898 277 H ALA 32 H ALA 32 -5.818 1.849 3.480 278 HA ALA 32 HA ALA 32 -5.585 3.160 5.968 279 HB1 ALA 32 3HB ALA 32 -5.352 5.216 4.652 280 HB2 ALA 32 1HB ALA 32 -5.842 4.332 3.207 281 HB3 ALA 32 2HB ALA 32 -4.345 3.906 4.037 282 H ARG 33 H ARG 33 -8.228 2.968 3.624 283 HA ARG 33 HA ARG 33 -9.877 4.831 5.047 284 HB2 ARG 33 2HB ARG 33 -10.565 2.763 2.955 285 HB3 ARG 33 3HB ARG 33 -11.721 3.913 3.619 286 HG2 ARG 33 2HG ARG 33 -10.249 5.751 2.806 287 HG3 ARG 33 3HG ARG 33 -9.259 4.528 2.009 288 HD2 ARG 33 2HD ARG 33 -10.796 5.458 0.412 289 HD3 ARG 33 3HD ARG 33 -11.249 3.789 0.750 290 HE ARG 33 HE ARG 33 -12.967 4.798 2.307 291 HH11 ARG 33 1HH1 ARG 33 -11.752 6.523 -0.484 292 HH12 ARG 33 2HH1 ARG 33 -13.187 7.473 -0.705 293 HH21 ARG 33 1HH2 ARG 33 -14.890 6.039 2.021 294 HH22 ARG 33 2HH2 ARG 33 -14.984 7.173 0.711 295 H GLN 34 H GLN 34 -9.256 1.418 5.208 296 HA GLN 34 HA GLN 34 -11.416 0.739 6.930 297 HB2 GLN 34 2HB GLN 34 -10.101 -0.934 5.652 298 HB3 GLN 34 3HB GLN 34 -8.696 -0.572 6.641 299 HG2 GLN 34 2HG GLN 34 -11.220 -1.494 7.939 300 HG3 GLN 34 3HG GLN 34 -10.167 -2.658 7.140 301 HE21 GLN 34 1HE2 GLN 34 -7.727 -1.197 7.822 302 HE22 GLN 34 2HE2 GLN 34 -7.467 -1.474 9.512 303 H ALA 35 H ALA 35 -8.220 2.083 7.393 304 HA ALA 35 HA ALA 35 -8.474 2.134 10.282 305 HB1 ALA 35 3HB ALA 35 -6.266 1.861 9.221 306 HB2 ALA 35 1HB ALA 35 -6.335 3.283 10.265 307 HB3 ALA 35 2HB ALA 35 -6.423 3.468 8.513 308 H GLU 36 H GLU 36 -9.562 3.928 7.683 309 HA GLU 36 HA GLU 36 -10.764 5.816 7.453 310 HB2 GLU 36 2HB GLU 36 -10.874 5.671 10.465 311 HB3 GLU 36 3HB GLU 36 -11.790 6.822 9.501 312 HG2 GLU 36 2HG GLU 36 -12.854 4.925 8.327 313 HG3 GLU 36 3HG GLU 36 -12.009 3.824 9.415 314 H GLN 37 H GLN 37 -8.072 6.070 7.225 315 HA GLN 37 HA GLN 37 -7.743 8.857 8.082 316 HB2 GLN 37 2HB GLN 37 -5.317 8.470 8.366 317 HB3 GLN 37 3HB GLN 37 -6.280 7.550 9.511 318 HG2 GLN 37 2HG GLN 37 -6.014 5.562 8.056 319 HG3 GLN 37 3HG GLN 37 -4.944 6.510 7.025 320 HE21 GLN 37 1HE2 GLN 37 -3.178 5.224 7.386 321 HE22 GLN 37 2HE2 GLN 37 -2.345 5.169 8.900 322 H ASP 38 H ASP 38 -6.250 10.078 6.650 323 HA ASP 38 HA ASP 38 -6.788 9.299 3.889 324 HB2 ASP 38 2HB ASP 38 -5.858 11.850 5.182 325 HB3 ASP 38 3HB ASP 38 -5.789 11.631 3.439 326 H ILE 39 H