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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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607277 |
5kgz ![]() ![]() |
30107 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 2.492 -0.771 0.900 2 HA MET 1 HA MET 1 1.356 -1.550 -1.624 3 HB2 MET 1 HB2 MET 1 4.017 -0.568 -0.690 4 HB3 MET 1 HB3 MET 1 3.918 -1.376 -2.249 5 HG2 MET 1 HG2 MET 1 2.104 0.901 -1.554 6 HG3 MET 1 HG3 MET 1 3.726 1.171 -2.185 7 HE1 MET 1 HE1 MET 1 3.405 1.919 -5.094 8 HE2 MET 1 HE2 MET 1 4.535 0.914 -4.188 9 HE3 MET 1 HE3 MET 1 3.797 0.297 -5.667 10 H THR 2 H THR 2 2.583 -3.157 -3.018 11 HA THR 2 HA THR 2 3.317 -5.516 -1.408 12 HB THR 2 HB THR 2 1.091 -5.736 -2.525 13 HG1 THR 2 HG1 THR 2 3.247 -7.445 -3.224 14 HG21 THR 2 HG21 THR 2 1.991 -4.426 -4.594 15 HG22 THR 2 HG22 THR 2 0.822 -5.726 -4.826 16 HG23 THR 2 HG23 THR 2 2.535 -6.015 -5.131 17 H GLY 3 H GLY 3 4.866 -3.310 -2.872 18 HA2 GLY 3 HA2 GLY 3 6.490 -5.104 -4.569 19 HA3 GLY 3 HA3 GLY 3 6.327 -3.377 -4.852 20 H LEU 4 H LEU 4 6.598 -4.389 -1.581 21 HA LEU 4 HA LEU 4 9.081 -2.974 -1.291 22 HB2 LEU 4 HB2 LEU 4 7.548 -4.617 0.718 23 HB3 LEU 4 HB3 LEU 4 8.871 -3.509 1.077 24 HG LEU 4 HG LEU 4 6.330 -2.551 -0.205 25 HD11 LEU 4 HD11 LEU 4 6.730 -2.312 2.730 26 HD12 LEU 4 HD12 LEU 4 6.117 -3.835 2.086 27 HD13 LEU 4 HD13 LEU 4 5.240 -2.335 1.787 28 HD21 LEU 4 HD21 LEU 4 8.657 -1.283 0.106 29 HD22 LEU 4 HD22 LEU 4 7.951 -0.953 1.688 30 HD23 LEU 4 HD23 LEU 4 7.101 -0.461 0.223 31 H ALA 5 H ALA 5 8.038 -6.351 -1.060 32 HA ALA 5 HA ALA 5 10.876 -7.148 -1.036 33 HB1 ALA 5 HB1 ALA 5 8.628 -8.915 -0.128 34 HB2 ALA 5 HB2 ALA 5 10.351 -9.042 0.229 35 HB3 ALA 5 HB3 ALA 5 9.392 -7.754 0.959 36 H GLU 6 H GLU 6 7.819 -7.424 -2.635 37 HA GLU 6 HA GLU 6 8.174 -9.754 -4.117 38 HB2 GLU 6 HB2 GLU 6 6.642 -7.222 -4.587 39 HB3 GLU 6 HB3 GLU 6 6.727 -8.438 -5.853 40 HG2 GLU 6 HG2 GLU 6 5.933 -10.079 -4.044 41 HG3 GLU 6 HG3 GLU 6 5.479 -8.634 -3.142 42 H ALA 7 H ALA 7 9.063 -6.413 -4.952 43 HA ALA 7 HA ALA 7 10.106 -6.842 -7.476 44 HB1 ALA 7 HB1 ALA 7 11.323 -4.795 -7.204 45 HB2 ALA 7 HB2 ALA 7 9.764 -4.628 -6.395 46 HB3 ALA 7 HB3 ALA 7 11.223 -4.914 -5.447 47 H ILE 8 H ILE 8 11.773 -7.067 -4.345 48 HA ILE 8 HA ILE 8 14.291 -7.778 -5.452 49 HB ILE 8 HB ILE 8 13.300 -8.370 -2.663 50 HG12 ILE 8 HG12 ILE 8 12.994 -6.003 -3.136 51 HG13 ILE 8 HG13 ILE 8 14.358 -6.216 -2.044 52 HG21 ILE 8 HG21 ILE 8 16.124 -7.829 -3.519 53 HG22 ILE 8 HG22 ILE 8 15.544 -8.585 -2.036 54 HG23 ILE 8 HG23 ILE 8 15.435 -9.451 -3.568 55 HD11 ILE 8 HD11 ILE 8 14.591 -5.803 -5.014 56 HD12 ILE 8 HD12 ILE 8 14.762 -4.538 -3.797 57 HD13 ILE 8 HD13 ILE 8 15.911 -5.875 -3.846 58 H ALA 9 H ALA 9 11.498 -9.603 -4.372 59 HA ALA 9 HA ALA 9 12.836 -12.151 -4.541 60 HB1 ALA 9 HB1 ALA 9 9.986 -12.405 -4.573 61 HB2 ALA 9 HB2 ALA 9 11.128 -12.823 -3.295 62 HB3 ALA 9 HB3 ALA 9 10.459 -11.193 -3.382 63 H ASN 10 H ASN 10 11.872 -10.044 -6.842 64 HA ASN 10 HA ASN 10 10.652 -11.914 -8.679 65 HB2 ASN 10 HB2 ASN 10 10.273 -9.325 -8.479 66 HB3 ASN 10 HB3 ASN 10 11.698 -9.231 -9.510 67 HD21 ASN 10 HD21 ASN 10 10.634 -8.427 -11.271 68 HD22 ASN 10 HD22 ASN 10 9.501 -9.348 -12.194 69 H THR 11 H THR 11 13.796 -11.062 -7.767 70 HA THR 11 HA THR 11 14.897 -12.138 -10.281 71 HB THR 11 HB THR 11 15.591 -9.804 -9.734 72 HG1 THR 11 HG1 THR 11 17.560 -11.859 -9.768 73 HG21 THR 11 HG21 THR 11 17.486 -10.669 -7.672 74 HG22 THR 11 HG22 THR 11 15.798 -10.702 -7.160 75 HG23 THR 11 HG23 THR 11 16.506 -9.206 -7.769 76 H VAL 12 H VAL 12 14.727 -12.481 -6.838 77 HA VAL 12 HA VAL 12 16.951 -14.075 -6.324 78 HB VAL 12 HB VAL 12 15.791 -14.887 -4.366 79 HG11 VAL 12 HG11 VAL 12 15.810 -12.070 -5.115 80 HG12 VAL 12 HG12 VAL 12 14.655 -12.443 -3.834 81 HG13 VAL 12 HG13 VAL 12 16.360 -12.853 -3.634 82 HG21 VAL 12 HG21 VAL 12 13.336 -14.035 -4.117 83 HG22 VAL 12 HG22 VAL 12 13.362 -14.034 -5.880 84 HG23 VAL 12 HG23 VAL 12 13.667 -15.528 -4.994 85 H GLN 13 H GLN 13 14.035 -14.804 -8.018 86 HA GLN 13 HA GLN 13 13.831 -17.552 -7.710 87 HB2 GLN 13 HB2 GLN 13 13.185 -15.721 -10.004 88 HB3 GLN 13 HB3 GLN 13 12.919 -17.455 -10.124 89 HG2 GLN 13 HG2 GLN 13 11.792 -16.571 -7.681 90 HG3 GLN 13 HG3 GLN 13 11.258 -15.478 -8.957 91 HE21 GLN 13 HE21 GLN 13 10.173 -16.380 -10.782 92 HE22 GLN 13 HE22 GLN 13 9.306 -17.866 -10.635 93 H ALA 14 H ALA 14 15.915 -15.679 -9.857 94 HA ALA 14 HA ALA 14 17.217 -18.178 -10.708 95 HB1 ALA 14 HB1 ALA 14 17.317 -17.345 -12.764 96 HB2 ALA 14 HB2 ALA 14 16.315 -16.004 -12.206 97 HB3 ALA 14 HB3 ALA 14 18.072 -15.859 -12.186 98 H ALA 15 H ALA 15 17.781 -14.976 -9.359 99 HA ALA 15 HA ALA 15 20.621 -15.186 -9.279 100 HB1 ALA 15 HB1 ALA 15 19.026 -13.099 -9.096 101 HB2 ALA 15 HB2 ALA 15 19.160 -13.433 -7.369 102 HB3 ALA 15 HB3 ALA 15 20.610 -13.110 -8.320 103 H GLN 16 H GLN 16 18.087 -15.578 -6.809 104 HA GLN 16 HA GLN 16 18.049 -16.703 -4.833 105 HB2 GLN 16 HB2 GLN 16 20.513 -18.137 -5.830 106 HB3 GLN 16 HB3 GLN 16 19.381 -18.694 -4.606 107 HG2 GLN 16 HG2 GLN 16 17.617 -18.732 -6.377 108 HG3 GLN 16 HG3 GLN 16 18.885 -18.399 -7.555 109 HE21 GLN 16 HE21 GLN 16 20.814 -19.935 -7.333 110 HE22 GLN 16 HE22 GLN 16 20.424 -21.609 -7.161 111 H GLN 17 H GLN 17 19.408 -14.211 -4.968 112 HA GLN 17 HA GLN 17 20.684 -12.857 -3.659 113 HB2 GLN 17 HB2 GLN 17 21.081 -15.178 -1.784 114 HB3 GLN 17 HB3 GLN 17 21.059 -13.461 -1.404 115 HG2 GLN 17 HG2 GLN 17 18.669 -13.382 -1.920 116 HG3 GLN 17 HG3 GLN 17 18.696 -15.109 -2.276 117 HE21 GLN 17 HE21 GLN 17 17.502 -15.962 -0.701 118 HE22 GLN 17 HE22 GLN 17 17.791 -15.759 0.990 119 H HIS 18 H HIS 18 21.939 -14.192 -5.777 120 HA HIS 18 HA HIS 18 24.619 -14.751 -4.691 121 HB2 HIS 18 HB2 HIS 18 23.825 -16.649 -5.912 122 HB3 HIS 18 HB3 HIS 18 23.298 -15.640 -7.257 123 HD1 HIS 18 HD1 HIS 18 25.021 -15.041 -9.019 124 HD2 HIS 18 HD2 HIS 18 26.645 -17.044 -5.761 125 HE1 HIS 18 HE1 HIS 18 27.370 -15.630 -9.695 126 H ASP 19 H ASP 19 23.469 -13.713 -7.890 127 HA ASP 19 HA ASP 19 25.663 -12.106 -8.475 128 HB2 ASP 19 HB2 ASP 19 23.885 -12.930 -10.080 129 HB3 ASP 19 HB3 ASP 19 22.864 -11.617 -9.499 130 H SER 20 H SER 20 22.889 -11.468 -6.511 131 HA SER 20 HA SER 20 23.024 -8.627 -6.569 132 HB2 SER 20 HB2 SER 20 21.869 -10.363 -4.378 133 HB3 SER 20 HB3 SER 20 21.465 -8.683 -4.728 134 HG SER 20 HG SER 20 21.150 -10.528 -6.789 135 H VAL 21 H VAL 21 24.637 -11.107 -4.733 136 HA VAL 21 HA VAL 21 25.573 -9.498 -2.604 137 HB VAL 21 HB VAL 21 26.922 -11.954 -3.729 138 HG11 VAL 21 HG11 VAL 21 28.419 -11.484 -2.144 139 HG12 VAL 21 HG12 VAL 21 27.390 -10.239 -1.432 140 HG13 VAL 21 HG13 VAL 21 27.173 -11.930 -0.978 141 HG21 VAL 21 HG21 VAL 21 24.639 -12.537 -3.330 142 HG22 VAL 21 HG22 VAL 21 25.596 -13.177 -1.995 143 HG23 VAL 21 HG23 VAL 21 24.643 -11.711 -1.772 144 H LYS 22 H LYS 22 26.484 -9.727 -5.893 145 HA LYS 22 HA LYS 22 29.051 -8.395 -5.362 146 HB2 LYS 22 HB2 LYS 22 28.579 -10.538 -6.952 147 HB3 LYS 22 HB3 LYS 22 28.395 -9.236 -8.120 148 HG2 LYS 22 HG2 LYS 22 30.772 -9.110 -6.372 149 HG3 LYS 22 HG3 LYS 22 30.735 -10.401 -7.576 150 HD2 LYS 22 HD2 LYS 22 29.953 -7.720 -8.530 151 HD3 LYS 22 HD3 LYS 22 31.647 -7.915 -8.074 152 HE2 LYS 22 HE2 LYS 22 30.428 -10.022 -9.769 153 HE3 LYS 22 HE3 LYS 22 30.751 -8.461 -10.520 154 HZ1 LYS 22 HZ1 LYS 22 32.925 -9.509 -8.932 155 HZ2 LYS 22 HZ2 LYS 22 32.949 -8.801 -10.468 156 HZ3 LYS 22 HZ3 LYS 22 32.548 -10.436 -10.296 157 H LEU 23 H LEU 23 25.887 -7.906 -6.562 158 HA LEU 23 HA LEU 23 26.490 -5.126 -7.108 159 HB2 LEU 23 HB2 LEU 23 26.889 -6.056 -9.275 160 HB3 LEU 23 HB3 LEU 23 25.394 -6.986 -9.207 161 HG LEU 23 HG LEU 23 25.556 -4.809 -10.651 162 HD11 LEU 23 HD11 LEU 23 23.480 -6.269 -9.474 163 HD12 LEU 23 HD12 LEU 23 23.382 -5.186 -10.862 164 HD13 LEU 23 HD13 LEU 23 23.067 -4.570 -9.240 165 HD21 LEU 23 HD21 LEU 23 24.537 -3.521 -8.164 166 HD22 LEU 23 HD22 LEU 23 25.220 -2.788 -9.616 167 HD23 LEU 23 HD23 LEU 23 26.276 -3.585 -8.449 168 H GLY 24 H GLY 24 25.062 -4.186 -5.796 169 HA2 GLY 24 HA2 GLY 24 22.549 -3.627 -6.028 170 HA3 GLY 24 HA3 GLY 24 22.355 -5.321 -5.604 171 H THR 25 H THR 25 22.137 -2.348 -4.365 172 HA THR 25 HA THR 25 23.224 -3.069 -1.732 173 HB THR 25 HB THR 25 24.032 -0.935 -2.470 174 HG1 THR 25 HG1 THR 25 22.897 -1.271 -0.235 175 HG21 THR 25 HG21 THR 25 22.506 0.922 -3.013 176 HG22 THR 25 HG22 THR 25 21.135 -0.178 -2.874 177 HG23 THR 25 HG23 THR 25 22.337 -0.422 -4.141 178 H SER 26 H SER 26 20.282 -2.140 -3.410 179 HA SER 26 HA SER 26 18.745 -2.309 -0.928 180 HB2 SER 26 HB2 SER 26 16.845 -1.528 -2.380 181 HB3 SER 26 HB3 SER 26 18.201 -0.405 -2.294 182 HG SER 26 HG SER 26 17.877 -0.523 -4.412 183 H ILE 27 H ILE 27 19.982 -4.628 -2.397 184 HA ILE 27 HA ILE 27 17.515 -6.214 -2.680 185 HB ILE 27 HB ILE 27 20.066 -6.576 -4.257 186 HG12 ILE 27 HG12 ILE 27 18.070 -6.212 -6.075 187 HG13 ILE 27 HG13 ILE 27 17.531 -5.157 -4.773 188 HG21 ILE 27 HG21 ILE 27 19.402 -8.651 -4.668 189 HG22 ILE 27 HG22 ILE 27 18.031 -8.424 -3.584 190 HG23 ILE 27 HG23 ILE 27 17.869 -8.049 -5.299 191 HD11 ILE 27 HD11 ILE 27 18.904 -3.608 -5.542 192 HD12 ILE 27 HD12 ILE 27 20.263 -4.644 -5.106 193 HD13 ILE 27 HD13 ILE 27 19.572 -4.732 -6.726 194 H VAL 28 H VAL 28 20.899 -6.141 -1.712 195 HA VAL 28 HA VAL 28 20.852 -8.814 -0.637 196 HB VAL 28 HB VAL 28 23.096 -8.371 0.150 197 HG11 VAL 28 HG11 VAL 28 23.113 -7.006 -2.492 198 HG12 VAL 28 HG12 VAL 28 24.109 -8.337 -1.900 199 HG13 VAL 28 HG13 VAL 28 22.441 -8.633 -2.392 200 HG21 VAL 28 HG21 VAL 28 23.875 -5.908 -0.692 201 HG22 VAL 28 HG22 VAL 28 22.237 -5.578 -0.127 202 HG23 VAL 28 HG23 VAL 28 23.417 -6.301 0.966 203 H ASP 29 H ASP 29 20.101 -5.648 0.486 204 HA ASP 29 HA ASP 29 20.118 -6.550 3.282 205 HB2 ASP 29 HB2 ASP 29 19.756 -3.743 2.215 206 HB3 ASP 29 HB3 ASP 29 19.982 -4.208 3.899 207 H ILE 30 H ILE 30 18.106 -7.237 1.173 208 HA ILE 30 HA ILE 30 15.731 -6.273 2.623 209 HB ILE 30 HB ILE 30 15.867 -6.808 -0.346 210 HG12 ILE 30 HG12 ILE 30 17.065 -4.761 0.202 211 HG13 ILE 30 HG13 ILE 30 15.537 -4.363 -0.576 212 HG21 ILE 30 HG21 ILE 30 13.665 -7.079 -0.124 213 HG22 ILE 30 HG22 ILE 30 13.680 -6.494 1.539 214 HG23 ILE 30 HG23 ILE 30 13.593 -5.347 0.202 215 HD11 ILE 30 HD11 ILE 30 15.060 -4.434 2.200 216 HD12 ILE 30 HD12 ILE 30 16.540 -3.511 1.941 217 HD13 ILE 30 HD13 ILE 30 15.052 -3.040 1.121 218 H VAL 31 H VAL 31 17.212 -8.854 0.733 219 HA VAL 31 HA VAL 31 15.060 -10.706 1.208 220 HB VAL 31 HB VAL 31 16.418 -10.873 -0.828 221 HG11 VAL 31 HG11 VAL 31 18.654 -11.538 1.083 222 HG12 VAL 31 HG12 VAL 31 18.724 -11.789 -0.663 223 HG13 VAL 31 HG13 VAL 31 18.560 -10.158 -0.011 224 HG21 VAL 31 HG21 VAL 31 16.988 -13.345 0.764 225 HG22 VAL 31 HG22 VAL 31 15.329 -12.877 0.391 226 HG23 VAL 31 HG23 VAL 31 16.470 -13.195 -0.915 227 H ALA 32 H ALA 32 18.000 -9.803 2.792 228 HA ALA 32 HA ALA 32 17.694 -12.062 4.660 229 HB1 ALA 32 HB1 ALA 32 20.198 -10.436 4.312 230 HB2 ALA 32 HB2 ALA 32 20.008 -12.002 5.101 231 HB3 ALA 32 HB3 ALA 32 19.855 -11.873 3.349 232 H ASN 33 H ASN 33 18.141 -8.588 4.358 233 HA ASN 33 HA ASN 33 17.950 -8.252 7.254 234 HB2 ASN 33 HB2 ASN 33 18.852 -6.554 4.986 235 HB3 ASN 33 HB3 ASN 33 18.148 -5.729 6.373 236 HD21 ASN 33 HD21 ASN 33 20.339 -4.824 6.481 237 HD22 ASN 33 HD22 ASN 33 21.545 -5.697 7.356 238 H GLY 34 H GLY 34 16.439 -6.749 4.385 239 HA2 GLY 34 HA2 GLY 34 14.316 -5.527 5.691 240 HA3 GLY 34 HA3 GLY 34 14.286 -6.045 4.012 241 H VAL 35 H VAL 35 14.722 -8.875 4.804 242 HA VAL 35 HA VAL 35 12.031 -9.685 4.905 243 HB VAL 35 HB VAL 35 13.900 -11.066 3.999 244 HG11 VAL 35 HG11 VAL 35 14.550 -12.257 6.584 245 HG12 VAL 35 HG12 VAL 35 15.606 -11.808 5.244 246 HG13 VAL 35 HG13 VAL 35 15.101 -10.591 6.417 247 HG21 VAL 35 HG21 VAL 35 12.964 -13.101 5.680 248 HG22 VAL 35 HG22 VAL 35 11.658 -11.920 5.585 249 HG23 VAL 35 HG23 VAL 35 12.318 -12.625 4.110 250 H GLY 36 H GLY 36 14.300 -8.901 7.397 251 HA2 GLY 36 HA2 GLY 36 13.224 -10.352 9.545 252 HA3 GLY 36 HA3 GLY 36 14.124 -8.849 9.684 253 H LEU 37 H LEU 37 11.927 -7.700 7.822 254 HA LEU 37 HA LEU 37 10.291 -6.717 9.985 255 HB2 LEU 37 HB2 LEU 37 10.650 -6.067 7.103 256 HB3 LEU 37 HB3 LEU 37 9.159 -5.564 7.896 257 HG LEU 37 HG LEU 37 10.730 -4.468 9.636 258 HD11 LEU 37 HD11 LEU 37 12.595 -5.102 7.386 259 HD12 LEU 37 HD12 LEU 37 12.847 -5.250 9.124 260 HD13 LEU 37 HD13 LEU 37 12.834 -3.657 8.368 261 HD21 LEU 37 HD21 LEU 37 11.035 -2.490 8.018 262 HD22 LEU 37 HD22 LEU 37 9.397 -3.047 8.362 263 HD23 LEU 37 HD23 LEU 37 10.184 -3.503 6.851 264 H LEU 38 H LEU 38 9.937 -8.880 7.246 265 HA LEU 38 HA LEU 38 7.087 -9.210 7.751 266 HB2 LEU 38 HB2 LEU 38 6.954 -10.314 5.717 267 HB3 LEU 38 HB3 LEU 38 8.186 -9.085 5.439 268 HG LEU 38 HG LEU 38 9.766 -11.138 6.133 269 HD11 LEU 38 HD11 LEU 38 7.212 -12.327 5.136 270 HD12 LEU 38 HD12 LEU 38 8.262 -12.863 6.447 271 HD13 LEU 38 HD13 LEU 38 8.755 -13.098 4.770 272 HD21 LEU 38 HD21 LEU 38 10.198 -9.970 4.158 273 HD22 LEU 38 HD22 LEU 38 8.623 -10.364 3.470 274 HD23 LEU 38 HD23 LEU 38 9.858 -11.614 3.617 275 H GLY 39 H GLY 39 10.100 -10.764 8.420 276 HA2 GLY 39 HA2 GLY 39 9.392 -13.414 8.751 277 HA3 GLY 39 HA3 GLY 39 10.600 -12.587 9.724 278 H LYS 40 H LYS 40 8.823 -10.708 10.941 279 HA LYS 40 HA LYS 40 7.729 -12.431 12.992 280 HB2 LYS 40 HB2 LYS 40 8.341 -9.538 12.722 281 HB3 LYS 40 HB3 LYS 40 7.056 -9.975 13.840 282 HG2 LYS 40 HG2 LYS 40 9.805 -11.189 13.928 283 HG3 LYS 40 HG3 LYS 40 9.340 -9.755 14.846 284 HD2 LYS 40 HD2 LYS 40 7.626 -11.013 16.006 285 HD3 LYS 40 HD3 LYS 40 7.974 -12.441 15.027 286 HE2 LYS 40 HE2 LYS 40 10.196 -12.587 15.978 287 HE3 LYS 40 HE3 LYS 40 9.935 -11.099 16.885 288 HZ1 LYS 40 HZ1 LYS 40 9.233 -12.407 18.519 289 HZ2 LYS 40 HZ2 LYS 40 9.149 -13.771 17.522 290 HZ3 LYS 40 HZ3 LYS 40 7.843 -12.698 17.598 291 H LEU 41 H LEU 41 6.582 -10.556 10.319 292 HA LEU 41 HA LEU 41 3.868 -10.349 11.191 293 HB2 LEU 41 HB2 LEU 41 5.424 -9.673 8.800 294 HB3 LEU 41 HB3 LEU 41 3.749 -10.119 8.478 295 HG LEU 41 HG LEU 41 4.216 -8.115 10.610 296 HD11 LEU 41 HD11 LEU 41 4.039 -6.591 8.301 297 HD12 LEU 41 HD12 LEU 41 5.267 -7.802 7.934 298 HD13 LEU 41 HD13 LEU 41 5.448 -6.764 9.348 299 HD21 LEU 41 HD21 LEU 41 2.202 -7.133 9.566 300 HD22 LEU 41 HD22 LEU 41 1.968 -8.806 10.073 301 HD23 LEU 41 HD23 LEU 41 2.223 -8.428 8.369 302 H PHE 42 H PHE 42 5.648 -12.543 9.063 303 HA PHE 42 HA PHE 42 3.250 -14.233 8.867 304 HB2 PHE 42 HB2 PHE 42 5.761 -14.248 7.179 305 HB3 PHE 42 HB3 PHE 42 4.369 -15.300 6.947 306 HD1 PHE 42 HD1 PHE 42 2.541 -14.606 5.670 307 HD2 PHE 42 HD2 PHE 42 5.441 -11.754 6.924 308 HE1 PHE 42 HE1 PHE 42 1.507 -12.917 4.209 309 HE2 PHE 42 HE2 PHE 42 4.412 -10.061 5.466 310 HZ PHE 42 HZ PHE 42 2.441 -10.641 4.107 311 H GLY 43 H GLY 43 6.780 -14.778 8.895 312 HA2 GLY 43 HA2 GLY 43 7.117 -16.098 11.239 313 HA3 GLY 43 HA3 GLY 43 6.425 -17.331 10.195 314 H PHE 44 H PHE 44 7.807 -15.986 7.854 315 HA PHE 44 HA PHE 44 10.463 -17.156 8.352 316 HB2 PHE 44 HB2 PHE 44 10.494 -17.338 5.784 317 HB3 PHE 44 HB3 PHE 44 9.463 -18.456 6.671 318 HD1 PHE 44 HD1 PHE 44 7.387 -18.823 5.788 319 HD2 PHE 44 HD2 PHE 44 9.218 -15.023 5.220 320 HE1 PHE 44 HE1 PHE 44 5.450 -18.093 4.459 321 HE2 PHE 44 HE2 PHE 44 7.283 -14.286 3.891 322 HZ PHE 44 HZ PHE 44 5.396 -15.821 3.509 Start of MODEL 2 1 H MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 1.428 0.297 -2.040 3 HB2 MET 1 HB2 MET 1 2.839 1.999 -1.106 4 HB3 MET 1 HB3 MET 1 3.812 0.805 -0.258 5 HG2 MET 1 HG2 MET 1 4.973 0.214 -2.124 6 HG3 MET 1 HG3 MET 1 3.644 0.612 -3.211 7 HE1 MET 1 HE1 MET 1 6.018 