NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621877 | 5tn0 | 30193 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 8.446 11.747 0.079 2 H2 MET 1 2H MET 1 8.819 10.160 -0.162 3 H3 MET 1 3H MET 1 9.225 10.886 1.239 4 HA MET 1 HA MET 1 7.302 9.424 1.500 5 HB2 MET 1 2HB MET 1 6.813 12.396 1.950 6 HB3 MET 1 3HB MET 1 5.771 11.117 2.567 7 HG2 MET 1 2HG MET 1 8.710 11.486 3.246 8 HG3 MET 1 3HG MET 1 7.342 11.889 4.275 9 HE1 MET 1 1HE MET 1 8.664 10.504 6.213 10 HE2 MET 1 2HE MET 1 9.207 8.826 5.982 11 HE3 MET 1 3HE MET 1 9.919 10.127 5.010 12 H ILE 2 H ILE 2 6.627 8.480 -0.500 13 HA ILE 2 HA ILE 2 5.136 10.115 -2.400 14 HB ILE 2 HB ILE 2 5.699 7.165 -2.557 15 HG12 ILE 2 2HG1 ILE 2 7.834 8.216 -2.384 16 HG13 ILE 2 3HG1 ILE 2 7.550 7.641 -4.013 17 HG21 ILE 2 1HG2 ILE 2 3.949 7.729 -4.075 18 HG22 ILE 2 2HG2 ILE 2 4.774 9.220 -4.580 19 HG23 ILE 2 3HG2 ILE 2 5.431 7.643 -5.033 20 HD11 ILE 2 1HD1 ILE 2 7.277 10.520 -3.091 21 HD12 ILE 2 2HD1 ILE 2 8.624 9.835 -4.027 22 HD13 ILE 2 3HD1 ILE 2 7.002 9.928 -4.747 23 H GLY 3 H GLY 3 4.119 7.056 -0.746 24 HA2 GLY 3 2HA GLY 3 2.068 6.413 0.123 25 HA3 GLY 3 3HA GLY 3 1.457 8.055 -0.047 26 H GLN 4 H GLN 4 1.441 8.611 -2.695 27 HA GLN 4 HA GLN 4 -0.671 7.088 -3.810 28 HB2 GLN 4 2HB GLN 4 -0.319 8.382 -5.746 29 HB3 GLN 4 3HB GLN 4 -0.084 9.445 -4.371 30 HG2 GLN 4 2HG GLN 4 2.328 9.411 -4.686 31 HG3 GLN 4 3HG GLN 4 2.215 8.138 -5.915 32 HE21 GLN 4 1HE2 GLN 4 3.612 10.009 -6.965 33 HE22 GLN 4 2HE2 GLN 4 2.671 11.138 -7.929 34 H ARG 5 H ARG 5 2.512 6.101 -3.358 35 HA ARG 5 HA ARG 5 2.837 4.261 -5.567 36 HB2 ARG 5 2HB ARG 5 4.220 4.906 -3.078 37 HB3 ARG 5 3HB ARG 5 3.715 3.283 -2.908 38 HG2 ARG 5 2HG ARG 5 5.819 3.007 -3.899 39 HG3 ARG 5 3HG ARG 5 4.727 2.866 -5.227 40 HD2 ARG 5 2HD ARG 5 4.988 5.460 -5.379 41 HD3 ARG 5 3HD ARG 5 6.467 5.219 -4.459 42 HE ARG 5 HE ARG 5 5.827 4.221 -7.206 43 HH11 ARG 5 1HH1 ARG 5 8.304 4.417 -4.693 44 HH12 ARG 5 2HH1 ARG 5 9.589 4.184 -5.842 45 HH21 ARG 5 1HH2 ARG 5 9.151 3.735 -7.959 46 HH22 ARG 5 2HH2 ARG 5 7.523 3.802 -8.562 47 H ILE 6 H ILE 6 1.243 3.949 -2.270 48 HA ILE 6 HA ILE 6 0.316 1.304 -2.745 49 HB ILE 6 HB ILE 6 -0.529 3.522 -0.873 50 HG12 ILE 6 2HG1 ILE 6 -0.800 1.820 0.754 51 HG13 ILE 6 3HG1 ILE 6 -0.686 0.538 -0.462 52 HG21 ILE 6 1HG2 ILE 6 -2.738 3.265 -1.884 53 HG22 ILE 6 2HG2 ILE 6 -2.615 1.498 -1.794 54 HG23 ILE 6 3HG2 ILE 6 -2.742 2.505 -0.316 55 HD11 ILE 6 1HD1 ILE 6 1.367 1.146 1.011 56 HD12 ILE 6 2HD1 ILE 6 1.575 0.816 -0.720 57 HD13 ILE 6 3HD1 ILE 6 1.578 2.508 -0.136 58 H LYS 7 H LYS 7 -1.138 4.520 -3.641 59 HA LYS 7 HA LYS 7 -3.421 3.367 -4.942 60 HB2 LYS 7 2HB LYS 7 -3.390 5.727 -4.488 61 HB3 LYS 7 3HB LYS 7 -1.950 5.993 -5.461 62 HG2 LYS 7 2HG LYS 7 -3.120 5.645 -7.511 63 HG3 LYS 7 3HG LYS 7 -4.499 4.937 -6.678 64 HD2 LYS 7 2HD LYS 7 -5.043 7.189 -7.436 65 HD3 LYS 7 3HD LYS 7 -5.030 7.150 -5.667 66 HE2 LYS 7 2HE LYS 7 -2.758 8.144 -5.649 67 HE3 LYS 7 3HE LYS 7 -2.719 8.120 -7.418 68 HZ1 LYS 7 1HZ LYS 7 -4.636 9.697 -5.778 69 HZ2 LYS 7 2HZ LYS 7 -4.599 9.674 -7.412 70 HZ3 LYS 7 3HZ LYS 7 -3.351 10.308 -6.577 71 H GLN 8 H GLN 8 -0.440 4.367 -6.517 72 HA GLN 8 HA GLN 8 -0.740 3.549 -9.143 73 HB2 GLN 8 2HB GLN 8 1.303 4.714 -8.065 74 HB3 GLN 8 3HB GLN 8 1.692 3.227 -7.259 75 HG2 GLN 8 2HG GLN 8 2.160 2.112 -9.409 76 HG3 GLN 8 3HG GLN 8 1.670 3.597 -10.222 77 HE21 GLN 8 1HE2 GLN 8 5.193 4.145 -10.361 78 HE22 GLN 8 2HE2 GLN 8 3.827 3.505 -11.256 79 H TYR 9 H TYR 9 0.640 1.524 -6.542 80 HA TYR 9 HA TYR 9 0.680 -0.862 -8.209 81 HB2 TYR 9 2HB TYR 9 0.980 -0.332 -5.301 82 HB3 TYR 9 3HB TYR 9 1.397 -1.839 -6.120 83 HD1 TYR 9 HD1 TYR 9 2.730 -0.511 -8.623 84 HD2 TYR 9 HD2 TYR 9 3.129 0.039 -4.346 85 HE1 TYR 9 HE1 TYR 9 5.068 0.233 -8.936 86 HE2 TYR 9 HE2 TYR 9 5.473 0.581 -4.652 87 HH TYR 9 HH TYR 9 7.031 0.775 -7.914 88 H ARG 10 H ARG 10 -1.554 0.235 -5.581 89 HA ARG 10 HA ARG 10 -3.036 -2.110 -5.501 90 HB2 ARG 10 2HB ARG 10 -3.594 -0.519 -3.919 91 HB3 ARG 10 3HB ARG 10 -3.703 0.803 -5.075 92 HG2 ARG 10 2HG ARG 10 -5.876 -0.277 -5.819 93 HG3 ARG 10 3HG ARG 10 -5.597 -1.338 -4.406 94 HD2 ARG 10 2HD ARG 10 -6.943 0.351 -3.586 95 HD3 ARG 10 3HD ARG 10 -5.355 0.723 -2.998 96 HE ARG 10 HE ARG 10 -5.707 2.770 -3.780 97 HH11 ARG 10 1HH1 ARG 10 -7.280 0.834 -6.306 98 HH12 ARG 10 2HH1 ARG 10 -7.952 2.269 -7.016 99 HH21 ARG 10 1HH2 ARG 10 -6.556 4.443 -4.733 100 HH22 ARG 10 2HH2 ARG 10 -7.510 4.264 -6.192 101 H LYS 11 H LYS 11 -3.654 0.772 -7.624 102 HA LYS 11 HA LYS 11 -5.780 -0.462 -9.022 103 HB2 LYS 11 2HB LYS 11 -5.271 0.996 -10.968 104 HB3 LYS 11 3HB LYS 11 -5.627 1.800 -9.424 105 HG2 LYS 11 2HG LYS 11 -3.493 2.680 -9.486 106 HG3 LYS 11 3HG LYS 11 -2.817 1.257 -10.027 107 HD2 LYS 11 2HD LYS 11 -2.448 2.648 -11.821 108 HD3 LYS 11 3HD LYS 11 -3.600 1.487 -12.315 109 HE2 LYS 11 2HE LYS 11 -4.330 3.587 -13.213 110 HE3 LYS 11 3HE LYS 11 -5.457 3.165 -11.923 111 HZ1 LYS 11 1HZ LYS 11 -4.768 5.496 -11.809 112 HZ2 LYS 11 2HZ LYS 11 -3.198 5.087 -11.666 113 HZ3 LYS 11 3HZ LYS 11 -4.257 4.721 -10.468 114 H GLU 12 H GLU 12 -2.259 -0.423 -9.715 115 HA GLU 12 HA GLU 12 -2.513 -1.649 -12.221 116 HB2 GLU 12 2HB GLU 12 -0.813 -0.155 -11.620 117 HB3 GLU 12 3HB GLU 12 -0.181 -1.223 -10.398 118 HG2 GLU 12 2HG GLU 12 -0.292 -1.863 -13.322 119 HG3 GLU 12 3HG GLU 12 1.057 -0.966 -12.604 120 H LYS 13 H LYS 13 -2.221 -3.003 -8.988 121 HA LYS 13 HA LYS 13 -1.909 -5.813 -9.687 122 HB2 LYS 13 2HB LYS 13 -2.765 -4.453 -7.107 123 HB3 LYS 13 3HB LYS 13 -2.568 -6.142 -7.309 124 HG2 LYS 13 2HG LYS 13 -0.209 -4.390 -7.911 125 HG3 LYS 13 3HG LYS 13 -0.639 -4.764 -6.272 126 HD2 LYS 13 2HD LYS 13 1.171 -6.172 -7.363 127 HD3 LYS 13 3HD LYS 13 -0.107 -7.014 -6.460 128 HE2 LYS 13 2HE LYS 13 -1.285 -7.516 -8.587 129 HE3 LYS 13 3HE LYS 13 0.016 -6.728 -9.487 130 HZ1 LYS 13 1HZ LYS 13 1.542 -8.439 -8.539 131 HZ2 LYS 13 2HZ LYS 13 0.337 -9.133 -9.399 132 HZ3 LYS 13 3HZ LYS 13 0.289 -9.145 -7.766 133 H GLY 14 H GLY 14 -4.627 -3.721 -9.682 134 HA2 GLY 14 2HA GLY 14 -6.824 -4.423 -10.427 135 HA3 GLY 14 3HA GLY 14 -6.452 -6.105 -10.042 136 H TYR 15 H TYR 15 -5.669 -3.594 -7.824 137 HA TYR 15 HA TYR 15 -7.713 -4.551 -5.896 138 HB2 TYR 15 2HB TYR 15 -5.108 -3.051 -5.539 139 HB3 TYR 15 3HB TYR 15 -6.074 -3.639 -4.254 140 HD1 TYR 15 HD1 TYR 15 -6.404 -6.376 -6.171 141 HD2 TYR 15 HD2 TYR 15 -3.178 -4.062 -4.499 142 HE1 TYR 15 HE1 TYR 15 -4.922 -8.395 -6.193 143 HE2 TYR 15 HE2 TYR 15 -1.780 -6.138 -4.319 144 HH TYR 15 HH TYR 15 -1.640 -8.356 -4.744 145 H SER 16 H SER 16 -8.179 -3.024 -4.282 146 HA SER 16 HA SER 16 -8.809 -0.269 -4.954 147 HB2 SER 16 2HB SER 16 -11.090 -0.492 -4.130 148 HB3 SER 16 3HB SER 16 -10.921 -1.690 -5.465 149 HG SER 16 HG SER 16 -11.775 -2.888 -3.871 150 H LEU 17 H LEU 17 -9.875 0.602 -2.754 151 HA LEU 17 HA LEU 17 -7.631 0.390 -1.004 152 HB2 LEU 17 2HB LEU 17 -10.289 1.746 -0.358 153 HB3 LEU 17 3HB LEU 17 -8.787 1.902 0.387 154 HG LEU 17 HG LEU 17 -7.902 2.582 -2.040 155 HD11 LEU 17 1HD1 LEU 17 -10.881 3.091 -2.039 156 HD12 LEU 17 2HD1 LEU 17 -9.951 2.144 -3.226 157 HD13 LEU 17 3HD1 LEU 17 -9.734 3.892 -3.164 158 HD21 LEU 17 1HD2 LEU 17 -7.731 4.016 -0.238 159 HD22 LEU 17 2HD2 LEU 17 -9.501 4.248 -0.082 160 HD23 LEU 17 3HD2 LEU 17 -8.590 4.961 -1.457 161 H SER 18 H SER 18 -10.650 -1.221 -1.165 162 HA SER 18 HA SER 18 -10.483 -2.400 1.573 163 HB2 SER 18 2HB SER 18 -12.618 -1.619 1.077 164 HB3 SER 18 3HB SER 18 -12.533 -2.165 -0.587 165 HG SER 18 HG SER 18 -12.925 -3.704 1.796 166 H GLU 19 H GLU 19 -10.449 -3.497 -1.881 167 HA GLU 19 HA GLU 19 -9.840 -6.272 -1.464 168 HB2 GLU 19 3HB GLU 19 -9.077 -4.273 -3.568 169 HB3 GLU 19 2HB GLU 19 -8.370 -5.811 -3.633 170 HG2 GLU 19 2HG GLU 19 -10.445 -5.259 -5.020 171 HG3 GLU 19 3HG GLU 19 -10.286 -6.862 -4.281 172 H LEU 20 H LEU 20 -7.636 -3.469 -1.923 173 HA LEU 20 HA LEU 20 -5.303 -4.952 -1.647 174 HB2 LEU 20 2HB LEU 20 -5.726 -2.566 -2.565 175 HB3 LEU 20 3HB LEU 20 -5.675 -1.967 -0.985 176 HG LEU 20 HG LEU 20 -3.768 -2.535 -3.081 177 HD11 LEU 20 1HD1 LEU 20 -3.998 -0.520 -1.698 178 HD12 LEU 20 2HD1 LEU 20 -2.320 -1.118 -1.860 179 HD13 LEU 20 3HD1 LEU 20 -3.225 -1.433 -0.356 180 HD21 LEU 20 1HD2 LEU 20 -1.971 -3.592 -1.945 181 HD22 LEU 20 2HD2 LEU 20 -3.374 -4.640 -2.072 182 HD23 LEU 20 3HD2 LEU 20 -2.996 -3.856 -0.509 183 H ALA 21 H ALA 21 -7.156 -3.055 0.795 184 HA ALA 21 HA ALA 21 -5.524 -3.669 2.965 185 HB1 ALA 21 1HB ALA 21 -8.544 -3.389 3.011 186 HB2 ALA 21 2HB ALA 21 -7.422 -3.210 4.382 187 HB3 ALA 21 3HB ALA 21 -7.362 -2.064 3.025 188 H GLU 22 H GLU 22 -8.178 -5.728 1.752 189 HA GLU 22 HA GLU 22 -7.891 -7.644 3.946 190 HB2 GLU 22 2HB GLU 22 -9.285 -9.149 2.730 191 HB3 GLU 22 3HB GLU 22 -10.024 -7.533 2.738 192 HG2 GLU 22 2HG GLU 22 -9.801 -7.259 0.470 193 HG3 GLU 22 3HG GLU 22 -8.439 -8.358 0.444 194 H LYS 23 H LYS 23 -6.372 -7.260 0.816 195 HA LYS 23 HA LYS 23 -5.139 -9.923 0.738 196 HB2 LYS 23 2HB LYS 23 -4.649 -7.331 -0.784 197 HB3 LYS 23 3HB LYS 23 -3.853 -8.875 -1.166 198 HG2 LYS 23 2HG LYS 23 -5.972 -9.922 -1.690 199 HG3 LYS 23 3HG LYS 23 -6.851 -8.557 -1.123 200 HD2 LYS 23 2HD LYS 23 -5.609 -7.148 -3.027 201 HD3 LYS 23 3HD LYS 23 -5.310 -8.728 -3.720 202 HE2 LYS 23 2HE LYS 23 -8.064 -7.784 -2.861 203 HE3 LYS 23 3HE LYS 23 -7.448 -7.692 -4.510 204 HZ1 LYS 23 1HZ LYS 23 -7.910 -10.186 -2.962 205 HZ2 LYS 23 2HZ LYS 23 -7.239 -10.152 -4.458 206 HZ3 LYS 23 3HZ LYS 23 -8.784 -9.674 -4.233 207 H ALA 24 H ALA 24 -3.907 -6.603 1.215 208 HA ALA 24 HA ALA 24 -1.333 -6.982 2.020 209 HB1 ALA 24 1HB ALA 24 -2.344 -4.850 1.597 210 HB2 ALA 24 2HB ALA 24 -3.545 -5.081 2.866 211 HB3 ALA 24 3HB ALA 24 -1.833 -4.785 3.320 212 H GLY 25 H GLY 25 -4.311 -7.185 4.002 213 HA2 GLY 25 2HA GLY 25 -4.544 -8.224 6.136 214 HA3 GLY 25 3HA GLY 25 -2.793 -8.251 6.334 215 H VAL 26 H VAL 26 -4.885 -5.530 5.487 216 HA VAL 26 HA VAL 26 -3.951 -3.998 7.903 217 HB VAL 26 HB VAL 26 -3.438 -2.134 6.651 218 HG11 VAL 26 1HG1 VAL 26 -2.050 -4.672 5.744 219 HG12 VAL 26 2HG1 VAL 26 -1.394 -3.020 5.570 220 HG13 VAL 26 3HG1 VAL 26 -1.821 -3.686 7.217 221 HG21 VAL 26 1HG2 VAL 26 -3.269 -2.225 4.260 222 HG22 VAL 26 2HG2 VAL 26 -4.032 -3.855 4.349 223 HG23 VAL 26 3HG2 VAL 26 -4.944 -2.375 4.858 224 H ALA 27 H ALA 27 -5.177 -1.824 7.622 225 HA ALA 27 HA ALA 27 -8.116 -2.441 7.699 226 HB1 ALA 27 1HB ALA 27 -6.516 0.018 8.522 227 HB2 ALA 27 2HB ALA 27 -8.249 -0.270 8.848 228 HB3 ALA 27 3HB ALA 27 -6.998 -1.309 9.589 229 H LYS 28 H LYS 28 -9.582 -1.559 6.022 230 HA LYS 28 HA LYS 28 -8.410 -0.358 3.665 231 HB2 LYS 28 2HB LYS 28 -10.745 -1.189 3.568 232 HB3 LYS 28 3HB LYS 28 -11.264 0.079 4.700 233 HG2 LYS 28 2HG LYS 28 -9.805 0.961 2.204 234 HG3 LYS 28 3HG LYS 28 -11.414 0.392 2.054 235 HD2 LYS 28 2HD LYS 28 -12.203 2.039 3.749 236 HD3 LYS 28 3HD LYS 28 -10.617 2.798 3.451 237 HE2 LYS 28 2HE LYS 28 -11.033 3.201 1.188 238 HE3 LYS 28 3HE LYS 28 -12.419 2.124 1.141 239 HZ1 LYS 28 1HZ LYS 28 -13.093 4.475 1.243 240 HZ2 LYS 28 2HZ LYS 28 -12.329 4.678 2.676 241 HZ3 LYS 28 3HZ LYS 28 -13.622 3.688 2.567 242 H SER 29 H SER 29 -9.696 1.041 6.632 243 HA SER 29 HA SER 29 -9.618 3.666 5.806 244 HB2 SER 29 2HB SER 29 -10.691 2.931 7.894 245 HB3 SER 29 3HB SER 29 -9.108 2.543 8.584 246 HG SER 29 HG SER 29 -10.165 5.108 7.945 247 H TYR 30 H TYR 30 -6.926 1.557 6.655 248 HA TYR 30 HA TYR 30 -4.849 3.602 6.762 249 HB2 TYR 30 2HB TYR 30 -4.816 0.601 6.580 250 HB3 TYR 30 3HB TYR 30 -3.752 1.344 5.491 251 HD1 TYR 30 HD1 TYR 30 -2.151 3.060 6.098 252 HD2 TYR 30 HD2 TYR 30 -4.074 0.572 9.029 253 HE1 TYR 30 HE1 TYR 30 -0.285 3.452 7.551 254 HE2 TYR 30 HE2 TYR 30 -2.204 1.043 10.619 255 HH TYR 30 HH TYR 30 -0.304 2.257 10.996 256 H LEU 31 H LEU 31 -5.925 1.418 4.064 257 HA LEU 31 HA LEU 31 -4.150 2.745 2.373 258 HB2 LEU 31 3HB LEU 31 -6.626 1.127 1.672 259 HB3 LEU 31 2HB LEU 31 -5.468 1.710 0.465 260 HG LEU 31 HG LEU 31 -5.005 -0.562 0.873 261 HD11 LEU 31 1HD1 LEU 31 -2.757 -0.691 2.045 262 HD12 LEU 31 2HD1 LEU 31 -2.947 1.006 2.473 263 HD13 LEU 31 3HD1 LEU 31 -2.843 0.545 0.761 264 HD21 LEU 31 1HD2 LEU 31 -6.143 -0.461 3.189 265 HD22 LEU 31 2HD2 LEU 31 -4.492 -0.181 3.808 266 HD23 LEU 31 3HD2 LEU 31 -4.882 -1.628 2.822 267 H SER 32 H SER 32 -7.649 3.437 2.920 268 HA SER 32 HA SER 32 -7.801 5.604 1.048 269 HB2 SER 32 2HB SER 32 -9.680 6.444 2.283 270 HB3 SER 32 3HB SER 32 -9.781 4.703 2.017 271 HG SER 32 HG SER 32 -9.293 6.114 4.417 272 H SER 33 H SER 33 -6.706 5.653 4.523 273 HA SER 33 HA SER 33 -6.243 8.508 4.393 274 HB2 SER 33 2HB SER 33 -6.808 7.283 6.451 275 HB3 SER 33 3HB SER 33 -5.262 6.438 6.364 276 HG SER 33 HG SER 33 -5.782 9.209 6.809 277 H ILE 34 H ILE 34 -3.908 5.707 3.984 278 HA ILE 34 HA ILE 34 -1.573 7.073 3.496 279 HB ILE 34 HB ILE 34 -2.814 4.683 2.033 280 HG12 ILE 34 2HG1 ILE 34 -2.321 4.251 4.422 281 HG13 ILE 34 3HG1 ILE 34 -1.419 3.227 3.382 282 HG21 ILE 34 1HG2 ILE 34 -0.107 5.957 1.721 283 HG22 ILE 34 2HG2 ILE 34 -0.382 4.230 1.289 284 HG23 ILE 34 3HG2 ILE 34 -1.280 5.484 0.461 285 HD11 ILE 34 1HD1 ILE 34 -0.083 4.106 5.256 286 HD12 ILE 34 2HD1 ILE 34 0.604 4.442 3.656 287 HD13 ILE 34 3HD1 ILE 34 -0.247 5.722 4.535 288 H GLU 35 H GLU 35 -4.072 6.317 1.088 289 HA GLU 35 HA GLU 35 -3.020 7.997 -0.972 290 HB2 GLU 35 2HB GLU 35 -5.822 6.888 -0.555 291 HB3 GLU 35 3HB GLU 35 -5.277 7.726 -2.020 292 HG2 GLU 35 2HG GLU 35 -3.456 6.077 -2.303 293 HG3 GLU 35 3HG GLU 35 -3.971 5.209 -0.876 294 H ARG 36 H ARG 36 -5.144 8.923 1.725 295 HA ARG 36 HA ARG 36 -5.383 11.693 0.763 296 HB2 ARG 36 2HB ARG 36 -5.783 10.524 3.549 297 HB3 ARG 36 3HB ARG 36 -6.088 12.197 3.102 298 HG2 ARG 36 2HG ARG 36 -7.519 9.921 1.704 299 HG3 ARG 36 3HG ARG 36 -8.110 10.628 3.213 300 HD2 ARG 36 2HD ARG 36 -8.331 12.800 2.228 301 HD3 ARG 36 3HD ARG 36 -7.438 12.314 0.797 302 HE ARG 36 HE ARG 36 -10.269 11.828 1.398 303 HH11 ARG 36 1HH1 ARG 36 -7.645 10.755 -0.669 304 HH12 ARG 36 2HH1 ARG 36 -8.736 10.108 -1.863 305 HH21 ARG 36 1HH2 ARG 36 -11.592 10.977 -0.161 306 HH22 ARG 36 2HH2 ARG 36 -10.910 10.228 -1.574 307 H ASN 37 H ASN 37 -3.660 10.670 3.708 308 HA ASN 37 HA ASN 37 -1.270 12.229 3.093 309 HB2 ASN 37 2HB ASN 37 -1.614 14.005 4.670 310 HB3 ASN 37 3HB ASN 37 -2.987 14.000 3.585 311 HD21 ASN 37 1HD2 ASN 37 -2.873 15.213 6.210 312 HD22 ASN 37 2HD2 ASN 37 -4.087 14.390 7.180 313 H LEU 38 H LEU 38 -2.153 9.483 4.398 314 HA LEU 38 HA LEU 38 -1.061 9.605 7.081 315 HB2 LEU 38 2HB LEU 38 -2.788 7.969 6.105 316 HB3 LEU 38 3HB LEU 38 -1.452 7.092 5.473 317 HG LEU 38 HG LEU 38 -1.886 7.569 8.396 318 HD11 LEU 38 1HD1 LEU 38 -3.665 6.242 7.689 319 HD12 LEU 38 2HD1 LEU 38 -2.512 5.125 8.392 320 HD13 LEU 38 3HD1 LEU 38 -2.630 5.261 6.623 321 HD21 LEU 38 1HD2 LEU 38 0.050 5.738 6.951 322 HD22 LEU 38 2HD2 LEU 38 -0.354 5.597 8.673 323 HD23 LEU 38 3HD2 LEU 38 0.449 7.040 8.100 324 H GLN 39 H GLN 39 0.216 8.306 4.005 325 HA GLN 39 HA GLN 39 2.678 7.528 5.250 326 HB2 GLN 39 2HB GLN 39 1.377 6.702 3.059 327 HB3 GLN 39 3HB GLN 39 2.593 7.662 2.262 328 HG2 GLN 39 2HG GLN 39 2.888 5.232 4.062 329 HG3 GLN 39 3HG GLN 39 3.397 5.411 2.384 330 HE21 GLN 39 1HE2 GLN 39 4.854 8.005 2.811 331 HE22 GLN 39 2HE2 GLN 39 6.249 7.548 3.781 332 H THR 40 H THR 40 2.844 9.668 6.181 333 HA THR 40 HA THR 40 5.034 11.182 4.830 334 HB THR 40 HB THR 40 4.268 13.193 5.875 335 HG1 THR 40 HG1 THR 40 3.514 12.567 7.824 336 HG21 THR 40 1HG2 THR 40 2.030 13.507 4.921 337 HG22 THR 40 2HG2 THR 40 1.778 11.751 4.813 338 HG23 THR 40 3HG2 THR 40 3.015 12.532 3.809 339 H ASN 41 H ASN 41 4.203 9.050 7.213 340 HA ASN 41 HA ASN 41 6.797 9.159 8.529 341 HB2 ASN 41 2HB ASN 41 5.503 10.677 9.969 342 HB3 ASN 41 3HB ASN 41 4.192 9.500 10.075 343 HD21 ASN 41 1HD2 ASN 41 4.338 9.390 12.379 344 HD22 ASN 41 2HD2 ASN 41 5.700 8.591 13.151 345 HA PRO 42 HA PRO 42 5.417 5.132 7.204 346 HB2 PRO 42 2HB PRO 42 7.698 3.633 7.552 347 HB3 PRO 42 3HB PRO 42 7.500 4.884 6.285 348 HG2 PRO 42 2HG PRO 42 8.828 5.180 8.995 349 HG3 PRO 42 3HG PRO 42 9.463 5.661 7.386 350 HD2 PRO 42 2HD PRO 42 8.244 7.457 9.000 351 HD3 PRO 42 3HD PRO 42 7.957 7.480 7.234 352 H SER 43 H SER 43 4.139 3.601 8.111 353 HA SER 43 HA SER 43 4.906 2.311 10.714 354 HB2 SER 43 2HB SER 43 2.563 2.864 10.531 355 HB3 SER 43 3HB SER 43 2.450 1.992 8.989 356 HG SER 43 HG SER 43 1.826 0.771 10.917 357 H ILE 44 H ILE 44 6.771 1.269 10.160 358 HA ILE 44 HA ILE 44 7.270 0.108 7.639 359 HB ILE 44 HB ILE 44 8.519 -0.609 10.297 360 HG12 ILE 44 2HG1 ILE 44 9.592 1.160 8.035 361 HG13 ILE 44 3HG1 ILE 44 8.695 1.819 9.392 362 HG21 ILE 44 1HG2 ILE 44 8.926 -2.434 8.695 363 HG22 ILE 44 2HG2 ILE 44 9.413 -1.272 7.445 364 HG23 ILE 44 3HG2 ILE 44 10.405 -1.515 8.899 365 HD11 ILE 44 1HD1 ILE 44 11.031 2.110 9.834 366 HD12 ILE 44 2HD1 ILE 44 10.394 0.908 10.975 367 HD13 ILE 44 3HD1 ILE 44 11.371 0.393 9.577 368 H GLN 45 H GLN 45 5.806 -1.443 10.519 369 HA GLN 45 HA GLN 45 5.668 -4.074 9.538 370 HB2 GLN 45 2HB GLN 45 5.210 -3.423 11.839 371 HB3 GLN 45 3HB GLN 45 3.729 -2.587 11.346 372 HG2 GLN 45 2HG GLN 45 2.721 -4.722 10.635 373 HG3 GLN 45 3HG GLN 45 4.239 -5.569 10.951 374 HE21 GLN 45 1HE2 GLN 45 2.565 -6.904 12.267 375 HE22 GLN 45 2HE2 GLN 45 2.341 -6.384 13.932 376 H PHE 46 H PHE 46 3.284 -1.477 9.161 377 HA PHE 46 HA PHE 46 1.277 -2.901 7.518 378 HB2 PHE 46 2HB PHE 46 0.535 -0.894 8.625 379 HB3 PHE 46 3HB PHE 46 1.981 -0.005 8.171 380 HD1 PHE 46 HD1 PHE 46 2.334 0.938 5.944 381 HD2 PHE 46 HD2 PHE 46 -1.312 -1.085 7.006 382 HE1 PHE 46 HE1 PHE 46 1.384 1.536 3.726 383 HE2 PHE 46 HE2 PHE 46 -2.322 -0.423 4.850 384 HZ PHE 46 HZ PHE 46 -0.977 0.970 3.235 385 H LEU 47 H LEU 47 4.152 -0.987 6.863 386 HA LEU 47 HA LEU 47 3.712 -0.951 3.980 387 HB2 LEU 47 2HB LEU 47 6.190 -0.546 5.724 388 HB3 LEU 47 3HB LEU 47 6.285 -0.478 3.986 389 HG LEU 47 HG LEU 47 4.533 1.437 5.601 390 HD11 LEU 47 1HD1 LEU 47 6.825 1.688 6.412 391 HD12 LEU 47 2HD1 LEU 47 6.409 3.046 5.363 392 HD13 LEU 47 3HD1 LEU 47 7.443 1.747 4.743 393 HD21 LEU 47 1HD2 LEU 47 5.814 1.556 2.854 394 HD22 LEU 47 2HD2 LEU 47 4.965 2.915 3.607 395 HD23 LEU 47 3HD2 LEU 47 4.061 1.442 3.222 396 H GLU 48 H GLU 48 5.591 -3.128 6.151 397 HA GLU 48 HA GLU 48 6.507 -4.896 4.191 398 HB2 GLU 48 2HB GLU 48 5.375 -6.114 6.709 399 HB3 GLU 48 3HB GLU 48 6.741 -6.589 5.722 400 HG2 GLU 48 2HG GLU 48 7.772 -4.295 6.627 401 HG3 GLU 48 3HG GLU 48 6.545 -4.504 7.846 402 H LYS 49 H LYS 49 3.403 -4.988 5.962 403 HA LYS 49 HA LYS 49 2.109 -7.174 4.804 404 HB2 LYS 49 2HB LYS 49 0.921 -4.489 5.655 405 HB3 LYS 49 3HB LYS 49 0.000 -5.846 5.474 406 HG2 LYS 49 2HG LYS 49 2.113 -6.623 7.268 407 HG3 LYS 49 3HG LYS 49 1.673 -4.956 7.645 408 HD2 LYS 49 2HD LYS 49 0.372 -6.305 9.084 409 HD3 LYS 49 3HD LYS 49 -0.710 -5.646 7.861 410 HE2 LYS 49 2HE LYS 49 -1.300 -7.944 8.257 411 HE3 LYS 49 3HE LYS 49 -0.635 -7.816 6.631 412 HZ1 LYS 49 1HZ LYS 49 0.250 -9.740 7.831 413 HZ2 LYS 49 2HZ LYS 49 0.848 -8.799 9.019 414 HZ3 LYS 49 3HZ LYS 49 1.471 -8.711 7.507 415 H VAL 50 H VAL 50 1.556 -3.849 3.682 416 HA VAL 50 HA VAL 50 0.143 -4.912 1.248 417 HB VAL 50 HB VAL 50 -1.040 -3.167 2.126 418 HG11 VAL 50 1HG1 VAL 50 1.603 -1.941 2.598 419 HG12 VAL 50 2HG1 VAL 50 0.125 -0.925 2.430 420 HG13 VAL 50 3HG1 VAL 50 0.157 -2.235 3.643 421 HG21 VAL 50 1HG2 VAL 50 0.517 -1.743 0.010 422 HG22 VAL 50 2HG2 VAL 50 -0.672 -3.051 -0.313 423 HG23 VAL 50 3HG2 VAL 50 -1.165 -1.527 0.475 424 H SER 51 H SER 51 3.326 -3.334 1.837 425 HA SER 51 HA SER 51 3.947 -3.061 -1.008 426 HB2 SER 51 2HB SER 51 6.224 -2.968 -0.456 427 HB3 SER 51 3HB SER 51 5.417 -2.133 0.851 428 HG SER 51 HG SER 51 5.729 -3.827 2.146 429 H ALA 52 H ALA 52 4.250 -5.705 1.321 430 HA ALA 52 HA ALA 52 5.449 -7.649 -0.438 431 HB1 ALA 52 1HB ALA 52 4.380 -9.331 1.133 432 HB2 ALA 52 2HB ALA 52 5.344 -8.080 1.940 433 HB3 ALA 52 3HB ALA 52 3.573 -7.965 1.944 434 H VAL 53 H VAL 53 2.024 -6.900 0.266 435 HA VAL 53 HA VAL 53 1.015 -8.693 -1.742 436 HB VAL 53 HB VAL 53 0.032 -7.235 0.389 437 HG11 VAL 53 1HG1 VAL 53 -1.587 -6.286 -2.001 438 HG12 VAL 53 2HG1 VAL 53 -1.988 -6.111 -0.298 439 HG13 VAL 53 3HG1 VAL 53 -0.600 -5.246 -0.918 440 HG21 VAL 53 1HG2 VAL 53 -1.676 -8.625 -1.641 441 HG22 VAL 53 2HG2 VAL 53 -0.553 -9.501 -0.540 442 HG23 VAL 53 3HG2 VAL 53 -1.773 -8.473 0.167 443 H LEU 54 H LEU 54 1.955 -5.328 -2.039 444 HA LEU 54 HA LEU 54 0.903 -5.036 -4.725 445 HB2 LEU 54 2HB LEU 54 2.710 -3.266 -2.991 446 HB3 LEU 54 3HB LEU 54 2.203 -2.848 -4.570 447 HG LEU 54 HG LEU 54 0.351 -3.427 -2.281 448 HD11 LEU 54 1HD1 LEU 54 1.604 -1.497 -1.828 449 HD12 LEU 54 2HD1 LEU 54 -0.026 -0.955 -2.292 450 HD13 LEU 54 3HD1 LEU 54 1.364 -0.818 -3.396 451 HD21 LEU 54 1HD2 LEU 54 -0.292 -2.666 -5.160 452 HD22 LEU 54 2HD2 LEU 54 -1.432 -2.182 -3.909 453 HD23 LEU 54 3HD2 LEU 54 -1.066 -3.871 -4.173 454 H ASP 55 H ASP 55 3.419 -6.905 -3.867 455 HA ASP 55 HA ASP 55 5.209 -7.778 -4.935 456 HB2 ASP 55 2HB ASP 55 4.116 -6.364 -7.371 457 HB3 ASP 55 3HB ASP 55 5.591 -7.238 -7.417 458 H VAL 56 H VAL 56 5.410 -5.546 -3.375 459 HA VAL 56 HA VAL 56 7.603 -3.852 -4.495 460 HB VAL 56 HB VAL 56 4.770 -3.492 -3.648 461 HG11 VAL 56 1HG1 VAL 56 5.804 -1.871 -2.128 462 HG12 VAL 56 2HG1 VAL 56 6.504 -1.074 -3.553 463 HG13 VAL 56 3HG1 VAL 56 4.720 -1.280 -3.363 464 HG21 VAL 56 1HG2 VAL 56 6.471 -2.162 -5.745 465 HG22 VAL 56 2HG2 VAL 56 5.623 -3.722 -5.992 466 HG23 VAL 56 3HG2 VAL 56 4.674 -2.286 -5.665 467 H SER 57 H SER 57 8.537 -2.317 -2.689 468 HA SER 57 HA SER 57 9.230 -4.207 -0.517 469 HB2 SER 57 2HB SER 57 11.186 -2.575 -2.141 470 HB3 SER 57 3HB SER 57 11.547 -3.914 -1.046 471 HG SER 57 HG SER 57 11.581 -4.570 -3.243 472 H VAL 58 H VAL 58 7.676 -2.323 0.483 473 HA VAL 58 HA VAL 58 7.459 -1.045 2.299 474 HB VAL 58 HB VAL 58 10.216 -2.160 3.015 475 HG11 VAL 58 1HG1 VAL 58 9.801 -1.787 5.311 476 HG12 VAL 58 2HG1 VAL 58 9.454 -0.222 4.564 477 HG13 VAL 58 3HG1 VAL 58 8.139 -1.331 5.050 478 HG21 VAL 58 1HG2 VAL 58 8.516 -3.914 2.610 479 HG22 VAL 58 2HG2 VAL 58 8.886 -3.803 4.337 480 HG23 VAL 58 3HG2 VAL 58 7.413 -3.037 3.713 481 H HIS 59 H HIS 59 10.890 -0.399 1.391 482 HA HIS 59 HA HIS 59 10.746 2.454 2.014 483 HB2 HIS 59 2HB HIS 59 12.541 2.475 0.052 484 HB3 HIS 59 3HB HIS 59 12.881 2.017 1.671 485 HD1 HIS 59 HD1 HIS 59 14.429 0.047 1.828 486 HD2 HIS 59 HD2 HIS 59 12.027 0.046 -1.631 487 HE1 HIS 59 HE1 HIS 59 15.183 -1.960 0.417 488 H THR 60 H THR 60 10.158 0.446 -0.794 489 HA THR 60 HA THR 60 10.056 2.281 -2.873 490 HB THR 60 HB THR 60 8.039 0.056 -2.409 491 HG1 THR 60 HG1 THR 60 10.498 -0.244 -3.734 492 HG21 THR 60 1HG2 THR 60 9.187 1.424 -4.814 493 HG22 THR 60 2HG2 THR 60 7.492 1.357 -4.274 494 HG23 THR 60 3HG2 THR 60 8.237 -0.125 -4.920 495 H LEU 61 H LEU 61 7.385 1.565 -0.643 496 HA LEU 61 HA LEU 61 5.446 3.245 -1.865 497 HB2 LEU 61 2HB LEU 61 5.795 2.316 0.955 498 HB3 LEU 61 3HB LEU 61 4.270 2.824 0.261 499 HG LEU 61 HG LEU 61 5.876 0.313 -0.609 500 HD11 LEU 61 1HD1 LEU 61 5.078 -0.101 1.451 501 HD12 LEU 61 2HD1 LEU 61 3.814 -0.786 0.393 502 HD13 LEU 61 3HD1 LEU 61 3.516 0.746 1.240 503 HD21 LEU 61 1HD2 LEU 61 3.663 -0.069 -1.866 504 HD22 LEU 61 2HD2 LEU 61 4.747 1.182 -2.531 505 HD23 LEU 61 3HD2 LEU 61 3.340 1.661 -1.612 506 H LEU 62 H LEU 62 7.787 3.954 0.763 507 HA LEU 62 HA LEU 62 6.741 6.705 1.020 508 HB2 LEU 62 2HB LEU 62 7.993 6.854 2.963 509 HB3 LEU 62 3HB LEU 62 7.440 5.213 2.932 510 HG LEU 62 HG LEU 62 9.930 4.967 1.726 511 HD11 LEU 62 1HD1 LEU 62 10.236 7.115 3.825 512 HD12 LEU 62 2HD1 LEU 62 10.585 7.263 2.077 513 HD13 LEU 62 3HD1 LEU 62 11.548 6.175 3.072 514 HD21 LEU 62 1HD2 LEU 62 10.636 4.008 3.837 515 HD22 LEU 62 2HD2 LEU 62 8.978 3.547 3.375 516 HD23 LEU 62 3HD2 LEU 62 9.248 4.774 4.650 517 H ASP 63 H ASP 63 9.289 5.021 -0.592 518 HA ASP 63 HA ASP 63 11.049 7.354 -0.807 519 HB2 ASP 63 2HB ASP 63 11.848 5.469 0.411 520 HB3 ASP 63 3HB ASP 63 11.590 4.390 -1.000 521 H GLU 64 H GLU 64 12.630 7.170 -2.503 522 HA GLU 64 HA GLU 64 11.382 7.320 -5.222 523 HB2 GLU 64 2HB GLU 64 12.620 9.512 -5.313 524 HB3 GLU 64 3HB GLU 64 11.352 9.428 -4.089 525 HG2 GLU 64 2HG GLU 64 13.016 9.045 -2.302 526 HG3 GLU 64 3HG GLU 64 14.314 8.982 -3.508 527 H LYS 65 H LYS 65 13.596 5.563 -3.781 528 HA LYS 65 HA LYS 65 15.559 5.322 -6.003 529 HB2 LYS 65 2HB LYS 65 17.472 5.571 -4.398 530 HB3 LYS 65 3HB LYS 65 16.531 7.062 -4.585 531 HG2 LYS 65 2HG LYS 65 15.233 6.442 -2.594 532 HG3 LYS 65 3HG LYS 65 16.300 5.058 -2.303 533 HD2 LYS 65 2HD LYS 65 17.011 8.003 -2.132 534 HD3 LYS 65 3HD LYS 65 16.453 6.941 -0.806 535 HE2 LYS 65 2HE LYS 65 18.431 5.406 -1.384 536 HE3 LYS 65 3HE LYS 65 19.002 6.640 -2.514 537 HZ1 LYS 65 1HZ LYS 65 20.086 6.822 -0.359 538 HZ2 LYS 65 2HZ LYS 65 18.668 6.957 0.424 539 HZ3 LYS 65 3HZ LYS 65 19.169 8.166 -0.583 540 H HIS 66 H HIS 66 14.262 4.010 -2.936 541 HA HIS 66 HA HIS 66 13.784 1.997 -2.276 542 HB2 HIS 66 2HB HIS 66 12.767 0.469 -3.925 543 HB3 HIS 66 3HB HIS 66 12.233 2.130 -4.047 544 HD1 HIS 66 HD1 HIS 66 12.539 3.318 -6.384 545 HD2 HIS 66 HD2 HIS 66 14.579 -0.340 -5.971 546 HE1 HIS 66 HE1 HIS 66 13.424 2.728 -8.698 547 H GLU 67 H GLU 67 16.495 2.317 -2.141 548 HA GLU 67 HA GLU 67 17.442 -0.489 -2.449 549 HB2 GLU 67 2HB GLU 67 18.036 0.810 -4.474 550 HB3 GLU 67 3HB GLU 67 18.937 1.948 -3.470 551 HG2 GLU 67 2HG GLU 67 20.546 0.214 -2.869 552 HG3 GLU 67 3HG GLU 67 19.526 -1.019 -3.630 553 H THR 68 H THR 68 17.712 2.431 -0.656 554 HA THR 68 HA THR 68 19.447 1.064 1.369 555 HB THR 68 HB THR 68 20.747 3.099 1.677 556 HG1 THR 68 HG1 THR 68 19.285 4.651 1.070 557 HG21 THR 68 1HG2 THR 68 22.045 3.136 -0.342 558 HG22 THR 68 2HG2 THR 68 20.717 2.443 -1.293 559 HG23 THR 68 3HG2 THR 68 21.529 1.465 -0.047 560 H GLU 69 H GLU 69 16.488 2.310 1.075 561 HA GLU 69 HA GLU 69 16.410 3.769 3.681 562 HB2 GLU 69 2HB GLU 69 14.408 3.721 1.399 563 HB3 GLU 69 3HB GLU 69 14.237 4.666 2.867 564 HG2 GLU 69 2HG GLU 69 16.206 5.020 0.606 565 HG3 GLU 69 3HG GLU 69 15.008 6.158 1.219 Start of MODEL 2 1 H1 MET 1 1H MET 1 8.686 11.664 0.530 2 H2 MET 1 2H MET 1 9.130 10.090 0.372 3 H3 MET 1 3H MET 1 9.085 10.775 1.857 4 HA MET 1 HA MET 1 7.199 9.300 1.468 5 HB2 MET 1 2HB MET 1 6.299 12.202 1.651 6 HB3 MET 1 3HB MET 1 5.410 10.774 2.173 7 HG2 MET 1 2HG MET 1 7.938 11.936 3.378 8 HG3 MET 1 3HG MET 1 6.344 11.841 4.109 9 HE1 MET 1 1HE MET 1 9.255 11.005 5.330 10 HE2 MET 1 2HE MET 1 7.747 11.044 6.270 11 HE3 MET 1 3HE MET 1 8.774 9.595 6.293 12 H ILE 2 H ILE 2 5.506 8.633 0.151 13 HA ILE 2 HA ILE 2 4.983 10.157 -2.361 14 HB ILE 2 HB ILE 2 5.496 7.197 -2.431 15 HG12 ILE 2 2HG1 ILE 2 7.629 8.415 -2.145 16 HG13 ILE 2 3HG1 ILE 2 7.467 7.457 -3.600 17 HG21 ILE 2 1HG2 ILE 2 3.844 7.751 -4.045 18 HG22 ILE 2 2HG2 ILE 2 4.720 9.217 -4.539 19 HG23 ILE 2 3HG2 ILE 2 5.375 7.620 -4.920 20 HD11 ILE 2 1HD1 ILE 2 7.003 10.450 -3.550 21 HD12 ILE 2 2HD1 ILE 2 8.556 9.676 -3.955 22 HD13 ILE 2 3HD1 ILE 2 7.127 9.390 -4.969 23 H GLY 3 H GLY 3 3.851 7.143 -0.717 24 HA2 GLY 3 2HA GLY 3 1.757 6.531 0.071 25 HA3 GLY 3 3HA GLY 3 1.191 8.185 -0.135 26 H GLN 4 H GLN 4 1.277 8.679 -2.804 27 HA GLN 4 HA GLN 4 -0.783 7.130 -3.984 28 HB2 GLN 4 2HB GLN 4 -0.345 8.388 -5.926 29 HB3 GLN 4 3HB GLN 4 -0.176 9.475 -4.560 30 HG2 GLN 4 2HG GLN 4 2.255 9.434 -4.762 31 HG3 GLN 4 3HG GLN 4 2.188 8.157 -5.989 32 HE21 GLN 4 1HE2 GLN 4 3.613 9.955 -7.055 33 HE22 GLN 4 2HE2 GLN 4 2.717 11.108 -8.033 34 H ARG 5 H ARG 5 2.402 6.166 -3.370 35 HA ARG 5 HA ARG 5 2.798 4.295 -5.554 36 HB2 ARG 5 2HB ARG 5 4.173 4.981 -3.067 37 HB3 ARG 5 3HB ARG 5 3.668 3.374 -2.858 38 HG2 ARG 5 2HG ARG 5 5.761 3.053 -3.862 39 HG3 ARG 5 3HG ARG 5 4.664 2.901 -5.185 40 HD2 ARG 5 2HD ARG 5 4.967 5.502 -5.371 41 HD3 ARG 5 3HD ARG 5 6.445 5.235 -4.460 42 HE ARG 5 HE ARG 5 5.769 4.212 -7.185 43 HH11 ARG 5 1HH1 ARG 5 8.268 4.404 -4.696 44 HH12 ARG 5 2HH1 ARG 5 9.537 4.109 -5.852 45 HH21 ARG 5 1HH2 ARG 5 7.441 3.696 -8.537 46 HH22 ARG 5 2HH2 ARG 5 9.069 3.608 -7.943 47 H ILE 6 H ILE 6 1.166 4.004 -2.278 48 HA ILE 6 HA ILE 6 0.293 1.339 -2.750 49 HB ILE 6 HB ILE 6 -0.613 3.548 -0.895 50 HG12 ILE 6 2HG1 ILE 6 -0.837 1.862 0.748 51 HG13 ILE 6 3HG1 ILE 6 -0.706 0.566 -0.452 52 HG21 ILE 6 1HG2 ILE 6 -2.809 3.218 -1.906 53 HG22 ILE 6 2HG2 ILE 6 -2.634 1.460 -1.811 54 HG23 ILE 6 3HG2 ILE 6 -2.800 2.458 -0.334 55 HD11 ILE 6 1HD1 ILE 6 1.548 0.870 -0.716 56 HD12 ILE 6 2HD1 ILE 6 1.531 2.570 -0.150 57 HD13 ILE 6 3HD1 ILE 6 1.334 1.219 1.012 58 H LYS 7 H LYS 7 -1.222 4.524 -3.674 59 HA LYS 7 HA LYS 7 -3.475 3.343 -4.978 60 HB2 LYS 7 2HB LYS 7 -3.448 5.720 -4.560 61 HB3 LYS 7 3HB LYS 7 -2.020 5.968 -5.560 62 HG2 LYS 7 2HG LYS 7 -3.206 5.559 -7.584 63 HG3 LYS 7 3HG LYS 7 -4.560 4.838 -6.727 64 HD2 LYS 7 2HD LYS 7 -5.174 7.042 -7.539 65 HD3 LYS 7 3HD LYS 7 -5.142 7.065 -5.771 66 HE2 LYS 7 2HE LYS 7 -2.912 8.135 -5.803 67 HE3 LYS 7 3HE LYS 7 -2.866 8.029 -7.569 68 HZ1 LYS 7 1HZ LYS 7 -4.788 9.524 -7.645 69 HZ2 LYS 7 2HZ LYS 7 -3.568 10.235 -6.830 70 HZ3 LYS 7 3HZ LYS 7 -4.841 9.620 -6.014 71 H GLN 8 H GLN 8 -0.492 4.356 -6.543 72 HA GLN 8 HA GLN 8 -0.763 3.537 -9.164 73 HB2 GLN 8 2HB GLN 8 1.272 4.706 -8.072 74 HB3 GLN 8 3HB GLN 8 1.655 3.222 -7.258 75 HG2 GLN 8 2HG GLN 8 2.149 2.102 -9.399 76 HG3 GLN 8 3HG GLN 8 1.658 3.581 -10.220 77 HE21 GLN 8 1HE2 GLN 8 3.816 3.516 -11.242 78 HE22 GLN 8 2HE2 GLN 8 5.174 4.164 -10.338 79 H TYR 9 H TYR 9 0.613 1.522 -6.558 80 HA TYR 9 HA TYR 9 0.663 -0.869 -8.216 81 HB2 TYR 9 2HB TYR 9 0.950 -0.318 -5.306 82 HB3 TYR 9 3HB TYR 9 1.371 -1.830 -6.112 83 HD1 TYR 9 HD1 TYR 9 2.715 -0.539 -8.619 84 HD2 TYR 9 HD2 TYR 9 3.100 0.072 -4.346 85 HE1 TYR 9 HE1 TYR 9 5.053 0.202 -8.933 86 HE2 TYR 9 HE2 TYR 9 5.436 0.625 -4.654 87 HH TYR 9 HH TYR 9 7.015 0.741 -7.908 88 H ARG 10 H ARG 10 -1.579 0.237 -5.606 89 HA ARG 10 HA ARG 10 -3.054 -2.114 -5.508 90 HB2 ARG 10 2HB ARG 10 -3.611 -0.520 -3.929 91 HB3 ARG 10 3HB ARG 10 -3.722 0.800 -5.087 92 HG2 ARG 10 2HG ARG 10 -5.896 -0.279 -5.829 93 HG3 ARG 10 3HG ARG 10 -5.618 -1.340 -4.415 94 HD2 ARG 10 2HD ARG 10 -6.960 0.350 -3.597 95 HD3 ARG 10 3HD ARG 10 -5.373 0.718 -3.006 96 HE ARG 10 HE ARG 10 -5.733 2.768 -3.773 97 HH11 ARG 10 1HH1 ARG 10 -7.934 2.284 -7.041 98 HH12 ARG 10 2HH1 ARG 10 -7.278 0.845 -6.326 99 HH21 ARG 10 1HH2 ARG 10 -6.561 4.446 -4.732 100 HH22 ARG 10 2HH2 ARG 10 -7.502 4.275 -6.199 101 H LYS 11 H LYS 11 -3.682 0.758 -7.641 102 HA LYS 11 HA LYS 11 -5.806 -0.476 -9.038 103 HB2 LYS 11 2HB LYS 11 -5.295 0.981 -10.984 104 HB3 LYS 11 3HB LYS 11 -5.644 1.782 -9.437 105 HG2 LYS 11 2HG LYS 11 -3.512 2.656 -9.499 106 HG3 LYS 11 3HG LYS 11 -2.836 1.228 -10.046 107 HD2 LYS 11 2HD LYS 11 -2.457 2.626 -11.807 108 HD3 LYS 11 3HD LYS 11 -3.636 1.493 -12.342 109 HE2 LYS 11 2HE LYS 11 -5.460 3.164 -11.935 110 HE3 LYS 11 3HE LYS 11 -4.273 4.310 -11.306 111 HZ1 LYS 11 1HZ LYS 11 -4.336 3.280 -14.099 112 HZ2 LYS 11 2HZ LYS 11 -3.239 4.347 -13.520 113 HZ3 LYS 11 3HZ LYS 11 -4.810 4.770 -13.634 114 H GLU 12 H GLU 12 -2.282 -0.440 -9.728 115 HA GLU 12 HA GLU 12 -2.535 -1.675 -12.229 116 HB2 GLU 12 2HB GLU 12 -0.847 -0.168 -11.646 117 HB3 GLU 12 3HB GLU 12 -0.206 -1.218 -10.415 118 HG2 GLU 12 2HG GLU 12 -0.312 -1.889 -13.332 119 HG3 GLU 12 3HG GLU 12 1.029 -0.972 -12.622 120 H LYS 13 H LYS 13 -2.241 -3.014 -8.994 121 HA LYS 13 HA LYS 13 -1.912 -5.831 -9.667 122 HB2 LYS 13 2HB LYS 13 -2.783 -4.451 -7.106 123 HB3 LYS 13 3HB LYS 13 -2.582 -6.141 -7.294 124 HG2 LYS 13 2HG LYS 13 -0.222 -4.401 -7.921 125 HG3 LYS 13 3HG LYS 13 -0.655 -4.737 -6.275 126 HD2 LYS 13 2HD LYS 13 1.151 -6.175 -7.353 127 HD3 LYS 13 3HD LYS 13 -0.115 -6.978 -6.399 128 HE2 LYS 13 2HE LYS 13 -1.329 -7.566 -8.476 129 HE3 LYS 13 3HE LYS 13 -0.048 -6.814 -9.435 130 HZ1 LYS 13 1HZ LYS 13 1.502 -8.474 -8.476 131 HZ2 LYS 13 2HZ LYS 13 0.266 -9.220 -9.241 132 HZ3 LYS 13 3HZ LYS 13 0.290 -9.144 -7.610 133 H GLY 14 H GLY 14 -4.644 -3.743 -9.680 134 HA2 GLY 14 2HA GLY 14 -6.836 -4.454 -10.422 135 HA3 GLY 14 3HA GLY 14 -6.458 -6.134 -10.034 136 H TYR 15 H TYR 15 -5.688 -3.606 -7.827 137 HA TYR 15 HA TYR 15 -7.725 -4.565 -5.890 138 HB2 TYR 15 2HB TYR 15 -5.122 -3.059 -5.541 139 HB3 TYR 15 3HB TYR 15 -6.086 -3.641 -4.251 140 HD1 TYR 15 HD1 TYR 15 -6.406 -6.391 -6.162 141 HD2 TYR 15 HD2 TYR 15 -3.194 -4.058 -4.487 142 HE1 TYR 15 HE1 TYR 15 -4.914 -8.403 -6.175 143 HE2 TYR 15 HE2 TYR 15 -1.784 -6.125 -4.309 144 HH