ILE 39 -4.260 9.087 6.076 327 HA ILE 39 HA ILE 39 -2.182 9.316 4.023 328 HB ILE 39 HB ILE 39 -1.885 9.126 7.027 329 HG12 ILE 39 2HG1 ILE 39 -1.660 11.575 5.263 330 HG13 ILE 39 3HG1 ILE 39 -3.078 11.186 6.232 331 HG21 ILE 39 1HG2 ILE 39 0.081 8.361 5.813 332 HG22 ILE 39 2HG2 ILE 39 0.401 9.898 6.620 333 HG23 ILE 39 3HG2 ILE 39 0.104 9.859 4.882 334 HD11 ILE 39 3HD1 ILE 39 -1.729 11.334 8.258 335 HD12 ILE 39 1HD1 ILE 39 -1.689 12.833 7.332 336 HD13 ILE 39 2HD1 ILE 39 -0.311 11.734 7.284 337 H VAL 40 H VAL 40 -1.156 7.535 3.284 338 HA VAL 40 HA VAL 40 -1.576 5.023 4.742 339 HB VAL 40 HB VAL 40 -0.889 3.821 2.779 340 HG11 VAL 40 1HG1 VAL 40 -2.785 6.043 2.042 341 HG12 VAL 40 2HG1 VAL 40 -3.200 4.504 2.794 342 HG13 VAL 40 3HG1 VAL 40 -2.583 4.540 1.145 343 HG21 VAL 40 3HG2 VAL 40 -0.232 4.916 0.697 344 HG22 VAL 40 1HG2 VAL 40 0.895 5.283 2.006 345 HG23 VAL 40 2HG2 VAL 40 -0.298 6.483 1.502 346 H THR 41 H THR 41 0.027 4.102 5.832 347 HA THR 41 HA THR 41 2.634 5.402 5.772 348 HB THR 41 HB THR 41 3.085 3.943 7.780 349 HG1 THR 41 HG1 THR 41 1.313 2.864 8.702 350 HG21 THR 41 3HG2 THR 41 1.660 5.224 9.306 351 HG22 THR 41 1HG2 THR 41 0.654 5.726 7.947 352 HG23 THR 41 2HG2 THR 41 2.333 6.257 8.043 353 HA PRO 42 HA PRO 42 4.747 2.215 3.539 354 HB2 PRO 42 2HB PRO 42 6.858 1.673 5.277 355 HB3 PRO 42 3HB PRO 42 6.833 2.954 4.061 356 HG2 PRO 42 2HG PRO 42 6.298 3.110 6.992 357 HG3 PRO 42 3HG PRO 42 7.123 4.271 5.936 358 HD2 PRO 42 2HD PRO 42 4.605 4.667 6.780 359 HD3 PRO 42 3HD PRO 42 5.133 5.165 5.159 360 H GLU 43 H GLU 43 3.906 1.740 6.877 361 HA GLU 43 HA GLU 43 4.287 -0.997 7.220 362 HB2 GLU 43 2HB GLU 43 1.888 0.532 8.227 363 HB3 GLU 43 3HB GLU 43 2.658 -0.862 8.967 364 HG2 GLU 43 2HG GLU 43 4.562 0.446 9.595 365 HG3 GLU 43 3HG GLU 43 3.959 1.836 8.688 366 H LEU 44 H LEU 44 1.392 0.747 6.132 367 HA LEU 44 HA LEU 44 -0.161 -1.551 5.642 368 HB2 LEU 44 2HB LEU 44 -0.394 1.339 4.950 369 HB3 LEU 44 3HB LEU 44 -1.432 0.198 4.117 370 HG LEU 44 HG LEU 44 -2.400 -0.519 6.230 371 HD11 LEU 44 1HD1 LEU 44 -0.450 -0.252 7.667 372 HD12 LEU 44 2HD1 LEU 44 -1.848 0.600 8.329 373 HD13 LEU 44 3HD1 LEU 44 -0.570 1.502 7.513 374 HD21 LEU 44 3HD2 LEU 44 -3.569 1.537 6.814 375 HD22 LEU 44 1HD2 LEU 44 -3.385 1.391 5.065 376 HD23 