1.014 -4.215 8 HE2 MET 1 HE2 MET 1 6.122 2.682 -4.778 9 HE3 MET 1 HE3 MET 1 7.181 2.120 -3.484 10 H THR 2 H THR 2 1.827 -1.341 -3.375 11 HA THR 2 HA THR 2 2.927 -3.810 -2.279 12 HB THR 2 HB THR 2 0.881 -4.065 -3.530 13 HG1 THR 2 HG1 THR 2 2.936 -5.481 -3.912 14 HG21 THR 2 HG21 THR 2 0.949 -2.112 -4.938 15 HG22 THR 2 HG22 THR 2 0.818 -3.540 -5.965 16 HG23 THR 2 HG23 THR 2 2.369 -2.722 -5.786 17 H GLY 3 H GLY 3 4.745 -4.841 -3.051 18 HA2 GLY 3 HA2 GLY 3 6.443 -5.084 -4.787 19 HA3 GLY 3 HA3 GLY 3 6.352 -3.345 -5.027 20 H LEU 4 H LEU 4 6.249 -4.462 -1.782 21 HA LEU 4 HA LEU 4 8.643 -3.068 -1.119 22 HB2 LEU 4 HB2 LEU 4 7.072 -5.015 0.561 23 HB3 LEU 4 HB3 LEU 4 8.248 -3.838 1.142 24 HG LEU 4 HG LEU 4 5.721 -3.011 -0.262 25 HD11 LEU 4 HD11 LEU 4 4.472 -3.396 1.533 26 HD12 LEU 4 HD12 LEU 4 5.672 -2.675 2.605 27 HD13 LEU 4 HD13 LEU 4 5.798 -4.376 2.158 28 HD21 LEU 4 HD21 LEU 4 7.907 -1.677 1.245 29 HD22 LEU 4 HD22 LEU 4 6.275 -1.027 1.400 30 HD23 LEU 4 HD23 LEU 4 7.030 -1.145 -0.190 31 H ALA 5 H ALA 5 7.773 -6.524 -0.970 32 HA ALA 5 HA ALA 5 10.650 -7.156 -1.049 33 HB1 ALA 5 HB1 ALA 5 8.444 -8.939 -0.034 34 HB2 ALA 5 HB2 ALA 5 10.184 -9.190 0.115 35 HB3 ALA 5 HB3 ALA 5 9.405 -7.874 0.992 36 H GLU 6 H GLU 6 7.587 -7.582 -2.596 37 HA GLU 6 HA GLU 6 7.975 -9.881 -4.087 38 HB2 GLU 6 HB2 GLU 6 6.434 -7.360 -4.553 39 HB3 GLU 6 HB3 GLU 6 6.559 -8.539 -5.850 40 HG2 GLU 6 HG2 GLU 6 5.611 -10.249 -4.371 41 HG3 GLU 6 HG3 GLU 6 5.453 -9.042 -3.096 42 H ALA 7 H ALA 7 8.954 -6.557 -4.853 43 HA ALA 7 HA ALA 7 9.970 -6.926 -7.392 44 HB1 ALA 7 HB1 ALA 7 11.183 -4.928 -7.097 45 HB2 ALA 7 HB2 ALA 7 9.749 -4.764 -6.084 46 HB3 ALA 7 HB3 ALA 7 11.304 -5.165 -5.354 47 H ILE 8 H ILE 8 11.826 -7.098 -4.346 48 HA ILE 8 HA ILE 8 14.230 -7.959 -5.480 49 HB ILE 8 HB ILE 8 13.162 -8.537 -2.714 50 HG12 ILE 8 HG12 ILE 8 15.054 -6.609 -2.421 51 HG13 ILE 8 HG13 ILE 8 14.394 -6.175 -3.994 52 HG21 ILE 8 HG21 ILE 8 15.988 -8.346 -2.778 53 HG22 ILE 8 HG22 ILE 8 14.991 -9.740 -2.363 54 HG23 ILE 8 HG23 ILE 8 15.495 -9.482 -4.034 55 HD11 ILE 8 HD11 ILE 8 12.408 -6.745 -1.905 56 HD12 ILE 8 HD12 ILE 8 13.405 -5.311 -1.651 57 HD13 ILE 8 HD13 ILE 8 12.450 -5.472 -3.125 58 H ALA 9 H ALA 9 11.421 -9.773 -4.372 59 HA ALA 9 HA ALA 9 12.651 -12.340 -4.697 60 HB1 ALA 9 HB1 ALA 9 9.801 -12.509 -4.791 61 HB2 ALA 9 HB2 ALA 9 10.902 -12.994 -3.500 62 HB3 ALA 9 HB3 ALA 9 10.275 -11.346 -3.552 63 H ASN 10 H ASN 10 11.630 -10.077 -6.891 64 HA ASN 10 HA ASN 10 10.493 -11.882 -8.839 65 HB2 ASN 10 HB2 ASN 10 10.216 -9.214 -8.434 66 HB3 ASN 10 HB3 ASN 10 11.421 -9.216 -9.719 67 HD21 ASN 10 HD21 ASN 10 9.058 -8.096 -10.247 68 HD22 ASN 10 HD22 ASN 10 8.122 -9.089 -11.306 69 H THR 11 H THR 11 13.592 -11.092 -7.830 70 HA THR 11 HA THR 11 14.738 -11.939 -10.412 71 HB THR 11 HB THR 11 15.476 -9.702 -9.963 72 HG1 THR 11 HG1 THR 11 17.703 -11.147 -9.051 73 HG21 THR 11 HG21 THR 11 16.801 -9.242 -7.850 74 HG22 THR 11 HG22 THR 11 16.146 -10.754 -7.220 75 HG23 THR 11 HG23 THR 11 15.060 -9.431 -7.644 76 H VAL 12 H VAL 12 14.607 -12.451 -6.980 77 HA VAL 12 HA VAL 12 16.866 -14.013 -6.555 78 HB VAL 12 HB VAL 12 15.735 -14.960 -4.643 79 HG11 VAL 12 HG11 VAL 12 15.738 -12.127 -5.233 80 HG12 VAL 12 HG12 VAL 12 14.497 -12.548 -4.052 81 HG13 VAL 12 HG13 VAL 12 16.183 -12.970 -3.750 82 HG21 VAL 12 HG21 VAL 12 13.256 -14.212 -4.346 83 HG22 VAL 12 HG22 VAL 12 13.275 -14.103 -6.106 84 HG23 VAL 12 HG23 VAL 12 13.632 -15.637 -5.314 85 H GLN 13 H GLN 13 13.945 -14.750 -8.253 86 HA GLN 13 HA GLN 13 13.803 -17.499 -8.105 87 HB2 GLN 13 HB2 GLN 13 13.223 -15.623 -10.391 88 HB3 GLN 13 HB3 GLN 13 12.895 -17.348 -10.484 89 HG2 GLN 13 HG2 GLN 13 11.757 -16.463 -8.077 90 HG3 GLN 13 HG3 GLN 13 11.335 -15.265 -9.299 91 HE21 GLN 13 HE21 GLN 13 9.203 -15.777 -9.461 92 HE22 GLN 13 HE22 GLN 13 8.623 -17.280 -10.085 93 H ALA 14 H ALA 14 15.851 -15.514 -10.201 94 HA ALA 14 HA ALA 14 17.255 -17.955 -11.057 95 HB1 ALA 14 HB1 ALA 14 18.006 -15.571 -12.507 96 HB2 ALA 14 HB2 ALA 14 17.366 -17.101 -13.108 97 HB3 ALA 14 HB3 ALA 14 16.263 -15.838 -12.560 98 H ALA 15 H ALA 15 17.680 -14.751 -9.668 99 HA ALA 15 HA ALA 15 20.518 -14.802 -9.598 100 HB1 ALA 15 HB1 ALA 15 18.727 -12.853 -9.253 101 HB2 ALA 15 HB2 ALA 15 19.061 -13.225 -7.561 102 HB3 ALA 15 HB3 ALA 15 20.377 -12.754 -8.637 103 H GLN 16 H GLN 16 18.044 -15.457 -7.123 104 HA GLN 16 HA GLN 16 18.110 -16.624 -5.173 105 HB2 GLN 16 HB2 GLN 16 20.544 -17.969 -6.355 106 HB3 GLN 16 HB3 GLN 16 19.517 -18.589 -5.069 107 HG2 GLN 16 HG2 GLN 16 17.677 -18.848 -6.593 108 HG3 GLN 16 HG3 GLN 16 18.597 -18.083 -7.888 109 HE21 GLN 16 HE21 GLN 16 19.691 -19.355 -9.211 110 HE22 GLN 16 HE22 GLN 16 20.073 -21.016 -8.931 111 H GLN 17 H GLN 17 19.390 -14.106 -5.223 112 HA GLN 17 HA GLN 17 20.688 -12.785 -3.903 113 HB2 GLN 17 HB2 GLN 17 21.234 -15.196 -2.184 114 HB3 GLN 17 HB3 GLN 17 21.203 -13.504 -1.706 115 HG2 GLN 17 HG2 GLN 17 18.794 -13.438 -2.071 116 HG3 GLN 17 HG3 GLN 17 18.820 -15.129 -2.566 117 HE21 GLN 17 HE21 GLN 17 17.726 -16.128 -1.005 118 HE22 GLN 17 HE22 GLN 17 18.101 -16.054 0.680 119 H HIS 18 H HIS 18 21.870 -14.018 -6.148 120 HA HIS 18 HA HIS 18 24.595 -14.629 -5.240 121 HB2 HIS 18 HB2 HIS 18 23.734 -16.321 -6.705 122 HB3 HIS 18 HB3 HIS 18 23.198 -15.118 -7.873 123 HD1 HIS 18 HD1 HIS 18 24.893 -14.293 -9.568 124 HD2 HIS 18 HD2 HIS 18 26.551 -16.769 -6.672 125 HE1 HIS 18 HE1 HIS 18 27.219 -14.807 -10.374 126 H ASP 19 H ASP 19 23.315 -13.099 -8.186 127 HA ASP 19 HA ASP 19 25.485 -11.474 -8.700 128 HB2 ASP 19 HB2 ASP 19 24.174 -10.410 -10.295 129 HB3 ASP 19 HB3 ASP 19 23.328 -11.943 -10.094 130 H SER 20 H SER 20 22.799 -10.949 -6.513 131 HA SER 20 HA SER 20 23.095 -8.218 -6.035 132 HB2 SER 20 HB2 SER 20 21.667 -8.513 -4.231 133 HB3 SER 20 HB3 SER 20 21.306 -9.949 -5.190 134 HG SER 20 HG SER 20 21.734 -10.256 -2.862 135 H VAL 21 H VAL 21 24.797 -10.982 -4.673 136 HA VAL 21 HA VAL 21 26.136 -9.700 -2.583 137 HB VAL 21 HB VAL 21 27.181 -11.975 -4.275 138 HG11 VAL 21 HG11 VAL 21 28.091 -12.398 -1.755 139 HG12 VAL 21 HG12 VAL 21 29.014 -11.595 -3.028 140 HG13 VAL 21 HG13 VAL 21 28.131 -10.637 -1.838 141 HG21 VAL 21 HG21 VAL 21 25.047 -12.626 -3.476 142 HG22 VAL 21 HG22 VAL 21 26.228 -13.379 -2.406 143 HG23 VAL 21 HG23 VAL 21 25.356 -11.939 -1.881 144 H LYS 22 H LYS 22 26.655 -9.599 -6.004 145 HA LYS 22 HA LYS 22 29.252 -8.283 -5.653 146 HB2 LYS 22 HB2 LYS 22 27.891 -9.631 -7.952 147 HB3 LYS 22 HB3 LYS 22 29.126 -8.422 -8.277 148 HG2 LYS 22 HG2 LYS 22 30.767 -9.692 -7.072 149 HG3 LYS 22 HG3 LYS 22 29.543 -10.850 -6.547 150 HD2 LYS 22 HD2 LYS 22 29.139 -11.401 -8.947 151 HD3 LYS 22 HD3 LYS 22 30.504 -10.363 -9.365 152 HE2 LYS 22 HE2 LYS 22 32.049 -11.788 -8.380 153 HE3 LYS 22 HE3 LYS 22 30.834 -12.566 -7.367 154 HZ1 LYS 22 HZ1 LYS 22 30.400 -12.873 -10.204 155 HZ2 LYS 22 HZ2 LYS 22 30.324 -14.023 -8.967 156 HZ3 LYS 22 HZ3 LYS 22 31.818 -13.603 -9.640 157 H LEU 23 H LEU 23 25.966 -7.722 -6.662 158 HA LEU 23 HA LEU 23 26.303 -4.890 -6.471 159 HB2 LEU 23 HB2 LEU 23 27.097 -5.702 -8.842 160 HB3 LEU 23 HB3 LEU 23 25.366 -5.757 -9.165 161 HG LEU 23 HG LEU 23 26.347 -3.674 -9.954 162 HD11 LEU 23 HD11 LEU 23 24.787 -2.157 -8.959 163 HD12 LEU 23 HD12 LEU 23 24.642 -3.168 -7.523 164 HD13 LEU 23 HD13 LEU 23 24.022 -3.742 -9.071 165 HD21 LEU 23 HD21 LEU 23 26.981 -3.017 -7.087 166 HD22 LEU 23 HD22 LEU 23 27.409 -2.106 -8.536 167 HD23 LEU 23 HD23 LEU 23 28.175 -3.662 -8.213 168 H GLY 24 H GLY 24 24.591 -4.733 -5.120 169 HA2 GLY 24 HA2 GLY 24 22.006 -4.520 -6.067 170 HA3 GLY 24 HA3 GLY 24 22.156 -6.170 -5.481 171 H THR 25 H THR 25 22.826 -2.826 -4.456 172 HA THR 25 HA THR 25 22.878 -3.395 -1.694 173 HB THR 25 HB THR 25 23.858 -1.344 -2.562 174 HG1 THR 25 HG1 THR 25 22.589 -1.522 -0.396 175 HG21 THR 25 HG21 THR 25 21.476 -1.140 -4.018 176 HG22 THR 25 HG22 THR 25 22.813 0.009 -3.995 177 HG23 THR 25 HG23 THR 25 21.454 0.215 -2.890 178 H SER 26 H SER 26 20.282 -2.813 -3.928 179 HA SER 26 HA SER 26 18.345 -2.512 -1.758 180 HB2 SER 26 HB2 SER 26 16.744 -2.259 -3.787 181 HB3 SER 26 HB3 SER 26 17.878 -0.953 -3.441 182 HG SER 26 HG SER 26 17.901 -1.496 -5.650 183 H ILE 27 H ILE 27 19.783 -5.043 -2.383 184 HA ILE 27 HA ILE 27 17.402 -6.740 -2.571 185 HB ILE 27 HB ILE 27 19.956 -7.334 -4.070 186 HG12 ILE 27 HG12 ILE 27 18.136 -7.154 -6.013 187 HG13 ILE 27 HG13 ILE 27 17.394 -6.039 -4.871 188 HG21 ILE 27 HG21 ILE 27 19.219 -9.418 -4.261 189 HG22 ILE 27 HG22 ILE 27 17.908 -9.022 -3.151 190 HG23 ILE 27 HG23 ILE 27 17.671 -8.853 -4.890 191 HD11 ILE 27 HD11 ILE 27 19.892 -5.101 -4.824 192 HD12 ILE 27 HD12 ILE 27 19.862 -5.769 -6.456 193 HD13 ILE 27 HD13 ILE 27 18.675 -4.556 -5.977 194 H VAL 28 H VAL 28 20.855 -6.528 -1.810 195 HA VAL 28 HA VAL 28 20.967 -8.951 -0.332 196 HB VAL 28 HB VAL 28 23.127 -8.191 0.468 197 HG11 VAL 28 HG11 VAL 28 23.708 -7.181 -2.088 198 HG12 VAL 28 HG12 VAL 28 23.856 -8.847 -1.525 199 HG13 VAL 28 HG13 VAL 28 22.364 -8.303 -2.293 200 HG21 VAL 28 HG21 VAL 28 23.746 -5.808 -0.615 201 HG22 VAL 28 HG22 VAL 28 22.037 -5.548 -0.264 202 HG23 VAL 28 HG23 VAL 28 23.144 -6.001 1.031 203 H ASP 29 H ASP 29 19.932 -5.743 0.418 204 HA ASP 29 HA ASP 29 19.927 -6.325 3.293 205 HB2 ASP 29 HB2 ASP 29 19.327 -3.721 1.873 206 HB3 ASP 29 HB3 ASP 29 19.491 -3.947 3.613 207 H ILE 30 H ILE 30 18.073 -7.516 1.305 208 HA ILE 30 HA ILE 30 15.557 -6.603 2.534 209 HB ILE 30 HB ILE 30 15.910 -7.558 -0.309 210 HG12 ILE 30 HG12 ILE 30 16.719 -5.259 0.064 211 HG13 ILE 30 HG13 ILE 30 15.273 -5.283 -0.940 212 HG21 ILE 30 HG21 ILE 30 13.742 -8.022 -0.317 213 HG22 ILE 30 HG22 ILE 30 13.643 -7.602 1.392 214 HG23 ILE 30 HG23 ILE 30 13.379 -6.365 0.164 215 HD11 ILE 30 HD11 ILE 30 14.537 -5.031 1.813 216 HD12 ILE 30 HD12 ILE 30 15.724 -3.799 1.384 217 HD13 ILE 30 HD13 ILE 30 14.226 -3.939 0.463 218 H VAL 31 H VAL 31 17.367 -9.282 1.125 219 HA VAL 31 HA VAL 31 15.414 -11.261 1.851 220 HB VAL 31 HB VAL 31 16.971 -11.537 -0.075 221 HG11 VAL 31 HG11 VAL 31 19.094 -12.254 1.919 222 HG12 VAL 31 HG12 VAL 31 19.253 -11.957 0.186 223 HG13 VAL 31 HG13 VAL 31 18.942 -10.614 1.287 224 HG21 VAL 31 HG21 VAL 31 16.781 -13.772 0.075 225 HG22 VAL 31 HG22 VAL 31 17.657 -13.846 1.604 226 HG23 VAL 31 HG23 VAL 31 15.945 -13.423 1.588 227 H ALA 32 H ALA 32 18.143 -9.770 3.366 228 HA ALA 32 HA ALA 32 18.004 -11.721 5.569 229 HB1 ALA 32 HB1 ALA 32 20.279 -9.823 5.049 230 HB2 ALA 32 HB2 ALA 32 20.255 -11.233 6.107 231 HB3 ALA 32 HB3 ALA 32 20.202 -11.443 4.357 232 H ASN 33 H ASN 33 18.158 -8.278 4.778 233 HA ASN 33 HA ASN 33 17.693 -7.538 7.552 234 HB2 ASN 33 HB2 ASN 33 18.984 -6.304 5.408 235 HB3 ASN 33 HB3 ASN 33 17.516 -5.358 5.639 236 HD21 ASN 33 HD21 ASN 33 17.062 -4.748 7.940 237 HD22 ASN 33 HD22 ASN 33 18.410 -4.254 8.900 238 H GLY 34 H GLY 34 16.132 -6.697 4.448 239 HA2 GLY 34 HA2 GLY 34 13.790 -5.643 5.497 240 HA3 GLY 34 HA3 GLY 34 13.923 -6.385 3.909 241 H VAL 35 H VAL 35 14.722 -8.981 5.123 242 HA VAL 35 HA VAL 35 12.166 -10.157 5.259 243 HB VAL 35 HB VAL 35 14.312 -11.320 4.617 244 HG11 VAL 35 HG11 VAL 35 14.830 -12.164 7.366 245 HG12 VAL 35 HG12 VAL 35 15.957 -11.724 6.081 246 HG13 VAL 35 HG13 VAL 35 15.199 -10.467 7.060 247 HG21 VAL 35 HG21 VAL 35 13.567 -13.387 6.211 248 HG22 VAL 35 HG22 VAL 35 12.134 -12.362 6.291 249 HG23 VAL 35 HG23 VAL 35 12.734 -12.920 4.729 250 H GLY 36 H GLY 36 14.135 -8.655 7.650 251 HA2 GLY 36 HA2 GLY 36 13.063 -9.988 9.935 252 HA3 GLY 36 HA3 GLY 36 13.955 -8.474 9.940 253 H LEU 37 H LEU 37 11.657 -7.838 7.797 254 HA LEU 37 HA LEU 37 9.984 -6.525 9.786 255 HB2 LEU 37 HB2 LEU 37 10.067 -6.306 6.781 256 HB3 LEU 37 HB3 LEU 37 9.003 -5.367 7.827 257 HG LEU 37 HG LEU 37 12.015 -5.221 7.727 258 HD11 LEU 37 HD11 LEU 37 9.815 -3.672 6.516 259 HD12 LEU 37 HD12 LEU 37 11.466 -3.934 5.956 260 HD13 LEU 37 HD13 LEU 37 11.140 -2.741 7.213 261 HD21 LEU 37 HD21 LEU 37 10.016 -4.191 9.663 262 HD22 LEU 37 HD22 LEU 37 11.345 -3.123 9.209 263 HD23 LEU 37 HD23 LEU 37 11.685 -4.703 9.918 264 H LEU 38 H LEU 38 9.840 -9.092 7.435 265 HA LEU 38 HA LEU 38 6.989 -9.489 8.052 266 HB2 LEU 38 HB2 LEU 38 6.623 -10.175 5.943 267 HB3 LEU 38 HB3 LEU 38 8.074 -9.230 5.615 268 HG LEU 38 HG LEU 38 7.994 -12.218 6.028 269 HD11 LEU 38 HD11 LEU 38 7.467 -10.579 3.719 270 HD12 LEU 38 HD12 LEU 38 7.341 -12.328 3.910 271 HD13 LEU 38 HD13 LEU 38 8.882 -11.600 3.460 272 HD21 LEU 38 HD21 LEU 38 10.145 -11.793 6.584 273 HD22 LEU 38 HD22 LEU 38 10.167 -10.233 5.761 274 HD23 LEU 38 HD23 LEU 38 10.340 -11.723 4.832 275 H GLY 39 H GLY 39 9.964 -10.556 8.931 276 HA2 GLY 39 HA2 GLY 39 9.672 -13.373 8.896 277 HA3 GLY 39 HA3 GLY 39 10.770 -12.465 9.924 278 H LYS 40 H LYS 40 8.395 -10.923 10.980 279 HA LYS 40 HA LYS 40 7.745 -12.826 13.083 280 HB2 LYS 40 HB2 LYS 40 7.283 -9.857 12.794 281 HB3 LYS 40 HB3 LYS 40 6.690 -10.795 14.159 282 HG2 LYS 40 HG2 LYS 40 9.128 -11.512 14.478 283 HG3 LYS 40 HG3 LYS 40 9.520 -10.173 13.397 284 HD2 LYS 40 HD2 LYS 40 7.821 -9.832 15.858 285 HD3 LYS 40 HD3 LYS 40 9.579 -9.675 15.885 286 HE2 LYS 40 HE2 LYS 40 9.416 -7.918 14.161 287 HE3 LYS 40 HE3 LYS 40 7.659 -8.049 14.220 288 HZ1 LYS 40 HZ1 LYS 40 9.088 -6.333 15.689 289 HZ2 LYS 40 HZ2 LYS 40 8.945 -7.619 16.777 290 HZ3 LYS 40 HZ3 LYS 40 7.557 -6.903 16.128 291 H LEU 41 H LEU 41 6.260 -11.267 10.367 292 HA LEU 41 HA LEU 41 3.554 -11.746 11.184 293 HB2 LEU 41 HB2 LEU 41 4.908 -10.777 8.718 294 HB3 LEU 41 HB3 LEU 41 3.250 -11.360 8.591 295 HG LEU 41 HG LEU 41 3.892 -9.304 10.652 296 HD11 LEU 41 HD11 LEU 41 4.652 -7.852 9.153 297 HD12 LEU 41 HD12 LEU 41 3.049 -7.882 8.419 298 HD13 LEU 41 HD13 LEU 41 4.314 -8.953 7.817 299 HD21 LEU 41 HD21 LEU 41 1.646 -10.496 10.288 300 HD22 LEU 41 HD22 LEU 41 1.501 -9.486 8.850 301 HD23 LEU 41 HD23 LEU 41 1.639 -8.739 10.442 302 H PHE 42 H PHE 42 5.900 -13.373 9.114 303 HA PHE 42 HA PHE 42 3.990 -15.584 8.758 304 HB2 PHE 42 HB2 PHE 42 6.440 -14.855 7.139 305 HB3 PHE 42 HB3 PHE 42 5.435 -16.272 6.855 306 HD1 PHE 42 HD1 PHE 42 3.548 -16.136 5.500 307 HD2 PHE 42 HD2 PHE 42 5.345 -12.566 6.963 308 HE1 PHE 42 HE1 PHE 42 2.081 -14.804 4.042 309 HE2 PHE 42 HE2 PHE 42 3.880 -11.228 5.508 310 HZ PHE 42 HZ PHE 42 2.244 -12.346 4.046 311 H GLY 43 H GLY 43 7.547 -15.355 8.726 312 HA2 GLY 43 HA2 GLY 43 8.638 -16.309 10.811 313 HA3 GLY 43 HA3 GLY 43 7.596 -17.695 10.526 314 H PHE 44 H PHE 44 10.351 -15.880 9.338 315 HA PHE 44 HA PHE 44 11.003 -18.098 7.522 316 HB2 PHE 44 HB2 PHE 44 11.584 -15.176 7.491 317 HB3 PHE 44 HB3 PHE 44 12.782 -16.256 6.786 318 HD1 PHE 44 HD1 PHE 44 11.435 -18.236 5.356 319 HD2 PHE 44 HD2 PHE 44 10.266 -14.181 5.912 320 HE1 PHE 44 HE1 PHE 44 10.126 -18.332 3.275 321 HE2 PHE 44 HE2 PHE 44 8.954 -14.271 3.833 322 HZ PHE 44 HZ PHE 44 8.882 -16.348 2.512 Start of MODEL 3 1 H MET 1 H MET 1 -0.812 -0.696 -6.133 2 HA MET 1 HA MET 1 1.036 -2.430 -7.076 3 HB2 MET 1 HB2 MET 1 1.153 0.518 -6.584 4 HB3 MET 1 HB3 MET 1 2.594 -0.313 -7.154 5 HG2 MET 1 HG2 MET 1 1.691 0.299 -9.143 6 HG3 MET 1 HG3 MET 1 0.924 -1.274 -8.943 7 HE1 MET 1 HE1 MET 1 -2.187 0.273 -10.439 8 HE2 MET 1 HE2 MET 1 -0.520 0.192 -11.011 9 HE3 MET 1 HE3 MET 1 -1.242 -1.197 -10.198 10 H THR 2 H THR 2 1.663 -3.890 -5.441 11 HA THR 2 HA THR 2 3.210 -2.914 -3.191 12 HB THR 2 HB THR 2 1.712 -4.788 -2.801 13 HG1 THR 2 HG1 THR 2 4.343 -5.846 -2.718 14 HG21 THR 2 HG21 THR 2 2.576 -5.669 -5.303 15 HG22 THR 2 HG22 THR 2 1.487 -6.513 -4.202 16 HG23 THR 2 HG23 THR 2 3.218 -6.849 -4.161 17 H GLY 3 H GLY 3 5.388 -3.037 -2.946 18 HA2 GLY 3 HA2 GLY 3 7.001 -4.586 -4.796 19 HA3 GLY 3 HA3 GLY 3 