TYR 15 HH TYR 15 -1.634 -8.345 -4.723 145 H SER 16 H SER 16 -8.185 -3.028 -4.284 146 HA SER 16 HA SER 16 -8.827 -0.279 -4.962 147 HB2 SER 16 2HB SER 16 -11.102 -0.507 -4.120 148 HB3 SER 16 3HB SER 16 -10.938 -1.702 -5.460 149 HG SER 16 HG SER 16 -11.771 -2.911 -3.868 150 H LEU 17 H LEU 17 -9.883 0.594 -2.751 151 HA LEU 17 HA LEU 17 -7.626 0.382 -1.018 152 HB2 LEU 17 2HB LEU 17 -10.279 1.729 -0.343 153 HB3 LEU 17 3HB LEU 17 -8.768 1.890 0.382 154 HG LEU 17 HG LEU 17 -7.914 2.563 -2.058 155 HD11 LEU 17 1HD1 LEU 17 -10.893 3.074 -2.021 156 HD12 LEU 17 2HD1 LEU 17 -9.974 2.131 -3.220 157 HD13 LEU 17 3HD1 LEU 17 -9.759 3.880 -3.156 158 HD21 LEU 17 1HD2 LEU 17 -8.575 4.942 -1.467 159 HD22 LEU 17 2HD2 LEU 17 -7.719 3.989 -0.252 160 HD23 LEU 17 3HD2 LEU 17 -9.485 4.240 -0.087 161 H SER 18 H SER 18 -10.641 -1.238 -1.158 162 HA SER 18 HA SER 18 -10.449 -2.413 1.583 163 HB2 SER 18 2HB SER 18 -12.573 -1.610 1.123 164 HB3 SER 18 3HB SER 18 -12.538 -2.168 -0.541 165 HG SER 18 HG SER 18 -13.886 -3.468 0.850 166 H GLU 19 H GLU 19 -10.439 -3.500 -1.874 167 HA GLU 19 HA GLU 19 -9.832 -6.279 -1.462 168 HB2 GLU 19 3HB GLU 19 -9.075 -4.273 -3.561 169 HB3 GLU 19 2HB GLU 19 -8.367 -5.808 -3.633 170 HG2 GLU 19 2HG GLU 19 -10.434 -5.268 -5.021 171 HG3 GLU 19 3HG GLU 19 -10.283 -6.866 -4.275 172 H LEU 20 H LEU 20 -7.640 -3.461 -1.907 173 HA LEU 20 HA LEU 20 -5.303 -4.942 -1.644 174 HB2 LEU 20 2HB LEU 20 -5.726 -2.566 -2.564 175 HB3 LEU 20 3HB LEU 20 -5.687 -1.958 -0.985 176 HG LEU 20 HG LEU 20 -3.766 -2.522 -3.067 177 HD11 LEU 20 1HD1 LEU 20 -3.236 -1.412 -0.348 178 HD12 LEU 20 2HD1 LEU 20 -4.014 -0.511 -1.696 179 HD13 LEU 20 3HD1 LEU 20 -2.334 -1.100 -1.856 180 HD21 LEU 20 1HD2 LEU 20 -1.973 -3.575 -1.929 181 HD22 LEU 20 2HD2 LEU 20 -3.372 -4.628 -2.055 182 HD23 LEU 20 3HD2 LEU 20 -3.000 -3.840 -0.492 183 H ALA 21 H ALA 21 -7.144 -3.041 0.802 184 HA ALA 21 HA ALA 21 -5.532 -3.685 2.973 185 HB1 ALA 21 1HB ALA 21 -8.548 -3.388 3.013 186 HB2 ALA 21 2HB ALA 21 -7.429 -3.220 4.388 187 HB3 ALA 21 3HB ALA 21 -7.359 -2.070 3.036 188 H GLU 22 H GLU 22 -8.171 -5.743 1.732 189 HA GLU 22 HA GLU 22 -7.902 -7.668 3.920 190 HB2 GLU 22 2HB GLU 22 -9.284 -9.170 2.702 191 HB3 GLU 22 3HB GLU 22 -10.027 -7.557 2.692 192 HG2 GLU 22 2HG GLU 22 -9.883 -7.332 0.438 193 HG3 GLU 22 3HG GLU 22 -8.413 -8.278 0.403 194 H LYS 23 H LYS 23 -6.357 -7.268 0.805 195 HA LYS 23 HA LYS 23 -5.117 -9.928 0.735 196 HB2 LYS 23 2HB LYS 23 -4.642 -7.338 -0.793 197 HB3 LYS 23 3HB LYS 23 -3.833 -8.879 -1.173 198 HG2 LYS 23 2HG LYS 23 -5.941 -9.947 -1.687 199 HG3 LYS 23 3HG LYS 23 -6.832 -8.590 -1.108 200 HD2 LYS 23 2HD LYS 23 -5.602 -7.186 -3.039 201 HD3 LYS 23 3HD LYS 23 -5.362 -8.778 -3.736 202 HE2 LYS 23 2HE LYS 23 -8.044 -7.679 -2.844 203 HE3 LYS 23 3HE LYS 23 -7.480 -7.792 -4.514 204 HZ1 LYS 23 1HZ LYS 23 -8.100 -10.051 -2.685 205 HZ2 LYS 23 2HZ LYS 23 -7.401 -10.258 -4.159 206 HZ3 LYS 23 3HZ LYS 23 -8.911 -9.646 -4.030 207 H ALA 24 H ALA 24 -3.895 -6.602 1.211 208 HA ALA 24 HA ALA 24 -1.323 -6.979 2.032 209 HB1 ALA 24 1HB ALA 24 -3.543 -5.082 2.872 210 HB2 ALA 24 2HB ALA 24 -1.827 -4.785 3.322 211 HB3 ALA 24 3HB ALA 24 -2.342 -4.850 1.603 212 H GLY 25 H GLY 25 -4.316 -7.189 3.997 213 HA2 GLY 25 2HA GLY 25 -4.565 -8.266 6.113 214 HA3 GLY 25 3HA GLY 25 -2.814 -8.289 6.322 215 H VAL 26 H VAL 26 -4.920 -5.563 5.507 216 HA VAL 26 HA VAL 26 -3.961 -4.047 7.921 217 HB VAL 26 HB VAL 26 -3.424 -2.191 6.682 218 HG11 VAL 26 1HG1 VAL 26 -1.830 -3.770 7.223 219 HG12 VAL 26 2HG1 VAL 26 -2.064 -4.737 5.739 220 HG13 VAL 26 3HG1 VAL 26 -1.398 -3.093 5.578 221 HG21 VAL 26 1HG2 VAL 26 -4.934 -2.383 4.895 222 HG22 VAL 26 2HG2 VAL 26 -3.262 -2.268 4.285 223 HG23 VAL 26 3HG2 VAL 26 -4.059 -3.882 4.368 224 H ALA 27 H ALA 27 -5.153 -1.857 7.656 225 HA ALA 27 HA ALA 27 -8.100 -2.417 7.746 226 HB1 ALA 27 1HB ALA 27 -8.180 -0.232 8.880 227 HB2 ALA 27 2HB ALA 27 -6.946 -1.294 9.620 228 HB3 ALA 27 3HB ALA 27 -6.445 0.016 8.540 229 H LYS 28 H LYS 28 -9.561 -1.533 6.066 230 HA LYS 28 HA LYS 28 -8.385 -0.357 3.698 231 HB2 LYS 28 2HB LYS 28 -10.723 -1.175 3.613 232 HB3 LYS 28 3HB LYS 28 -11.233 0.104 4.736 233 HG2 LYS 28 2HG LYS 28 -9.775 0.957 2.228 234 HG3 LYS 28 3HG LYS 28 -11.389 0.397 2.090 235 HD2 LYS 28 2HD LYS 28 -12.163 2.060 3.776 236 HD3 LYS 28 3HD LYS 28 -10.575 2.810 3.464 237 HE2 LYS 28 2HE LYS 28 -11.001 3.188 1.194 238 HE3 LYS 28 3HE LYS 28 -12.397 2.122 1.172 239 HZ1 LYS 28 1HZ LYS 28 -12.273 4.694 2.675 240 HZ2 LYS 28 2HZ LYS 28 -13.575 3.715 2.586 241 HZ3 LYS 28 3HZ LYS 28 -13.050 4.481 1.250 242 H SER 29 H SER 29 -9.651 1.073 6.658 243 HA SER 29 HA SER 29 -9.563 3.692 5.814 244 HB2 SER 29 2HB SER 29 -10.627 2.979 7.915 245 HB3 SER 29 3HB SER 29 -9.044 2.574 8.594 246 HG SER 29 HG SER 29 -10.085 5.148 7.965 247 H TYR 30 H TYR 30 -6.878 1.577 6.678 248 HA TYR 30 HA TYR 30 -4.807 3.622 6.778 249 HB2 TYR 30 2HB TYR 30 -4.773 0.607 6.598 250 HB3 TYR 30 3HB TYR 30 -3.706 1.347 5.517 251 HD1 TYR 30 HD1 TYR 30 -2.129 3.096 6.152 252 HD2 TYR 30 HD2 TYR 30 -3.968 0.469 9.006 253 HE1 TYR 30 HE1 TYR 30 -0.172 3.371 7.581 254 HE2 TYR 30 HE2 TYR 30 -2.046 0.839 10.563 255 HH TYR 30 HH TYR 30 -0.088 1.968 10.923 256 H LEU 31 H LEU 31 -5.899 1.431 4.092 257 HA LEU 31 HA LEU 31 -4.105 2.727 2.381 258 HB2 LEU 31 3HB LEU 31 -6.597 1.125 1.700 259 HB3 LEU 31 2HB LEU 31 -5.433 1.689 0.491 260 HG LEU 31 HG LEU 31 -4.983 -0.581 0.914 261 HD11 LEU 31 1HD1 LEU 31 -2.822 0.545 0.816 262 HD12 LEU 31 2HD1 LEU 31 -2.743 -0.717 2.078 263 HD13 LEU 31 3HD1 LEU 31 -2.931 0.973 2.542 264 HD21 LEU 31 1HD2 LEU 31 -4.488 -0.191 3.853 265 HD22 LEU 31 2HD2 LEU 31 -4.885 -1.640 2.865 266 HD23 LEU 31 3HD2 LEU 31 -6.138 -0.463 3.220 267 H SER 32 H SER 32 -7.601 3.424 2.918 268 HA SER 32 HA SER 32 -7.762 5.572 1.025 269 HB2 SER 32 2HB SER 32 -9.649 6.410 2.245 270 HB3 SER 32 3HB SER 32 -9.735 4.662 2.025 271 HG SER 32 HG SER 32 -9.255 6.138 4.384 272 H SER 33 H SER 33 -6.655 5.664 4.502 273 HA SER 33 HA SER 33 -6.213 8.522 4.236 274 HB2 SER 33 2HB SER 33 -6.864 7.450 6.331 275 HB3 SER 33 3HB SER 33 -5.288 6.664 6.430 276 HG SER 33 HG SER 33 -5.521 8.722 7.583 277 H ILE 34 H ILE 34 -3.872 5.706 3.976 278 HA ILE 34 HA ILE 34 -1.529 7.059 3.512 279 HB ILE 34 HB ILE 34 -2.723 4.619 2.108 280 HG12 ILE 34 2HG1 ILE 34 -2.211 4.186 4.449 281 HG13 ILE 34 3HG1 ILE 34 -1.202 3.245 3.419 282 HG21 ILE 34 1HG2 ILE 34 -0.202 4.237 1.434 283 HG22 ILE 34 2HG2 ILE 34 -1.240 5.275 0.472 284 HG23 ILE 34 3HG2 ILE 34 -0.128 6.017 1.651 285 HD11 ILE 34 1HD1 ILE 34 0.721 4.658 3.775 286 HD12 ILE 34 2HD1 ILE 34 -0.273 5.793 4.690 287 HD13 ILE 34 3HD1 ILE 34 0.059 4.180 5.348 288 H GLU 35 H GLU 35 -3.983 6.280 1.079 289 HA GLU 35 HA GLU 35 -2.890 7.897 -1.011 290 HB2 GLU 35 2HB GLU 35 -5.729 6.902 -0.565 291 HB3 GLU 35 3HB GLU 35 -5.168 7.714 -2.038 292 HG2 GLU 35 2HG GLU 35 -3.419 5.994 -2.340 293 HG3 GLU 35 3HG GLU 35 -3.941 5.158 -0.895 294 H ARG 36 H ARG 36 -5.101 8.899 1.620 295 HA ARG 36 HA ARG 36 -5.236 11.662 0.657 296 HB2 ARG 36 2HB ARG 36 -5.758 10.512 3.427 297 HB3 ARG 36 3HB ARG 36 -6.023 12.188 2.966 298 HG2 ARG 36 2HG ARG 36 -7.417 9.957 1.464 299 HG3 ARG 36 3HG ARG 36 -8.055 10.598 2.986 300 HD2 ARG 36 2HD ARG 36 -8.178 12.850 2.060 301 HD3 ARG 36 3HD ARG 36 -7.312 12.332 0.624 302 HE ARG 36 HE ARG 36 -9.249 11.359 -0.250 303 HH11 ARG 36 1HH1 ARG 36 -9.972 12.367 3.033 304 HH12 ARG 36 2HH1 ARG 36 -11.686 12.143 2.814 305 HH21 ARG 36 1HH2 ARG 36 -11.440 11.103 -0.453 306 HH22 ARG 36 2HH2 ARG 36 -12.486 11.445 0.893 307 H ASN 37 H ASN 37 -3.589 10.618 3.652 308 HA ASN 37 HA ASN 37 -1.221 12.248 3.126 309 HB2 ASN 37 2HB ASN 37 -3.213 13.831 3.704 310 HB3 ASN 37 3HB ASN 37 -3.108 13.183 5.337 311 HD21 ASN 37 1HD2 ASN 37 -0.897 14.511 2.783 312 HD22 ASN 37 2HD2 ASN 37 -0.015 15.530 3.911 313 H LEU 38 H LEU 38 -2.146 9.477 4.410 314 HA LEU 38 HA LEU 38 -1.046 9.560 7.107 315 HB2 LEU 38 2HB LEU 38 -2.933 8.034 5.938 316 HB3 LEU 38 3HB LEU 38 -1.597 7.007 5.652 317 HG LEU 38 HG LEU 38 -3.112 7.643 8.119 318 HD11 LEU 38 1HD1 LEU 38 -3.045 5.216 8.333 319 HD12 LEU 38 2HD1 LEU 38 -1.849 5.149 7.016 320 HD13 LEU 38 3HD1 LEU 38 -3.499 5.645 6.672 321 HD21 LEU 38 1HD2 LEU 38 -0.332 6.456 8.226 322 HD22 LEU 38 2HD2 LEU 38 -1.486 6.532 9.567 323 HD23 LEU 38 3HD2 LEU 38 -0.784 8.034 8.926 324 H GLN 39 H GLN 39 0.119 8.423 3.926 325 HA GLN 39 HA GLN 39 2.420 7.099 4.969 326 HB2 GLN 39 2HB GLN 39 1.359 6.810 2.748 327 HB3 GLN 39 3HB GLN 39 2.182 8.247 2.175 328 HG2 GLN 39 2HG GLN 39 3.414 5.665 3.280 329 HG3 GLN 39 3HG GLN 39 3.378 6.135 1.589 330 HE21 GLN 39 1HE2 GLN 39 5.316 6.140 4.345 331 HE22 GLN 39 2HE2 GLN 39 6.417 7.425 3.838 332 H THR 40 H THR 40 3.076 8.473 6.548 333 HA THR 40 HA THR 40 5.059 10.569 5.802 334 HB THR 40 HB THR 40 4.412 11.807 7.757 335 HG1 THR 40 HG1 THR 40 3.887 10.185 9.168 336 HG21 THR 40 1HG2 THR 40 1.793 10.947 6.408 337 HG22 THR 40 2HG2 THR 40 2.937 12.127 5.737 338 HG23 THR 40 3HG2 THR 40 2.115 12.455 7.273 339 H ASN 41 H ASN 41 5.586 7.860 5.901 340 HA ASN 41 HA ASN 41 6.448 6.020 6.843 341 HB2 ASN 41 2HB ASN 41 8.500 7.367 6.831 342 HB3 ASN 41 3HB ASN 41 8.152 7.915 8.476 343 HD21 ASN 41 1HD2 ASN 41 10.169 6.955 9.194 344 HD22 ASN 41 2HD2 ASN 41 10.289 5.209 9.367 345 HA PRO 42 HA PRO 42 3.611 6.492 10.492 346 HB2 PRO 42 2HB PRO 42 1.444 5.079 9.688 347 HB3 PRO 42 3HB PRO 42 1.786 6.741 9.113 348 HG2 PRO 42 2HG PRO 42 2.366 4.121 7.685 349 HG3 PRO 42 3HG PRO 42 1.596 5.588 7.024 350 HD2 PRO 42 2HD PRO 42 4.284 5.037 6.735 351 HD3 PRO 42 3HD PRO 42 3.630 6.695 6.830 352 H SER 43 H SER 43 3.924 3.420 8.631 353 HA SER 43 HA SER 43 4.932 1.985 11.053 354 HB2 SER 43 2HB SER 43 2.541 1.737 11.250 355 HB3 SER 43 3HB SER 43 2.447 1.355 9.518 356 HG SER 43 HG SER 43 3.649 -0.207 11.593 357 H ILE 44 H ILE 44 6.725 1.031 10.406 358 HA ILE 44 HA ILE 44 7.307 0.227 7.697 359 HB ILE 44 HB ILE 44 8.548 -0.686 10.324 360 HG12 ILE 44 2HG1 ILE 44 10.515 0.705 9.343 361 HG13 ILE 44 3HG1 ILE 44 9.331 1.443 8.270 362 HG21 ILE 44 1HG2 ILE 44 9.444 -1.159 7.443 363 HG22 ILE 44 2HG2 ILE 44 10.426 -1.501 8.886 364 HG23 ILE 44 3HG2 ILE 44 8.941 -2.398 8.615 365 HD11 ILE 44 1HD1 ILE 44 9.173 1.478 11.326 366 HD12 ILE 44 2HD1 ILE 44 9.928 2.748 10.346 367 HD13 ILE 44 3HD1 ILE 44 8.197 2.453 10.196 368 H GLN 45 H GLN 45 5.765 -1.398 10.462 369 HA GLN 45 HA GLN 45 5.769 -4.051 9.494 370 HB2 GLN 45 2HB GLN 45 3.733 -2.725 11.333 371 HB3 GLN 45 3HB GLN 45 3.975 -4.446 11.087 372 HG2 GLN 45 2HG GLN 45 5.107 -4.069 13.063 373 HG3 GLN 45 3HG GLN 45 6.404 -4.100 11.881 374 HE21 GLN 45 1HE2 GLN 45 7.276 -3.027 14.089 375 HE22 GLN 45 2HE2 GLN 45 7.226 -1.268 14.067 376 H PHE 46 H PHE 46 3.212 -1.605 9.261 377 HA PHE 46 HA PHE 46 1.297 -3.002 7.528 378 HB2 PHE 46 2HB PHE 46 0.504 -1.041 8.669 379 HB3 PHE 46 3HB PHE 46 1.945 -0.132 8.241 380 HD1 PHE 46 HD1 PHE 46 2.304 0.886 6.058 381 HD2 PHE 46 HD2 PHE 46 -1.336 -1.181 7.032 382 HE1 PHE 46 HE1 PHE 46 1.387 1.511 3.830 383 HE2 PHE 46 HE2 PHE 46 -2.331 -0.461 4.886 384 HZ PHE 46 HZ PHE 46 -0.971 0.961 3.311 385 H LEU 47 H LEU 47 4.140 -0.986 6.928 386 HA LEU 47 HA LEU 47 3.663 -0.895 4.048 387 HB2 LEU 47 2HB LEU 47 6.147 -0.407 5.764 388 HB3 LEU 47 3HB LEU 47 6.240 -0.361 4.024 389 HG LEU 47 HG LEU 47 4.349 1.483 5.537 390 HD11 LEU 47 1HD1 LEU 47 6.042 3.191 5.668 391 HD12 LEU 47 2HD1 LEU 47 7.252 2.129 4.908 392 HD13 LEU 47 3HD1 LEU 47 6.599 1.779 6.546 393 HD21 LEU 47 1HD2 LEU 47 4.083 1.569 3.157 394 HD22 LEU 47 2HD2 LEU 47 5.856 1.673 2.909 395 HD23 LEU 47 3HD2 LEU 47 4.964 3.033 3.613 396 H GLU 48 H GLU 48 5.586 -3.097 6.147 397 HA GLU 48 HA GLU 48 6.497 -4.799 4.114 398 HB2 GLU 48 2HB GLU 48 5.441 -6.124 6.599 399 HB3 GLU 48 3HB GLU 48 6.822 -6.509 5.591 400 HG2 GLU 48 2HG GLU 48 7.818 -4.265 6.562 401 HG3 GLU 48 3HG GLU 48 6.543 -4.453 7.741 402 H LYS 49 H LYS 49 3.423 -4.968 5.940 403 HA LYS 49 HA LYS 49 2.161 -7.161 4.766 404 HB2 LYS 49 2HB LYS 49 0.919 -4.511 5.661 405 HB3 LYS 49 3HB LYS 49 0.022 -5.889 5.449 406 HG2 LYS 49 2HG LYS 49 2.112 -6.717 7.210 407 HG3 LYS 49 3HG LYS 49 1.767 -5.036 7.617 408 HD2 LYS 49 2HD LYS 49 0.421 -6.305 9.074 409 HD3 LYS 49 3HD LYS 49 -0.663 -5.637 7.856 410 HE2 LYS 49 2HE LYS 49 -1.301 -7.912 8.302 411 HE3 LYS 49 3HE LYS 49 -0.664 -7.829 6.662 412 HZ1 LYS 49 1HZ LYS 49 0.194 -9.753 7.894 413 HZ2 LYS 49 2HZ LYS 49 0.846 -8.796 9.041 414 HZ3 LYS 49 3HZ LYS 49 1.432 -8.765 7.512 415 H VAL 50 H VAL 50 1.557 -3.833 3.681 416 HA VAL 50 HA VAL 50 0.138 -4.889 1.248 417 HB VAL 50 HB VAL 50 -1.047 -3.151 2.135 418 HG11 VAL 50 1HG1 VAL 50 0.113 -0.912 2.459 419 HG12 VAL 50 2HG1 VAL 50 0.164 -2.236 3.659 420 HG13 VAL 50 3HG1 VAL 50 1.598 -1.919 2.606 421 HG21 VAL 50 1HG2 VAL 50 0.507 -1.715 0.021 422 HG22 VAL 50 2HG2 VAL 50 -0.676 -3.029 -0.304 423 HG23 VAL 50 3HG2 VAL 50 -1.175 -1.504 0.485 424 H SER 51 H SER 51 3.314 -3.291 1.834 425 HA SER 51 HA SER 51 3.923 -2.994 -1.011 426 HB2 SER 51 2HB SER 51 6.207 -2.917 -0.469 427 HB3 SER 51 3HB SER 51 5.400 -2.064 0.825 428 HG SER 51 HG SER 51 5.711 -3.736 2.141 429 H ALA 52 H ALA 52 4.267 -5.650 1.291 430 HA ALA 52 HA ALA 52 5.467 -7.577 -0.481 431 HB1 ALA 52 1HB ALA 52 4.438 -9.270 1.102 432 HB2 ALA 52 2HB ALA 52 5.381 -7.998 1.904 433 HB3 ALA 52 3HB ALA 52 3.608 -7.917 1.913 434 H VAL 53 H VAL 53 2.038 -6.871 0.254 435 HA VAL 53 HA VAL 53 1.029 -8.667 -1.747 436 HB VAL 53 HB VAL 53 0.044 -7.212 0.388 437 HG11 VAL 53 1HG1 VAL 53 -1.990 -6.108 -0.296 438 HG12 VAL 53 2HG1 VAL 53 -0.611 -5.227 -0.914 439 HG13 VAL 53 3HG1 VAL 53 -1.590 -6.277 -1.998 440 HG21 VAL 53 1HG2 VAL 53 -1.749 -8.468 0.176 441 HG22 VAL 53 2HG2 VAL 53 -1.660 -8.617 -1.634 442 HG23 VAL 53 3HG2 VAL 53 -0.525 -9.484 -0.539 443 H LEU 54 H LEU 54 1.946 -5.298 -2.044 444 HA LEU 54 HA LEU 54 0.884 -5.006 -4.725 445 HB2 LEU 54 2HB LEU 54 2.690 -3.239 -2.986 446 HB3 LEU 54 3HB LEU 54 2.189 -2.815 -4.562 447 HG LEU 54 HG LEU 54 0.332 -3.402 -2.278 448 HD11 LEU 54 1HD1 LEU 54 -0.050 -0.932 -2.287 449 HD12 LEU 54 2HD1 LEU 54 1.334 -0.789 -3.397 450 HD13 LEU 54 3HD1 LEU 54 1.582 -1.466 -1.828 451 HD21 LEU 54 1HD2 LEU 54 -0.315 -2.654 -5.157 452 HD22 LEU 54 2HD2 LEU 54 -1.452 -2.165 -3.907 453 HD23 LEU 54 3HD2 LEU 54 -1.084 -3.855 -4.163 454 H ASP 55 H ASP 55 3.401 -6.877 -3.888 455 HA ASP 55 HA ASP 55 5.185 -7.750 -4.961 456 HB2 ASP 55 2HB ASP 55 4.130 -6.293 -7.387 457 HB3 ASP 55 3HB ASP 55 5.578 -7.213 -7.429 458 H VAL 56 H VAL 56 5.389 -5.515 -3.389 459 HA VAL 56 HA VAL 56 7.586 -3.820 -4.497 460 HB VAL 56 HB VAL 56 4.749 -3.460 -3.661 461 HG11 VAL 56 1HG1 VAL 56 4.691 -1.252 -3.369 462 HG12 VAL 56 2HG1 VAL 56 5.787 -1.834 -2.141 463 HG13 VAL 56 3HG1 VAL 56 6.469 -1.041 -3.574 464 HG21 VAL 56 1HG2 VAL 56 6.455 -2.145 -5.758 465 HG22 VAL 56 2HG2 VAL 56 5.599 -3.698 -6.000 466 HG23 VAL 56 3HG2 VAL 56 4.659 -2.255 -5.674 467 H SER 57 H SER 57 8.507 -2.281 -2.681 468 HA SER 57 HA SER 57 9.179 -4.159 -0.485 469 HB2 SER 57 2HB SER 57 11.152 -2.556 -2.120 470 HB3 SER 57 3HB SER 57 11.505 -3.877 -1.005 471 HG SER 57 HG SER 57 11.555 -4.576 -3.185 472 H VAL 58 H VAL 58 7.640 -2.265 0.495 473 HA VAL 58 HA VAL 58 7.426 -0.952 2.294 474 HB VAL 58 HB VAL 58 10.186 -2.058 3.017 475 HG11 VAL 58 1HG1 VAL 58 8.077 -1.211 5.017 476 HG12 VAL 58 2HG1 VAL 58 9.734 -1.678 5.313 477 HG13 VAL 58 3HG1 VAL 58 9.408 -0.116 4.546 478 HG21 VAL 58 1HG2 VAL 58 7.380 -2.924 3.687 479 HG22 VAL 58 2HG2 VAL 58 8.498 -3.823 2.614 480 HG23 VAL 58 3HG2 VAL 58 8.839 -3.692 4.347 481 H HIS 59 H HIS 59 10.868 -0.343 1.397 482 HA HIS 59 HA HIS 59 10.739 2.520 1.978 483 HB2 HIS 59 2HB HIS 59 12.565 2.523 0.074 484 HB3 HIS 59 3HB HIS 59 12.869 2.019 1.689 485 HD1 HIS 59 HD1 HIS 59 14.486 0.107 1.750 486 HD2 HIS 59 HD2 HIS 59 11.977 0.080 -1.632 487 HE1 HIS 59 HE1 HIS 59 15.228 -1.880 0.308 488 H THR 60 H THR 60 10.141 0.479 -0.803 489 HA THR 60 HA THR 60 10.025 2.297 -2.893 490 HB THR 60 HB THR 60 7.992 0.091 -2.400 491 HG1 THR 60 HG1 THR 60 10.449 -0.241 -3.727 492 HG21 THR 60 1HG2 THR 60 8.193 -0.104 -4.914 493 HG22 THR 60 2HG2 THR 60 9.150 1.435 -4.819 494 HG23 THR 60 3HG2 THR 60 7.457 1.387 -4.272 495 H LEU 61 H LEU 61 7.357 1.596 -0.637 496 HA LEU 61 HA LEU 61 5.424 3.310 -1.840 497 HB2 LEU 61 2HB LEU 61 5.754 2.378 0.974 498 HB3 LEU 61 3HB LEU 61 4.240 2.888 0.261 499 HG LEU 61 HG LEU 61 5.835 0.366 -0.589 500 HD11 LEU 61 1HD1 LEU 61 3.466 0.804 1.251 501 HD12 LEU 61 2HD1 LEU 61 5.032 -0.029 1.475 502 HD13 LEU 61 3HD1 LEU 61 3.778 -0.729 0.413 503 HD21 LEU 61 1HD2 LEU 61 3.308 1.717 -1.609 504 HD22 LEU 61 2HD2 LEU 61 3.637 -0.013 -1.866 505 HD23 LEU 61 3HD2 LEU 61 4.721 1.244 -2.519 506 H LEU 62 H LEU 62 7.769 3.957 0.824 507 HA LEU 62 HA LEU 62 6.857 6.745 0.978 508 HB2 LEU 62 2HB LEU 62 8.101 6.909 2.926 509 HB3 LEU 62 3HB LEU 62 7.502 5.277 2.929 510 HG LEU 62 HG LEU 62 9.986 4.938 1.738 511 HD11 LEU 62 1HD1 LEU 62 10.343 7.124 3.794 512 HD12 LEU 62 2HD1 LEU 62 10.722 7.214 2.047 513 HD13 LEU 62 3HD1 LEU 62 11.633 6.121 3.083 514 HD21 LEU 62 1HD2 LEU 62 9.277 4.829 4.667 515 HD22 LEU 62 2HD2 LEU 62 10.654 4.011 3.887 516 HD23 LEU 62 3HD2 LEU 62 8.991 3.579 3.418 517 H ASP 63 H ASP 63 9.305 5.037 -0.699 518 HA ASP 63 HA ASP 63 11.125 7.342 -0.868 519 HB2 ASP 63 2HB ASP 63 11.872 5.469 0.377 520 HB3 ASP 63 3HB ASP 63 11.638 4.379 -1.028 521 H GLU 64 H GLU 64 12.722 7.126 -2.542 522 HA GLU 64 HA GLU 64 11.538 7.246 -5.289 523 HB2 GLU 64 2HB GLU 64 12.820 9.410 -5.392 524 HB3 GLU 64 3HB GLU 64 11.525 9.380 -4.195 525 HG2 GLU 64 2HG GLU 64 13.140 9.000 -2.365 526 HG3 GLU 64 3HG GLU 64 14.462 8.870 -3.539 527 H LYS 65 H LYS 65 13.806 5.615 -3.668 528 HA LYS 65 HA LYS 65 15.768 5.272 -5.896 529 HB2 LYS 65 2HB LYS 65 17.640 5.438 -4.228 530 HB3 LYS 65 3HB LYS 65 16.755 6.963 -4.442 531 HG2 LYS 65 2HG LYS 65 15.382 6.372 -2.501 532 HG3 LYS 65 3HG LYS 65 16.398 4.966 -2.161 533 HD2 LYS 65 2HD LYS 65 17.266 7.877 -2.039 534 HD3 LYS 65 3HD LYS 65 16.473 6.971 -0.718 535 HE2 LYS 65 2HE LYS 65 18.325 5.242 -0.913 536 HE3 LYS 65 3HE LYS 65 19.147 6.294 -2.070 537 HZ1 LYS 65 1HZ LYS 65 19.985 6.605 0.187 538 HZ2 LYS 65 2HZ LYS 65 18.502 6.967 0.761 539 HZ3 LYS 65 3HZ LYS 65 19.249 7.991 -0.289 540 H HIS 66 H HIS 66 14.337 3.972 -2.898 541 HA HIS 66 HA HIS 66 13.738 1.962 -2.302 542 HB2 HIS 66 2HB HIS 66 12.663 0.565 -4.044 543 HB3 HIS 66 3HB HIS 66 12.204 2.256 -4.048 544 HD1 HIS 66 HD1 HIS 66 12.577 3.597 -6.291 545 HD2 HIS 66 HD2 HIS 66 14.432 -0.179 -6.148 546 HE1 HIS 66 HE1 HIS 66 13.439 3.134 -8.643 547 H GLU 67 H GLU 67 16.378 2.043 -2.004 548 HA GLU 67 HA GLU 67 17.124 -0.794 -2.348 549 HB2 GLU 67 2HB GLU 67 17.903 0.434 -4.387 550 HB3 GLU 67 3HB GLU 67 18.907 1.448 -3.352 551 HG2 GLU 67 2HG GLU 67 20.224 -0.525 -2.672 552 HG3 GLU 67 3HG GLU 67 19.103 -1.570 -3.562 553 H THR 68 H THR 68 17.838 2.218 -0.811 554 HA THR 68 HA THR 68 19.280 0.803 1.400 555 HB THR 68 HB THR 68 20.822 2.713 1.541 556 HG1 THR 68 HG1 THR 68 20.860 4.137 -0.249 557 HG21 THR 68 1HG2 THR 68 22.180 2.233 -0.387 558 HG22 THR 68 2HG2 THR 68 20.791 1.596 -1.290 559 HG23 THR 68 3HG2 THR 68 21.409 0.725 0.133 560 H GLU 69 H GLU 69 16.513 2.383 0.971 561 HA GLU 69 HA GLU 69 16.505 3.824 3.586 562 HB2 GLU 69 2HB GLU 69 14.479 3.705 1.325 563 HB3 GLU 69 3HB GLU 69 14.164 4.519 2.847 564 HG2 GLU 69 2HG GLU 69 16.234 5.223 0.758 565 HG3 GLU 69 3HG GLU 69 14.829 6.162 1.266 Start of MODEL 3 1 H1 MET 1 1H MET 1 8.345 10.428 2.665 2 H2 MET 1 2H MET 1 8.681 10.933 1.142 3 H3 MET 1 3H MET 1 8.051 9.443 1.384 4 HA MET 1 HA MET 1 5.990 10.411 2.234 5 HB2 MET 1 2HB MET 1 7.018 12.480 3.092 6 HB3 MET 1 3HB MET 1 7.307 13.038 1.442 7 HG2 MET 1 2HG MET 1 4.797 12.925 1.062 8 HG3 MET 1 3HG MET 1 4.611 12.581 2.778 9 HE1 MET 1 1HE MET 1 6.779 14.554 4.180 10 HE2 MET 1 2HE MET 1 5.731 15.960 4.453 11 HE3 MET 1 3HE MET 1 5.097 14.323 4.718 12 H ILE 2 H ILE 2 5.355 9.011 0.605 13 HA ILE 2 HA ILE 2 4.895 10.256 -2.085 14 HB ILE 2 HB ILE 2 6.024 7.516 -1.690 15 HG12 ILE 2 2HG1 ILE 2 7.711 9.318 -1.638 16 HG13 ILE 2 3HG1 ILE 2 7.897 8.132 -2.912 17 HG21 ILE 2 1HG2 ILE 2 4.348 7.312 -3.402 18 HG22 ILE 2 2HG2 ILE 2 4.858 8.844 -4.150 19 HG23 ILE 2 3HG2 ILE 2 5.921 7.435 -4.204 20 HD11 ILE 2 1HD1 ILE 2 7.043 9.670 -4.567 21 HD12 ILE 2 2HD1 ILE 2 6.644 10.864 -3.312 22 HD13 ILE 2 3HD1 ILE 2 8.342 10.453 -3.648 23 H GLY 3 H GLY 3 3.950 7.094 -0.628 24 HA2 GLY 3 2HA GLY 3 1.885 6.307 0.051 25 HA3 GLY 3 3HA GLY 3 1.248 7.949 0.013 26 H GLN 4 H GLN 4 1.460 8.616 -2.701 27 HA GLN 4 HA GLN 4 -0.620 7.250 -4.028 28 HB2 GLN 4 2HB GLN 4 0.071 8.503 -5.935 29 HB3 GLN 4 3HB GLN 4 0.178 9.538 -4.522 30 HG2 GLN 4 2HG GLN 4 2.620 9.294 -4.483 31 HG3 GLN 4 3HG GLN 4 2.568 8.121 -5.806 32 HE21 GLN 4 1HE2 GLN 4 4.219 9.868 -6.598 33 HE22 GLN 4 2HE2 GLN 4 3.509 11.162 -7.550 34 H ARG 5 H ARG 5 2.525 6.108 -3.380 35 HA ARG 5 HA ARG 5 2.852 4.226 -5.552 36 HB2 ARG 5 2HB ARG 5 4.168 4.854 -3.009 37 HB3 ARG 5 3HB ARG 5 3.694 3.215 -2.909 38 HG2 ARG 5 2HG ARG 5 5.809 2.994 -3.848 39 HG3 ARG 5 3HG ARG 5 4.776 2.900 -5.218 40 HD2 ARG 5 2HD ARG 5 5.050 5.572 -5.130 41 HD3 ARG 5 3HD ARG 5 6.538 5.165 -4.302 42 HE ARG 5 HE ARG 5 5.782 4.408 -7.103 43 HH11 ARG 5 1HH1 ARG 5 8.334 4.448 -4.661 44 HH12 ARG 5 2HH1 ARG 5 9.579 4.211 -5.854 45 HH21 ARG 5 1HH2 ARG 5 7.423 4.016 -8.525 46 HH22 ARG 5 2HH2 ARG 5 9.068 3.885 -7.978 47 H ILE 6 H ILE 6 1.211 3.952 -2.281 48 HA ILE 6 HA ILE 6 0.295 1.297 -2.759 49 HB ILE 6 HB ILE 6 -0.536 3.521 -0.878 50 HG12 ILE 6 2HG1 ILE 6 -0.793 1.828 0.753 51 HG13 ILE 6 3HG1 ILE 6 -0.697 0.539 -0.459 52 HG21 ILE 6 1HG2 ILE 6 -2.746 3.261 -1.888 53 HG22 ILE 6 2HG2 ILE 6 -2.627 1.495 -1.785 54 HG23 ILE 6 3HG2 ILE 6 -2.749 2.514 -0.314 55 HD11 ILE 6 1HD1 ILE 6 1.580 2.497 -0.164 56 HD12 ILE 6 2HD1 ILE 6 1.373 1.143 0.992 57 HD13 ILE 6 3HD1 ILE 6 1.558 0.800 -0.740 58 H LYS 7 H LYS 7 -1.166 4.503 -3.683 59 HA LYS 7 HA LYS 7 -3.438 3.361 -4.988 60 HB2 LYS 7 2HB LYS 7 -3.404 5.727 -4.595 61 HB3 LYS 7 3HB LYS 7 -1.913 5.962 -5.493 62 HG2 LYS 7 2HG LYS 7 -2.996 5.468 -7.606 63 HG3 LYS 7 3HG LYS 7 -4.488 5.029 -6.788 64 HD2 LYS 7 2HD LYS 7 -3.191 7.798 -6.799 65 HD3 LYS 7 3HD LYS 7 -4.500 7.283 -7.870 66 HE2 LYS 7 2HE LYS 7 -5.950 6.867 -5.873 67 HE3 LYS 7 3HE LYS 7 -4.661 7.471 -4.829 68 HZ1 LYS 7 1HZ LYS 7 -4.822 9.620 -5.980 69 HZ2 LYS 7 2HZ LYS 7 -6.283 9.214 -5.370 70 HZ3 LYS 7 3HZ LYS 7 -5.997 9.055 -6.966 71 H GLN 8 H GLN 8 -0.445 4.370 -6.538 72 HA GLN 8 HA GLN 8 -0.693 3.538 -9.154 73 HB2 GLN 8 2HB GLN 8 1.340 4.708 -8.071 74 HB3 GLN 8 3HB GLN 8 1.718 3.237 -7.236 75 HG2 GLN 8 2HG GLN 8 2.259 2.092 -9.332 76 HG3 GLN 8 3HG GLN 8 1.723 3.527 -10.203 77 HE21 GLN 8 1HE2 GLN 8 3.867 3.535 -11.230 78 HE22 GLN 8 2HE2 GLN 8 5.212 4.235 -10.347 79 H TYR 9 H TYR 9 0.674 1.521 -6.537 80 HA TYR 9 HA TYR 9 0.714 -0.846 -8.208 81 HB2 TYR 9 2HB TYR 9 0.984 -0.374 -5.297 82 HB3 TYR 9 3HB TYR 9 1.374 -1.886 -6.131 83 HD1 TYR 9 HD1 TYR 9 3.129 0.027 -4.332 84 HD2 TYR 9 HD2 TYR 9 2.769 -0.616 -8.601 85 HE1 TYR 9 HE1 TYR 9 5.477 0.580 -4.637 86 HE2 TYR 9 HE2 TYR 9 5.098 0.151 -8.913 87 HH TYR 9 HH TYR 9 7.030 0.791 -7.897 88 H ARG 10 H ARG 10 -1.540 0.206 -5.560 89 HA ARG 10 HA ARG 10 -3.019 -2.132 -5.524 90 HB2 ARG 10 2HB ARG 10 -3.583 -0.540 -3.939 91 HB3 ARG 10 3HB ARG 10 -3.698 0.776 -5.099 92 HG2 ARG 10 2HG ARG 10 -5.865 -0.302 -5.839 93 HG3 ARG 10 3HG ARG 10 -5.589 -1.355 -4.417 94 HD2 ARG 10 2HD ARG 10 -6.932 0.343 -3.623 95 HD3 ARG 10 3HD ARG 10 -5.347 0.709 -3.021 96 HE ARG 10 HE ARG 10 -5.667 2.754 -3.816 97 HH11 ARG 10 1HH1 ARG 10 -7.263 0.825 -6.333 98 HH12 ARG 10 2HH1 ARG 10 -7.929 2.264 -7.043 99 HH21 ARG 10 1HH2 ARG 10 -6.516 4.429 -4.759 100 HH22 ARG 10 2HH2 ARG 10 -7.480 4.255 -6.213 101 H LYS 11 H LYS 11 -3.623 0.750 -7.652 102 HA LYS 11 HA LYS 11 -5.745 -0.473 -9.065 103 HB2 LYS 11 2HB LYS 11 -5.212 0.982 -11.005 104 HB3 LYS 11 3HB LYS 11 -5.576 1.786 -9.463 105 HG2 LYS 11 2HG LYS 11 -3.452 2.664 -9.515 106 HG3 LYS 11 3HG LYS 11 -2.764 1.228 -10.035 107 HD2 LYS 11 2HD LYS 11 -2.364 2.624 -11.801 108 HD3 LYS 11 3HD LYS 11 -3.517 1.466 -12.344 109 HE2 LYS 11 2HE LYS 11 -5.370 3.123 -11.983 110 HE3 LYS 11 3HE LYS 11 -4.202 4.294 -11.363 111 HZ1 LYS 11 1HZ LYS 11 -4.222 3.211 -14.136 112 HZ2 LYS 11 2HZ LYS 11 -3.143 4.299 -13.566 113 HZ3 LYS 11 3HZ LYS 11 -4.716 4.705 -13.704 114 H GLU 12 H GLU 12 -2.211 -0.449 -9.719 115 HA GLU 12 HA GLU 12 -2.412 -1.672 -12.230 116 HB2 GLU 12 2HB GLU 12 -0.701 -0.220 -11.611 117 HB3 GLU 12 3HB GLU 12 -0.149 -1.259 -10.327 118 HG2 GLU 12 2HG GLU 12 -0.143 -2.013 -13.224 119 HG3 GLU 12 3HG GLU 12 1.190 -1.098 -12.491 120 H LYS 13 H LYS 13 -2.195 -3.026 -8.992 121 HA LYS 13 HA LYS 13 -1.869 -5.840 -9.654 122 HB2 LYS 13 2HB LYS 13 -2.749 -4.526 -7.103 123 HB3 LYS 13 3HB LYS 13 -2.460 -6.206 -7.339 124 HG2 LYS 13 2HG LYS 13 -0.306 -4.164 -7.789 125 HG3 LYS 13 3HG LYS 13 -0.597 -4.926 -6.245 126 HD2 LYS 13 2HD LYS 13 1.334 -5.860 -7.297 127 HD3 LYS 13 3HD LYS 13 0.081 -7.086 -7.234 128 HE2 LYS 13 2HE LYS 13 -0.204 -7.078 -9.560 129 HE3 LYS 13 3HE LYS 13 0.236 -5.371 -9.700 130 HZ1 LYS 13 1HZ LYS 13 2.515 -5.905 -9.444 131 HZ2 LYS 13 2HZ LYS 13 1.936 -6.876 -10.614 132 HZ3 LYS 13 3HZ LYS 13 2.231 -7.488 -9.114 133 H GLY 14 H GLY 14 -4.596 -3.741 -9.626 134 HA2 GLY 14 2HA GLY 14 -6.776 -4.440 -10.442 135 HA3 GLY 14 3HA GLY 14 -6.429 -6.116 -10.023 136 H TYR 15 H TYR 15 -5.614 -3.669 -7.784 137 HA TYR 15 HA TYR 15 -7.723 -4.544 -5.902 138 HB2 TYR 15 2HB TYR 15 -5.106 -3.065 -5.540 139 HB3 TYR 15 3HB TYR 15 -6.083 -3.645 -4.253 140 HD1 TYR 15 HD1 TYR 15 -6.457 -6.369 -6.157 141 HD2 TYR 15 HD2 TYR 15 -3.176 -4.099 -4.518 142 HE1 TYR 15 HE1 TYR 15 -5.017 -8.403 -6.208 143 HE2 TYR 15 HE2 TYR 15 -1.816 -6.212 -4.354 144 HH TYR 15 HH TYR 15 -3.002 -9.322 -5.645 145 H SER 16 H SER 16 -8.187 -3.023 -4.286 146 HA SER 16 HA SER 16 -8.796 -0.260 -4.956 147 HB2 SER 16 2HB SER 16 -11.074 -0.463 -4.127 148 HB3 SER 16 3HB SER 16 -10.917 -1.662 -5.459 149 HG SER 16 HG SER 16 -11.782 -2.848 -3.859 150 H LEU 17 H LEU 17 -9.838 0.631 -2.765 151 HA LEU 17 HA LEU 17 -7.603 0.418 -1.011 152 HB2 LEU 17 2HB LEU 17 -10.256 1.805 -0.412 153 HB3 LEU 17 3HB LEU 17 -8.767 1.953 0.371 154 HG LEU 17 HG LEU 17 -7.833 2.566 -2.093 155 HD11 LEU 17 1HD1 LEU 17 -10.000 2.154 -3.175 156 HD12 LEU 17 2HD1 LEU 17 -9.585 3.868 -3.267 157 HD13 LEU 17 3HD1 LEU 17 -10.776 3.291 -2.052 158 HD21 LEU 17 1HD2 LEU 17 -8.466 4.978 -1.533 159 HD22 LEU 17 2HD2 LEU 17 -7.588 4.039 -0.323 160 HD23 LEU 17 3HD2 LEU 17 -9.350 4.299 -0.122 161 H SER 18 H SER 18 -10.627 -1.178 -1.159 162 HA SER 18 HA SER 18 -10.461 -2.339 1.592 163 HB2 SER 18 2HB SER 18 -12.595 -1.553 1.093 164 HB3 SER 18 3HB SER 18 -12.518 -2.119 -0.566 165 HG SER 18 HG SER 18 -12.900 -3.632 1.836 166 H GLU 19 H GLU 19 -10.445 -3.455 -1.858 167 HA GLU 19 HA GLU 19 -9.860 -6.232 -1.427 168 HB2 GLU 19 3HB GLU 19 -9.099 -4.250 -3.548 169 HB3 GLU 19 2HB GLU 19 -8.402 -5.793 -3.611 170 HG2 GLU 19 2HG GLU 19 -10.475 -5.244 -4.989 171 HG3 GLU 19 3HG GLU 19 -10.330 -6.839 -4.233 172 H LEU 20 H LEU 20 -7.633 -3.456 -1.917 173 HA LEU 20 HA LEU 20 -5.306 -4.950 -1.651 174 HB2 LEU 20 2HB LEU 20 -5.721 -2.566 -2.573 175 HB3 LEU 20 3HB LEU 20 -5.661 -1.959 -0.999 176 HG LEU 20 HG LEU 20 -3.765 -2.553 -3.099 177 HD11 LEU 20 1HD1 LEU 20 -3.198 -1.431 -0.387 178 HD12 LEU 20 2HD1 LEU 20 -3.979 -0.524 -1.727 179 HD13 LEU 20 3HD1 LEU 20 -2.307 -1.131 -1.904 180 HD21 LEU 20 1HD2 LEU 20 -2.993 -3.858 -0.519 181 HD22 LEU 20 2HD2 LEU 20 -1.966 -3.604 -1.958 182 HD23 LEU 20 3HD2 LEU 20 -3.373 -4.648 -2.079 183 H ALA 21 H ALA 21 -7.128 -3.027 0.793 184 HA ALA 21 HA ALA 21 -5.499 -3.657 2.953 185 HB1 ALA 21 1HB ALA 21 -8.516 -3.347 3.022 186 HB2 ALA 21 2HB ALA 21 -7.381 -3.171 4.382 187 HB3 ALA 21 3HB ALA 21 -7.322 -2.032 3.019 188 H GLU 22 H GLU 22 -8.174 -5.701 1.764 189 HA GLU 22 HA GLU 22 -7.885 -7.611 3.963 190 HB2 GLU 22 2HB GLU 22 -9.290 -9.116 2.755 191 HB3 GLU 22 3HB GLU 22 -10.024 -7.498 2.769 192 HG2 GLU 22 2HG GLU 22 -9.815 -7.220 0.503 193 HG3 GLU 22 3HG GLU 22 -8.452 -8.321 0.466 194 H LYS 23 H LYS 23 -6.379 -7.248 0.824 195 HA LYS 23 HA LYS 23 -5.160 -9.917 0.747 196 HB2 LYS 23 2HB LYS 23 -4.663 -7.329 -0.779 197 HB3 LYS 23 3HB LYS 23 -3.874 -8.876 -1.164 198 HG2 LYS 23 2HG LYS 23 -6.000 -9.917 -1.676 199 HG3 LYS 23 3HG LYS 23 -6.871 -8.549 -1.102 200 HD2 LYS 23 2HD LYS 23 -5.631 -7.149 -3.017 201 HD3 LYS 23 3HD LYS 23 -5.360 -8.732 -3.715 202 HE2 LYS 23 2HE LYS 23 -8.088 -7.742 -2.828 203 HE3 LYS 23 3HE LYS 23 -7.491 -7.687 -4.487 204 HZ1 LYS 23 1HZ LYS 23 -7.986 -10.145 -2.891 205 HZ2 LYS 23 2HZ LYS 23 -7.327 -10.151 -4.392 206 HZ3 LYS 23 3HZ LYS 23 -8.859 -9.638 -4.164 207 H ALA 24 H ALA 24 -3.903 -6.604 1.215 208 HA ALA 24 HA ALA 24 -1.328 -6.995 2.014 209 HB1 ALA 24 1HB ALA 24 -3.532 -5.084 2.859 210 HB2 ALA 24 2HB ALA 24 -1.818 -4.796 3.306 211 HB3 ALA 24 3HB ALA 24 -2.332 -4.866 1.584 212 H GLY 25 H GLY 25 -4.303 -7.179 4.009 213 HA2 GLY 25 2HA GLY 25 -4.505 -8.251 6.147 214 HA3 GLY 25 3HA GLY 25 -2.756 -8.230 6.336 215 H VAL 26 H VAL 26 -4.874 -5.526 5.484 216 HA VAL 26 HA VAL 26 -3.923 -3.995 7.894 217 HB VAL 26 HB VAL 26 -3.400 -2.141 6.641 218 HG11 VAL 26 1HG1 VAL 26 -2.045 -4.689 5.716 219 HG12 VAL 26 2HG1 VAL 26 -1.374 -3.045 5.546 220 HG13 VAL 26 3HG1 VAL 26 -1.795 -3.716 7.192 221 HG21 VAL 26 1HG2 VAL 26 -4.017 -3.849 4.336 222 HG22 VAL 26 2HG2 VAL 26 -4.921 -2.367 4.855 223 HG23 VAL 26 3HG2 VAL 26 -3.249 -2.221 4.252 224 H ALA 27 H ALA 27 -5.119 -1.808 7.621 225 HA ALA 27 HA ALA 27 -8.063 -2.374 7.738 226 HB1 ALA 27 1HB ALA 27 -6.885 -1.235 9.597 227 HB2 ALA 27 2HB ALA 27 -6.416 0.075 8.502 228 HB3 ALA 27 3HB ALA 27 -8.143 -0.194 8.869 229 H LYS 28 H LYS 28 -9.531 -1.498 6.066 230 HA LYS 28 HA LYS 28 -8.394 -0.338 3.674 231 HB2 LYS 28 2HB LYS 28 -10.754 -1.124 3.656 232 HB3 LYS 28 3HB LYS 28 -11.199 0.176 4.791 233 HG2 LYS 28 2HG LYS 28 -9.841 1.018 2.246 234 HG3 LYS 28 3HG LYS 28 -11.450 0.463 2.152 235 HD2 LYS 28 2HD LYS 28 -11.963 2.178 4.092 236 HD3 LYS 28 3HD LYS 28 -10.501 2.870 3.386 237 HE2 LYS 28 2HE LYS 28 -12.251 3.972 2.296 238 HE3 LYS 28 3HE LYS 28 -11.594 2.827 1.126 239 HZ1 LYS 28 1HZ LYS 28 -14.031 2.787 1.175 240 HZ2 LYS 28 2HZ LYS 28 -14.055 2.416 2.759 241 HZ3 LYS 28 3HZ LYS 28 -13.478 1.337 1.675 242 H SER 29 H SER 29 -9.612 1.107 6.649 243 HA SER 29 HA SER 29 -9.518 3.734 5.822 244 HB2 SER 29 2HB SER 29 -10.574 2.989 7.910 245 HB3 SER 29 3HB SER 29 -8.984 2.619 8.599 246 HG SER 29 HG SER 29 -9.830 4.657 9.288 247 H TYR 30 H TYR 30 -6.835 1.600 6.619 248 HA TYR 30 HA TYR 30 -4.759 3.651 6.696 249 HB2 TYR 30 2HB TYR 30 -4.719 0.642 6.535 250 HB3 TYR 30 3HB TYR 30 -3.655 1.390 5.448 251 HD1 TYR 30 HD1 TYR 30 -3.993 0.652 8.996 252 HD2 TYR 30 HD2 TYR 30 -2.058 3.107 6.045 253 HE1 TYR 30 HE1 TYR 30 -2.145 1.169 10.600 254 HE2 TYR 30 HE2 TYR 30 -0.201 3.526 7.509 255 HH TYR 30 HH TYR 30 -0.192 2.296 10.942 256 H LEU 31 H LEU 31 -5.869 1.449 4.031 257 HA LEU 31 HA LEU 31 -4.086 2.748 2.313 258 HB2 LEU 31 3HB LEU 31 -6.579 1.142 1.637 259 HB3 LEU 31 2HB LEU 31 -5.411 1.695 0.427 260 HG LEU 31 HG LEU 31 -4.973 -0.578 0.874 261 HD11 LEU 31 1HD1 LEU 31 -2.725 -0.700 2.032 262 HD12 LEU 31 2HD1 LEU 31 -2.904 1.002 2.454 263 HD13 LEU 31 3HD1 LEU 31 -2.813 0.534 0.744 264 HD21 LEU 31 1HD2 LEU 31 -4.447 -0.152 3.801 265 HD22 LEU 31 2HD2 LEU 31 -4.871 -1.609 2.837 266 HD23 LEU 31 3HD2 LEU 31 -6.108 -0.416 3.195 267 H SER 32 H SER 32 -7.584 3.436 2.871 268 HA SER 32 HA SER 32 -7.740 5.612 1.012 269 HB2 SER 32 2HB SER 32 -9.584 6.469 2.253 270 HB3 SER 32 3HB SER 32 -9.731 4.719 2.043 271 HG SER 32 HG SER 32 -10.186 5.643 4.208 272 H SER 33 H SER 33 -6.706 5.715 4.518 273 HA SER 33 HA SER 33 -6.188 8.527 4.349 274 HB2 SER 33 2HB SER 33 -6.746 7.327 6.401 275 HB3 SER 33 3HB SER 33 -5.184 6.504 6.347 276 HG SER 33 HG SER 33 -5.331 8.469 7.693 277 H ILE 34 H ILE 34 -3.828 5.747 3.948 278 HA ILE 34 HA ILE 34 -1.520 7.150 3.448 279 HB ILE 34 HB ILE 34 -2.710 4.731 1.988 280 HG12 ILE 34 2HG1 ILE 34 -2.213 4.269 4.359 281 HG13 ILE 34 3HG1 ILE 34 -1.259 3.297 3.320 282 HG21 ILE 34 1HG2 ILE 34 -0.289 4.324 1.224 283 HG22 ILE 34 2HG2 ILE 34 -1.171 5.612 