LEU 44 2HD2 LEU 44 -2.341 2.484 5.975 377 H VAL 45 H VAL 45 1.855 0.438 3.527 378 HA VAL 45 HA VAL 45 1.148 -0.764 1.091 379 HB VAL 45 HB VAL 45 3.849 0.363 1.849 380 HG11 VAL 45 1HG1 VAL 45 3.953 -0.976 -0.173 381 HG12 VAL 45 2HG1 VAL 45 4.109 0.737 -0.573 382 HG13 VAL 45 3HG1 VAL 45 2.580 -0.097 -0.848 383 HG21 VAL 45 3HG2 VAL 45 3.043 2.445 0.848 384 HG22 VAL 45 1HG2 VAL 45 2.060 1.969 2.235 385 HG23 VAL 45 2HG2 VAL 45 1.456 1.711 0.596 386 H GLU 46 H GLU 46 3.763 -1.559 3.361 387 HA GLU 46 HA GLU 46 4.687 -3.771 1.836 388 HB2 GLU 46 2HB GLU 46 6.036 -2.463 3.510 389 HB3 GLU 46 3HB GLU 46 5.117 -3.260 4.781 390 HG2 GLU 46 2HG GLU 46 6.022 -5.359 4.260 391 HG3 GLU 46 3HG GLU 46 6.655 -4.795 2.715 392 H GLN 47 H GLN 47 2.533 -3.401 4.619 393 HA GLN 47 HA GLN 47 2.061 -6.073 5.204 394 HB2 GLN 47 2HB GLN 47 1.225 -4.219 6.584 395 HB3 GLN 47 3HB GLN 47 0.089 -3.780 5.317 396 HG2 GLN 47 2HG GLN 47 -1.068 -4.981 7.035 397 HG3 GLN 47 3HG GLN 47 -1.011 -5.972 5.576 398 HE21 GLN 47 1HE2 GLN 47 -1.261 -7.910 6.624 399 HE22 GLN 47 2HE2 GLN 47 -0.052 -8.586 7.667 400 H ALA 48 H ALA 48 0.345 -3.971 2.901 401 HA ALA 48 HA ALA 48 -1.419 -5.923 1.920 402 HB1 ALA 48 3HB ALA 48 -1.667 -3.504 1.509 403 HB2 ALA 48 1HB ALA 48 -1.749 -4.458 0.025 404 HB3 ALA 48 2HB ALA 48 -0.278 -3.568 0.422 405 H ARG 49 H ARG 49 1.903 -5.125 1.077 406 HA ARG 49 HA ARG 49 2.048 -6.715 -1.276 407 HB2 ARG 49 2HB ARG 49 3.668 -4.923 -0.713 408 HB3 ARG 49 3HB ARG 49 4.270 -5.914 0.612 409 HG2 ARG 49 2HG ARG 49 4.892 -7.652 -1.042 410 HG3 ARG 49 3HG ARG 49 4.417 -6.536 -2.328 411 HD2 ARG 49 2HD ARG 49 6.083 -4.950 -1.623 412 HD3 ARG 49 3HD ARG 49 6.487 -5.948 -0.228 413 HE ARG 49 HE ARG 49 6.820 -7.178 -2.844 414 HH11 ARG 49 1HH1 ARG 49 8.329 -5.539 -0.133 415 HH12 ARG 49 2HH1 ARG 49 9.925 -6.102 -0.524 416 HH21 ARG 49 1HH2 ARG 49 8.932 -7.875 -3.387 417 HH22 ARG 49 2HH2 ARG 49 10.269 -7.417 -2.378 418 H LEU 50 H LEU 50 2.571 -7.286 2.136 419 HA LEU 50 HA LEU 50 3.555 -9.946 1.875 420 HB2 LEU 50 2HB LEU 50 3.325 -8.088 3.912 421 HB3 LEU 50 3HB LEU 50 2.168 -9.323 4.370 422 HG LEU 50 HG LEU 50 4.339 -9.714 5.416 423 HD11 LEU 50 1HD1 LEU 50 4.670 -12.037 4.703 424 HD12 LEU 50 2HD1 LEU 50 3.663 -11.734 3.287 425 HD13 LEU 50 3HD1 LEU 50 