7.167 -2.843 -4.945 20 H LEU 4 H LEU 4 6.492 -4.096 -1.814 21 HA LEU 4 HA LEU 4 8.872 -3.016 -0.724 22 HB2 LEU 4 HB2 LEU 4 6.600 -4.638 0.307 23 HB3 LEU 4 HB3 LEU 4 8.063 -4.529 1.283 24 HG LEU 4 HG LEU 4 6.435 -2.166 0.351 25 HD11 LEU 4 HD11 LEU 4 5.457 -2.061 2.469 26 HD12 LEU 4 HD12 LEU 4 6.601 -3.214 3.156 27 HD13 LEU 4 HD13 LEU 4 5.361 -3.766 2.031 28 HD21 LEU 4 HD21 LEU 4 7.922 -1.377 2.494 29 HD22 LEU 4 HD22 LEU 4 8.350 -1.096 0.806 30 HD23 LEU 4 HD23 LEU 4 9.029 -2.476 1.671 31 H ALA 5 H ALA 5 7.772 -6.412 -0.812 32 HA ALA 5 HA ALA 5 10.598 -7.233 -0.737 33 HB1 ALA 5 HB1 ALA 5 8.147 -8.809 0.040 34 HB2 ALA 5 HB2 ALA 5 9.818 -9.363 0.157 35 HB3 ALA 5 HB3 ALA 5 9.263 -8.018 1.153 36 H GLU 6 H GLU 6 7.663 -7.363 -2.565 37 HA GLU 6 HA GLU 6 8.081 -9.592 -4.168 38 HB2 GLU 6 HB2 GLU 6 6.620 -7.015 -4.515 39 HB3 GLU 6 HB3 GLU 6 6.856 -8.032 -5.930 40 HG2 GLU 6 HG2 GLU 6 5.913 -9.908 -4.382 41 HG3 GLU 6 HG3 GLU 6 5.258 -8.548 -3.471 42 H ALA 7 H ALA 7 9.272 -6.281 -4.560 43 HA ALA 7 HA ALA 7 10.444 -6.511 -7.066 44 HB1 ALA 7 HB1 ALA 7 10.610 -4.355 -6.477 45 HB2 ALA 7 HB2 ALA 7 10.731 -4.731 -4.758 46 HB3 ALA 7 HB3 ALA 7 12.161 -4.832 -5.785 47 H ILE 8 H ILE 8 12.021 -6.960 -3.896 48 HA ILE 8 HA ILE 8 14.497 -7.806 -4.890 49 HB ILE 8 HB ILE 8 13.204 -8.562 -2.267 50 HG12 ILE 8 HG12 ILE 8 15.066 -6.658 -1.694 51 HG13 ILE 8 HG13 ILE 8 14.500 -6.106 -3.266 52 HG21 ILE 8 HG21 ILE 8 16.124 -8.533 -3.012 53 HG22 ILE 8 HG22 ILE 8 15.424 -9.040 -1.476 54 HG23 ILE 8 HG23 ILE 8 15.124 -9.983 -2.935 55 HD11 ILE 8 HD11 ILE 8 12.393 -5.654 -2.499 56 HD12 ILE 8 HD12 ILE 8 12.503 -6.822 -1.182 57 HD13 ILE 8 HD13 ILE 8 13.360 -5.285 -1.071 58 H ALA 9 H ALA 9 11.562 -9.603 -4.136 59 HA ALA 9 HA ALA 9 12.792 -12.166 -4.630 60 HB1 ALA 9 HB1 ALA 9 10.010 -12.469 -4.689 61 HB2 ALA 9 HB2 ALA 9 11.099 -12.793 -3.339 62 HB3 ALA 9 HB3 ALA 9 10.332 -11.213 -3.494 63 H ASN 10 H ASN 10 11.964 -9.739 -6.637 64 HA ASN 10 HA ASN 10 10.653 -11.286 -8.701 65 HB2 ASN 10 HB2 ASN 10 10.464 -8.704 -8.145 66 HB3 ASN 10 HB3 ASN 10 11.844 -8.598 -9.234 67 HD21 ASN 10 HD21 ASN 10 10.387 -7.329 -10.550 68 HD22 ASN 10 HD22 ASN 10 9.292 -8.134 -11.617 69 H THR 11 H THR 11 13.845 -10.635 -7.714 70 HA THR 11 HA THR 11 14.901 -11.458 -10.338 71 HB THR 11 HB THR 11 15.715 -9.262 -9.487 72 HG1 THR 11 HG1 THR 11 17.587 -11.392 -9.755 73 HG21 THR 11 HG21 THR 11 16.690 -8.975 -7.469 74 HG22 THR 11 HG22 THR 11 17.499 -10.542 -7.523 75 HG23 THR 11 HG23 THR 11 15.804 -10.440 -7.047 76 H VAL 12 H VAL 12 14.806 -12.188 -6.929 77 HA VAL 12 HA VAL 12 16.898 -13.957 -6.630 78 HB VAL 12 HB VAL 12 15.655 -15.007 -4.839 79 HG11 VAL 12 HG11 VAL 12 15.818 -12.118 -5.161 80 HG12 VAL 12 HG12 VAL 12 14.601 -12.615 -3.983 81 HG13 VAL 12 HG13 VAL 12 16.277 -13.133 -3.794 82 HG21 VAL 12 HG21 VAL 12 13.282 -13.739 -6.170 83 HG22 VAL 12 HG22 VAL 12 13.529 -15.429 -5.730 84 HG23 VAL 12 HG23 VAL 12 13.247 -14.222 -4.475 85 H GLN 13 H GLN 13 13.859 -14.418 -8.286 86 HA GLN 13 HA GLN 13 13.686 -17.167 -8.433 87 HB2 GLN 13 HB2 GLN 13 12.983 -15.044 -10.453 88 HB3 GLN 13 HB3 GLN 13 12.621 -16.746 -10.711 89 HG2 GLN 13 HG2 GLN 13 11.714 -15.852 -8.119 90 HG3 GLN 13 HG3 GLN 13 11.035 -14.876 -9.421 91 HE21 GLN 13 HE21 GLN 13 10.590 -16.531 -11.418 92 HE22 GLN 13 HE22 GLN 13 9.519 -17.811 -10.971 93 H ALA 14 H ALA 14 15.875 -15.012 -10.081 94 HA ALA 14 HA ALA 14 17.186 -17.356 -11.289 95 HB1 ALA 14 HB1 ALA 14 17.455 -14.791 -12.723 96 HB2 ALA 14 HB2 ALA 14 17.302 -16.434 -13.348 97 HB3 ALA 14 HB3 ALA 14 15.871 -15.564 -12.796 98 H ALA 15 H ALA 15 17.613 -15.684 -8.807 99 HA ALA 15 HA ALA 15 20.460 -15.143 -9.289 100 HB1 ALA 15 HB1 ALA 15 18.545 -13.164 -8.790 101 HB2 ALA 15 HB2 ALA 15 19.433 -13.365 -7.279 102 HB3 ALA 15 HB3 ALA 15 20.300 -12.991 -8.768 103 H GLN 16 H GLN 16 17.943 -15.590 -6.817 104 HA GLN 16 HA GLN 16 17.937 -16.707 -4.836 105 HB2 GLN 16 HB2 GLN 16 20.457 -18.060 -5.799 106 HB3 GLN 16 HB3 GLN 16 19.316 -18.655 -4.600 107 HG2 GLN 16 HG2 GLN 16 17.604 -18.584 -6.525 108 HG3 GLN 16 HG3 GLN 16 19.022 -18.505 -7.570 109 HE21 GLN 16 HE21 GLN 16 16.877 -20.581 -6.938 110 HE22 GLN 16 HE22 GLN 16 17.779 -22.031 -6.677 111 H GLN 17 H GLN 17 19.143 -14.172 -4.909 112 HA GLN 17 HA GLN 17 20.354 -12.772 -3.587 113 HB2 GLN 17 HB2 GLN 17 20.911 -15.126 -1.790 114 HB3 GLN 17 HB3 GLN 17 20.841 -13.423 -1.356 115 HG2 GLN 17 HG2 GLN 17 18.422 -13.435 -1.870 116 HG3 GLN 17 HG3 GLN 17 18.530 -15.169 -2.169 117 HE21 GLN 17 HE21 GLN 17 16.850 -15.115 -0.453 118 HE22 GLN 17 HE22 GLN 17 17.380 -15.192 1.190 119 H HIS 18 H HIS 18 21.643 -14.040 -5.759 120 HA HIS 18 HA HIS 18 24.380 -14.403 -4.736 121 HB2 HIS 18 HB2 HIS 18 23.633 -16.346 -5.957 122 HB3 HIS 18 HB3 HIS 18 23.106 -15.349 -7.309 123 HD1 HIS 18 HD1 HIS 18 24.849 -14.687 -9.027 124 HD2 HIS 18 HD2 HIS 18 26.461 -16.644 -5.736 125 HE1 HIS 18 HE1 HIS 18 27.233 -15.194 -9.647 126 H ASP 19 H ASP 19 22.867 -13.278 -7.765 127 HA ASP 19 HA ASP 19 24.964 -11.642 -8.579 128 HB2 ASP 19 HB2 ASP 19 23.159 -12.285 -10.086 129 HB3 ASP 19 HB3 ASP 19 22.005 -11.349 -9.139 130 H SER 20 H SER 20 22.274 -10.980 -6.421 131 HA SER 20 HA SER 20 22.443 -8.206 -6.275 132 HB2 SER 20 HB2 SER 20 21.375 -8.431 -4.056 133 HB3 SER 20 HB3 SER 20 20.605 -9.462 -5.262 134 HG SER 20 HG SER 20 22.583 -10.326 -3.418 135 H VAL 21 H VAL 21 24.449 -10.673 -4.850 136 HA VAL 21 HA VAL 21 25.727 -9.063 -2.901 137 HB VAL 21 HB VAL 21 26.862 -11.494 -4.287 138 HG11 VAL 21 HG11 VAL 21 27.475 -10.215 -1.625 139 HG12 VAL 21 HG12 VAL 21 28.132 -11.754 -2.187 140 HG13 VAL 21 HG13 VAL 21 28.527 -10.261 -3.039 141 HG21 VAL 21 HG21 VAL 21 24.880 -12.322 -3.447 142 HG22 VAL 21 HG22 VAL 21 25.973 -12.576 -2.087 143 HG23 VAL 21 HG23 VAL 21 24.866 -11.203 -2.084 144 H LYS 22 H LYS 22 26.221 -9.542 -6.316 145 HA LYS 22 HA LYS 22 28.774 -8.135 -6.274 146 HB2 LYS 22 HB2 LYS 22 27.200 -9.514 -8.441 147 HB3 LYS 22 HB3 LYS 22 28.612 -8.529 -8.800 148 HG2 LYS 22 HG2 LYS 22 29.891 -10.002 -7.198 149 HG3 LYS 22 HG3 LYS 22 28.485 -11.069 -7.203 150 HD2 LYS 22 HD2 LYS 22 29.651 -10.210 -9.809 151 HD3 LYS 22 HD3 LYS 22 30.484 -11.451 -8.871 152 HE2 LYS 22 HE2 LYS 22 28.565 -12.867 -8.905 153 HE3 LYS 22 HE3 LYS 22 27.561 -11.588 -9.584 154 HZ1 LYS 22 HZ1 LYS 22 28.447 -11.859 -11.652 155 HZ2 LYS 22 HZ2 LYS 22 28.565 -13.450 -11.093 156 HZ3 LYS 22 HZ3 LYS 22 29.928 -12.448 -11.083 157 H LEU 23 H LEU 23 25.429 -7.561 -6.936 158 HA LEU 23 HA LEU 23 25.948 -4.738 -7.261 159 HB2 LEU 23 HB2 LEU 23 26.031 -5.979 -9.558 160 HB3 LEU 23 HB3 LEU 23 24.276 -5.996 -9.393 161 HG LEU 23 HG LEU 23 25.052 -4.144 -10.793 162 HD11 LEU 23 HD11 LEU 23 23.834 -2.357 -9.669 163 HD12 LEU 23 HD12 LEU 23 23.916 -3.246 -8.148 164 HD13 LEU 23 HD13 LEU 23 22.994 -3.899 -9.502 165 HD21 LEU 23 HD21 LEU 23 27.069 -3.926 -8.856 166 HD22 LEU 23 HD22 LEU 23 26.111 -2.451 -8.731 167 HD23 LEU 23 HD23 LEU 23 26.825 -2.911 -10.278 168 H GLY 24 H GLY 24 24.688 -4.168 -5.572 169 HA2 GLY 24 HA2 GLY 24 22.161 -3.537 -5.535 170 HA3 GLY 24 HA3 GLY 24 21.976 -5.279 -5.398 171 H THR 25 H THR 25 23.490 -2.475 -3.847 172 HA THR 25 HA THR 25 24.075 -3.814 -1.411 173 HB THR 25 HB THR 25 25.281 -1.791 -2.013 174 HG1 THR 25 HG1 THR 25 24.450 -2.343 0.316 175 HG21 THR 25 HG21 THR 25 23.449 -0.639 -3.189 176 HG22 THR 25 HG22 THR 25 24.214 0.399 -1.987 177 HG23 THR 25 HG23 THR 25 22.654 -0.347 -1.643 178 H SER 26 H SER 26 21.325 -1.966 -2.584 179 HA SER 26 HA SER 26 20.010 -2.001 -0.004 180 HB2 SER 26 HB2 SER 26 18.808 -1.183 -2.652 181 HB3 SER 26 HB3 SER 26 18.280 -0.714 -1.036 182 HG SER 26 HG SER 26 20.482 0.176 -2.525 183 H ILE 27 H ILE 27 20.562 -4.332 -2.158 184 HA ILE 27 HA ILE 27 17.884 -5.528 -1.972 185 HB ILE 27 HB ILE 27 20.061 -6.762 -3.598 186 HG12 ILE 27 HG12 ILE 27 20.185 -4.415 -4.230 187 HG13 ILE 27 HG13 ILE 27 19.424 -5.338 -5.522 188 HG21 ILE 27 HG21 ILE 27 17.092 -6.730 -3.529 189 HG22 ILE 27 HG22 ILE 27 17.886 -6.992 -5.081 190 HG23 ILE 27 HG23 ILE 27 18.205 -8.082 -3.732 191 HD11 ILE 27 HD11 ILE 27 17.265 -4.524 -4.916 192 HD12 ILE 27 HD12 ILE 27 17.908 -3.756 -3.465 193 HD13 ILE 27 HD13 ILE 27 18.359 -3.148 -5.057 194 H VAL 28 H VAL 28 21.320 -6.424 -1.651 195 HA VAL 28 HA VAL 28 20.919 -8.942 -0.504 196 HB VAL 28 HB VAL 28 23.212 -8.841 0.251 197 HG11 VAL 28 HG11 VAL 28 23.599 -7.319 -2.216 198 HG12 VAL 28 HG12 VAL 28 24.045 -8.981 -1.824 199 HG13 VAL 28 HG13 VAL 28 22.402 -8.608 -2.348 200 HG21 VAL 28 HG21 VAL 28 24.344 -6.494 -0.368 201 HG22 VAL 28 HG22 VAL 28 22.742 -5.925 0.099 202 HG23 VAL 28 HG23 VAL 28 23.711 -6.861 1.236 203 H ASP 29 H ASP 29 20.571 -5.791 0.830 204 HA ASP 29 HA ASP 29 20.666 -6.777 3.577 205 HB2 ASP 29 HB2 ASP 29 20.351 -3.998 2.432 206 HB3 ASP 29 HB3 ASP 29 20.294 -4.357 4.156 207 H ILE 30 H ILE 30 18.528 -7.389 1.508 208 HA ILE 30 HA ILE 30 16.228 -6.542 3.146 209 HB ILE 30 HB ILE 30 16.295 -6.959 0.156 210 HG12 ILE 30 HG12 ILE 30 17.243 -4.812 0.919 211 HG13 ILE 30 HG13 ILE 30 15.740 -4.584 0.032 212 HG21 ILE 30 HG21 ILE 30 14.145 -7.507 0.365 213 HG22 ILE 30 HG22 ILE 30 14.117 -7.053 2.068 214 HG23 ILE 30 HG23 ILE 30 13.865 -5.828 0.826 215 HD11 ILE 30 HD11 ILE 30 15.105 -4.848 2.781 216 HD12 ILE 30 HD12 ILE 30 16.417 -3.681 2.622 217 HD13 ILE 30 HD13 ILE 30 14.914 -3.445 1.730 218 H VAL 31 H VAL 31 17.721 -9.078 1.229 219 HA VAL 31 HA VAL 31 15.626 -10.988 1.695 220 HB VAL 31 HB VAL 31 17.186 -12.630 0.714 221 HG11 VAL 31 HG11 VAL 31 17.112 -10.083 -0.895 222 HG12 VAL 31 HG12 VAL 31 17.185 -11.736 -1.508 223 HG13 VAL 31 HG13 VAL 31 15.734 -11.163 -0.685 224 HG21 VAL 31 HG21 VAL 31 19.263 -11.219 -0.335 225 HG22 VAL 31 HG22 VAL 31 19.105 -10.480 1.258 226 HG23 VAL 31 HG23 VAL 31 19.358 -12.219 1.114 227 H ALA 32 H ALA 32 18.583 -10.055 3.274 228 HA ALA 32 HA ALA 32 18.299 -12.298 5.159 229 HB1 ALA 32 HB1 ALA 32 20.705 -10.527 4.759 230 HB2 ALA 32 HB2 ALA 32 20.610 -11.992 5.737 231 HB3 ALA 32 HB3 ALA 32 20.475 -12.093 3.981 232 H ASN 33 H ASN 33 18.736 -8.795 4.940 233 HA ASN 33 HA ASN 33 18.377 -8.500 7.813 234 HB2 ASN 33 HB2 ASN 33 19.271 -6.745 5.588 235 HB3 ASN 33 HB3 ASN 33 18.480 -5.961 6.953 236 HD21 ASN 33 HD21 ASN 33 20.924 -5.181 6.622 237 HD22 ASN 33 HD22 ASN 33 22.021 -5.913 7.738 238 H GLY 34 H GLY 34 16.878 -7.044 4.914 239 HA2 GLY 34 HA2 GLY 34 14.666 -5.931 6.169 240 HA3 GLY 34 HA3 GLY 34 14.707 -6.435 4.486 241 H VAL 35 H VAL 35 15.288 -9.251 5.378 242 HA VAL 35 HA VAL 35 12.628 -10.195 5.350 243 HB VAL 35 HB VAL 35 14.595 -11.483 4.520 244 HG11 VAL 35 HG11 VAL 35 15.202 -12.614 7.148 245 HG12 VAL 35 HG12 VAL 35 16.283 -12.156 5.831 246 HG13 VAL 35 HG13 VAL 35 15.697 -10.933 6.958 247 HG21 VAL 35 HG21 VAL 35 13.711 -13.565 6.159 248 HG22 VAL 35 HG22 VAL 35 12.351 -12.449 6.048 249 HG23 VAL 35 HG23 VAL 35 13.073 -13.106 4.580 250 H GLY 36 H GLY 36 14.783 -9.322 7.922 251 HA2 GLY 36 HA2 GLY 36 13.658 -10.808 10.027 252 HA3 GLY 36 HA3 GLY 36 14.534 -9.295 10.203 253 H LEU 37 H LEU 37 12.419 -8.124 8.290 254 HA LEU 37 HA LEU 37 10.687 -7.185 10.390 255 HB2 LEU 37 HB2 LEU 37 11.159 -6.508 7.535 256 HB3 LEU 37 HB3 LEU 37 9.619 -6.042 8.254 257 HG LEU 37 HG LEU 37 10.814 -4.734 9.950 258 HD11 LEU 37 HD11 LEU 37 13.319 -4.314 9.234 259 HD12 LEU 37 HD12 LEU 37 13.172 -5.962 8.625 260 HD13 LEU 37 HD13 LEU 37 12.878 -5.623 10.331 261 HD21 LEU 37 HD21 LEU 37 11.219 -2.905 8.593 262 HD22 LEU 37 HD22 LEU 37 10.173 -3.899 7.578 263 HD23 LEU 37 HD23 LEU 37 11.916 -3.885 7.302 264 H LEU 38 H LEU 38 10.470 -9.373 7.668 265 HA LEU 38 HA LEU 38 7.599 -9.716 8.047 266 HB2 LEU 38 HB2 LEU 38 7.560 -10.834 6.015 267 HB3 LEU 38 HB3 LEU 38 8.786 -9.589 5.781 268 HG LEU 38 HG LEU 38 10.297 -11.706 6.607 269 HD11 LEU 38 HD11 LEU 38 7.798 -12.738 5.424 270 HD12 LEU 38 HD12 LEU 38 8.927 -13.499 6.545 271 HD13 LEU 38 HD13 LEU 38 9.301 -13.439 4.822 272 HD21 LEU 38 HD21 LEU 38 9.511 -11.042 3.771 273 HD22 LEU 38 HD22 LEU 38 10.975 -11.883 4.282 274 HD23 LEU 38 HD23 LEU 38 10.729 -10.192 4.721 275 H GLY 39 H GLY 39 10.605 -11.269 8.797 276 HA2 GLY 39 HA2 GLY 39 9.875 -13.913 9.132 277 HA3 GLY 39 HA3 GLY 39 11.073 -13.089 10.119 278 H LYS 40 H LYS 40 9.029 -11.164 11.099 279 HA LYS 40 HA LYS 40 7.968 -12.877 13.211 280 HB2 LYS 40 HB2 LYS 40 9.268 -10.641 13.540 281 HB3 LYS 40 HB3 LYS 40 7.724 -9.886 13.164 282 HG2 LYS 40 HG2 LYS 40 6.684 -10.852 15.055 283 HG3 LYS 40 HG3 LYS 40 8.046 -11.939 15.334 284 HD2 LYS 40 HD2 LYS 40 9.396 -9.706 15.553 285 HD3 LYS 40 HD3 LYS 40 7.806 -9.012 15.879 286 HE2 LYS 40 HE2 LYS 40 7.511 -10.782 17.639 287 HE3 LYS 40 HE3 LYS 40 9.204 -11.208 17.395 288 HZ1 LYS 40 HZ1 LYS 40 9.590 -8.706 17.825 289 HZ2 LYS 40 HZ2 LYS 40 9.306 -9.732 19.139 290 HZ3 LYS 40 HZ3 LYS 40 8.060 -8.753 18.547 291 H LEU 41 H LEU 41 6.896 -10.727 10.652 292 HA LEU 41 HA LEU 41 4.164 -10.636 11.410 293 HB2 LEU 41 HB2 LEU 41 5.586 -9.213 9.701 294 HB3 LEU 41 HB3 LEU 41 4.980 -10.409 8.556 295 HG LEU 41 HG LEU 41 3.106 -8.872 10.325 296 HD11 LEU 41 HD11 LEU 41 4.262 -7.996 7.685 297 HD12 LEU 41 HD12 LEU 41 4.388 -7.167 9.235 298 HD13 LEU 41 HD13 LEU 41 2.825 -7.293 8.428 299 HD21 LEU 41 HD21 LEU 41 1.474 -9.470 8.743 300 HD22 LEU 41 HD22 LEU 41 2.432 -10.930 8.991 301 HD23 LEU 41 HD23 LEU 41 2.683 -9.944 7.550 302 H PHE 42 H PHE 42 5.827 -12.486 8.853 303 HA PHE 42 HA PHE 42 3.493 -14.174 8.506 304 HB2 PHE 42 HB2 PHE 42 6.197 -14.238 7.149 305 HB3 PHE 42 HB3 PHE 42 4.812 -15.229 6.701 306 HD1 PHE 42 HD1 PHE 42 3.174 -14.418 5.244 307 HD2 PHE 42 HD2 PHE 42 6.001 -11.731 6.949 308 HE1 PHE 42 HE1 PHE 42 2.389 -12.640 3.735 309 HE2 PHE 42 HE2 PHE 42 5.219 -9.948 5.445 310 HZ PHE 42 HZ PHE 42 3.411 -10.401 3.835 311 H GLY 43 H GLY 43 6.931 -15.065 8.758 312 HA2 GLY 43 HA2 GLY 43 6.905 -16.456 11.131 313 HA3 GLY 43 HA3 GLY 43 6.296 -17.591 9.936 314 H PHE 44 H PHE 44 7.994 -16.332 7.828 315 HA PHE 44 HA PHE 44 10.538 -17.576 8.638 316 HB2 PHE 44 HB2 PHE 44 10.859 -17.786 6.092 317 HB3 PHE 44 HB3 PHE 44 9.696 -18.861 6.861 318 HD1 PHE 44 HD1 PHE 44 7.725 -19.171 5.747 319 HD2 PHE 44 HD2 PHE 44 9.735 -15.439 5.366 320 HE1 PHE 44 HE1 PHE 44 5.980 -18.393 4.196 321 HE2 PHE 44 HE2 PHE 44 7.993 -14.655 3.815 322 HZ PHE 44 HZ PHE 44 6.112 -16.132 3.229 Start of MODEL 4 1 H MET 1 H MET 1 0.933 -6.510 -0.330 2 HA MET 1 HA MET 1 2.748 -6.968 -2.606 3 HB2 MET 1 HB2 MET 1 -0.235 -6.511 -2.583 4 HB3 MET 1 HB3 MET 1 0.743 -6.395 -4.040 5 HG2 MET 1 HG2 MET 1 1.390 -8.712 -3.834 6 HG3 MET 1 HG3 MET 1 0.516 -8.846 -2.310 7 HE1 MET 1 HE1 MET 1 -0.497 -10.959 -5.102 8 HE2 MET 1 HE2 MET 1 -0.158 -10.907 -3.372 9 HE3 MET 1 HE3 MET 1 -1.824 -11.022 -3.942 10 H THR 2 H THR 2 3.891 -5.140 -1.458 11 HA THR 2 HA THR 2 2.881 -2.589 -2.517 12 HB THR 2 HB THR 2 4.029 -1.532 -0.452 13 HG1 THR 2 HG1 THR 2 4.756 -3.822 0.142 14 HG21 THR 2 HG21 THR 2 1.511 -1.788 -1.008 15 HG22 THR 2 HG22 THR 2 1.980 -1.393 0.646 16 HG23 THR 2 HG23 THR 2 1.532 -3.046 0.227 17 H GLY 3 H GLY 3 4.921 -4.584 -3.413 18 HA2 GLY 3 HA2 GLY 3 7.011 -4.566 -4.362 19 HA3 GLY 3 HA3 GLY 3 6.849 -2.816 -4.391 20 H LEU 4 H LEU 4 6.668 -4.398 -1.334 21 HA LEU 4 HA LEU 4 8.964 -2.985 -0.381 22 HB2 LEU 4 HB2 LEU 4 6.981 -4.874 0.800 23 HB3 LEU 4 HB3 LEU 4 8.474 -4.538 1.674 24 HG LEU 4 HG LEU 4 6.527 -2.409 0.803 25 HD11 LEU 4 HD11 LEU 4 5.581 -4.080 2.433 26 HD12 LEU 4 HD12 LEU 4 5.617 -2.406 2.987 27 HD13 LEU 4 HD13 LEU 4 6.824 -3.554 3.568 28 HD21 LEU 4 HD21 LEU 4 9.038 -2.461 2.423 29 HD22 LEU 4 HD22 LEU 4 7.798 -1.251 2.753 30 HD23 LEU 4 HD23 LEU 4 8.542 -1.338 1.156 31 