0.441 284 HG23 ILE 34 3HG2 ILE 34 0.000 6.032 1.730 285 HD11 ILE 34 1HD1 ILE 34 0.034 4.206 5.217 286 HD12 ILE 34 2HD1 ILE 34 0.724 4.576 3.628 287 HD13 ILE 34 3HD1 ILE 34 -0.176 5.820 4.500 288 H GLU 35 H GLU 35 -4.008 6.328 1.050 289 HA GLU 35 HA GLU 35 -3.027 8.062 -1.007 290 HB2 GLU 35 2HB GLU 35 -5.789 6.856 -0.608 291 HB3 GLU 35 3HB GLU 35 -5.250 7.704 -2.065 292 HG2 GLU 35 2HG GLU 35 -3.406 6.094 -2.354 293 HG3 GLU 35 3HG GLU 35 -3.910 5.205 -0.929 294 H ARG 36 H ARG 36 -5.032 8.943 1.765 295 HA ARG 36 HA ARG 36 -5.360 11.709 0.770 296 HB2 ARG 36 2HB ARG 36 -5.761 10.607 3.574 297 HB3 ARG 36 3HB ARG 36 -6.138 12.226 3.032 298 HG2 ARG 36 2HG ARG 36 -7.541 9.671 2.175 299 HG3 ARG 36 3HG ARG 36 -8.140 10.905 3.240 300 HD2 ARG 36 2HD ARG 36 -9.228 11.389 1.228 301 HD3 ARG 36 3HD ARG 36 -7.878 12.519 1.230 302 HE ARG 36 HE ARG 36 -6.909 11.388 -0.573 303 HH11 ARG 36 1HH1 ARG 36 -6.708 9.915 -2.162 304 HH12 ARG 36 2HH1 ARG 36 -7.856 8.610 -2.317 305 HH21 ARG 36 1HH2 ARG 36 -9.611 9.442 0.514 306 HH22 ARG 36 2HH2 ARG 36 -9.460 8.337 -0.826 307 H ASN 37 H ASN 37 -3.704 10.764 3.763 308 HA ASN 37 HA ASN 37 -1.303 12.288 3.145 309 HB2 ASN 37 2HB ASN 37 -3.165 14.027 3.568 310 HB3 ASN 37 3HB ASN 37 -3.196 13.454 5.232 311 HD21 ASN 37 1HD2 ASN 37 -2.369 15.295 6.261 312 HD22 ASN 37 2HD2 ASN 37 -0.793 15.973 5.880 313 H LEU 38 H LEU 38 -2.085 9.585 4.354 314 HA LEU 38 HA LEU 38 -1.026 9.666 7.081 315 HB2 LEU 38 2HB LEU 38 -2.741 8.015 6.062 316 HB3 LEU 38 3HB LEU 38 -1.375 7.185 5.426 317 HG LEU 38 HG LEU 38 -1.825 7.624 8.353 318 HD11 LEU 38 1HD1 LEU 38 -2.559 5.323 6.571 319 HD12 LEU 38 2HD1 LEU 38 -3.594 6.290 7.652 320 HD13 LEU 38 3HD1 LEU 38 -2.429 5.181 8.341 321 HD21 LEU 38 1HD2 LEU 38 -0.271 5.683 8.625 322 HD22 LEU 38 2HD2 LEU 38 0.517 7.128 8.030 323 HD23 LEU 38 3HD2 LEU 38 0.118 5.812 6.900 324 H GLN 39 H GLN 39 0.201 8.509 3.922 325 HA GLN 39 HA GLN 39 2.734 7.810 5.020 326 HB2 GLN 39 2HB GLN 39 1.549 6.932 2.928 327 HB3 GLN 39 3HB GLN 39 2.303 8.274 2.070 328 HG2 GLN 39 2HG GLN 39 3.531 5.862 3.430 329 HG3 GLN 39 3HG GLN 39 3.729 6.374 1.765 330 HE21 GLN 39 1HE2 GLN 39 5.029 6.621 5.003 331 HE22 GLN 39 2HE2 GLN 39 6.331 7.720 4.574 332 H THR 40 H THR 40 2.934 9.769 6.175 333 HA THR 40 HA THR 40 4.880 11.653 4.899 334 HB THR 40 HB THR 40 4.211 13.276 6.552 335 HG1 THR 40 HG1 THR 40 2.511 12.729 8.025 336 HG21 THR 40 1HG2 THR 40 1.840 13.647 6.010 337 HG22 THR 40 2HG2 THR 40 1.653 11.959 5.490 338 HG23 THR 40 3HG2 THR 40 2.687 13.062 4.565 339 H ASN 41 H ASN 41 4.237 9.212 7.209 340 HA ASN 41 HA ASN 41 7.019 9.007 8.114 341 HB2 ASN 41 2HB ASN 41 4.612 9.200 9.993 342 HB3 ASN 41 3HB ASN 41 6.208 8.639 10.474 343 HD21 ASN 41 1HD2 ASN 41 4.366 11.520 9.439 344 HD22 ASN 41 2HD2 ASN 41 5.553 12.644 10.084 345 HA PRO 42 HA PRO 42 5.699 4.861 7.135 346 HB2 PRO 42 2HB PRO 42 7.793 3.350 7.987 347 HB3 PRO 42 3HB PRO 42 7.932 4.528 6.649 348 HG2 PRO 42 2HG PRO 42 8.703 4.929 9.557 349 HG3 PRO 42 3HG PRO 42 9.669 5.295 8.092 350 HD2 PRO 42 2HD PRO 42 8.179 7.196 9.396 351 HD3 PRO 42 3HD PRO 42 8.404 7.212 7.621 352 H SER 43 H SER 43 4.258 3.431 8.012 353 HA SER 43 HA SER 43 4.888 2.264 10.721 354 HB2 SER 43 2HB SER 43 2.539 2.799 10.510 355 HB3 SER 43 3HB SER 43 2.453 1.905 8.983 356 HG SER 43 HG SER 43 2.840 0.946 11.630 357 H ILE 44 H ILE 44 6.725 1.145 10.263 358 HA ILE 44 HA ILE 44 7.275 0.041 7.727 359 HB ILE 44 HB ILE 44 8.523 -0.799 10.367 360 HG12 ILE 44 2HG1 ILE 44 10.459 0.634 9.315 361 HG13 ILE 44 3HG1 ILE 44 9.206 1.379 8.335 362 HG21 ILE 44 1HG2 ILE 44 10.402 -1.577 8.900 363 HG22 ILE 44 2HG2 ILE 44 8.929 -2.495 8.638 364 HG23 ILE 44 3HG2 ILE 44 9.400 -1.244 7.468 365 HD11 ILE 44 1HD1 ILE 44 8.145 2.271 10.385 366 HD12 ILE 44 2HD1 ILE 44 9.257 1.316 11.396 367 HD13 ILE 44 3HD1 ILE 44 9.866 2.650 10.398 368 H GLN 45 H GLN 45 5.784 -1.572 10.569 369 HA GLN 45 HA GLN 45 5.640 -4.173 9.507 370 HB2 GLN 45 2HB GLN 45 5.156 -3.738 11.815 371 HB3 GLN 45 3HB GLN 45 3.799 -2.693 11.405 372 HG2 GLN 45 2HG GLN 45 3.100 -4.922 12.235 373 HG3 GLN 45 3HG GLN 45 2.462 -4.546 10.640 374 HE21 GLN 45 1HE2 GLN 45 5.750 -5.871 11.508 375 HE22 GLN 45 2HE2 GLN 45 5.530 -7.302 10.515 376 H PHE 46 H PHE 46 3.273 -1.543 9.173 377 HA PHE 46 HA PHE 46 1.274 -2.942 7.506 378 HB2 PHE 46 2HB PHE 46 0.532 -0.951 8.623 379 HB3 PHE 46 3HB PHE 46 1.985 -0.066 8.195 380 HD1 PHE 46 HD1 PHE 46 -1.301 -1.111 6.993 381 HD2 PHE 46 HD2 PHE 46 2.358 0.905 5.973 382 HE1 PHE 46 HE1 PHE 46 -2.297 -0.421 4.840 383 HE2 PHE 46 HE2 PHE 46 1.419 1.537 3.759 384 HZ PHE 46 HZ PHE 46 -0.941 0.987 3.249 385 H LEU 47 H LEU 47 4.161 -1.033 6.870 386 HA LEU 47 HA LEU 47 3.741 -0.990 3.989 387 HB2 LEU 47 2HB LEU 47 6.211 -0.609 5.755 388 HB3 LEU 47 3HB LEU 47 6.317 -0.528 4.017 389 HG LEU 47 HG LEU 47 4.565 1.377 5.643 390 HD11 LEU 47 1HD1 LEU 47 7.460 1.734 4.756 391 HD12 LEU 47 2HD1 LEU 47 6.888 1.594 6.436 392 HD13 LEU 47 3HD1 LEU 47 6.426 2.993 5.455 393 HD21 LEU 47 1HD2 LEU 47 4.974 2.861 3.655 394 HD22 LEU 47 2HD2 LEU 47 4.087 1.380 3.263 395 HD23 LEU 47 3HD2 LEU 47 5.837 1.512 2.894 396 H GLU 48 H GLU 48 5.600 -3.197 6.156 397 HA GLU 48 HA GLU 48 6.502 -4.955 4.175 398 HB2 GLU 48 2HB GLU 48 5.360 -6.205 6.668 399 HB3 GLU 48 3HB GLU 48 6.737 -6.661 5.686 400 HG2 GLU 48 2HG GLU 48 7.775 -4.406 6.629 401 HG3 GLU 48 3HG GLU 48 6.505 -4.582 7.812 402 H LYS 49 H LYS 49 3.394 -5.028 5.938 403 HA LYS 49 HA LYS 49 2.093 -7.210 4.782 404 HB2 LYS 49 2HB LYS 49 0.912 -4.521 5.633 405 HB3 LYS 49 3HB LYS 49 -0.007 -5.882 5.460 406 HG2 LYS 49 2HG LYS 49 2.111 -6.647 7.249 407 HG3 LYS 49 3HG LYS 49 1.669 -4.982 7.623 408 HD2 LYS 49 2HD LYS 49 0.368 -6.272 9.075 409 HD3 LYS 49 3HD LYS 49 -0.724 -5.694 7.824 410 HE2 LYS 49 2HE LYS 49 -1.245 -7.994 8.324 411 HE3 LYS 49 3HE LYS 49 -0.587 -7.922 6.691 412 HZ1 LYS 49 1HZ LYS 49 0.377 -9.748 8.021 413 HZ2 LYS 49 2HZ LYS 49 0.959 -8.691 9.122 414 HZ3 LYS 49 3HZ LYS 49 1.550 -8.693 7.603 415 H VAL 50 H VAL 50 1.572 -3.877 3.665 416 HA VAL 50 HA VAL 50 0.143 -4.923 1.230 417 HB VAL 50 HB VAL 50 -1.031 -3.175 2.116 418 HG11 VAL 50 1HG1 VAL 50 0.145 -0.939 2.431 419 HG12 VAL 50 2HG1 VAL 50 0.178 -2.256 3.636 420 HG13 VAL 50 3HG1 VAL 50 1.620 -1.962 2.586 421 HG21 VAL 50 1HG2 VAL 50 -0.659 -3.059 -0.325 422 HG22 VAL 50 2HG2 VAL 50 -1.152 -1.535 0.466 423 HG23 VAL 50 3HG2 VAL 50 0.529 -1.750 0.003 424 H SER 51 H SER 51 3.332 -3.370 1.832 425 HA SER 51 HA SER 51 3.966 -3.095 -1.011 426 HB2 SER 51 2HB SER 51 6.236 -3.001 -0.452 427 HB3 SER 51 3HB SER 51 5.429 -2.176 0.859 428 HG SER 51 HG SER 51 5.737 -3.874 2.145 429 H ALA 52 H ALA 52 4.239 -5.752 1.313 430 HA ALA 52 HA ALA 52 5.445 -7.692 -0.446 431 HB1 ALA 52 1HB ALA 52 3.555 -8.008 1.926 432 HB2 ALA 52 2HB ALA 52 4.359 -9.376 1.114 433 HB3 ALA 52 3HB ALA 52 5.327 -8.133 1.929 434 H VAL 53 H VAL 53 2.020 -6.941 0.258 435 HA VAL 53 HA VAL 53 1.004 -8.715 -1.758 436 HB VAL 53 HB VAL 53 0.029 -7.235 0.365 437 HG11 VAL 53 1HG1 VAL 53 -0.598 -5.255 -0.942 438 HG12 VAL 53 2HG1 VAL 53 -1.583 -6.297 -2.030 439 HG13 VAL 53 3HG1 VAL 53 -1.989 -6.118 -0.326 440 HG21 VAL 53 1HG2 VAL 53 -0.558 -9.510 -0.538 441 HG22 VAL 53 2HG2 VAL 53 -1.777 -8.478 0.162 442 HG23 VAL 53 3HG2 VAL 53 -1.684 -8.647 -1.644 443 H LEU 54 H LEU 54 1.961 -5.344 -2.043 444 HA LEU 54 HA LEU 54 0.947 -5.067 -4.744 445 HB2 LEU 54 2HB LEU 54 2.723 -3.283 -3.001 446 HB3 LEU 54 3HB LEU 54 2.223 -2.872 -4.585 447 HG LEU 54 HG LEU 54 0.365 -3.460 -2.303 448 HD11 LEU 54 1HD1 LEU 54 1.601 -1.534 -1.836 449 HD12 LEU 54 2HD1 LEU 54 -0.021 -0.985 -2.318 450 HD13 LEU 54 3HD1 LEU 54 1.381 -0.851 -3.403 451 HD21 LEU 54 1HD2 LEU 54 -1.057 -3.907 -4.192 452 HD22 LEU 54 2HD2 LEU 54 -0.299 -2.693 -5.187 453 HD23 LEU 54 3HD2 LEU 54 -1.425 -2.219 -3.923 454 H ASP 55 H ASP 55 3.452 -6.934 -3.857 455 HA ASP 55 HA ASP 55 5.258 -7.798 -4.905 456 HB2 ASP 55 2HB ASP 55 4.163 -6.405 -7.354 457 HB3 ASP 55 3HB ASP 55 5.640 -7.275 -7.392 458 H VAL 56 H VAL 56 5.441 -5.557 -3.366 459 HA VAL 56 HA VAL 56 7.632 -3.860 -4.483 460 HB VAL 56 HB VAL 56 4.795 -3.507 -3.648 461 HG11 VAL 56 1HG1 VAL 56 5.818 -1.885 -2.125 462 HG12 VAL 56 2HG1 VAL 56 6.515 -1.083 -3.548 463 HG13 VAL 56 3HG1 VAL 56 4.732 -1.299 -3.363 464 HG21 VAL 56 1HG2 VAL 56 4.702 -2.309 -5.670 465 HG22 VAL 56 2HG2 VAL 56 6.499 -2.174 -5.739 466 HG23 VAL 56 3HG2 VAL 56 5.662 -3.743 -5.988 467 H SER 57 H SER 57 8.562 -2.325 -2.680 468 HA SER 57 HA SER 57 9.272 -4.235 -0.533 469 HB2 SER 57 2HB SER 57 11.201 -2.561 -2.147 470 HB3 SER 57 3HB SER 57 11.586 -3.902 -1.062 471 HG SER 57 HG SER 57 11.610 -4.546 -3.263 472 H VAL 58 H VAL 58 7.697 -2.355 0.489 473 HA VAL 58 HA VAL 58 7.473 -1.092 2.311 474 HB VAL 58 HB VAL 58 10.226 -2.215 3.037 475 HG11 VAL 58 1HG1 VAL 58 9.452 -0.288 4.594 476 HG12 VAL 58 2HG1 VAL 58 8.145 -1.410 5.073 477 HG13 VAL 58 3HG1 VAL 58 9.808 -1.855 5.334 478 HG21 VAL 58 1HG2 VAL 58 7.421 -3.095 3.714 479 HG22 VAL 58 2HG2 VAL 58 8.528 -3.965 2.610 480 HG23 VAL 58 3HG2 VAL 58 8.890 -3.868 4.341 481 H HIS 59 H HIS 59 10.905 -0.427 1.404 482 HA HIS 59 HA HIS 59 10.748 2.428 2.035 483 HB2 HIS 59 2HB HIS 59 12.501 2.432 0.006 484 HB3 HIS 59 3HB HIS 59 12.891 2.063 1.631 485 HD1 HIS 59 HD1 HIS 59 14.457 0.097 1.863 486 HD2 HIS 59 HD2 HIS 59 12.028 -0.052 -1.573 487 HE1 HIS 59 HE1 HIS 59 15.169 -1.993 0.559 488 H THR 60 H THR 60 10.164 0.429 -0.782 489 HA THR 60 HA THR 60 10.049 2.285 -2.841 490 HB THR 60 HB THR 60 8.060 0.032 -2.410 491 HG1 THR 60 HG1 THR 60 10.513 -0.220 -3.747 492 HG21 THR 60 1HG2 THR 60 7.492 1.363 -4.250 493 HG22 THR 60 2HG2 THR 60 8.240 -0.108 -4.918 494 HG23 THR 60 3HG2 THR 60 9.182 1.448 -4.797 495 H LEU 61 H LEU 61 7.380 1.519 -0.618 496 HA LEU 61 HA LEU 61 5.420 3.181 -1.826 497 HB2 LEU 61 2HB LEU 61 5.790 2.244 0.987 498 HB3 LEU 61 3HB LEU 61 4.257 2.745 0.303 499 HG LEU 61 HG LEU 61 5.875 0.250 -0.582 500 HD11 LEU 61 1HD1 LEU 61 3.516 0.692 1.269 501 HD12 LEU 61 2HD1 LEU 61 5.078 -0.156 1.482 502 HD13 LEU 61 3HD1 LEU 61 3.807 -0.842 0.427 503 HD21 LEU 61 1HD2 LEU 61 3.653 -0.123 -1.843 504 HD22 LEU 61 2HD2 LEU 61 4.751 1.120 -2.505 505 HD23 LEU 61 3HD2 LEU 61 3.348 1.610 -1.590 506 H LEU 62 H LEU 62 7.760 3.914 0.777 507 HA LEU 62 HA LEU 62 6.675 6.648 1.024 508 HB2 LEU 62 2HB LEU 62 7.920 6.841 3.000 509 HB3 LEU 62 3HB LEU 62 7.330 5.204 2.999 510 HG LEU 62 HG LEU 62 9.831 4.921 1.784 511 HD11 LEU 62 1HD1 LEU 62 10.545 7.182 2.149 512 HD12 LEU 62 2HD1 LEU 62 11.463 6.073 3.159 513 HD13 LEU 62 3HD1 LEU 62 10.167 7.046 3.894 514 HD21 LEU 62 1HD2 LEU 62 9.161 4.698 4.703 515 HD22 LEU 62 2HD2 LEU 62 10.528 3.922 3.865 516 HD23 LEU 62 3HD2 LEU 62 8.864 3.489 3.415 517 H ASP 63 H ASP 63 9.227 5.009 -0.540 518 HA ASP 63 HA ASP 63 10.992 7.346 -0.746 519 HB2 ASP 63 2HB ASP 63 11.836 5.487 0.426 520 HB3 ASP 63 3HB ASP 63 11.480 4.379 -0.946 521 H GLU 64 H GLU 64 12.487 7.252 -2.463 522 HA GLU 64 HA GLU 64 11.174 7.435 -5.151 523 HB2 GLU 64 2HB GLU 64 12.459 9.584 -5.284 524 HB3 GLU 64 3HB GLU 64 11.233 9.543 -4.018 525 HG2 GLU 64 2HG GLU 64 12.970 9.067 -2.294 526 HG3 GLU 64 3HG GLU 64 14.216 9.100 -3.554 527 H LYS 65 H LYS 65 13.506 5.744 -3.693 528 HA LYS 65 HA LYS 65 15.273 5.386 -6.068 529 HB2 LYS 65 2HB LYS 65 17.291 5.578 -4.644 530 HB3 LYS 65 3HB LYS 65 16.343 7.071 -4.633 531 HG2 LYS 65 2HG LYS 65 15.214 6.056 -2.581 532 HG3 LYS 65 3HG LYS 65 16.565 4.983 -2.412 533 HD2 LYS 65 2HD LYS 65 16.606 8.037 -2.419 534 HD3 LYS 65 3HD LYS 65 16.330 7.061 -0.973 535 HE2 LYS 65 2HE LYS 65 18.818 6.757 -2.749 536 HE3 LYS 65 3HE LYS 65 18.745 7.972 -1.470 537 HZ1 LYS 65 1HZ LYS 65 19.773 5.897 -0.710 538 HZ2 LYS 65 2HZ LYS 65 18.383 5.061 -0.965 539 HZ3 LYS 65 3HZ LYS 65 18.434 6.243 0.163 540 H HIS 66 H HIS 66 13.905 4.012 -3.100 541 HA HIS 66 HA HIS 66 13.479 2.016 -2.420 542 HB2 HIS 66 2HB HIS 66 12.811 0.258 -3.956 543 HB3 HIS 66 3HB HIS 66 12.163 1.822 -4.379 544 HD1 HIS 66 HD1 HIS 66 12.344 2.428 -6.880 545 HD2 HIS 66 HD2 HIS 66 15.203 -0.383 -5.597 546 HE1 HIS 66 HE1 HIS 66 13.615 1.696 -8.963 547 H GLU 67 H GLU 67 16.123 2.816 -2.198 548 HA GLU 67 HA GLU 67 17.439 0.250 -1.624 549 HB2 GLU 67 2HB GLU 67 18.631 2.371 -3.461 550 HB3 GLU 67 3HB GLU 67 19.603 1.165 -2.637 551 HG2 GLU 67 2HG GLU 67 17.469 0.592 -4.723 552 HG3 GLU 67 3HG GLU 67 19.205 0.580 -4.964 553 H THR 68 H THR 68 18.786 0.372 0.102 554 HA THR 68 HA THR 68 19.656 1.004 2.033 555 HB THR 68 HB THR 68 20.167 3.667 0.684 556 HG1 THR 68 HG1 THR 68 21.021 1.861 -0.385 557 HG21 THR 68 1HG2 THR 68 21.515 2.430 3.114 558 HG22 THR 68 2HG2 THR 68 20.651 3.985 3.033 559 HG23 THR 68 3HG2 THR 68 22.176 3.784 2.169 560 H GLU 69 H GLU 69 17.006 2.808 1.115 561 HA GLU 69 HA GLU 69 16.415 3.983 3.757 562 HB2 GLU 69 2HB GLU 69 14.558 3.683 1.360 563 HB3 GLU 69 3HB GLU 69 14.269 4.648 2.797 564 HG2 GLU 69 2HG GLU 69 16.194 5.134 0.540 565 HG3 GLU 69 3HG GLU 69 14.933 6.186 1.174 Start of MODEL 4 1 H1 MET 1 1H MET 1 8.838 9.609 1.251 2 H2 MET 1 2H MET 1 8.470 10.355 2.670 3 H3 MET 1 3H MET 1 8.535 11.218 1.275 4 HA MET 1 HA MET 1 6.579 9.094 1.869 5 HB2 MET 1 2HB MET 1 6.041 11.060 3.183 6 HB3 MET 1 3HB MET 1 6.268 12.119 1.787 7 HG2 MET 1 2HG MET 1 4.317 11.054 0.663 8 HG3 MET 1 3HG MET 1 4.081 10.028 2.077 9 HE1 MET 1 1HE MET 1 0.983 12.358 2.250 10 HE2 MET 1 2HE MET 1 1.736 11.604 0.828 11 HE3 MET 1 3HE MET 1 1.579 10.686 2.345 12 H ILE 2 H ILE 2 5.445 8.317 0.180 13 HA ILE 2 HA ILE 2 5.117 10.076 -2.203 14 HB ILE 2 HB ILE 2 5.383 7.092 -2.503 15 HG12 ILE 2 2HG1 ILE 2 7.601 8.110 -2.121 16 HG13 ILE 2 3HG1 ILE 2 7.385 7.296 -3.655 17 HG21 ILE 2 1HG2 ILE 2 3.779 7.912 -4.068 18 HG22 ILE 2 2HG2 ILE 2 4.795 9.309 -4.471 19 HG23 ILE 2 3HG2 ILE 2 5.294 7.681 -4.950 20 HD11 ILE 2 1HD1 ILE 2 7.197 9.361 -4.850 21 HD12 ILE 2 2HD1 ILE 2 7.146 10.298 -3.343 22 HD13 ILE 2 3HD1 ILE 2 8.638 9.447 -3.816 23 H GLY 3 H GLY 3 3.824 7.223 -0.440 24 HA2 GLY 3 2HA GLY 3 1.691 6.727 0.312 25 HA3 GLY 3 3HA GLY 3 1.144 8.348 -0.126 26 H GLN 4 H GLN 4 1.237 8.664 -2.699 27 HA GLN 4 HA GLN 4 -0.741 6.952 -3.774 28 HB2 GLN 4 2HB GLN 4 -0.583 8.204 -5.679 29 HB3 GLN 4 3HB GLN 4 -0.317 9.354 -4.388 30 HG2 GLN 4 2HG GLN 4 2.021 9.549 -4.936 31 HG3 GLN 4 3HG GLN 4 1.992 8.121 -5.980 32 HE21 GLN 4 1HE2 GLN 4 3.027 10.516 -6.987 33 HE22 GLN 4 2HE2 GLN 4 1.907 11.117 -8.203 34 H ARG 5 H ARG 5 2.465 6.131 -3.248 35 HA ARG 5 HA ARG 5 2.871 4.309 -5.483 36 HB2 ARG 5 2HB ARG 5 4.272 4.964 -3.010 37 HB3 ARG 5 3HB ARG 5 3.759 3.358 -2.801 38 HG2 ARG 5 2HG ARG 5 5.842 3.024 -3.824 39 HG3 ARG 5 3HG ARG 5 4.742 2.895 -5.144 40 HD2 ARG 5 2HD ARG 5 5.065 5.495 -5.307 41 HD3 ARG 5 3HD ARG 5 6.540 5.207 -4.395 42 HE ARG 5 HE ARG 5 5.849 4.201 -7.129 43 HH11 ARG 5 1HH1 ARG 5 7.516 3.785 -8.514 44 HH12 ARG 5 2HH1 ARG 5 9.159 3.750 -7.948 45 HH21 ARG 5 1HH2 ARG 5 8.378 4.431 -4.668 46 HH22 ARG 5 2HH2 ARG 5 9.640 4.211 -5.844 47 H ILE 6 H ILE 6 1.242 3.999 -2.214 48 HA ILE 6 HA ILE 6 0.356 1.348 -2.692 49 HB ILE 6 HB ILE 6 -0.544 3.559 -0.824 50 HG12 ILE 6 2HG1 ILE 6 -0.793 1.857 0.798 51 HG13 ILE 6 3HG1 ILE 6 -0.660 0.574 -0.413 52 HG21 ILE 6 1HG2 ILE 6 -2.733 3.266 -1.864 53 HG22 ILE 6 2HG2 ILE 6 -2.588 1.501 -1.763 54 HG23 ILE 6 3HG2 ILE 6 -2.743 2.516 -0.291 55 HD11 ILE 6 1HD1 ILE 6 1.601 0.871 -0.659 56 HD12 ILE 6 2HD1 ILE 6 1.585 2.565 -0.079 57 HD13 ILE 6 3HD1 ILE 6 1.382 1.204 1.070 58 H LYS 7 H LYS 7 -1.160 4.540 -3.607 59 HA LYS 7 HA LYS 7 -3.409 3.373 -4.930 60 HB2 LYS 7 2HB LYS 7 -3.421 5.733 -4.521 61 HB3 LYS 7 3HB LYS 7 -1.941 6.001 -5.429 62 HG2 LYS 7 2HG LYS 7 -3.021 5.614 -7.536 63 HG3 LYS 7 3HG LYS 7 -4.445 4.954 -6.749 64 HD2 LYS 7 2HD LYS 7 -4.910 7.210 -7.577 65 HD3 LYS 7 3HD LYS 7 -5.005 7.161 -5.822 66 HE2 LYS 7 2HE LYS 7 -3.908 9.198 -6.416 67 HE3 LYS 7 3HE LYS 7 -2.709 8.145 -5.678 68 HZ1 LYS 7 1HZ LYS 7 -1.969 7.587 -7.994 69 HZ2 LYS 7 2HZ LYS 7 -1.784 9.168 -7.655 70 HZ3 LYS 7 3HZ LYS 7 -3.032 8.677 -8.589 71 H GLN 8 H GLN 8 -0.405 4.358 -6.470 72 HA GLN 8 HA GLN 8 -0.682 3.571 -9.107 73 HB2 GLN 8 2HB GLN 8 1.351 4.728 -7.999 74 HB3 GLN 8 3HB GLN 8 1.730 3.235 -7.196 75 HG2 GLN 8 2HG GLN 8 2.224 2.133 -9.347 76 HG3 GLN 8 3HG GLN 8 1.733 3.621 -10.156 77 HE21 GLN 8 1HE2 GLN 8 3.884 3.571 -11.183 78 HE22 GLN 8 2HE2 GLN 8 5.245 4.208 -10.276 79 H TYR 9 H TYR 9 0.666 1.538 -6.504 80 HA TYR 9 HA TYR 9 0.717 -0.847 -8.175 81 HB2 TYR 9 2HB TYR 9 1.002 -0.301 -5.267 82 HB3 TYR 9 3HB TYR 9 1.417 -1.815 -6.071 83 HD1 TYR 9 HD1 TYR 9 2.762 -0.500 -8.580 84 HD2 TYR 9 HD2 TYR 9 3.153 0.061 -4.302 85 HE1 TYR 9 HE1 TYR 9 5.095 0.253 -8.892 86 HE2 TYR 9 HE2 TYR 9 5.493 0.611 -4.607 87 HH TYR 9 HH TYR 9 7.054 0.799 -7.871 88 H ARG 10 H ARG 10 -1.528 0.245 -5.554 89 HA ARG 10 HA ARG 10 -3.010 -2.101 -5.496 90 HB2 ARG 10 2HB ARG 10 -3.580 -0.524 -3.909 91 HB3 ARG 10 3HB ARG 10 -3.666 0.808 -5.049 92 HG2 ARG 10 2HG ARG 10 -5.840 -0.261 -5.825 93 HG3 ARG 10 3HG ARG 10 -5.580 -1.327 -4.412 94 HD2 ARG 10 2HD ARG 10 -6.927 0.359 -3.599 95 HD3 ARG 10 3HD ARG 10 -5.345 0.734 -2.998 96 HE ARG 10 HE ARG 10 -5.696 2.781 -3.786 97 HH11 ARG 10 1HH1 ARG 10 -7.242 0.833 -6.325 98 HH12 ARG 10 2HH1 ARG 10 -7.888 2.268 -7.059 99 HH21 ARG 10 1HH2 ARG 10 -7.448 4.266 -6.244 100 HH22 ARG 10 2HH2 ARG 10 -6.521 4.449 -4.769 101 H LYS 11 H LYS 11 -3.615 0.792 -7.611 102 HA LYS 11 HA LYS 11 -5.732 -0.426 -9.031 103 HB2 LYS 11 2HB LYS 11 -5.211 1.040 -10.960 104 HB3 LYS 11 3HB LYS 11 -5.564 1.834 -9.412 105 HG2 LYS 11 2HG LYS 11 -3.434 2.707 -9.463 106 HG3 LYS 11 3HG LYS 11 -2.754 1.281 -10.007 107 HD2 LYS 11 2HD LYS 11 -2.370 2.687 -11.767 108 HD3 LYS 11 3HD LYS 11 -3.542 1.549 -12.309 109 HE2 LYS 11 2HE LYS 11 -5.375 3.212 -11.898 110 HE3 LYS 11 3HE LYS 11 -4.190 4.366 -11.280 111 HZ1 LYS 11 1HZ LYS 11 -4.259 3.319 -14.067 112 HZ2 LYS 11 2HZ LYS 11 -3.164 4.392 -13.500 113 HZ3 LYS 11 3HZ LYS 11 -4.736 4.810 -13.610 114 H GLU 12 H GLU 12 -2.204 -0.394 -9.704 115 HA GLU 12 HA GLU 12 -2.454 -1.610 -12.216 116 HB2 GLU 12 2HB GLU 12 -0.762 -0.113 -11.611 117 HB3 GLU 12 3HB GLU 12 -0.126 -1.179 -10.392 118 HG2 GLU 12 2HG GLU 12 -0.231 -1.815 -13.316 119 HG3 GLU 12 3HG GLU 12 1.114 -0.915 -12.592 120 H LYS 13 H LYS 13 -2.175 -2.971 -8.988 121 HA LYS 13 HA LYS 13 -1.854 -5.781 -9.681 122 HB2 LYS 13 2HB LYS 13 -2.734 -4.415 -7.114 123 HB3 LYS 13 3HB LYS 13 -2.541 -6.105 -7.313 124 HG2 LYS 13 2HG LYS 13 -0.168 -4.373 -7.901 125 HG3 LYS 13 3HG LYS 13 -0.619 -4.723 -6.260 126 HD2 LYS 13 2HD LYS 13 1.189 -6.160 -7.321 127 HD3 LYS 13 3HD LYS 13 -0.103 -6.975 -6.410 128 HE2 LYS 13 2HE LYS 13 -1.275 -7.505 -8.529 129 HE3 LYS 13 3HE LYS 13 0.034 -6.742 -9.440 130 HZ1 LYS 13 1HZ LYS 13 0.330 -9.153 -9.300 131 HZ2 LYS 13 2HZ LYS 13 0.296 -9.122 -7.666 132 HZ3 LYS 13 3HZ LYS 13 1.545 -8.444 -8.471 133 H GLY 14 H GLY 14 -4.578 -3.688 -9.701 134 HA2 GLY 14 2HA GLY 14 -6.769 -4.390 -10.458 135 HA3 GLY 14 3HA GLY 14 -6.399 -6.071 -10.072 136 H TYR 15 H TYR 15 -5.636 -3.555 -7.847 137 HA TYR 15 HA TYR 15 -7.691 -4.523 -5.936 138 HB2 TYR 15 2HB TYR 15 -5.082 -3.037 -5.546 139 HB3 TYR 15 3HB TYR 15 -6.065 -3.632 -4.274 140 HD1 TYR 15 HD1 TYR 15 -6.407 -6.347 -6.200 141 HD2 TYR 15 HD2 TYR 15 -3.157 -4.073 -4.509 142 HE1 TYR 15 HE1 TYR 15 -4.955 -8.372 -6.255 143 HE2 TYR 15 HE2 TYR 15 -1.780 -6.180 -4.357 144 HH TYR 15 HH TYR 15 -2.956 -9.297 -5.643 145 H SER 16 H SER 16 -8.193 -3.029 -4.328 146 HA SER 16 HA SER 16 -8.792 -0.258 -4.979 147 HB2 SER 16 2HB SER 16 -11.080 -0.478 -4.164 148 HB3 SER 16 3HB SER 16 -10.910 -1.681 -5.494 149 HG SER 16 HG SER 16 -11.761 -2.878 -3.902 150 H LEU 17 H LEU 17 -9.858 0.610 -2.782 151 HA LEU 17 HA LEU 17 -7.623 0.400 -1.025 152 HB2 LEU 17 2HB LEU 17 -10.297 1.735 -0.402 153 HB3 LEU 17 3HB LEU 17 -8.806 1.903 0.368 154 HG LEU 17 HG LEU 17 -7.898 2.590 -2.055 155 HD11 LEU 17 1HD1 LEU 17 -10.878 3.098 -2.070 156 HD12 LEU 17 2HD1 LEU 17 -9.942 2.150 -3.252 157 HD13 LEU 17 3HD1 LEU 17 -9.724 3.897 -3.189 158 HD21 LEU 17 1HD2 LEU 17 -7.737 4.025 -0.257 159 HD22 LEU 17 2HD2 LEU 17 -9.508 4.239 -0.093 160 HD23 LEU 17 3HD2 LEU 17 -8.609 4.967 -1.467 161 H SER 18 H SER 18 -10.639 -1.220 -1.201 162 HA SER 18 HA SER 18 -10.487 -2.394 1.542 163 HB2 SER 18 2HB SER 18 -12.612 -1.612 1.032 164 HB3 SER 18 3HB SER 18 -12.531 -2.176 -0.630 165 HG SER 18 HG SER 18 -13.897 -3.493 0.713 166 H GLU 19 H GLU 19 -10.449 -3.497 -1.905 167 HA GLU 19 HA GLU 19 -9.837 -6.270 -1.487 168 HB2 GLU 19 3HB GLU 19 -9.080 -4.265 -3.589 169 HB3 GLU 19 2HB GLU 19 -8.366 -5.798 -3.657 170 HG2 GLU 19 2HG GLU 19 -10.426 -5.264 -5.051 171 HG3 GLU 19 3HG GLU 19 -10.282 -6.861 -4.299 172 H LEU 20 H LEU 20 -7.630 -3.465 -1.944 173 HA LEU 20 HA LEU 20 -5.299 -4.950 -1.662 174 HB2 LEU 20 2HB LEU 20 -5.715 -2.567 -2.581 175 HB3 LEU 20 3HB LEU 20 -5.670 -1.966 -0.999 176 HG LEU 20 HG LEU 20 -3.754 -2.541 -3.087 177 HD11 LEU 20 1HD1 LEU 20 -2.311 -1.123 -1.864 178 HD12 LEU 20 2HD1 LEU 20 -3.222 -1.434 -0.361 179 HD13 LEU 20 3HD1 LEU 20 -3.990 -0.523 -1.706 180 HD21 LEU 20 1HD2 LEU 20 -3.365 -4.643 -2.075 181 HD22 LEU 20 2HD2 LEU 20 -2.998 -3.858 -0.509 182 HD23 LEU 20 3HD2 LEU 20 -1.962 -3.594 -1.937 183 H ALA 21 H ALA 21 -7.160 -3.058 0.777 184 HA ALA 21 HA ALA 21 -5.532 -3.667 2.952 185 HB1 ALA 21 1HB ALA 21 -7.435 -3.224 4.363 186 HB2 ALA 21 2HB ALA 21 -7.383 -2.076 3.007 187 HB3 ALA 21 3HB ALA 21 -8.554 -3.409 2.991 188 H GLU 22 H GLU 22 -8.172 -5.735 1.728 189 HA GLU 22 HA GLU 22 -7.883 -7.657 3.917 190 HB2 GLU 22 2HB GLU 22 -9.264 -9.169 2.690 191 HB3 GLU 22 3HB GLU 22 -10.014 -7.557 2.707 192 HG2 GLU 22 2HG GLU 22 -9.782 -7.264 0.443 193 HG3 GLU 22 3HG GLU 22 -8.418 -8.363 0.413 194 H LYS 23 H LYS 23 -6.359 -7.256 0.791 195 HA LYS 23 HA LYS 23 -5.112 -9.912 0.708 196 HB2 LYS 23 2HB LYS 23 -4.627 -7.311 -0.800 197 HB3 LYS 23 3HB LYS 23 -3.821 -8.850 -1.186 198 HG2 LYS 23 2HG LYS 23 -5.932 -9.906 -1.722 199 HG3 LYS 23 3HG LYS 23 -6.821 -8.550 -1.149 200 HD2 LYS 23 2HD LYS 23 -5.577 -7.127 -3.051 201 HD3 LYS 23 3HD LYS 23 -5.292 -8.706 -3.752 202 HE2 LYS 23 2HE LYS 23 -8.032 -7.740 -2.879 203 HE3 LYS 23 3HE LYS 23 -7.424 -7.675 -4.534 204 HZ1 LYS 23 1HZ LYS 23 -8.779 -9.639 -4.226 205 HZ2 LYS 23 2HZ LYS 23 -7.909 -10.142 -2.949 206 HZ3 LYS 23 3HZ LYS 23 -7.240 -10.138 -4.446 207 H ALA 24 H ALA 24 -3.896 -6.593 1.207 208 HA ALA 24 HA ALA 24 -1.321 -6.964 2.017 209 HB1 ALA 24 1HB ALA 24 -2.334 -4.838 1.586 210 HB2 ALA 24 2HB ALA 24 -3.542 -5.070 2.851 211 HB3 ALA 24 3HB ALA 24 -1.832 -4.770 3.313 212 H GLY 25 H GLY 25 -4.304 -7.189 3.988 213 HA2 GLY 25 2HA GLY 25 -4.531 -8.232 6.124 214 HA3 GLY 25 3HA GLY 25 -2.780 -8.238 6.325 215 H VAL 26 H VAL 26 -4.888 -5.533 5.469 216 HA VAL 26 HA VAL 26 -3.975 -3.996 7.890 217 HB VAL 26 HB VAL 26 -3.465 -2.131 6.644 218 HG11 VAL 26 1HG1 VAL 26 -1.411 -3.008 5.571 219 HG12 VAL 26 2HG1 VAL 26 -1.845 -3.677 7.216 220 HG13 VAL 26 3HG1 VAL 26 -2.061 -4.661 5.740 221 HG21 VAL 26 1HG2 VAL 26 -3.284 -2.214 4.257 222 HG22 VAL 26 2HG2 VAL 26 -4.037 -3.849 4.334 223 HG23 VAL 26 3HG2 VAL 26 -4.962 -2.376 4.845 224 H ALA 27 H ALA 27 -5.215 -1.831 7.604 225 HA ALA 27 HA ALA 27 -8.150 -2.470 7.665 226 HB1 ALA 27 1HB ALA 27 -6.574 -0.001 8.502 227 HB2 ALA 27 2HB ALA 27 -8.307 -0.304 8.817 228 HB3 ALA 27 3HB ALA 27 -7.051 -1.335 9.563 229 H LYS 28 H LYS 28 -9.615 -1.598 5.982 230 HA LYS 28 HA LYS 28 -8.437 -0.378 3.636 231 HB2 LYS 28 2HB LYS 28 -10.771 -1.226 3.524 232 HB3 LYS 28 3HB LYS 28 -11.303 0.038 4.653 233 HG2 LYS 28 2HG LYS 28 -9.833 0.931 2.169 234 HG3 LYS 28 3HG LYS 28 -11.439 0.355 2.009 235 HD2 LYS 28 2HD LYS 28 -12.248 1.996 3.698 236 HD3 LYS 28 3HD LYS 28 -10.663 2.764 3.412 237 HE2 LYS 28 2HE LYS 28 -11.062 3.172 1.151 238 HE3 LYS 28 3HE LYS 28 -12.438 2.084 1.086 239 HZ1 LYS 28 1HZ LYS 28 -12.385 4.634 2.629 240 HZ2 LYS 28 2HZ LYS 28 -13.669 3.634 2.504 241 HZ3 LYS 28 3HZ LYS 28 -13.133 4.429 1.188 242 H SER 29 H SER 29 -9.765 0.994 6.599 243 HA SER 29 HA SER 29 -9.696 3.624 5.790 244 HB2 SER 29 2HB SER 29 -10.787 2.869 7.860 245 HB3 SER 29 3HB SER 29 -9.210 2.491 8.567 246 HG SER 29 HG SER 29 -10.283 5.050 7.926 247 H TYR 30 H TYR 30 -7.000 1.526 6.632 248 HA TYR 30 HA TYR 30 -4.944 3.592 6.766 249 HB2 TYR 30 2HB TYR 30 -4.877 0.589 6.586 250 HB3 TYR 30 3HB TYR 30 -3.821 1.334 5.495 251 HD1 TYR 30 HD1 TYR 30 -2.240 3.078 6.100 252 HD2 TYR 30 HD2 TYR 30 -4.108 0.541 9.026 253 HE1 TYR 30 HE1 TYR 30 -0.361 3.472 7.541 254 HE2 TYR 30 HE2 TYR 30 -2.219 1.002 10.594 255 HH TYR 30 HH TYR 30 -0.311 2.207 10.957 256 H LEU 31 H LEU 31 -5.969 1.399 4.056 257 HA LEU 31 HA LEU 31 -4.186 2.742 2.384 258 HB2 LEU 31 3HB LEU 31 -6.647 1.113 1.652 259 HB3 LEU 31 2HB LEU 31 -5.483 1.710 0.457 260 HG LEU 31 HG LEU 31 -5.012 -0.563 0.857 261 HD11 LEU 31 1HD1 LEU 31 -2.854 0.549 0.761 262 HD12 LEU 31 2HD1 LEU 31 -2.771 -0.683 2.046 263 HD13 LEU 31 3HD1 LEU 31 -2.970 1.014 2.471 264 HD21 LEU 31 1HD2 LEU 31 -4.518 -0.184 3.796 265 HD22 LEU 31 2HD2 LEU 31 -4.889 -1.633 2.806 266 HD23 LEU 31 3HD2 LEU 31 -6.163 -0.476 3.166 267 H SER 32 H SER 32 -7.693 3.411 2.903 268 HA SER 32 HA SER 32 -7.837 5.592 1.051 269 HB2 SER 32 2HB SER 32 -9.719 6.427 2.286 270 HB3 SER 32 3HB SER 32 -9.825 4.689 2.004 271 HG SER 32 HG SER 32 -9.382 6.085 4.413 272 H SER 33 H SER 33 -6.866 5.668 4.575 273 HA SER 33 HA SER 33 -6.385 8.500 4.455 274 HB2 SER 33 2HB SER 33 -6.966 7.276 6.498 275 HB3 SER 33 3HB SER 33 -5.423 6.424 6.424 276 HG SER 33 HG SER 33 -5.947 9.182 6.910 277 H ILE 34 H ILE 34 -4.020 5.730 4.014 278 HA ILE 34 HA ILE 34 -1.708 7.148 3.574 279 HB ILE 34 HB ILE 34 -2.888 4.756 2.053 280 HG12 ILE 34 2HG1 ILE 34 -2.392 4.270 4.417 281 HG13 ILE 34 3HG1 ILE 34 -1.442 3.308 3.361 282 HG21 ILE 34 1HG2 ILE 34 -0.453 4.369 1.283 283 HG22 ILE 34 2HG2 ILE 34 -1.369 5.628 0.496 284 HG23 ILE 34 3HG2 ILE 34 -0.210 6.094 1.766 285 HD11 ILE 34 1HD1 ILE 34 0.538 4.560 3.698 286 HD12 ILE 34 2HD1 ILE 34 -0.352 5.824 4.554 287 HD13 ILE 34 3HD1 ILE 34 -0.181 4.218 5.288 288 H GLU 35 H GLU 35 -4.180 6.357 1.134 289 HA GLU 35 HA GLU 35 -3.130 8.056 -0.910 290 HB2 GLU 35 2HB GLU 35 -5.899 6.846 -0.574 291 HB3 GLU 35 3HB GLU 35 -5.337 7.700 -2.023 292 HG2 GLU 35 2HG GLU 35 -3.477 6.113 -2.280 293 HG3 GLU 35 3HG GLU 35 -3.977 5.229 -0.854 294 H ARG 36 H ARG 36 -5.183 8.971 1.812 295 HA ARG 36 HA ARG 36 -5.402 11.755 0.814 296 HB2 ARG 36 2HB ARG 36 -5.806 10.687 3.633 297 HB3 ARG 36 3HB ARG 36 -6.207 12.288 3.046 298 HG2 ARG 36 2HG ARG 36 -7.562 9.690 2.210 299 HG3 ARG 36 3HG ARG 36 -8.187 10.889 3.302 300 HD2 ARG 36 2HD ARG 36 -9.291 11.225 1.223 301 HD3 ARG 36 3HD ARG 36 -8.105 12.539 1.397 302 HE ARG 36 HE ARG 36 -6.883 10.400 -0.009 303 HH11 ARG 36 1HH1 ARG 36 -9.423 12.694 -0.721 304 HH12 ARG 36 2HH1 ARG 36 -8.899 12.890 -2.373 305 HH21 ARG 36 1HH2 ARG 36 -6.147 10.832 -2.008 306 HH22 ARG 36 2HH2 ARG 36 -7.113 11.782 -3.113 307 H ASN 37 H ASN 37 -3.630 10.571 3.664 308 HA ASN 37 HA ASN 37 -1.330 12.344 3.046 309 HB2 ASN 37 2HB ASN 37 -3.182 12.716 5.445 310 HB3 ASN 37 3HB ASN 37 -1.594 13.452 5.310 311 HD21 ASN 37 1HD2 ASN 37 -4.653 15.362 3.626 312 HD22 ASN 37 2HD2 ASN 37 -4.872 13.994 4.709 313 H LEU 38 H LEU 38 -2.521 9.578 4.858 314 HA LEU 38 HA LEU 38 -1.108 9.589 7.180 315 HB2 LEU 38 2HB LEU 38 -2.897 7.986 6.224 316 HB3 LEU 38 3HB LEU 38 -1.602 7.063 5.591 317 HG LEU 38 HG LEU 38 -2.094 7.533 8.502 318 HD11 LEU 38 1HD1 LEU 38 -2.711 5.230 6.677 319 HD12 LEU 38 2HD1 LEU 38 -3.814 6.182 7.700 320 HD13 LEU 38 3HD1 LEU 38 -2.683 5.071 8.446 321 HD21 LEU 38 1HD2 LEU 38 -0.559 5.521 8.802 322 HD22 LEU 38 2HD2 LEU 38 0.229 7.023 8.412 323 HD23 LEU 38 3HD2 LEU 38 -0.018 5.803 7.134 324 H GLN 39 H GLN 39 0.143 8.394 4.094 325 HA GLN 39 HA GLN 39 2.503 7.331 5.244 326 HB2 GLN 39 2HB GLN 39 1.215 6.946 2.986 327 HB3 GLN 39 3HB GLN 39 2.292 8.129 2.306 328 HG2 GLN 39 2HG GLN 39 3.102 5.543 3.740 329 HG3 GLN 39 3HG GLN 39 2.911 5.682 1.998 330 HE21 GLN 39 1HE2 GLN 39 5.216 5.643 4.342 331 HE22 GLN 39 2HE2 GLN 39 6.417 6.661 3.571 332 H THR 40 H THR 40 1.832 10.507 5.197 333 HA THR 40 HA THR 40 4.375 11.776 5.183 334 HB THR 40 HB THR 40 2.213 12.886 5.589 335 HG1 THR 40 HG1 THR 40 4.013 13.949 6.350 336 HG21 THR 40 1HG2 THR 40 1.042 12.746 7.698 337 HG22 THR 40 2HG2 THR 40 2.257 11.634 8.374 338 HG23 THR 40 3HG2 THR 40 1.197 11.107 7.064 339 H ASN 41 H ASN 41 3.092 9.287 7.377 340 HA ASN 41 HA ASN 41 5.753 9.175 8.718 341 HB2 ASN 41 2HB ASN 41 4.071 10.167 10.221 342 HB3 ASN 41 3HB ASN 41 3.044 8.745 10.020 343 HD21 ASN 41 1HD2 ASN 41 6.025 9.982 11.475 344 HD22 ASN 41 2HD2 ASN 41 6.296 8.573 12.489 345 HA PRO 42 HA PRO 42 5.263 5.026 6.996 346 HB2 PRO 42 2HB PRO 42 7.787 4.077 7.340 347 HB3 PRO 42 3HB PRO 42 7.385 5.349 6.150 348 HG2 PRO 42 2HG PRO 42 8.551 5.698 8.926 349 HG3 PRO 42 3HG PRO 42 9.084 6.452 7.393 350 HD2 PRO 42 2HD PRO 42 7.420 7.706 9.192 351 HD3 PRO 42 3HD PRO 42 7.326 7.993 7.427 352 H SER 43 H SER 43 3.986 3.661 8.143 353 HA SER 43 HA SER 43 4.920 2.384 10.686 354 HB2 SER 43 2HB SER 43 2.564 2.846 10.563 355 HB3 SER 43 3HB SER 43 2.435 1.985 9.017 356 HG SER 43 HG SER 43 1.884 0.740 10.956 357 H ILE 44 H ILE 44 6.784 1.339 10.153 358 HA ILE 44 HA ILE 44 7.339 0.158 7.661 359 HB ILE 44 HB ILE 44 8.469 -0.667 10.350 360 HG12 ILE 44 2HG1 ILE 44 8.853 1.720 9.974 361 HG13 ILE 44 3HG1 ILE 44 10.343 0.802 9.871 362 HG21 ILE 44 1HG2 ILE 44 9.431 -1.211 7.505 363 HG22 ILE 44 2HG2 ILE 44 10.444 -1.418 8.952 364 HG23 ILE 44 3HG2 ILE 44 8.991 -2.394 8.749 365 HD11 ILE 44 1HD1 ILE 44 10.324 0.973 7.402 366 HD12 ILE 44 2HD1 ILE 44 8.801 1.887 7.481 367 HD13 ILE 44 3HD1 ILE 44 10.278 2.563 8.178 368 H GLN 45 H GLN 45 5.787 -1.355 10.499 369 HA GLN 45 HA GLN 45 5.666 -4.011 9.560 370 HB2 GLN 45 2HB GLN 45 3.755 -2.477 11.375 371 HB3 GLN 45 3HB GLN 45 3.709 -4.212 11.089 372 HG2 GLN 45 2HG GLN 45 4.870 -4.041 13.092 373 HG3 GLN 45 3HG GLN 45 6.127 -4.337 11.902 374 HE21 GLN 45 1HE2 GLN 45 7.323 -3.482 13.982 375 HE22 GLN 45 2HE2 GLN 45 7.585 -1.742 14.013 376 H PHE 46 H PHE 46 3.264 -1.419 9.173 377 HA PHE 46 HA PHE 46 1.280 -2.881 7.532 378 HB2 PHE 46 2HB PHE 46 0.495 -0.891 8.622 379 HB3 PHE 46 3HB PHE 46 1.933 0.018 8.191 380 HD1 PHE 46 HD1 PHE 46 2.309 0.950 5.949 381 HD2 PHE 46 HD2 PHE 46 -1.341 -1.069 7.002 382 HE1 PHE 46 HE1 PHE 46 1.366 1.547 3.727 383 HE2 PHE 46 HE2 PHE 46 -2.350 -0.403 4.848 384 HZ PHE 46 HZ PHE 46 -1.002 1.002 3.240 385 H LEU 47 H LEU 47 4.145 -0.955 6.885 386 HA LEU 47 HA LEU 47 3.715 -0.917 4.001 387 HB2 LEU 47 2HB LEU 47 6.182 -0.488 5.758 388 HB3 LEU 47 3HB LEU 47 6.292 -0.433 4.020 389 HG LEU 47 HG LEU 47 4.495 1.486 5.579 390 HD11 LEU 47 1HD1 LEU 47 6.751 1.742 6.485 391 HD12 LEU 47 2HD1 LEU 47 6.366 3.110 5.439 392 HD13 LEU 47 3HD1 LEU 47 7.435 1.828 4.838 393 HD21 LEU 47 1HD2 LEU 47 5.898 1.589 2.889 394 HD22 LEU 47 2HD2 LEU 47 5.036 2.966 3.597 395 HD23 LEU 47 3HD2 LEU 47 4.129 1.504 3.193 396 H GLU 48 H GLU 48 5.589 -3.100 6.182 397 HA GLU 48 HA GLU 48 6.500 -4.853 4.200 398 HB2 GLU 48 2HB GLU 48 5.389 -6.132 6.688 399 HB3 GLU 48 3HB GLU 48 6.770 -6.551 5.703 400 HG2 GLU 48 2HG GLU 48 7.778 -4.294 6.680 401 HG3 GLU 48 3HG GLU 48 6.470 -4.473 7.827 402 H LYS 49 H LYS 49 3.402 -4.947 5.985 403 HA LYS 49 HA LYS 49 2.116 -7.139 4.828 404 HB2 LYS 49 2HB LYS 49 0.917 -4.457 5.675 405 HB3 LYS 49 3HB LYS 49 0.001 -5.821 5.488 406 HG2 LYS 49 2HG LYS 49 2.104 -6.602 7.283 407 HG3 LYS 49 3HG LYS 49 1.679 -4.932 7.664 408 HD2 LYS 49 2HD LYS 49 0.358 -6.262 9.100 409 HD3 LYS 49 3HD LYS 49 -0.717 -5.613 7.866 410 HE2 LYS 49 2HE LYS 49 -1.309 -7.907 8.273 411 HE3 LYS 49 3HE LYS 49 -0.628 -7.795 6.652 412 HZ1 LYS 49 1HZ LYS 49 0.245 -9.706 7.889 413 HZ2 LYS 49 2HZ LYS 49 0.833 -8.745 9.068 414 HZ3 LYS 49 3HZ LYS 49 1.468 -8.681 7.561 415 H VAL 50 H VAL 50 1.557 -3.819 3.699 416 HA VAL 50 HA VAL 50 0.160 -4.888 1.259 417 HB VAL 50 HB VAL 50 -1.040 -3.151 2.137 418 HG11 VAL 50 1HG1 VAL 50 0.112 -0.904 2.447 419 HG12 VAL 50 2HG1 VAL 50 0.149 -2.216 3.658 420 HG13 VAL 50 3HG1 VAL 50 1.596 -1.911 2.616 421 HG21 VAL 50 1HG2 VAL 50 -0.670 -3.027 -0.301 422 HG22 VAL 50 2HG2 VAL 50 -1.169 -1.505 0.489 423 HG23 VAL 50 3HG2 VAL 50 0.513 -1.713 0.028 424 H SER 51 H SER 51 3.333 -3.297 1.866 425 HA SER 51 HA SER 51 3.973 -3.015 -0.971 426 HB2 SER 51 2HB SER 51 6.247 -2.940 -0.414 427 HB3 SER 51 3HB SER 51 5.442 -2.106 0.893 428 HG SER 51 HG SER 51 5.742 -3.801 2.183 429 H ALA 52 H ALA 52 4.263 -5.667 1.348 430 HA ALA 52 HA ALA 52 5.478 -7.606 -0.404 431 HB1 ALA 52 1HB ALA 52 5.365 -8.033 1.975 432 HB2 ALA 52 2HB ALA 52 3.592 -7.932 1.969 433 HB3 ALA 52 3HB ALA 52 4.415 -9.293 1.164 434 H VAL 53 H VAL 53 2.047 -6.881 0.293 435 HA VAL 53 HA VAL 53 1.053 -8.678 -1.716 436 HB VAL 53 HB VAL 53 0.050 -7.212 0.398 437 HG11 VAL 53 1HG1 VAL 53 -1.970 -6.098 -0.314 438 HG12 VAL 53 2HG1 VAL 53 -0.576 -5.225 -0.907 439 HG13 VAL 53 3HG1 VAL 53 -1.541 -6.266 -2.013 440 HG21 VAL 53 1HG2 VAL 53 -0.524 -9.482 -0.526 441 HG22 VAL 53 2HG2 VAL 53 -1.753 -8.452 0.161 442 HG23 VAL 53 3HG2 VAL 53 -1.635 -8.613 -1.645 443 H LEU 54 H LEU 54 1.968 -5.296 -2.009 444 HA LEU 54 HA LEU 54 0.923 -5.015 -4.694 445 HB2 LEU 54 2HB LEU 54 2.725 -3.243 -2.956 446 HB3 LEU 54 3HB LEU 54 2.231 -2.825 -4.537 447 HG LEU 54 HG LEU 54 0.364 -3.405 -2.259 448 HD11 LEU 54 1HD1 LEU 54 1.611 -1.475 -1.798 449 HD12 LEU 54 2HD1 LEU 54 -0.016 -0.932 -2.275 450 HD13 LEU 54 3HD1 LEU 54 1.385 -0.796 -3.365 451 HD21 LEU 54 1HD2 LEU 54 -1.414 -2.166 -3.893 452 HD22 LEU 54 2HD2 LEU 54 -1.053 -3.857 -4.146 453 HD23 LEU 54 3HD2 LEU 54 -0.275 -2.660 -5.140 454 H ASP 55 H ASP 55 3.432 -6.885 -3.843 455 HA ASP 55 HA ASP 55 5.221 -7.764 -4.908 456 HB2 ASP 55 2HB ASP 55 4.135 -6.347 -7.346 457 HB3 ASP 55 3HB ASP 55 5.609 -7.223 -7.391 458 H VAL 56 H VAL 56 5.418 -5.533 -3.349 459 HA VAL 56 HA VAL 56 7.618 -3.840 -4.453 460 HB VAL 56 HB VAL 56 4.784 -3.471 -3.613 461 HG11 VAL 56 1HG1 VAL 56 5.841 -1.852 -2.095 462 HG12 VAL 56 2HG1 VAL 56 6.515 -1.057 -3.532 463 HG13 VAL 56 3HG1 VAL 56 4.737 -1.266 -3.315 464 HG21 VAL 56 1HG2 VAL 56 5.629 -3.712 -5.956 465 HG22 VAL 56 2HG2 VAL 56 4.699 -2.263 -5.630 466 HG23 VAL 56 3HG2 VAL 56 6.496 -2.165 -5.718 467 H SER 57 H SER 57 8.561 -2.319 -2.622 468 HA SER 57 HA SER 57 9.212 -4.244 -0.461 469 HB2 SER 57 2HB SER 57 11.220 -2.680 -2.097 470 HB3 SER 57 3HB SER 57 11.546 -3.994 -0.962 471 HG SER 57 HG SER 57 10.425 -4.116 -3.548 472 H VAL 58 H VAL 58 7.701 -2.277 0.509 473 HA VAL 58 HA VAL 58 7.509 -0.987 2.319 474 HB VAL 58 HB VAL 58 10.235 -2.153 3.092 475 HG11 VAL 58 1HG1 VAL 58 9.460 -0.192 4.608 476 HG12 VAL 58 2HG1 VAL 58 8.130 -1.290 5.081 477 HG13 VAL 58 3HG1 VAL 58 9.786 -1.751 5.376 478 HG21 VAL 58 1HG2 VAL 58 8.859 -3.768 4.402 479 HG22 VAL 58 2HG2 VAL 58 7.410 -2.993 3.734 480 HG23 VAL 58 3HG2 VAL 58 8.530 -3.893 2.667 481 H HIS 59 H HIS 59 10.959 -0.468 1.395 482 HA HIS 59 HA HIS 59 10.943 2.396 1.956 483 HB2 HIS 59 2HB HIS 59 12.621 2.267 -0.153 484 HB3 HIS 59 3HB HIS 59 13.055 1.969 1.476 485 HD1 HIS 59 HD1 HIS 59 14.504 -0.071 1.807 486 HD2 HIS 59 HD2 HIS 59 12.076 -0.221 -1.633 487 HE1 HIS 59 HE1 HIS 59 15.153 -2.212 0.552 488 H THR 60 H THR 60 10.221 0.381 -0.828 489 HA THR 60 HA THR 60 10.126 2.229 -2.889 490 HB THR 60 HB THR 60 8.088 0.027 -2.418 491 HG1 THR 60 HG1 THR 60 10.526 -0.309 -3.764 492 HG21 THR 60 1HG2 THR 60 7.532 1.342 -4.262 493 HG22 THR 60 2HG2 THR 60 8.270 -0.133 -4.933 494 HG23 THR 60 3HG2 THR 60 9.221 1.409 -4.821 495 H LEU 61 H LEU 61 7.458 1.533 -0.628 496 HA LEU 61 HA LEU 61 5.526 3.270 -1.805 497 HB2 LEU 61 2HB LEU 61 5.898 2.317 0.987 498 HB3 LEU 61 3HB LEU 61 4.378 2.863 0.316 499 HG LEU 61 HG LEU 61 5.908 0.317 -0.585 500 HD11 LEU 61 1HD1 LEU 61 3.854 -0.750 0.429 501 HD12 LEU 61 2HD1 LEU 61 3.546 0.785 1.261 502 HD13 LEU 61 3HD1 LEU 61 5.113 -0.063 1.490 503 HD21 LEU 61 1HD2 LEU 61 4.767 1.233 -2.489 504 HD22 LEU 61 2HD2 LEU 61 3.378 1.712 -1.540 505 HD23 LEU 61 3HD2 LEU 61 3.683 -0.016 -1.825 506 H LEU 62 H LEU 62 7.930 3.888 0.807 507 HA LEU 62 HA LEU 62 7.018 6.669 1.084 508 HB2 LEU 62 2HB LEU 62 8.286 6.749 3.017 509 HB3 LEU 62 3HB LEU 62 7.752 5.095 2.949 510 HG LEU 62 HG LEU 62 10.205 4.877 1.698 511 HD11 LEU 62 1HD1 LEU 62 10.906 7.151 2.038 512 HD12 LEU 62 2HD1 LEU 62 11.858 6.056 3.031 513 HD13 LEU 62 3HD1 LEU 62 10.569 7.019 3.793 514 HD21 LEU 62 1HD2 LEU 62 10.942 3.900 3.795 515 HD22 LEU 62 2HD2 LEU 62 9.273 3.456 3.352 516 HD23 LEU 62 3HD2 LEU 62 9.571 4.668 4.635 517 H ASP 63 H ASP 63 9.445 4.970 -0.626 518 HA ASP 63 HA ASP 63 11.266 7.266 -0.871 519 HB2 ASP 63 2HB ASP 63 12.127 5.402 0.280 520 HB3 ASP 63 3HB ASP 63 11.661 4.282 -1.044 521 H GLU 64 H GLU 64 12.710 7.134 -2.628 522 HA GLU 64 HA GLU 64 11.343 7.319 -5.290 523 HB2 GLU 64 2HB GLU 64 12.790 9.354 -5.524 524 HB3 GLU 64 3HB GLU 64 11.601 9.449 -4.225 525 HG2 GLU 64 2HG GLU 64 13.349 8.884 -2.534 526 HG3 GLU 64 3HG GLU 64 14.555 8.793 -3.829 527 H LYS 65 H LYS 65 13.843 5.727 -3.743 528 HA LYS 65 HA LYS 65 15.400 5.161 -6.238 529 HB2 LYS 65 2HB LYS 65 17.468 5.210 -4.881 530 HB3 LYS 65 3HB LYS 65 16.612 6.756 -4.825 531 HG2 LYS 65 2HG LYS 65 15.498 5.781 -2.740 532 HG3 LYS 65 3HG LYS 65 16.785 4.636 -2.628 533 HD2 LYS 65 2HD LYS 65 17.055 7.680 -2.648 534 HD3 LYS 65 3HD LYS 65 16.668 6.755 -1.190 535 HE2 LYS 65 2HE LYS 65 19.142 6.145 -2.902 536 HE3 LYS 65 3HE LYS 65 19.173 7.438 -1.697 537 HZ1 LYS 65 1HZ LYS 65 18.655 5.853 0.026 538 HZ2 LYS 65 2HZ LYS 65 19.961 5.296 -0.783 539 HZ3 LYS 65 3HZ LYS 65 18.504 4.618 -1.032 540 H HIS 66 H HIS 66 13.971 3.817 -3.318 541 HA HIS 66 HA HIS 66 13.463 1.841 -2.640 542 HB2 HIS 66 2HB HIS 66 12.753 0.099 -4.188 543 HB3 HIS 66 3HB HIS 66 12.148 1.685 -4.607 544 HD1 HIS 66 HD1 HIS 66 12.397 2.326 -7.102 545 HD2 HIS 66 HD2 HIS 66 15.098 -0.639 -5.818 546 HE1 HIS 66 HE1 HIS 66 13.650 1.549 -9.179 547 H GLU 67 H GLU 67 16.148 2.528 -2.431 548 HA GLU 67 HA GLU 67 17.368 -0.086 -1.863 549 HB2 GLU 67 2HB GLU 67 18.624 2.000 -3.700 550 HB3 GLU 67 3HB GLU 67 19.561 0.764 -2.879 551 HG2 GLU 67 2HG GLU 67 17.395 0.250 -4.948 552 HG3 GLU 67 3HG GLU 67 19.128 0.197 -5.210 553 H THR 68 H THR 68 18.763 -0.000 -0.176 554 HA THR 68 HA THR 68 19.544 0.551 1.803 555 HB THR 68 HB THR 68 21.218 2.157 1.996 556 HG1 THR 68 HG1 THR 68 20.326 4.023 1.407 557 HG21 THR 68 1HG2 THR 68 22.568 1.902 0.024 558 HG22 THR 68 2HG2 THR 68 21.154 1.514 -0.974 559 HG23 THR 68 3HG2 THR 68 21.685 0.391 0.303 560 H GLU 69 H GLU 69 16.958 2.352 0.963 561 HA GLU 69 HA GLU 69 16.668 3.767 3.556 562 HB2 GLU 69 2HB GLU 69 14.705 3.497 1.242 563 HB3 GLU 69 3HB GLU 69 14.473 4.484 2.676 564 HG2 GLU 69 2HG GLU 69 16.394 4.883 0.390 565 HG3 GLU 69 3HG GLU 69 15.139 5.962 0.985 Start of MODEL 5 1 H1 MET 1 1H MET 1 8.566 9.414 1.310 2 H2 MET 1 2H MET 1 8.359 10.223 2.727 3 H3 MET 1 3H MET 1 8.598 11.049 1.330 4 HA MET 1 HA MET 1 6.235 9.398 1.960 5 HB2 MET 1 2HB MET 1 5.977 11.341 3.231 6 HB3 MET 1 3HB MET 1 6.722 12.376 2.018 7 HG2 MET 1 2HG MET 1 4.329 12.784 2.236 8 HG3 MET 1 3HG MET 1 4.782 12.313 0.607 9 HE1 MET 1 1HE MET 1 2.147 12.071 0.114 10 HE2 MET 1 2HE MET 1 1.073 11.012 1.056 11 HE3 MET 1 3HE MET 1 1.774 12.461 1.812 12 H ILE 2 H ILE 2 5.322 8.516 0.267 13 HA ILE 2 HA ILE 2 5.010 10.181 -2.187 14 HB ILE 2 HB ILE 2 5.336 7.198 -2.368 15 HG12 ILE 2 2HG1 ILE 2 7.528 8.263 -1.967 16 HG13 ILE 2 3HG1 ILE 2 7.364 7.391 -3.475 17 HG21 ILE 2 1HG2 ILE 2 3.764 7.931 -4.002 18 HG22 ILE 2 2HG2 ILE 2 4.759 9.338 -4.422 19 HG23 ILE 2 3HG2 ILE 2 5.306 7.708 -4.839 20 HD11 ILE 2 1HD1 ILE 2 7.170 9.419 -4.744 21 HD12 ILE 2 2HD1 ILE 2 7.077 10.399 -3.266 22 HD13 ILE 2 3HD1 ILE 2 8.589 9.554 -3.684 23 H GLY 3 H GLY 3 3.754 7.354 -0.364 24 HA2 GLY 3 2HA GLY 3 1.630 6.790 0.339 25 HA3 GLY 3 3HA GLY 3 1.042 8.389 -0.123 26 H GLN 4 H GLN 4 1.179 8.680 -2.696 27 HA GLN 4 HA GLN 4 -0.772 6.947 -3.772 28 HB2 GLN 4 2HB GLN 4 -0.606 8.190 -5.689 29 HB3 GLN 4 3HB GLN 4 -0.370 9.345 -4.395 30 HG2 GLN 4 2HG GLN 4 1.977 9.558 -4.910 31 HG3 GLN 4 3HG GLN 4 1.968 8.136 -5.963 32 HE21 GLN 4 1HE2 GLN 4 2.998 10.539 -6.950 33 HE22 GLN 4 2HE2 GLN 4 1.886 11.144 -8.169 34 H ARG 5 H ARG 5 2.433 6.133 -3.236 35 HA ARG 5 HA ARG 5 2.847 4.323 -5.483 36 HB2 ARG 5 2HB ARG 5 4.239 4.965 -2.995 37 HB3 ARG 5 3HB ARG 5 3.740 3.349 -2.814 38 HG2 ARG 5 2HG ARG 5 5.826 3.046 -3.837 39 HG3 ARG 5 3HG ARG 5 4.733 2.932 -5.163 40 HD2 ARG 5 2HD ARG 5 5.041 5.553 -5.252 41 HD3 ARG 5 3HD ARG 5 6.524 5.235 -4.368 42 HE ARG 5 HE ARG 5 5.804 4.307 -7.123 43 HH11 ARG 5 1HH1 ARG 5 9.102 3.788 -7.960 44 HH12 ARG 5 2HH1 ARG 5 7.461 3.884 -8.522 45 HH21 ARG 5 1HH2 ARG 5 8.341 4.434 -4.667 46 HH22 ARG 5 2HH2 ARG 5 9.597 4.204 -5.850 47 H ILE 6 H ILE 6 1.224 3.997 -2.213 48 HA ILE 6 HA ILE 6 0.332 1.349 -2.707 49 HB ILE 6 HB ILE 6 -0.541 3.546 -0.819 50 HG12 ILE 6 2HG1 ILE 6 -0.800 1.838 0.791 51 HG13 ILE 6 3HG1 ILE 6 -0.677 0.562 -0.431 52 HG21 ILE 6 1HG2 ILE 6 -2.612 1.525 -1.773 53 HG22 ILE 6 2HG2 ILE 6 -2.751 2.522 -0.288 54 HG23 ILE 6 3HG2 ILE 6 -2.740 3.292 -1.850 55 HD11 ILE 6 1HD1 ILE 6 1.375 1.175 1.047 56 HD12 ILE 6 2HD1 ILE 6 1.586 0.857 -0.685 57 HD13 ILE 6 3HD1 ILE 6 1.576 2.545 -0.090 58 H LYS 7 H LYS 7 -1.185 4.548 -3.609 59 HA LYS 7 HA LYS 7 -3.435 3.392 -4.935 60 HB2 LYS 7 2HB LYS 7 -3.429 5.751 -4.518 61 HB3 LYS 7 3HB LYS 7 -1.956 6.009 -5.443 62 HG2 LYS 7 2HG LYS 7 -3.054 5.631 -7.536 63 HG3 LYS 7 3HG LYS 7 -4.472 4.969 -6.740 64 HD2 LYS 7 2HD LYS 7 -4.941 7.228 -7.563 65 HD3 LYS 7 3HD LYS 7 -5.029 7.173 -5.808 66 HE2 LYS 7 2HE LYS 7 -3.938 9.213 -6.399 67 HE3 LYS 7 3HE LYS 7 -2.737 8.158 -5.666 68 HZ1 LYS 7 1HZ LYS 7 -1.816 9.189 -7.642 69 HZ2 LYS 7 2HZ LYS 7 -3.067 8.700 -8.576 70 HZ3 LYS 7 3HZ LYS 7 -2.001 7.608 -7.987 71 H GLN 8 H GLN 8 -0.429 4.367 -6.475 72 HA GLN 8 HA GLN 8 -0.710 3.574 -9.110 73 HB2 GLN 8 2HB GLN 8 1.326 4.733 -8.002 74 HB3 GLN 8 3HB GLN 8 1.702 3.243 -7.196 75 HG2 GLN 8 2HG GLN 8 2.201 2.133 -9.339 76 HG3 GLN 8 3HG GLN 8 1.710 3.616 -10.155 77 HE21 GLN 8 1HE2 GLN 8 3.879 3.496 -11.174 78 HE22 GLN 8 2HE2 GLN 8 5.231 4.167 -10.281 79 H TYR 9 H TYR 9 0.647 1.543 -6.508 80 HA TYR 9 HA TYR 9 0.693 -0.839 -8.182 81 HB2 TYR 9 2HB TYR 9 0.989 -0.301 -5.272 82 HB3 TYR 9 3HB TYR 9 1.404 -1.811 -6.085 83 HD1 TYR 9 HD1 TYR 9 2.740 -0.505 -8.596 84 HD2 TYR 9 HD2 TYR 9 3.133 0.088 -4.324 85 HE1 TYR 9 HE1 TYR 9 5.070 0.257 -8.915 86 HE2 TYR 9 HE2 TYR 9 5.471 0.633 -4.631 87 HH TYR 9 HH TYR 9 7.022 0.835 -7.902 88 H ARG 10 H ARG 10 -1.548 0.260 -5.560 89 HA ARG 10 HA ARG 10 -3.030 -2.083 -5.481 90 HB2 ARG 10 2HB ARG 10 -3.588 -0.486 -3.906 91 HB3 ARG 10 3HB ARG 10 -3.691 0.833 -5.063 92 HG2 ARG 10 2HG ARG 10 -5.866 -0.248 -5.813 93 HG3 ARG 10 3HG ARG 10 -5.590 -1.309 -4.402 94 HD2 ARG 10 2HD ARG 10 -6.938 0.382 -3.584 95 HD3 ARG 10 3HD ARG 10 -5.351 0.752 -2.992 96 HE ARG 10 HE ARG 10 -5.708 2.800 -3.770 97 HH11 ARG 10 1HH1 ARG 10 -7.257 0.863 -6.313 98 HH12 ARG 10 2HH1 ARG 10 -7.909 2.299 -7.038 99 HH21 ARG 10 1HH2 ARG 10 -6.540 4.473 -4.740 100 HH22 ARG 10 2HH2 ARG 10 -7.469 4.294 -6.215 101 H LYS 11 H LYS 11 -3.644 0.796 -7.610 102 HA LYS 11 HA LYS 11 -5.763 -0.432 -9.019 103 HB2 LYS 11 2HB LYS 11 -5.240 1.028 -10.957 104 HB3 LYS 11 3HB LYS 11 -5.598 1.826 -9.412 105 HG2 LYS 11 2HG LYS 11 -3.468 2.703 -9.466 106 HG3 LYS 11 3HG LYS 11 -2.787 1.273 -10.003 107 HD2 LYS 11 2HD LYS 11 -2.402 2.673 -11.768 108 HD3 LYS 11 3HD LYS 11 -3.572 1.531 -12.307 109 HE2 LYS 11 2HE LYS 11 -5.407 3.194 -11.906 110 HE3 LYS 11 3HE LYS 11 -4.225 4.352 -11.291 111 HZ1 LYS 11 1HZ LYS 11 -4.767 4.786 -13.623 112 HZ2 LYS 11 2HZ LYS 11 -4.287 3.295 -14.073 113 HZ3 LYS 11 3HZ LYS 11 -3.194 4.372 -13.508 114 H GLU 12 H GLU 12 -2.235 -0.400 -9.693 115 HA GLU 12 HA GLU 12 -2.482 -1.626 -12.198 116 HB2 GLU 12 2HB GLU 12 -0.792 -0.128 -11.599 117 HB3 GLU 12 3HB GLU 12 -0.156 -1.188 -10.374 118 HG2 GLU 12 2HG GLU 12 -0.258 -1.831 -13.298 119 HG3 GLU 12 3HG GLU 12 1.087 -0.931 -12.572 120 H LYS 13 H LYS 13 -2.199 -2.982 -8.964 121 HA LYS 13 HA LYS 13 -1.885 -5.792 -9.665 122 HB2 LYS 13 2HB LYS 13 -2.750 -4.441 -7.083 123 HB3 LYS 13 3HB LYS 13 -2.545 -6.127 -7.288 124 HG2 LYS 13 2HG LYS 13 -0.191 -4.367 -7.887 125 HG3 LYS 13 3HG LYS 13 -0.623 -4.743 -6.248 126 HD2 LYS 13 2HD LYS 13 1.196 -6.148 -7.340 127 HD3 LYS 13 3HD LYS 13 -0.081 -6.991 -6.436 128 HE2 LYS 13 2HE LYS 13 -1.261 -7.496 -8.561 129 HE3 LYS 13 3HE LYS 13 0.039 -6.709 -9.462 130 HZ1 LYS 13 1HZ LYS 13 0.315 -9.121 -7.736 131 HZ2 LYS 13 2HZ LYS 13 1.567 -8.416 -8.511 132 HZ3 LYS 13 3HZ LYS 13 0.362 -9.114 -9.369 133 H GLY 14 H GLY 14 -4.602 -3.700 -9.660 134 HA2 GLY 14 2HA GLY 14 -6.797 -4.400 -10.414 135 HA3 GLY 14 3HA GLY 14 -6.425 -6.082 -10.033 136 H TYR 15 H TYR 15 -5.648 -3.579 -7.806 137 HA TYR 15 HA TYR 15 -7.698 -4.535 -5.884 138 HB2 TYR 15 2HB TYR 15 -5.095 -3.032 -5.528 139 HB3 TYR 15 3HB TYR 15 -6.059 -3.613 -4.239 140 HD1 TYR 15 HD1 TYR 15 -6.378 -6.365 -6.163 141 HD2 TYR 15 HD2 TYR 15 -3.170 -4.031 -4.479 142 HE1 TYR 15 HE1 TYR 15 -4.893 -8.382 -6.153 143 HE2 TYR 15 HE2 TYR 15 -1.764 -6.101 -4.291 144 HH TYR 15 HH TYR 15 -1.612 -8.317 -4.703 145 H SER 16 H SER 16 -8.152 -2.988 -4.268 146 HA SER 16 HA SER 16 -8.799 -0.244 -4.956 147 HB2 SER 16 2HB SER 16 -11.086 -0.479 -4.139 148 HB3 SER 16 3HB SER 16 -10.903 -1.667 -5.479 149 HG SER 16 HG SER 16 -11.771 -2.863 -3.883 150 H LEU 17 H LEU 17 -9.891 0.617 -2.749 151 HA LEU 17 HA LEU 17 -7.649 0.418 -0.989 152 HB2 LEU 17 2HB LEU 17 -10.323 1.764 -0.391 153 HB3 LEU 17 3HB LEU 17 -8.840 1.928 0.396 154 HG LEU 17 HG LEU 17 -7.895 2.585 -2.043 155 HD11 LEU 17 1HD1 LEU 17 -9.975 2.153 -3.218 156 HD12 LEU 17 2HD1 LEU 17 -9.691 3.892 -3.201 157 HD13 LEU 17 3HD1 LEU 17 -10.868 3.162 -2.058 158 HD21 LEU 17 1HD2 LEU 17 -9.490 4.269 -0.094 159 HD22 LEU 17 2HD2 LEU 17 -8.581 4.974 -1.474 160 HD23 LEU 17 3HD2 LEU 17 -7.720 4.035 -0.253 161 H SER 18 H SER 18 -10.652 -1.211 -1.171 162 HA SER 18 HA SER 18 -10.483 -2.405 1.566 163 HB2 SER 18 2HB SER 18 -12.622 -1.635 1.068 164 HB3 SER 18 3HB SER 18 -12.535 -2.182 -0.595 165 HG SER 18 HG SER 18 -12.908 -3.725 1.789 166 H GLU 19 H GLU 19 -10.419 -3.476 -1.895 167 HA GLU 19 HA GLU 19 -9.793 -6.254 -1.472 168 HB2 GLU 19 3HB GLU 19 -9.069 -4.244 -3.582 169 HB3 GLU 19 2HB GLU 19 -8.345 -5.763 -3.655 170 HG2 GLU 19 2HG GLU 19 -10.439 -5.252 -5.024 171 HG3 GLU 19 3HG GLU 19 -10.247 -6.851 -4.286 172 H LEU 20 H LEU 20 -7.625 -3.408 -1.898 173 HA LEU 20 HA LEU 20 -5.287 -4.905 -1.666 174 HB2 LEU 20 2HB LEU 20 -5.707 -2.518 -2.562 175 HB3 LEU 20 3HB LEU 20 -5.660 -1.927 -0.979 176 HG LEU 20 HG LEU 20 -3.746 -2.493 -3.073 177 HD11 LEU 20 1HD1 LEU 20 -3.214 -1.395 -0.345 178 HD12 LEU 20 2HD1 LEU 20 -3.982 -0.480 -1.687 179 HD13 LEU 20 3HD1 LEU 20 -2.304 -1.079 -1.846 180 HD21 LEU 20 1HD2 LEU 20 -3.358 -4.598 -2.061 181 HD22 LEU 20 2HD2 LEU 20 -2.985 -3.814 -0.498 182 HD23 LEU 20 3HD2 LEU 20 -1.956 -3.554 -1.934 183 H ALA 21 H ALA 21 -7.142 -3.044 0.788 184 HA ALA 21 HA ALA 21 -5.525 -3.680 2.964 185 HB1 ALA 21 1HB ALA 21 -7.428 -3.229 4.373 186 HB2 ALA 21 2HB ALA 21 -7.361 -2.075 3.022 187 HB3 ALA 21 3HB ALA 21 -8.545 -3.398 2.996 188 H GLU 22 H GLU 22 -8.182 -5.731 1.729 189 HA GLU 22 HA GLU 22 -7.924 -7.662 3.907 190 HB2 GLU 22 2HB GLU 22 -9.293 -9.161 2.678 191 HB3 GLU 22 3HB GLU 22 -10.034 -7.548 2.653 192 HG2 GLU 22 2HG GLU 22 -9.994 -7.407 0.408 193 HG3 GLU 22 3HG GLU 22 -8.397 -8.083 0.372 194 H LYS 23 H LYS 23 -6.380 -7.271 0.789 195 HA LYS 23 HA LYS 23 -5.129 -9.925 0.733 196 HB2 LYS 23 2HB LYS 23 -4.655 -7.337 -0.796 197 HB3 LYS 23 3HB LYS 23 -3.842 -8.875 -1.175 198 HG2 LYS 23 2HG LYS 23 -5.939 -9.956 -1.688 199 HG3 LYS 23 3HG LYS 23 -6.837 -8.608 -1.097 200 HD2 LYS 23 2HD LYS 23 -5.613 -7.207 -3.056 201 HD3 LYS 23 3HD LYS 23 -5.435 -8.806 -3.756 202 HE2 LYS 23 2HE LYS 23 -8.039 -7.558 -2.848 203 HE3 LYS 23 3HE LYS 23 -7.536 -7.871 -4.512 204 HZ1 LYS 23 1HZ LYS 23 -7.557 -10.315 -3.784 205 HZ2 LYS 23 2HZ LYS 23 -9.017 -9.595 -3.905 206 HZ3 LYS 23 3HZ LYS 23 -8.375 -9.819 -2.434 207 H ALA 24 H ALA 24 -3.907 -6.599 1.211 208 HA ALA 24 HA ALA 24 -1.335 -6.977 2.019 209 HB1 ALA 24 1HB ALA 24 -1.841 -4.784 3.323 210 HB2 ALA 24 2HB ALA 24 -2.347 -4.847 1.599 211 HB3 ALA 24 3HB ALA 24 -3.554 -5.086 2.860 212 H GLY 25 H GLY 25 -4.309 -7.195 4.002 213 HA2 GLY 25 2HA GLY 25 -4.533 -8.249 6.132 214 HA3 GLY 25 3HA GLY 25 -2.781 -8.255 6.330 215 H VAL 26 H VAL 26 -4.886 -5.546 5.479 216 HA VAL 26 HA VAL 26 -3.959 -4.017 7.898 217 HB VAL 26 HB VAL 26 -3.451 -2.150 6.656 218 HG11 VAL 26 1HG1 VAL 26 -1.406 -3.032 5.566 219 HG12 VAL 26 2HG1 VAL 26 -1.830 -3.703 7.212 220 HG13 VAL 26 3HG1 VAL 26 -2.061 -4.683 5.738 221 HG21 VAL 26 1HG2 VAL 26 -3.283 -2.225 4.268 222 HG22 VAL 26 2HG2 VAL 26 -4.033 -3.861 4.346 223 HG23 VAL 26 3HG2 VAL 26 -4.960 -2.392 4.857 224 H ALA 27 H ALA 27 -5.189 -1.849 7.632 225 HA ALA 27 HA ALA 27 -8.125 -2.475 7.715 226 HB1 ALA 27 1HB ALA 27 -7.007 -1.343 9.602 227 HB2 ALA 27 2HB ALA 27 -6.532 -0.012 8.537 228 HB3 ALA 27 3HB ALA 27 -8.264 -0.308 8.867 229 H LYS 28 H LYS 28 -9.595 -1.605 6.044 230 HA LYS 28 HA LYS 28 -8.459 -0.402 3.672 231 HB2 LYS 28 2HB LYS 28 -10.809 -1.219 3.626 232 HB3 LYS 28 3HB LYS 28 -11.279 0.059 4.775 233 HG2 LYS 28 2HG LYS 28 -9.917 0.952 2.251 234 HG3 LYS 28 3HG LYS 28 -11.520 0.381 2.142 235 HD2 LYS 28 2HD LYS 28 -12.062 2.066 4.099 236 HD3 LYS 28 3HD LYS 28 -10.601 2.780 3.416 237 HE2 LYS 28 2HE LYS 28 -12.344 3.888 2.334 238 HE3 LYS 28 3HE LYS 28 -11.670 2.767 1.150 239 HZ1 LYS 28 1HZ LYS 28 -13.551 1.257 1.653 240 HZ2 LYS 28 2HZ LYS 28 -14.108 2.713 1.175 241 HZ3 LYS 28 3HZ LYS 28 -14.143 2.313 2.752 242 H SER 29 H SER 29 -9.730 0.990 6.651 243 HA SER 29 HA SER 29 -9.663 3.629 5.867 244 HB2 SER 29 2HB SER 29 -10.717 2.845 7.939 245 HB3 SER 29 3HB SER 29 -9.127 2.474 8.627 246 HG SER 29 HG SER 29 -9.990 4.497 9.346 247 H TYR 30 H TYR 30 -6.956 1.519 6.667 248 HA TYR 30 HA TYR 30 -4.904 3.587 6.787 249 HB2 TYR 30 2HB TYR 30 -4.827 0.585 6.585 250 HB3 TYR 30 3HB TYR 30 -3.775 1.348 5.499 251 HD1 TYR 30 HD1 TYR 30 -4.041 0.502 9.010 252 HD2 TYR 30 HD2 TYR 30 -2.214 3.120 6.128 253 HE1 TYR 30 HE1 TYR 30 -2.164 0.974 10.589 254 HE2 TYR 30 HE2 TYR 30 -0.341 3.514 7.571 255 HH TYR 30 HH TYR 30 -0.293 2.232 10.981 256 H LEU 31 H LEU 31 -5.946 1.405 4.074 257 HA LEU 31 HA LEU 31 -4.182 2.765 2.394 258 HB2 LEU 31 3HB LEU 31 -6.638 1.123 1.680 259 HB3 LEU 31 2HB LEU 31 -5.478 1.718 0.482 260 HG LEU 31 HG LEU 31 -4.996 -0.550 0.888 261 HD11 LEU 31 1HD1 LEU 31 -2.961 1.034 2.503 262 HD12 LEU 31 2HD1 LEU 31 -2.843 0.572 0.791 263 HD13 LEU 31 3HD1 LEU 31 -2.755 -0.663 2.074 264 HD21 LEU 31 1HD2 LEU 31 -6.151 -0.464 3.199 265 HD22 LEU 31 2HD2 LEU 31 -4.503 -0.183 3.827 266 HD23 LEU 31 3HD2 LEU 31 -4.884 -1.624 2.830 267 H SER 32 H SER 32 -7.697 3.396 2.931 268 HA SER 32 HA SER 32 -7.864 5.586 1.077 269 HB2 SER 32 2HB SER 32 -9.791 6.349 2.286 270 HB3 SER 32 3HB SER 32 -9.841 4.601 2.054 271 HG SER 32 HG SER 32 -9.435 6.088 4.418 272 H SER 33 H SER 33 -6.802 5.614 4.562 273 HA SER 33 HA SER 33 -6.386 8.479 4.439 274 HB2 SER 33 2HB SER 33 -6.960 7.280 6.485 275 HB3 SER 33 3HB SER 33 -5.404 6.442 6.441 276 HG SER 33 HG SER 33 -5.543 8.400 7.796 277 H ILE 34 H ILE 34 -4.008 5.719 4.015 278 HA ILE 34 HA ILE 34 -1.696 7.133 3.565 279 HB ILE 34 HB ILE 34 -2.877 4.731 2.065 280 HG12 ILE 34 2HG1 ILE 34 -2.375 4.269 4.435 281 HG13 ILE 34 3HG1 ILE 34 -1.422 3.295 3.389 282 HG21 ILE 34 1HG2 ILE 34 -1.360 5.595 0.501 283 HG22 ILE 34 2HG2 ILE 34 -0.199 6.065 1.771 284 HG23 ILE 34 3HG2 ILE 34 -0.444 4.339 1.297 285 HD11 ILE 34 1HD1 ILE 34 0.552 4.599 3.698 286 HD12 ILE 34 2HD1 ILE 34 -0.362 5.818 4.597 287 HD13 ILE 34 3HD1 ILE 34 -0.136 4.195 5.283 288 H GLU 35 H GLU 35 -4.165 6.358 1.127 289 HA GLU 35 HA GLU 35 -3.076 8.030 -0.916 290 HB2 GLU 35 2HB GLU 35 -5.886 6.922 -0.557 291 HB3 GLU 35 3HB GLU 35 -5.303 7.750 -2.015 292 HG2 GLU 35 2HG GLU 35 -3.487 6.100 -2.255 293 HG3 GLU 35 3HG GLU 35 -4.023 5.238 -0.830 294 H ARG 36 H ARG 36 -5.325 8.930 1.701 295 HA ARG 36 HA ARG 36 -5.660 11.672 0.749 296 HB2 ARG 36 2HB ARG 36 -5.921 10.471 3.538 297 HB3 ARG 36 3HB ARG 36 -6.291 12.142 3.144 298 HG2 ARG 36 2HG ARG 36 -7.689 9.899 1.665 299 HG3 ARG 36 3HG ARG 36 -8.240 10.438 3.261 300 HD2 ARG 36 2HD ARG 36 -8.555 12.716 2.447 301 HD3 ARG 36 3HD ARG 36 -7.772 12.301 0.930 302 HE ARG 36 HE ARG 36 -9.721 11.288 0.152 303 HH11 ARG 36 1HH1 ARG 36 -10.227 12.014 3.548 304 HH12 ARG 36 2HH1 ARG 36 -11.930 11.663 3.456 305 HH21 ARG 36 1HH2 ARG 36 -11.895 10.865 0.114 306 HH22 ARG 36 2HH2 ARG 36 -12.842 11.032 1.562 307 H ASN 37 H ASN 37 -3.570 10.422 3.367 308 HA ASN 37 HA ASN 37 -1.432 12.349 2.827 309 HB2 ASN 37 2HB ASN 37 -3.268 13.715 3.924 310 HB3 ASN 37 3HB ASN 37 -3.153 12.665 5.333 311 HD21 ASN 37 1HD2 ASN 37 -2.121 13.822 6.936 312 HD22 ASN 37 2HD2 ASN 37 -0.711 14.834 6.660 313 H LEU 38 H LEU 38 -2.572 9.617 4.768 314 HA LEU 38 HA LEU 38 -1.179 9.724 7.083 315 HB2 LEU 38 2HB LEU 38 -2.906 8.032 6.189 316 HB3 LEU 38 3HB LEU 38 -1.594 7.150 5.550 317 HG LEU 38 HG LEU 38 -2.026 7.601 8.472 318 HD11 LEU 38 1HD1 LEU 38 -3.768 6.250 7.702 319 HD12 LEU 38 2HD1 LEU 38 -2.613 5.147 8.420 320 HD13 LEU 38 3HD1 LEU 38 -2.687 5.301 6.652 321 HD21 LEU 38 1HD2 LEU 38 0.310 7.095 8.258 322 HD22 LEU 38 2HD2 LEU 38 -0.019 5.845 7.030 323 HD23 LEU 38 3HD2 LEU 38 -0.482 5.615 8.728 324 H GLN 39 H GLN 39 0.121 8.412 4.067 325 HA GLN 39 HA GLN 39 2.489 7.442 5.273 326 HB2 GLN 39 2HB GLN 39 1.215 6.932 3.028 327 HB3 GLN 39 3HB GLN 39 2.270 8.112 2.304 328 HG2 GLN 39 2HG GLN 39 3.126 5.588 3.810 329 HG3 GLN 39 3HG GLN 39 2.935 5.684 2.065 330 HE21 GLN 39 1HE2 GLN 39 5.234 5.752 4.422 331 HE22 GLN 39 2HE2 GLN 39 6.426 6.756 3.619 332 H THR 40 H THR 40 1.781 10.624 4.986 333 HA THR 40 HA THR 40 4.275 11.945 4.893 334 HB THR 40 HB THR 40 2.107 13.029 5.285 335 HG1 THR 40 HG1 THR 40 3.892 14.166 5.971 336 HG21 THR 40 1HG2 THR 40 2.214 11.884 8.114 337 HG22 THR 40 2HG2 THR 40 1.123 11.327 6.843 338 HG23 THR 40 3HG2 THR 40 0.990 12.983 7.440 339 H ASN 41 H ASN 41 3.087 9.595 7.292 340 HA ASN 41 HA ASN 41 5.853 9.433 8.375 341 HB2 ASN 41 2HB ASN 41 3.276 9.236 9.976 342 HB3 ASN 41 3HB ASN 41 4.864 8.771 10.580 343 HD21 ASN 41 1HD2 ASN 41 2.681 11.295 10.596 344 HD22 ASN 41 2HD2 ASN 41 3.822 12.587 10.940 345 HA PRO 42 HA PRO 42 5.093 5.244 6.932 346 HB2 PRO 42 2HB PRO 42 7.472 4.064 7.526 347 HB3 PRO 42 3HB PRO 42 7.308 5.305 6.246 348 HG2 PRO 42 2HG PRO 42 8.237 5.693 9.109 349 HG3 PRO 42 3HG PRO 42 9.010 6.283 7.604 350 HD2 PRO 42 2HD PRO 42 7.350 7.849 9.122 351 HD3 PRO 42 3HD PRO 42 7.415 7.987 7.338 352 H SER 43 H SER 43 4.285 3.368 7.735 353 HA SER 43 HA SER 43 4.949 2.462 10.530 354 HB2 SER 43 2HB SER 43 2.598 2.964 10.419 355 HB3 SER 43 3HB SER 43 2.423 1.983 8.956 356 HG SER 43 HG SER 43 1.873 0.879 10.931 357 H ILE 44 H ILE 44 6.771 1.340 10.092 358 HA ILE 44 HA ILE 44 7.331 0.111 7.636 359 HB ILE 44 HB ILE 44 8.470 -0.708 10.320 360 HG12 ILE 44 2HG1 ILE 44 8.845 1.678 10.005 361 HG13 ILE 44 3HG1 ILE 44 10.340 0.779 9.834 362 HG21 ILE 44 1HG2 ILE 44 9.433 -1.196 7.463 363 HG22 ILE 44 2HG2 ILE 44 10.447 -1.420 8.907 364 HG23 ILE 44 3HG2 ILE 44 9.002 -2.404 8.686 365 HD11 ILE 44 1HD1 ILE 44 10.242 2.575 8.200 366 HD12 ILE 44 2HD1 ILE 44 10.226 1.017 7.359 367 HD13 ILE 44 3HD1 ILE 44 8.726 1.956 7.541 368 H GLN 45 H GLN 45 5.857 -1.444 10.514 369 HA GLN 45 HA GLN 45 5.717 -4.055 9.479 370 HB2 GLN 45 2HB GLN 45 3.985 -4.470 11.129 371 HB3 GLN 45 3HB GLN 45 5.349 -3.571 11.787 372 HG2 GLN 45 2HG GLN 45 3.955 -1.447 11.529 373 HG3 GLN 45 3HG GLN 45 2.576 -2.479 11.144 374 HE21 GLN 45 1HE2 GLN 45 2.521 -0.707 13.319 375 HE22 GLN 45 2HE2 GLN 45 2.504 -1.668 14.794 376 H PHE 46 H PHE 46 3.351 -1.427 9.102 377 HA PHE 46 HA PHE 46 1.315 -2.926 7.536 378 HB2 PHE 46 2HB PHE 46 0.503 -0.962 8.623 379 HB3 PHE 46 3HB PHE 46 1.936 -0.034 8.227 380 HD1 PHE 46 HD1 PHE 46 2.330 0.911 5.967 381 HD2 PHE 46 HD2 PHE 46 -1.330 -1.094 7.013 382 HE1 PHE 46 HE1 PHE 46 1.398 1.501 3.738 383 HE2 PHE 46 HE2 PHE 46 -2.331 -0.423 4.859 384 HZ PHE 46 HZ PHE 46 -0.976 0.974 3.251 385 H LEU 47 H LEU 47 4.160 -1.004 6.852 386 HA LEU 47 HA LEU 47 3.693 -0.930 3.976 387 HB2 LEU 47 2HB LEU 47 6.181 -0.541 5.710 388 HB3 LEU 47 3HB LEU 47 6.276 -0.478 3.971 389 HG LEU 47 HG LEU 47 4.518 1.451 5.562 390 HD11 LEU 47 1HD1 LEU 47 6.785 1.687 6.433 391 HD12 LEU 47 2HD1 LEU 47 6.419 3.057 5.385 392 HD13 LEU 47 3HD1 LEU 47 7.453 1.751 4.782 393 HD21 LEU 47 1HD2 LEU 47 5.886 1.554 2.857 394 HD22 LEU 47 2HD2 LEU 47 5.035 2.933 3.577 395 HD23 LEU 47 3HD2 LEU 47 4.120 1.474 3.173 396 H GLU 48 H GLU 48 5.626 -3.121 6.108 397 HA GLU 48 HA GLU 48 6.465 -4.866 4.091 398 HB2 GLU 48 2HB GLU 48 5.458 -6.166 6.611 399 HB3 GLU 48 3HB GLU 48 6.826 -6.550 5.591 400 HG2 GLU 48 2HG GLU 48 7.786 -4.255 6.561 401 HG3 GLU 48 3HG GLU 48 6.526 -4.506 7.747 402 H LYS 49 H LYS 49 3.400 -4.947 5.946 403 HA LYS 49 HA LYS 49 2.112 -7.166 4.815 404 HB2 LYS 49 2HB LYS 49 0.912 -4.489 5.674 405 HB3 LYS 49 3HB LYS 49 -0.004 -5.853 5.489 406 HG2 LYS 49 2HG LYS 49 2.105 -6.640 7.271 407 HG3 LYS 49 3HG LYS 49 1.683 -4.971 7.657 408 HD2 LYS 49 2HD LYS 49 0.363 -6.298 9.094 409 HD3 LYS 49 3HD LYS 49 -0.714 -5.649 7.862 410 HE2 LYS 49 2HE LYS 49 -1.308 -7.943 8.268 411 HE3 LYS 49 3HE LYS 49 -0.626 -7.832 6.648 412 HZ1 LYS 49 1HZ LYS 49 0.247 -9.743 7.886 413 HZ2 LYS 49 2HZ LYS 49 0.835 -8.782 9.064 414 HZ3 LYS 49 3HZ LYS 49 1.470 -8.718 7.556 415 H VAL 50 H VAL 50 1.555 -3.849 3.686 416 HA VAL 50 HA VAL 50 0.129 -4.903 1.253 417 HB VAL 50 HB VAL 50 -1.051 -3.158 2.136 418 HG11 VAL 50 1HG1 VAL 50 1.598 -1.947 2.616 419 HG12 VAL 50 2HG1 VAL 50 0.129 -0.920 2.442 420 HG13 VAL 50 3HG1 VAL 50 0.144 -2.230 3.655 421 HG21 VAL 50 1HG2 VAL 50 0.514 -1.730 0.029 422 HG22 VAL 50 2HG2 VAL 50 -0.674 -3.037 -0.299 423 HG23 VAL 50 3HG2 VAL 50 -1.169 -1.512 0.492 424 H SER 51 H SER 51 3.319 -3.350 1.853 425 HA SER 51 HA SER 51 3.969 -3.047 -0.974 426 HB2 SER 51 2HB SER 51 6.144 -2.727 -0.382 427 HB3 SER 51 3HB SER 51 5.379 -2.258 1.103 428 HG SER 51 HG SER 51 6.752 -4.654 0.458 429 H ALA 52 H ALA 52 4.250 -5.713 1.342 430 HA ALA 52 HA ALA 52 5.428 -7.651 -0.435 431 HB1 ALA 52 1HB ALA 52 4.335 -9.347 1.107 432 HB2 ALA 52 2HB ALA 52 5.309 -8.118 1.935 433 HB3 ALA 52 3HB ALA 52 3.537 -7.983 1.931 434 H VAL 53 H VAL 53 2.004 -6.906 0.279 435 HA VAL 53 HA VAL 53 0.998 -8.669 -1.752 436 HB VAL 53 HB VAL 53 0.016 -7.215 0.388 437 HG11 VAL 53 1HG1 VAL 53 -1.608 -6.276 -2.001 438 HG12 VAL 53 2HG1 VAL 53 -2.015 -6.109 -0.302 439 HG13 VAL 53 3HG1 VAL 53 -0.629 -5.231 -0.911 440 HG21 VAL 53 1HG2 VAL 53 -1.676 -8.624 -1.641 441 HG22 VAL 53 2HG2 VAL 53 -0.547 -9.487 -0.536 442 HG23 VAL 53 3HG2 VAL 53 -1.777 -8.471 0.167 443 H LEU 54 H LEU 54 1.954 -5.310 -2.025 444 HA LEU 54 HA LEU 54 0.911 -4.999 -4.714 445 HB2 LEU 54 2HB LEU 54 2.715 -3.234 -2.968 446 HB3 LEU 54 3HB LEU 54 2.215 -2.816 -4.545 447 HG LEU 54 HG LEU 54 0.352 -3.394 -2.264 448 HD11 LEU 54 1HD1 LEU 54 -0.021 -0.922 -2.267 449 HD12 LEU 54 2HD1 LEU 54 1.373 -0.782 -3.367 450 HD13 LEU 54 3HD1 LEU 54 1.606 -1.467 -1.801 451 HD21 LEU 54 1HD2 LEU 54 -1.423 -2.148 -3.897 452 HD22 LEU 54 2HD2 LEU 54 -1.060 -3.841 -4.147 453 HD23 LEU 54 3HD2 LEU 54 -0.284 -2.648 -5.143 454 H ASP 55 H ASP 55 3.419 -6.872 -3.837 455 HA ASP 55 HA ASP 55 5.214 -7.751 -4.883 456 HB2 ASP 55 2HB ASP 55 4.161 -6.331 -7.333 457 HB3 ASP 55 3HB ASP 55 5.621 -7.229 -7.359 458 H VAL 56 H VAL 56 5.411 -5.517 -3.322 459 HA VAL 56 HA VAL 56 7.605 -3.819 -4.434 460 HB VAL 56 HB VAL 56 4.765 -3.449 -3.621 461 HG11 VAL 56 1HG1 VAL 56 6.493 -1.032 -3.569 462 HG12 VAL 56 2HG1 VAL 56 4.712 -1.244 -3.350 463 HG13 VAL 56 3HG1 VAL 56 5.818 -1.807 -2.124 464 HG21 VAL 56 1HG2 VAL 56 6.486 -2.160 -5.724 465 HG22 VAL 56 2HG2 VAL 56 5.619 -3.708 -5.956 466 HG23 VAL 56 3HG2 VAL 56 4.688 -2.253 -5.647 467 H SER 57 H SER 57 8.605 -2.330 -2.695 468 HA SER 57 HA SER 57 9.243 -4.233 -0.524 469 HB2 SER 57 2HB SER 57 11.187 -2.615 -2.177 470 HB3 SER 57 3HB SER 57 11.578 -3.939 -1.074 471 HG SER 57 HG SER 57 10.612 -5.399 -2.448 472 H VAL 58 H VAL 58 7.722 -2.257 0.455 473 HA VAL 58 HA VAL 58 7.518 -1.002 2.283 474 HB VAL 58 HB VAL 58 10.238 -2.161 3.059 475 HG11 VAL 58 1HG1 VAL 58 9.778 -1.775 5.339 476 HG12 VAL 58 2HG1 VAL 58 9.421 -0.217 4.586 477 HG13 VAL 58 3HG1 VAL 58 8.113 -1.349 5.042 478 HG21 VAL 58 1HG2 VAL 58 8.819 -3.786 4.350 479 HG22 VAL 58 2HG2 VAL 58 7.396 -3.026 3.608 480 HG23 VAL 58 3HG2 VAL 58 8.575 -3.914 2.602 481 H HIS 59 H HIS 59 10.959 -0.456 1.360 482 HA HIS 59 HA HIS 59 10.898 2.408 1.933 483 HB2 HIS 59 2HB HIS 59 12.666 2.361 -0.040 484 HB3 HIS 59 3HB HIS 59 13.014 1.888 1.575 485 HD1 HIS 59 HD1 HIS 59 14.487 -0.134 1.721 486 HD2 HIS 59 HD2 HIS 59 12.068 -0.042 -1.726 487 HE1 HIS 59 HE1 HIS 59 15.159 -2.165 0.303 488 H THR 60 H THR 60 10.221 0.391 -0.856 489 HA THR 60 HA THR 60 10.106 2.255 -2.916 490 HB THR 60 HB THR 60 8.075 0.041 -2.457 491 HG1 THR 60 HG1 THR 60 10.514 -0.264 -3.818 492 HG21 THR 60 1HG2 THR 60 7.509 1.376 -4.289 493 HG22 THR 60 2HG2 THR 60 8.241 -0.096 -4.974 494 HG23 THR 60 3HG2 THR 60 9.196 1.445 -4.853 495 H LEU 61 H LEU 61 7.450 1.518 -0.657 496 HA LEU 61 HA LEU 61 5.506 3.247 -1.814 497 HB2 LEU 61 2HB LEU 61 5.906 2.283 0.966 498 HB3 LEU 61 3HB LEU 61 4.376 2.831 0.321 499 HG LEU 61 HG LEU 61 5.904 0.300 -0.623 500 HD11 LEU 61 1HD1 LEU 61 3.543 0.719 1.241 501 HD12 LEU 61 2HD1 LEU 61 5.124 -0.106 1.457 502 HD13 LEU 61 3HD1 LEU 61 3.882 -0.803 0.389 503 HD21 LEU 61 1HD2 LEU 61 3.369 1.710 -1.542 504 HD22 LEU 61 2HD2 LEU 61 3.658 -0.019 -1.844 505 HD23 LEU 61 3HD2 LEU 61 4.746 1.228 -2.508 506 H LEU 62 H LEU 62 7.929 3.874 0.771 507 HA LEU 62 HA LEU 62 6.991 6.646 1.053 508 HB2 LEU 62 2HB LEU 62 8.249 6.740 2.996 509 HB3 LEU 62 3HB LEU 62 7.695 5.091 2.931 510 HG LEU 62 HG LEU 62 10.156 4.843 1.705 511 HD11 LEU 62 1HD1 LEU 62 10.877 7.114 2.054 512 HD12 LEU 62 2HD1 LEU 62 11.810 6.006 3.052 513 HD13 LEU 62 3HD1 LEU 62 10.525 6.980 3.805 514 HD21 LEU 62 1HD2 LEU 62 9.198 3.433 3.352 515 HD22 LEU 62 2HD2 LEU 62 9.491 4.645 4.637 516 HD23 LEU 62 3HD2 LEU 62 10.865 3.863 3.813 517 H ASP 63 H ASP 63 9.430 4.981 -0.670 518 HA ASP 63 HA ASP 63 11.237 7.294 -0.852 519 HB2 ASP 63 2HB ASP 63 12.022 5.395 0.353 520 HB3 ASP 63 3HB ASP 63 11.741 4.321 -1.054 521 H GLU 64 H GLU 64 12.797 7.079 -2.570 522 HA GLU 64 HA GLU 64 11.527 7.221 -5.280 523 HB2 GLU 64 2HB GLU 64 12.750 9.408 -5.408 524 HB3 GLU 64 3HB GLU 64 11.489 9.346 -4.178 525 HG2 GLU 64 2HG GLU 64 13.175 8.953 -2.395 526 HG3 GLU 64 3HG GLU 64 14.465 8.988 -3.611 527 H LYS 65 H LYS 65 13.739 5.471 -3.850 528 HA LYS 65 HA LYS 65 15.680 5.213 -6.088 529 HB2 LYS 65 2HB LYS 65 17.611 5.434 -4.500 530 HB3 LYS 65 3HB LYS 65 16.687 6.936 -4.674 531 HG2 LYS 65 2HG LYS 65 15.399 6.323 -2.674 532 HG3 LYS 65 3HG LYS 65 16.456 4.931 -2.394 533 HD2 LYS 65 2HD LYS 65 17.177 7.874 -2.217 534 HD3 LYS 65 3HD LYS 65 16.640 6.801 -0.891 535 HE2 LYS 65 2HE LYS 65 18.617 5.274 -1.533 536 HE3 LYS 65 3HE LYS 65 19.171 6.543 -2.631 537 HZ1 LYS 65 1HZ LYS 65 20.273 6.679 -0.484 538 HZ2 LYS 65 2HZ LYS 65 18.864 6.767 0.318 539 HZ3 LYS 65 3HZ LYS 65 19.334 8.016 -0.653 540 H HIS 66 H HIS 66 14.397 3.915 -3.012 541 HA HIS 66 HA HIS 66 13.892 1.906 -2.349 542 HB2 HIS 66 2HB HIS 66 12.808 0.416 -3.989 543 HB3 HIS 66 3HB HIS 66 12.314 2.089 -4.087 544 HD1 HIS 66 HD1 HIS 66 12.586 3.282 -6.420 545 HD2 HIS 66 HD2 HIS 66 14.579 -0.408 -6.073 546 HE1 HIS 66 HE1 HIS 66 13.424 2.700 -8.753 547 H GLU 67 H GLU 67 16.611 2.172 -2.268 548 HA GLU 67 HA GLU 67 17.489 -0.656 -2.578 549 HB2 GLU 67 2HB GLU 67 18.084 0.633 -4.614 550 HB3 GLU 67 3HB GLU 67 19.032 1.742 -3.622 551 HG2 GLU 67 2HG GLU 67 20.601 -0.038 -3.052 552 HG3 GLU 67 3HG GLU 67 19.533 -1.241 -3.794 553 H THR 68 H THR 68 17.807 2.247 -0.779 554 HA THR 68 HA THR 68 19.570 0.869 1.215 555 HB THR 68 HB THR 68 20.859 2.921 1.521 556 HG1 THR 68 HG1 THR 68 19.385 4.462 0.908 557 HG21 THR 68 1HG2 THR 68 20.818 2.241 -1.444 558 HG22 THR 68 2HG2 THR 68 21.645 1.282 -0.194 559 HG23 THR 68 3HG2 THR 68 22.145 2.953 -0.508 560 H GLU 69 H GLU 69 16.603 2.100 0.964 561 HA GLU 69 HA GLU 69 16.554 3.554 3.575 562 HB2 GLU 69 2HB GLU 69 14.551 3.572 1.293 563 HB3 GLU 69 3HB GLU 69 14.411 4.515 2.766 564 HG2 GLU 69 2HG GLU 69 16.373 4.828 0.494 565 HG3 GLU 69 3HG GLU 69 15.216 5.996 1.126 