2.964 -11.640 4.902 426 HD21 LEU 50 3HD2 LEU 50 5.730 -8.650 3.695 427 HD22 LEU 50 1HD2 LEU 50 5.389 -9.992 2.602 428 HD23 LEU 50 2HD2 LEU 50 6.296 -10.275 4.088 429 H GLU 51 H GLU 51 0.376 -8.518 2.499 430 HA GLU 51 HA GLU 51 -1.153 -10.783 2.903 431 HB2 GLU 51 2HB GLU 51 -1.843 -8.245 1.419 432 HB3 GLU 51 3HB GLU 51 -3.027 -9.479 1.823 433 HG2 GLU 51 2HG GLU 51 -1.365 -7.954 3.819 434 HG3 GLU 51 3HG GLU 51 -3.034 -7.581 3.385 435 H PHE 52 H PHE 52 -0.366 -9.238 -0.208 436 HA PHE 52 HA PHE 52 -1.690 -11.243 -1.741 437 HB2 PHE 52 2HB PHE 52 0.274 -9.089 -2.523 438 HB3 PHE 52 3HB PHE 52 -0.467 -10.188 -3.685 439 HD1 PHE 52 HD2 PHE 52 -3.081 -10.326 -3.561 440 HD2 PHE 52 HD1 PHE 52 -0.761 -7.080 -2.088 441 HE1 PHE 52 HE2 PHE 52 -5.054 -8.864 -3.688 442 HE2 PHE 52 HE1 PHE 52 -2.731 -5.615 -2.205 443 HZ PHE 52 HZ PHE 52 -4.881 -6.503 -3.007 444 H GLY 53 H GLY 53 1.528 -10.876 -0.476 445 HA2 GLY 53 2HA GLY 53 2.782 -12.910 -2.014 446 HA3 GLY 53 3HA GLY 53 3.322 -12.311 -0.450 447 H GLN 54 H GLN 54 0.542 -12.981 0.588 448 HA GLN 54 HA GLN 54 1.057 -15.817 1.114 449 HB2 GLN 54 2HB GLN 54 -0.894 -13.929 2.447 450 HB3 GLN 54 3HB GLN 54 -0.506 -15.561 2.973 451 HG2 GLN 54 2HG GLN 54 1.728 -14.912 3.539 452 HG3 GLN 54 3HG GLN 54 1.487 -13.311 2.843 453 HE21 GLN 54 1HE2 GLN 54 2.276 -14.032 5.529 454 HE22 GLN 54 2HE2 GLN 54 1.086 -13.349 6.585 455 H LEU 55 H LEU 55 -1.166 -13.666 -0.455 456 HA LEU 55 HA LEU 55 -3.327 -15.543 -0.683 457 HB2 LEU 55 2HB LEU 55 -2.767 -12.932 -2.087 458 HB3 LEU 55 3HB LEU 55 -4.219 -13.879 -2.341 459 HG LEU 55 HG LEU 55 -3.374 -12.641 0.279 460 HD11 LEU 55 1HD1 LEU 55 -4.081 -10.985 -1.353 461 HD12 LEU 55 2HD1 LEU 55 -5.289 -11.162 -0.081 462 HD13 LEU 55 3HD1 LEU 55 -5.556 -11.897 -1.662 463 HD21 LEU 55 3HD2 LEU 55 -5.582 -13.334 1.062 464 HD22 LEU 55 1HD2 LEU 55 -4.609 -14.725 0.585 465 HD23 LEU 55 2HD2 LEU 55 -5.883 -14.135 -0.481 466 H GLU 56 H GLU 56 -0.711 -14.438 -2.793 467 HA GLU 56 HA GLU 56 -1.609 -16.068 -4.982 468 HB2 GLU 56 2HB GLU 56 1.028 -14.648 -4.554 469 HB3 GLU 56 3HB GLU 56 0.551 -15.457 -6.038 470 HG2 GLU 56 2HG GLU 56 -1.492 -13.850 -5.931 471 HG3 GLU 56 3HG GLU 56 -0.448 -12.910 -4.864 472 H HIS 57 H HIS 57 -0.489 -17.878 -5.832 473 HA HIS 57 HA HIS 