H ALA 5 H ALA 5 8.227 -6.478 -0.360 32 HA ALA 5 HA ALA 5 11.116 -6.984 -0.654 33 HB1 ALA 5 HB1 ALA 5 9.139 -8.916 0.525 34 HB2 ALA 5 HB2 ALA 5 10.900 -8.948 0.629 35 HB3 ALA 5 HB3 ALA 5 9.988 -7.713 1.496 36 H GLU 6 H GLU 6 7.933 -7.635 -1.876 37 HA GLU 6 HA GLU 6 8.327 -9.920 -3.382 38 HB2 GLU 6 HB2 GLU 6 6.558 -7.534 -3.655 39 HB3 GLU 6 HB3 GLU 6 6.665 -8.646 -5.013 40 HG2 GLU 6 HG2 GLU 6 6.234 -10.431 -3.108 41 HG3 GLU 6 HG3 GLU 6 5.491 -9.040 -2.321 42 H ALA 7 H ALA 7 9.109 -6.567 -4.190 43 HA ALA 7 HA ALA 7 9.849 -6.897 -6.848 44 HB1 ALA 7 HB1 ALA 7 10.792 -4.797 -6.729 45 HB2 ALA 7 HB2 ALA 7 9.666 -4.760 -5.371 46 HB3 ALA 7 HB3 ALA 7 11.384 -5.038 -5.085 47 H ILE 8 H ILE 8 11.948 -7.009 -3.966 48 HA ILE 8 HA ILE 8 14.285 -7.742 -5.365 49 HB ILE 8 HB ILE 8 13.661 -8.349 -2.476 50 HG12 ILE 8 HG12 ILE 8 13.260 -5.987 -2.901 51 HG13 ILE 8 HG13 ILE 8 14.753 -6.179 -1.988 52 HG21 ILE 8 HG21 ILE 8 16.347 -7.759 -3.671 53 HG22 ILE 8 HG22 ILE 8 15.966 -8.535 -2.135 54 HG23 ILE 8 HG23 ILE 8 15.683 -9.392 -3.650 55 HD11 ILE 8 HD11 ILE 8 15.737 -4.905 -3.503 56 HD12 ILE 8 HD12 ILE 8 15.524 -6.216 -4.663 57 HD13 ILE 8 HD13 ILE 8 14.312 -4.941 -4.540 58 H ALA 9 H ALA 9 11.670 -9.604 -3.955 59 HA ALA 9 HA ALA 9 13.011 -12.134 -4.282 60 HB1 ALA 9 HB1 ALA 9 10.173 -12.409 -3.984 61 HB2 ALA 9 HB2 ALA 9 11.461 -12.838 -2.857 62 HB3 ALA 9 HB3 ALA 9 10.784 -11.209 -2.844 63 H ASN 10 H ASN 10 11.760 -10.043 -6.456 64 HA ASN 10 HA ASN 10 10.363 -11.935 -8.140 65 HB2 ASN 10 HB2 ASN 10 9.958 -9.357 -7.895 66 HB3 ASN 10 HB3 ASN 10 11.259 -9.231 -9.076 67 HD21 ASN 10 HD21 ASN 10 7.968 -9.742 -8.592 68 HD22 ASN 10 HD22 ASN 10 7.542 -10.183 -10.208 69 H THR 11 H THR 11 13.575 -11.047 -7.590 70 HA THR 11 HA THR 11 14.396 -12.100 -10.218 71 HB THR 11 HB THR 11 15.111 -9.758 -9.776 72 HG1 THR 11 HG1 THR 11 17.395 -11.433 -9.764 73 HG21 THR 11 HG21 THR 11 16.157 -9.118 -7.900 74 HG22 THR 11 HG22 THR 11 17.242 -10.509 -7.931 75 HG23 THR 11 HG23 THR 11 15.633 -10.660 -7.226 76 H VAL 12 H VAL 12 14.615 -12.451 -6.783 77 HA VAL 12 HA VAL 12 16.920 -13.996 -6.523 78 HB VAL 12 HB VAL 12 15.999 -14.834 -4.451 79 HG11 VAL 12 HG11 VAL 12 15.886 -12.014 -5.187 80 HG12 VAL 12 HG12 VAL 12 14.900 -12.412 -3.779 81 HG13 VAL 12 HG13 VAL 12 16.622 -12.792 -3.786 82 HG21 VAL 12 HG21 VAL 12 13.575 -14.014 -3.926 83 HG22 VAL 12 HG22 VAL 12 13.404 -14.016 -5.682 84 HG23 VAL 12 HG23 VAL 12 13.826 -15.504 -4.836 85 H GLN 13 H GLN 13 13.863 -14.778 -7.906 86 HA GLN 13 HA GLN 13 13.677 -17.508 -7.575 87 HB2 GLN 13 HB2 GLN 13 13.004 -15.840 -10.002 88 HB3 GLN 13 HB3 GLN 13 12.521 -17.518 -9.798 89 HG2 GLN 13 HG2 GLN 13 11.627 -16.399 -7.482 90 HG3 GLN 13 HG3 GLN 13 11.407 -15.082 -8.633 91 HE21 GLN 13 HE21 GLN 13 9.721 -17.306 -7.187 92 HE22 GLN 13 HE22 GLN 13 8.628 -17.795 -8.433 93 H ALA 14 H ALA 14 15.684 -15.692 -9.833 94 HA ALA 14 HA ALA 14 16.995 -18.220 -10.598 95 HB1 ALA 14 HB1 ALA 14 16.887 -17.647 -12.744 96 HB2 ALA 14 HB2 ALA 14 15.795 -16.348 -12.262 97 HB3 ALA 14 HB3 ALA 14 17.524 -16.036 -12.416 98 H ALA 15 H ALA 15 17.393 -14.976 -9.421 99 HA ALA 15 HA ALA 15 20.251 -14.917 -9.708 100 HB1 ALA 15 HB1 ALA 15 18.763 -12.891 -9.669 101 HB2 ALA 15 HB2 ALA 15 18.577 -13.153 -7.935 102 HB3 ALA 15 HB3 ALA 15 20.171 -12.815 -8.609 103 H GLN 16 H GLN 16 17.966 -15.625 -7.113 104 HA GLN 16 HA GLN 16 18.243 -16.439 -5.000 105 HB2 GLN 16 HB2 GLN 16 20.635 -17.853 -6.180 106 HB3 GLN 16 HB3 GLN 16 19.658 -18.368 -4.811 107 HG2 GLN 16 HG2 GLN 16 17.762 -18.744 -6.272 108 HG3 GLN 16 HG3 GLN 16 18.690 -18.162 -7.653 109 HE21 GLN 16 HE21 GLN 16 18.139 -20.777 -5.466 110 HE22 GLN 16 HE22 GLN 16 19.115 -21.945 -6.282 111 H GLN 17 H GLN 17 19.522 -13.922 -5.527 112 HA GLN 17 HA GLN 17 20.847 -12.437 -4.420 113 HB2 GLN 17 HB2 GLN 17 21.650 -14.638 -2.531 114 HB3 GLN 17 HB3 GLN 17 21.577 -12.908 -2.222 115 HG2 GLN 17 HG2 GLN 17 19.111 -13.025 -2.462 116 HG3 GLN 17 HG3 GLN 17 19.251 -14.776 -2.607 117 HE21 GLN 17 HE21 GLN 17 18.267 -15.414 -0.780 118 HE22 GLN 17 HE22 GLN 17 18.791 -15.001 0.813 119 H HIS 18 H HIS 18 21.859 -13.839 -6.639 120 HA HIS 18 HA HIS 18 24.619 -14.510 -5.990 121 HB2 HIS 18 HB2 HIS 18 22.889 -14.796 -8.417 122 HB3 HIS 18 HB3 HIS 18 24.640 -14.823 -8.600 123 HD1 HIS 18 HD1 HIS 18 22.406 -17.220 -8.880 124 HD2 HIS 18 HD2 HIS 18 25.289 -16.688 -5.936 125 HE1 HIS 18 HE1 HIS 18 22.797 -19.504 -7.901 126 H ASP 19 H ASP 19 23.228 -12.584 -8.642 127 HA ASP 19 HA ASP 19 25.507 -11.013 -9.041 128 HB2 ASP 19 HB2 ASP 19 22.685 -10.933 -9.912 129 HB3 ASP 19 HB3 ASP 19 23.535 -9.390 -9.959 130 H SER 20 H SER 20 22.934 -10.748 -6.739 131 HA SER 20 HA SER 20 23.136 -8.022 -6.096 132 HB2 SER 20 HB2 SER 20 21.807 -8.501 -4.228 133 HB3 SER 20 HB3 SER 20 21.372 -9.780 -5.361 134 HG SER 20 HG SER 20 21.792 -10.604 -3.272 135 H VAL 21 H VAL 21 24.794 -10.862 -4.769 136 HA VAL 21 HA VAL 21 26.208 -9.600 -2.724 137 HB VAL 21 HB VAL 21 27.077 -11.959 -4.399 138 HG11 VAL 21 HG11 VAL 21 29.015 -11.278 -3.306 139 HG12 VAL 21 HG12 VAL 21 28.138 -10.773 -1.860 140 HG13 VAL 21 HG13 VAL 21 28.339 -12.489 -2.217 141 HG21 VAL 21 HG21 VAL 21 24.844 -12.017 -3.109 142 HG22 VAL 21 HG22 VAL 21 25.976 -13.353 -2.895 143 HG23 VAL 21 HG23 VAL 21 25.856 -12.093 -1.666 144 H LYS 22 H LYS 22 26.684 -9.548 -6.148 145 HA LYS 22 HA LYS 22 29.360 -8.397 -5.874 146 HB2 LYS 22 HB2 LYS 22 28.915 -10.174 -7.580 147 HB3 LYS 22 HB3 LYS 22 27.835 -9.055 -8.400 148 HG2 LYS 22 HG2 LYS 22 29.554 -7.718 -9.135 149 HG3 LYS 22 HG3 LYS 22 30.647 -8.233 -7.849 150 HD2 LYS 22 HD2 LYS 22 29.716 -10.224 -9.871 151 HD3 LYS 22 HD3 LYS 22 30.991 -9.082 -10.302 152 HE2 LYS 22 HE2 LYS 22 32.265 -10.787 -9.477 153 HE3 LYS 22 HE3 LYS 22 31.996 -9.874 -7.993 154 HZ1 LYS 22 HZ1 LYS 22 30.708 -11.483 -7.134 155 HZ2 LYS 22 HZ2 LYS 22 31.519 -12.482 -8.232 156 HZ3 LYS 22 HZ3 LYS 22 29.988 -11.872 -8.615 157 H LEU 23 H LEU 23 26.082 -7.515 -6.521 158 HA LEU 23 HA LEU 23 26.667 -4.739 -6.309 159 HB2 LEU 23 HB2 LEU 23 27.231 -5.481 -8.750 160 HB3 LEU 23 HB3 LEU 23 25.481 -5.452 -8.956 161 HG LEU 23 HG LEU 23 26.533 -3.388 -9.742 162 HD11 LEU 23 HD11 LEU 23 25.082 -1.835 -8.605 163 HD12 LEU 23 HD12 LEU 23 24.908 -2.941 -7.243 164 HD13 LEU 23 HD13 LEU 23 24.243 -3.371 -8.818 165 HD21 LEU 23 HD21 LEU 23 28.304 -3.634 -7.773 166 HD22 LEU 23 HD22 LEU 23 27.178 -2.534 -6.976 167 HD23 LEU 23 HD23 LEU 23 27.922 -2.078 -8.510 168 H GLY 24 H GLY 24 25.059 -4.294 -4.939 169 HA2 GLY 24 HA2 GLY 24 22.484 -3.823 -5.557 170 HA3 GLY 24 HA3 GLY 24 22.460 -5.548 -5.223 171 H THR 25 H THR 25 23.370 -2.421 -3.823 172 HA THR 25 HA THR 25 23.669 -3.363 -1.173 173 HB THR 25 HB THR 25 24.634 -1.233 -1.856 174 HG1 THR 25 HG1 THR 25 23.537 -1.683 0.379 175 HG21 THR 25 HG21 THR 25 22.658 -0.662 -3.372 176 HG22 THR 25 HG22 THR 25 23.378 0.666 -2.460 177 HG23 THR 25 HG23 THR 25 21.866 -0.060 -1.916 178 H SER 26 H SER 26 20.916 -2.189 -3.008 179 HA SER 26 HA SER 26 19.199 -2.338 -0.646 180 HB2 SER 26 HB2 SER 26 19.077 -0.394 -2.268 181 HB3 SER 26 HB3 SER 26 18.401 -1.520 -3.445 182 HG SER 26 HG SER 26 17.045 -0.190 -1.730 183 H ILE 27 H ILE 27 20.389 -4.704 -2.019 184 HA ILE 27 HA ILE 27 17.865 -6.137 -2.501 185 HB ILE 27 HB ILE 27 20.437 -6.554 -4.029 186 HG12 ILE 27 HG12 ILE 27 18.610 -6.022 -5.917 187 HG13 ILE 27 HG13 ILE 27 17.910 -5.093 -4.596 188 HG21 ILE 27 HG21 ILE 27 19.700 -8.592 -4.499 189 HG22 ILE 27 HG22 ILE 27 18.281 -8.325 -3.489 190 HG23 ILE 27 HG23 ILE 27 18.238 -7.899 -5.199 191 HD11 ILE 27 HD11 ILE 27 19.231 -3.506 -5.539 192 HD12 ILE 27 HD12 ILE 27 20.382 -4.196 -4.394 193 HD13 ILE 27 HD13 ILE 27 20.433 -4.672 -6.091 194 H VAL 28 H VAL 28 21.249 -6.317 -1.511 195 HA VAL 28 HA VAL 28 21.040 -9.009 -0.534 196 HB VAL 28 HB VAL 28 23.277 -8.707 0.333 197 HG11 VAL 28 HG11 VAL 28 23.744 -7.225 -2.120 198 HG12 VAL 28 HG12 VAL 28 24.166 -8.888 -1.705 199 HG13 VAL 28 HG13 VAL 28 22.560 -8.515 -2.330 200 HG21 VAL 28 HG21 VAL 28 24.243 -6.285 -0.294 201 HG22 VAL 28 HG22 VAL 28 22.579 -5.844 0.092 202 HG23 VAL 28 HG23 VAL 28 23.572 -6.675 1.290 203 H ASP 29 H ASP 29 20.474 -5.844 0.740 204 HA ASP 29 HA ASP 29 20.335 -6.888 3.479 205 HB2 ASP 29 HB2 ASP 29 20.192 -4.025 2.507 206 HB3 ASP 29 HB3 ASP 29 20.253 -4.548 4.188 207 H ILE 30 H ILE 30 18.353 -7.408 1.323 208 HA ILE 30 HA ILE 30 15.989 -6.382 2.746 209 HB ILE 30 HB ILE 30 16.227 -6.737 -0.245 210 HG12 ILE 30 HG12 ILE 30 17.397 -4.739 0.541 211 HG13 ILE 30 HG13 ILE 30 15.933 -4.290 -0.327 212 HG21 ILE 30 HG21 ILE 30 14.016 -6.971 -0.195 213 HG22 ILE 30 HG22 ILE 30 13.952 -6.613 1.530 214 HG23 ILE 30 HG23 ILE 30 13.926 -5.298 0.355 215 HD11 ILE 30 HD11 ILE 30 15.267 -4.545 2.409 216 HD12 ILE 30 HD12 ILE 30 16.734 -3.573 2.291 217 HD13 ILE 30 HD13 ILE 30 15.285 -3.094 1.408 218 H VAL 31 H VAL 31 17.288 -8.900 0.618 219 HA VAL 31 HA VAL 31 15.069 -10.669 1.016 220 HB VAL 31 HB VAL 31 16.450 -10.757 -1.025 221 HG11 VAL 31 HG11 VAL 31 18.593 -11.986 0.699 222 HG12 VAL 31 HG12 VAL 31 18.675 -11.619 -1.025 223 HG13 VAL 31 HG13 VAL 31 18.614 -10.309 0.155 224 HG21 VAL 31 HG21 VAL 31 16.853 -13.403 0.281 225 HG22 VAL 31 HG22 VAL 31 15.212 -12.776 0.121 226 HG23 VAL 31 HG23 VAL 31 16.207 -13.019 -1.315 227 H ALA 32 H ALA 32 18.034 -10.017 2.666 228 HA ALA 32 HA ALA 32 17.613 -12.381 4.375 229 HB1 ALA 32 HB1 ALA 32 20.192 -10.854 4.128 230 HB2 ALA 32 HB2 ALA 32 19.929 -12.448 4.835 231 HB3 ALA 32 HB3 ALA 32 19.786 -12.223 3.092 232 H ASN 33 H ASN 33 18.431 -8.938 4.358 233 HA ASN 33 HA ASN 33 18.177 -8.785 7.251 234 HB2 ASN 33 HB2 ASN 33 19.162 -6.988 5.098 235 HB3 ASN 33 HB3 ASN 33 18.497 -6.219 6.536 236 HD21 ASN 33 HD21 ASN 33 19.604 -6.309 8.437 237 HD22 ASN 33 HD22 ASN 33 21.200 -6.955 8.581 238 H GLY 34 H GLY 34 16.726 -7.033 4.493 239 HA2 GLY 34 HA2 GLY 34 14.681 -5.780 5.887 240 HA3 GLY 34 HA3 GLY 34 14.607 -6.206 4.183 241 H VAL 35 H VAL 35 14.906 -9.092 4.822 242 HA VAL 35 HA VAL 35 12.160 -9.744 4.956 243 HB VAL 35 HB VAL 35 13.907 -11.144 3.844 244 HG11 VAL 35 HG11 VAL 35 14.565 -12.616 6.273 245 HG12 VAL 35 HG12 VAL 35 15.605 -12.093 4.946 246 HG13 VAL 35 HG13 VAL 35 15.211 -10.976 6.253 247 HG21 VAL 35 HG21 VAL 35 12.900 -13.269 5.351 248 HG22 VAL 35 HG22 VAL 35 11.676 -12.003 5.453 249 HG23 VAL 35 HG23 VAL 35 12.212 -12.586 3.878 250 H GLY 36 H GLY 36 14.566 -9.264 7.381 251 HA2 GLY 36 HA2 GLY 36 13.458 -10.842 9.451 252 HA3 GLY 36 HA3 GLY 36 14.534 -9.469 9.668 253 H LEU 37 H LEU 37 12.310 -8.009 7.990 254 HA LEU 37 HA LEU 37 10.861 -7.119 10.359 255 HB2 LEU 37 HB2 LEU 37 11.401 -6.005 7.655 256 HB3 LEU 37 HB3 LEU 37 9.955 -5.464 8.506 257 HG LEU 37 HG LEU 37 11.709 -5.024 10.445 258 HD11 LEU 37 HD11 LEU 37 13.680 -5.820 9.442 259 HD12 LEU 37 HD12 LEU 37 13.781 -4.063 9.340 260 HD13 LEU 37 HD13 LEU 37 13.333 -5.004 7.917 261 HD21 LEU 37 HD21 LEU 37 11.387 -2.824 10.008 262 HD22 LEU 37 HD22 LEU 37 10.213 -3.476 8.864 263 HD23 LEU 37 HD23 LEU 37 11.813 -2.985 8.303 264 H LEU 38 H LEU 38 10.310 -8.697 7.279 265 HA LEU 38 HA LEU 38 7.426 -8.685 7.653 266 HB2 LEU 38 HB2 LEU 38 7.347 -9.809 5.491 267 HB3 LEU 38 HB3 LEU 38 8.295 -8.325 5.420 268 HG LEU 38 HG LEU 38 10.313 -9.973 5.755 269 HD11 LEU 38 HD11 LEU 38 8.045 -11.738 5.027 270 HD12 LEU 38 HD12 LEU 38 9.469 -12.067 6.013 271 HD13 LEU 38 HD13 LEU 38 9.602 -12.039 4.254 272 HD21 LEU 38 HD21 LEU 38 8.819 -9.107 3.365 273 HD22 LEU 38 HD22 LEU 38 10.000 -10.394 3.115 274 HD23 LEU 38 HD23 LEU 38 10.508 -8.852 3.806 275 H GLY 39 H GLY 39 10.134 -10.728 8.242 276 HA2 GLY 39 HA2 GLY 39 9.069 -13.276 8.127 277 HA3 GLY 39 HA3 GLY 39 10.288 -12.769 9.287 278 H LYS 40 H LYS 40 8.427 -10.762 10.452 279 HA LYS 40 HA LYS 40 7.080 -12.597 12.264 280 HB2 LYS 40 HB2 LYS 40 6.840 -10.730 13.741 281 HB3 LYS 40 HB3 LYS 40 8.474 -10.684 13.093 282 HG2 LYS 40 HG2 LYS 40 7.864 -8.932 11.555 283 HG3 LYS 40 HG3 LYS 40 6.176 -9.032 12.063 284 HD2 LYS 40 HD2 LYS 40 7.229 -7.149 13.147 285 HD3 LYS 40 HD3 LYS 40 6.869 -8.389 14.351 286 HE2 LYS 40 HE2 LYS 40 9.158 -9.105 14.382 287 HE3 LYS 40 HE3 LYS 40 9.555 -8.050 13.026 288 HZ1 LYS 40 HZ1 LYS 40 9.109 -7.375 15.838 289 HZ2 LYS 40 HZ2 LYS 40 8.656 -6.236 14.674 290 HZ3 LYS 40 HZ3 LYS 40 10.258 -6.772 14.753 291 H LEU 41 H LEU 41 6.333 -10.356 9.729 292 HA LEU 41 HA LEU 41 3.561 -10.052 10.393 293 HB2 LEU 41 HB2 LEU 41 5.346 -9.241 8.176 294 HB3 LEU 41 HB3 LEU 41 3.626 -9.359 7.812 295 HG LEU 41 HG LEU 41 4.588 -7.738 10.142 296 HD11 LEU 41 HD11 LEU 41 4.106 -5.970 8.049 297 HD12 LEU 41 HD12 LEU 41 5.136 -7.224 7.357 298 HD13 LEU 41 HD13 LEU 41 5.663 -6.342 8.791 299 HD21 LEU 41 HD21 LEU 41 2.119 -8.420 9.490 300 HD22 LEU 41 HD22 LEU 41 2.287 -7.051 8.391 301 HD23 LEU 41 HD23 LEU 41 2.499 -6.820 10.128 302 H PHE 42 H PHE 42 5.437 -12.124 8.251 303 HA PHE 42 HA PHE 42 2.969 -13.530 7.490 304 HB2 PHE 42 HB2 PHE 42 5.705 -13.599 6.200 305 HB3 PHE 42 HB3 PHE 42 4.291 -14.485 5.638 306 HD1 PHE 42 HD1 PHE 42 2.740 -13.486 4.205 307 HD2 PHE 42 HD2 PHE 42 5.620 -11.075 6.208 308 HE1 PHE 42 HE1 PHE 42 2.078 -11.556 2.828 309 HE2 PHE 42 HE2 PHE 42 4.961 -9.142 4.836 310 HZ PHE 42 HZ PHE 42 3.188 -9.381 3.144 311 H GLY 43 H GLY 43 6.392 -14.443 7.938 312 HA2 GLY 43 HA2 GLY 43 7.012 -15.914 9.788 313 HA3 GLY 43 HA3 GLY 43 5.454 -16.704 9.591 314 H PHE 44 H PHE 44 7.799 -15.775 7.102 315 HA PHE 44 HA PHE 44 7.573 -18.224 5.728 316 HB2 PHE 44 HB2 PHE 44 9.722 -16.100 5.590 317 HB3 PHE 44 HB3 PHE 44 9.560 -17.431 4.449 318 HD1 PHE 44 HD1 PHE 44 6.771 -17.585 3.862 319 HD2 PHE 44 HD2 PHE 44 9.169 -14.135 4.545 320 HE1 PHE 44 HE1 PHE 44 5.214 -16.239 2.513 321 HE2 PHE 44 HE2 PHE 44 7.615 -12.784 3.198 322 HZ PHE 44 HZ PHE 44 5.634 -13.835 2.181 Start of MODEL 5 1 H MET 1 H MET 1 -1.550 -1.513 -6.210 2 HA MET 1 HA MET 1 -0.125 -4.031 -6.542 3 HB2 MET 1 HB2 MET 1 0.436 -1.245 -7.567 4 HB3 MET 1 HB3 MET 1 1.455 -2.639 -7.898 5 HG2 MET 1 HG2 MET 1 -0.202 -3.679 -9.193 6 HG3 MET 1 HG3 MET 1 -1.459 -2.598 -8.596 7 HE1 MET 1 HE1 MET 1 1.041 -3.545 -10.889 8 HE2 MET 1 HE2 MET 1 0.004 -2.982 -12.200 9 HE3 MET 1 HE3 MET 1 1.534 -2.165 -11.872 10 H THR 2 H THR 2 1.469 -4.673 -5.254 11 HA THR 2 HA THR 2 2.607 -2.722 -3.367 12 HB THR 2 HB THR 2 3.374 -4.941 -2.200 13 HG1 THR 2 HG1 THR 2 2.637 -6.344 -3.849 14 HG21 THR 2 HG21 THR 2 0.771 -5.041 -1.394 15 HG22 THR 2 HG22 THR 2 0.856 -3.435 -2.116 16 HG23 THR 2 HG23 THR 2 1.958 -3.875 -0.812 17 H GLY 3 H GLY 3 4.861 -2.784 -2.907 18 HA2 GLY 3 HA2 GLY 3 6.573 -4.387 -4.630 19 HA3 GLY 3 HA3 GLY 3 6.631 -2.651 -4.900 20 H LEU 4 H LEU 4 6.027 -3.704 -1.686 21 HA LEU 4 HA LEU 4 8.269 -2.378 -0.636 22 HB2 LEU 4 HB2 LEU 4 6.476 -4.480 0.563 23 HB3 LEU 4 HB3 LEU 4 7.702 -3.600 1.473 24 HG LEU 4 HG LEU 4 6.362 -1.507 0.559 25 HD11 LEU 4 HD11 LEU 4 4.495 -3.812 0.270 26 HD12 LEU 4 HD12 LEU 4 4.689 -2.383 -0.744 27 HD13 LEU 4 HD13 LEU 4 3.869 -2.255 0.812 28 HD21 LEU 4 HD21 LEU 4 4.865 -1.808 2.649 29 HD22 LEU 4 HD22 LEU 4 6.613 -1.697 2.855 30 HD23 LEU 4 HD23 LEU 4 5.815 -3.270 2.915 31 H ALA 5 H ALA 5 7.622 -5.887 -0.739 32 HA ALA 5 HA ALA 5 10.536 -6.325 -0.675 33 HB1 ALA 5 HB1 ALA 5 8.430 -8.303 0.172 34 HB2 ALA 5 HB2 ALA 5 10.171 -8.391 0.442 35 HB3 ALA 5 HB3 ALA 5 9.210 -7.174 1.281 36 H GLU 6 H GLU 6 7.584 -6.916 -2.378 37 HA GLU 6 HA GLU 6 8.197 -9.145 -3.900 38 HB2 GLU 6 HB2 GLU 6 6.483 -6.744 -4.324 39 HB3 GLU 6 HB3 GLU 6 6.798 -7.785 -5.705 40 HG2 GLU 6 HG2 GLU 6 5.972 -9.707 -4.354 41 HG3 GLU 6 HG3 GLU 6 5.508 -8.558 -3.101 42 H ALA 7 H ALA 7 9.130 -5.777 -4.400 43 HA ALA 7 HA