Start of MODEL 6 1 H1 MET 1 1H MET 1 4.231 12.261 1.341 2 H2 MET 1 2H MET 1 5.103 12.553 2.690 3 H3 MET 1 3H MET 1 4.226 11.167 2.563 4 HA MET 1 HA MET 1 6.581 11.857 0.921 5 HB2 MET 1 2HB MET 1 6.288 9.702 3.062 6 HB3 MET 1 3HB MET 1 7.673 9.938 2.000 7 HG2 MET 1 2HG MET 1 8.092 12.156 2.997 8 HG3 MET 1 3HG MET 1 6.678 11.962 4.036 9 HE1 MET 1 1HE MET 1 9.695 9.521 3.031 10 HE2 MET 1 2HE MET 1 10.415 11.098 3.428 11 HE3 MET 1 3HE MET 1 10.691 9.700 4.490 12 H ILE 2 H ILE 2 5.520 11.484 -1.063 13 HA ILE 2 HA ILE 2 4.596 10.368 -2.780 14 HB ILE 2 HB ILE 2 5.820 7.883 -1.635 15 HG12 ILE 2 2HG1 ILE 2 7.545 9.564 -1.754 16 HG13 ILE 2 3HG1 ILE 2 7.775 8.281 -2.923 17 HG21 ILE 2 1HG2 ILE 2 4.297 7.311 -3.411 18 HG22 ILE 2 2HG2 ILE 2 4.898 8.640 -4.428 19 HG23 ILE 2 3HG2 ILE 2 5.942 7.262 -4.058 20 HD11 ILE 2 1HD1 ILE 2 6.625 11.021 -3.537 21 HD12 ILE 2 2HD1 ILE 2 8.288 10.485 -3.868 22 HD13 ILE 2 3HD1 ILE 2 6.928 9.722 -4.718 23 H GLY 3 H GLY 3 3.864 7.509 -0.781 24 HA2 GLY 3 2HA GLY 3 1.858 6.593 -0.092 25 HA3 GLY 3 3HA GLY 3 1.106 8.183 -0.198 26 H GLN 4 H GLN 4 1.351 8.716 -2.939 27 HA GLN 4 HA GLN 4 -0.668 7.250 -4.221 28 HB2 GLN 4 2HB GLN 4 0.036 8.420 -6.182 29 HB3 GLN 4 3HB GLN 4 0.127 9.517 -4.813 30 HG2 GLN 4 2HG GLN 4 2.588 9.234 -4.735 31 HG3 GLN 4 3HG GLN 4 2.517 8.065 -6.059 32 HE21 GLN 4 1HE2 GLN 4 4.191 9.842 -6.807 33 HE22 GLN 4 2HE2 GLN 4 3.482 11.125 -7.776 34 H ARG 5 H ARG 5 2.469 6.128 -3.475 35 HA ARG 5 HA ARG 5 2.828 4.198 -5.609 36 HB2 ARG 5 2HB ARG 5 4.161 4.889 -3.093 37 HB3 ARG 5 3HB ARG 5 3.663 3.269 -2.929 38 HG2 ARG 5 2HG ARG 5 5.779 2.998 -3.881 39 HG3 ARG 5 3HG ARG 5 4.713 2.843 -5.227 40 HD2 ARG 5 2HD ARG 5 5.001 5.472 -5.355 41 HD3 ARG 5 3HD ARG 5 6.473 5.159 -4.444 42 HE ARG 5 HE ARG 5 5.812 4.178 -7.195 43 HH11 ARG 5 1HH1 ARG 5 8.293 4.447 -4.692 44 HH12 ARG 5 2HH1 ARG 5 9.579 4.184 -5.838 45 HH21 ARG 5 1HH2 ARG 5 7.508 3.734 -8.543 46 HH22 ARG 5 2HH2 ARG 5 9.138 3.702 -7.945 47 H ILE 6 H ILE 6 1.179 3.971 -2.339 48 HA ILE 6 HA ILE 6 0.291 1.290 -2.783 49 HB ILE 6 HB ILE 6 -0.600 3.524 -0.950 50 HG12 ILE 6 2HG1 ILE 6 -0.797 1.881 0.728 51 HG13 ILE 6 3HG1 ILE 6 -0.680 0.556 -0.443 52 HG21 ILE 6 1HG2 ILE 6 -2.779 2.427 -0.369 53 HG22 ILE 6 2HG2 ILE 6 -2.795 3.163 -1.953 54 HG23 ILE 6 3HG2 ILE 6 -2.606 1.407 -1.831 55 HD11 ILE 6 1HD1 ILE 6 1.562 2.560 -0.206 56 HD12 ILE 6 2HD1 ILE 6 1.381 1.229 0.980 57 HD13 ILE 6 3HD1 ILE 6 1.562 0.851 -0.746 58 H LYS 7 H LYS 7 -1.198 4.477 -3.733 59 HA LYS 7 HA LYS 7 -3.446 3.297 -5.041 60 HB2 LYS 7 2HB LYS 7 -3.407 5.672 -4.627 61 HB3 LYS 7 3HB LYS 7 -1.964 5.908 -5.604 62 HG2 LYS 7 2HG LYS 7 -3.128 5.523 -7.647 63 HG3 LYS 7 3HG LYS 7 -4.504 4.815 -6.811 64 HD2 LYS 7 2HD LYS 7 -5.073 7.040 -7.613 65 HD3 LYS 7 3HD LYS 7 -5.065 7.039 -5.844 66 HE2 LYS 7 2HE LYS 7 -2.803 8.063 -5.845 67 HE3 LYS 7 3HE LYS 7 -2.767 8.005 -7.613 68 HZ1 LYS 7 1HZ LYS 7 -4.709 9.582 -6.004 69 HZ2 LYS 7 2HZ LYS 7 -4.669 9.530 -7.636 70 HZ3 LYS 7 3HZ LYS 7 -3.433 10.201 -6.812 71 H GLN 8 H GLN 8 -0.443 4.291 -6.596 72 HA GLN 8 HA GLN 8 -0.711 3.457 -9.213 73 HB2 GLN 8 2HB GLN 8 1.327 4.622 -8.137 74 HB3 GLN 8 3HB GLN 8 1.701 3.149 -7.301 75 HG2 GLN 8 2HG GLN 8 2.192 1.996 -9.427 76 HG3 GLN 8 3HG GLN 8 1.718 3.468 -10.270 77 HE21 GLN 8 1HE2 GLN 8 3.895 3.321 -11.270 78 HE22 GLN 8 2HE2 GLN 8 5.250 3.984 -10.373 79 H TYR 9 H TYR 9 0.651 1.455 -6.592 80 HA TYR 9 HA TYR 9 0.705 -0.950 -8.230 81 HB2 TYR 9 2HB TYR 9 0.985 -0.377 -5.329 82 HB3 TYR 9 3HB TYR 9 1.403 -1.897 -6.122 83 HD1 TYR 9 HD1 TYR 9 3.116 0.028 -4.372 84 HD2 TYR 9 HD2 TYR 9 2.767 -0.634 -8.636 85 HE1 TYR 9 HE1 TYR 9 5.472 0.567 -4.669 86 HE2 TYR 9 HE2 TYR 9 5.107 0.107 -8.945 87 HH TYR 9 HH TYR 9 7.056 0.689 -7.915 88 H ARG 10 H ARG 10 -1.544 0.180 -5.630 89 HA ARG 10 HA ARG 10 -3.032 -2.161 -5.521 90 HB2 ARG 10 2HB ARG 10 -3.579 -0.548 -3.955 91 HB3 ARG 10 3HB ARG 10 -3.681 0.758 -5.128 92 HG2 ARG 10 2HG ARG 10 -5.861 -0.286 -5.853 93 HG3 ARG 10 3HG ARG 10 -5.594 -1.349 -4.437 94 HD2 ARG 10 2HD ARG 10 -6.911 0.357 -3.619 95 HD3 ARG 10 3HD ARG 10 -5.317 0.705 -3.034 96 HE ARG 10 HE ARG 10 -5.652 2.760 -3.792 97 HH11 ARG 10 1HH1 ARG 10 -6.485 4.452 -4.726 98 HH12 ARG 10 2HH1 ARG 10 -7.446 4.295 -6.181 99 HH21 ARG 10 1HH2 ARG 10 -7.238 0.864 -6.337 100 HH22 ARG 10 2HH2 ARG 10 -7.900 2.311 -7.031 101 H LYS 11 H LYS 11 -3.637 0.704 -7.669 102 HA LYS 11 HA LYS 11 -5.769 -0.517 -9.057 103 HB2 LYS 11 2HB LYS 11 -5.260 0.925 -11.008 104 HB3 LYS 11 3HB LYS 11 -5.585 1.739 -9.464 105 HG2 LYS 11 2HG LYS 11 -3.447 2.592 -9.552 106 HG3 LYS 11 3HG LYS 11 -2.787 1.156 -10.097 107 HD2 LYS 11 2HD LYS 11 -2.416 2.540 -11.869 108 HD3 LYS 11 3HD LYS 11 -3.605 1.408 -12.385 109 HE2 LYS 11 2HE LYS 11 -5.418 3.093 -11.971 110 HE3 LYS 11 3HE LYS 11 -4.217 4.240 -11.371 111 HZ1 LYS 11 1HZ LYS 11 -3.210 4.244 -13.599 112 HZ2 LYS 11 2HZ LYS 11 -4.780 4.674 -13.698 113 HZ3 LYS 11 3HZ LYS 11 -4.320 3.176 -14.150 114 H GLU 12 H GLU 12 -2.246 -0.510 -9.761 115 HA GLU 12 HA GLU 12 -2.517 -1.764 -12.252 116 HB2 GLU 12 2HB GLU 12 -0.818 -0.262 -11.684 117 HB3 GLU 12 3HB GLU 12 -0.179 -1.305 -10.447 118 HG2 GLU 12 2HG GLU 12 -0.299 -1.996 -13.359 119 HG3 GLU 12 3HG GLU 12 1.053 -1.086 -12.657 120 H LYS 13 H LYS 13 -2.212 -3.080 -9.006 121 HA LYS 13 HA LYS 13 -1.921 -5.904 -9.669 122 HB2 LYS 13 2HB LYS 13 -2.754 -4.505 -7.105 123 HB3 LYS 13 3HB LYS 13 -2.563 -6.197 -7.292 124 HG2 LYS 13 2HG LYS 13 -0.198 -4.463 -7.917 125 HG3 LYS 13 3HG LYS 13 -0.629 -4.809 -6.272 126 HD2 LYS 13 2HD LYS 13 1.183 -6.245 -7.319 127 HD3 LYS 13 3HD LYS 13 -0.120 -7.071 -6.432 128 HE2 LYS 13 2HE LYS 13 -1.266 -7.594 -8.558 129 HE3 LYS 13 3HE LYS 13 0.028 -6.793 -9.457 130 HZ1 LYS 13 1HZ LYS 13 1.570 -8.484 -8.497 131 HZ2 LYS 13 2HZ LYS 13 0.378 -9.196 -9.362 132 HZ3 LYS 13 3HZ LYS 13 0.322 -9.202 -7.729 133 H GLY 14 H GLY 14 -4.619 -3.789 -9.680 134 HA2 GLY 14 2HA GLY 14 -6.812 -4.473 -10.439 135 HA3 GLY 14 3HA GLY 14 -6.469 -6.152 -10.025 136 H TYR 15 H TYR 15 -5.664 -3.640 -7.823 137 HA TYR 15 HA TYR 15 -7.739 -4.537 -5.903 138 HB2 TYR 15 2HB TYR 15 -5.115 -3.070 -5.548 139 HB3 TYR 15 3HB TYR 15 -6.093 -3.638 -4.259 140 HD1 TYR 15 HD1 TYR 15 -6.469 -6.371 -6.157 141 HD2 TYR 15 HD2 TYR 15 -3.185 -4.109 -4.509 142 HE1 TYR 15 HE1 TYR 15 -5.033 -8.406 -6.209 143 HE2 TYR 15 HE2 TYR 15 -1.825 -6.222 -4.358 144 HH TYR 15 HH TYR 15 -3.035 -9.342 -5.608 145 H SER 16 H SER 16 -8.205 -3.011 -4.306 146 HA SER 16 HA SER 16 -8.792 -0.245 -4.980 147 HB2 SER 16 2HB SER 16 -11.067 -0.435 -4.134 148 HB3 SER 16 3HB SER 16 -10.928 -1.640 -5.466 149 HG SER 16 HG SER 16 -11.780 -2.826 -3.865 150 H LEU 17 H LEU 17 -9.827 0.653 -2.773 151 HA LEU 17 HA LEU 17 -7.574 0.409 -1.041 152 HB2 LEU 17 2HB LEU 17 -10.203 1.803 -0.359 153 HB3 LEU 17 3HB LEU 17 -8.686 1.939 0.355 154 HG LEU 17 HG LEU 17 -7.831 2.603 -2.083 155 HD11 LEU 17 1HD1 LEU 17 -9.675 3.944 -3.173 156 HD12 LEU 17 2HD1 LEU 17 -10.808 3.120 -2.050 157 HD13 LEU 17 3HD1 LEU 17 -9.880 2.195 -3.257 158 HD21 LEU 17 1HD2 LEU 17 -8.464 4.988 -1.495 159 HD22 LEU 17 2HD2 LEU 17 -7.631 4.027 -0.270 160 HD23 LEU 17 3HD2 LEU 17 -9.395 4.301 -0.121 161 H SER 18 H SER 18 -10.616 -1.159 -1.168 162 HA SER 18 HA SER 18 -10.451 -2.320 1.579 163 HB2 SER 18 2HB SER 18 -12.566 -1.507 1.101 164 HB3 SER 18 3HB SER 18 -12.517 -2.062 -0.565 165 HG SER 18 HG SER 18 -13.892 -3.360 0.790 166 H GLU 19 H GLU 19 -10.454 -3.435 -1.868 167 HA GLU 19 HA GLU 19 -9.878 -6.216 -1.440 168 HB2 GLU 19 3HB GLU 19 -9.107 -4.233 -3.555 169 HB3 GLU 19 2HB GLU 19 -8.413 -5.775 -3.618 170 HG2 GLU 19 2HG GLU 19 -10.478 -5.221 -5.004 171 HG3 GLU 19 3HG GLU 19 -10.343 -6.817 -4.247 172 H LEU 20 H LEU 20 -7.643 -3.440 -1.920 173 HA LEU 20 HA LEU 20 -5.324 -4.945 -1.646 174 HB2 LEU 20 2HB LEU 20 -5.723 -2.562 -2.574 175 HB3 LEU 20 3HB LEU 20 -5.668 -1.953 -0.996 176 HG LEU 20 HG LEU 20 -3.764 -2.550 -3.086 177 HD11 LEU 20 1HD1 LEU 20 -2.309 -1.142 -1.897 178 HD12 LEU 20 2HD1 LEU 20 -3.195 -1.435 -0.375 179 HD13 LEU 20 3HD1 LEU 20 -3.979 -0.530 -1.717 180 HD21 LEU 20 1HD2 LEU 20 -1.978 -3.614 -1.944 181 HD22 LEU 20 2HD2 LEU 20 -3.389 -4.652 -2.070 182 HD23 LEU 20 3HD2 LEU 20 -3.009 -3.866 -0.508 183 H ALA 21 H ALA 21 -7.147 -3.015 0.795 184 HA ALA 21 HA ALA 21 -5.528 -3.656 2.964 185 HB1 ALA 21 1HB ALA 21 -7.414 -3.164 4.383 186 HB2 ALA 21 2HB ALA 21 -7.348 -2.027 3.019 187 HB3 ALA 21 3HB ALA 21 -8.544 -3.339 3.018 188 H GLU 22 H GLU 22 -8.195 -5.692 1.747 189 HA GLU 22 HA GLU 22 -7.926 -7.609 3.944 190 HB2 GLU 22 2HB GLU 22 -9.336 -9.104 2.733 191 HB3 GLU 22 3HB GLU 22 -10.060 -7.483 2.740 192 HG2 GLU 22 2HG GLU 22 -9.858 -7.216 0.478 193 HG3 GLU 22 3HG GLU 22 -8.484 -8.302 0.441 194 H LYS 23 H LYS 23 -6.401 -7.235 0.817 195 HA LYS 23 HA LYS 23 -5.191 -9.909 0.738 196 HB2 LYS 23 2HB LYS 23 -4.688 -7.324 -0.792 197 HB3 LYS 23 3HB LYS 23 -3.900 -8.874 -1.171 198 HG2 LYS 23 2HG LYS 23 -6.029 -9.912 -1.682 199 HG3 LYS 23 3HG LYS 23 -6.898 -8.540 -1.110 200 HD2 LYS 23 2HD LYS 23 -5.645 -7.150 -3.028 201 HD3 LYS 23 3HD LYS 23 -5.392 -8.741 -3.720 202 HE2 LYS 23 2HE LYS 23 -8.106 -7.707 -2.839 203 HE3 LYS 23 3HE LYS 23 -7.512 -7.688 -4.500 204 HZ1 LYS 23 1HZ LYS 23 -8.906 -9.614 -4.146 205 HZ2 LYS 23 2HZ LYS 23 -8.046 -10.109 -2.860 206 HZ3 LYS 23 3HZ LYS 23 -7.381 -10.155 -4.360 207 H ALA 24 H ALA 24 -3.923 -6.599 1.206 208 HA ALA 24 HA ALA 24 -1.355 -7.005 2.029 209 HB1 ALA 24 1HB ALA 24 -1.833 -4.804 3.312 210 HB2 ALA 24 2HB ALA 24 -2.349 -4.869 1.590 211 HB3 ALA 24 3HB ALA 24 -3.551 -5.080 2.864 212 H GLY 25 H GLY 25 -4.351 -7.167 3.993 213 HA2 GLY 25 2HA GLY 25 -4.621 -8.248 6.103 214 HA3 GLY 25 3HA GLY 25 -2.871 -8.295 6.318 215 H VAL 26 H VAL 26 -4.938 -5.543 5.500 216 HA VAL 26 HA VAL 26 -3.968 -4.036 7.915 217 HB VAL 26 HB VAL 26 -3.406 -2.187 6.673 218 HG11 VAL 26 1HG1 VAL 26 -2.078 -4.749 5.732 219 HG12 VAL 26 2HG1 VAL 26 -1.390 -3.113 5.576 220 HG13 VAL 26 3HG1 VAL 26 -1.832 -3.789 7.217 221 HG21 VAL 26 1HG2 VAL 26 -4.916 -2.364 4.884 222 HG22 VAL 26 2HG2 VAL 26 -3.243 -2.267 4.279 223 HG23 VAL 26 3HG2 VAL 26 -4.055 -3.874 4.360 224 H ALA 27 H ALA 27 -5.134 -1.830 7.638 225 HA ALA 27 HA ALA 27 -8.089 -2.356 7.723 226 HB1 ALA 27 1HB ALA 27 -8.145 -0.167 8.852 227 HB2 ALA 27 2HB ALA 27 -6.927 -1.243 9.598 228 HB3 ALA 27 3HB ALA 27 -6.406 0.057 8.517 229 H LYS 28 H LYS 28 -9.537 -1.453 6.042 230 HA LYS 28 HA LYS 28 -8.339 -0.295 3.673 231 HB2 LYS 28 2HB LYS 28 -10.685 -1.085 3.580 232 HB3 LYS 28 3HB LYS 28 -11.184 0.198 4.705 233 HG2 LYS 28 2HG LYS 28 -9.710 1.041 2.203 234 HG3 LYS 28 3HG LYS 28 -11.330 0.499 2.057 235 HD2 LYS 28 2HD LYS 28 -12.088 2.164 3.750 236 HD3 LYS 28 3HD LYS 28 -10.493 2.898 3.440 237 HE2 LYS 28 2HE LYS 28 -10.915 3.288 1.172 238 HE3 LYS 28 3HE LYS 28 -12.323 2.239 1.146 239 HZ1 LYS 28 1HZ LYS 28 -12.167 4.803 2.660 240 HZ2 LYS 28 2HZ LYS 28 -13.481 3.839 2.571 241 HZ3 LYS 28 3HZ LYS 28 -12.949 4.605 1.236 242 H SER 29 H SER 29 -9.593 1.156 6.628 243 HA SER 29 HA SER 29 -9.474 3.772 5.781 244 HB2 SER 29 2HB SER 29 -10.550 3.075 7.878 245 HB3 SER 29 3HB SER 29 -8.974 2.649 8.561 246 HG SER 29 HG SER 29 -9.974 5.239 7.925 247 H TYR 30 H TYR 30 -6.817 1.626 6.657 248 HA TYR 30 HA TYR 30 -4.714 3.639 6.755 249 HB2 TYR 30 2HB TYR 30 -4.734 0.625 6.581 250 HB3 TYR 30 3HB TYR 30 -3.656 1.342 5.496 251 HD1 TYR 30 HD1 TYR 30 -2.056 3.065 6.118 252 HD2 TYR 30 HD2 TYR 30 -3.929 0.489 8.995 253 HE1 TYR 30 HE1 TYR 30 -0.103 3.338 7.544 254 HE2 TYR 30 HE2 TYR 30 -2.004 0.851 10.550 255 HH TYR 30 HH TYR 30 -0.030 1.954 10.899 256 H LEU 31 H LEU 31 -5.817 1.450 4.070 257 HA LEU 31 HA LEU 31 -4.016 2.721 2.363 258 HB2 LEU 31 3HB LEU 31 -6.537 1.156 1.681 259 HB3 LEU 31 2HB LEU 31 -5.366 1.700 0.469 260 HG LEU 31 HG LEU 31 -4.948 -0.574 0.890 261 HD11 LEU 31 1HD1 LEU 31 -2.872 0.945 2.519 262 HD12 LEU 31 2HD1 LEU 31 -2.775 0.521 0.793 263 HD13 LEU 31 3HD1 LEU 31 -2.712 -0.746 2.052 264 HD21 LEU 31 1HD2 LEU 31 -4.856 -1.637 2.842 265 HD22 LEU 31 2HD2 LEU 31 -6.099 -0.447 3.196 266 HD23 LEU 31 3HD2 LEU 31 -4.448 -0.197 3.830 267 H SER 32 H SER 32 -7.500 3.475 2.888 268 HA SER 32 HA SER 32 -7.630 5.619 0.993 269 HB2 SER 32 2HB SER 32 -9.504 6.488 2.212 270 HB3 SER 32 3HB SER 32 -9.615 4.742 1.985 271 HG SER 32 HG SER 32 -9.111 6.202 4.352 272 H SER 33 H SER 33 -6.520 5.704 4.469 273 HA SER 33 HA SER 33 -6.038 8.558 4.206 274 HB2 SER 33 2HB SER 33 -6.726 7.519 6.291 275 HB3 SER 33 3HB SER 33 -5.187 6.670 6.403 276 HG SER 33 HG SER 33 -5.345 8.726 7.568 277 H ILE 34 H ILE 34 -3.747 5.708 3.942 278 HA ILE 34 HA ILE 34 -1.375 7.035 3.501 279 HB ILE 34 HB ILE 34 -2.576 4.633 2.048 280 HG12 ILE 34 2HG1 ILE 34 -2.155 4.167 4.409 281 HG13 ILE 34 3HG1 ILE 34 -1.166 3.196 3.388 282 HG21 ILE 34 1HG2 ILE 34 -1.057 5.164 0.454 283 HG22 ILE 34 2HG2 ILE 34 -0.010 6.065 1.572 284 HG23 ILE 34 3HG2 ILE 34 0.043 4.282 1.512 285 HD11 ILE 34 1HD1 ILE 34 -0.150 5.690 4.693 286 HD12 ILE 34 2HD1 ILE 34 0.039 4.070 5.387 287 HD13 ILE 34 3HD1 ILE 34 0.800 4.454 3.843 288 H GLU 35 H GLU 35 -3.802 6.248 1.039 289 HA GLU 35 HA GLU 35 -2.731 7.871 -1.043 290 HB2 GLU 35 2HB GLU 35 -5.577 6.906 -0.573 291 HB3 GLU 35 3HB GLU 35 -5.026 7.720 -2.047 292 HG2 GLU 35 2HG GLU 35 -3.306 5.981 -2.392 293 HG3 GLU 35 3HG GLU 35 -3.817 5.143 -0.942 294 H ARG 36 H ARG 36 -4.912 8.904 1.607 295 HA ARG 36 HA ARG 36 -4.990 11.671 0.652 296 HB2 ARG 36 2HB ARG 36 -5.535 10.528 3.417 297 HB3 ARG 36 3HB ARG 36 -5.747 12.213 2.968 298 HG2 ARG 36 2HG ARG 36 -7.208 10.040 1.445 299 HG3 ARG 36 3HG ARG 36 -7.829 10.683 2.976 300 HD2 ARG 36 2HD ARG 36 -7.900 12.930 2.102 301 HD3 ARG 36 3HD ARG 36 -7.041 12.428 0.637 302 HE ARG 36 HE ARG 36 -9.423 10.881 0.846 303 HH11 ARG 36 1HH1 ARG 36 -8.580 14.222 0.204 304 HH12 ARG 36 2HH1 ARG 36 -10.025 14.503 -0.728 305 HH21 ARG 36 1HH2 ARG 36 -11.491 12.893 -1.030 306 HH22 ARG 36 2HH2 ARG 36 -11.248 11.311 -0.354 307 H ASN 37 H ASN 37 -3.407 10.702 3.701 308 HA ASN 37 HA ASN 37 -0.925 12.087 3.072 309 HB2 ASN 37 2HB ASN 37 -2.690 13.934 3.469 310 HB3 ASN 37 3HB ASN 37 -2.731 13.397 5.146 311 HD21 ASN 37 1HD2 ASN 37 -1.820 15.256 6.085 312 HD22 ASN 37 2HD2 ASN 37 -0.201 15.817 5.693 313 H LEU 38 H LEU 38 -1.947 9.496 4.417 314 HA LEU 38 HA LEU 38 -0.899 9.558 7.150 315 HB2 LEU 38 2HB LEU 38 -2.755 8.018 5.940 316 HB3 LEU 38 3HB LEU 38 -1.394 7.029 5.625 317 HG LEU 38 HG LEU 38 -2.850 7.618 8.152 318 HD11 LEU 38 1HD1 LEU 38 -2.875 5.182 8.271 319 HD12 LEU 38 2HD1 LEU 38 -1.748 5.121 6.894 320 HD13 LEU 38 3HD1 LEU 38 -3.390 5.697 6.654 321 HD21 LEU 38 1HD2 LEU 38 -1.193 6.364 9.467 322 HD22 LEU 38 2HD2 LEU 38 -0.485 7.883 8.879 323 HD23 LEU 38 3HD2 LEU 38 -0.102 6.338 8.072 324 H GLN 39 H GLN 39 0.171 8.386 3.955 325 HA GLN 39 HA GLN 39 2.447 7.036 4.968 326 HB2 GLN 39 2HB GLN 39 1.323 6.444 3.006 327 HB3 GLN 39 3HB GLN 39 1.782 7.920 2.147 328 HG2 GLN 39 2HG GLN 39 3.028 5.688 1.654 329 HG3 GLN 39 3HG GLN 39 3.980 7.129 1.894 330 HE21 GLN 39 1HE2 GLN 39 2.825 4.143 3.472 331 HE22 GLN 39 2HE2 GLN 39 4.094 4.110 4.683 332 H THR 40 H THR 40 3.297 8.458 6.343 333 HA THR 40 HA THR 40 5.324 10.370 5.294 334 HB THR 40 HB THR 40 4.893 11.777 7.194 335 HG1 THR 40 HG1 THR 40 4.409 10.270 8.749 336 HG21 THR 40 1HG2 THR 40 2.127 10.968 6.113 337 HG22 THR 40 2HG2 THR 40 3.273 12.036 5.277 338 HG23 THR 40 3HG2 THR 40 2.595 12.509 6.842 339 H ASN 41 H ASN 41 5.746 7.631 5.506 340 HA ASN 41 HA ASN 41 6.673 5.865 6.460 341 HB2 ASN 41 2HB ASN 41 8.723 7.232 6.283 342 HB3 ASN 41 3HB ASN 41 8.477 7.802 7.936 343 HD21 ASN 41 1HD2 ASN 41 10.649 6.849 8.308 344 HD22 ASN 41 2HD2 ASN 41 10.745 5.120 8.615 345 HA PRO 42 HA PRO 42 4.051 6.531 10.251 346 HB2 PRO 42 2HB PRO 42 1.782 5.199 9.598 347 HB3 PRO 42 3HB PRO 42 2.166 6.821 8.950 348 HG2 PRO 42 2HG PRO 42 2.546 4.132 7.590 349 HG3 PRO 42 3HG PRO 42 1.838 5.623 6.912 350 HD2 PRO 42 2HD PRO 42 4.483 4.890 6.551 351 HD3 PRO 42 3HD PRO 42 3.916 6.581 6.572 352 H SER 43 H SER 43 4.088 3.366 8.514 353 HA SER 43 HA SER 43 5.038 1.950 10.978 354 HB2 SER 43 2HB SER 43 2.627 1.868 11.145 355 HB3 SER 43 3HB SER 43 2.533 1.371 9.447 356 HG SER 43 HG SER 43 3.393 -0.084 11.720 357 H ILE 44 H ILE 44 6.837 0.990 10.330 358 HA ILE 44 HA ILE 44 7.364 0.032 7.680 359 HB ILE 44 HB ILE 44 8.533 -0.887 10.328 360 HG12 ILE 44 2HG1 ILE 44 8.953 1.506 9.959 361 HG13 ILE 44 3HG1 ILE 44 10.423 0.560 9.860 362 HG21 ILE 44 1HG2 ILE 44 9.440 -1.421 7.469 363 HG22 ILE 44 2HG2 ILE 44 10.469 -1.664 8.899 364 HG23 ILE 44 3HG2 ILE 44 8.991 -2.606 8.708 365 HD11 ILE 44 1HD1 ILE 44 10.387 0.725 7.376 366 HD12 ILE 44 2HD1 ILE 44 8.892 1.685 7.473 367 HD13 ILE 44 3HD1 ILE 44 10.398 2.311 8.157 368 H GLN 45 H GLN 45 5.807 -1.543 10.503 369 HA GLN 45 HA GLN 45 5.744 -4.174 9.494 370 HB2 GLN 45 2HB GLN 45 5.321 -3.572 11.813 371 HB3 GLN 45 3HB GLN 45 3.799 -2.785 11.368 372 HG2 GLN 45 2HG GLN 45 2.858 -4.941 10.634 373 HG3 GLN 45 3HG GLN 45 4.412 -5.736 10.906 374 HE21 GLN 45 1HE2 GLN 45 2.795 -7.151 12.221 375 HE22 GLN 45 2HE2 GLN 45 2.591 -6.673 13.901 376 H PHE 46 H PHE 46 3.245 -1.666 9.259 377 HA PHE 46 HA PHE 46 1.286 -3.059 7.556 378 HB2 PHE 46 2HB PHE 46 0.513 -1.079 8.676 379 HB3 PHE 46 3HB PHE 46 1.971 -0.192 8.261 380 HD1 PHE 46 HD1 PHE 46 -1.317 -1.190 7.037 381 HD2 PHE 46 HD2 PHE 46 2.365 0.800 6.057 382 HE1 PHE 46 HE1 PHE 46 -2.293 -0.470 4.883 383 HE2 PHE 46 HE2 PHE 46 1.461 1.419 3.818 384 HZ PHE 46 HZ PHE 46 -0.906 0.913 3.301 385 H LEU 47 H LEU 47 4.164 -1.114 6.940 386 HA LEU 47 HA LEU 47 3.696 -0.998 4.067 387 HB2 LEU 47 2HB LEU 47 6.165 -0.593 5.820 388 HB3 LEU 47 3HB LEU 47 6.303 -0.581 4.086 389 HG LEU 47 HG LEU 47 4.445 1.361 5.522 390 HD11 LEU 47 1HD1 LEU 47 6.673 1.620 6.542 391 HD12 LEU 47 2HD1 LEU 47 6.254 3.005 5.538 392 HD13 LEU 47 3HD1 LEU 47 7.395 1.794 4.914 393 HD21 LEU 47 1HD2 LEU 47 5.859 1.239 2.856 394 HD22 LEU 47 2HD2 LEU 47 5.262 2.754 3.471 395 HD23 LEU 47 3HD2 LEU 47 4.113 1.425 3.191 396 H GLU 48 H GLU 48 5.645 -3.234 6.119 397 HA GLU 48 HA GLU 48 6.454 -4.951 4.066 398 HB2 GLU 48 2HB GLU 48 5.467 -6.312 6.554 399 HB3 GLU 48 3HB GLU 48 6.856 -6.635 5.541 400 HG2 GLU 48 2HG GLU 48 7.796 -4.392 6.575 401 HG3 GLU 48 3HG GLU 48 6.481 -4.608 7.715 402 H LYS 49 H LYS 49 3.393 -5.028 5.929 403 HA LYS 49 HA LYS 49 2.103 -7.240 4.782 404 HB2 LYS 49 2HB LYS 49 0.898 -4.575 5.681 405 HB3 LYS 49 3HB LYS 49 -0.016 -5.939 5.469 406 HG2 LYS 49 2HG LYS 49 2.067 -6.791 7.231 407 HG3 LYS 49 3HG LYS 49 1.719 -5.111 7.645 408 HD2 LYS 49 2HD LYS 49 0.358 -6.391 9.081 409 HD3 LYS 49 3HD LYS 49 -0.709 -5.701 7.861 410 HE2 LYS 49 2HE LYS 49 -1.371 -7.977 8.269 411 HE3 LYS 49 3HE LYS 49 -0.714 -7.874 6.639 412 HZ1 LYS 49 1HZ LYS 49 1.366 -8.838 7.502 413 HZ2 LYS 49 2HZ LYS 49 0.115 -9.824 7.838 414 HZ3 LYS 49 3HZ LYS 49 0.752 -8.900 9.019 415 H VAL 50 H VAL 50 1.564 -3.906 3.687 416 HA VAL 50 HA VAL 50 0.122 -4.938 1.249 417 HB VAL 50 HB VAL 50 -1.041 -3.175 2.132 418 HG11 VAL 50 1HG1 VAL 50 0.170 -0.954 2.447 419 HG12 VAL 50 2HG1 VAL 50 0.176 -2.272 3.654 420 HG13 VAL 50 3HG1 VAL 50 1.627 -1.999 2.613 421 HG21 VAL 50 1HG2 VAL 50 -0.683 -3.055 -0.304 422 HG22 VAL 50 2HG2 VAL 50 -1.129 -1.512 0.482 423 HG23 VAL 50 3HG2 VAL 50 0.540 -1.775 0.010 424 H SER 51 H SER 51 3.322 -3.416 1.857 425 HA SER 51 HA SER 51 3.967 -3.109 -0.974 426 HB2 SER 51 2HB SER 51 6.138 -2.767 -0.373 427 HB3 SER 51 3HB SER 51 5.363 -2.316 1.113 428 HG SER 51 HG SER 51 6.767 -4.689 0.457 429 H ALA 52 H ALA 52 4.243 -5.780 1.334 430 HA ALA 52 HA ALA 52 5.419 -7.720 -0.446 431 HB1 ALA 52 1HB ALA 52 4.308 -9.412 1.086 432 HB2 ALA 52 2HB ALA 52 5.288 -8.194 1.923 433 HB3 ALA 52 3HB ALA 52 3.516 -8.046 1.912 434 H VAL 53 H VAL 53 1.997 -6.963 0.274 435 HA VAL 53 HA VAL 53 0.977 -8.712 -1.757 436 HB VAL 53 HB VAL 53 0.005 -7.237 0.374 437 HG11 VAL 53 1HG1 VAL 53 -2.018 -6.124 -0.320 438 HG12 VAL 53 2HG1 VAL 53 -0.624 -5.254 -0.920 439 HG13 VAL 53 3HG1 VAL 53 -1.600 -6.292 -2.023 440 HG21 VAL 53 1HG2 VAL 53 -1.795 -8.484 0.172 441 HG22 VAL 53 2HG2 VAL 53 -1.711 -8.644 -1.636 442 HG23 VAL 53 3HG2 VAL 53 -0.578 -9.511 -0.538 443 H LEU 54 H LEU 54 1.945 -5.344 -2.028 444 HA LEU 54 HA LEU 54 0.929 -5.047 -4.728 445 HB2 LEU 54 2HB LEU 54 2.713 -3.273 -2.972 446 HB3 LEU 54 3HB LEU 54 2.217 -2.858 -4.552 447 HG LEU 54 HG LEU 54 0.353 -3.437 -2.273 448 HD11 LEU 54 1HD1 LEU 54 1.363 -0.837 -3.416 449 HD12 LEU 54 2HD1 LEU 54 1.596 -1.496 -1.839 450 HD13 LEU 54 3HD1 LEU 54 -0.031 -0.962 -2.318 451 HD21 LEU 54 1HD2 LEU 54 -0.291 -2.715 -5.164 452 HD22 LEU 54 2HD2 LEU 54 -1.434 -2.215 -3.922 453 HD23 LEU 54 3HD2 LEU 54 -1.070 -3.907 -4.162 454 H ASP 55 H ASP 55 3.442 -6.905 -3.829 455 HA ASP 55 HA ASP 55 5.244 -7.775 -4.872 456 HB2 ASP 55 2HB ASP 55 4.171 -6.369 -7.323 457 HB3 ASP 55 3HB ASP 55 5.638 -7.250 -7.354 458 H VAL 56 H VAL 56 5.434 -5.540 -3.315 459 HA VAL 56 HA VAL 56 7.625 -3.837 -4.428 460 HB VAL 56 HB VAL 56 4.780 -3.493 -3.621 461 HG11 VAL 56 1HG1 VAL 56 5.770 -1.841 -2.113 462 HG12 VAL 56 2HG1 VAL 56 6.503 -1.060 -3.529 463 HG13 VAL 56 3HG1 VAL 56 4.715 -1.272 -3.378 464 HG21 VAL 56 1HG2 VAL 56 6.496 -2.155 -5.701 465 HG22 VAL 56 2HG2 VAL 56 5.671 -3.729 -5.953 466 HG23 VAL 56 3HG2 VAL 56 4.698 -2.306 -5.647 467 H SER 57 H SER 57 8.575 -2.297 -2.697 468 HA SER 57 HA SER 57 9.270 -4.149 -0.503 469 HB2 SER 57 2HB SER 57 11.193 -2.494 -2.138 470 HB3 SER 57 3HB SER 57 11.587 -3.820 -1.043 471 HG SER 57 HG SER 57 10.669 -5.285 -2.445 472 H VAL 58 H VAL 58 7.690 -2.259 0.481 473 HA VAL 58 HA VAL 58 7.454 -1.046 2.330 474 HB VAL 58 HB VAL 58 10.208 -2.166 3.037 475 HG11 VAL 58 1HG1 VAL 58 9.370 -0.292 4.641 476 HG12 VAL 58 2HG1 VAL 58 8.107 -1.476 5.090 477 HG13 VAL 58 3HG1 VAL 58 9.793 -1.868 5.323 478 HG21 VAL 58 1HG2 VAL 58 8.852 -3.864 4.298 479 HG22 VAL 58 2HG2 VAL 58 7.397 -3.117 3.608 480 HG23 VAL 58 3HG2 VAL 58 8.578 -3.941 2.551 481 H HIS 59 H HIS 59 10.871 -0.325 1.394 482 HA HIS 59 HA HIS 59 10.636 2.520 2.092 483 HB2 HIS 59 2HB HIS 59 12.403 2.614 0.088 484 HB3 HIS 59 3HB HIS 59 12.785 2.230 1.709 485 HD1 HIS 59 HD1 HIS 59 14.435 0.326 1.909 486 HD2 HIS 59 HD2 HIS 59 12.003 0.115 -1.522 487 HE1 HIS 59 HE1 HIS 59 15.239 -1.708 0.570 488 H THR 60 H THR 60 10.135 0.526 -0.742 489 HA THR 60 HA THR 60 10.011 2.347 -2.817 490 HB THR 60 HB THR 60 8.039 0.081 -2.379 491 HG1 THR 60 HG1 THR 60 10.509 -0.163 -3.683 492 HG21 THR 60 1HG2 THR 60 9.185 1.464 -4.774 493 HG22 THR 60 2HG2 THR 60 7.481 1.361 -4.267 494 HG23 THR 60 3HG2 THR 60 8.269 -0.106 -4.885 495 H LEU 61 H LEU 61 7.337 1.572 -0.653 496 HA LEU 61 HA LEU 61 5.382 3.234 -1.852 497 HB2 LEU 61 2HB LEU 61 5.679 2.300 0.982 498 HB3 LEU 61 3HB LEU 61 4.163 2.767 0.239 499 HG LEU 61 HG LEU 61 5.854 0.316 -0.628 500 HD11 LEU 61 1HD1 LEU 61 3.491 0.625 1.239 501 HD12 LEU 61 2HD1 LEU 61 5.071 -0.202 1.394 502 HD13 LEU 61 3HD1 LEU 61 3.818 -0.868 0.324 503 HD21 LEU 61 1HD2 LEU 61 3.630 -0.089 -1.895 504 HD22 LEU 61 2HD2 LEU 61 4.734 1.156 -2.548 505 HD23 LEU 61 3HD2 LEU 61 3.320 1.642 -1.649 506 H LEU 62 H LEU 62 7.599 3.994 0.892 507 HA LEU 62 HA LEU 62 6.485 6.724 1.086 508 HB2 LEU 62 2HB LEU 62 7.741 6.955 3.039 509 HB3 LEU 62 3HB LEU 62 7.180 5.306 3.047 510 HG LEU 62 HG LEU 62 9.666 5.024 1.838 511 HD11 LEU 62 1HD1 LEU 62 11.301 6.212 3.175 512 HD12 LEU 62 2HD1 LEU 62 10.003 7.166 3.934 513 HD13 LEU 62 3HD1 LEU 62 10.350 7.311 2.184 514 HD21 LEU 62 1HD2 LEU 62 8.734 3.607 3.506 515 HD22 LEU 62 2HD2 LEU 62 9.005 4.841 4.769 516 HD23 LEU 62 3HD2 LEU 62 10.389 4.077 3.941 517 H ASP 63 H ASP 63 9.080 5.084 -0.465 518 HA ASP 63 HA ASP 63 10.812 7.436 -0.710 519 HB2 ASP 63 2HB ASP 63 11.677 5.592 0.468 520 HB3 ASP 63 3HB ASP 63 11.339 4.479 -0.906 521 H GLU 64 H GLU 64 12.312 7.370 -2.418 522 HA GLU 64 HA GLU 64 11.013 7.543 -5.112 523 HB2 GLU 64 2HB GLU 64 12.327 9.688 -5.228 524 HB3 GLU 64 3HB GLU 64 11.090 9.646 -3.969 525 HG2 GLU 64 2HG GLU 64 12.792 9.197 -2.231 526 HG3 GLU 64 3HG GLU 64 14.049 9.091 -3.475 527 H LYS 65 H LYS 65 13.417 5.928 -3.590 528 HA LYS 65 HA LYS 65 15.170 5.550 -5.980 529 HB2 LYS 65 2HB LYS 65 17.176 5.769 -4.544 530 HB3 LYS 65 3HB LYS 65 16.206 7.247 -4.536 531 HG2 LYS 65 2HG LYS 65 15.082 6.198 -2.490 532 HG3 LYS 65 3HG LYS 65 16.457 5.164 -2.311 533 HD2 LYS 65 2HD LYS 65 16.419 8.220 -2.329 534 HD3 LYS 65 3HD LYS 65 16.156 7.244 -0.881 535 HE2 LYS 65 2HE LYS 65 18.667 6.992 -2.634 536 HE3 LYS 65 3HE LYS 65 18.549 8.216 -1.366 537 HZ1 LYS 65 1HZ LYS 65 18.268 5.301 -0.841 538 HZ2 LYS 65 2HZ LYS 65 18.269 6.492 0.278 539 HZ3 LYS 65 3HZ LYS 65 19.627 6.181 -0.575 540 H HIS 66 H HIS 66 13.779 4.151 -3.042 541 HA HIS 66 HA HIS 66 13.418 2.144 -2.345 542 HB2 HIS 66 2HB HIS 66 12.800 0.360 -3.865 543 HB3 HIS 66 3HB HIS 66 12.104 1.899 -4.310 544 HD1 HIS 66 HD1 HIS 66 12.604 2.779 -6.752 545 HD2 HIS 66 HD2 HIS 66 14.894 -0.539 -5.543 546 HE1 HIS 66 HE1 HIS 66 13.819 1.955 -8.833 547 H GLU 67 H GLU 67 15.942 2.988 -1.940 548 HA GLU 67 HA GLU 67 17.376 0.476 -1.507 549 HB2 GLU 67 2HB GLU 67 17.983 1.200 -3.865 550 HB3 GLU 67 3HB GLU 67 18.699 2.658 -3.171 551 HG2 GLU 67 2HG GLU 67 20.292 1.266 -1.889 552 HG3 GLU 67 3HG GLU 67 19.471 -0.189 -2.473 553 H THR 68 H THR 68 18.659 0.587 0.271 554 HA THR 68 HA THR 68 19.512 1.210 2.210 555 HB THR 68 HB THR 68 20.096 3.859 0.864 556 HG1 THR 68 HG1 THR 68 20.957 2.039 -0.164 557 HG21 THR 68 1HG2 THR 68 22.064 3.959 2.405 558 HG22 THR 68 2HG2 THR 68 21.356 2.624 3.343 559 HG23 THR 68 3HG2 THR 68 20.519 4.192 3.223 560 H GLU 69 H GLU 69 16.893 3.023 1.240 561 HA GLU 69 HA GLU 69 16.250 4.205 3.864 562 HB2 GLU 69 2HB GLU 69 14.427 3.852 1.450 563 HB3 GLU 69 3HB GLU 69 14.105 4.825 2.876 564 HG2 GLU 69 2HG GLU 69 16.053 5.320 0.638 565 HG3 GLU 69 3HG GLU 69 14.759 6.353 1.234 Start of MODEL 7 1 H1 MET 1 1H MET 1 8.836 9.572 1.345 2 H2 MET 1 2H MET 1 8.454 10.342 2.748 3 H3 MET 1 3H MET 1 8.560 11.185 1.344 4 HA MET 1 HA MET 1 6.554 9.106 1.932 5 HB2 MET 1 2HB MET 1 6.024 11.102 3.199 6 HB3 MET 1 3HB MET 1 6.306 12.135 1.794 7 HG2 MET 1 2HG MET 1 4.360 11.104 0.639 8 HG3 MET 1 3HG MET 1 4.070 10.093 2.056 9 HE1 MET 1 1HE MET 1 1.586 10.799 2.283 10 HE2 MET 1 2HE MET 1 1.018 12.479 2.184 11 HE3 MET 1 3HE MET 1 1.768 11.711 0.765 12 H ILE 2 H ILE 2 5.452 8.310 0.229 13 HA ILE 2 HA ILE 2 5.182 10.032 -2.178 14 HB ILE 2 HB ILE 2 5.564 7.056 -2.456 15 HG12 ILE 2 2HG1 ILE 2 7.726 8.184 -2.044 16 HG13 ILE 2 3HG1 ILE 2 7.572 7.333 -3.566 17 HG21 ILE 2 1HG2 ILE 2 5.517 7.642 -4.916 18 HG22 ILE 2 2HG2 ILE 2 3.973 7.753 -4.064 19 HG23 ILE 2 3HG2 ILE 2 4.891 9.228 -4.442 20 HD11 ILE 2 1HD1 ILE 2 7.192 10.328 -3.316 21 HD12 ILE 2 2HD1 ILE 2 8.731 9.538 -3.741 22 HD13 ILE 2 3HD1 ILE 2 7.319 9.367 -4.803 23 H GLY 3 H GLY 3 3.870 7.074 -0.585 24 HA2 GLY 3 2HA GLY 3 1.739 6.575 0.165 25 HA3 GLY 3 3HA GLY 3 1.246 8.242 -0.116 26 H GLN 4 H GLN 4 1.349 8.685 -2.747 27 HA GLN 4 HA GLN 4 -0.705 7.153 -3.955 28 HB2 GLN 4 2HB GLN 4 -0.233 8.407 -5.890 29 HB3 GLN 4 3HB GLN 4 -0.074 9.495 -4.523 30 HG2 GLN 4 2HG GLN 4 2.365 9.419 -4.690 31 HG3 GLN 4 3HG GLN 4 2.292 8.162 -5.935 32 HE21 GLN 4 1HE2 GLN 4 3.766 10.014 -6.899 33 HE22 GLN 4 2HE2 GLN 4 2.892 11.167 -7.897 34 H ARG 5 H ARG 5 2.484 6.174 -3.312 35 HA ARG 5 HA ARG 5 2.868 4.302 -5.499 36 HB2 ARG 5 2HB ARG 5 4.257 4.970 -3.016 37 HB3 ARG 5 3HB ARG 5 3.745 3.363 -2.814 38 HG2 ARG 5 2HG ARG 5 5.833 3.037 -3.829 39 HG3 ARG 5 3HG ARG 5 4.735 2.900 -5.149 40 HD2 ARG 5 2HD ARG 5 5.042 5.493 -5.331 41 HD3 ARG 5 3HD ARG 5 6.513 5.230 -4.404 42 HE ARG 5 HE ARG 5 5.856 4.196 -7.135 43 HH11 ARG 5 1HH1 ARG 5 7.544 3.811 -8.509 44 HH12 ARG 5 2HH1 ARG 5 9.181 3.802 -7.928 45 HH21 ARG 5 1HH2 ARG 5 8.360 4.453 -4.653 46 HH22 ARG 5 2HH2 ARG 5 9.636 4.270 -5.819 47 H ILE 6 H ILE 6 1.244 4.011 -2.220 48 HA ILE 6 HA ILE 6 0.362 1.356 -2.693 49 HB ILE 6 HB ILE 6 -0.522 3.562 -0.822 50 HG12 ILE 6 2HG1 ILE 6 -0.786 1.861 0.799 51 HG13 ILE 6 3HG1 ILE 6 -0.656 0.578 -0.416 52 HG21 ILE 6 1HG2 ILE 6 -2.732 2.539 -0.280 53 HG22 ILE 6 2HG2 ILE 6 -2.722 3.295 -1.850 54 HG23 ILE 6 3HG2 ILE 6 -2.592 1.528 -1.757 55 HD11 ILE 6 1HD1 ILE 6 1.592 2.567 -0.091 56 HD12 ILE 6 2HD1 ILE 6 1.388 1.216 1.069 57 HD13 ILE 6 3HD1 ILE 6 1.605 0.868 -0.658 58 H LYS 7 H LYS 7 -1.145 4.538 -3.619 59 HA LYS 7 HA LYS 7 -3.410 3.364 -4.915 60 HB2 LYS 7 2HB LYS 7 -3.393 5.722 -4.460 61 HB3 LYS 7 3HB LYS 7 -1.963 5.998 -5.446 62 HG2 LYS 7 2HG LYS 7 -3.141 5.631 -7.486 63 HG3 LYS 7 3HG LYS 7 -4.499 4.893 -6.648 64 HD2 LYS 7 2HD LYS 7 -5.103 7.123 -7.410 65 HD3 LYS 7 3HD LYS 7 -5.080 7.094 -5.642 66 HE2 LYS 7 2HE LYS 7 -2.834 8.149 -5.642 67 HE3 LYS 7 3HE LYS 7 -2.806 8.115 -7.411 68 HZ1 LYS 7 1HZ LYS 7 -4.759 9.646 -5.770 69 HZ2 LYS 7 2HZ LYS 7 -4.727 9.615 -7.404 70 HZ3 LYS 7 3HZ LYS 7 -3.494 10.290 -6.578 71 H GLN 8 H GLN 8 -0.432 4.387 -6.482 72 HA GLN 8 HA GLN 8 -0.705 3.585 -9.111 73 HB2 GLN 8 2HB GLN 8 1.337 4.738 -8.010 74 HB3 GLN 8 3HB GLN 8 1.711 3.248 -7.206 75 HG2 GLN 8 2HG GLN 8 2.194 2.137 -9.358 76 HG3 GLN 8 3HG GLN 8 1.721 3.630 -10.166 77 HE21 GLN 8 1HE2 GLN 8 3.884 3.531 -11.182 78 HE22 GLN 8 2HE2 GLN 8 5.245 4.161 -10.272 79 H TYR 9 H TYR 9 0.658 1.555 -6.510 80 HA TYR 9 HA TYR 9 0.706 -0.830 -8.180 81 HB2 TYR 9 2HB TYR 9 0.999 -0.289 -5.270 82 HB3 TYR 9 3HB TYR 9 1.413 -1.801 -6.081 83 HD1 TYR 9 HD1 TYR 9 3.151 0.070 -4.315 84 HD2 TYR 9 HD2 TYR 9 2.749 -0.479 -8.592 85 HE1 TYR 9 HE1 TYR 9 5.493 0.612 -4.622 86 HE2 TYR 9 HE2 TYR 9 5.085 0.266 -8.907 87 HH TYR 9 HH TYR 9 7.047 0.806 -7.889 88 H ARG 10 H ARG 10 -1.534 0.260 -5.549 89 HA ARG 10 HA ARG 10 -3.015 -2.084 -5.486 90 HB2 ARG 10 2HB ARG 10 -3.574 -0.500 -3.899 91 HB3 ARG 10 3HB ARG 10 -3.676 0.829 -5.047 92 HG2 ARG 10 2HG ARG 10 -5.851 -0.246 -5.806 93 HG3 ARG 10 3HG ARG 10 -5.578 -1.314 -4.397 94 HD2 ARG 10 2HD ARG 10 -6.924 0.368 -3.573 95 HD3 ARG 10 3HD ARG 10 -5.337 0.744 -2.981 96 HE ARG 10 HE ARG 10 -5.697 2.793 -3.761 97 HH11 ARG 10 1HH1 ARG 10 -6.564 4.462 -4.707 98 HH12 ARG 10 2HH1 ARG 10 -7.513 4.281 -6.168 99 HH21 ARG 10 1HH2 ARG 10 -7.256 0.854 -6.294 100 HH22 ARG 10 2HH2 ARG 10 -7.939 2.286 -6.999 101 H LYS 11 H LYS 11 -3.631 0.804 -7.603 102 HA LYS 11 HA LYS 11 -5.754 -0.417 -9.012 103 HB2 LYS 11 2HB LYS 11 -5.239 1.048 -10.947 104 HB3 LYS 11 3HB LYS 11 -5.590 1.842 -9.398 105 HG2 LYS 11 2HG LYS 11 -3.457 2.715 -9.452 106 HG3 LYS 11 3HG LYS 11 -2.780 1.289 -10.001 107 HD2 LYS 11 2HD LYS 11 -2.398 2.695 -11.758 108 HD3 LYS 11 3HD LYS 11 -3.576 1.564 -12.300 109 HE2 LYS 11 2HE LYS 11 -5.401 3.233 -11.882 110 HE3 LYS 11 3HE LYS 11 -4.213 4.378 -11.256 111 HZ1 LYS 11 1HZ LYS 11 -4.754 4.840 -13.582 112 HZ2 LYS 11 2HZ LYS 11 -4.281 3.351 -14.048 113 HZ3 LYS 11 3HZ LYS 11 -3.183 4.417 -13.472 114 H GLU 12 H GLU 12 -2.229 -0.384 -9.697 115 HA GLU 12 HA GLU 12 -2.487 -1.602 -12.207 116 HB2 GLU 12 2HB GLU 12 -0.795 -0.102 -11.613 117 HB3 GLU 12 3HB GLU 12 -0.151 -1.165 -10.395 118 HG2 GLU 12 2HG GLU 12 -0.270 -1.807 -13.317 119 HG3 GLU 12 3HG GLU 12 1.077 -0.901 -12.602 120 H LYS 13 H LYS 13 -2.194 -2.961 -8.979 121 HA LYS 13 HA LYS 13 -1.874 -5.770 -9.679 122 HB2 LYS 13 2HB LYS 13 -2.743 -4.412 -7.102 123 HB3 LYS 13 3HB LYS 13 -2.547 -6.100 -7.303 124 HG2 LYS 13 2HG LYS 13 -0.183 -4.356 -7.900 125 HG3 LYS 13 3HG LYS 13 -0.621 -4.719 -6.261 126 HD2 LYS 13 2HD LYS 13 1.187 -6.141 -7.344 127 HD3 LYS 13 3HD LYS 13 -0.094 -6.971 -6.432 128 HE2 LYS 13 2HE LYS 13 -1.278 -7.486 -8.553 129 HE3 LYS 13 3HE LYS 13 0.027 -6.713 -9.461 130 HZ1 LYS 13 1HZ LYS 13 0.295 -9.111 -7.714 131 HZ2 LYS 13 2HZ LYS 13 1.545 -8.421 -8.508 132 HZ3 LYS 13 3HZ LYS 13 0.329 -9.122 -9.346 133 H GLY 14 H GLY 14 -4.598 -3.681 -9.682 134 HA2 GLY 14 2HA GLY 14 -6.793 -4.385 -10.428 135 HA3 GLY 14 3HA GLY 14 -6.416 -6.067 -10.052 136 H TYR 15 H TYR 15 -5.646 -3.556 -7.826 137 HA TYR 15 HA TYR 15 -7.684 -4.531 -5.900 138 HB2 TYR 15 2HB TYR 15 -5.082 -3.027 -5.533 139 HB3 TYR 15 3HB TYR 15 -6.050 -3.622 -4.253 140 HD1 TYR 15 HD1 TYR 15 -3.157 -4.036 -4.485 141 HD2 TYR 15 HD2 TYR 15 -6.368 -6.353 -6.182 142 HE1 TYR 15 HE1 TYR 15 -1.754 -6.109 -4.309 143 HE2 TYR 15 HE2 TYR 15 -4.882 -8.368 -6.203 144 HH TYR 15 HH TYR 15 -1.606 -8.325 -4.737 145 H SER 16 H SER 16 -8.149 -3.006 -4.278 146 HA SER 16 HA