57 0.583 -19.694 -3.931 474 HB2 HIS 57 2HB HIS 57 0.792 -19.723 -6.959 475 HB3 HIS 57 3HB HIS 57 1.204 -21.070 -5.903 476 HD1 HIS 57 HD1 HIS 57 -0.737 -22.464 -4.944 477 HD2 HIS 57 HD2 HIS 57 -1.957 -19.261 -7.301 478 HE1 HIS 57 HE1 HIS 57 -3.189 -22.824 -5.369 479 HE2 HIS 57 HE2 HIS 57 -3.841 -21.000 -6.986 480 H HIS 58 H HIS 58 2.763 -20.328 -3.628 481 HA HIS 58 HA HIS 58 4.557 -18.123 -3.692 482 HB2 HIS 58 2HB HIS 58 5.065 -21.037 -3.053 483 HB3 HIS 58 3HB HIS 58 6.226 -19.736 -2.793 484 HD1 HIS 58 HD1 HIS 58 5.731 -18.063 -0.841 485 HD2 HIS 58 HD2 HIS 58 2.996 -21.186 -1.184 486 HE1 HIS 58 HE1 HIS 58 4.383 -18.030 1.285 487 HE2 HIS 58 HE2 HIS 58 2.751 -19.937 1.072 488 H HIS 59 H HIS 59 5.565 -17.402 -5.403 489 HA HIS 59 HA HIS 59 5.580 -19.010 -7.809 490 HB2 HIS 59 2HB HIS 59 6.517 -16.158 -7.478 491 HB3 HIS 59 3HB HIS 59 6.134 -16.975 -8.982 492 HD1 HIS 59 HD1 HIS 59 3.418 -17.815 -8.987 493 HD2 HIS 59 HD2 HIS 59 4.548 -14.573 -6.639 494 HE1 HIS 59 HE1 HIS 59 1.313 -16.493 -8.590 495 HE2 HIS 59 HE2 HIS 59 2.056 -14.450 -7.294 496 H HIS 60 H HIS 60 7.242 -20.308 -8.206 497 HA HIS 60 HA HIS 60 9.287 -20.791 -9.058 498 HB2 HIS 60 2HB HIS 60 9.135 -18.537 -10.047 499 HB3 HIS 60 3HB HIS 60 9.868 -17.857 -8.605 500 HD1 HIS 60 HD1 HIS 60 10.858 -20.607 -11.063 501 HD2 HIS 60 HD2 HIS 60 12.455 -17.308 -9.093 502 HE1 HIS 60 HE1 HIS 60 13.254 -20.462 -11.810 503 HE2 HIS 60 HE2 HIS 60 14.108 -18.315 -10.808 504 H HIS 61 H HIS 61 11.479 -21.218 -8.471 505 HA HIS 61 HA HIS 61 12.166 -21.742 -5.876 506 HB2 HIS 61 2HB HIS 61 13.517 -22.596 -7.660 507 HB3 HIS 61 3HB HIS 61 13.905 -20.978 -8.231 508 HD1 HIS 61 HD1 HIS 61 16.158 -20.229 -7.619 509 HD2 HIS 61 HD2 HIS 61 14.658 -22.975 -4.880 510 HE1 HIS 61 HE1 HIS 61 17.994 -20.588 -5.939 511 HE2 HIS 61 HE2 HIS 61 16.954 -22.036 -4.158 512 H HIS 62 H HIS 62 12.740 -20.604 -4.160 513 HA HIS 62 HA HIS 62 13.497 -17.791 -4.470 514 HB2 HIS 62 2HB HIS 62 11.949 -17.259 -2.521 515 HB3 HIS 62 3HB HIS 62 11.164 -17.601 -4.059 516 HD1 HIS 62 HD1 HIS 62 9.878 -19.857 -4.267 517 HD2 HIS 62 HD2 HIS 62 11.386 -19.060 -0.471 518 HE1 HIS 62 HE1 HIS 62 8.706 -21.459 -2.717 519 HE2 HIS 62 HE2 HIS 62 9.718 -21.041 -0.444
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