ALA 7 10.206 -5.906 -6.938 44 HB1 ALA 7 HB1 ALA 7 11.350 -3.929 -6.454 45 HB2 ALA 7 HB2 ALA 7 9.957 -3.893 -5.371 46 HB3 ALA 7 HB3 ALA 7 11.544 -4.349 -4.752 47 H ILE 8 H ILE 8 11.823 -6.616 -3.850 48 HA ILE 8 HA ILE 8 14.306 -7.324 -5.040 49 HB ILE 8 HB ILE 8 13.272 -8.169 -2.333 50 HG12 ILE 8 HG12 ILE 8 14.965 -6.082 -1.867 51 HG13 ILE 8 HG13 ILE 8 14.201 -5.568 -3.367 52 HG21 ILE 8 HG21 ILE 8 16.128 -7.719 -3.140 53 HG22 ILE 8 HG22 ILE 8 15.500 -8.584 -1.738 54 HG23 ILE 8 HG23 ILE 8 15.334 -9.280 -3.350 55 HD11 ILE 8 HD11 ILE 8 12.456 -6.556 -1.183 56 HD12 ILE 8 HD12 ILE 8 13.191 -4.961 -1.017 57 HD13 ILE 8 HD13 ILE 8 12.159 -5.317 -2.402 58 H ALA 9 H ALA 9 11.413 -9.106 -4.173 59 HA ALA 9 HA ALA 9 12.614 -11.686 -4.639 60 HB1 ALA 9 HB1 ALA 9 9.752 -11.775 -4.680 61 HB2 ALA 9 HB2 ALA 9 10.871 -12.410 -3.473 62 HB3 ALA 9 HB3 ALA 9 10.298 -10.747 -3.355 63 H ASN 10 H ASN 10 11.776 -9.281 -6.677 64 HA ASN 10 HA ASN 10 10.453 -10.859 -8.709 65 HB2 ASN 10 HB2 ASN 10 10.237 -8.282 -8.198 66 HB3 ASN 10 HB3 ASN 10 11.637 -8.166 -9.260 67 HD21 ASN 10 HD21 ASN 10 8.595 -10.001 -9.211 68 HD22 ASN 10 HD22 ASN 10 8.151 -9.630 -10.839 69 H THR 11 H THR 11 13.637 -10.284 -7.724 70 HA THR 11 HA THR 11 14.681 -11.117 -10.352 71 HB THR 11 HB THR 11 15.493 -8.898 -9.535 72 HG1 THR 11 HG1 THR 11 17.284 -11.063 -9.925 73 HG21 THR 11 HG21 THR 11 15.535 -9.384 -7.139 74 HG22 THR 11 HG22 THR 11 17.122 -8.857 -7.700 75 HG23 THR 11 HG23 THR 11 16.818 -10.567 -7.394 76 H VAL 12 H VAL 12 14.487 -11.850 -6.973 77 HA VAL 12 HA VAL 12 16.627 -13.599 -6.649 78 HB VAL 12 HB VAL 12 15.408 -14.588 -4.808 79 HG11 VAL 12 HG11 VAL 12 15.587 -11.705 -5.205 80 HG12 VAL 12 HG12 VAL 12 14.410 -12.171 -3.976 81 HG13 VAL 12 HG13 VAL 12 16.089 -12.694 -3.834 82 HG21 VAL 12 HG21 VAL 12 13.003 -13.635 -4.458 83 HG22 VAL 12 HG22 VAL 12 13.043 -13.418 -6.207 84 HG23 VAL 12 HG23 VAL 12 13.256 -15.025 -5.512 85 H GLN 13 H GLN 13 13.681 -13.988 -8.409 86 HA GLN 13 HA GLN 13 13.314 -16.723 -8.437 87 HB2 GLN 13 HB2 GLN 13 12.930 -14.685 -10.627 88 HB3 GLN 13 HB3 GLN 13 12.425 -16.362 -10.785 89 HG2 GLN 13 HG2 GLN 13 11.347 -15.536 -8.365 90 HG3 GLN 13 HG3 GLN 13 11.130 -14.160 -9.444 91 HE21 GLN 13 HE21 GLN 13 8.986 -14.293 -9.794 92 HE22 GLN 13 HE22 GLN 13 8.202 -15.634 -10.550 93 H ALA 14 H ALA 14 15.545 -14.780 -10.380 94 HA ALA 14 HA ALA 14 16.763 -17.270 -11.373 95 HB1 ALA 14 HB1 ALA 14 17.694 -14.863 -12.682 96 HB2 ALA 14 HB2 ALA 14 16.968 -16.315 -13.373 97 HB3 ALA 14 HB3 ALA 14 15.939 -15.018 -12.767 98 H ALA 15 H ALA 15 17.392 -14.219 -9.757 99 HA ALA 15 HA ALA 15 20.227 -14.473 -9.693 100 HB1 ALA 15 HB1 ALA 15 18.591 -12.417 -9.252 101 HB2 ALA 15 HB2 ALA 15 18.860 -12.913 -7.581 102 HB3 ALA 15 HB3 ALA 15 20.230 -12.483 -8.605 103 H GLN 16 H GLN 16 17.678 -15.106 -7.292 104 HA GLN 16 HA GLN 16 17.634 -16.395 -5.419 105 HB2 GLN 16 HB2 GLN 16 20.017 -17.808 -6.624 106 HB3 GLN 16 HB3 GLN 16 18.910 -18.445 -5.414 107 HG2 GLN 16 HG2 GLN 16 17.089 -18.354 -7.061 108 HG3 GLN 16 HG3 GLN 16 18.236 -17.781 -8.271 109 HE21 GLN 16 HE21 GLN 16 19.485 -19.215 -9.324 110 HE22 GLN 16 HE22 GLN 16 19.464 -20.920 -9.049 111 H GLN 17 H GLN 17 19.066 -13.957 -5.300 112 HA GLN 17 HA GLN 17 20.408 -12.796 -3.878 113 HB2 GLN 17 HB2 GLN 17 20.770 -15.331 -2.293 114 HB3 GLN 17 HB3 GLN 17 20.828 -13.670 -1.717 115 HG2 GLN 17 HG2 GLN 17 18.431 -13.441 -2.144 116 HG3 GLN 17 HG3 GLN 17 18.377 -15.111 -2.706 117 HE21 GLN 17 HE21 GLN 17 16.808 -15.493 -1.067 118 HE22 GLN 17 HE22 GLN 17 17.295 -15.744 0.571 119 H HIS 18 H HIS 18 21.570 -13.944 -6.167 120 HA HIS 18 HA HIS 18 24.242 -14.746 -5.234 121 HB2 HIS 18 HB2 HIS 18 23.326 -16.358 -6.754 122 HB3 HIS 18 HB3 HIS 18 22.867 -15.102 -7.900 123 HD1 HIS 18 HD1 HIS 18 24.610 -14.358 -9.572 124 HD2 HIS 18 HD2 HIS 18 26.136 -16.900 -6.662 125 HE1 HIS 18 HE1 HIS 18 26.927 -14.952 -10.347 126 H ASP 19 H ASP 19 23.030 -13.044 -8.119 127 HA ASP 19 HA ASP 19 25.287 -11.532 -8.608 128 HB2 ASP 19 HB2 ASP 19 23.301 -11.776 -10.123 129 HB3 ASP 19 HB3 ASP 19 22.451 -10.611 -9.110 130 H SER 20 H SER 20 22.633 -10.898 -6.396 131 HA SER 20 HA SER 20 23.148 -8.221 -5.806 132 HB2 SER 20 HB2 SER 20 21.920 -8.610 -3.723 133 HB3 SER 20 HB3 SER 20 21.120 -9.421 -5.069 134 HG SER 20 HG SER 20 22.886 -10.654 -3.218 135 H VAL 21 H VAL 21 24.581 -11.171 -4.520 136 HA VAL 21 HA VAL 21 26.007 -10.069 -2.382 137 HB VAL 21 HB VAL 21 26.935 -12.374 -4.095 138 HG11 VAL 21 HG11 VAL 21 27.756 -13.123 -1.768 139 HG12 VAL 21 HG12 VAL 21 28.660 -11.868 -2.618 140 HG13 VAL 21 HG13 VAL 21 27.550 -11.431 -1.318 141 HG21 VAL 21 HG21 VAL 21 24.777 -13.030 -3.573 142 HG22 VAL 21 HG22 VAL 21 25.704 -13.696 -2.228 143 HG23 VAL 21 HG23 VAL 21 24.791 -12.202 -2.016 144 H LYS 22 H LYS 22 26.594 -9.984 -5.799 145 HA LYS 22 HA LYS 22 29.300 -8.936 -5.397 146 HB2 LYS 22 HB2 LYS 22 28.732 -10.741 -7.131 147 HB3 LYS 22 HB3 LYS 22 27.971 -9.450 -8.051 148 HG2 LYS 22 HG2 LYS 22 30.004 -8.346 -8.401 149 HG3 LYS 22 HG3 LYS 22 30.818 -9.259 -7.129 150 HD2 LYS 22 HD2 LYS 22 29.695 -10.613 -9.562 151 HD3 LYS 22 HD3 LYS 22 31.307 -9.893 -9.569 152 HE2 LYS 22 HE2 LYS 22 31.889 -11.291 -7.609 153 HE3 LYS 22 HE3 LYS 22 30.306 -12.060 -7.724 154 HZ1 LYS 22 HZ1 LYS 22 31.491 -12.185 -10.243 155 HZ2 LYS 22 HZ2 LYS 22 31.155 -13.463 -9.188 156 HZ3 LYS 22 HZ3 LYS 22 32.657 -12.687 -9.125 157 H LEU 23 H LEU 23 26.091 -7.974 -6.269 158 HA LEU 23 HA LEU 23 26.720 -5.215 -6.024 159 HB2 LEU 23 HB2 LEU 23 27.455 -6.015 -8.420 160 HB3 LEU 23 HB3 LEU 23 25.732 -5.869 -8.758 161 HG LEU 23 HG LEU 23 26.929 -3.872 -9.456 162 HD11 LEU 23 HD11 LEU 23 25.552 -2.231 -8.375 163 HD12 LEU 23 HD12 LEU 23 25.279 -3.300 -7.000 164 HD13 LEU 23 HD13 LEU 23 24.613 -3.710 -8.580 165 HD21 LEU 23 HD21 LEU 23 28.598 -4.273 -7.409 166 HD22 LEU 23 HD22 LEU 23 27.545 -3.063 -6.677 167 HD23 LEU 23 HD23 LEU 23 28.392 -2.702 -8.182 168 H GLY 24 H GLY 24 25.014 -4.860 -4.722 169 HA2 GLY 24 HA2 GLY 24 22.495 -4.320 -5.626 170 HA3 GLY 24 HA3 GLY 24 22.433 -6.027 -5.212 171 H THR 25 H THR 25 23.347 -2.866 -3.872 172 HA THR 25 HA THR 25 23.367 -3.691 -1.173 173 HB THR 25 HB THR 25 24.455 -1.617 -1.915 174 HG1 THR 25 HG1 THR 25 23.292 -1.982 0.293 175 HG21 THR 25 HG21 THR 25 23.410 0.046 -3.003 176 HG22 THR 25 HG22 THR 25 22.015 -0.006 -1.925 177 HG23 THR 25 HG23 THR 25 22.125 -1.128 -3.280 178 H SER 26 H SER 26 20.813 -2.767 -3.334 179 HA SER 26 HA SER 26 18.895 -2.544 -1.138 180 HB2 SER 26 HB2 SER 26 17.331 -2.071 -3.201 181 HB3 SER 26 HB3 SER 26 18.445 -0.828 -2.631 182 HG SER 26 HG SER 26 18.325 -1.929 -5.033 183 H ILE 27 H ILE 27 20.188 -5.088 -2.007 184 HA ILE 27 HA ILE 27 17.708 -6.617 -2.352 185 HB ILE 27 HB ILE 27 20.258 -7.170 -3.875 186 HG12 ILE 27 HG12 ILE 27 18.327 -6.897 -5.752 187 HG13 ILE 27 HG13 ILE 27 17.737 -5.766 -4.539 188 HG21 ILE 27 HG21 ILE 27 18.399 -8.768 -4.991 189 HG22 ILE 27 HG22 ILE 27 19.490 -9.282 -3.705 190 HG23 ILE 27 HG23 ILE 27 17.849 -8.768 -3.316 191 HD11 ILE 27 HD11 ILE 27 20.232 -4.930 -4.605 192 HD12 ILE 27 HD12 ILE 27 20.180 -5.652 -6.213 193 HD13 ILE 27 HD13 ILE 27 19.038 -4.380 -5.781 194 H VAL 28 H VAL 28 21.140 -6.659 -1.490 195 HA VAL 28 HA VAL 28 21.029 -9.199 -0.188 196 HB VAL 28 HB VAL 28 23.258 -8.686 0.646 197 HG11 VAL 28 HG11 VAL 28 23.439 -7.574 -2.086 198 HG12 VAL 28 HG12 VAL 28 24.274 -8.949 -1.360 199 HG13 VAL 28 HG13 VAL 28 22.609 -9.121 -1.917 200 HG21 VAL 28 HG21 VAL 28 24.008 -6.291 -0.468 201 HG22 VAL 28 HG22 VAL 28 22.392 -5.946 0.147 202 HG23 VAL 28 HG23 VAL 28 23.636 -6.561 1.235 203 H ASP 29 H ASP 29 20.292 -5.961 0.735 204 HA ASP 29 HA ASP 29 20.313 -6.642 3.582 205 HB2 ASP 29 HB2 ASP 29 19.757 -3.979 2.257 206 HB3 ASP 29 HB3 ASP 29 19.974 -4.262 3.982 207 H ILE 30 H ILE 30 18.345 -7.639 1.540 208 HA ILE 30 HA ILE 30 15.918 -6.779 2.968 209 HB ILE 30 HB ILE 30 16.112 -7.370 0.012 210 HG12 ILE 30 HG12 ILE 30 17.020 -5.171 0.592 211 HG13 ILE 30 HG13 ILE 30 15.494 -5.004 -0.269 212 HG21 ILE 30 HG21 ILE 30 13.931 -7.770 0.054 213 HG22 ILE 30 HG22 ILE 30 13.917 -7.553 1.803 214 HG23 ILE 30 HG23 ILE 30 13.649 -6.171 0.741 215 HD11 ILE 30 HD11 ILE 30 14.923 -5.101 2.502 216 HD12 ILE 30 HD12 ILE 30 16.231 -3.945 2.245 217 HD13 ILE 30 HD13 ILE 30 14.708 -3.762 1.375 218 H VAL 31 H VAL 31 17.549 -9.314 1.133 219 HA VAL 31 HA VAL 31 15.554 -11.300 1.724 220 HB VAL 31 HB VAL 31 17.053 -12.889 0.665 221 HG11 VAL 31 HG11 VAL 31 16.764 -10.243 -0.735 222 HG12 VAL 31 HG12 VAL 31 17.372 -11.689 -1.542 223 HG13 VAL 31 HG13 VAL 31 15.739 -11.671 -0.875 224 HG21 VAL 31 HG21 VAL 31 19.044 -10.659 0.912 225 HG22 VAL 31 HG22 VAL 31 19.196 -12.342 1.418 226 HG23 VAL 31 HG23 VAL 31 19.233 -11.930 -0.296 227 H ALA 32 H ALA 32 18.439 -10.119 3.220 228 HA ALA 32 HA ALA 32 18.341 -12.327 5.170 229 HB1 ALA 32 HB1 ALA 32 20.672 -10.547 4.467 230 HB2 ALA 32 HB2 ALA 32 20.683 -11.837 5.670 231 HB3 ALA 32 HB3 ALA 32 20.457 -12.224 3.964 232 H ASN 33 H ASN 33 18.639 -8.831 4.768 233 HA ASN 33 HA ASN 33 18.427 -8.413 7.644 234 HB2 ASN 33 HB2 ASN 33 19.190 -6.759 5.305 235 HB3 ASN 33 HB3 ASN 33 18.393 -5.913 6.628 236 HD21 ASN 33 HD21 ASN 33 19.998 -4.832 7.565 237 HD22 ASN 33 HD22 ASN 33 21.450 -5.538 8.178 238 H GLY 34 H GLY 34 16.735 -7.172 4.751 239 HA2 GLY 34 HA2 GLY 34 14.553 -6.062 6.080 240 HA3 GLY 34 HA3 GLY 34 14.533 -6.620 4.413 241 H VAL 35 H VAL 35 15.223 -9.387 5.304 242 HA VAL 35 HA VAL 35 12.627 -10.436 5.415 243 HB VAL 35 HB VAL 35 14.705 -11.656 4.668 244 HG11 VAL 35 HG11 VAL 35 15.194 -12.732 7.340 245 HG12 VAL 35 HG12 VAL 35 16.336 -12.251 6.083 246 HG13 VAL 35 HG13 VAL 35 15.647 -11.037 7.162 247 HG21 VAL 35 HG21 VAL 35 13.864 -13.797 6.110 248 HG22 VAL 35 HG22 VAL 35 12.486 -12.709 6.278 249 HG23 VAL 35 HG23 VAL 35 13.049 -13.178 4.673 250 H GLY 36 H GLY 36 14.681 -9.224 7.897 251 HA2 GLY 36 HA2 GLY 36 13.552 -10.672 10.083 252 HA3 GLY 36 HA3 GLY 36 14.521 -9.210 10.195 253 H LEU 37 H LEU 37 12.250 -8.295 8.126 254 HA LEU 37 HA LEU 37 10.655 -7.054 10.223 255 HB2 LEU 37 HB2 LEU 37 10.688 -6.612 7.242 256 HB3 LEU 37 HB3 LEU 37 9.747 -5.675 8.400 257 HG LEU 37 HG LEU 37 12.750 -5.810 8.499 258 HD11 LEU 37 HD11 LEU 37 10.993 -3.901 6.972 259 HD12 LEU 37 HD12 LEU 37 12.250 -4.956 6.328 260 HD13 LEU 37 HD13 LEU 37 12.686 -3.592 7.358 261 HD21 LEU 37 HD21 LEU 37 12.585 -4.394 10.214 262 HD22 LEU 37 HD22 LEU 37 10.878 -4.835 10.275 263 HD23 LEU 37 HD23 LEU 37 11.387 -3.400 9.384 264 H LEU 38 H LEU 38 10.367 -9.422 7.683 265 HA LEU 38 HA LEU 38 7.503 -9.719 8.293 266 HB2 LEU 38 HB2 LEU 38 7.093 -10.223 6.140 267 HB3 LEU 38 HB3 LEU 38 8.589 -9.331 5.873 268 HG LEU 38 HG LEU 38 8.359 -12.334 6.059 269 HD11 LEU 38 HD11 LEU 38 7.905 -10.500 3.886 270 HD12 LEU 38 HD12 LEU 38 7.692 -12.249 3.945 271 HD13 LEU 38 HD13 LEU 38 9.266 -11.567 3.538 272 HD21 LEU 38 HD21 LEU 38 10.532 -12.075 6.618 273 HD22 LEU 38 HD22 LEU 38 10.627 -10.449 5.942 274 HD23 LEU 38 HD23 LEU 38 10.723 -11.853 4.879 275 H GLY 39 H GLY 39 10.422 -11.000 9.064 276 HA2 GLY 39 HA2 GLY 39 9.757 -13.805 8.910 277 HA3 GLY 39 HA3 GLY 39 11.176 -13.108 9.677 278 H LYS 40 H LYS 40 9.129 -11.272 11.114 279 HA LYS 40 HA LYS 40 8.620 -13.173 13.295 280 HB2 LYS 40 HB2 LYS 40 8.583 -11.265 14.780 281 HB3 LYS 40 HB3 LYS 40 10.046 -11.210 13.805 282 HG2 LYS 40 HG2 LYS 40 9.072 -9.522 12.375 283 HG3 LYS 40 HG3 LYS 40 7.547 -9.621 13.257 284 HD2 LYS 40 HD2 LYS 40 8.642 -7.727 14.126 285 HD3 LYS 40 HD3 LYS 40 8.886 -8.995 15.330 286 HE2 LYS 40 HE2 LYS 40 11.087 -9.439 14.006 287 HE3 LYS 40 HE3 LYS 40 10.837 -7.801 13.404 288 HZ1 LYS 40 HZ1 LYS 40 12.221 -8.195 15.541 289 HZ2 LYS 40 HZ2 LYS 40 10.712 -8.314 16.296 290 HZ3 LYS 40 HZ3 LYS 40 11.138 -6.896 15.477 291 H LEU 41 H LEU 41 7.087 -11.041 11.043 292 HA LEU 41 HA LEU 41 4.550 -11.018 12.427 293 HB2 LEU 41 HB2 LEU 41 5.247 -9.093 11.106 294 HB3 LEU 41 HB3 LEU 41 5.311 -10.096 9.658 295 HG LEU 41 HG LEU 41 2.721 -9.903 11.106 296 HD11 LEU 41 HD11 LEU 41 3.991 -7.573 10.664 297 HD12 LEU 41 HD12 LEU 41 2.241 -7.769 10.571 298 HD13 LEU 41 HD13 LEU 41 3.211 -7.805 9.099 299 HD21 LEU 41 HD21 LEU 41 3.522 -11.135 8.832 300 HD22 LEU 41 HD22 LEU 41 2.928 -9.604 8.190 301 HD23 LEU 41 HD23 LEU 41 1.865 -10.627 9.157 302 H PHE 42 H PHE 42 5.856 -12.465 9.455 303 HA PHE 42 HA PHE 42 3.448 -13.959 8.959 304 HB2 PHE 42 HB2 PHE 42 6.182 -13.975 7.680 305 HB3 PHE 42 HB3 PHE 42 4.886 -15.054 7.172 306 HD1 PHE 42 HD1 PHE 42 3.246 -14.334 5.675 307 HD2 PHE 42 HD2 PHE 42 5.790 -11.480 7.546 308 HE1 PHE 42 HE1 PHE 42 2.370 -12.581 4.187 309 HE2 PHE 42 HE2 PHE 42 4.917 -9.723 6.062 310 HZ PHE 42 HZ PHE 42 3.204 -10.272 4.380 311 H GLY 43 H GLY 43 6.813 -14.943 9.649 312 HA2 GLY 43 HA2 GLY 43 7.467 -16.555 11.239 313 HA3 GLY 43 HA3 GLY 43 5.796 -17.088 11.353 314 H PHE 44 H PHE 44 7.187 -16.648 8.220 315 HA PHE 44 HA PHE 44 6.591 -19.203 7.319 316 HB2 PHE 44 HB2 PHE 44 7.856 -18.683 5.360 317 HB3 PHE 44 HB3 PHE 44 7.123 -17.179 5.909 318 HD1 PHE 44 HD1 PHE 44 10.248 -19.053 5.563 319 HD2 PHE 44 HD2 PHE 44 8.467 -15.380 6.767 320 HE1 PHE 44 HE1 PHE 44 12.468 -17.992 5.597 321 HE2 PHE 44 HE2 PHE 44 10.683 -14.312 6.801 322 HZ PHE 44 HZ PHE 44 12.687 -15.618 6.215 Start of MODEL 6 1 H MET 1 H MET 1 2.360 3.079 -2.530 2 HA MET 1 HA MET 1 3.044 1.471 -4.574 3 HB2 MET 1 HB2 MET 1 4.758 3.081 -2.714 4 HB3 MET 1 HB3 MET 1 5.502 2.136 -3.996 5 HG2 MET 1 HG2 MET 1 4.110 3.332 -5.642 6 HG3 MET 1 HG3 MET 1 3.465 4.322 -4.335 7 HE1 MET 1 HE1 MET 1 4.244 6.618 -5.579 8 HE2 MET 1 HE2 MET 1 5.834 6.757 -6.328 9 HE3 MET 1 HE3 MET 1 4.693 5.538 -6.899 10 H THR 2 H THR 2 2.308 -0.631 -3.584 11 HA THR 2 HA THR 2 3.810 -2.026 -1.682 12 HB THR 2 HB THR 2 1.592 -2.778 -2.399 13 HG1 THR 2 HG1 THR 2 3.560 -4.749 -3.008 14 HG21 THR 2 HG21 THR 2 2.357 -2.307 -4.925 15 HG22 THR 2 HG22 THR 2 1.039 -3.405 -4.514 16 HG23 THR 2 HG23 THR 2 2.646 -4.045 -4.860 17 H GLY 3 H GLY 3 5.326 -3.756 -1.939 18 HA2 GLY 3 HA2 GLY 3 6.634 -5.004 -3.725 19 HA3 GLY 3 HA3 GLY 3 7.026 -3.400 -4.326 20 H LEU 4 H LEU 4 6.834 -4.351 -0.937 21 HA LEU 4 HA LEU 4 9.384 -3.219 -0.373 22 HB2 LEU 4 HB2 LEU 4 7.587 -4.975 1.291 23 HB3 LEU 4 HB3 LEU 4 9.030 -4.162 1.892 24 HG LEU 4 HG LEU 4 7.743 -2.022 0.990 25 HD11 LEU 4 HD11 LEU 4 5.279 -2.788 1.963 26 HD12 LEU 4 HD12 LEU 4 5.757 -4.140 0.937 27 HD13 LEU 4 HD13 LEU 4 5.693 -2.508 0.271 28 HD21 LEU 4 HD21 LEU 4 7.184 -3.428 3.600 29 HD22 LEU 4 HD22 LEU 4 6.846 -1.728 3.269 30 HD23 LEU 4 HD23 LEU 4 8.510 -2.314 3.265 31 H ALA 5 H ALA 5 8.208 -6.579 -0.101 32 HA ALA 5 HA ALA 5 10.993 -7.481 -0.425 33 HB1 ALA 5 HB1 ALA 5 8.780 -9.180 0.677 34 HB2 ALA 5 HB2 ALA 5 10.524 -9.361 0.879 35 HB3 ALA 5 HB3 ALA 5 9.672 -8.051 1.697 36 H GLU 6 H GLU 6 7.740 -7.737 -1.650 37 HA GLU 6 HA GLU 6 7.877 -10.025 -3.193 38 HB2 GLU 6 HB2 GLU 6 6.402 -7.438 -3.486 39 HB3 GLU 6 HB3 GLU 6 6.333 -8.619 -4.786 40 HG2 GLU 6 HG2 GLU 6 5.402 -10.269 -3.303 41 HG3 GLU 6 HG3 GLU 6 5.587 -9.184 -1.926 42 H ALA 7 H ALA 7 8.728 -6.709 -4.180 43 HA ALA 7 HA ALA 7 9.553 -7.230 -6.768 44 HB1 ALA 7 HB1 ALA 7 10.775 -5.172 -6.678 45 HB2 ALA 7 HB2 ALA 7 9.294 -4.978 -5.739 46 HB3 ALA 7 HB3 ALA 7 10.834 -5.228 -4.916 47 H ILE 8 H ILE 8 11.393 -7.491 -3.755 48 HA ILE 8 HA ILE 8 13.859 -8.154 -5.019 49 HB ILE 8 HB ILE 8 13.038 -8.780 -2.183 50 HG12 ILE 8 HG12 ILE 8 12.687 -6.413 -2.599 51 HG13 ILE 8 HG13 ILE 8 14.126 -6.624 -1.608 52 HG21 ILE 8 HG21 ILE 8 15.804 -8.202 -3.186 53 HG22 ILE 8 HG22 ILE 8 15.311 -8.997 -1.692 54 HG23 ILE 8 HG23 ILE 8 15.126 -9.829 -3.236 55 HD11 ILE 8 HD11 ILE 8 13.833 -5.369 -4.177 56 HD12 ILE 8 HD12 ILE 8 15.194 -5.338 -3.055 57 HD13 ILE 8 HD13 ILE 8 15.050 -6.644 -4.231 58 H ALA 9 H ALA 9 11.138 -10.000 -3.802 59 HA ALA 9 HA ALA 9 12.473 -12.541 -4.069 60 HB1 ALA 9 HB1 ALA 9 9.629 -12.812 -3.943 61 HB2 ALA 9 HB2 ALA 9 10.842 -13.227 -2.731 62 HB3 ALA 9 HB3 ALA 9 10.157 -11.602 -2.774 63 H ASN 10 H ASN 10 11.388 -10.419 -6.295 64 HA ASN 10 HA ASN 10 10.070 -12.278 -8.078 65 HB2 ASN 10 HB2 ASN 10 9.872 -9.594 -7.793 66 HB3 ASN 10 HB3 ASN 10 11.020 -9.677 -9.126 67 HD21 ASN 10 HD21 ASN 10 8.277 -8.718 -9.098 68 HD22 ASN 10 HD22 ASN 10 7.425 -9.660 -10.269 69 H THR 11 H THR 11 13.254 -11.422 -7.331 70 HA THR 11 HA THR 11 14.219 -12.468 -9.913 71 HB THR 11 HB THR 11 15.015 -10.219 -9.613 72 HG1 THR 11 HG1 THR 11 17.278 -11.675 -8.816 73 HG21 THR 11 HG21 THR 11 14.751 -9.935 -7.239 74 HG22 THR 11 HG22 THR 11 16.440 -9.631 -7.649 75 HG23 THR 11 HG23 THR 11 15.973 -11.163 -6.911 76 H VAL 12 H VAL 12 14.286 -12.801 -6.458 77 HA VAL 12 HA VAL 12 16.537 -14.380 -6.079 78 HB VAL 12 HB VAL 12 15.499 -15.216 -4.066 79 HG11 VAL 12 HG11 VAL 12 15.458 -12.403 -4.799 80 HG12 VAL 12 HG12 VAL 12 14.343 -12.781 -3.485 81 HG13 VAL 12 HG13 VAL 12 16.054 -13.182 -3.334 82 HG21 VAL 12 HG21 VAL 12 12.944 -14.230 -5.312 83 HG22 VAL 12 HG22 VAL 12 13.341 -15.868 -4.795 84 HG23 VAL 12 HG23 VAL 12 13.094 -14.601 -3.594 85 H GLN 13 H GLN 13 13.509 -15.156 -7.565 86 HA GLN 13 HA GLN 13 13.347 -17.892 -7.279 87 HB2 GLN 13 HB2 GLN 13 12.625 -16.076 -9.565 88 HB3 GLN 13 HB3 GLN 13 12.347 -17.810 -9.655 89 HG2 GLN 13 HG2 GLN 13 11.305 -16.928 -7.186 90 HG3 GLN 13 HG3 GLN 13 10.755 -15.800 -8.424 91 HE21 GLN 13 HE21 GLN 13 10.533 -18.988 -7.160 92 HE22 GLN 13 HE22 GLN 13 9.275 -19.550 -8.202 93 H ALA 14 H ALA 14 15.356 -16.024 -9.500 94 HA ALA 14 HA ALA 14 16.660 -18.527 -10.344 95 HB1 ALA 14 HB1 ALA 14 17.446 -16.362 -12.004 96 HB2 ALA 14 HB2 ALA 14 16.497 -17.787 -12.427 97 HB3 ALA 14 HB3 ALA 14 15.689 -16.330 -11.850 98 H ALA 15 H ALA 15 17.202 -15.248 -9.177 99 HA ALA 15 HA ALA 15 20.039 -15.356 -9.237 100 HB1 ALA 15 HB1 ALA 15 18.390 -13.326 -9.012 101 HB2 ALA 15 HB2 ALA 15 18.605 -13.621 -7.286 102 HB3 ALA 15 HB3 ALA 15 20.003 -13.264 -8.301 103 H GLN 16 H GLN 16 17.656 -15.867 -6.650 104 HA GLN 16 HA GLN 16 17.788 -16.926 -4.642 105 HB2 GLN 16 HB2 GLN 16 20.241 -18.277 -5.773 106 HB3 GLN 16 HB3 GLN 16 19.224 -18.854 -4.459 107 HG2 GLN 16 HG2 GLN 16 17.362 -19.118 -6.028 108 HG3 GLN 16 HG3 GLN 16 18.403 -18.569 -7.341 109 HE21 GLN 16 HE21 GLN 16 19.818 -19.964 -8.257 110 HE22 GLN 16 HE22 GLN 16 19.946 -21.633 -7.828 111 H GLN 17 H GLN 17 19.033 -14.384 -4.897 112 HA GLN 17 HA GLN 17 20.328 -12.957 -3.688 113 HB2 GLN 17 HB2 GLN 17 20.925 -15.226 -1.803 114 HB3 GLN 17 HB3 GLN 17 20.862 -13.505 -1.450 115 HG2 GLN 17 HG2 GLN 17 18.437 -13.533 -1.850 116 HG3 GLN 17 HG3 GLN 17 18.523 -15.272 -2.130 117 HE21 GLN 17 HE21 GLN 17 16.950 -15.323 -0.374 118 HE22 GLN 17 HE22 GLN 17 17.521 -15.328 1.257 119 H HIS 18 H HIS 18 21.510 -14.281 -5.854 120 HA HIS 18 HA HIS 18 24.260 -14.762 -4.923 121 HB2 HIS 18 HB2 HIS 18 23.440 -16.643 -6.160 122 HB3 HIS 18 HB3 HIS 18 22.836 -15.607 -7.450 123 HD1 HIS 18 HD1 HIS 18 24.459 -14.952 -9.278 124 HD2 HIS 18 HD2 HIS 18 26.280 -16.963 -6.132 125 HE1 HIS 18 HE1 HIS 18 26.789 -15.471 -10.070 126 H ASP 19 H ASP 19 22.928 -13.665 -8.031 127 HA ASP 19 HA ASP 19 25.053 -11.984 -8.669 128 HB2 ASP 19 HB2 ASP 19 23.063 -12.847 -10.120 129 HB3 ASP 19 HB3 ASP 19 22.264 -11.368 -9.591 130 H SER 20 H SER 20 22.339 -11.472 -6.584 131 HA SER 20 HA SER 20 22.402 -8.628 -6.569 132 HB2 SER 20 HB2 SER 20 20.717 -8.751 -5.004 133 HB3 SER 20 HB3 SER 20 20.581 -10.363 -5.708 134 HG SER 20 HG SER 20 21.804 -9.601 -3.276 135 H VAL 21 H VAL 21 24.208 -11.097 -4.942 136 HA VAL 21 HA VAL 21 25.137 -9.653 -2.722 137 HB VAL 21 HB VAL 21 26.596 -11.814 -4.250 138 HG11 VAL 21 HG11 VAL 21 27.215 -10.292 -1.842 139 HG12 VAL 21 HG12 VAL 21 27.264 -12.039 -1.597 140 HG13 VAL 21 HG13 VAL 21 28.259 -11.294 -2.849 141 HG21 VAL 21 HG21 VAL 21 24.360 -12.523 -3.552 142 HG22 VAL 21 HG22 VAL 21 25.614 -13.363 -2.639 143 HG23 VAL 21 HG23 VAL 21 24.722 -12.037 -1.895 144 H LYS 22 H LYS 22 25.969 -9.489 -6.070 145 HA LYS 22 HA LYS 22 28.228 -7.708 -5.430 146 HB2 LYS 22 HB2 LYS 22 28.499 -9.916 -6.851 147 HB3 LYS 22 HB3 LYS 22 27.876 -8.903 -8.147 148 HG2 LYS 22 HG2 LYS 22 30.260 -8.867 -8.235 149 HG3 LYS 22 HG3 LYS 22 29.702 -7.285 -7.684 150 HD2 LYS 22 HD2 LYS 22 30.222 -7.864 -5.391 151 HD3 LYS 22 HD3 LYS 22 30.676 -9.499 -5.878 152 HE2 LYS 22 HE2 LYS 22 32.449 -8.477 -7.323 153 HE3 LYS 22 HE3 LYS 22 32.059 -6.919 -6.596 154 HZ1 LYS 22 HZ1 LYS 22 33.934 -8.504 -5.641 155 HZ2 LYS 22 HZ2 LYS 22 32.621 -9.122 -4.772 156 HZ3 LYS 22 HZ3 LYS 22 33.022 -7.483 -4.646 157 H LEU 23 H LEU 23 25.194 -8.041 -7.064 158 HA LEU 23 HA LEU 23 25.289 -5.192 -7.750 159 HB2 LEU 23 HB2 LEU 23 25.706 -6.876 -9.709 160 HB3 LEU 23 HB3 LEU 23 23.960 -7.100 -9.621 161 HG LEU 23 HG LEU 23 24.583 -5.501 -11.360 162 HD11 LEU 23 HD11 LEU 23 22.936 -3.933 -10.891 163 HD12 LEU 23 HD12 LEU 23 23.298 -3.920 -9.165 164 HD13 LEU 23 HD13 LEU 23 22.481 -5.308 -9.884 165 HD21 LEU 23 HD21 LEU 23 26.445 -4.616 -9.467 166 HD22 LEU 23 HD22 LEU 23 25.304 -3.287 -9.674 167 HD23 LEU 23 HD23 LEU 23 26.147 -3.952 -11.074 168 H GLY 24 H GLY 24 23.967 -4.822 -5.932 169 HA2 GLY 24 HA2 GLY 24 21.290 -4.540 -6.301 170 HA3 GLY 24 HA3 GLY 24 21.435 -6.171 -5.664 171 H THR 25 H THR 25 22.263 -2.794 -4.988 172 HA THR 25 HA THR 25 22.969 -3.222 -2.275 173 HB THR 25 HB THR 25 23.634 -1.212 -3.608 174 HG1 THR 25 HG1 THR 25 22.514 -1.146 -1.049 175 HG21 THR 25 HG21 THR 25 21.321 -0.871 -4.572 176 HG22 THR 25 HG22 THR 25 22.120 0.583 -3.974 177 HG23 THR 25 HG23 THR 25 20.862 -0.193 -3.011 178 H SER 26 H SER 26 19.947 -2.818 -3.914 179 HA SER 26 HA SER 26 18.519 -2.322 -1.413 180 HB2 SER 26 HB2 SER 26 17.101 -2.659 -4.022 181 HB3 SER 26 HB3 SER 26 16.737 -1.576 -2.678 182 HG SER 26 HG SER 26 18.674 -1.298 -4.708 183 H ILE 27 H ILE 27 19.678 -4.935 -2.999 184 HA ILE 27 HA ILE 27 17.382 -6.649 -2.346 185 HB ILE 27 HB ILE 27 19.815 -7.256 -4.031 186 HG12 ILE 27 HG12 ILE 27 17.770 -7.497 -5.729 187 HG13 ILE 27 HG13 ILE 27 17.049 -6.326 -4.631 188 HG21 ILE 27 HG21 ILE 27 18.048 -9.200 -4.626 189 HG22 ILE 27 HG22 ILE 27 19.312 -9.364 -3.408 190 HG23 ILE 27 HG23 ILE 27 17.670 -8.944 -2.922 191 HD11 ILE 27 HD11 ILE 27 19.392 -5.132 -5.005 192 HD12 ILE 27 HD12 ILE 27 19.293 -6.022 -6.524 193 HD13 ILE 27 HD13 ILE 27 18.015 -4.891 -6.080 194 H VAL 28 H VAL 28 20.699 -5.973 -1.550 195 HA VAL 28 HA VAL 28 21.110 -8.374 -0.023 196 HB VAL 28 HB VAL 28 23.167 -7.210 0.791 197 HG11 VAL 28 HG11 VAL 28 23.052 -6.976 -2.190 198 HG12 VAL 28 HG12 VAL 28 24.353 -7.587 -1.166 199 HG13 VAL 28 HG13 VAL 28 22.894 -8.548 -1.408 200 HG21 VAL 28 HG21 VAL 28 23.137 -5.092 -1.158 201 HG22 VAL 28 HG22 VAL 28 21.791 -4.917 -0.032 202 HG23 VAL 28 HG23 VAL 28 23.443 -5.013 0.577 203 H ASP 29 H ASP 29 19.696 -5.300 0.546 204 HA ASP 29 HA ASP 29 19.871 -5.630 3.454 205 HB2 ASP 29 HB2 ASP 29 19.150 -3.335 3.629 206 HB3 ASP 29 HB3 ASP 29 20.452 -3.419 2.445 207 H ILE 30 H ILE 30 18.104 -7.122 1.464 208 HA ILE 30 HA ILE 30 15.579 -6.660 2.907 209 HB ILE 30 HB ILE 30 15.845 -7.362 -0.019 210 HG12 ILE 30 HG12 ILE 30 16.326 -5.005 0.422 211 HG13 ILE 30 HG13 ILE 30 14.778 -5.172 -0.400 212 HG21 ILE 30 HG21 ILE 30 13.850 -8.319 0.270 213 HG22 ILE 30 HG22 ILE 30 13.662 -7.634 1.884 214 HG23 ILE 30 HG23 ILE 30 13.224 -6.682 0.466 215 HD11 ILE 30 HD11 ILE 30 14.279 -5.228 2.381 216 HD12 ILE 30 HD12 ILE 30 15.360 -3.875 2.049 217 HD13 ILE 30 HD13 ILE 30 13.818 -4.000 1.202 218 H VAL 31 H VAL 31 17.479 -8.969 0.991 219 HA VAL 31 HA VAL 31 15.947 -11.236 1.826 220 HB VAL 31 HB VAL 31 17.626 -12.586 0.723 221 HG11 VAL 31 HG11 VAL 31 17.629 -11.458 -1.531 222 HG12 VAL 31 HG12 VAL 31 16.048 -11.631 -0.767 223 HG13 VAL 31 HG13 VAL 31 16.872 -10.072 -0.748 224 HG21 VAL 31 HG21 VAL 31 19.484 -11.003 -0.430 225 HG22 VAL 31 HG22 VAL 31 19.275 -10.176 1.113 226 HG23 VAL 31 HG23 VAL 31 19.738 -11.878 1.080 227 H ALA 32 H ALA 32 18.616 -9.477 3.120 228 HA ALA 32 HA ALA 32 19.048 -11.586 5.134 229 HB1 ALA 32 HB1 ALA 32 20.956 -9.419 4.262 230 HB2 ALA 32 HB2 ALA 32 21.275 -10.651 5.483 231 HB3 ALA 32 HB3 ALA 32 21.040 -11.118 3.798 232 H ASN 33 H ASN 33 18.628 -8.121 4.610 233 HA ASN 33 HA ASN 33 18.485 -7.637 7.481 234 HB2 ASN 33 HB2 ASN 33 19.363 -6.107 5.327 235 HB3 ASN 33 HB3 ASN 33 17.831 -5.365 5.783 236 HD21 ASN 33 HD21 ASN 33 17.584 -4.567 7.910 237 HD22 ASN 33 HD22 ASN 33 18.962 -4.132 8.858 238 H GLY 34 H GLY 34 16.455 -6.787 4.664 239 HA2 GLY 34 HA2 GLY 34 14.170 -6.058 6.036 240 HA3 GLY 34 HA3 GLY 34 14.172 -6.740 4.416 241 H VAL 35 H VAL 35 15.392 -9.261 5.402 242 HA VAL 35 HA VAL 35 13.126 -10.813 5.679 243 HB VAL 35 HB VAL 35 15.405 -11.672 5.141 244 HG11 VAL 35 HG11 VAL 35 15.993 -11.973 8.036 245 HG12 VAL 35 HG12 VAL 35 17.094 -11.843 6.663 246 HG13 VAL 35 HG13 VAL 35 16.294 -10.402 7.293 247 HG21 VAL 35 HG21 VAL 35 15.144 -13.766 6.641 248 HG22 VAL 35 HG22 VAL 35 13.680 -12.968 7.218 249 HG23 VAL 35 HG23 VAL 35 13.855 -13.360 5.507 250 H GLY 36 H GLY 36 14.933 -9.092 8.125 251 HA2 GLY 36 HA2 GLY 36 14.009 -10.397 10.422 252 HA3 GLY 36 HA3 GLY 36 14.521 -8.717 10.350 253 H LEU 37 H LEU 37 12.483 -7.949 8.420 254 HA LEU 37 HA LEU 37 10.237 -7.775 10.289 255 HB2 LEU 37 HB2 LEU 37 11.480 -5.820 8.957 256 HB3 LEU 37 HB3 LEU 37 10.253 -6.233 7.760 257 HG LEU 37 HG LEU 37 8.810 -5.987 10.104 258 HD11 LEU 37 HD11 LEU 37 11.183 -4.833 10.739 259 HD12 LEU 37 HD12 LEU 37 9.629 -4.383 11.440 260 HD13 LEU 37 HD13 LEU 37 10.290 -3.455 10.094 261 HD21 LEU 37 HD21 LEU 37 8.121 -3.786 9.073 262 HD22 LEU 37 HD22 LEU 37 7.983 -5.204 8.033 263 HD23 LEU 37 HD23 LEU 37 9.335 -4.089 7.830 264 H LEU 38 H LEU 38 11.133 -9.079 7.209 265 HA LEU 38 HA LEU 38 8.489 -9.479 6.215 266 HB2 LEU 38 HB2 LEU 38 9.895 -9.579 4.457 267 HB3 LEU 38 HB3 LEU 38 11.226 -10.208 5.426 268 HG LEU 38 HG LEU 38 10.194 -12.453 5.323 269 HD11 LEU 38 HD11 LEU 38 8.429 -11.705 3.096 270 HD12 LEU 38 HD12 LEU 38 7.895 -11.180 4.693 271 HD13 LEU 38 HD13 LEU 38 8.201 -12.889 4.383 272 HD21 LEU 38 HD21 LEU 38 10.409 -11.584 2.492 273 HD22 LEU 38 HD22 LEU 38 11.156 -12.951 3.319 274 HD23 LEU 38 HD23 LEU 38 11.800 -11.324 3.545 275 H GLY 39 H GLY 39 10.817 -11.491 7.965 276 HA2 GLY 39 HA2 GLY 39 9.402 -13.910 7.859 277 HA3 GLY 39 HA3 GLY 39 10.562 -13.467 9.102 278 H LYS 40 H LYS 40 8.996 -11.109 9.911 279 HA LYS 40 HA LYS 40 7.289 -12.445 11.798 280 HB2 LYS 40 HB2 LYS 40 7.818 -9.508 11.313 281 HB3 LYS 40 HB3 LYS 40 6.862 -10.141 12.647 282 HG2 LYS 40 HG2 LYS 40 9.589 -11.235 12.340 283 HG3 LYS 40 HG3 LYS 40 9.456 -9.552 12.856 284 HD2 LYS 40 HD2 LYS 40 9.216 -10.386 14.921 285 HD3 LYS 40 HD3 LYS 40 7.578 -10.807 14.416 286 HE2 LYS 40 HE2 LYS 40 8.069 -13.018 14.200 287 HE3 LYS 40 HE3 LYS 40 9.739 -12.713 13.726 288 HZ1 LYS 40 HZ1 LYS 40 9.977 -13.598 15.818 289 HZ2 LYS 40 HZ2 LYS 40 8.578 -12.867 16.424 290 HZ3 LYS 40 HZ3 LYS 40 9.972 -11.943 16.169 291 H LEU 41 H LEU 41 6.880 -10.705 8.816 292 HA LEU 41 HA LEU 41 4.089 -10.188 9.117 293 HB2 LEU 41 HB2 LEU 41 6.088 -9.995 6.936 294 HB3 LEU 41 HB3 LEU 41 4.390 -10.084 6.473 295 HG LEU 41 HG LEU 41 5.146 -8.072 8.520 296 HD11 LEU 41 HD11 LEU 41 6.296 -8.172 5.836 297 HD12 LEU 41 HD12 LEU 41 6.772 -7.221 7.242 298 HD13 LEU 41 HD13 LEU 41 5.461 -6.663 6.204 299 HD21 LEU 41 HD21 LEU 41 3.450 -6.768 7.302 300 HD22 LEU 41 HD22 LEU 41 2.831 -8.323 7.857 301 HD23 LEU 41 HD23 LEU 41 3.266 -8.101 6.162 302 H PHE 42 H PHE 42 5.995 -12.858 7.949 303 HA PHE 42 HA PHE 42 3.505 -14.308 7.333 304 HB2 PHE 42 HB2 PHE 42 6.202 -14.628 6.000 305 HB3 PHE 42 HB3 PHE 42 4.782 -15.615 5.671 306 HD1 PHE 42 HD1 PHE 42 3.183 -14.932 4.112 307 HD2 PHE 42 HD2 PHE 42 6.088 -12.152 5.509 308 HE1 PHE 42 HE1 PHE 42 2.460 -13.321 2.398 309 HE2 PHE 42 HE2 PHE 42 5.369 -10.537 3.798 310 HZ PHE 42 HZ PHE 42 3.553 -11.120 2.240 311 H GLY 43 H GLY 43 6.917 -15.260 7.707 312 HA2 GLY 43 HA2 GLY 43 7.434 -16.257 9.989 313 HA3 GLY 43 HA3 GLY 43 6.022 -17.258 9.686 314 H PHE 44 H PHE 44 9.374 -16.838 9.147 315 HA PHE 44 HA PHE 44 9.428 -19.060 7.228 316 HB2 PHE 44 HB2 PHE 44 11.275 -16.793 7.822 317 HB3 PHE 44 HB3 PHE 44 11.967 -18.291 7.208 318 HD1 PHE 44 HD1 PHE 44 11.177 -19.180 5.003 319 HD2 PHE 44 HD2 PHE 44 10.166 -15.289 6.403 320 HE1 PHE 44 HE1 PHE 44 10.588 -18.512 2.710 321 HE2 PHE 44 HE2 PHE 44 9.575 -14.615 4.112 322 HZ PHE 44 HZ PHE 44 9.784 -16.227 2.262 Start of MODEL 7 1 H MET 1 H MET 1 1.391 0.343 -3.705 2 HA MET 1 HA MET 1 1.909 -0.164 -0.848 3 HB2 MET 1 HB2 MET 1 -0.305 -1.104 -2.647 4 HB3 MET 1 HB3 MET 1 0.132 -2.017 -1.210 5 HG2 MET 1 HG2 MET 1 -0.657 -0.426 0.217 6 HG3 MET 1 HG3 MET 1 -0.373 0.891 -0.919 7 HE1 MET 1 HE1 MET 1 -2.789 2.046 -0.481 8 HE2 MET 1 HE2 MET 1 -2.090 2.042 -2.100 9 HE3 MET 1 HE3 MET 1 -3.810 1.714 -1.881 10 H THR 2 H THR 2 1.791 -1.669 -4.064 11 HA THR 2 HA THR 2 3.452 -3.875 -3.116 12 HB THR 2 HB THR 2 1.486 -4.339 -4.579 13 HG1 THR 2 HG1 THR 2 3.458 -5.681 -4.495 14 HG21 THR 2 HG21 THR 2 1.638 -2.374 -6.028 15 HG22 THR 2 HG22 THR 2 1.668 -3.859 -6.978 16 HG23 THR 2 HG23 THR 2 3.162 -2.968 -6.686 17 H GLY 3 H GLY 3 5.508 -4.312 -3.862 18 HA2 GLY 3 HA2 GLY 3 7.127 -3.775 -5.734 19 HA3 GLY 3 HA3 GLY 3 6.795 -2.097 -5.331 20 H LEU 4 H LEU 4 6.643 -3.037 -2.413 21 HA LEU 4 HA LEU 4 9.201 -2.235 -1.639 22 HB2 LEU 4 HB2 LEU 4 7.303 -3.957 -0.054 23 HB3 LEU 4 HB3 LEU 4 8.601 -2.950 0.585 24 HG LEU 4 HG LEU 4 6.412 -1.649 -0.964 25 HD11 LEU 4 HD11 LEU 4 6.121 -3.000 1.655 26 HD12 LEU 4 HD12 LEU 4 4.925 -2.690 0.396 27 HD13 LEU 4 HD13 LEU 4 5.413 -1.393 1.487 28 HD21 LEU 4 HD21 LEU 4 8.648 -0.759 0.355 29 HD22 LEU 4 HD22 LEU 4 7.365 -0.483 1.533 30 HD23 LEU 4 HD23 LEU 4 7.250 0.224 -0.080 31 H ALA 5 H ALA 5 7.831 -5.480 -2.007 32 HA ALA 5 HA ALA 5 10.551 -6.580 -1.712 33 HB1 ALA 5 HB1 ALA 5 7.979 -8.086 -1.282 34 HB2 ALA 5 HB2 ALA 5 9.617 -8.608 -0.885 35 HB3 ALA 5 HB3 ALA 5 8.872 -7.285 0.011 36 H GLU 6 H GLU 6 7.721 -6.361 -3.705 37 HA GLU 6 HA GLU 6 8.030 -8.510 -5.420 38 HB2 GLU 6 HB2 GLU 6 6.895 -5.766 -5.718 39 HB3 GLU 6 HB3 GLU 6 7.110 -6.741 -7.165 40 HG2 GLU 6 HG2 GLU 6 5.791 -8.095 -4.914 41 HG3 GLU 6 HG3 GLU 6 4.894 -6.760 -5.636 42 H ALA 7 H ALA 7 9.537 -5.301 -5.613 43 HA ALA 7 HA ALA 7 10.873 -5.538 -8.015 44 HB1 ALA 7 HB1 ALA 7 12.367 -3.834 -7.236 45 HB2 ALA 7 HB2 ALA 7 10.756 -3.494 -6.601 46 HB3 ALA 7 HB3 ALA 7 11.985 -4.202 -5.553 47 H ILE 8 H ILE 8 12.144 -6.376 -4.788 48 HA ILE 8 HA ILE 8 14.587 -7.424 -5.672 49 HB ILE 8 HB ILE 8 13.010 -8.155 -3.202 50 HG12 ILE 8 HG12 ILE 8 15.108 -6.605 -2.394 51 HG13 ILE 8 HG13 ILE 8 14.724 -5.878 -3.950 52 HG21 ILE 8 HG21 ILE 8 15.930 -8.589 -3.820 53 HG22 ILE 8 HG22 ILE 8 15.123 -8.960 -2.297 54 HG23 ILE 8 HG23 ILE 8 14.692 -9.844 -3.761 55 HD11 ILE 8 HD11 ILE 8 12.612 -5.230 -3.267 56 HD12 ILE 8 HD12 ILE 8 12.573 -6.397 -1.944 57 HD13 ILE 8 HD13 ILE 8 13.596 -4.966 -1.828 58 H ALA 9 H ALA 9 11.425 -8.920 -5.259 59 HA ALA 9 HA ALA 9 12.381 -11.576 -5.814 60 HB1 ALA 9 HB1 ALA 9 9.552 -11.308 -6.200 61 HB2 ALA 9 HB2 ALA 9 10.431 -12.170 -4.937 62 HB3 ALA 9 HB3 ALA 9 10.044 -10.461 -4.733 63 H ASN 10 H ASN 10 12.018 -8.941 -7.732 64 HA ASN 10 HA ASN 10 10.834 -10.239 -10.030 65 HB2 ASN 10 HB2 ASN 10 10.744 -7.708 -9.354 