SER 16 -8.782 -0.252 -4.948 147 HB2 SER 16 2HB SER 16 -11.070 -0.476 -4.151 148 HB3 SER 16 3HB SER 16 -10.887 -1.680 -5.476 149 HG SER 16 HG SER 16 -11.751 -2.875 -3.887 150 H LEU 17 H LEU 17 -9.860 0.609 -2.760 151 HA LEU 17 HA LEU 17 -7.639 0.408 -0.979 152 HB2 LEU 17 2HB LEU 17 -10.317 1.762 -0.414 153 HB3 LEU 17 3HB LEU 17 -8.842 1.925 0.393 154 HG LEU 17 HG LEU 17 -7.872 2.569 -2.046 155 HD11 LEU 17 1HD1 LEU 17 -10.834 3.205 -2.070 156 HD12 LEU 17 2HD1 LEU 17 -9.976 2.141 -3.206 157 HD13 LEU 17 3HD1 LEU 17 -9.636 3.871 -3.230 158 HD21 LEU 17 1HD2 LEU 17 -8.556 4.965 -1.482 159 HD22 LEU 17 2HD2 LEU 17 -7.692 4.028 -0.262 160 HD23 LEU 17 3HD2 LEU 17 -9.461 4.261 -0.098 161 H SER 18 H SER 18 -10.650 -1.206 -1.186 162 HA SER 18 HA SER 18 -10.531 -2.400 1.550 163 HB2 SER 18 2HB SER 18 -12.652 -1.664 1.021 164 HB3 SER 18 3HB SER 18 -12.538 -2.168 -0.655 165 HG SER 18 HG SER 18 -12.969 -4.265 -0.045 166 H GLU 19 H GLU 19 -10.423 -3.486 -1.903 167 HA GLU 19 HA GLU 19 -9.821 -6.261 -1.479 168 HB2 GLU 19 3HB GLU 19 -9.052 -4.264 -3.583 169 HB3 GLU 19 2HB GLU 19 -8.354 -5.805 -3.653 170 HG2 GLU 19 2HG GLU 19 -10.420 -5.247 -5.039 171 HG3 GLU 19 3HG GLU 19 -10.297 -6.845 -4.285 172 H LEU 20 H LEU 20 -7.617 -3.461 -1.929 173 HA LEU 20 HA LEU 20 -5.281 -4.943 -1.656 174 HB2 LEU 20 2HB LEU 20 -5.707 -2.554 -2.564 175 HB3 LEU 20 3HB LEU 20 -5.667 -1.964 -0.980 176 HG LEU 20 HG LEU 20 -3.745 -2.512 -3.068 177 HD11 LEU 20 1HD1 LEU 20 -3.225 -1.424 -0.333 178 HD12 LEU 20 2HD1 LEU 20 -3.991 -0.507 -1.676 179 HD13 LEU 20 3HD1 LEU 20 -2.308 -1.099 -1.829 180 HD21 LEU 20 1HD2 LEU 20 -1.952 -3.571 -1.932 181 HD22 LEU 20 2HD2 LEU 20 -3.351 -4.622 -2.066 182 HD23 LEU 20 3HD2 LEU 20 -2.980 -3.843 -0.498 183 H ALA 21 H ALA 21 -7.147 -3.062 0.786 184 HA ALA 21 HA ALA 21 -5.516 -3.670 2.958 185 HB1 ALA 21 1HB ALA 21 -7.363 -2.073 3.011 186 HB2 ALA 21 2HB ALA 21 -8.538 -3.403 3.001 187 HB3 ALA 21 3HB ALA 21 -7.417 -3.217 4.371 188 H GLU 22 H GLU 22 -8.166 -5.729 1.739 189 HA GLU 22 HA GLU 22 -7.881 -7.651 3.928 190 HB2 GLU 22 2HB GLU 22 -9.267 -9.157 2.699 191 HB3 GLU 22 3HB GLU 22 -10.011 -7.544 2.717 192 HG2 GLU 22 2HG GLU 22 -9.768 -7.246 0.452 193 HG3 GLU 22 3HG GLU 22 -8.419 -8.364 0.424 194 H LYS 23 H LYS 23 -6.355 -7.257 0.802 195 HA LYS 23 HA LYS 23 -5.117 -9.917 0.720 196 HB2 LYS 23 2HB LYS 23 -4.630 -7.321 -0.795 197 HB3 LYS 23 3HB LYS 23 -3.828 -8.862 -1.177 198 HG2 LYS 23 2HG LYS 23 -5.939 -9.914 -1.712 199 HG3 LYS 23 3HG LYS 23 -6.826 -8.555 -1.140 200 HD2 LYS 23 2HD LYS 23 -5.586 -7.134 -3.037 201 HD3 LYS 23 3HD LYS 23 -5.282 -8.711 -3.736 202 HE2 LYS 23 2HE LYS 23 -8.037 -7.771 -2.880 203 HE3 LYS 23 3HE LYS 23 -7.418 -7.685 -4.529 204 HZ1 LYS 23 1HZ LYS 23 -8.755 -9.665 -4.250 205 HZ2 LYS 23 2HZ LYS 23 -7.886 -10.172 -2.973 206 HZ3 LYS 23 3HZ LYS 23 -7.210 -10.145 -4.467 207 H ALA 24 H ALA 24 -3.886 -6.598 1.208 208 HA ALA 24 HA ALA 24 -1.315 -6.975 2.020 209 HB1 ALA 24 1HB ALA 24 -3.534 -5.081 2.862 210 HB2 ALA 24 2HB ALA 24 -1.822 -4.783 3.322 211 HB3 ALA 24 3HB ALA 24 -2.328 -4.844 1.598 212 H GLY 25 H GLY 25 -4.299 -7.194 3.993 213 HA2 GLY 25 2HA GLY 25 -4.530 -8.232 6.129 214 HA3 GLY 25 3HA GLY 25 -2.778 -8.246 6.329 215 H VAL 26 H VAL 26 -4.876 -5.535 5.472 216 HA VAL 26 HA VAL 26 -3.953 -4.002 7.892 217 HB VAL 26 HB VAL 26 -3.449 -2.134 6.646 218 HG11 VAL 26 1HG1 VAL 26 -2.053 -4.667 5.735 219 HG12 VAL 26 2HG1 VAL 26 -1.401 -3.014 5.559 220 HG13 VAL 26 3HG1 VAL 26 -1.825 -3.682 7.207 221 HG21 VAL 26 1HG2 VAL 26 -3.281 -2.209 4.260 222 HG22 VAL 26 2HG2 VAL 26 -4.021 -3.851 4.338 223 HG23 VAL 26 3HG2 VAL 26 -4.959 -2.388 4.846 224 H ALA 27 H ALA 27 -5.190 -1.837 7.618 225 HA ALA 27 HA ALA 27 -8.123 -2.471 7.705 226 HB1 ALA 27 1HB ALA 27 -8.265 -0.298 8.849 227 HB2 ALA 27 2HB ALA 27 -7.006 -1.328 9.587 228 HB3 ALA 27 3HB ALA 27 -6.535 -0.001 8.517 229 H LYS 28 H LYS 28 -9.599 -1.612 6.030 230 HA LYS 28 HA LYS 28 -8.462 -0.407 3.659 231 HB2 LYS 28 2HB LYS 28 -10.809 -1.238 3.605 232 HB3 LYS 28 3HB LYS 28 -11.289 0.041 4.751 233 HG2 LYS 28 2HG LYS 28 -9.918 0.942 2.235 234 HG3 LYS 28 3HG LYS 28 -11.514 0.355 2.109 235 HD2 LYS 28 2HD LYS 28 -12.080 2.038 4.071 236 HD3 LYS 28 3HD LYS 28 -10.628 2.765 3.381 237 HE2 LYS 28 2HE LYS 28 -12.391 3.844 2.291 238 HE3 LYS 28 3HE LYS 28 -11.708 2.720 1.115 239 HZ1 LYS 28 1HZ LYS 28 -14.168 2.251 2.732 240 HZ2 LYS 28 2HZ LYS 28 -13.567 1.191 1.643 241 HZ3 LYS 28 3HZ LYS 28 -14.143 2.635 1.151 242 H SER 29 H SER 29 -9.748 0.984 6.633 243 HA SER 29 HA SER 29 -9.672 3.621 5.829 244 HB2 SER 29 2HB SER 29 -10.758 2.856 7.902 245 HB3 SER 29 3HB SER 29 -9.177 2.476 8.600 246 HG SER 29 HG SER 29 -10.246 5.038 7.967 247 H TYR 30 H TYR 30 -6.979 1.505 6.647 248 HA TYR 30 HA TYR 30 -4.933 3.576 6.783 249 HB2 TYR 30 2HB TYR 30 -4.845 0.578 6.585 250 HB3 TYR 30 3HB TYR 30 -3.799 1.334 5.489 251 HD1 TYR 30 HD1 TYR 30 -2.250 3.130 6.115 252 HD2 TYR 30 HD2 TYR 30 -4.013 0.453 8.986 253 HE1 TYR 30 HE1 TYR 30 -0.368 3.533 7.541 254 HE2 TYR 30 HE2 TYR 30 -2.110 0.923 10.545 255 HH TYR 30 HH TYR 30 0.420 3.312 9.772 256 H LEU 31 H LEU 31 -5.965 1.400 4.063 257 HA LEU 31 HA LEU 31 -4.196 2.767 2.392 258 HB2 LEU 31 3HB LEU 31 -6.645 1.124 1.663 259 HB3 LEU 31 2HB LEU 31 -5.482 1.728 0.471 260 HG LEU 31 HG LEU 31 -5.000 -0.543 0.870 261 HD11 LEU 31 1HD1 LEU 31 -2.967 1.042 2.487 262 HD12 LEU 31 2HD1 LEU 31 -2.848 0.576 0.776 263 HD13 LEU 31 3HD1 LEU 31 -2.759 -0.655 2.062 264 HD21 LEU 31 1HD2 LEU 31 -4.508 -0.185 3.809 265 HD22 LEU 31 2HD2 LEU 31 -4.887 -1.624 2.809 266 HD23 LEU 31 3HD2 LEU 31 -6.155 -0.463 3.182 267 H SER 32 H SER 32 -7.715 3.396 2.921 268 HA SER 32 HA SER 32 -7.873 5.590 1.071 269 HB2 SER 32 2HB SER 32 -9.781 6.375 2.268 270 HB3 SER 32 3HB SER 32 -9.870 4.621 2.055 271 HG SER 32 HG SER 32 -10.400 5.533 4.209 272 H SER 33 H SER 33 -6.849 5.621 4.570 273 HA SER 33 HA SER 33 -6.413 8.473 4.452 274 HB2 SER 33 2HB SER 33 -6.984 7.254 6.502 275 HB3 SER 33 3HB SER 33 -5.432 6.417 6.432 276 HG SER 33 HG SER 33 -5.983 9.174 6.895 277 H ILE 34 H ILE 34 -4.033 5.717 4.005 278 HA ILE 34 HA ILE 34 -1.722 7.142 3.570 279 HB ILE 34 HB ILE 34 -2.897 4.752 2.047 280 HG12 ILE 34 2HG1 ILE 34 -2.394 4.275 4.407 281 HG13 ILE 34 3HG1 ILE 34 -1.436 3.312 3.356 282 HG21 ILE 34 1HG2 ILE 34 -0.458 4.378 1.275 283 HG22 ILE 34 2HG2 ILE 34 -1.391 5.624 0.482 284 HG23 ILE 34 3HG2 ILE 34 -0.230 6.107 1.742 285 HD11 ILE 34 1HD1 ILE 34 -0.378 5.834 4.569 286 HD12 ILE 34 2HD1 ILE 34 -0.171 4.217 5.266 287 HD13 ILE 34 3HD1 ILE 34 0.532 4.606 3.680 288 H GLU 35 H GLU 35 -4.193 6.375 1.127 289 HA GLU 35 HA GLU 35 -3.094 8.052 -0.904 290 HB2 GLU 35 2HB GLU 35 -5.903 6.936 -0.568 291 HB3 GLU 35 3HB GLU 35 -5.306 7.760 -2.023 292 HG2 GLU 35 2HG GLU 35 -3.489 6.113 -2.241 293 HG3 GLU 35 3HG GLU 35 -4.029 5.257 -0.815 294 H ARG 36 H ARG 36 -5.325 8.943 1.720 295 HA ARG 36 HA ARG 36 -5.636 11.698 0.787 296 HB2 ARG 36 2HB ARG 36 -5.914 10.492 3.571 297 HB3 ARG 36 3HB ARG 36 -6.276 12.164 3.170 298 HG2 ARG 36 2HG ARG 36 -7.679 9.912 1.708 299 HG3 ARG 36 3HG ARG 36 -8.235 10.479 3.290 300 HD2 ARG 36 2HD ARG 36 -8.546 12.740 2.443 301 HD3 ARG 36 3HD ARG 36 -7.739 12.312 0.943 302 HE ARG 36 HE ARG 36 -9.673 11.300 0.138 303 HH11 ARG 36 1HH1 ARG 36 -10.234 12.018 3.527 304 HH12 ARG 36 2HH1 ARG 36 -11.934 11.657 3.408 305 HH21 ARG 36 1HH2 ARG 36 -12.813 11.024 1.499 306 HH22 ARG 36 2HH2 ARG 36 -11.842 10.865 0.065 307 H ASN 37 H ASN 37 -3.579 10.437 3.433 308 HA ASN 37 HA ASN 37 -1.395 12.295 2.846 309 HB2 ASN 37 2HB ASN 37 -3.196 13.729 3.922 310 HB3 ASN 37 3HB ASN 37 -3.076 12.721 5.361 311 HD21 ASN 37 1HD2 ASN 37 -1.940 13.846 6.917 312 HD22 ASN 37 2HD2 ASN 37 -0.533 14.842 6.576 313 H LEU 38 H LEU 38 -2.569 9.599 4.790 314 HA LEU 38 HA LEU 38 -1.146 9.674 7.102 315 HB2 LEU 38 2HB LEU 38 -2.923 8.033 6.200 316 HB3 LEU 38 3HB LEU 38 -1.627 7.111 5.570 317 HG LEU 38 HG LEU 38 -2.089 7.599 8.482 318 HD11 LEU 38 1HD1 LEU 38 -2.671 5.132 8.438 319 HD12 LEU 38 2HD1 LEU 38 -2.731 5.289 6.670 320 HD13 LEU 38 3HD1 LEU 38 -3.817 6.241 7.713 321 HD21 LEU 38 1HD2 LEU 38 0.236 7.087 8.353 322 HD22 LEU 38 2HD2 LEU 38 -0.040 5.853 7.093 323 HD23 LEU 38 3HD2 LEU 38 -0.555 5.596 8.775 324 H GLN 39 H GLN 39 0.113 8.433 4.040 325 HA GLN 39 HA GLN 39 2.470 7.380 5.205 326 HB2 GLN 39 2HB GLN 39 1.188 6.977 2.943 327 HB3 GLN 39 3HB GLN 39 2.279 8.143 2.256 328 HG2 GLN 39 2HG GLN 39 3.041 5.560 3.722 329 HG3 GLN 39 3HG GLN 39 2.896 5.699 1.975 330 HE21 GLN 39 1HE2 GLN 39 5.143 5.620 4.368 331 HE22 GLN 39 2HE2 GLN 39 6.374 6.631 3.634 332 H THR 40 H THR 40 1.799 10.559 5.111 333 HA THR 40 HA THR 40 4.342 11.823 5.115 334 HB THR 40 HB THR 40 2.182 12.941 5.503 335 HG1 THR 40 HG1 THR 40 3.983 13.996 6.284 336 HG21 THR 40 1HG2 THR 40 1.118 11.195 6.949 337 HG22 THR 40 2HG2 THR 40 1.022 12.818 7.638 338 HG23 THR 40 3HG2 THR 40 2.200 11.645 8.271 339 H ASN 41 H ASN 41 3.058 9.334 7.309 340 HA ASN 41 HA ASN 41 5.722 9.222 8.642 341 HB2 ASN 41 2HB ASN 41 4.055 10.229 10.151 342 HB3 ASN 41 3HB ASN 41 3.018 8.812 9.961 343 HD21 ASN 41 1HD2 ASN 41 6.034 10.025 11.376 344 HD22 ASN 41 2HD2 ASN 41 6.292 8.622 12.402 345 HA PRO 42 HA PRO 42 5.206 5.055 6.968 346 HB2 PRO 42 2HB PRO 42 7.733 4.108 7.291 347 HB3 PRO 42 3HB PRO 42 7.319 5.370 6.094 348 HG2 PRO 42 2HG PRO 42 8.517 5.739 8.854 349 HG3 PRO 42 3HG PRO 42 9.032 6.481 7.309 350 HD2 PRO 42 2HD PRO 42 7.389 7.748 9.118 351 HD3 PRO 42 3HD PRO 42 7.280 8.026 7.355 352 H SER 43 H SER 43 3.999 3.626 8.091 353 HA SER 43 HA SER 43 4.969 2.394 10.648 354 HB2 SER 43 2HB SER 43 2.611 2.821 10.573 355 HB3 SER 43 3HB SER 43 2.461 1.950 9.036 356 HG SER 43 HG SER 43 1.969 0.715 10.996 357 H ILE 44 H ILE 44 6.824 1.356 10.121 358 HA ILE 44 HA ILE 44 7.364 0.136 7.649 359 HB ILE 44 HB ILE 44 8.507 -0.697 10.329 360 HG12 ILE 44 2HG1 ILE 44 8.891 1.691 10.016 361 HG13 ILE 44 3HG1 ILE 44 10.383 0.786 9.846 362 HG21 ILE 44 1HG2 ILE 44 10.480 -1.414 8.916 363 HG22 ILE 44 2HG2 ILE 44 9.031 -2.390 8.691 364 HG23 ILE 44 3HG2 ILE 44 9.467 -1.179 7.473 365 HD11 ILE 44 1HD1 ILE 44 10.283 1.026 7.377 366 HD12 ILE 44 2HD1 ILE 44 8.772 1.951 7.542 367 HD13 ILE 44 3HD1 ILE 44 10.277 2.589 8.209 368 H GLN 45 H GLN 45 5.775 -1.361 10.507 369 HA GLN 45 HA GLN 45 5.757 -3.979 9.478 370 HB2 GLN 45 2HB GLN 45 5.287 -3.461 11.812 371 HB3 GLN 45 3HB GLN 45 3.759 -2.696 11.362 372 HG2 GLN 45 2HG GLN 45 3.409 -4.976 12.230 373 HG3 GLN 45 3HG GLN 45 2.875 -4.861 10.559 374 HE21 GLN 45 1HE2 GLN 45 4.272 -5.863 8.867 375 HE22 GLN 45 2HE2 GLN 45 5.541 -6.989 9.318 376 H PHE 46 H PHE 46 3.328 -1.429 9.133 377 HA PHE 46 HA PHE 46 1.311 -2.905 7.526 378 HB2 PHE 46 2HB PHE 46 0.519 -0.925 8.619 379 HB3 PHE 46 3HB PHE 46 1.956 -0.010 8.199 380 HD1 PHE 46 HD1 PHE 46 -1.320 -1.084 7.005 381 HD2 PHE 46 HD2 PHE 46 2.333 0.930 5.950 382 HE1 PHE 46 HE1 PHE 46 -2.331 -0.408 4.856 383 HE2 PHE 46 HE2 PHE 46 1.385 1.540 3.734 384 HZ PHE 46 HZ PHE 46 -0.987 1.003 3.251 385 H LEU 47 H LEU 47 4.163 -0.971 6.873 386 HA LEU 47 HA LEU 47 3.739 -0.939 3.990 387 HB2 LEU 47 2HB LEU 47 6.201 -0.519 5.756 388 HB3 LEU 47 3HB LEU 47 6.318 -0.461 4.017 389 HG LEU 47 HG LEU 47 4.526 1.457 5.584 390 HD11 LEU 47 1HD1 LEU 47 6.793 1.716 6.457 391 HD12 LEU 47 2HD1 LEU 47 6.398 3.081 5.412 392 HD13 LEU 47 3HD1 LEU 47 7.456 1.795 4.803 393 HD21 LEU 47 1HD2 LEU 47 5.023 2.929 3.594 394 HD22 LEU 47 2HD2 LEU 47 4.123 1.459 3.203 395 HD23 LEU 47 3HD2 LEU 47 5.886 1.557 2.876 396 H GLU 48 H GLU 48 5.608 -3.133 6.172 397 HA GLU 48 HA GLU 48 6.505 -4.890 4.185 398 HB2 GLU 48 2HB GLU 48 5.350 -6.146 6.668 399 HB3 GLU 48 3HB GLU 48 6.718 -6.621 5.680 400 HG2 GLU 48 2HG GLU 48 7.860 -4.466 6.630 401 HG3 GLU 48 3HG GLU 48 6.527 -4.492 7.766 402 H LYS 49 H LYS 49 3.405 -4.957 5.966 403 HA LYS 49 HA LYS 49 2.115 -7.152 4.814 404 HB2 LYS 49 2HB LYS 49 0.920 -4.469 5.667 405 HB3 LYS 49 3HB LYS 49 0.004 -5.833 5.482 406 HG2 LYS 49 2HG LYS 49 2.110 -6.619 7.270 407 HG3 LYS 49 3HG LYS 49 1.690 -4.949 7.652 408 HD2 LYS 49 2HD LYS 49 0.373 -6.276 9.093 409 HD3 LYS 49 3HD LYS 49 -0.706 -5.624 7.864 410 HE2 LYS 49 2HE LYS 49 -1.305 -7.915 8.269 411 HE3 LYS 49 3HE LYS 49 -0.625 -7.806 6.647 412 HZ1 LYS 49 1HZ LYS 49 0.241 -9.720 7.882 413 HZ2 LYS 49 2HZ LYS 49 0.834 -8.765 9.061 414 HZ3 LYS 49 3HZ LYS 49 1.469 -8.703 7.552 415 H VAL 50 H VAL 50 1.568 -3.832 3.691 416 HA VAL 50 HA VAL 50 0.157 -4.894 1.256 417 HB VAL 50 HB VAL 50 -1.036 -3.155 2.135 418 HG11 VAL 50 1HG1 VAL 50 1.601 -1.918 2.614 419 HG12 VAL 50 2HG1 VAL 50 0.115 -0.912 2.455 420 HG13 VAL 50 3HG1 VAL 50 0.159 -2.229 3.660 421 HG21 VAL 50 1HG2 VAL 50 -1.162 -1.506 0.491 422 HG22 VAL 50 2HG2 VAL 50 0.522 -1.714 0.032 423 HG23 VAL 50 3HG2 VAL 50 -0.660 -3.027 -0.302 424 H SER 51 H SER 51 3.335 -3.311 1.856 425 HA SER 51 HA SER 51 3.964 -3.019 -0.985 426 HB2 SER 51 2HB SER 51 6.237 -2.937 -0.433 427 HB3 SER 51 3HB SER 51 5.436 -2.115 0.884 428 HG SER 51 HG SER 51 5.747 -3.817 2.161 429 H ALA 52 H ALA 52 4.257 -5.677 1.323 430 HA ALA 52 HA ALA 52 5.464 -7.612 -0.441 431 HB1 ALA 52 1HB ALA 52 5.355 -8.045 1.940 432 HB2 ALA 52 2HB ALA 52 3.583 -7.944 1.937 433 HB3 ALA 52 3HB ALA 52 4.404 -9.302 1.126 434 H VAL 53 H VAL 53 2.036 -6.883 0.275 435 HA VAL 53 HA VAL 53 1.034 -8.667 -1.743 436 HB VAL 53 HB VAL 53 0.045 -7.219 0.393 437 HG11 VAL 53 1HG1 VAL 53 -0.591 -5.225 -0.902 438 HG12 VAL 53 2HG1 VAL 53 -1.565 -6.263 -2.000 439 HG13 VAL 53 3HG1 VAL 53 -1.982 -6.102 -0.300 440 HG21 VAL 53 1HG2 VAL 53 -1.654 -8.608 -1.644 441 HG22 VAL 53 2HG2 VAL 53 -0.528 -9.484 -0.545 442 HG23 VAL 53 3HG2 VAL 53 -1.754 -8.464 0.165 443 H LEU 54 H LEU 54 1.969 -5.299 -2.026 444 HA LEU 54 HA LEU 54 0.914 -4.998 -4.709 445 HB2 LEU 54 2HB LEU 54 2.724 -3.238 -2.966 446 HB3 LEU 54 3HB LEU 54 2.226 -2.812 -4.544 447 HG LEU 54 HG LEU 54 0.364 -3.395 -2.263 448 HD11 LEU 54 1HD1 LEU 54 -0.015 -0.923 -2.265 449 HD12 LEU 54 2HD1 LEU 54 1.379 -0.779 -3.365 450 HD13 LEU 54 3HD1 LEU 54 1.615 -1.464 -1.800 451 HD21 LEU 54 1HD2 LEU 54 -0.276 -2.638 -5.141 452 HD22 LEU 54 2HD2 LEU 54 -1.414 -2.149 -3.889 453 HD23 LEU 54 3HD2 LEU 54 -1.049 -3.839 -4.150 454 H ASP 55 H ASP 55 3.421 -6.878 -3.862 455 HA ASP 55 HA ASP 55 5.207 -7.757 -4.929 456 HB2 ASP 55 2HB ASP 55 4.133 -6.326 -7.363 457 HB3 ASP 55 3HB ASP 55 5.599 -7.217 -7.407 458 H VAL 56 H VAL 56 5.412 -5.528 -3.365 459 HA VAL 56 HA VAL 56 7.615 -3.838 -4.469 460 HB VAL 56 HB VAL 56 4.780 -3.466 -3.632 461 HG11 VAL 56 1HG1 VAL 56 5.833 -1.849 -2.111 462 HG12 VAL 56 2HG1 VAL 56 6.518 -1.055 -3.544 463 HG13 VAL 56 3HG1 VAL 56 4.737 -1.259 -3.336 464 HG21 VAL 56 1HG2 VAL 56 4.696 -2.255 -5.646 465 HG22 VAL 56 2HG2 VAL 56 6.493 -2.155 -5.730 466 HG23 VAL 56 3HG2 VAL 56 5.627 -3.703 -5.973 467 H SER 57 H SER 57 8.555 -2.326 -2.649 468 HA SER 57 HA SER 57 9.214 -4.246 -0.493 469 HB2 SER 57 2HB SER 57 11.180 -2.647 -2.141 470 HB3 SER 57 3HB SER 57 11.545 -3.969 -1.024 471 HG SER 57 HG SER 57 11.548 -4.664 -3.208 472 H VAL 58 H VAL 58 7.692 -2.288 0.493 473 HA VAL 58 HA VAL 58 7.500 -1.010 2.309 474 HB VAL 58 HB VAL 58 10.233 -2.161 3.069 475 HG11 VAL 58 1HG1 VAL 58 9.429 -0.208 4.594 476 HG12 VAL 58 2HG1 VAL 58 8.140 -1.346 5.084 477 HG13 VAL 58 3HG1 VAL 58 9.813 -1.760 5.347 478 HG21 VAL 58 1HG2 VAL 58 8.878 -3.794 4.375 479 HG22 VAL 58 2HG2 VAL 58 7.419 -3.029 3.718 480 HG23 VAL 58 3HG2 VAL 58 8.541 -3.913 2.641 481 H HIS 59 H HIS 59 10.942 -0.475 1.385 482 HA HIS 59 HA HIS 59 10.913 2.388 1.962 483 HB2 HIS 59 2HB HIS 59 12.635 2.283 -0.097 484 HB3 HIS 59 3HB HIS 59 13.028 1.926 1.534 485 HD1 HIS 59 HD1 HIS 59 14.477 -0.116 1.811 486 HD2 HIS 59 HD2 HIS 59 12.064 -0.185 -1.639 487 HE1 HIS 59 HE1 HIS 59 15.105 -2.247 0.528 488 H THR 60 H THR 60 10.210 0.385 -0.831 489 HA THR 60 HA THR 60 10.117 2.248 -2.890 490 HB THR 60 HB THR 60 8.088 0.034 -2.431 491 HG1 THR 60 HG1 THR 60 10.522 -0.280 -3.788 492 HG21 THR 60 1HG2 THR 60 7.525 1.359 -4.269 493 HG22 THR 60 2HG2 THR 60 8.263 -0.114 -4.946 494 HG23 THR 60 3HG2 THR 60 9.214 1.431 -4.828 495 H LEU 61 H LEU 61 7.449 1.539 -0.636 496 HA LEU 61 HA LEU 61 5.519 3.284 -1.811 497 HB2 LEU 61 2HB LEU 61 5.884 2.311 0.979 498 HB3 LEU 61 3HB LEU 61 4.365 2.856 0.308 499 HG LEU 61 HG LEU 61 5.905 0.316 -0.600 500 HD11 LEU 61 1HD1 LEU 61 3.846 -0.757 0.409 501 HD12 LEU 61 2HD1 LEU 61 3.546 0.776 1.252 502 HD13 LEU 61 3HD1 LEU 61 5.109 -0.077 1.472 503 HD21 LEU 61 1HD2 LEU 61 3.374 1.711 -1.555 504 HD22 LEU 61 2HD2 LEU 61 3.682 -0.016 -1.843 505 HD23 LEU 61 3HD2 LEU 61 4.767 1.236 -2.502 506 H LEU 62 H LEU 62 7.926 3.882 0.784 507 HA LEU 62 HA LEU 62 7.006 6.662 1.089 508 HB2 LEU 62 2HB LEU 62 8.248 6.730 3.041 509 HB3 LEU 62 3HB LEU 62 7.694 5.082 2.960 510 HG LEU 62 HG LEU 62 10.160 4.842 1.739 511 HD11 LEU 62 1HD1 LEU 62 10.889 7.102 2.115 512 HD12 LEU 62 2HD1 LEU 62 11.809 5.984 3.112 513 HD13 LEU 62 3HD1 LEU 62 10.520 6.957 3.862 514 HD21 LEU 62 1HD2 LEU 62 9.480 4.609 4.665 515 HD22 LEU 62 2HD2 LEU 62 10.856 3.835 3.837 516 HD23 LEU 62 3HD2 LEU 62 9.190 3.414 3.363 517 H ASP 63 H ASP 63 9.431 4.973 -0.623 518 HA ASP 63 HA ASP 63 11.273 7.259 -0.800 519 HB2 ASP 63 2HB ASP 63 12.062 5.362 0.374 520 HB3 ASP 63 3HB ASP 63 11.692 4.282 -1.016 521 H GLU 64 H GLU 64 12.781 7.105 -2.519 522 HA GLU 64 HA GLU 64 11.461 7.369 -5.196 523 HB2 GLU 64 2HB GLU 64 12.883 9.444 -5.314 524 HB3 GLU 64 3HB GLU 64 11.664 9.451 -4.037 525 HG2 GLU 64 2HG GLU 64 13.361 8.903 -2.328 526 HG3 GLU 64 3HG GLU 64 14.595 8.733 -3.588 527 H LYS 65 H LYS 65 13.700 5.515 -3.802 528 HA LYS 65 HA LYS 65 15.469 5.118 -6.171 529 HB2 LYS 65 2HB LYS 65 17.478 5.189 -4.674 530 HB3 LYS 65 3HB LYS 65 16.633 6.745 -4.753 531 HG2 LYS 65 2HG LYS 65 15.405 6.119 -2.721 532 HG3 LYS 65 3HG LYS 65 16.407 4.677 -2.524 533 HD2 LYS 65 2HD LYS 65 17.308 7.575 -2.350 534 HD3 LYS 65 3HD LYS 65 16.684 6.579 -1.007 535 HE2 LYS 65 2HE LYS 65 18.535 4.903 -1.526 536 HE3 LYS 65 3HE LYS 65 19.190 6.044 -2.709 537 HZ1 LYS 65 1HZ LYS 65 20.306 6.274 -0.573 538 HZ2 LYS 65 2HZ LYS 65 18.898 6.519 0.220 539 HZ3 LYS 65 3HZ LYS 65 19.451 7.641 -0.845 540 H HIS 66 H HIS 66 14.043 3.804 -3.216 541 HA HIS 66 HA HIS 66 13.539 1.835 -2.514 542 HB2 HIS 66 2HB HIS 66 12.819 0.078 -4.039 543 HB3 HIS 66 3HB HIS 66 12.217 1.660 -4.468 544 HD1 HIS 66 HD1 HIS 66 12.378 2.211 -6.979 545 HD2 HIS 66 HD2 HIS 66 15.212 -0.616 -5.678 546 HE1 HIS 66 HE1 HIS 66 13.624 1.435 -9.060 547 H GLU 67 H GLU 67 16.203 2.523 -2.263 548 HA GLU 67 HA GLU 67 17.411 -0.098 -1.688 549 HB2 GLU 67 2HB GLU 67 18.705 2.002 -3.479 550 HB3 GLU 67 3HB GLU 67 19.625 0.759 -2.651 551 HG2 GLU 67 2HG GLU 67 17.504 0.267 -4.771 552 HG3 GLU 67 3HG GLU 67 19.242 0.215 -4.996 553 H THR 68 H THR 68 18.798 -0.036 0.033 554 HA THR 68 HA THR 68 19.687 0.553 1.971 555 HB THR 68 HB THR 68 20.219 3.231 0.658 556 HG1 THR 68 HG1 THR 68 21.058 1.439 -0.439 557 HG21 THR 68 1HG2 THR 68 21.562 1.942 3.068 558 HG22 THR 68 2HG2 THR 68 20.699 3.500 3.020 559 HG23 THR 68 3HG2 THR 68 22.223 3.314 2.149 560 H GLU 69 H GLU 69 17.153 2.566 1.089 561 HA GLU 69 HA GLU 69 16.577 3.688 3.739 562 HB2 GLU 69 2HB GLU 69 14.725 3.501 1.327 563 HB3 GLU 69 3HB GLU 69 14.480 4.486 2.758 564 HG2 GLU 69 2HG GLU 69 16.479 4.834 0.535 565 HG3 GLU 69 3HG GLU 69 15.245 5.952 1.099 Start of MODEL 8 1 H1 MET 1 1H MET 1 9.085 9.918 -0.525 2 H2 MET 1 2H MET 1 9.655 10.951 0.601 3 H3 MET 1 3H MET 1 9.027 11.539 -0.791 4 HA MET 1 HA MET 1 7.502 10.005 1.221 5 HB2 MET 1 2HB MET 1 8.252 12.183 2.119 6 HB3 MET 1 3HB MET 1 7.513 13.013 0.748 7 HG2 MET 1 2HG MET 1 5.273 12.092 1.483 8 HG3 MET 1 3HG MET 1 6.088 11.357 2.864 9 HE1 MET 1 1HE MET 1 5.284 15.882 2.235 10 HE2 MET 1 2HE MET 1 6.385 15.009 1.152 11 HE3 MET 1 3HE MET 1 4.663 14.566 1.216 12 H ILE 2 H ILE 2 6.498 8.696 -0.381 13 HA ILE 2 HA ILE 2 5.089 10.122 -2.585 14 HB ILE 2 HB ILE 2 5.859 7.226 -2.517 15 HG12 ILE 2 2HG1 ILE 2 7.912 8.477 -2.493 16 HG13 ILE 2 3HG1 ILE 2 7.636 7.694 -4.036 17 HG21 ILE 2 1HG2 ILE 2 5.485 7.498 -5.011 18 HG22 ILE 2 2HG2 ILE 2 4.022 7.571 -4.019 19 HG23 ILE 2 3HG2 ILE 2 4.747 9.061 -4.660 20 HD11 ILE 2 1HD1 ILE 2 6.916 9.807 -5.035 21 HD12 ILE 2 2HD1 ILE 2 7.121 10.630 -3.472 22 HD13 ILE 2 3HD1 ILE 2 8.531 9.961 -4.319 23 H GLY 3 H GLY 3 4.230 7.053 -0.860 24 HA2 GLY 3 2HA GLY 3 2.218 6.363 0.063 25 HA3 GLY 3 3HA GLY 3 1.566 7.994 -0.064 26 H GLN 4 H GLN 4 1.530 8.579 -2.727 27 HA GLN 4 HA GLN 4 -0.602 7.073 -3.819 28 HB2 GLN 4 2HB GLN 4 -0.247 8.355 -5.768 29 HB3 GLN 4 3HB GLN 4 0.002 9.419 -4.395 30 HG2 GLN 4 2HG GLN 4 2.408 9.368 -4.717 31 HG3 GLN 4 3HG GLN 4 2.289 8.084 -5.933 32 HE21 GLN 4 1HE2 GLN 4 3.687 9.886 -7.048 33 HE22 GLN 4 2HE2 GLN 4 2.758 11.032 -8.004 34 H ARG 5 H ARG 5 2.558 6.038 -3.394 35 HA ARG 5 HA ARG 5 2.860 4.198 -5.603 36 HB2 ARG 5 2HB ARG 5 4.241 4.834 -3.112 37 HB3 ARG 5 3HB ARG 5 3.729 3.209 -2.952 38 HG2 ARG 5 2HG ARG 5 5.842 2.943 -3.922 39 HG3 ARG 5 3HG ARG 5 4.757 2.793 -5.256 40 HD2 ARG 5 2HD ARG 5 5.005 5.378 -5.426 41 HD3 ARG 5 3HD ARG 5 6.477 5.161 -4.488 42 HE ARG 5 HE ARG 5 5.880 4.132 -7.233 43 HH11 ARG 5 1HH1 ARG 5 8.328 4.388 -4.696 44 HH12 ARG 5 2HH1 ARG 5 9.628 4.151 -5.828 45 HH21 ARG 5 1HH2 ARG 5 7.595 3.708 -8.562 46 HH22 ARG 5 2HH2 ARG 5 9.217 3.674 -7.942 47 H ILE 6 H ILE 6 1.278 3.906 -2.298 48 HA ILE 6 HA ILE 6 0.318 1.268 -2.762 49 HB ILE 6 HB ILE 6 -0.491 3.502 -0.888 50 HG12 ILE 6 2HG1 ILE 6 -0.774 1.811 0.743 51 HG13 ILE 6 3HG1 ILE 6 -0.679 0.523 -0.469 52 HG21 ILE 6 1HG2 ILE 6 -2.598 1.494 -1.803 53 HG22 ILE 6 2HG2 ILE 6 -2.715 2.503 -0.325 54 HG23 ILE 6 3HG2 ILE 6 -2.707 3.261 -1.896 55 HD11 ILE 6 1HD1 ILE 6 1.581 0.774 -0.738 56 HD12 ILE 6 2HD1 ILE 6 1.606 2.468 -0.161 57 HD13 ILE 6 3HD1 ILE 6 1.385 1.115 0.994 58 H LYS 7 H LYS 7 -1.101 4.501 -3.662 59 HA LYS 7 HA LYS 7 -3.392 3.357 -4.957 60 HB2 LYS 7 2HB LYS 7 -3.354 5.721 -4.528 61 HB3 LYS 7 3HB LYS 7 -1.911 5.973 -5.500 62 HG2 LYS 7 2HG LYS 7 -3.080 5.590 -7.552 63 HG3 LYS 7 3HG LYS 7 -4.464 4.908 -6.707 64 HD2 LYS 7 2HD LYS 7 -4.998 7.142 -7.505 65 HD3 LYS 7 3HD LYS 7 -4.972 7.148 -5.736 66 HE2 LYS 7 2HE LYS 7 -2.694 8.127 -5.760 67 HE3 LYS 7 3HE LYS 7 -2.665 8.051 -7.527 68 HZ1 LYS 7 1HZ LYS 7 -3.275 10.268 -6.748 69 HZ2 LYS 7 2HZ LYS 7 -4.562 9.691 -5.925 70 HZ3 LYS 7 3HZ LYS 7 -4.532 9.620 -7.559 71 H GLN 8 H GLN 8 -0.407 4.335 -6.545 72 HA GLN 8 HA GLN 8 -0.715 3.508 -9.163 73 HB2 GLN 8 2HB GLN 8 1.335 4.665 -8.101 74 HB3 GLN 8 3HB GLN 8 1.720 3.179 -7.286 75 HG2 GLN 8 2HG GLN 8 2.168 2.050 -9.436 76 HG3 GLN 8 3HG GLN 8 1.697 3.537 -10.253 77 HE21 GLN 8 1HE2 GLN 8 3.861 3.395 -11.281 78 HE22 GLN 8 2HE2 GLN 8 5.235 4.022 -10.387 79 H TYR 9 H TYR 9 0.657 1.481 -6.559 80 HA TYR 9 HA TYR 9 0.688 -0.912 -8.218 81 HB2 TYR 9 2HB TYR 9 0.992 -0.373 -5.313 82 HB3 TYR 9 3HB TYR 9 1.399 -1.885 -6.127 83 HD1 TYR 9 HD1 TYR 9 3.137 -0.007 -4.363 84 HD2 TYR 9 HD2 TYR 9 2.742 -0.581 -8.636 85 HE1 TYR 9 HE1 TYR 9 5.491 0.523 -4.672 86 HE2 TYR 9 HE2 TYR 9 5.085 0.145 -8.952 87 HH TYR 9 HH TYR 9 7.051 0.680 -7.930 88 H ARG 10 H ARG 10 -1.541 0.207 -5.587 89 HA ARG 10 HA ARG 10 -3.033 -2.132 -5.499 90 HB2 ARG 10 2HB ARG 10 -3.580 -0.529 -3.924 91 HB3 ARG 10 3HB ARG 10 -3.687 0.787 -5.089 92 HG2 ARG 10 2HG ARG 10 -5.866 -0.285 -5.819 93 HG3 ARG 10 3HG ARG 10 -5.588 -1.341 -4.402 94 HD2 ARG 10 2HD ARG 10 -6.923 0.365 -3.589 95 HD3 ARG 10 3HD ARG 10 -5.332 0.724 -3.004 96 HE ARG 10 HE ARG 10 -5.668 2.772 -3.790 97 HH11 ARG 10 1HH1 ARG 10 -7.249 0.842 -6.316 98 HH12 ARG 10 2HH1 ARG 10 -7.903 2.281 -7.034 99 HH21 ARG 10 1HH2 ARG 10 -6.499 4.449 -4.752 100 HH22 ARG 10 2HH2 ARG 10 -7.448 4.274 -6.213 101 H LYS 11 H LYS 11 -3.643 0.747 -7.627 102 HA LYS 11 HA LYS 11 -5.777 -0.473 -9.024 103 HB2 LYS 11 2HB LYS 11 -5.264 0.983 -10.967 104 HB3 LYS 11 3HB LYS 11 -5.605 1.785 -9.418 105 HG2 LYS 11 2HG LYS 11 -3.469 2.648 -9.483 106 HG3 LYS 11 3HG LYS 11 -2.802 1.217 -10.026 107 HD2 LYS 11 2HD LYS 11 -2.418 2.613 -11.793 108 HD3 LYS 11 3HD LYS 11 -3.603 1.484 -12.326 109 HE2 LYS 11 2HE LYS 11 -5.419 3.162 -11.910 110 HE3 LYS 11 3HE LYS 11 -4.223 4.306 -11.294 111 HZ1 LYS 11 1HZ LYS 11 -4.773 4.758 -13.621 112 HZ2 LYS 11 2HZ LYS 11 -4.308 3.265 -14.082 113 HZ3 LYS 11 3HZ LYS 11 -3.203 4.328 -13.515 114 H GLU 12 H GLU 12 -2.254 -0.456 -9.723 115 HA GLU 12 HA GLU 12 -2.527 -1.686 -12.224 116 HB2 GLU 12 2HB GLU 12 -0.822 -0.196 -11.649 117 HB3 GLU 12 3HB GLU 12 -0.184 -1.253 -10.421 118 HG2 GLU 12 2HG GLU 12 -0.314 -1.921 -13.339 119 HG3 GLU 12 3HG GLU 12 1.042 -1.019 -12.637 120 H LYS 13 H LYS 13 -2.225 -3.034 -8.990 121 HA LYS 13 HA LYS 13 -1.927 -5.847 -9.684 122 HB2 LYS 13 2HB LYS 13 -2.769 -4.478 -7.105 123 HB3 LYS 13 3HB LYS 13 -2.581 -6.168 -7.304 124 HG2 LYS 13 2HG LYS 13 -0.214 -4.430 -7.914 125 HG3 LYS 13 3HG LYS 13 -0.644 -4.797 -6.273 126 HD2 LYS 13 2HD LYS 13 1.160 -6.219 -7.359 127 HD3 LYS 13 3HD LYS 13 -0.125 -7.052 -6.457 128 HE2 LYS 13 2HE LYS 13 -1.304 -7.554 -8.581 129 HE3 LYS 13 3HE LYS 13 -0.003 -6.768 -9.484 130 HZ1 LYS 13 1HZ LYS 13 1.523 -8.479 -8.536 131 HZ2 LYS 13 2HZ LYS 13 0.317 -9.172 -9.396 132 HZ3 LYS 13 3HZ LYS 13 0.269 -9.185 -7.765 133 H GLY 14 H GLY 14 -4.634 -3.743 -9.678 134 HA2 GLY 14 2HA GLY 14 -6.833 -4.435 -10.423 135 HA3 GLY 14 3HA GLY 14 -6.472 -6.117 -10.031 136 H TYR 15 H TYR 15 -5.673 -3.607 -7.819 137 HA TYR 15 HA TYR 15 -7.724 -4.542 -5.890 138 HB2 TYR 15 2HB TYR 15 -5.109 -3.057 -5.537 139 HB3 TYR 15 3HB TYR 15 -6.078 -3.638 -4.250 140 HD1 TYR 15 HD1 TYR 15 -3.181 -4.079 -4.501 141 HD2 TYR 15 HD2 TYR 15 -6.427 -6.375 -6.160 142 HE1 TYR 15 HE1 TYR 15 -1.797 -6.164 -4.321 143 HE2 TYR 15 HE2 TYR 15 -4.959 -8.403 -6.182 144 HH TYR 15 HH TYR 15 -1.674 -8.384 -4.739 145 H SER 16 H SER 16 -8.180 -3.008 -4.280 146 HA SER 16 HA SER 16 -8.792 -0.250 -4.960 147 HB2 SER 16 2HB SER 16 -11.073 -0.455 -4.133 148 HB3 SER 16 3HB SER 16 -10.914 -1.658 -5.464 149 HG SER 16 HG SER 16 -11.772 -2.848 -3.867 150 H LEU 17 H LEU 17 -9.848 0.634 -2.761 151 HA LEU 17 HA LEU 17 -7.605 0.413 -1.012 152 HB2 LEU 17 2HB LEU 17 -10.253 1.785 -0.366 153 HB3 LEU 17 3HB LEU 17 -8.750 1.934 0.376 154 HG LEU 17 HG LEU 17 -7.864 2.600 -2.055 155 HD11 LEU 17 1HD1 LEU 17 -9.920 2.174 -3.233 156 HD12 LEU 17 2HD1 LEU 17 -9.689 3.920 -3.179 157 HD13 LEU 17 3HD1 LEU 17 -10.839 3.135 -2.048 158 HD21 LEU 17 1HD2 LEU 17 -7.677 4.038 -0.258 159 HD22 LEU 17 2HD2 LEU 17 -9.445 4.284 -0.097 160 HD23 LEU 17 3HD2 LEU 17 -8.532 4.986 -1.476 161 H SER 18 H SER 18 -10.632 -1.181 -1.167 162 HA SER 18 HA SER 18 -10.475 -2.353 1.576 163 HB2 SER 18 2HB SER 18 -12.595 -1.558 1.084 164 HB3 SER 18 3HB SER 18 -12.527 -2.108 -0.583 165 HG SER 18 HG SER 18 -13.899 -3.425 0.758 166 H GLU 19 H GLU 19 -10.452 -3.459 -1.876 167 HA GLU 19 HA GLU 19 -9.859 -6.237 -1.453 168 HB2 GLU 19 3HB GLU 19 -9.085 -4.248 -3.562 169 HB3 GLU 19 2HB GLU 19 -8.388 -5.790 -3.625 170 HG2 GLU 19 2HG GLU 19 -10.459 -5.232 -5.012 171 HG3 GLU 19 3HG GLU 19 -10.313 -6.832 -4.265 172 H LEU 20 H LEU 20 -7.636 -3.449 -1.919 173 HA LEU 20 HA LEU 20 -5.313 -4.947 -1.643 174 HB2 LEU 20 2HB LEU 20 -5.721 -2.561 -2.565 175 HB3 LEU 20 3HB LEU 20 -5.664 -1.960 -0.987 176 HG LEU 20 HG LEU 20 -3.764 -2.545 -3.084 177 HD11 LEU 20 1HD1 LEU 20 -3.979 -0.524 -1.703 178 HD12 LEU 20 2HD1 LEU 20 -2.306 -1.132 -1.873 179 HD13 LEU 20 3HD1 LEU 20 -3.205 -1.440 -0.364 180 HD21 LEU 20 1HD2 LEU 20 -3.381 -4.649 -2.068 181 HD22 LEU 20 2HD2 LEU 20 -2.999 -3.864 -0.508 182 HD23 LEU 20 3HD2 LEU 20 -1.971 -3.610 -1.945 183 H ALA 21 H ALA 21 -7.152 -3.035 0.796 184 HA ALA 21 HA ALA 21 -5.523 -3.656 2.964 185 HB1 ALA 21 1HB ALA 21 -8.540 -3.351 3.015 186 HB2 ALA 21 2HB ALA 21 -7.414 -3.177 4.383 187 HB3 ALA 21 3HB ALA 21 -7.348 -2.036 3.022 188 H GLU 22 H GLU 22 -8.188 -5.702 1.756 189 HA GLU 22 HA GLU 22 -7.912 -7.615 3.954 190 HB2 GLU 22 2HB GLU 22 -9.316 -9.114 2.741 191 HB3 GLU 22 3HB GLU 22 -10.046 -7.494 2.746 192 HG2 GLU 22 2HG GLU 22 -9.825 -7.226 0.479 193 HG3 GLU 22 3HG GLU 22 -8.465 -8.329 0.453 194 H LYS 23 H LYS 23 -6.392 -7.245 0.823 195 HA LYS 23 HA LYS 23 -5.175 -9.914 0.750 196 HB2 LYS 23 2HB LYS 23 -4.670 -7.329 -0.779 197 HB3 LYS 23 3HB LYS 23 -3.884 -8.878 -1.158 198 HG2 LYS 23 2HG LYS 23 -6.009 -9.915 -1.676 199 HG3 LYS 23 3HG LYS 23 -6.880 -8.544 -1.109 200 HD2 LYS 23 2HD LYS 23 -5.630 -7.148 -3.019 201 HD3 LYS 23 3HD LYS 23 -5.352 -8.733 -3.711 202 HE2 LYS 23 2HE LYS 23 -8.088 -7.744 -2.846 203 HE3 LYS 23 3HE LYS 23 -7.480 -7.690 -4.501 204 HZ1 LYS 23 1HZ LYS 23 -7.981 -10.148 -2.907 205 HZ2 LYS 23 2HZ LYS 23 -7.309 -10.154 -4.403 206 HZ3 LYS 23 3HZ LYS 23 -8.845 -9.644 -4.187 207 H ALA 24 H ALA 24 -3.920 -6.601 1.219 208 HA ALA 24 HA ALA 24 -1.349 -6.996 2.026 209 HB1 ALA 24 1HB ALA 24 -2.347 -4.860 1.595 210 HB2 ALA 24 2HB ALA 24 -3.549 -5.079 2.866 211 HB3 ALA 24 3HB ALA 24 -1.834 -4.794 3.317 212 H GLY 25 H GLY 25 -4.330 -7.177 4.007 213 HA2 GLY 25 2HA GLY 25 -4.568 -8.219 6.141 214 HA3 GLY 25 3HA GLY 25 -2.817 -8.248 6.340 215 H VAL 26 H VAL 26 -4.897 -5.518 5.490 216 HA VAL 26 HA VAL 26 -3.947 -3.987 7.900 217 HB VAL 26 HB VAL 26 -3.421 -2.132 6.644 218 HG11 VAL 26 1HG1 VAL 26 -2.058 -4.683 5.736 219 HG12 VAL 26 2HG1 VAL 26 -1.388 -3.037 5.558 220 HG13 VAL 26 3HG1 VAL 26 -1.817 -3.699 7.207 221 HG21 VAL 26 1HG2 VAL 26 -4.932 -2.362 4.854 222 HG22 VAL 26 2HG2 VAL 26 -3.257 -2.229 4.252 223 HG23 VAL 26 3HG2 VAL 26 -4.034 -3.852 4.346 224 H ALA 27 H ALA 27 -5.153 -1.802 7.617 225 HA ALA 27 HA ALA 27 -8.097 -2.389 7.705 226 HB1 ALA 27 1HB ALA 27 -8.204 -0.213 8.846 227 HB2 ALA 27 2HB ALA 27 -6.960 -1.262 9.587 228 HB3 ALA 27 3HB ALA 27 -6.469 0.056 8.512 229 H LYS 28 H LYS 28 -9.559 -1.501 6.029 230 HA LYS 28 HA LYS 28 -8.381 -0.320 3.665 231 HB2 LYS 28 2HB LYS 28 -10.723 -1.131 3.577 232 HB3 LYS 28 3HB LYS 28 -11.227 0.146 4.705 233 HG2 LYS 28 2HG LYS 28 -9.768 1.005 2.202 234 HG3 LYS 28 3HG LYS 28 -11.383 0.449 2.059 235 HD2 LYS 28 2HD LYS 28 -12.153 2.109 3.749 236 HD3 LYS 28 3HD LYS 28 -10.562 2.854 3.443 237 HE2 LYS 28 2HE LYS 28 -10.982 3.250 1.180 238 HE3 LYS 28 3HE LYS 28 -12.375 2.183 1.141 239 HZ1 LYS 28 1HZ LYS 28 -12.264 4.744 2.664 240 HZ2 LYS 28 2HZ LYS 28 -13.564 3.763 2.563 241 HZ3 LYS 28 3HZ LYS 28 -13.033 4.539 1.234 242 H SER 29 H SER 29 -9.644 1.101 6.632 243 HA SER 29 HA SER 29 -9.546 3.721 5.795 244 HB2 SER 29 2HB SER 29 -10.619 3.002 7.889 245 HB3 SER 29 3HB SER 29 -9.038 2.606 8.577 246 HG SER 29 HG SER 29 -10.082 5.175 7.931 247 H TYR 30 H TYR 30 -6.871 1.595 6.643 248 HA TYR 30 HA TYR 30 -4.770 3.619 6.736 249 HB2 TYR 30 2HB TYR 30 -4.770 0.620 6.565 250 HB3 TYR 30 3HB TYR 30 -3.702 1.350 5.470 251 HD1 TYR 30 HD1 TYR 30 -2.071 3.024 6.050 252 HD2 TYR 30 HD2 TYR 30 -4.055 0.655 9.036 253 HE1 TYR 30 HE1 TYR 30 -0.205 3.423 7.499 254 HE2 TYR 30 HE2 TYR 30 -2.191 1.144 10.626 255 HH TYR 30 HH TYR 30 -0.279 2.338 10.984 256 H LEU 31 H LEU 31 -5.872 1.441 4.049 257 HA LEU 31 HA LEU 31 -4.092 2.748 2.349 258 HB2 LEU 31 3HB LEU 31 -6.587 1.149 1.662 259 HB3 LEU 31 2HB LEU 31 -5.426 1.717 0.449 260 HG LEU 31 HG LEU 31 -4.981 -0.556 0.864 261 HD11 LEU 31 1HD1 LEU 31 -2.734 -0.701 2.030 262 HD12 LEU 31 2HD1 LEU 31 -2.910 0.996 2.464 263 HD13 LEU 31 3HD1 LEU 31 -2.814 0.543 0.751 264 HD21 LEU 31 1HD2 LEU 31 -4.463 -0.174 3.797 265 HD22 LEU 31 2HD2 LEU 31 -4.868 -1.620 2.815 266 HD23 LEU 31 3HD2 LEU 31 -6.118 -0.440 3.180 267 H SER 32 H SER 32 -7.584 3.458 2.899 268 HA SER 32 HA SER 32 -7.733 5.624 1.028 269 HB2 SER 32 2HB SER 32 -9.609 6.468 2.257 270 HB3 SER 32 3HB SER 32 -9.713 4.724 2.009 271 HG SER 32 HG SER 32 -9.220 6.161 4.393 272 H SER 33 H SER 33 -6.624 5.676 4.502 273 HA SER 33 HA SER 33 -6.158 8.529 4.343 274 HB2 SER 33 2HB SER 33 -6.723 7.329 6.408 275 HB3 SER 33 3HB SER 33 -5.159 6.510 6.357 276 HG SER 33 HG SER 33 -5.302 8.476 7.695 277 H ILE 34 H ILE 34 -3.827 5.722 3.952 278 HA ILE 34 HA ILE 34 -1.488 7.085 3.473 279 HB ILE 34 HB ILE 34 -2.720 4.708 1.978 280 HG12 ILE 34 2HG1 ILE 34 -2.255 4.248 4.380 281 HG13 ILE 34 3HG1 ILE 34 -1.357 3.230 3.332 282 HG21 ILE 34 1HG2 ILE 34 -1.162 5.550 0.444 283 HG22 ILE 34 2HG2 ILE 34 0.013 5.968 1.723 284 HG23 ILE 34 3HG2 ILE 34 -0.295 4.258 1.240 285 HD11 ILE 34 1HD1 ILE 34 -0.164 5.707 