66 HB3 ASN 10 HB3 ASN 10 12.300 -7.627 -10.175 67 HD21 ASN 10 HD21 ASN 10 9.873 -6.316 -10.923 68 HD22 ASN 10 HD22 ASN 10 9.446 -6.893 -12.495 69 H THR 11 H THR 11 13.890 -10.104 -8.621 70 HA THR 11 HA THR 11 15.180 -10.831 -11.171 71 HB THR 11 HB THR 11 16.072 -8.751 -10.107 72 HG1 THR 11 HG1 THR 11 17.788 -11.015 -10.324 73 HG21 THR 11 HG21 THR 11 15.878 -10.179 -7.757 74 HG22 THR 11 HG22 THR 11 16.745 -8.659 -7.971 75 HG23 THR 11 HG23 THR 11 17.609 -10.191 -8.089 76 H VAL 12 H VAL 12 14.467 -11.776 -7.928 77 HA VAL 12 HA VAL 12 16.417 -13.739 -7.502 78 HB VAL 12 HB VAL 12 14.944 -14.683 -5.841 79 HG11 VAL 12 HG11 VAL 12 15.445 -11.830 -6.047 80 HG12 VAL 12 HG12 VAL 12 14.067 -12.200 -5.009 81 HG13 VAL 12 HG13 VAL 12 15.643 -12.917 -4.673 82 HG21 VAL 12 HG21 VAL 12 12.604 -13.555 -5.660 83 HG22 VAL 12 HG22 VAL 12 12.832 -13.229 -7.378 84 HG23 VAL 12 HG23 VAL 12 12.845 -14.890 -6.787 85 H GLN 13 H GLN 13 13.743 -13.677 -9.643 86 HA GLN 13 HA GLN 13 12.991 -16.316 -9.875 87 HB2 GLN 13 HB2 GLN 13 13.346 -14.292 -12.091 88 HB3 GLN 13 HB3 GLN 13 12.450 -15.798 -12.238 89 HG2 GLN 13 HG2 GLN 13 11.181 -14.797 -10.134 90 HG3 GLN 13 HG3 GLN 13 11.729 -13.284 -10.854 91 HE21 GLN 13 HE21 GLN 13 9.483 -15.827 -10.993 92 HE22 GLN 13 HE22 GLN 13 8.647 -15.328 -12.420 93 H ALA 14 H ALA 14 15.868 -14.731 -11.124 94 HA ALA 14 HA ALA 14 16.911 -17.379 -11.881 95 HB1 ALA 14 HB1 ALA 14 17.861 -16.574 -13.858 96 HB2 ALA 14 HB2 ALA 14 16.250 -15.856 -13.830 97 HB3 ALA 14 HB3 ALA 14 17.654 -14.889 -13.380 98 H ALA 15 H ALA 15 17.186 -15.604 -9.468 99 HA ALA 15 HA ALA 15 20.122 -15.614 -9.405 100 HB1 ALA 15 HB1 ALA 15 18.599 -13.280 -9.473 101 HB2 ALA 15 HB2 ALA 15 19.077 -13.470 -7.786 102 HB3 ALA 15 HB3 ALA 15 20.305 -13.428 -9.051 103 H GLN 16 H GLN 16 17.094 -15.539 -7.579 104 HA GLN 16 HA GLN 16 16.499 -16.416 -5.567 105 HB2 GLN 16 HB2 GLN 16 18.973 -18.128 -5.803 106 HB3 GLN 16 HB3 GLN 16 17.520 -18.473 -4.876 107 HG2 GLN 16 HG2 GLN 16 16.290 -18.463 -7.102 108 HG3 GLN 16 HG3 GLN 16 17.886 -18.514 -7.850 109 HE21 GLN 16 HE21 GLN 16 17.130 -20.542 -8.741 110 HE22 GLN 16 HE22 GLN 16 17.254 -21.982 -7.795 111 H GLN 17 H GLN 17 18.140 -14.071 -5.607 112 HA GLN 17 HA GLN 17 19.194 -12.689 -4.139 113 HB2 GLN 17 HB2 GLN 17 18.908 -14.823 -2.035 114 HB3 GLN 17 HB3 GLN 17 18.978 -13.079 -1.817 115 HG2 GLN 17 HG2 GLN 17 16.792 -12.823 -2.792 116 HG3 GLN 17 HG3 GLN 17 16.724 -14.544 -3.168 117 HE21 GLN 17 HE21 GLN 17 15.410 -12.411 -1.231 118 HE22 GLN 17 HE22 GLN 17 15.199 -13.337 0.213 119 H HIS 18 H HIS 18 20.762 -14.325 -5.776 120 HA HIS 18 HA HIS 18 23.033 -15.030 -4.042 121 HB2 HIS 18 HB2 HIS 18 22.389 -16.920 -5.344 122 HB3 HIS 18 HB3 HIS 18 22.269 -15.954 -6.811 123 HD1 HIS 18 HD1 HIS 18 24.161 -16.341 -8.335 124 HD2 HIS 18 HD2 HIS 18 25.284 -16.782 -4.360 125 HE1 HIS 18 HE1 HIS 18 26.597 -16.965 -8.390 126 H ASP 19 H ASP 19 22.502 -13.780 -7.344 127 HA ASP 19 HA ASP 19 24.985 -12.651 -7.744 128 HB2 ASP 19 HB2 ASP 19 23.282 -12.848 -9.505 129 HB3 ASP 19 HB3 ASP 19 22.323 -11.595 -8.721 130 H SER 20 H SER 20 22.316 -11.462 -5.844 131 HA SER 20 HA SER 20 23.038 -8.772 -5.612 132 HB2 SER 20 HB2 SER 20 21.727 -8.807 -3.500 133 HB3 SER 20 HB3 SER 20 20.877 -9.583 -4.836 134 HG SER 20 HG SER 20 20.966 -11.426 -3.817 135 H VAL 21 H VAL 21 24.188 -11.627 -3.919 136 HA VAL 21 HA VAL 21 25.532 -10.484 -1.789 137 HB VAL 21 HB VAL 21 25.253 -12.979 -2.420 138 HG11 VAL 21 HG11 VAL 21 26.640 -12.525 -4.567 139 HG12 VAL 21 HG12 VAL 21 28.030 -12.702 -3.494 140 HG13 VAL 21 HG13 VAL 21 26.882 -14.030 -3.680 141 HG21 VAL 21 HG21 VAL 21 26.276 -13.032 -0.443 142 HG22 VAL 21 HG22 VAL 21 27.800 -13.155 -1.322 143 HG23 VAL 21 HG23 VAL 21 27.204 -11.577 -0.808 144 H LYS 22 H LYS 22 26.354 -10.496 -5.166 145 HA LYS 22 HA LYS 22 28.957 -9.266 -4.561 146 HB2 LYS 22 HB2 LYS 22 28.539 -11.352 -6.175 147 HB3 LYS 22 HB3 LYS 22 28.235 -10.067 -7.336 148 HG2 LYS 22 HG2 LYS 22 30.411 -9.266 -7.212 149 HG3 LYS 22 HG3 LYS 22 30.718 -10.062 -5.667 150 HD2 LYS 22 HD2 LYS 22 30.166 -11.623 -8.174 151 HD3 LYS 22 HD3 LYS 22 31.791 -11.076 -7.756 152 HE2 LYS 22 HE2 LYS 22 31.748 -12.322 -5.709 153 HE3 LYS 22 HE3 LYS 22 30.047 -12.726 -5.934 154 HZ1 LYS 22 HZ1 LYS 22 31.277 -13.617 -8.209 155 HZ2 LYS 22 HZ2 LYS 22 30.766 -14.571 -6.909 156 HZ3 LYS 22 HZ3 LYS 22 32.364 -14.021 -6.977 157 H LEU 23 H LEU 23 25.871 -8.765 -6.086 158 HA LEU 23 HA LEU 23 26.362 -5.931 -6.236 159 HB2 LEU 23 HB2 LEU 23 27.130 -7.248 -8.432 160 HB3 LEU 23 HB3 LEU 23 25.418 -7.058 -8.807 161 HG LEU 23 HG LEU 23 26.753 -5.295 -9.829 162 HD11 LEU 23 HD11 LEU 23 25.475 -3.398 -9.057 163 HD12 LEU 23 HD12 LEU 23 25.079 -4.236 -7.557 164 HD13 LEU 23 HD13 LEU 23 24.447 -4.831 -9.092 165 HD21 LEU 23 HD21 LEU 23 28.363 -5.415 -7.699 166 HD22 LEU 23 HD22 LEU 23 27.373 -4.034 -7.226 167 HD23 LEU 23 HD23 LEU 23 28.265 -4.001 -8.748 168 H GLY 24 H GLY 24 24.614 -5.445 -5.022 169 HA2 GLY 24 HA2 GLY 24 22.077 -5.286 -6.127 170 HA3 GLY 24 HA3 GLY 24 22.116 -6.788 -5.215 171 H THR 25 H THR 25 22.778 -3.313 -4.903 172 HA THR 25 HA THR 25 22.856 -3.241 -2.097 173 HB THR 25 HB THR 25 23.636 -1.399 -3.598 174 HG1 THR 25 HG1 THR 25 22.025 -1.071 -1.344 175 HG21 THR 25 HG21 THR 25 22.110 0.150 -4.552 176 HG22 THR 25 HG22 THR 25 20.737 -0.587 -3.725 177 HG23 THR 25 HG23 THR 25 21.550 -1.452 -5.029 178 H SER 26 H SER 26 20.197 -3.226 -4.358 179 HA SER 26 HA SER 26 18.279 -2.644 -2.230 180 HB2 SER 26 HB2 SER 26 17.838 -3.035 -5.201 181 HB3 SER 26 HB3 SER 26 16.612 -2.533 -4.037 182 HG SER 26 HG SER 26 18.195 -0.752 -3.582 183 H ILE 27 H ILE 27 19.837 -5.174 -2.435 184 HA ILE 27 HA ILE 27 17.549 -6.986 -2.228 185 HB ILE 27 HB ILE 27 20.053 -7.710 -3.753 186 HG12 ILE 27 HG12 ILE 27 18.111 -7.953 -5.577 187 HG13 ILE 27 HG13 ILE 27 17.395 -6.674 -4.602 188 HG21 ILE 27 HG21 ILE 27 18.371 -9.641 -4.394 189 HG22 ILE 27 HG22 ILE 27 19.356 -9.725 -2.935 190 HG23 ILE 27 HG23 ILE 27 17.668 -9.225 -2.832 191 HD11 ILE 27 HD11 ILE 27 18.544 -5.399 -6.072 192 HD12 ILE 27 HD12 ILE 27 19.825 -5.644 -4.885 193 HD13 ILE 27 HD13 ILE 27 19.778 -6.628 -6.348 194 H VAL 28 H VAL 28 21.009 -6.472 -1.695 195 HA VAL 28 HA VAL 28 21.441 -8.617 0.067 196 HB VAL 28 HB VAL 28 23.419 -7.354 0.848 197 HG11 VAL 28 HG11 VAL 28 23.787 -6.839 -1.955 198 HG12 VAL 28 HG12 VAL 28 24.465 -8.125 -0.955 199 HG13 VAL 28 HG13 VAL 28 22.891 -8.339 -1.721 200 HG21 VAL 28 HG21 VAL 28 23.607 -5.191 -0.836 201 HG22 VAL 28 HG22 VAL 28 21.923 -5.138 -0.315 202 HG23 VAL 28 HG23 VAL 28 23.218 -5.126 0.882 203 H ASP 29 H ASP 29 20.144 -5.407 0.561 204 HA ASP 29 HA ASP 29 20.067 -5.823 3.460 205 HB2 ASP 29 HB2 ASP 29 19.694 -3.508 3.694 206 HB3 ASP 29 HB3 ASP 29 20.866 -3.637 2.385 207 H ILE 30 H ILE 30 18.345 -7.212 1.436 208 HA ILE 30 HA ILE 30 15.742 -6.423 2.570 209 HB ILE 30 HB ILE 30 16.260 -7.491 -0.207 210 HG12 ILE 30 HG12 ILE 30 16.852 -5.142 -0.019 211 HG13 ILE 30 HG13 ILE 30 15.351 -5.295 -0.926 212 HG21 ILE 30 HG21 ILE 30 14.164 -8.220 -0.170 213 HG22 ILE 30 HG22 ILE 30 13.915 -7.557 1.444 214 HG23 ILE 30 HG23 ILE 30 13.631 -6.550 0.024 215 HD11 ILE 30 HD11 ILE 30 14.599 -5.001 1.751 216 HD12 ILE 30 HD12 ILE 30 15.885 -3.827 1.469 217 HD13 ILE 30 HD13 ILE 30 14.447 -3.823 0.448 218 H VAL 31 H VAL 31 17.623 -9.088 1.169 219 HA VAL 31 HA VAL 31 15.828 -11.125 2.036 220 HB VAL 31 HB VAL 31 17.268 -11.586 0.169 221 HG11 VAL 31 HG11 VAL 31 19.796 -11.942 0.815 222 HG12 VAL 31 HG12 VAL 31 19.189 -10.352 0.349 223 HG13 VAL 31 HG13 VAL 31 19.414 -10.747 2.053 224 HG21 VAL 31 HG21 VAL 31 18.228 -13.243 2.497 225 HG22 VAL 31 HG22 VAL 31 16.662 -13.448 1.711 226 HG23 VAL 31 HG23 VAL 31 18.148 -13.726 0.803 227 H ALA 32 H ALA 32 18.416 -9.393 3.526 228 HA ALA 32 HA ALA 32 18.362 -11.250 5.814 229 HB1 ALA 32 HB1 ALA 32 20.541 -9.245 5.442 230 HB2 ALA 32 HB2 ALA 32 20.576 -10.806 6.263 231 HB3 ALA 32 HB3 ALA 32 20.556 -10.737 4.501 232 H ASN 33 H ASN 33 18.345 -7.846 4.858 233 HA ASN 33 HA ASN 33 17.825 -6.984 7.581 234 HB2 ASN 33 HB2 ASN 33 18.662 -5.720 5.080 235 HB3 ASN 33 HB3 ASN 33 17.465 -4.775 5.960 236 HD21 ASN 33 HD21 ASN 33 20.672 -6.093 5.997 237 HD22 ASN 33 HD22 ASN 33 21.253 -5.180 7.344 238 H GLY 34 H GLY 34 16.184 -6.420 4.456 239 HA2 GLY 34 HA2 GLY 34 13.783 -5.480 5.466 240 HA3 GLY 34 HA3 GLY 34 13.953 -6.308 3.926 241 H VAL 35 H VAL 35 14.937 -8.765 5.270 242 HA VAL 35 HA VAL 35 12.470 -10.099 5.521 243 HB VAL 35 HB VAL 35 14.631 -11.185 4.889 244 HG11 VAL 35 HG11 VAL 35 15.378 -11.726 7.664 245 HG12 VAL 35 HG12 VAL 35 16.388 -11.336 6.270 246 HG13 VAL 35 HG13 VAL 35 15.600 -10.045 7.178 247 HG21 VAL 35 HG21 VAL 35 14.069 -13.059 6.876 248 HG22 VAL 35 HG22 VAL 35 12.551 -12.200 6.613 249 HG23 VAL 35 HG23 VAL 35 13.369 -12.981 5.259 250 H GLY 36 H GLY 36 14.426 -8.393 7.806 251 HA2 GLY 36 HA2 GLY 36 13.610 -9.615 10.197 252 HA3 GLY 36 HA3 GLY 36 14.158 -7.952 10.042 253 H LEU 37 H LEU 37 11.833 -7.686 8.007 254 HA LEU 37 HA LEU 37 9.906 -6.817 10.003 255 HB2 LEU 37 HB2 LEU 37 10.750 -5.637 7.759 256 HB3 LEU 37 HB3 LEU 37 9.362 -6.506 7.108 257 HG LEU 37 HG LEU 37 8.995 -4.802 9.529 258 HD11 LEU 37 HD11 LEU 37 10.285 -3.633 7.543 259 HD12 LEU 37 HD12 LEU 37 8.996 -2.810 8.421 260 HD13 LEU 37 HD13 LEU 37 8.662 -3.550 6.856 261 HD21 LEU 37 HD21 LEU 37 7.368 -6.155 7.540 262 HD22 LEU 37 HD22 LEU 37 6.911 -4.464 7.749 263 HD23 LEU 37 HD23 LEU 37 6.932 -5.552 9.139 264 H LEU 38 H LEU 38 10.176 -9.135 7.371 265 HA LEU 38 HA LEU 38 7.427 -9.988 7.618 266 HB2 LEU 38 HB2 LEU 38 7.812 -11.354 5.788 267 HB3 LEU 38 HB3 LEU 38 8.864 -9.971 5.494 268 HG LEU 38 HG LEU 38 10.625 -11.571 6.703 269 HD11 LEU 38 HD11 LEU 38 10.040 -13.701 6.869 270 HD12 LEU 38 HD12 LEU 38 9.588 -13.751 5.165 271 HD13 LEU 38 HD13 LEU 38 8.405 -13.259 6.377 272 HD21 LEU 38 HD21 LEU 38 11.450 -12.143 4.525 273 HD22 LEU 38 HD22 LEU 38 10.769 -10.518 4.456 274 HD23 LEU 38 HD23 LEU 38 9.862 -11.883 3.804 275 H GLY 39 H GLY 39 10.500 -10.853 8.940 276 HA2 GLY 39 HA2 GLY 39 10.177 -13.521 9.593 277 HA3 GLY 39 HA3 GLY 39 11.072 -12.366 10.570 278 H LYS 40 H LYS 40 8.607 -10.740 10.979 279 HA LYS 40 HA LYS 40 7.700 -12.113 13.337 280 HB2 LYS 40 HB2 LYS 40 6.761 -9.504 12.129 281 HB3 LYS 40 HB3 LYS 40 6.371 -10.090 13.741 282 HG2 LYS 40 HG2 LYS 40 9.122 -9.384 12.739 283 HG3 LYS 40 HG3 LYS 40 8.119 -8.402 13.809 284 HD2 LYS 40 HD2 LYS 40 8.120 -10.351 15.409 285 HD3 LYS 40 HD3 LYS 40 9.350 -11.091 14.382 286 HE2 LYS 40 HE2 LYS 40 9.602 -8.370 15.656 287 HE3 LYS 40 HE3 LYS 40 10.267 -9.853 16.339 288 HZ1 LYS 40 HZ1 LYS 40 12.059 -9.492 15.112 289 HZ2 LYS 40 HZ2 LYS 40 11.336 -8.190 14.311 290 HZ3 LYS 40 HZ3 LYS 40 11.135 -9.763 13.721 291 H LEU 41 H LEU 41 6.471 -11.482 10.127 292 HA LEU 41 HA LEU 41 3.769 -12.201 10.666 293 HB2 LEU 41 HB2 LEU 41 5.394 -11.918 8.161 294 HB3 LEU 41 HB3 LEU 41 3.736 -12.514 8.115 295 HG LEU 41 HG LEU 41 4.234 -9.930 9.493 296 HD11 LEU 41 HD11 LEU 41 3.732 -9.555 6.667 297 HD12 LEU 41 HD12 LEU 41 5.293 -10.319 6.964 298 HD13 LEU 41 HD13 LEU 41 4.911 -8.772 7.720 299 HD21 LEU 41 HD21 LEU 41 2.012 -11.311 9.039 300 HD22 LEU 41 HD22 LEU 41 2.075 -10.419 7.519 301 HD23 LEU 41 HD23 LEU 41 2.036 -9.547 9.052 302 H PHE 42 H PHE 42 6.656 -13.970 9.871 303 HA PHE 42 HA PHE 42 5.079 -16.450 9.688 304 HB2 PHE 42 HB2 PHE 42 7.842 -15.832 8.623 305 HB3 PHE 42 HB3 PHE 42 7.076 -17.416 8.554 306 HD1 PHE 42 HD1 PHE 42 5.716 -17.984 6.761 307 HD2 PHE 42 HD2 PHE 42 6.639 -13.891 7.473 308 HE1 PHE 42 HE1 PHE 42 4.653 -17.377 4.627 309 HE2 PHE 42 HE2 PHE 42 5.577 -13.277 5.340 310 HZ PHE 42 HZ PHE 42 4.581 -15.021 3.914 311 H GLY 43 H GLY 43 8.484 -15.786 10.483 312 HA2 GLY 43 HA2 GLY 43 8.824 -15.955 13.059 313 HA3 GLY 43 HA3 GLY 43 8.204 -17.578 12.793 314 H PHE 44 H PHE 44 10.518 -15.543 11.006 315 HA PHE 44 HA PHE 44 12.206 -17.678 10.319 316 HB2 PHE 44 HB2 PHE 44 12.286 -14.744 10.135 317 HB3 PHE 44 HB3 PHE 44 13.869 -15.508 10.232 318 HD1 PHE 44 HD1 PHE 44 13.939 -17.761 8.680 319 HD2 PHE 44 HD2 PHE 44 11.569 -14.288 8.017 320 HE1 PHE 44 HE1 PHE 44 13.826 -18.300 6.282 321 HE2 PHE 44 HE2 PHE 44 11.451 -14.822 5.618 322 HZ PHE 44 HZ PHE 44 12.579 -16.831 4.748 Start of MODEL 8 1 H MET 1 H MET 1 -1.105 -0.758 -3.047 2 HA MET 1 HA MET 1 0.957 -1.345 -4.397 3 HB2 MET 1 HB2 MET 1 1.858 0.973 -4.427 4 HB3 MET 1 HB3 MET 1 0.107 0.904 -4.581 5 HG2 MET 1 HG2 MET 1 -0.137 1.485 -2.232 6 HG3 MET 1 HG3 MET 1 1.616 1.520 -2.051 7 HE1 MET 1 HE1 MET 1 -0.504 3.629 -1.263 8 HE2 MET 1 HE2 MET 1 1.113 4.300 -1.043 9 HE3 MET 1 HE3 MET 1 -0.102 5.204 -1.949 10 H THR 2 H THR 2 1.510 -2.828 -2.188 11 HA THR 2 HA THR 2 3.823 -1.748 -0.821 12 HB THR 2 HB THR 2 2.314 -3.178 0.442 13 HG1 THR 2 HG1 THR 2 4.053 -4.917 0.881 14 HG21 THR 2 HG21 THR 2 3.077 -5.701 -0.809 15 HG22 THR 2 HG22 THR 2 2.123 -4.665 -1.870 16 HG23 THR 2 HG23 THR 2 1.492 -5.130 -0.291 17 H GLY 3 H GLY 3 5.864 -3.016 -0.732 18 HA2 GLY 3 HA2 GLY 3 6.706 -4.972 -2.440 19 HA3 GLY 3 HA3 GLY 3 6.801 -3.506 -3.405 20 H LEU 4 H LEU 4 7.431 -3.840 0.057 21 HA LEU 4 HA LEU 4 9.971 -2.514 -0.256 22 HB2 LEU 4 HB2 LEU 4 8.413 -3.547 2.088 23 HB3 LEU 4 HB3 LEU 4 10.074 -2.987 2.271 24 HG LEU 4 HG LEU 4 7.788 -1.306 1.244 25 HD11 LEU 4 HD11 LEU 4 9.132 -1.261 3.941 26 HD12 LEU 4 HD12 LEU 4 7.533 -1.929 3.615 27 HD13 LEU 4 HD13 LEU 4 7.830 -0.205 3.391 28 HD21 LEU 4 HD21 LEU 4 10.698 -0.805 1.728 29 HD22 LEU 4 HD22 LEU 4 9.528 0.507 1.869 30 HD23 LEU 4 HD23 LEU 4 9.701 -0.360 0.343 31 H ALA 5 H ALA 5 8.837 -5.748 0.612 32 HA ALA 5 HA ALA 5 11.619 -6.703 0.396 33 HB1 ALA 5 HB1 ALA 5 9.427 -8.114 1.895 34 HB2 ALA 5 HB2 ALA 5 11.167 -8.397 1.974 35 HB3 ALA 5 HB3 ALA 5 10.482 -6.919 2.649 36 H GLU 6 H GLU 6 8.359 -7.020 -0.718 37 HA GLU 6 HA GLU 6 8.477 -9.574 -1.875 38 HB2 GLU 6 HB2 GLU 6 6.814 -7.133 -2.332 39 HB3 GLU 6 HB3 GLU 6 6.730 -8.446 -3.498 40 HG2 GLU 6 HG2 GLU 6 6.444 -9.129 -0.628 41 HG3 GLU 6 HG3 GLU 6 5.106 -8.297 -1.419 42 H ALA 7 H ALA 7 9.162 -6.374 -3.261 43 HA ALA 7 HA ALA 7 9.724 -7.104 -5.864 44 HB1 ALA 7 HB1 ALA 7 10.763 -5.039 -6.119 45 HB2 ALA 7 HB2 ALA 7 9.648 -4.771 -4.778 46 HB3 ALA 7 HB3 ALA 7 11.364 -5.027 -4.460 47 H ILE 8 H ILE 8 11.817 -7.242 -3.024 48 HA ILE 8 HA ILE 8 14.143 -8.039 -4.491 49 HB ILE 8 HB ILE 8 13.538 -8.195 -1.537 50 HG12 ILE 8 HG12 ILE 8 15.364 -6.299 -1.665 51 HG13 ILE 8 HG13 ILE 8 14.797 -6.151 -3.324 52 HG21 ILE 8 HG21 ILE 8 16.154 -8.585 -2.984 53 HG22 ILE 8 HG22 ILE 8 15.942 -8.528 -1.235 54 HG23 ILE 8 HG23 ILE 8 15.222 -9.840 -2.168 55 HD11 ILE 8 HD11 ILE 8 13.755 -4.654 -1.524 56 HD12 ILE 8 HD12 ILE 8 12.682 -5.464 -2.666 57 HD13 ILE 8 HD13 ILE 8 12.877 -6.101 -1.034 58 H ALA 9 H ALA 9 11.553 -9.693 -2.797 59 HA ALA 9 HA ALA 9 12.809 -12.281 -2.973 60 HB1 ALA 9 HB1 ALA 9 9.986 -12.445 -2.504 61 HB2 ALA 9 HB2 ALA 9 11.323 -12.813 -1.413 62 HB3 ALA 9 HB3 ALA 9 10.688 -11.170 -1.508 63 H ASN 10 H ASN 10 11.505 -10.347 -5.255 64 HA ASN 10 HA ASN 10 9.963 -12.329 -6.692 65 HB2 ASN 10 HB2 ASN 10 9.708 -9.694 -6.647 66 HB3 ASN 10 HB3 ASN 10 10.874 -9.783 -7.965 67 HD21 ASN 10 HD21 ASN 10 10.057 -9.953 -9.915 68 HD22 ASN 10 HD22 ASN 10 8.494 -10.569 -10.317 69 H THR 11 H THR 11 13.225 -11.503 -6.389 70 HA THR 11 HA THR 11 13.871 -12.807 -8.953 71 HB THR 11 HB THR 11 14.673 -10.449 -8.724 72 HG1 THR 11 HG1 THR 11 16.463 -12.619 -9.036 73 HG21 THR 11 HG21 THR 11 15.983 -9.733 -7.030 74 HG22 THR 11 HG22 THR 11 16.875 -11.253 -6.944 75 HG23 THR 11 HG23 THR 11 15.298 -11.110 -6.167 76 H VAL 12 H VAL 12 