4.500 286 HD12 ILE 34 2HD1 ILE 34 -0.027 4.087 5.218 287 HD13 ILE 34 3HD1 ILE 34 0.666 4.411 3.620 288 H GLU 35 H GLU 35 -3.983 6.322 1.053 289 HA GLU 35 HA GLU 35 -2.959 8.020 -1.004 290 HB2 GLU 35 2HB GLU 35 -5.752 6.892 -0.576 291 HB3 GLU 35 3HB GLU 35 -5.213 7.727 -2.044 292 HG2 GLU 35 2HG GLU 35 -3.393 6.078 -2.331 293 HG3 GLU 35 3HG GLU 35 -3.904 5.210 -0.900 294 H ARG 36 H ARG 36 -5.060 8.923 1.713 295 HA ARG 36 HA ARG 36 -5.291 11.703 0.753 296 HB2 ARG 36 2HB ARG 36 -5.807 10.516 3.510 297 HB3 ARG 36 3HB ARG 36 -6.097 12.190 3.053 298 HG2 ARG 36 2HG ARG 36 -7.466 9.899 1.616 299 HG3 ARG 36 3HG ARG 36 -8.125 10.638 3.081 300 HD2 ARG 36 2HD ARG 36 -8.329 12.776 2.042 301 HD3 ARG 36 3HD ARG 36 -7.326 12.291 0.684 302 HE ARG 36 HE ARG 36 -10.184 11.762 1.076 303 HH11 ARG 36 1HH1 ARG 36 -7.388 10.709 -0.769 304 HH12 ARG 36 2HH1 ARG 36 -8.373 10.024 -2.031 305 HH21 ARG 36 1HH2 ARG 36 -11.367 10.861 -0.567 306 HH22 ARG 36 2HH2 ARG 36 -10.564 10.104 -1.911 307 H ASN 37 H ASN 37 -3.773 10.813 3.831 308 HA ASN 37 HA ASN 37 -1.225 11.993 3.199 309 HB2 ASN 37 2HB ASN 37 -2.741 14.042 3.362 310 HB3 ASN 37 3HB ASN 37 -2.997 13.636 5.056 311 HD21 ASN 37 1HD2 ASN 37 -2.026 15.639 5.730 312 HD22 ASN 37 2HD2 ASN 37 -0.293 15.890 5.581 313 H LEU 38 H LEU 38 -1.966 9.496 4.346 314 HA LEU 38 HA LEU 38 -1.068 9.562 7.156 315 HB2 LEU 38 2HB LEU 38 -2.741 7.911 6.088 316 HB3 LEU 38 3HB LEU 38 -1.357 7.097 5.459 317 HG LEU 38 HG LEU 38 -1.803 7.530 8.386 318 HD11 LEU 38 1HD1 LEU 38 -3.589 6.200 7.693 319 HD12 LEU 38 2HD1 LEU 38 -2.418 5.093 8.384 320 HD13 LEU 38 3HD1 LEU 38 -2.558 5.227 6.614 321 HD21 LEU 38 1HD2 LEU 38 0.544 7.044 7.989 322 HD22 LEU 38 2HD2 LEU 38 0.107 5.700 6.909 323 HD23 LEU 38 3HD2 LEU 38 -0.230 5.612 8.645 324 H GLN 39 H GLN 39 0.192 8.298 4.056 325 HA GLN 39 HA GLN 39 2.749 7.797 5.221 326 HB2 GLN 39 2HB GLN 39 1.362 6.961 2.945 327 HB3 GLN 39 3HB GLN 39 2.767 7.692 2.268 328 HG2 GLN 39 2HG GLN 39 2.598 5.446 4.320 329 HG3 GLN 39 3HG GLN 39 3.120 5.312 2.640 330 HE21 GLN 39 1HE2 GLN 39 4.892 7.968 3.283 331 HE22 GLN 39 2HE2 GLN 39 6.233 7.186 4.108 332 H THR 40 H THR 40 2.011 10.475 5.475 333 HA THR 40 HA THR 40 4.506 11.843 4.680 334 HB THR 40 HB THR 40 2.600 13.256 5.142 335 HG1 THR 40 HG1 THR 40 4.532 14.065 5.914 336 HG21 THR 40 1HG2 THR 40 1.273 11.737 6.580 337 HG22 THR 40 2HG2 THR 40 1.469 13.330 7.314 338 HG23 THR 40 3HG2 THR 40 2.434 11.956 7.900 339 H ASN 41 H ASN 41 3.201 9.611 7.104 340 HA ASN 41 HA ASN 41 5.857 9.458 8.464 341 HB2 ASN 41 2HB ASN 41 4.262 10.735 9.803 342 HB3 ASN 41 3HB ASN 41 3.084 9.425 9.683 343 HD21 ASN 41 1HD2 ASN 41 2.987 8.964 11.918 344 HD22 ASN 41 2HD2 ASN 41 4.372 8.318 12.788 345 HA PRO 42 HA PRO 42 5.247 5.216 7.011 346 HB2 PRO 42 2HB PRO 42 7.816 4.869 8.572 347 HB3 PRO 42 3HB PRO 42 7.390 4.209 6.968 348 HG2 PRO 42 2HG PRO 42 8.955 6.387 7.117 349 HG3 PRO 42 3HG PRO 42 7.588 6.381 5.950 350 HD2 PRO 42 2HD PRO 42 7.688 7.622 8.720 351 HD3 PRO 42 3HD PRO 42 7.109 8.327 7.179 352 H SER 43 H SER 43 4.390 3.345 7.745 353 HA SER 43 HA SER 43 4.938 2.419 10.549 354 HB2 SER 43 2HB SER 43 2.590 2.945 10.438 355 HB3 SER 43 3HB SER 43 2.419 1.983 8.955 356 HG SER 43 HG SER 43 1.876 0.866 10.962 357 H ILE 44 H ILE 44 6.721 1.262 10.132 358 HA ILE 44 HA ILE 44 7.263 0.089 7.631 359 HB ILE 44 HB ILE 44 8.518 -0.638 10.295 360 HG12 ILE 44 2HG1 ILE 44 10.447 0.743 9.292 361 HG13 ILE 44 3HG1 ILE 44 9.306 1.359 8.104 362 HG21 ILE 44 1HG2 ILE 44 9.393 -1.231 7.424 363 HG22 ILE 44 2HG2 ILE 44 10.403 -1.476 8.868 364 HG23 ILE 44 3HG2 ILE 44 8.936 -2.419 8.665 365 HD11 ILE 44 1HD1 ILE 44 8.088 2.551 9.850 366 HD12 ILE 44 2HD1 ILE 44 8.983 1.680 11.127 367 HD13 ILE 44 3HD1 ILE 44 9.807 2.853 10.082 368 H GLN 45 H GLN 45 5.783 -1.444 10.509 369 HA GLN 45 HA GLN 45 5.682 -4.096 9.526 370 HB2 GLN 45 2HB GLN 45 3.741 -2.632 11.354 371 HB3 GLN 45 3HB GLN 45 3.762 -4.381 11.071 372 HG2 GLN 45 2HG GLN 45 6.124 -4.464 11.907 373 HG3 GLN 45 3HG GLN 45 6.029 -2.745 12.298 374 HE21 GLN 45 1HE2 GLN 45 6.701 -4.176 14.412 375 HE22 GLN 45 2HE2 GLN 45 5.326 -4.459 15.473 376 H PHE 46 H PHE 46 3.332 -1.471 9.127 377 HA PHE 46 HA PHE 46 1.298 -2.935 7.527 378 HB2 PHE 46 2HB PHE 46 0.530 -0.941 8.614 379 HB3 PHE 46 3HB PHE 46 1.976 -0.041 8.192 380 HD1 PHE 46 HD1 PHE 46 -1.302 -1.101 6.993 381 HD2 PHE 46 HD2 PHE 46 2.360 0.901 5.954 382 HE1 PHE 46 HE1 PHE 46 -2.299 -0.430 4.835 383 HE2 PHE 46 HE2 PHE 46 1.425 1.506 3.729 384 HZ PHE 46 HZ PHE 46 -0.938 0.958 3.228 385 H LEU 47 H LEU 47 4.168 -1.037 6.853 386 HA LEU 47 HA LEU 47 3.733 -0.998 3.972 387 HB2 LEU 47 2HB LEU 47 6.205 -0.599 5.730 388 HB3 LEU 47 3HB LEU 47 6.309 -0.539 3.992 389 HG LEU 47 HG LEU 47 4.545 1.385 5.582 390 HD11 LEU 47 1HD1 LEU 47 6.444 2.996 5.308 391 HD12 LEU 47 2HD1 LEU 47 7.475 1.652 4.788 392 HD13 LEU 47 3HD1 LEU 47 6.798 1.688 6.434 393 HD21 LEU 47 1HD2 LEU 47 5.833 1.464 2.841 394 HD22 LEU 47 2HD2 LEU 47 4.971 2.826 3.566 395 HD23 LEU 47 3HD2 LEU 47 4.081 1.341 3.211 396 H GLU 48 H GLU 48 5.603 -3.174 6.148 397 HA GLU 48 HA GLU 48 6.505 -4.958 4.195 398 HB2 GLU 48 2HB GLU 48 5.373 -6.148 6.727 399 HB3 GLU 48 3HB GLU 48 6.729 -6.645 5.736 400 HG2 GLU 48 2HG GLU 48 7.779 -4.345 6.611 401 HG3 GLU 48 3HG GLU 48 6.563 -4.539 7.843 402 H LYS 49 H LYS 49 3.399 -5.025 5.971 403 HA LYS 49 HA LYS 49 2.095 -7.205 4.811 404 HB2 LYS 49 2HB LYS 49 0.920 -4.515 5.662 405 HB3 LYS 49 3HB LYS 49 -0.009 -5.865 5.477 406 HG2 LYS 49 2HG LYS 49 2.093 -6.664 7.272 407 HG3 LYS 49 3HG LYS 49 1.672 -4.991 7.649 408 HD2 LYS 49 2HD LYS 49 0.351 -6.313 9.088 409 HD3 LYS 49 3HD LYS 49 -0.723 -5.660 7.858 410 HE2 LYS 49 2HE LYS 49 -1.328 -7.949 8.273 411 HE3 LYS 49 3HE LYS 49 -0.656 -7.844 6.648 412 HZ1 LYS 49 1HZ LYS 49 0.214 -9.758 7.882 413 HZ2 LYS 49 2HZ LYS 49 0.816 -8.799 9.055 414 HZ3 LYS 49 3HZ LYS 49 1.441 -8.741 7.544 415 H VAL 50 H VAL 50 1.560 -3.880 3.682 416 HA VAL 50 HA VAL 50 0.138 -4.936 1.249 417 HB VAL 50 HB VAL 50 -1.032 -3.182 2.122 418 HG11 VAL 50 1HG1 VAL 50 0.169 -2.255 3.638 419 HG12 VAL 50 2HG1 VAL 50 1.619 -1.974 2.595 420 HG13 VAL 50 3HG1 VAL 50 0.150 -0.947 2.423 421 HG21 VAL 50 1HG2 VAL 50 0.536 -1.774 0.003 422 HG22 VAL 50 2HG2 VAL 50 -0.666 -3.071 -0.315 423 HG23 VAL 50 3HG2 VAL 50 -1.143 -1.541 0.470 424 H SER 51 H SER 51 3.334 -3.382 1.836 425 HA SER 51 HA SER 51 3.954 -3.123 -1.012 426 HB2 SER 51 2HB SER 51 6.229 -3.029 -0.460 427 HB3 SER 51 3HB SER 51 5.427 -2.195 0.849 428 HG SER 51 HG SER 51 5.735 -3.888 2.142 429 H ALA 52 H ALA 52 4.237 -5.763 1.330 430 HA ALA 52 HA ALA 52 5.428 -7.716 -0.426 431 HB1 ALA 52 1HB ALA 52 3.548 -8.014 1.957 432 HB2 ALA 52 2HB ALA 52 4.345 -9.388 1.148 433 HB3 ALA 52 3HB ALA 52 5.319 -8.142 1.952 434 H VAL 53 H VAL 53 2.009 -6.935 0.269 435 HA VAL 53 HA VAL 53 0.988 -8.724 -1.737 436 HB VAL 53 HB VAL 53 0.013 -7.256 0.391 437 HG11 VAL 53 1HG1 VAL 53 -1.598 -6.303 -2.002 438 HG12 VAL 53 2HG1 VAL 53 -2.002 -6.125 -0.299 439 HG13 VAL 53 3HG1 VAL 53 -0.608 -5.267 -0.917 440 HG21 VAL 53 1HG2 VAL 53 -0.584 -9.522 -0.533 441 HG22 VAL 53 2HG2 VAL 53 -1.797 -8.486 0.174 442 HG23 VAL 53 3HG2 VAL 53 -1.703 -8.642 -1.635 443 H LEU 54 H LEU 54 1.951 -5.365 -2.038 444 HA LEU 54 HA LEU 54 0.903 -5.071 -4.726 445 HB2 LEU 54 2HB LEU 54 2.715 -3.305 -2.993 446 HB3 LEU 54 3HB LEU 54 2.207 -2.887 -4.572 447 HG LEU 54 HG LEU 54 0.356 -3.457 -2.282 448 HD11 LEU 54 1HD1 LEU 54 1.617 -1.529 -1.837 449 HD12 LEU 54 2HD1 LEU 54 -0.011 -0.983 -2.300 450 HD13 LEU 54 3HD1 LEU 54 1.377 -0.855 -3.407 451 HD21 LEU 54 1HD2 LEU 54 -1.066 -3.901 -4.170 452 HD22 LEU 54 2HD2 LEU 54 -0.291 -2.702 -5.162 453 HD23 LEU 54 3HD2 LEU 54 -1.426 -2.209 -3.911 454 H ASP 55 H ASP 55 3.414 -6.945 -3.861 455 HA ASP 55 HA ASP 55 5.201 -7.823 -4.930 456 HB2 ASP 55 2HB ASP 55 4.113 -6.405 -7.365 457 HB3 ASP 55 3HB ASP 55 5.582 -7.287 -7.412 458 H VAL 56 H VAL 56 5.412 -5.590 -3.371 459 HA VAL 56 HA VAL 56 7.608 -3.906 -4.499 460 HB VAL 56 HB VAL 56 4.778 -3.539 -3.650 461 HG11 VAL 56 1HG1 VAL 56 6.522 -1.123 -3.547 462 HG12 VAL 56 2HG1 VAL 56 4.734 -1.322 -3.376 463 HG13 VAL 56 3HG1 VAL 56 5.802 -1.918 -2.130 464 HG21 VAL 56 1HG2 VAL 56 5.641 -3.768 -5.994 465 HG22 VAL 56 2HG2 VAL 56 4.682 -2.339 -5.669 466 HG23 VAL 56 3HG2 VAL 56 6.480 -2.201 -5.742 467 H SER 57 H SER 57 8.542 -2.358 -2.709 468 HA SER 57 HA SER 57 9.258 -4.238 -0.537 469 HB2 SER 57 2HB SER 57 11.200 -2.590 -2.160 470 HB3 SER 57 3HB SER 57 11.569 -3.932 -1.072 471 HG SER 57 HG SER 57 11.601 -4.578 -3.274 472 H VAL 58 H VAL 58 7.690 -2.372 0.469 473 HA VAL 58 HA VAL 58 7.468 -1.109 2.293 474 HB VAL 58 HB VAL 58 10.225 -2.235 2.996 475 HG11 VAL 58 1HG1 VAL 58 8.157 -1.392 5.036 476 HG12 VAL 58 2HG1 VAL 58 9.806 -1.888 5.305 477 HG13 VAL 58 3HG1 VAL 58 9.501 -0.313 4.563 478 HG21 VAL 58 1HG2 VAL 58 7.422 -3.103 3.707 479 HG22 VAL 58 2HG2 VAL 58 8.512 -3.976 2.587 480 HG23 VAL 58 3HG2 VAL 58 8.896 -3.883 4.312 481 H HIS 59 H HIS 59 10.896 -0.425 1.378 482 HA HIS 59 HA HIS 59 10.715 2.423 2.038 483 HB2 HIS 59 2HB HIS 59 12.480 2.465 0.023 484 HB3 HIS 59 3HB HIS 59 12.859 2.073 1.647 485 HD1 HIS 59 HD1 HIS 59 14.408 0.096 1.882 486 HD2 HIS 59 HD2 HIS 59 12.064 0.028 -1.618 487 HE1 HIS 59 HE1 HIS 59 15.179 -1.943 0.527 488 H THR 60 H THR 60 10.163 0.428 -0.787 489 HA THR 60 HA THR 60 10.057 2.260 -2.862 490 HB THR 60 HB THR 60 8.080 0.004 -2.416 491 HG1 THR 60 HG1 THR 60 10.544 -0.238 -3.736 492 HG21 THR 60 1HG2 THR 60 9.201 1.394 -4.816 493 HG22 THR 60 2HG2 THR 60 7.507 1.298 -4.279 494 HG23 THR 60 3HG2 THR 60 8.274 -0.171 -4.922 495 H LEU 61 H LEU 61 7.380 1.521 -0.656 496 HA LEU 61 HA LEU 61 5.440 3.186 -1.888 497 HB2 LEU 61 2HB LEU 61 5.762 2.259 0.943 498 HB3 LEU 61 3HB LEU 61 4.240 2.753 0.229 499 HG LEU 61 HG LEU 61 5.879 0.260 -0.626 500 HD11 LEU 61 1HD1 LEU 61 3.817 -0.851 0.373 501 HD12 LEU 61 2HD1 LEU 61 3.521 0.677 1.226 502 HD13 LEU 61 3HD1 LEU 61 5.085 -0.169 1.428 503 HD21 LEU 61 1HD2 LEU 61 4.755 1.111 -2.552 504 HD22 LEU 61 2HD2 LEU 61 3.344 1.597 -1.644 505 HD23 LEU 61 3HD2 LEU 61 3.663 -0.135 -1.882 506 H LEU 62 H LEU 62 7.723 3.929 0.783 507 HA LEU 62 HA LEU 62 6.607 6.662 1.040 508 HB2 LEU 62 2HB LEU 62 7.875 6.847 2.981 509 HB3 LEU 62 3HB LEU 62 7.306 5.205 2.970 510 HG LEU 62 HG LEU 62 9.802 4.940 1.769 511 HD11 LEU 62 1HD1 LEU 62 10.452 7.239 2.155 512 HD12 LEU 62 2HD1 LEU 62 11.417 6.130 3.127 513 HD13 LEU 62 3HD1 LEU 62 10.109 7.057 3.901 514 HD21 LEU 62 1HD2 LEU 62 8.847 3.502 3.405 515 HD22 LEU 62 2HD2 LEU 62 9.099 4.719 4.689 516 HD23 LEU 62 3HD2 LEU 62 10.497 3.968 3.880 517 H ASP 63 H ASP 63 9.190 4.996 -0.521 518 HA ASP 63 HA ASP 63 10.935 7.333 -0.737 519 HB2 ASP 63 2HB ASP 63 11.720 5.455 0.475 520 HB3 ASP 63 3HB ASP 63 11.464 4.379 -0.945 521 H GLU 64 H GLU 64 12.486 7.215 -2.424 522 HA GLU 64 HA GLU 64 11.275 7.321 -5.157 523 HB2 GLU 64 2HB GLU 64 12.141 9.692 -5.167 524 HB3 GLU 64 3HB GLU 64 10.835 9.351 -4.044 525 HG2 GLU 64 2HG GLU 64 12.623 9.112 -2.185 526 HG3 GLU 64 3HG GLU 64 13.766 9.780 -3.360 527 H LYS 65 H LYS 65 13.425 5.692 -3.804 528 HA LYS 65 HA LYS 65 15.445 5.590 -5.945 529 HB2 LYS 65 2HB LYS 65 17.375 5.771 -4.401 530 HB3 LYS 65 3HB LYS 65 16.409 7.253 -4.404 531 HG2 LYS 65 2HG LYS 65 15.180 6.198 -2.450 532 HG3 LYS 65 3HG LYS 65 16.515 5.098 -2.243 533 HD2 LYS 65 2HD LYS 65 16.621 8.146 -2.149 534 HD3 LYS 65 3HD LYS 65 16.227 7.134 -0.751 535 HE2 LYS 65 2HE LYS 65 18.809 6.761 -2.367 536 HE3 LYS 65 3HE LYS 65 18.703 7.991 -1.103 537 HZ1 LYS 65 1HZ LYS 65 18.219 6.291 0.517 538 HZ2 LYS 65 2HZ LYS 65 19.589 5.862 -0.253 539 HZ3 LYS 65 3HZ LYS 65 18.199 5.102 -0.607 540 H HIS 66 H HIS 66 14.014 4.151 -3.000 541 HA HIS 66 HA HIS 66 13.538 2.131 -2.410 542 HB2 HIS 66 2HB HIS 66 12.804 0.470 -3.996 543 HB3 HIS 66 3HB HIS 66 12.216 2.068 -4.381 544 HD1 HIS 66 HD1 HIS 66 12.768 3.005 -6.788 545 HD2 HIS 66 HD2 HIS 66 14.859 -0.483 -5.704 546 HE1 HIS 66 HE1 HIS 66 13.945 2.192 -8.897 547 H GLU 67 H GLU 67 16.111 2.848 -2.029 548 HA GLU 67 HA GLU 67 17.308 0.277 -1.433 549 HB2 GLU 67 2HB GLU 67 18.061 0.831 -3.823 550 HB3 GLU 67 3HB GLU 67 18.941 2.197 -3.137 551 HG2 GLU 67 2HG GLU 67 20.181 0.560 -1.662 552 HG3 GLU 67 3HG GLU 67 19.321 -0.741 -2.483 553 H THR 68 H THR 68 18.772 0.458 0.275 554 HA THR 68 HA THR 68 19.492 1.108 2.239 555 HB THR 68 HB THR 68 21.017 2.814 2.490 556 HG1 THR 68 HG1 THR 68 19.975 4.620 1.964 557 HG21 THR 68 1HG2 THR 68 21.643 1.174 0.693 558 HG22 THR 68 2HG2 THR 68 22.442 2.754 0.579 559 HG23 THR 68 3HG2 THR 68 21.098 2.371 -0.511 560 H GLU 69 H GLU 69 16.768 2.615 1.289 561 HA GLU 69 HA GLU 69 16.248 3.962 3.896 562 HB2 GLU 69 2HB GLU 69 14.449 3.682 1.457 563 HB3 GLU 69 3HB GLU 69 14.073 4.590 2.911 564 HG2 GLU 69 2HG GLU 69 16.090 5.199 0.763 565 HG3 GLU 69 3HG GLU 69 14.750 6.183 1.340 Start of MODEL 9 1 H1 MET 1 1H MET 1 9.160 10.007 0.617 2 H2 MET 1 2H MET 1 9.167 10.500 2.182 3 H3 MET 1 3H MET 1 8.627 11.513 1.007 4 HA MET 1 HA MET 1 7.346 8.944 1.679 5 HB2 MET 1 2HB MET 1 6.524 11.758 2.526 6 HB3 MET 1 3HB MET 1 5.485 10.336 2.608 7 HG2 MET 1 2HG MET 1 6.367 10.596 4.768 8 HG3 MET 1 3HG MET 1 7.200 9.214 4.070 9 HE1 MET 1 1HE MET 1 9.786 10.777 6.584 10 HE2 MET 1 2HE MET 1 8.025 10.602 6.743 11 HE3 MET 1 3HE MET 1 8.993 9.280 6.049 12 H ILE 2 H ILE 2 5.633 8.359 0.350 13 HA ILE 2 HA ILE 2 5.049 10.153 -1.987 14 HB ILE 2 HB ILE 2 5.561 7.207 -2.251 15 HG12 ILE 2 2HG1 ILE 2 7.684 8.375 -1.904 16 HG13 ILE 2 3HG1 ILE 2 7.515 7.595 -3.462 17 HG21 ILE 2 1HG2 ILE 2 3.896 7.838 -3.814 18 HG22 ILE 2 2HG2 ILE 2 4.761 9.332 -4.239 19 HG23 ILE 2 3HG2 ILE 2 5.420 7.757 -4.704 20 HD11 ILE 2 1HD1 ILE 2 7.082 9.720 -4.555 21 HD12 ILE 2 2HD1 ILE 2 7.101 10.562 -2.990 22 HD13 ILE 2 3HD1 ILE 2 8.588 9.812 -3.621 23 H GLY 3 H GLY 3 3.877 7.087 -0.486 24 HA2 GLY 3 2HA GLY 3 1.766 6.442 0.200 25 HA3 GLY 3 3HA GLY 3 1.206 8.104 0.054 26 H GLN 4 H GLN 4 1.392 8.689 -2.629 27 HA GLN 4 HA GLN 4 -0.671 7.216 -3.889 28 HB2 GLN 4 2HB GLN 4 -0.179 8.516 -5.789 29 HB3 GLN 4 3HB GLN 4 -0.028 9.562 -4.393 30 HG2 GLN 4 2HG GLN 4 2.380 9.559 -4.546 31 HG3 GLN 4 3HG GLN 4 2.379 8.256 -5.755 32 HE21 GLN 4 1HE2 GLN 4 1.276 8.801 -7.916 33 HE22 GLN 4 2HE2 GLN 4 1.429 10.466 -8.461 34 H ARG 5 H ARG 5 2.507 6.201 -3.282 35 HA ARG 5 HA ARG 5 2.880 4.357 -5.491 36 HB2 ARG 5 2HB ARG 5 4.259 4.994 -2.985 37 HB3 ARG 5 3HB ARG 5 3.762 3.380 -2.815 38 HG2 ARG 5 2HG ARG 5 5.843 3.072 -3.823 39 HG3 ARG 5 3HG ARG 5 4.772 2.976 -5.160 40 HD2 ARG 5 2HD ARG 5 5.096 5.615 -5.199 41 HD3 ARG 5 3HD ARG 5 6.579 5.254 -4.337 42 HE ARG 5 HE ARG 5 5.839 4.434 -7.118 43 HH11 ARG 5 1HH1 ARG 5 7.494 4.026 -8.528 44 HH12 ARG 5 2HH1 ARG 5 9.122 3.820 -7.954 45 HH21 ARG 5 1HH2 ARG 5 9.613 4.106 -5.825 46 HH22 ARG 5 2HH2 ARG 5 8.358 4.358 -4.643 47 H ILE 6 H ILE 6 1.251 4.022 -2.207 48 HA ILE 6 HA ILE 6 0.361 1.385 -2.716 49 HB ILE 6 HB ILE 6 -0.514 3.552 -0.796 50 HG12 ILE 6 2HG1 ILE 6 -0.789 1.790 0.765 51 HG13 ILE 6 3HG1 ILE 6 -0.662 0.553 -0.494 52 HG21 ILE 6 1HG2 ILE 6 -2.717 3.327 -1.833 53 HG22 ILE 6 2HG2 ILE 6 -2.601 1.557 -1.784 54 HG23 ILE 6 3HG2 ILE 6 -2.729 2.527 -0.282 55 HD11 ILE 6 1HD1 ILE 6 1.606 0.838 -0.708 56 HD12 ILE 6 2HD1 ILE 6 1.592 2.524 -0.109 57 HD13 ILE 6 3HD1 ILE 6 1.384 1.148 1.022 58 H LYS 7 H LYS 7 -1.145 4.562 -3.624 59 HA LYS 7 HA LYS 7 -3.410 3.402 -4.936 60 HB2 LYS 7 2HB LYS 7 -3.402 5.751 -4.461 61 HB3 LYS 7 3HB LYS 7 -1.930 6.043 -5.375 62 HG2 LYS 7 2HG LYS 7 -3.035 5.632 -7.485 63 HG3 LYS 7 3HG LYS 7 -4.502 5.119 -6.666 64 HD2 LYS 7 2HD LYS 7 -3.273 7.920 -6.614 65 HD3 LYS 7 3HD LYS 7 -4.638 7.415 -7.616 66 HE2 LYS 7 2HE LYS 7 -5.956 6.917 -5.551 67 HE3 LYS 7 3HE LYS 7 -4.609 7.491 -4.565 68 HZ1 LYS 7 1HZ LYS 7 -4.860 9.682 -5.620 69 HZ2 LYS 7 2HZ LYS 7 -6.256 9.235 -4.903 70 HZ3 LYS 7 3HZ LYS 7 -6.113 9.148 -6.525 71 H GLN 8 H GLN 8 -0.440 4.461 -6.497 72 HA GLN 8 HA GLN 8 -0.690 3.635 -9.118 73 HB2 GLN 8 2HB GLN 8 1.347 4.790 -8.005 74 HB3 GLN 8 3HB GLN 8 1.726 3.299 -7.205 75 HG2 GLN 8 2HG GLN 8 2.251 2.200 -9.330 76 HG3 GLN 8 3HG GLN 8 1.695 3.649 -10.162 77 HE21 GLN 8 1HE2 GLN 8 3.824 3.637 -11.235 78 HE22 GLN 8 2HE2 GLN 8 5.177 4.354 -10.379 79 H TYR 9 H TYR 9 0.656 1.603 -6.513 80 HA TYR 9 HA TYR 9 0.717 -0.778 -8.185 81 HB2 TYR 9 2HB TYR 9 0.994 -0.254 -5.270 82 HB3 TYR 9 3HB TYR 9 1.429 -1.755 -6.094 83 HD1 TYR 9 HD1 TYR 9 2.741 -0.346 -8.591 84 HD2 TYR 9 HD2 TYR 9 3.158 0.085 -4.299 85 HE1 TYR 9 HE1 TYR 9 5.067 0.431 -8.891 86 HE2 TYR 9 HE2 TYR 9 5.493 0.626 -4.596 87 HH TYR 9 HH TYR 9 7.014 0.991 -7.875 88 H ARG 10 H ARG 10 -1.539 0.281 -5.560 89 HA ARG 10 HA ARG 10 -3.006 -2.076 -5.530 90 HB2 ARG 10 2HB ARG 10 -3.565 -0.516 -3.922 91 HB3 ARG 10 3HB ARG 10 -3.693 0.824 -5.045 92 HG2 ARG 10 2HG ARG 10 -5.851 -0.268 -5.832 93 HG3 ARG 10 3HG ARG 10 -5.579 -1.346 -4.435 94 HD2 ARG 10 2HD ARG 10 -6.961 0.306 -3.616 95 HD3 ARG 10 3HD ARG 10 -5.390 0.688 -2.990 96 HE ARG 10 HE ARG 10 -5.739 2.744 -3.742 97 HH11 ARG 10 1HH1 ARG 10 -7.268 0.843 -6.326 98 HH12 ARG 10 2HH1 ARG 10 -7.921 2.290 -7.029 99 HH21 ARG 10 1HH2 ARG 10 -6.582 4.427 -4.679 100 HH22 ARG 10 2HH2 ARG 10 -7.506 4.269 -6.160 101 H LYS 11 H LYS 11 -3.602 0.829 -7.630 102 HA LYS 11 HA LYS 11 -5.735 -0.380 -9.049 103 HB2 LYS 11 2HB LYS 11 -5.233 1.105 -10.966 104 HB3 LYS 11 3HB LYS 11 -5.570 1.886 -9.407 105 HG2 LYS 11 2HG LYS 11 -3.440 2.766 -9.484 106 HG3 LYS 11 3HG LYS 11 -2.767 1.346 -10.043 107 HD2 LYS 11 2HD LYS 11 -2.407 2.748 -11.827 108 HD3 LYS 11 3HD LYS 11 -3.566 1.596 -12.322 109 HE2 LYS 11 2HE LYS 11 -4.288 3.714 -13.199 110 HE3 LYS 11 3HE LYS 11 -5.413 3.285 -11.911 111 HZ1 LYS 11 1HZ LYS 11 -4.204 4.819 -10.443 112 HZ2 LYS 11 2HZ LYS 11 -4.707 5.611 -11.776 113 HZ3 LYS 11 3HZ LYS 11 -3.141 5.187 -11.635 114 H GLU 12 H GLU 12 -2.216 -0.344 -9.724 115 HA GLU 12 HA GLU 12 -2.453 -1.546 -12.249 116 HB2 GLU 12 2HB GLU 12 -0.751 -0.073 -11.640 117 HB3 GLU 12 3HB GLU 12 -0.153 -1.127 -10.390 118 HG2 GLU 12 2HG GLU 12 -0.207 -1.799 -13.308 119 HG3 GLU 12 3HG GLU 12 1.144 -0.922 -12.558 120 H LYS 13 H LYS 13 -2.163 -2.926 -9.017 121 HA LYS 13 HA LYS 13 -1.843 -5.731 -9.715 122 HB2 LYS 13 2HB LYS 13 -2.739 -4.398 -7.139 123 HB3 LYS 13 3HB LYS 13 -2.519 -6.082 -7.361 124 HG2 LYS 13 2HG LYS 13 -0.175 -4.333 -7.993 125 HG3 LYS 13 3HG LYS 13 -0.588 -4.647 -6.339 126 HD2 LYS 13 2HD LYS 13 1.209 -6.095 -7.429 127 HD3 LYS 13 3HD LYS 13 -0.039 -6.885 -6.440 128 HE2 LYS 13 2HE LYS 13 -1.285 -7.529 -8.477 129 HE3 LYS 13 3HE LYS 13 -0.035 -6.779 -9.481 130 HZ1 LYS 13 1HZ LYS 13 0.380 -9.064 -7.612 131 HZ2 LYS 13 2HZ LYS 13 1.561 -8.403 -8.523 132 HZ3 LYS 13 3HZ LYS 13 0.314 -9.182 -9.240 133 H GLY 14 H GLY 14 -4.597 -3.649 -9.694 134 HA2 GLY 14 2HA GLY 14 -6.789 -4.390 -10.456 135 HA3 GLY 14 3HA GLY 14 -6.388 -6.063 -10.064 136 H TYR 15 H TYR 15 -5.643 -3.555 -7.842 137 HA TYR 15 HA TYR 15 -7.688 -4.545 -5.928 138 HB2 TYR 15 2HB TYR 15 -5.080 -3.042 -5.574 139 HB3 TYR 15 3HB TYR 15 -6.043 -3.631 -4.278 140 HD1 TYR 15 HD1 TYR 15 -3.143 -4.053 -4.555 141 HD2 TYR 15 HD2 TYR 15 -6.404 -6.353 -6.188 142 HE1 TYR 15 HE1 TYR 15 -1.742 -6.139 -4.422 143 HE2 TYR 15 HE2 TYR 15 -4.932 -8.380 -6.240 144 HH TYR 15 HH TYR 15 -1.624 -8.365 -4.855 145 H SER 16 H SER 16 -8.207 -3.062 -4.308 146 HA SER 16 HA SER 16 -8.748 -0.279 -4.968 147 HB2 SER 16 2HB SER 16 -11.030 -0.395 -4.248 148 HB3 SER 16 3HB SER 16 -10.876 -1.636 -5.575 149 HG SER 16 HG SER 16 -11.010 -3.189 -4.064 150 H LEU 17 H LEU 17 -9.880 0.598 -2.806 151 HA LEU 17 HA LEU 17 -7.702 0.372 -0.999 152 HB2 LEU 17 2HB LEU 17 -10.374 1.738 -0.424 153 HB3 LEU 17 3HB LEU 17 -8.901 1.878 0.377 154 HG LEU 17 HG LEU 17 -7.924 2.553 -2.047 155 HD11 LEU 17 1HD1 LEU 17 -10.882 3.216 -2.083 156 HD12 LEU 17 2HD1 LEU 17 -10.047 2.117 -3.198 157 HD13 LEU 17 3HD1 LEU 17 -9.664 3.837 -3.252 158 HD21 LEU 17 1HD2 LEU 17 -7.781 3.985 -0.229 159 HD22 LEU 17 2HD2 LEU 17 -9.552 4.226 -0.108 160 HD23 LEU 17 3HD2 LEU 17 -8.611 4.938 -1.463 161 H SER 18 H SER 18 -10.695 -1.265 -1.248 162 HA SER 18 HA SER 18 -10.545 -2.407 1.529 163 HB2 SER 18 2HB SER 18 -12.680 -1.685 1.036 164 HB3 SER 18 3HB SER 18 -12.600 -2.251 -0.623 165 HG SER 18 HG SER 18 -13.926 -3.583 0.793 166 H GLU 19 H GLU 19 -10.500 -3.553 -1.883 167 HA GLU 19 HA GLU 19 -9.814 -6.301 -1.459 168 HB2 GLU 19 3HB GLU 19 -9.157 -4.292 -3.601 169 HB3 GLU 19 2HB GLU 19 -8.358 -5.786 -3.647 170 HG2 GLU 19 2HG GLU 19 -10.506 -5.402 -4.994 171 HG3 GLU 19 3HG GLU 19 -10.194 -6.986 -4.250 172 H LEU 20 H LEU 20 -7.635 -3.494 -1.946 173 HA LEU 20 HA LEU 20 -5.286 -4.950 -1.671 174 HB2 LEU 20 2HB LEU 20 -5.742 -2.548 -2.570 175 HB3 LEU 20 3HB LEU 20 -5.669 -1.969 -0.983 176 HG LEU 20 HG LEU 20 -3.778 -2.520 -3.099 177 HD11 LEU 20 1HD1 LEU 20 -3.203 -1.440 -0.373 178 HD12 LEU 20 2HD1 LEU 20 -3.984 -0.516 -1.707 179 HD13 LEU 20 3HD1 LEU 20 -2.313 -1.127 -1.888 180 HD21 LEU 20 1HD2 LEU 20 -3.365 -4.630 -2.135 181 HD22 LEU 20 2HD2 LEU 20 -3.002 -3.878 -0.552 182 HD23 LEU 20 3HD2 LEU 20 -1.965 -3.580 -1.970 183 H ALA 21 H ALA 21 -7.161 -3.086 0.764 184 HA ALA 21 HA ALA 21 -5.515 -3.672 2.940 185 HB1 ALA 21 1HB ALA 21 -7.376 -2.080 2.984 186 HB2 ALA 21 2HB ALA 21 -8.539 -3.421 2.995 187 HB3 ALA 21 3HB ALA 21 -7.409 -3.213 4.355 188 H GLU 22 H GLU 22 -8.163 -5.741 1.734 189 HA GLU 22 HA GLU 22 -7.873 -7.657 3.927 190 HB2 GLU 22 2HB GLU 22 -9.274 -9.161 2.713 191 HB3 GLU 22 3HB GLU 22 -10.008 -7.542 2.720 192 HG2 GLU 22 2HG GLU 22 -9.779 -7.273 0.454 193 HG3 GLU 22 3HG GLU 22 -8.428 -8.388 0.429 194 H LYS 23 H LYS 23 -6.352 -7.272 0.800 195 HA LYS 23 HA LYS 23 -5.119 -9.937 0.719 196 HB2 LYS 23 2HB LYS 23 -4.616 -7.345 -0.802 197 HB3 LYS 23 3HB LYS 23 -3.834 -8.897 -1.185 198 HG2 LYS 23 2HG LYS 23 -5.958 -9.923 -1.716 199 HG3 LYS 23 3HG LYS 23 -6.826 -8.555 -1.145 200 HD2 LYS 23 2HD LYS 23 -5.569 -7.151 -3.063 201 HD3 LYS 23 3HD LYS 23 -5.313 -8.735 -3.762 202 HE2 LYS 23 2HE LYS 23 -8.026 -7.714 -2.871 203 HE3 LYS 23 3HE LYS 23 -7.439 -7.707 -4.535 204 HZ1 LYS 23 1HZ LYS 23 -7.306 -10.175 -4.370 205 HZ2 LYS 23 2HZ LYS 23 -8.831 -9.630 -4.162 206 HZ3 LYS 23 3HZ LYS 23 -7.970 -10.113 -2.872 207 H ALA 24 H ALA 24 -3.905 -6.609 1.214 208 HA ALA 24 HA ALA 24 -1.328 -6.989 2.005 209 HB1 ALA 24 1HB ALA 24 -1.817 -4.798 3.315 210 HB2 ALA 24 2HB ALA 24 -2.329 -4.857 1.590 211 HB3 ALA 24 3HB ALA 24 -3.532 -5.086 2.859 212 H GLY 25 H GLY 25 -4.299 -7.213 3.988 213 HA2 GLY 25 2HA GLY 25 -4.526 -8.249 6.127 214 HA3 GLY 25 3HA GLY 25 -2.773 -8.258 6.324 215 H VAL 26 H VAL 26 -4.893 -5.555 5.475 216 HA VAL 26 HA VAL 26 -3.969 -4.024 7.893 217 HB VAL 26 HB VAL 26 -3.466 -2.154 6.649 218 HG11 VAL 26 1HG1 VAL 26 -1.411 -3.019 5.571 219 HG12 VAL 26 2HG1 VAL 26 -1.839 -3.695 7.213 220 HG13 VAL 26 3HG1 VAL 26 -2.053 -4.678 5.738 221 HG21 VAL 26 1HG2 VAL 26 -3.298 -2.215 4.270 222 HG22 VAL 26 2HG2 VAL 26 -4.030 -3.864 4.338 223 HG23 VAL 26 3HG2 VAL 26 -4.976 -2.405 4.848 224 H ALA 27 H ALA 27 -5.203 -1.856 7.622 225 HA ALA 27 HA ALA 27 -8.136 -2.489 7.713 226 HB1 ALA 27 1HB ALA 27 -8.271 -0.307 8.852 227 HB2 ALA 27 2HB ALA 27 -7.031 -1.355 9.601 228 HB3 ALA 27 3HB ALA 27 -6.533 -0.033 8.535 229 H LYS 28 H LYS 28 -9.610 -1.628 6.050 230 HA LYS 28 HA LYS 28 -8.491 -0.418 3.676 231 HB2 LYS 28 2HB LYS 28 -10.850 -1.244 3.659 232 HB3 LYS 28 3HB LYS 28 -11.307 0.044 4.805 233 HG2 LYS 28 2HG LYS 28 -9.968 0.926 2.264 234 HG3 LYS 28 3HG LYS 28 -11.566 0.339 2.169 235 HD2 LYS 28 2HD LYS 28 -12.128 2.038 4.100 236 HD3 LYS 28 3HD LYS 28 -10.665 2.756 3.416 237 HE2 LYS 28 2HE LYS 28 -12.398 3.834 2.282 238 HE3 LYS 28 3HE LYS 28 -11.733 2.669 1.136 239 HZ1 LYS 28 1HZ LYS 28 -14.155 2.599 1.137 240 HZ2 LYS 28 2HZ LYS 28 -14.221 2.322 2.740 241 HZ3 LYS 28 3HZ LYS 28 -13.622 1.179 1.736 242 H SER 29 H SER 29 -9.750 0.956 6.662 243 HA SER 29 HA SER 29 -9.720 3.597 5.908 244 HB2 SER 29 2HB SER 29 -10.701 2.744 8.014 245 HB3 SER 29 3HB SER 29 -9.075 2.432 8.645 246 HG SER 29 HG SER 29 -9.986 4.411 9.412 247 H TYR 30 H TYR 30 -6.983 1.507 6.650 248 HA TYR 30 HA TYR 30 -4.947 3.589 6.770 249 HB2 TYR 30 2HB TYR 30 -4.849 0.586 6.565 250 HB3 TYR 30 3HB TYR 30 -3.791 1.365 5.493 251 HD1 TYR 30 HD1 TYR 30 -4.097 0.511 9.001 252 HD2 TYR 30 HD2 TYR 30 -2.255 3.136 6.138 253 HE1 TYR 30 HE1 TYR 30 -2.233 0.996 10.605 254 HE2 TYR 30 HE2 TYR 30 -0.403 3.554 7.607 255 HH TYR 30 HH TYR 30 0.362 3.323 9.841 256 H LEU 31 H LEU 31 -5.970 1.394 4.061 257 HA LEU 31 HA LEU 31 -4.213 2.769 2.378 258 HB2 LEU 31 3HB LEU 31 -6.656 1.116 1.659 259 HB3 LEU 31 2HB LEU 31 -5.491 1.716 0.467 260 HG LEU 31 HG LEU 31 -5.004 -0.553 0.875 261 HD11 LEU 31 1HD1 LEU 31 -2.855 0.553 0.770 262 HD12 LEU 31 2HD1 LEU 31 -2.768 -0.659 2.073 263 HD13 LEU 31 3HD1 LEU 31 -2.970 1.043 2.484 264 HD21 LEU 31 1HD2 LEU 31 -4.903 -1.628 2.817 265 HD22 LEU 31 2HD2 LEU 31 -6.166 -0.468 3.185 266 HD23 LEU 31 3HD2 LEU 31 -4.518 -0.185 3.816 267 H SER 32 H SER 32 -7.743 3.371 2.912 268 HA SER 32 HA SER 32 -7.918 5.565 1.075 269 HB2 SER 32 2HB SER 32 -9.848 6.313 2.273 270 HB3 SER 32 3HB SER 32 -9.881 4.563 2.054 271 HG SER 32 HG SER 32 -9.571 6.076 4.400 272 H SER 33 H SER 33 -6.865 5.618 4.566 273 HA SER 33 HA SER 33 -6.448 8.481 4.431 274 HB2 SER 33 2HB SER 33 -7.051 7.307 6.474 275 HB3 SER 33 3HB SER 33 -5.505 6.454 6.458 276 HG SER 33 HG SER 33 -5.647 8.425 7.798 277 H ILE 34 H ILE 34 -4.050 5.732 4.043 278 HA ILE 34 HA ILE 34 -1.742 7.162 3.601 279 HB ILE 34 HB ILE 34 -2.900 4.755 2.095 280 HG12 ILE 34 2HG1 ILE 34 -2.409 4.280 4.450 281 HG13 ILE 34 3HG1 ILE 34 -1.425 3.330 3.414 282 HG21 ILE 34 1HG2 ILE 34 -1.386 5.651 0.536 283 HG22 ILE 34 2HG2 ILE 34 -0.221 6.098 1.805 284 HG23 ILE 34 3HG2 ILE 34 -0.479 4.377 1.303 285 HD11 ILE 34 1HD1 ILE 34 -0.404 5.864 4.633 286 HD12 ILE 34 2HD1 ILE 34 -0.182 4.254 5.342 287 HD13 ILE 34 3HD1 ILE 34 0.528 4.640 3.763 288 H GLU 35 H GLU 35 -4.205 6.360 1.161 289 HA GLU 35 HA GLU 35 -3.121 8.027 -0.883 290 HB2 GLU 35 2HB GLU 35 -5.932 6.916 -0.537 291 HB3 GLU 35 3HB GLU 35 -5.343 7.744 -1.991 292 HG2 GLU 35 2HG GLU 35 -3.526 6.098 -2.225 293 HG3 GLU 35 3HG GLU 35 -4.067 5.234 -0.805 294 H ARG 36 H ARG 36 -5.364 8.943 1.737 295 HA ARG 36 HA ARG 36 -5.642 11.698 0.778 296 HB2 ARG 36 2HB ARG 36 -5.922 10.557 3.591 297 HB3 ARG 36 3HB ARG 36 -6.297 12.211 3.126 298 HG2 ARG 36 2HG ARG 36 -7.696 9.892 1.778 299 HG3 ARG 36 3HG ARG 36 -8.248 10.544 3.327 300 HD2 ARG 36 2HD ARG 36 -8.558 12.742 2.389 301 HD3 ARG 36 3HD ARG 36 -7.774 12.273 0.889 302 HE ARG 36 HE ARG 36 -10.538 11.731 1.735 303 HH11 ARG 36 1HH1 ARG 36 -8.095 10.718 -0.569 304 HH12 ARG 36 2HH1 ARG 36 -9.279 10.038 -1.653 305 HH21 ARG 36 1HH2 ARG 36 -11.979 10.841 0.314 306 HH22 ARG 36 2HH2 ARG 36 -11.417 10.106 -1.159 307 H ASN 37 H ASN 37 -3.616 10.472 3.467 308 HA ASN 37 HA ASN 37 -1.394 12.268 2.811 309 HB2 ASN 37 2HB ASN 37 -3.144 13.775 3.844 310 HB3 ASN 37 3HB ASN 37 -3.076 12.796 5.306 311 HD21 ASN 37 1HD2 ASN 37 -2.075 14.103 6.816 312 HD22 ASN 37 2HD2 ASN 37 -0.588 14.987 6.507 313 H LEU 38 H LEU 38 -2.589 9.619 4.790 314 HA LEU 38 HA LEU 38 -1.191 9.713 7.111 315 HB2 LEU 38 2HB LEU 38 -2.964 8.054 6.223 316 HB3 LEU 38 3HB LEU 38 -1.672 7.135 5.601 317 HG LEU 38 HG LEU 38 -2.157 7.625 8.508 318 HD11 LEU 38 1HD1 LEU 38 -2.719 5.286 6.710 319 HD12 LEU 38 2HD1 LEU 38 -3.858 6.252 7.679 320 HD13 LEU 38 3HD1 LEU 38 -2.732 5.177 8.484 321 HD21 LEU 38 1HD2 LEU 38 0.177 7.136 8.417 322 HD22 LEU 38 2HD2 LEU 38 -0.071 5.892 7.159 323 HD23 LEU 38 3HD2 LEU 38 -0.612 5.641 8.832 324 H GLN 39 H GLN 39 0.114 8.444 4.078 325 HA GLN 39 HA GLN 39 2.395 7.325 5.317 326 HB2 GLN 39 2HB GLN 39 1.228 6.920 3.023 327 HB3 GLN 39 3HB GLN 39 2.304 8.112 2.360 328 HG2 GLN 39 2HG GLN 39 3.095 5.536 3.817 329 HG3 GLN 39 3HG GLN 39 2.962 5.680 2.073 330 HE21 GLN 39 1HE2 GLN 39 5.224 5.411 4.335 331 HE22 GLN 39 2HE2 GLN 39 6.471 6.437 3.648 332 H THR 40 H THR 40 1.863 10.571 4.969 333 HA THR 40 HA THR 40 4.435 11.748 5.112 334 HB THR 40 HB THR 40 2.238 12.897 5.242 335 HG1 THR 40 HG1 THR 40 3.999 14.040 5.970 336 HG21 THR 40 1HG2 THR 40 0.911 12.936 7.229 337 HG22 THR 40 2HG2 THR 40 2.125 12.036 8.167 338 HG23 THR 40 3HG2 THR 40 1.208 11.227 6.889 339 H ASN 41 H ASN 41 2.888 9.501 7.380 340 HA ASN 41 HA ASN 41 5.312 9.509 9.137 341 HB2 ASN 41 2HB ASN 41 3.477 10.661 10.246 342 HB3 ASN 41 3HB ASN 41 2.379 9.324 9.889 343 HD21 ASN 41 1HD2 ASN 41 3.150 8.311 13.204 344 HD22 ASN 41 2HD2 ASN 41 1.950 9.071 12.169 345 HA PRO 42 HA PRO 42 4.984 5.396 7.173 346 HB2 PRO 42 2HB PRO 42 7.718 5.192 8.457 347 HB3 PRO 42 3HB PRO 42 7.200 4.644 6.838 348 HG2 PRO 42 2HG PRO 42 8.559 6.953 7.085 349 HG3 PRO 42 3HG PRO 42 7.108 6.907 6.027 350 HD2 PRO 42 2HD PRO 42 7.323 7.915 8.879 351 HD3 PRO 42 3HD PRO 42 6.530 8.672 7.464 352 H SER 43 H SER 43 4.191 3.489 7.914 353 HA SER 43 HA SER 43 4.928 2.456 10.649 354 HB2 SER 43 2HB SER 43 2.563 2.925 10.551 355 HB3 SER 43 3HB SER 43 2.423 1.980 9.053 356 HG SER 43 HG SER 43 1.922 0.873 11.121 357 H ILE 44 H ILE 44 6.709 1.309 10.233 358 HA ILE 44 HA ILE 44 7.282 0.194 7.696 359 HB ILE 44 HB ILE 44 8.536 -0.529 10.362 360 HG12 ILE 44 2HG1 ILE 44 10.456 0.859 9.412 361 HG13 ILE 44 3HG1 ILE 44 9.366 1.436 8.158 362 HG21 ILE 44 1HG2 ILE 44 8.978 -2.314 8.752 363 HG22 ILE 44 2HG2 ILE 44 9.405 -1.138 7.490 364 HG23 ILE 44 3HG2 ILE 44 10.434 -1.349 8.926 365 HD11 ILE 44 1HD1 ILE 44 9.780 2.990 10.108 366 HD12 ILE 44 2HD1 ILE 44 8.073 2.679 9.805 367 HD13 ILE 44 3HD1 ILE 44 8.906 1.850 11.150 368 H GLN 45 H GLN 45 5.804 -1.359 10.557 369 HA GLN 45 HA GLN 45 5.706 -4.011 9.603 370 HB2 GLN 45 2HB GLN 45 3.767 -2.519 11.421 371 HB3 GLN 45 3HB GLN 45 3.766 -4.254 11.134 372 HG2 GLN 45 2HG GLN 45 4.909 -4.055 13.143 373 HG3 GLN 45 3HG GLN 45 6.182 -4.317 11.963 374 HE21 GLN 45 1HE2 GLN 45 7.347 -3.432 14.047 375 HE22 GLN 45 2HE2 GLN 45 7.559 -1.685 14.081 376 H PHE 46 H PHE 46 3.329 -1.410 9.179 377 HA PHE 46 HA PHE 46 1.332 -2.910 7.563 378 HB2 PHE 46 2HB PHE 46 0.506 -0.945 8.647 379 HB3 PHE 46 3HB PHE 46 1.931 -0.008 8.239 380 HD1 PHE 46 HD1 PHE 46 -1.334 -1.090 7.040 381 HD2 PHE 46 HD2 PHE 46 2.327 0.904 5.971 382 HE1 PHE 46 HE1 PHE 46 -2.343 -0.418 4.885 383 HE2 PHE 46 HE2 PHE 46 1.384 1.497 3.748 384 HZ PHE 46 HZ PHE 46 -0.997 0.981 3.278 385 H LEU 47 H LEU 47 4.177 -0.969 6.910 386 HA LEU 47 HA LEU 47 3.745 -0.932 4.023 387 HB2 LEU 47 2HB LEU 47 6.217 -0.496 5.776 388 HB3 LEU 47 3HB LEU 47 6.321 -0.449 4.036 389 HG LEU 47 HG LEU 47 4.534 1.483 5.583 390 HD11 LEU 47 1HD1 LEU 47 7.468 1.828 4.813 391 HD12 LEU 47 2HD1 LEU 47 6.806 1.770 6.473 392 HD13 LEU 47 3HD1 LEU 47 6.398 3.110 5.403 393 HD21 LEU 47 1HD2 LEU 47 5.929 1.555 2.887 394 HD22 LEU 47 2HD2 LEU 47 5.059 2.935 3.577 395 HD23 LEU 47 3HD2 LEU 47 4.162 1.459 3.196 396 H GLU 48 H GLU 48 5.608 -3.086 6.215 397 HA GLU 48 HA GLU 48 6.554 -4.869 4.287 398 HB2 GLU 48 2HB GLU 48 5.395 -6.042 6.819 399 HB3 GLU 48 3HB GLU 48 6.744 -6.565 5.837 400 HG2 GLU 48 2HG GLU 48 7.810 -4.256 6.690 401 HG3 GLU 48 3HG GLU 48 6.604 -4.449 7.930 402 H LYS 49 H LYS 49 3.430 -4.968 6.029 403 HA LYS 49 HA LYS 49 2.148 -7.146 4.841 404 HB2 LYS 49 2HB LYS 49 0.946 -4.469 5.696 405 HB3 LYS 49 3HB LYS 49 0.027 -5.830 5.501 406 HG2 LYS 49 2HG LYS 49 2.129 -6.620 7.298 407 HG3 LYS 49 3HG LYS 49 1.704 -4.952 7.682 408 HD2 LYS 49 2HD LYS 49 0.366 -6.274 9.105 409 HD3 LYS 49 3HD LYS 49 -0.703 -5.647 7.854 410 HE2 LYS 49 2HE LYS 49 -1.253 -7.957 8.316 411 HE3 LYS 49 3HE LYS 49 -0.624 -7.833 6.675 412 HZ1 LYS 49 1HZ LYS 49 0.954 -8.738 9.036 413 HZ2 LYS 49 2HZ LYS 49 1.504 -8.700 7.494 414 HZ3 LYS 49 3HZ LYS 49 0.313 -9.730 7.912 415 H VAL 50 H VAL 50 1.570 -3.823 3.719 416 HA VAL 50 HA VAL 50 0.164 -4.898 1.281 417 HB VAL 50 HB VAL 50 -1.037 -3.168 2.149 418 HG11 VAL 50 1HG1 VAL 50 0.089 -0.927 2.481 419 HG12 VAL 50 2HG1 VAL 50 0.159 -2.251 3.679 420 HG13 VAL 50 3HG1 VAL 50 1.592 -1.913 2.628 421 HG21 VAL 50 1HG2 VAL 50 -1.155 -1.503 0.508 422 HG22 VAL 50 2HG2 VAL 50 0.519 -1.744 0.030 423 HG23 VAL 50 3HG2 VAL 50 -0.690 -3.035 -0.283 424 H SER 51 H SER 51 3.329 -3.294 1.870 425 HA SER 51 HA SER 51 3.985 -3.039 -0.961 426 HB2 SER 51 2HB SER 51 6.242 -2.928 -0.391 427 HB3 SER 51 3HB SER 51 5.428 -2.135 0.938 428 HG SER 51 HG SER 51 5.762 -3.841 2.198 429 H ALA 52 H ALA 52 4.266 -5.678 1.384 430 HA ALA 52 HA ALA 52 5.462 -7.627 -0.368 431 HB1 ALA 52 1HB ALA 52 3.616 -7.943 2.035 432 HB2 ALA 52 2HB ALA 52 4.427 -9.307 1.226 433 HB3 ALA 52 3HB ALA 52 5.387 -8.040 2.009 434 H VAL 53 H VAL 53 2.040 -6.844 0.284 435 HA VAL 53 HA VAL 53 1.050 -8.683 -1.707 436 HB VAL 53 HB VAL 53 0.027 -7.249 0.401 437 HG11 VAL 53 1HG1 VAL 53 -1.532 -6.241 -2.015 438 HG12 VAL 53 2HG1 VAL 53 -1.984 -6.103 -0.322 439 HG13 VAL 53 3HG1 VAL 53 -0.574 -5.227 -0.880 440 HG21 VAL 53 1HG2 VAL 53 -1.798 -8.441 0.110 441 HG22 VAL 53 2HG2 VAL 53 -1.659 -8.571 -1.698 442 HG23 VAL 53 3HG2 VAL 53 -0.581 -9.487 -0.581 443 H LEU 54 H LEU 54 1.961 -5.302 -2.012 444 HA LEU 54 HA LEU 54 0.906 -5.031 -4.698 445 HB2 LEU 54 2HB LEU 54 2.716 -3.238 -2.985 446 HB3 LEU 54 3HB LEU 54 2.192 -2.835 -4.565 447 HG LEU 54 HG LEU 54 0.352 -3.407 -2.264 448 HD11 LEU 54 1HD1 LEU 54 1.379 -0.799 -3.376 449 HD12 LEU 54 2HD1 LEU 54 1.610 -1.480 -1.808 450 HD13 LEU 54 3HD1 LEU 54 -0.015 -0.931 -2.274 451 HD21 LEU 54 1HD2 LEU 54 -1.425 -2.169 -3.906 452 HD22 LEU 54 2HD2 LEU 54 -1.036 -3.848 -4.205 453 HD23 LEU 54 3HD2 LEU 54 -0.265 -2.604 -5.152 454 H ASP 55 H ASP 55 3.423 -6.893 -3.864 455 HA ASP 55 HA ASP 55 5.217 -7.755 -4.944 456 HB2 ASP 55 2HB ASP 55 4.162 -6.290 -7.362 457 HB3 ASP 55 3HB ASP 55 5.618 -7.194 -7.405 458 H VAL 56 H VAL 56 5.402 -5.534 -3.351 459 HA VAL 56 HA VAL 56 7.603 -3.825 -4.452 460 HB VAL 56 HB VAL 56 4.762 -3.457 -3.606 461 HG11 VAL 56 1HG1 VAL 56 5.823 -1.847 -2.083 462 HG12 VAL 56 2HG1 VAL 56 6.509 -1.046 -3.518 463 HG13 VAL 56 3HG1 VAL 56 4.726 -1.249 -3.310 464 HG21 VAL 56 1HG2 VAL 56 6.480 -2.146 -5.709 465 HG22 VAL 56 2HG2 VAL 56 5.602 -3.694 -5.950 466 HG23 VAL 56 3HG2 VAL 56 4.680 -2.233 -5.620 467 H SER 57 H SER 57 8.565 -2.336 -2.640 468 HA SER 57 HA SER 57 9.192 -4.258 -0.478 469 HB2 SER 57 2HB SER 57 11.170 -2.725 -2.167 470 HB3 SER 57 3HB SER 57 11.529 -4.026 -1.020 471 HG SER 57 HG SER 57 11.498 -4.805 -3.162 472 H VAL 58 H VAL 58 7.709 -2.263 0.492 473 HA VAL 58 HA VAL 58 7.538 -0.991 2.311 474 HB VAL 58 HB VAL 58 10.259 -2.185 3.068 475 HG11 VAL 58 1HG1 VAL 58 8.178 -1.237 5.048 476 HG12 VAL 58 2HG1 VAL 58 9.792 -1.801 5.374 477 HG13 VAL 58 3HG1 VAL 58 9.581 -0.230 4.587 478 HG21 VAL 58 1HG2 VAL 58 7.442 -3.003 3.781 479 HG22 VAL 58 2HG2 VAL 58 8.516 -3.902 2.666 480 HG23 VAL 58 3HG2 VAL 58 8.909 -3.791 4.388 481 H HIS 59 H HIS 59 10.976 -0.507 1.332 482 HA HIS 59 HA HIS 59 11.002 2.353 1.917 483 HB2 HIS 59 2HB HIS 59 12.676 2.220 -0.189 484 HB3 HIS 59 3HB HIS 59 13.098 1.882 1.438 485 HD1 HIS 59 HD1 HIS 59 14.524 -0.183 1.719 486 HD2 HIS 59 HD2 HIS 59 12.064 -0.251 -1.698 487 HE1 HIS 59 HE1 HIS 59 15.108 -2.334 0.444 488 H THR 60 H THR 60 10.219 0.365 -0.866 489 HA THR 60 HA THR 60 10.127 2.249 -2.910 490 HB THR 60 HB THR 60 8.083 0.048 -2.450 491 HG1 THR 60 HG1 THR 60 10.503 -0.282 -3.828 492 HG21 THR 60 1HG2 THR 60 9.207 1.444 -4.848 493 HG22 THR 60 2HG2 THR 60 7.524 1.404 -4.273 494 HG23 THR 60 3HG2 THR 60 8.225 -0.081 -4.963 495 H LEU 61 H LEU 61 7.471 1.534 -0.640 496 HA LEU 61 HA LEU 61 5.535 3.282 -1.795 497 HB2 LEU 61 2HB LEU 61 5.930 2.315 0.989 498 HB3 LEU 61 3HB LEU 61 4.407 2.869 0.338 499 HG LEU 61 HG LEU 61 5.922 0.324 -0.598 500 HD11 LEU 61 1HD1 LEU 61 5.135 -0.076 1.476 501 HD12 LEU 61 2HD1 LEU 61 3.879 -0.757 0.409 502 HD13 LEU 61 3HD1 LEU 61 3.561 0.768 1.260 503 HD21 LEU 61 1HD2 LEU 61 3.686 0.017 -1.832 504 HD22 LEU 61 2HD2 LEU 61 4.780 1.262 -2.488 505 HD23 LEU 61 3HD2 LEU 61 3.397 1.746 -1.530 506 H LEU 62 H LEU 62 7.985 3.878 0.763 507 HA LEU 62 HA LEU 62 7.084 6.665 1.061 508 HB2 LEU 62 2HB LEU 62 8.322 6.719 3.007 509 HB3 LEU 62 3HB LEU 62 7.808 5.062 2.911 510 HG LEU 62 HG LEU 62 10.268 4.872 1.679 511 HD11 LEU 62 1HD1 LEU 62 11.901 6.051 3.059 512 HD12 LEU 62 2HD1 LEU 62 10.591 7.025 3.770 513 HD13 LEU 62 3HD1 LEU 62 10.978 7.131 2.023 514 HD21 LEU 62 1HD2 LEU 62 9.618 4.636 4.609 515 HD22 LEU 62 2HD2 LEU 62 10.997 3.881 3.767 516 HD23 LEU 62 3HD2 LEU 62 9.333 3.436 3.310 517 H ASP 63 H ASP 63 9.532 4.960 -0.651 518 HA ASP 63 HA ASP 63 11.357 7.256 -0.848 519 HB2 ASP 63 2HB ASP 63 12.172 5.371 0.285 520 HB3 ASP 63 3HB ASP 63 11.766 4.282 -1.081 521 H GLU 64 H GLU 64 12.865 7.076 -2.609 522 HA GLU 64 HA GLU 64 11.512 7.377 -5.268 523 HB2 GLU 64 2HB GLU 64 12.934 9.428 -5.424 524 HB3 GLU 64 3HB GLU 64 11.786 9.452 -4.083 525 HG2 GLU 64 2HG GLU 64 13.577 8.844 -2.478 526 HG3 GLU 64 3HG GLU 64 14.736 8.712 -3.816 527 H LYS 65 H LYS 65 13.725 5.470 -3.911 528 HA LYS 65 HA LYS 65 15.454 5.038 -6.301 529 HB2 LYS 65 2HB LYS 65 17.492 5.093 -4.840 530 HB3 LYS 65 3HB LYS 65 16.672 6.663 -4.928 531 HG2 LYS 65 2HG LYS 65 15.469 6.084 -2.864 532 HG3 LYS 65 3HG LYS 65 16.451 4.626 -2.666 533 HD2 LYS 65 2HD LYS 65 17.415 7.508 -2.544 534 HD3 LYS 65 3HD LYS 65 16.776 6.548 -1.179 535 HE2 LYS 65 2HE LYS 65 18.581 4.820 -1.683 536 HE3 LYS 65 3HE LYS 65 19.265 5.935 -2.875 537 HZ1 LYS 65 1HZ LYS 65 19.570 7.543 -1.036 538 HZ2 LYS 65 2HZ LYS 65 20.372 6.153 -0.724 539 HZ3 LYS 65 3HZ LYS 65 18.961 6.462 0.043 540 H HIS 66 H HIS 66 14.048 3.768 -3.322 541 HA HIS 66 HA HIS 66 13.521 1.805 -2.606 542 HB2 HIS 66 2HB HIS 66 12.787 0.042 -4.130 543 HB3 HIS 66 3HB HIS 66 12.176 1.627 -4.532 544 HD1 HIS 66 HD1 HIS 66 12.285 2.198 -7.039 545 HD2 HIS 66 HD2 HIS 66 15.166 -0.615 -5.810 546 HE1 HIS 66 HE1 HIS 66 13.505 1.455 -9.148 547 H GLU 67 H GLU 67 16.171 2.464 -2.347 548 HA GLU 67 HA GLU 67 17.392 -0.160 -1.810 549 HB2 GLU 67 2HB GLU 67 18.668 1.968 -3.580 550 HB3 GLU 67 3HB GLU 67 19.591 0.705 -2.785 551 HG2 GLU 67 2HG GLU 67 17.454 0.276 -4.902 552 HG3 GLU 67 3HG GLU 67 19.190 0.203 -5.131 553 H THR 68 H THR 68 18.777 -0.110 -0.090 554 HA THR 68 HA THR 68 19.706 0.467 1.831 555 HB THR 68 HB THR 68 20.228 3.142 0.512 556 HG1 THR 68 HG1 THR 68 21.046 1.333 -0.584 557 HG21 THR 68 1HG2 THR 68 21.605 1.859 2.904 558 HG22 THR 68 2HG2 THR 68 20.725 3.407 2.875 559 HG23 THR 68 3HG2 THR 68 22.238 3.242 1.980 560 H GLU 69 H GLU 69 17.217 2.566 0.993 561 HA GLU 69 HA GLU 69 16.657 3.651 3.657 562 HB2 GLU 69 2HB GLU 69 14.772 3.467 1.272 563 HB3 GLU 69 3HB GLU 69 14.548 4.451 2.705 564 HG2 GLU 69 2HG GLU 69 16.474 4.819 0.428 565 HG3 GLU 69 3HG GLU 69 15.267 5.933 1.057 Start of MODEL 10 1 H1 MET 1 1H MET 1 9.345 10.647 1.836 2 H2 MET 1 2H MET 1 8.888 11.583 0.561 3 H3 MET 1 3H MET 1 9.209 9.984 0.349 4 HA MET 1 HA MET 1 7.336 9.305 1.605 5 HB2 MET 1 2HB MET 1 6.703 12.265 1.931 6 HB3 MET 1 3HB MET 1 5.727 10.905 2.485 7 HG2 MET 1 2HG MET 1 8.490 11.686 3.485 8 HG3 MET 1 3HG MET 1 6.974 11.880 4.341 9 HE1 MET 1 1HE MET 1 9.184 9.154 6.271 10 HE2 MET 1 2HE MET 1 9.798 10.483 5.271 11 HE3 MET 1 3HE MET 1 8.449 10.768 6.393 12 H ILE 2 H ILE 2 5.645 8.651 0.323 13 HA ILE 2 HA ILE 2 5.057 10.186 -2.179 14 HB ILE 2 HB ILE 2 5.803 7.279 -2.214 15 HG12 ILE 2 2HG1 ILE 2 7.800 8.707 -2.018 16 HG13 ILE 2 3HG1 ILE 2 7.698 7.736 -3.470 17 HG21 ILE 2 1HG2 ILE 2 5.587 7.613 -4.709 18 HG22 ILE 2 2HG2 ILE 2 4.061 7.621 -3.815 19 HG23 ILE 2 3HG2 ILE 2 4.787 9.149 -4.364 20 HD11 ILE 2 1HD1 ILE 2 6.939 10.668 -3.377 21 HD12 ILE 2 2HD1 ILE 2 8.537 10.046 -3.859 22 HD13 ILE 2 3HD1 ILE 2 7.098 9.636 -4.814 23 H GLY 3 H GLY 3 3.993 7.074 -0.665 24 HA2 GLY 3 2HA GLY 3 1.905 6.402 0.084 25 HA3 GLY 3 3HA GLY 3 1.318 8.056 -0.051 26 H GLN 4 H GLN 4 1.453 8.638 -2.736 27 HA GLN 4 HA GLN 4 -0.645 7.188 -3.958 28 HB2 GLN 4 2HB GLN 4 -0.113 8.446 -5.893 29 HB3 GLN 4 3HB GLN 4 0.041 9.507 -4.504 30 HG2 GLN 4 2HG GLN 4 2.471 9.395 -4.620 31 HG3 GLN 4 3HG GLN 4 2.416 8.141 -5.868 32 HE21 GLN 4 1HE2 GLN 4 3.928 9.875 -6.880 33 HE22 GLN 4 2HE2 GLN 4 3.114 11.088 -7.857 34 H ARG 5 H ARG 5 2.514 6.119 -3.373 35 HA ARG 5 HA ARG 5 2.854 4.252 -5.558 36 HB2 ARG 5 2HB ARG 5 4.200 4.895 -3.041 37 HB3 ARG 5 3HB ARG 5 3.714 3.263 -2.907 38 HG2 ARG 5 2HG ARG 5 5.823 3.012 -3.869 39 HG3 ARG 5 3HG ARG 5 4.769 2.901 -5.223 40 HD2 ARG 5 2HD ARG 5 5.045 5.538 -5.243 41 HD3 ARG 5 3HD ARG 5 6.523 5.205 -4.362 42 HE ARG 5 HE ARG 5 5.834 4.336 -7.145 43 HH11 ARG 5 1HH1 ARG 5 8.345 4.423 -4.658 44 HH12 ARG 5 2HH1 ARG 5 9.612 4.198 -5.829 45 HH21 ARG 5 1HH2 ARG 5 7.512 3.947 -8.535 46 HH22 ARG 5 2HH2 ARG 5 9.145 3.838 -7.949 47 H ILE 6 H ILE 6 1.232 3.967 -2.274 48 HA ILE 6 HA ILE 6 0.314 1.315 -2.745 49 HB ILE 6 HB ILE 6 -0.532 3.533 -0.872 50 HG12 ILE 6 2HG1 ILE 6 -0.792 1.836 0.756 51 HG13 ILE 6 3HG1 ILE 6 -0.682 0.550 -0.457 52 HG21 ILE 6 1HG2 ILE 6 -2.742 3.266 -1.885 53 HG22 ILE 6 2HG2 ILE 6 -2.612 1.500 -1.792 54 HG23 ILE 6 3HG2 ILE 6 -2.743 2.509 -0.315 55 HD11 ILE 6 1HD1 ILE 6 1.377 1.167 1.009 56 HD12 ILE 6 2HD1 ILE 6 1.576 0.828 -0.721 57 HD13 ILE 6 3HD1 ILE 6 1.582 2.523 -0.147 58 H LYS 7 H LYS 7 -1.152 4.518 -3.662 59 HA LYS 7 HA LYS 7 -3.431 3.377 -4.961 60 HB2 LYS 7 2HB LYS 7 -3.380 5.737 -4.539 61 HB3 LYS 7 3HB LYS 7 -1.914 5.981 -5.473 62 HG2 LYS 7 2HG LYS 7 -3.044 5.528 -7.559 63 HG3 LYS 7 3HG LYS 7 -4.509 5.049 -6.716 64 HD2 LYS 7 2HD LYS 7 -3.255 7.839 -6.704 65 HD3 LYS 7 3HD LYS 7 -4.600 7.332 -7.733 66 HE2 LYS 7 2HE LYS 7 -5.973 6.865 -5.702 67 HE3 LYS 7 3HE LYS 7 -4.647 7.426 -4.684 68 HZ1 LYS 7 1HZ LYS 7 -6.268 9.187 -5.072 69 HZ2 LYS 7 2HZ LYS 7 -6.071 9.096 -6.689 70 HZ3 LYS 7 3HZ LYS 7 -4.843 9.617 -5.745 71 H GLN 8 H GLN 8 -0.456 4.383 -6.540 72 HA GLN 8 HA GLN 8 -0.718 3.547 -9.152 73 HB2 GLN 8 2HB GLN 8 1.320 4.709 -8.063 74 HB3 GLN 8 3HB GLN 8 1.699 3.225 -7.249 75 HG2 GLN 8 2HG GLN 8 2.192 2.105 -9.387 76 HG3 GLN 8 3HG GLN 8 1.705 3.583 -10.213 77 HE21 GLN 8 1HE2 GLN 8 3.884 3.444 -11.218 78 HE22 GLN 8 2HE2 GLN 8 5.236 4.114 -10.322 79 H TYR 9 H TYR 9 0.643 1.525 -6.543 80 HA TYR 9 HA TYR 9 0.694 -0.866 -8.204 81 HB2 TYR 9 2HB TYR 9 0.985 -0.327 -5.295 82 HB3 TYR 9 3HB TYR 9 1.408 -1.835 -6.113 83 HD1 TYR 9 HD1 TYR 9 3.135 0.043 -4.335 84 HD2 TYR 9 HD2 TYR 9 2.742 -0.496 -8.613 85 HE1 TYR 9 HE1 TYR 9 5.483 0.579 -4.638 86 HE2 TYR 9 HE2 TYR 9 5.077 0.254 -8.923 87 HH TYR 9 HH TYR 9 7.030 0.820 -7.903 88 H ARG 10 H ARG 10 -1.548 0.235 -5.580 89 HA ARG 10 HA ARG 10 -3.029 -2.110 -5.500 90 HB2 ARG 10 2HB ARG 10 -3.590 -0.513 -3.924 91 HB3 ARG 10 3HB ARG 10 -3.700 0.804 -5.084 92 HG2 ARG 10 2HG ARG 10 -5.869 -0.278 -5.824 93 HG3 ARG 10 3HG ARG 10 -5.591 -1.336 -4.408 94 HD2 ARG 10 2HD ARG 10 -6.938 0.354 -3.594 95 HD3 ARG 10 3HD ARG 10 -5.351 0.728 -3.005 96 HE ARG 10 HE ARG 10 -5.707 2.773 -3.787 97 HH11 ARG 10 1HH1 ARG 10 -7.264 0.830 -6.319 98 HH12 ARG 10 2HH1 ARG 10 -7.934 2.263 -7.035 99 HH21 ARG 10 1HH2 ARG 10 -6.560 4.438 -4.740 100 HH22 ARG 10 2HH2 ARG 10 -7.512 4.258 -6.202 101 H LYS 11 H LYS 11 -3.647 0.768 -7.625 102 HA LYS 11 HA LYS 11 -5.772 -0.455 -9.030 103 HB2 LYS 11 2HB LYS 11 -5.256 1.006 -10.969 104 HB3 LYS 11 3HB LYS 11 -5.605 1.804 -9.422 105 HG2 LYS 11 2HG LYS 11 -3.473 2.674 -9.477 106 HG3 LYS 11 3HG LYS 11 -2.798 1.245 -10.023 107 HD2 LYS 11 2HD LYS 11 -2.412 2.645 -11.783 108 HD3 LYS 11 3HD LYS 11 -3.592 1.517 -12.324 109 HE2 LYS 11 2HE LYS 11 -5.414 3.189 -11.911 110 HE3 LYS 11 3HE LYS 11 -4.226 4.333 -11.284 111 HZ1 LYS 11 1HZ LYS 11 -3.193 4.369 -13.499 112 HZ2 LYS 11 2HZ LYS 11 -4.764 4.794 -13.612 113 HZ3 LYS 11 3HZ LYS 11 -4.292 3.304 -14.076 114 H GLU 12 H GLU 12 -2.246 -0.426 -9.718 115 HA GLU 12 HA GLU 12 -2.507 -1.653 -12.222 116 HB2 GLU 12 2HB GLU 12 -0.811 -0.155 -11.636 117 HB3 GLU 12 3HB GLU 12 -0.170 -1.212 -10.411 118 HG2 GLU 12 2HG GLU 12 -0.290 -1.868 -13.332 119 HG3 GLU 12 3HG GLU 12 1.059 -0.964 -12.620 120 H LYS 13 H LYS 13 -2.214 -3.002 -8.988 121 HA LYS 13 HA LYS 13 -1.900 -5.814 -9.680 122 HB2 LYS 13 2HB LYS 13 -2.763 -4.450 -7.105 123 HB3 LYS 13 3HB LYS 13 -2.566 -6.138 -7.303 124 HG2 LYS 13 2HG LYS 13 -0.205 -4.394 -7.909 125 HG3 LYS 13 3HG LYS 13 -0.638 -4.756 -6.269 126 HD2 LYS 13 2HD LYS 13 1.170 -6.177 -7.354 127 HD3 LYS 13 3HD LYS 13 -0.108 -7.006 -6.437 128 HE2 LYS 13 2HE LYS 13 -1.295 -7.528 -8.554 129 HE3 LYS 13 3HE LYS 13 0.005 -6.753 -9.467 130 HZ1 LYS 13 1HZ LYS 13 0.283 -9.148 -7.717 131 HZ2 LYS 13 2HZ LYS 13 1.530 -8.456 -8.512 132 HZ3 LYS 13 3HZ LYS 13 0.315 -9.160 -9.349 133 H GLY 14 H GLY 14 -4.620 -3.721 -9.683 134 HA2 GLY 14 2HA GLY 14 -6.816 -4.426 -10.429 135 HA3 GLY 14 3HA GLY 14 -6.444 -6.106 -10.039 136 H TYR 15 H TYR 15 -5.664 -3.589 -7.827 137 HA TYR 15 HA TYR 15 -7.709 -4.544 -5.900 138 HB2 TYR 15 2HB TYR 15 -5.103 -3.047 -5.543 139 HB3 TYR 15 3HB TYR 15 -6.071 -3.630 -4.256 140 HD1 TYR 15 HD1 TYR 15 -3.176 -4.059 -4.498 141 HD2 TYR 15 HD2 TYR 15 -6.406 -6.370 -6.167 142 HE1 TYR 15 HE1 TYR 15 -1.780 -6.136 -4.317 143 HE2 TYR 15 HE2 TYR 15 -4.925 -8.391 -6.189 144 HH TYR 15 HH TYR 15 -1.644 -8.356 -4.737 145 H SER 16 H SER 16 -8.195 -3.029 -4.298 146 HA SER 16 HA SER 16 -8.806 -0.267 -4.963 147 HB2 SER 16 2HB SER 16 -11.088 -0.485 -4.134 148 HB3 SER 16 3HB SER 16 -10.923 -1.682 -5.468 149 HG SER 16 HG SER 16 -11.798 -2.854 -3.858 150 H LEU 17 H LEU 17 -9.860 0.608 -2.763 151 HA LEU 17 HA LEU 17 -7.614 0.395 -1.019 152 HB2 LEU 17 2HB LEU 17 -10.275 1.749 -0.383 153 HB3 LEU 17 3HB LEU 17 -8.777 1.908 0.377 154 HG LEU 17 HG LEU 17 -7.883 2.570 -2.065 155 HD11 LEU 17 1HD1 LEU 17 -9.687 3.882 -3.195 156 HD12 LEU 17 2HD1 LEU 17 -10.850 3.157 -2.036 157 HD13 LEU 17 3HD1 LEU 17 -9.974 2.143 -3.211 158 HD21 LEU 17 1HD2 LEU 17 -8.555 4.960 -1.479 159 HD22 LEU 17 2HD2 LEU 17 -7.675 4.014 -0.277 160 HD23 LEU 17 3HD2 LEU 17 -9.442 4.250 -0.086 161 H SER 18 H SER 18 -10.637 -1.208 -1.168 162 HA SER 18 HA SER 18 -10.477 -2.382 1.572 163 HB2 SER 18 2HB SER 18 -12.601 -1.598 1.071 164 HB3 SER 18 3HB SER 18 -12.527 -2.156 -0.592 165 HG SER 18 HG SER 18 -13.893 -3.473 0.755 166 H GLU 19 H GLU 19 -10.444 -3.491 -1.878 167 HA GLU 19 HA GLU 19 -9.832 -6.264 -1.453 168 HB2 GLU 19 3HB GLU 19 -9.083 -4.269 -3.565 169 HB3 GLU 19 2HB GLU 19 -8.367 -5.802 -3.627 170 HG2 GLU 19 2HG GLU 19 -10.460 -5.266 -5.003 171 HG3 GLU 19 3HG GLU 19 -10.274 -6.866 -4.268 172 H LEU 20 H LEU 20 -7.629 -3.463 -1.923 173 HA LEU 20 HA LEU 20 -5.294 -4.942 -1.645 174 HB2 LEU 20 2HB LEU 20 -5.719 -2.558 -2.564 175 HB3 LEU 20 3HB LEU 20 -5.668 -1.957 -0.985 176 HG LEU 20 HG LEU 20 -3.761 -2.529 -3.083 177 HD11 LEU 20 1HD1 LEU 20 -3.210 -1.419 -0.363 178 HD12 LEU 20 2HD1 LEU 20 -3.992 -0.510 -1.703 179 HD13 LEU 20 3HD1 LEU 20 -2.315 -1.106 -1.873 180 HD21 LEU 20 1HD2 LEU 20 -3.365 -4.630 -2.068 181 HD22 LEU 20 2HD2 LEU 20 -2.990 -3.843 -0.505 182 HD23 LEU 20 3HD2 LEU 20 -1.963 -3.581 -1.942 183 H ALA 21 H ALA 21 -7.146 -3.044 0.795 184 HA ALA 21 HA ALA 21 -5.517 -3.659 2.968 185 HB1 ALA 21 1HB ALA 21 -7.356 -2.054 3.024 186 HB2 ALA 21 2HB ALA 21 -8.537 -3.380 3.013 187 HB3 ALA 21 3HB ALA 21 -7.414 -3.198 4.383 188 H GLU 22 H GLU 22 -8.171 -5.718 1.756 189 HA GLU 22 HA GLU 22 -7.888 -7.632 3.951 190 HB2 GLU 22 2HB GLU 22 -9.284 -9.136 2.737 191 HB3 GLU 22 3HB GLU 22 -10.021 -7.519 2.740 192 HG2 GLU 22 2HG GLU 22 -9.805 -7.255 0.474 193 HG3 GLU 22 3HG GLU 22 -8.434 -8.344 0.448 194 H LYS 23 H LYS 23 -6.369 -7.252 0.823 195 HA LYS 23 HA LYS 23 -5.139 -9.915 0.742 196 HB2 LYS 23 2HB LYS 23 -4.649 -7.323 -0.779 197 HB3 LYS 23 3HB LYS 23 -3.855 -8.868 -1.163 198 HG2 LYS 23 2HG LYS 23 -5.973 -9.915 -1.683 199 HG3 LYS 23 3HG LYS 23 -6.852 -8.548 -1.115 200 HD2 LYS 23 2HD LYS 23 -5.611 -7.143 -3.025 201 HD3 LYS 23 3HD LYS 23 -5.319 -8.725 -3.716 202 HE2 LYS 23 2HE LYS 23 -8.065 -7.762 -2.853 203 HE3 LYS 23 3HE LYS 23 -7.454 -7.697 -4.507 204 HZ1 LYS 23 1HZ LYS 23 -7.935 -10.163 -2.921 205 HZ2 LYS 23 2HZ LYS 23 -7.262 -10.159 -4.416 206 HZ3 LYS 23 3HZ LYS 23 -8.802 -9.665 -4.202 207 H ALA 24 H ALA 24 -3.902 -6.596 1.220 208 HA ALA 24 HA ALA 24 -1.329 -6.981 2.026 209 HB1 ALA 24 1HB ALA 24 -3.538 -5.076 2.868 210 HB2 ALA 24 2HB ALA 24 -1.826 -4.782 3.325 211 HB3 ALA 24 3HB ALA 24 -2.335 -4.847 1.600 212 H GLY 25 H GLY 25 -4.308 -7.176 4.008 213 HA2 GLY 25 2HA GLY 25 -4.542 -8.221 6.141 214 HA3 GLY 25 3HA GLY 25 -2.791 -8.243 6.341 215 H VAL 26 H VAL 26 -4.881 -5.521 5.490 216 HA VAL 26 HA VAL 26 -3.943 -3.992 7.906 217 HB VAL 26 HB VAL 26 -3.425 -2.129 6.655 218 HG11 VAL 26 1HG1 VAL 26 -2.048 -4.672 5.748 219 HG12 VAL 26 2HG1 VAL 26 -1.384 -3.024 5.573 220 HG13 VAL 26 3HG1 VAL 26 -1.812 -3.688 7.221 221 HG21 VAL 26 1HG2 VAL 26 -4.023 -3.849 4.351 222 HG22 VAL 26 2HG2 VAL 26 -4.929 -2.368 4.861 223 HG23 VAL 26 3HG2 VAL 26 -3.254 -2.222 4.263 224 H ALA 27 H ALA 27 -5.159 -1.812 7.628 225 HA ALA 27 HA ALA 27 -8.099 -2.413 7.712 226 HB1 ALA 27 1HB ALA 27 -8.216 -0.232 8.849 227 HB2 ALA 27 2HB ALA 27 -6.975 -1.281 9.595 228 HB3 ALA 27 3HB ALA 27 -6.480 0.036 8.523 229 H LYS 28 H LYS 28 -9.562 -1.541 6.032 230 HA LYS 28 HA LYS 28 -8.392 -0.344 3.669 231 HB2 LYS 28 2HB LYS 28 -10.725 -1.191 3.587 232 HB3 LYS 28 3HB LYS 28 -11.244 0.091 4.704 233 HG2 LYS 28 2HG LYS 28 -9.784 0.957 2.207 234 HG3 LYS 28 3HG LYS 28 -11.382 0.364 2.052 235 HD2 LYS 28 2HD LYS 28 -12.194 2.017 3.741 236 HD3 LYS 28 3HD LYS 28 -10.625 2.799 3.410 237 HE2 LYS 28 2HE LYS 28 -11.090 3.201 1.163 238 HE3 LYS 28 3HE LYS 28 -12.388 2.016 1.107 239 HZ1 LYS 28 1HZ LYS 28 -12.533 4.588 2.604 240 HZ2 LYS 28 2HZ LYS 28 -13.733 3.487 2.501 241 HZ3 LYS 28 3HZ LYS 28 -13.257 4.293 1.169 242 H SER 29 H SER 29 -9.669 1.055 6.637 243 HA SER 29 HA SER 29 -9.591 3.676 5.794 244 HB2 SER 29 2HB SER 29 -10.675 2.950 7.873 245 HB3 SER 29 3HB SER 29 -9.096 2.570 8.584 246 HG SER 29 HG SER 29 -9.942 4.611 9.269 247 H TYR 30 H TYR 30 -6.908 1.566 6.644 248 HA TYR 30 HA TYR 30 -4.831 3.615 6.747 249 HB2 TYR 30 2HB TYR 30 -4.787 0.610 6.584 250 HB3 TYR 30 3HB TYR 30 -3.730 1.350 5.487 251 HD1 TYR 30 HD1 TYR 30 -4.022 0.580 9.024 252 HD2 TYR 30 HD2 TYR 30 -2.134 3.082 6.082 253 HE1 TYR 30 HE1 TYR 30 -2.144 1.063 10.602 254 HE2 TYR 30 HE2 TYR 30 -0.260 3.489 7.531 255 HH TYR 30 HH TYR 30 -0.183 2.189 10.933 256 H LEU 31 H LEU 31 -5.916 1.424 4.059 257 HA LEU 31 HA LEU 31 -4.130 2.744 2.370 258 HB2 LEU 31 3HB LEU 31 -6.607 1.129 1.663 259 HB3 LEU 31 2HB LEU 31 -5.443 1.707 0.460 260 HG LEU 31 HG LEU 31 -4.985 -0.565 0.875 261 HD11 LEU 31 1HD1 LEU 31 -2.932 1.003 2.482 262 HD12 LEU 31 2HD1 LEU 31 -2.825 0.552 0.768 263 HD13 LEU 31 3HD1 LEU 31 -2.740 -0.692 2.047 264 HD21 LEU 31 1HD2 LEU 31 -4.479 -0.177 3.811 265 HD22 LEU 31 2HD2 LEU 31 -4.869 -1.626 2.826 266 HD23 LEU 31 3HD2 LEU 31 -6.129 -0.456 3.189 267 H SER 32 H SER 32 -7.629 3.427 2.900 268 HA SER 32 HA SER 32 -7.789 5.594 1.025 269 HB2 SER 32 2HB SER 32 -9.655 6.437 2.256 270 HB3 SER 32 3HB SER 32 -9.783 4.686 2.041 271 HG SER 32 HG SER 32 -10.222 5.696 4.223 272 H SER 33 H SER 33 -6.725 5.657 4.516 273 HA SER 33 HA SER 33 -6.254 8.499 4.340 274 HB2 SER 33 2HB SER 33 -6.834 7.323 6.403 275 HB3 SER 33 3HB SER 33 -5.271 6.498 6.375 276 HG SER 33 HG SER 33 -5.421 8.475 7.696 277 H ILE 34 H ILE 34 -3.901 5.710 3.956 278 HA ILE 34 HA ILE 34 -1.579 7.098 3.487 279 HB ILE 34 HB ILE 34 -2.768 4.689 2.007 280 HG12 ILE 34 2HG1 ILE 34 -2.284 4.246 4.390 281 HG13 ILE 34 3HG1 ILE 34 -1.339 3.257 3.353 282 HG21 ILE 34 1HG2 ILE 34 -0.070 5.995 1.739 283 HG22 ILE 34 2HG2 ILE 34 -0.329 4.273 1.279 284 HG23 ILE 34 3HG2 ILE 34 -1.226 5.529 0.456 285 HD11 ILE 34 1HD1 ILE 34 0.651 4.540 3.662 286 HD12 ILE 34 2HD1 ILE 34 -0.254 5.777 4.545 287 HD13 ILE 34 3HD1 ILE 34 -0.047 4.159 5.247 288 H GLU 35 H GLU 35 -4.042 6.314 1.054 289 HA GLU 35 HA GLU 35 -2.988 7.994 -1.002 290 HB2 GLU 35 2HB GLU 35 -5.798 6.903 -0.587 291 HB3 GLU 35 3HB GLU 35 -5.240 7.725 -2.055 292 HG2 GLU 35 2HG GLU 35 -3.438 6.056 -2.326 293 HG3 GLU 35 3HG GLU 35 -3.957 5.206 -0.889 294 H ARG 36 H ARG 36 -5.137 8.899 1.678 295 HA ARG 36 HA ARG 36 -5.407 11.668 0.734 296 HB2 ARG 36 2HB ARG 36 -5.913 10.443 3.472 297 HB3 ARG 36 3HB ARG 36 -6.236 12.117 3.049 298 HG2 ARG 36 2HG ARG 36 -7.532 9.872 1.481 299 HG3 ARG 36 3HG ARG 36 -8.207 10.447 3.014 300 HD2 ARG 36 2HD ARG 36 -8.434 12.707 2.137 301 HD3 ARG 36 3HD ARG 36 -7.509 12.264 0.709 302 HE ARG 36 HE ARG 36 -9.380 11.260 -0.246 303 HH11 ARG 36 1HH1 ARG 36 -10.214 12.018 3.079 304 HH12 ARG 36 2HH1 ARG 36 -11.903 11.677 2.821 305 HH21 ARG 36 1HH2 ARG 36 -11.541 10.849 -0.495 306 HH22 ARG 36 2HH2 ARG 36 -12.626 11.033 0.850 307 H ASN 37 H ASN 37 -3.824 10.699 3.766 308 HA ASN 37 HA ASN 37 -1.565 12.570 3.355 309 HB2 ASN 37 2HB ASN 37 -3.792 13.019 5.398 310 HB3 ASN 37 3HB ASN 37 -2.256 13.869 5.425 311 HD21 ASN 37 1HD2 ASN 37 -5.418 14.156 4.369 312 HD22 ASN 37 2HD2 ASN 37 -5.127 15.411 3.172 313 H LEU 38 H LEU 38 -2.285 9.572 4.456 314 HA LEU 38 HA LEU 38 -1.128 9.631 7.113 315 HB2 LEU 38 2HB LEU 38 -2.838 7.978 6.090 316 HB3 LEU 38 3HB LEU 38 -1.472 7.147 5.461 317 HG LEU 38 HG LEU 38 -1.923 7.593 8.385 318 HD11 LEU 38 1HD1 LEU 38 -2.624 5.280 6.601 319 HD12 LEU 38 2HD1 LEU 38 -3.678 6.232 7.677 320 HD13 LEU 38 3HD1 LEU 38 -2.498 5.138 8.370 321 HD21 LEU 38 1HD2 LEU 38 0.426 7.120 8.058 322 HD22 LEU 38 2HD2 LEU 38 0.037 5.794 6.934 323 HD23 LEU 38 3HD2 LEU 38 -0.346 5.669 8.660 324 H GLN 39 H GLN 39 0.093 8.422 3.975 325 HA GLN 39 HA GLN 39 2.631 7.689 5.054 326 HB2 GLN 39 2HB GLN 39 1.412 6.828 3.004 327 HB3 GLN 39 3HB GLN 39 2.140 8.168 2.116 328 HG2 GLN 39 2HG GLN 39 3.439 5.794 3.505 329 HG3 GLN 39 3HG GLN 39 3.499 6.187 1.797 330 HE21 GLN 39 1HE2 GLN 39 5.097 6.621 4.860 331 HE22 GLN 39 2HE2 GLN 39 6.290 7.777 4.273 332 H THR 40 H THR 40 2.945 9.533 6.214 333 HA THR 40 HA THR 40 4.871 11.461 5.013 334 HB THR 40 HB THR 40 3.959 13.235 6.379 335 HG1 THR 40 HG1 THR 40 1.890 11.472 7.169 336 HG21 THR 40 1HG2 THR 40 2.844 12.915 4.180 337 HG22 THR 40 2HG2 THR 40 1.737 13.577 5.399 338 HG23 THR 40 3HG2 THR 40 1.630 11.865 4.939 339 H ASN 41 H ASN 41 4.121 9.099 7.292 340 HA ASN 41 HA ASN 41 6.726 9.204 8.579 341 HB2 ASN 41 2HB ASN 41 5.426 10.672 10.072 342 HB3 ASN 41 3HB ASN 41 4.142 9.466 10.178 343 HD21 ASN 41 1HD2 ASN 41 4.385 9.432 12.501 344 HD22 ASN 41 2HD2 ASN 41 5.754 8.597 13.222 345 HA PRO 42 HA PRO 42 5.351 5.175 7.191 346 HB2 PRO 42 2HB PRO 42 7.666 3.710 7.450 347 HB3 PRO 42 3HB PRO 42 7.407 4.976 6.207 348 HG2 PRO 42 2HG PRO 42 8.812 5.252 8.880 349 HG3 PRO 42 3HG PRO 42 9.394 5.764 7.262 350 HD2 PRO 42 2HD PRO 42 8.197 7.518 8.938 351 HD3 PRO 42 3HD PRO 42 7.861 7.566 7.180 352 H SER 43 H SER 43 4.155 3.572 8.096 353 HA SER 43 HA SER 43 4.975 2.326 10.701 354 HB2 SER 43 2HB SER 43 2.602 2.933 10.485 355 HB3 SER 43 3HB SER 43 2.494 1.902 9.047 356 HG SER 43 HG SER 43 3.034 1.196 11.755 357 H ILE 44 H ILE 44 6.808 1.262 10.147 358 HA ILE 44 HA ILE 44 7.282 0.086 7.640 359 HB ILE 44 HB ILE 44 8.541 -0.622 10.298 360 HG12 ILE 44 2HG1 ILE 44 9.595 1.132 8.017 361 HG13 ILE 44 3HG1 ILE 44 8.724 1.794 9.389 362 HG21 ILE 44 1HG2 ILE 44 9.428 -1.313 7.450 363 HG22 ILE 44 2HG2 ILE 44 10.416 -1.553 8.907 364 HG23 ILE 44 3HG2 ILE 44 8.933 -2.464 8.707 365 HD11 ILE 44 1HD1 ILE 44 11.401 0.364 9.523 366 HD12 ILE 44 2HD1 ILE 44 11.064 2.080 9.794 367 HD13 ILE 44 3HD1 ILE 44 10.449 0.872 10.940 368 H GLN 45 H GLN 45 5.870 -1.499 10.539 369 HA GLN 45 HA GLN 45 5.700 -4.097 9.486 370 HB2 GLN 45 2HB GLN 45 4.009 -4.534 11.157 371 HB3 GLN 45 3HB GLN 45 5.360 -3.621 11.786 372 HG2 GLN 45 2HG GLN 45 3.633 -2.551 12.832 373 HG3 GLN 45 3HG GLN 45 3.865 -1.499 11.454 374 HE21 GLN 45 1HE2 GLN 45 1.748 -0.692 11.219 375 HE22 GLN 45 2HE2 GLN 45 0.342 -1.737 11.027 376 H PHE 46 H PHE 46 3.371 -1.456 9.099 377 HA PHE 46 HA PHE 46 1.315 -2.915 7.524 378 HB2 PHE 46 2HB PHE 46 0.541 -0.927 8.615 379 HB3 PHE 46 3HB PHE 46 1.985 -0.019 8.199 380 HD1 PHE 46 HD1 PHE 46 2.355 0.932 5.956 381 HD2 PHE 46 HD2 PHE 46 -1.293 -1.094 7.007 382 HE1 PHE 46 HE1 PHE 46 1.404 1.540 3.739 383 HE2 PHE 46 HE2 PHE 46 -2.303 -0.422 4.854 384 HZ PHE 46 HZ PHE 46 -0.957 0.980 3.247 385 H LEU 47 H LEU 47 4.168 -0.993 6.860 386 HA LEU 47 HA LEU 47 3.729 -0.961 3.975 387 HB2 LEU 47 2HB LEU 47 6.210 -0.562 5.720 388 HB3 LEU 47 3HB LEU 47 6.303 -0.490 3.982 389 HG LEU 47 HG LEU 47 4.550 1.414 5.612 390 HD11 LEU 47 1HD1 LEU 47 6.407 3.033 5.374 391 HD12 LEU 47 2HD1 LEU 47 7.448 1.753 4.730 392 HD13 LEU 47 3HD1 LEU 47 6.848 1.669 6.408 393 HD21 LEU 47 1HD2 LEU 47 4.966 2.902 3.616 394 HD22 LEU 47 2HD2 LEU 47 4.070 1.424 3.229 395 HD23 LEU 47 3HD2 LEU 47 5.823 1.547 2.861 396 H GLU 48 H GLU 48 5.599 -3.144 6.150 397 HA GLU 48 HA GLU 48 6.500 -4.916 4.182 398 HB2 GLU 48 2HB GLU 48 5.390 -6.108 6.724 399 HB3 GLU 48 3HB GLU 48 6.726 -6.616 5.713 400 HG2 GLU 48 2HG GLU 48 7.799 -4.314 6.569 401 HG3 GLU 48 3HG GLU 48 6.610 -4.516 7.823 402 H LYS 49 H LYS 49 3.403 -5.001 5.972 403 HA LYS 49 HA LYS 49 2.101 -7.180 4.810 404 HB2 LYS 49 2HB LYS 49 0.921 -4.490 5.657 405 HB3 LYS 49 3HB LYS 49 -0.002 -5.847 5.478 406 HG2 LYS 49 2HG LYS 49 2.109 -6.621 7.275 407 HG3 LYS 49 3HG LYS 49 1.666 -4.954 7.646 408 HD2 LYS 49 2HD LYS 49 0.369 -6.294 9.092 409 HD3 LYS 49 3HD LYS 49 -0.715 -5.645 7.868 410 HE2 LYS 49 2HE LYS 49 -1.302 -7.939 8.276 411 HE3 LYS 49 3HE LYS 49 -0.632 -7.827 6.651 412 HZ1 LYS 49 1HZ LYS 49 0.848 -8.774 9.056 413 HZ2 LYS 49 2HZ LYS 49 1.472 -8.709 7.543 414 HZ3 LYS 49 3HZ LYS 49 0.253 -9.736 7.882 415 H VAL 50 H VAL 50 1.562 -3.853 3.683 416 HA VAL 50 HA VAL 50 0.140 -4.908 1.251 417 HB VAL 50 HB VAL 50 -1.035 -3.160 2.130 418 HG11 VAL 50 1HG1 VAL 50 1.614 -1.945 2.600 419 HG12 VAL 50 2HG1 VAL 50 0.139 -0.923 2.437 420 HG13 VAL 50 3HG1 VAL 50 0.168 -2.237 3.648 421 HG21 VAL 50 1HG2 VAL 50 0.527 -1.739 0.015 422 HG22 VAL 50 2HG2 VAL 50 -0.664 -3.046 -0.309 423 HG23 VAL 50 3HG2 VAL 50 -1.153 -1.517 0.478 424 H SER 51 H SER 51 3.329 -3.345 1.840 425 HA SER 51 HA SER 51 3.952 -3.072 -1.005 426 HB2 SER 51 2HB SER 51 6.227 -2.984 -0.453 427 HB3 SER 51 3HB SER 51 5.425 -2.151 0.856 428 HG SER 51 HG SER 51 5.733 -3.848 2.146 429 H ALA 52 H ALA 52 4.247 -5.721 1.325 430 HA ALA 52 HA ALA 52 5.443 -7.665 -0.436 431 HB1 ALA 52 1HB ALA 52 4.371 -9.345 1.135 432 HB2 ALA 52 2HB ALA 52 5.335 -8.094 1.942 433 HB3 ALA 52 3HB ALA 52 3.564 -7.977 1.945 434 H VAL 53 H VAL 53 2.022 -6.904 0.268 435 HA VAL 53 HA VAL 53 1.007 -8.692 -1.741 436 HB VAL 53 HB VAL 53 0.029 -7.230 0.390 437 HG11 VAL 53 1HG1 VAL 53 -1.992 -6.107 -0.297 438 HG12 VAL 53 2HG1 VAL 53 -0.604 -5.241 -0.915 439 HG13 VAL 53 3HG1 VAL 53 -1.588 -6.281 -2.001 440 HG21 VAL 53 1HG2 VAL 53 -1.680 -8.621 -1.637 441 HG22 VAL 53 2HG2 VAL 53 -0.557 -9.498 -0.535 442 HG23 VAL 53 3HG2 VAL 53 -1.775 -8.468 0.172 443 H LEU 54 H LEU 54 1.955 -5.329 -2.036 444 HA LEU 54 HA LEU 54 0.904 -5.034 -4.721 445 HB2 LEU 54 2HB LEU 54 2.714 -3.269 -2.987 446 HB3 LEU 54 3HB LEU 54 2.209 -2.848 -4.564 447 HG LEU 54 HG LEU 54 0.354 -3.426 -2.278 448 HD11 LEU 54 1HD1 LEU 54 -0.017 -0.953 -2.286 449 HD12 LEU 54 2HD1 LEU 54 1.372 -0.817 -3.391 450 HD13 LEU 54 3HD1 LEU 54 1.612 -1.497 -1.823 451 HD21 LEU 54 1HD2 LEU 54 -1.425 -2.177 -3.908 452 HD22 LEU 54 2HD2 LEU 54 -1.065 -3.867 -4.168 453 HD23 LEU 54 3HD2 LEU 54 -0.285 -2.666 -5.157 454 H ASP 55 H ASP 55 3.414 -6.908 -3.868 455 HA ASP 55 HA ASP 55 5.204 -7.783 -4.937 456 HB2 ASP 55 2HB ASP 55 4.115 -6.363 -7.371 457 HB3 ASP 55 3HB ASP 55 5.587 -7.242 -7.417 458 H VAL 56 H VAL 56 5.407 -5.554 -3.374 459 HA VAL 56 HA VAL 56 7.604 -3.863 -4.488 460 HB VAL 56 HB VAL 56 4.771 -3.497 -3.646 461 HG11 VAL 56 1HG1 VAL 56 4.725 -1.285 -3.359 462 HG12 VAL 56 2HG1 VAL 56 5.807 -1.880 -2.123 463 HG13 VAL 56 3HG1 VAL 56 6.510 -1.084 -3.546 464 HG21 VAL 56 1HG2 VAL 56 4.684 -2.284 -5.660 465 HG22 VAL 56 2HG2 VAL 56 6.481 -2.171 -5.740 466 HG23 VAL 56 3HG2 VAL 56 5.623 -3.727 -5.988 467 H SER 57 H SER 57 8.540 -2.334 -2.680 468 HA SER 57 HA SER 57 9.236 -4.241 -0.526 469 HB2 SER 57 2HB SER 57 11.180 -2.601 -2.155 470 HB3 SER 57 3HB SER 57 11.554 -3.936 -1.059 471 HG SER 57 HG SER 57 11.572 -4.598 -3.253 472 H VAL 58 H VAL 58 7.682 -2.336 0.481 473 HA VAL 58 HA VAL 58 7.474 -1.067 2.302 474 HB VAL 58 HB VAL 58 10.223 -2.203 3.025 475 HG11 VAL 58 1HG1 VAL 58 8.148 -1.363 5.056 476 HG12 VAL 58 2HG1 VAL 58 9.807 -1.833 5.318 477 HG13 VAL 58 3HG1 VAL 58 9.473 -0.264 4.574 478 HG21 VAL 58 1HG2 VAL 58 8.877 -3.839 4.340 479 HG22 VAL 58 2HG2 VAL 58 7.413 -3.061 3.707 480 HG23 VAL 58 3HG2 VAL 58 8.516 -3.945 2.610 481 H HIS 59 H HIS 59 10.907 -0.446 1.386 482 HA HIS 59 HA HIS 59 10.799 2.409 2.014 483 HB2 HIS 59 2HB HIS 59 12.527 2.379 -0.042 484 HB3 HIS 59 3HB HIS 59 12.936 2.025 1.577 485 HD1 HIS 59 HD1 HIS 59 14.376 -0.040 1.881 486 HD2 HIS 59 HD2 HIS 59 12.047 -0.066 -1.630 487 HE1 HIS 59 HE1 HIS 59 15.052 -2.143 0.574 488 H THR 60 H THR 60 10.172 0.412 -0.804 489 HA THR 60 HA THR 60 10.073 2.254 -2.873 490 HB THR 60 HB THR 60 8.054 0.038 -2.415 491 HG1 THR 60 HG1 THR 60 10.509 -0.251 -3.746 492 HG21 THR 60 1HG2 THR 60 9.191 1.422 -4.816 493 HG22 THR 60 2HG2 THR 60 7.501 1.363 -4.267 494 HG23 THR 60 3HG2 THR 60 8.232 -0.120 -4.925 495 H LEU 61 H LEU 61 7.399 1.536 -0.637 496 HA LEU 61 HA LEU 61 5.450 3.213 -1.845 497 HB2 LEU 61 2HB LEU 61 5.824 2.287 0.964 498 HB3 LEU 61 3HB LEU 61 4.292 2.795 0.287 499 HG LEU 61 HG LEU 61 5.884 0.282 -0.600 500 HD11 LEU 61 1HD1 LEU 61 3.524 0.728 1.251 501 HD12 LEU 61 2HD1 LEU 61 5.086 -0.122 1.465 502 HD13 LEU 61 3HD1 LEU 61 3.820 -0.805 0.409 503 HD21 LEU 61 1HD2 LEU 61 4.755 1.164 -2.518 504 HD22 LEU 61 2HD2 LEU 61 3.357 1.654 -1.593 505 HD23 LEU 61 3HD2 LEU 61 3.659 -0.079 -1.853 506 H LEU 62 H LEU 62 7.818 3.926 0.734 507 HA LEU 62 HA LEU 62 6.793 6.686 0.951 508 HB2 LEU 62 2HB LEU 62 7.976 6.851 2.949 509 HB3 LEU 62 3HB LEU 62 7.398 5.215 2.932 510 HG LEU 62 HG LEU 62 9.917 4.939 1.756 511 HD11 LEU 62 1HD1 LEU 62 10.204 7.067 3.874 512 HD12 LEU 62 2HD1 LEU 62 10.618 7.201 2.137 513 HD13 LEU 62 3HD1 LEU 62 11.522 6.098 3.166 514 HD21 LEU 62 1HD2 LEU 62 9.217 4.700 4.668 515 HD22 LEU 62 2HD2 LEU 62 10.588 3.928 3.830 516 HD23 LEU 62 3HD2 LEU 62 8.925 3.503 3.368 517 H ASP 63 H ASP 63 9.318 4.968 -0.593 518 HA ASP 63 HA ASP 63 11.150 7.256 -0.738 519 HB2 ASP 63 2HB ASP 63 11.914 5.359 0.425 520 HB3 ASP 63 3HB ASP 63 11.588 4.291 -0.989 521 H GLU 64 H GLU 64 12.676 7.146 -2.432 522 HA GLU 64 HA GLU 64 11.403 7.439 -5.131 523 HB2 GLU 64 2HB GLU 64 12.711 9.589 -5.156 524 HB3 GLU 64 3HB GLU 64 11.467 9.498 -3.910 525 HG2 GLU 64 2HG GLU 64 13.157 8.986 -2.178 526 HG3 GLU 64 3HG GLU 64 14.424 8.933 -3.415 527 H LYS 65 H LYS 65 13.633 5.620 -3.745 528 HA LYS 65 HA LYS 65 15.505 5.357 -6.045 529 HB2 LYS 65 2HB LYS 65 17.469 5.488 -4.503 530 HB3 LYS 65 3HB LYS 65 16.556 7.005 -4.558 531 HG2 LYS 65 2HG LYS 65 15.305 6.220 -2.573 532 HG3 LYS 65 3HG LYS 65 16.426 4.875 -2.376 533 HD2 LYS 65 2HD LYS 65 17.076 7.844 -2.176 534 HD3 LYS 65 3HD LYS 65 16.496 6.812 -0.843 535 HE2 LYS 65 2HE LYS 65 18.487 5.295 -1.262 536 HE3 LYS 65 3HE LYS 65 19.079 6.444 -2.469 537 HZ1 LYS 65 1HZ LYS 65 18.672 7.003 0.431 538 HZ2 LYS 65 2HZ LYS 65 19.185 8.115 -0.664 539 HZ3 LYS 65 3HZ LYS 65 20.119 6.820 -0.310 540 H HIS 66 H HIS 66 14.047 3.929 -3.153 541 HA HIS 66 HA HIS 66 13.523 1.957 -2.550 542 HB2 HIS 66 2HB HIS 66 12.763 0.317 -4.038 543 HB3 HIS 66 3HB HIS 66 12.385 1.892 -4.688 544 HD1 HIS 66 HD1 HIS 66 12.018 0.664 -7.048 545 HD2 HIS 66 HD2 HIS 66 15.935 0.460 -5.507 546 HE1 HIS 66 HE1 HIS 66 13.495 -0.176 -8.942 547 H GLU 67 H GLU 67 16.208 2.660 -2.195 548 HA GLU 67 HA GLU 67 17.386 0.071 -1.556 549 HB2 GLU 67 2HB GLU 67 18.006 0.361 -3.934 550 HB3 GLU 67 3HB GLU 67 18.675 1.949 -3.586 551 HG2 GLU 67 2HG GLU 67 20.402 0.266 -3.908 552 HG3 GLU 67 3HG GLU 67 20.438 0.959 -2.302 553 H THR 68 H THR 68 18.973 0.232 0.017 554 HA THR 68 HA THR 68 19.559 0.938 2.076 555 HB THR 68 HB THR 68 21.191 2.711 2.216 556 HG1 THR 68 HG1 THR 68 20.264 4.192 0.781 557 HG21 THR 68 1HG2 THR 68 21.864 0.512 1.348 558 HG22 THR 68 2HG2 THR 68 22.824 1.834 0.663 559 HG23 THR 68 3HG2 THR 68 21.555 1.069 -0.311 560 H GLU 69 H GLU 69 16.854 1.729 1.550 561 HA GLU 69 HA GLU 69 16.566 3.698 3.770 562 HB2 GLU 69 2HB GLU 69 14.739 3.574 1.333 563 HB3 GLU 69 3HB GLU 69 14.471 4.547 2.761 564 HG2 GLU 69 2HG GLU 69 16.692 4.858 0.720 565 HG3 GLU 69 3HG GLU 69 15.311 5.908 0.987
Contact the webmaster for help, if required. Saturday, April 27, 2024 7:40:22 PM GMT (wattos1)