14.258 -12.875 -5.517 77 HA VAL 12 HA VAL 12 16.528 -14.465 -5.236 78 HB VAL 12 HB VAL 12 15.681 -15.105 -3.061 79 HG11 VAL 12 HG11 VAL 12 15.604 -12.346 -4.020 80 HG12 VAL 12 HG12 VAL 12 14.706 -12.607 -2.523 81 HG13 VAL 12 HG13 VAL 12 16.414 -13.037 -2.614 82 HG21 VAL 12 HG21 VAL 12 13.311 -14.151 -2.501 83 HG22 VAL 12 HG22 VAL 12 13.059 -14.303 -4.240 84 HG23 VAL 12 HG23 VAL 12 13.474 -15.724 -3.281 85 H GLN 13 H GLN 13 13.377 -15.266 -6.387 86 HA GLN 13 HA GLN 13 13.152 -17.957 -5.827 87 HB2 GLN 13 HB2 GLN 13 12.371 -16.472 -8.339 88 HB3 GLN 13 HB3 GLN 13 11.859 -18.112 -7.964 89 HG2 GLN 13 HG2 GLN 13 11.143 -16.770 -5.702 90 HG3 GLN 13 HG3 GLN 13 10.877 -15.556 -6.953 91 HE21 GLN 13 HE21 GLN 13 8.882 -16.816 -5.358 92 HE22 GLN 13 HE22 GLN 13 7.840 -17.687 -6.425 93 H ALA 14 H ALA 14 14.939 -16.407 -8.465 94 HA ALA 14 HA ALA 14 16.150 -19.015 -9.098 95 HB1 ALA 14 HB1 ALA 14 14.922 -17.876 -10.935 96 HB2 ALA 14 HB2 ALA 14 16.089 -16.556 -10.840 97 HB3 ALA 14 HB3 ALA 14 16.622 -18.175 -11.295 98 H ALA 15 H ALA 15 16.800 -15.694 -8.217 99 HA ALA 15 HA ALA 15 19.624 -15.813 -8.610 100 HB1 ALA 15 HB1 ALA 15 17.851 -13.793 -8.209 101 HB2 ALA 15 HB2 ALA 15 18.638 -13.886 -6.632 102 HB3 ALA 15 HB3 ALA 15 19.604 -13.631 -8.086 103 H GLN 16 H GLN 16 17.532 -16.053 -5.744 104 HA GLN 16 HA GLN 16 17.872 -16.942 -3.679 105 HB2 GLN 16 HB2 GLN 16 20.166 -18.416 -4.981 106 HB3 GLN 16 HB3 GLN 16 19.362 -18.848 -3.478 107 HG2 GLN 16 HG2 GLN 16 17.282 -19.237 -4.729 108 HG3 GLN 16 HG3 GLN 16 18.136 -18.868 -6.226 109 HE21 GLN 16 HE21 GLN 16 18.216 -20.747 -7.264 110 HE22 GLN 16 HE22 GLN 16 18.852 -22.219 -6.620 111 H GLN 17 H GLN 17 19.065 -14.443 -4.256 112 HA GLN 17 HA GLN 17 20.477 -12.930 -3.314 113 HB2 GLN 17 HB2 GLN 17 21.298 -15.059 -1.348 114 HB3 GLN 17 HB3 GLN 17 21.281 -13.315 -1.119 115 HG2 GLN 17 HG2 GLN 17 18.841 -13.327 -1.189 116 HG3 GLN 17 HG3 GLN 17 18.857 -15.074 -1.422 117 HE21 GLN 17 HE21 GLN 17 20.736 -12.975 0.722 118 HE22 GLN 17 HE22 GLN 17 20.251 -13.746 2.190 119 H HIS 18 H HIS 18 21.403 -14.506 -5.481 120 HA HIS 18 HA HIS 18 24.244 -14.908 -4.847 121 HB2 HIS 18 HB2 HIS 18 23.268 -16.844 -5.875 122 HB3 HIS 18 HB3 HIS 18 22.548 -15.871 -7.155 123 HD1 HIS 18 HD1 HIS 18 23.881 -15.631 -9.244 124 HD2 HIS 18 HD2 HIS 18 26.193 -16.935 -6.048 125 HE1 HIS 18 HE1 HIS 18 26.136 -16.166 -10.220 126 H ASP 19 H ASP 19 22.569 -13.965 -7.839 127 HA ASP 19 HA ASP 19 24.637 -12.319 -8.762 128 HB2 ASP 19 HB2 ASP 19 21.750 -11.906 -9.507 129 HB3 ASP 19 HB3 ASP 19 23.183 -11.683 -10.505 130 H SER 20 H SER 20 21.913 -11.666 -6.674 131 HA SER 20 HA SER 20 21.900 -8.863 -6.821 132 HB2 SER 20 HB2 SER 20 20.746 -8.958 -4.624 133 HB3 SER 20 HB3 SER 20 20.066 -10.092 -5.791 134 HG SER 20 HG SER 20 22.020 -10.806 -3.865 135 H VAL 21 H VAL 21 24.076 -11.056 -5.305 136 HA VAL 21 HA VAL 21 25.118 -9.393 -3.281 137 HB VAL 21 HB VAL 21 26.517 -11.596 -4.806 138 HG11 VAL 21 HG11 VAL 21 27.258 -9.961 -2.434 139 HG12 VAL 21 HG12 VAL 21 27.720 -11.664 -2.460 140 HG13 VAL 21 HG13 VAL 21 28.268 -10.581 -3.740 141 HG21 VAL 21 HG21 VAL 21 24.426 -12.308 -3.710 142 HG22 VAL 21 HG22 VAL 21 25.852 -13.049 -2.984 143 HG23 VAL 21 HG23 VAL 21 25.047 -11.706 -2.173 144 H LYS 22 H LYS 22 25.561 -9.446 -6.705 145 HA LYS 22 HA LYS 22 27.568 -7.308 -6.451 146 HB2 LYS 22 HB2 LYS 22 28.327 -9.679 -7.324 147 HB3 LYS 22 HB3 LYS 22 27.603 -9.122 -8.827 148 HG2 LYS 22 HG2 LYS 22 29.080 -7.193 -8.847 149 HG3 LYS 22 HG3 LYS 22 29.782 -7.700 -7.309 150 HD2 LYS 22 HD2 LYS 22 30.380 -9.879 -8.490 151 HD3 LYS 22 HD3 LYS 22 29.992 -9.040 -9.993 152 HE2 LYS 22 HE2 LYS 22 31.651 -7.308 -9.419 153 HE3 LYS 22 HE3 LYS 22 32.065 -8.212 -7.963 154 HZ1 LYS 22 HZ1 LYS 22 33.295 -9.652 -9.122 155 HZ2 LYS 22 HZ2 LYS 22 33.280 -8.490 -10.351 156 HZ3 LYS 22 HZ3 LYS 22 32.175 -9.770 -10.385 157 H LEU 23 H LEU 23 24.511 -7.884 -7.204 158 HA LEU 23 HA LEU 23 24.489 -6.004 -9.474 159 HB2 LEU 23 HB2 LEU 23 22.660 -8.279 -8.778 160 HB3 LEU 23 HB3 LEU 23 22.161 -6.989 -9.870 161 HG LEU 23 HG LEU 23 24.476 -8.877 -10.302 162 HD11 LEU 23 HD11 LEU 23 22.142 -9.818 -10.503 163 HD12 LEU 23 HD12 LEU 23 23.152 -9.942 -11.942 164 HD13 LEU 23 HD13 LEU 23 21.902 -8.702 -11.847 165 HD21 LEU 23 HD21 LEU 23 25.183 -7.069 -11.487 166 HD22 LEU 23 HD22 LEU 23 23.555 -6.420 -11.687 167 HD23 LEU 23 HD23 LEU 23 24.095 -7.771 -12.686 168 H GLY 24 H GLY 24 24.669 -5.120 -6.808 169 HA2 GLY 24 HA2 GLY 24 23.299 -3.002 -6.393 170 HA3 GLY 24 HA3 GLY 24 21.949 -4.119 -6.265 171 H THR 25 H THR 25 23.727 -2.258 -4.424 172 HA THR 25 HA THR 25 24.223 -4.205 -2.289 173 HB THR 25 HB THR 25 26.041 -2.613 -2.844 174 HG1 THR 25 HG1 THR 25 24.847 -2.388 -0.267 175 HG21 THR 25 HG21 THR 25 25.855 -0.279 -2.384 176 HG22 THR 25 HG22 THR 25 24.250 -0.484 -1.680 177 HG23 THR 25 HG23 THR 25 24.490 -0.714 -3.412 178 H SER 26 H SER 26 21.895 -1.991 -3.307 179 HA SER 26 HA SER 26 20.921 -1.425 -0.613 180 HB2 SER 26 HB2 SER 26 19.545 -0.543 -3.135 181 HB3 SER 26 HB3 SER 26 19.575 0.240 -1.555 182 HG SER 26 HG SER 26 21.347 0.422 -3.648 183 H ILE 27 H ILE 27 20.844 -4.103 -2.073 184 HA ILE 27 HA ILE 27 17.989 -4.621 -1.579 185 HB ILE 27 HB ILE 27 19.581 -6.012 -3.729 186 HG12 ILE 27 HG12 ILE 27 17.813 -4.589 -5.144 187 HG13 ILE 27 HG13 ILE 27 18.001 -3.490 -3.782 188 HG21 ILE 27 HG21 ILE 27 17.805 -7.329 -4.008 189 HG22 ILE 27 HG22 ILE 27 17.229 -6.711 -2.460 190 HG23 ILE 27 HG23 ILE 27 16.690 -5.963 -3.964 191 HD11 ILE 27 HD11 ILE 27 20.590 -4.090 -4.386 192 HD12 ILE 27 HD12 ILE 27 19.822 -4.092 -5.974 193 HD13 ILE 27 HD13 ILE 27 19.711 -2.666 -4.943 194 H VAL 28 H VAL 28 21.279 -5.884 -1.662 195 HA VAL 28 HA VAL 28 20.812 -8.459 -0.707 196 HB VAL 28 HB VAL 28 23.133 -8.454 0.074 197 HG11 VAL 28 HG11 VAL 28 22.982 -6.952 -2.529 198 HG12 VAL 28 HG12 VAL 28 24.177 -8.152 -2.030 199 HG13 VAL 28 HG13 VAL 28 22.517 -8.645 -2.367 200 HG21 VAL 28 HG21 VAL 28 24.104 -5.962 -0.735 201 HG22 VAL 28 HG22 VAL 28 22.673 -5.615 0.235 202 HG23 VAL 28 HG23 VAL 28 23.985 -6.578 0.914 203 H ASP 29 H ASP 29 20.661 -5.419 0.914 204 HA ASP 29 HA ASP 29 20.721 -6.670 3.555 205 HB2 ASP 29 HB2 ASP 29 20.506 -3.757 2.764 206 HB3 ASP 29 HB3 ASP 29 20.641 -4.357 4.415 207 H ILE 30 H ILE 30 18.521 -6.908 1.470 208 HA ILE 30 HA ILE 30 16.307 -6.032 3.209 209 HB ILE 30 HB ILE 30 16.306 -6.258 0.197 210 HG12 ILE 30 HG12 ILE 30 17.437 -4.247 1.047 211 HG13 ILE 30 HG13 ILE 30 15.925 -3.837 0.245 212 HG21 ILE 30 HG21 ILE 30 14.124 -6.656 0.427 213 HG22 ILE 30 HG22 ILE 30 14.153 -6.276 2.148 214 HG23 ILE 30 HG23 ILE 30 13.987 -4.982 0.962 215 HD11 ILE 30 HD11 ILE 30 15.416 -4.250 3.015 216 HD12 ILE 30 HD12 ILE 30 16.772 -3.136 2.832 217 HD13 ILE 30 HD13 ILE 30 15.229 -2.783 2.054 218 H VAL 31 H VAL 31 17.630 -8.550 1.166 219 HA VAL 31 HA VAL 31 15.386 -10.326 1.572 220 HB VAL 31 HB VAL 31 16.686 -10.390 -0.526 221 HG11 VAL 31 HG11 VAL 31 18.892 -9.918 0.482 222 HG12 VAL 31 HG12 VAL 31 18.903 -11.546 1.161 223 HG13 VAL 31 HG13 VAL 31 18.914 -11.319 -0.588 224 HG21 VAL 31 HG21 VAL 31 16.876 -12.822 -0.679 225 HG22 VAL 31 HG22 VAL 31 16.820 -12.942 1.080 226 HG23 VAL 31 HG23 VAL 31 15.416 -12.351 0.191 227 H ALA 32 H ALA 32 18.389 -9.623 3.116 228 HA ALA 32 HA ALA 32 18.061 -11.992 4.842 229 HB1 ALA 32 HB1 ALA 32 20.627 -10.477 4.413 230 HB2 ALA 32 HB2 ALA 32 20.408 -12.035 5.210 231 HB3 ALA 32 HB3 ALA 32 20.163 -11.893 3.470 232 H ASN 33 H ASN 33 18.603 -8.533 4.707 233 HA ASN 33 HA ASN 33 18.612 -8.354 7.626 234 HB2 ASN 33 HB2 ASN 33 19.751 -6.797 5.494 235 HB3 ASN 33 HB3 ASN 33 18.714 -5.770 6.481 236 HD21 ASN 33 HD21 ASN 33 19.696 -4.821 8.098 237 HD22 ASN 33 HD22 ASN 33 21.078 -5.416 8.948 238 H GLY 34 H GLY 34 16.904 -6.850 4.874 239 HA2 GLY 34 HA2 GLY 34 14.885 -5.677 6.497 240 HA3 GLY 34 HA3 GLY 34 14.830 -5.864 4.751 241 H VAL 35 H VAL 35 15.339 -8.860 5.318 242 HA VAL 35 HA VAL 35 12.706 -9.732 4.988 243 HB VAL 35 HB VAL 35 14.736 -11.045 4.378 244 HG11 VAL 35 HG11 VAL 35 15.783 -12.437 6.125 245 HG12 VAL 35 HG12 VAL 35 16.049 -10.712 6.384 246 HG13 VAL 35 HG13 VAL 35 14.848 -11.574 7.346 247 HG21 VAL 35 HG21 VAL 35 13.787 -13.241 5.002 248 HG22 VAL 35 HG22 VAL 35 12.698 -12.425 6.124 249 HG23 VAL 35 HG23 VAL 35 12.570 -12.119 4.392 250 H GLY 36 H GLY 36 14.440 -8.893 7.839 251 HA2 GLY 36 HA2 GLY 36 12.965 -10.458 9.703 252 HA3 GLY 36 HA3 GLY 36 13.938 -9.043 10.079 253 H LEU 37 H LEU 37 12.036 -7.839 7.821 254 HA LEU 37 HA LEU 37 10.182 -6.733 9.765 255 HB2 LEU 37 HB2 LEU 37 11.051 -6.027 7.007 256 HB3 LEU 37 HB3 LEU 37 9.490 -5.438 7.576 257 HG LEU 37 HG LEU 37 12.141 -4.897 8.914 258 HD11 LEU 37 HD11 LEU 37 10.490 -2.843 7.512 259 HD12 LEU 37 HD12 LEU 37 11.600 -3.857 6.591 260 HD13 LEU 37 HD13 LEU 37 12.213 -2.835 7.890 261 HD21 LEU 37 HD21 LEU 37 10.189 -3.037 9.667 262 HD22 LEU 37 HD22 LEU 37 10.910 -4.301 10.663 263 HD23 LEU 37 HD23 LEU 37 9.416 -4.618 9.780 264 H LEU 38 H LEU 38 10.144 -8.737 6.877 265 HA LEU 38 HA LEU 38 7.232 -9.027 7.116 266 HB2 LEU 38 HB2 LEU 38 7.127 -9.368 4.894 267 HB3 LEU 38 HB3 LEU 38 8.666 -8.510 4.915 268 HG LEU 38 HG LEU 38 8.338 -11.509 4.831 269 HD11 LEU 38 HD11 LEU 38 8.276 -9.498 2.765 270 HD12 LEU 38 HD12 LEU 38 7.990 -11.234 2.656 271 HD13 LEU 38 HD13 LEU 38 9.632 -10.603 2.540 272 HD21 LEU 38 HD21 LEU 38 10.864 -11.027 4.055 273 HD22 LEU 38 HD22 LEU 38 10.409 -11.374 5.723 274 HD23 LEU 38 HD23 LEU 38 10.644 -9.705 5.202 275 H GLY 39 H GLY 39 9.953 -10.479 8.217 276 HA2 GLY 39 HA2 GLY 39 9.740 -13.184 7.693 277 HA3 GLY 39 HA3 GLY 39 10.328 -12.517 9.209 278 H LYS 40 H LYS 40 8.000 -11.302 10.143 279 HA LYS 40 HA LYS 40 6.719 -13.429 11.422 280 HB2 LYS 40 HB2 LYS 40 5.093 -11.756 12.198 281 HB3 LYS 40 HB3 LYS 40 6.745 -11.174 12.349 282 HG2 LYS 40 HG2 LYS 40 5.868 -9.321 11.424 283 HG3 LYS 40 HG3 LYS 40 6.154 -10.203 9.921 284 HD2 LYS 40 HD2 LYS 40 3.762 -11.153 10.357 285 HD3 LYS 40 HD3 LYS 40 3.593 -9.733 11.391 286 HE2 LYS 40 HE2 LYS 40 4.605 -9.464 8.586 287 HE3 LYS 40 HE3 LYS 40 2.875 -9.592 8.903 288 HZ1 LYS 40 HZ1 LYS 40 3.419 -7.304 8.839 289 HZ2 LYS 40 HZ2 LYS 40 4.736 -7.501 9.881 290 HZ3 LYS 40 HZ3 LYS 40 3.160 -7.685 10.467 291 H LEU 41 H LEU 41 6.067 -11.868 8.388 292 HA LEU 41 HA LEU 41 3.405 -12.929 8.118 293 HB2 LEU 41 HB2 LEU 41 4.585 -10.828 7.010 294 HB3 LEU 41 HB3 LEU 41 4.966 -12.012 5.762 295 HG LEU 41 HG LEU 41 2.147 -11.567 6.700 296 HD11 LEU 41 HD11 LEU 41 2.479 -9.438 5.976 297 HD12 LEU 41 HD12 LEU 41 2.152 -10.207 4.423 298 HD13 LEU 41 HD13 LEU 41 3.815 -9.884 4.915 299 HD21 LEU 41 HD21 LEU 41 1.544 -12.593 4.654 300 HD22 LEU 41 HD22 LEU 41 2.816 -13.594 5.355 301 HD23 LEU 41 HD23 LEU 41 3.192 -12.489 4.032 302 H PHE 42 H PHE 42 6.394 -13.461 6.240 303 HA PHE 42 HA PHE 42 5.358 -16.004 5.297 304 HB2 PHE 42 HB2 PHE 42 7.953 -14.570 4.696 305 HB3 PHE 42 HB3 PHE 42 7.423 -16.060 3.924 306 HD1 PHE 42 HD1 PHE 42 5.947 -16.023 2.101 307 HD2 PHE 42 HD2 PHE 42 6.602 -12.483 4.370 308 HE1 PHE 42 HE1 PHE 42 4.740 -14.715 0.402 309 HE2 PHE 42 HE2 PHE 42 5.396 -11.169 2.676 310 HZ PHE 42 HZ PHE 42 4.462 -12.285 0.689 311 H GLY 43 H GLY 43 8.610 -15.139 6.467 312 HA2 GLY 43 HA2 GLY 43 9.499 -16.097 8.518 313 HA3 GLY 43 HA3 GLY 43 8.509 -17.517 8.213 314 H PHE 44 H PHE 44 10.729 -15.680 6.124 315 HA PHE 44 HA PHE 44 11.751 -17.891 4.785 316 HB2 PHE 44 HB2 PHE 44 12.934 -15.164 5.303 317 HB3 PHE 44 HB3 PHE 44 13.718 -16.358 4.274 318 HD1 PHE 44 HD1 PHE 44 12.597 -17.113 2.193 319 HD2 PHE 44 HD2 PHE 44 11.100 -13.889 4.534 320 HE1 PHE 44 HE1 PHE 44 11.240 -16.361 0.283 321 HE2 PHE 44 HE2 PHE 44 9.740 -13.132 2.629 322 HZ PHE 44 HZ PHE 44 9.809 -14.368 0.500 Start of MODEL 9 1 H MET 1 H MET 1 0.238 -5.339 -2.204 2 HA MET 1 HA MET 1 2.547 -4.967 -3.556 3 HB2 MET 1 HB2 MET 1 -0.119 -3.692 -4.192 4 HB3 MET 1 HB3 MET 1 1.220 -3.821 -5.325 5 HG2 MET 1 HG2 MET 1 1.109 -6.285 -5.097 6 HG3 MET 1 HG3 MET 1 -0.318 -6.087 -4.083 7 HE1 MET 1 HE1 MET 1 -2.289 -5.195 -4.570 8 HE2 MET 1 HE2 MET 1 -2.749 -4.311 -6.025 9 HE3 MET 1 HE3 MET 1 -3.080 -6.039 -5.901 10 H THR 2 H THR 2 3.801 -3.665 -2.007 11 HA THR 2 HA THR 2 3.509 -0.793 -2.589 12 HB THR 2 HB THR 2 4.543 -0.406 -0.288 13 HG1 THR 2 HG1 THR 2 4.832 -2.911 -0.210 14 HG21 THR 2 HG21 THR 2 2.105 -0.089 -0.955 15 HG22 THR 2 HG22 THR 2 2.432 -0.297 0.766 16 HG23 THR 2 HG23 THR 2 1.802 -1.644 -0.181 17 H GLY 3 H GLY 3 5.179 -2.985 -3.762 18 HA2 GLY 3 HA2 GLY 3 7.325 -3.268 -4.523 19 HA3 GLY 3 HA3 GLY 3 7.525 -1.550 -4.213 20 H LEU 4 H LEU 4 6.690 -3.607 -1.569 21 HA LEU 4 HA LEU 4 9.027 -2.886 -0.124 22 HB2 LEU 4 HB2 LEU 4 6.702 -4.691 0.359 23 HB3 LEU 4 HB3 LEU 4 8.111 -4.802 1.413 24 HG LEU 4 HG LEU 4 6.431 -2.333 0.976 25 HD11 LEU 4 HD11 LEU 4 6.565 -3.471 3.649 26 HD12 LEU 4 HD12 LEU 4 5.814 -4.553 2.477 27 HD13 LEU 4 HD13 LEU 4 5.171 -2.928 2.716 28 HD21 LEU 4 HD21 LEU 4 8.685 -1.691 1.445 29 HD22 LEU 4 HD22 LEU 4 8.809 -2.876 2.747 30 HD23 LEU 4 HD23 LEU 4 7.743 -1.481 2.921 31 H ALA 5 H ALA 5 7.872 -6.136 -1.046 32 HA ALA 5 HA ALA 5 10.694 -6.966 -1.249 33 HB1 ALA 5 HB1 ALA 5 8.385 -8.809 -0.687 34 HB2 ALA 5 HB2 ALA 5 10.110 -9.128 -0.501 35 HB3 ALA 5 HB3 ALA 5 9.300 -8.003 0.588 36 H GLU 6 H GLU 6 7.609 -6.819 -2.813 37 HA GLU 6 HA GLU 6 7.826 -8.746 -4.781 38 HB2 GLU 6 HB2 GLU 6 6.441 -6.129 -4.562 39 HB3 GLU 6 HB3 GLU 6 6.593 -6.813 -6.174 40 HG2 GLU 6 HG2 GLU 6 5.680 -8.972 -4.987 41 HG3 GLU 6 HG3 GLU 6 5.055 -7.797 -3.831 42 H ALA 7 H ALA 7 9.198 -5.490 -4.706 43 HA ALA 7 HA ALA 7 10.159 -5.312 -7.300 44 HB1 ALA 7 HB1 ALA 7 11.359 -3.497 -6.601 45 HB2 ALA 7 HB2 ALA 7 10.211 -3.635 -5.268 46 HB3 ALA 7 HB3 ALA 7 11.850 -4.262 -5.090 47 H ILE 8 H ILE 8 11.927 -6.480 -4.428 48 HA ILE 8 HA ILE 8 14.209 -7.322 -5.865 49 HB ILE 8 HB ILE 8 13.265 -8.399 -3.209 50 HG12 ILE 8 HG12 ILE 8 13.305 -5.975 -3.094 51 HG13 ILE 8 HG13 ILE 8 14.686 -6.621 -2.214 52 HG21 ILE 8 HG21 ILE 8 16.095 -8.075 -4.152 53 HG22 ILE 8 HG22 ILE 8 15.479 -9.060 -2.827 54 HG23 ILE 8 HG23 ILE 8 15.159 -9.529 -4.497 55 HD11 ILE 8 HD11 ILE 8 14.628 -4.775 -4.392 56 HD12 ILE 8 HD12 ILE 8 15.990 -5.288 -3.396 57 HD13 ILE 8 HD13 ILE 8 15.562 -6.201 -4.843 58 H ALA 9 H ALA 9 11.191 -8.891 -5.038 59 HA ALA 9 HA ALA 9 12.016 -11.538 -5.693 60 HB1 ALA 9 HB1 ALA 9 9.198 -11.204 -6.030 61 HB2 ALA 9 HB2 ALA 9 10.074 -12.044 -4.749 62 HB3 ALA 9 HB3 ALA 9 9.726 -10.321 -4.597 63 H ASN 10 H ASN 10 11.485 -8.846 -7.594 64 HA ASN 10 HA ASN 10 10.342 -10.200 -9.873 65 HB2 ASN 10 HB2 ASN 10 10.290 -7.619 -9.109 66 HB3 ASN 10 HB3 ASN 10 11.658 -7.562 -10.216 67 HD21 ASN 10 HD21 ASN 10 10.932 -6.674 -12.016 68 HD22 ASN 10 HD22 ASN 10 9.515 -7.156 -12.878 69 H THR 11 H THR 11 13.398 -9.986 -8.524 70 HA THR 11 HA THR 11 14.676 -10.596 -11.111 71 HB THR 11 HB THR 11 15.582 -8.533 -10.211 72 HG1 THR 11 HG1 THR 11 17.445 -10.637 -9.738 73 HG21 THR 11 HG21 THR 11 16.881 -8.669 -8.030 74 HG22 THR 11 HG22 THR 11 16.012 -10.172 -7.722 75 HG23 THR 11 HG23 THR 11 15.124 -8.658 -7.895 76 H VAL 12 H VAL 12 14.148 -11.570 -7.824 77 HA VAL 12 HA VAL 12 16.168 -13.462 -7.486 78 HB VAL 12 HB VAL 12 14.797 -14.478 -5.788 79 HG11 VAL 12 HG11 VAL 12 15.197 -11.630 -5.983 80 HG12 VAL 12 HG12 VAL 12 13.790 -12.005 -4.986 81 HG13 VAL 12 HG13 VAL 12 15.364 -12.695 -4.587 82 HG21 VAL 12 HG21 VAL 12 12.402 -13.491 -5.541 83 HG22 VAL 12 HG22 VAL 12 12.564 -13.144 -7.262 84 HG23 VAL 12 HG23 VAL 12 12.690 -14.805 -6.682 85 H GLN 13 H GLN 13 13.376 -13.526 -9.497 86 HA GLN 13 HA GLN 13 12.795 -16.206 -9.742 87 HB2 GLN 13 HB2 GLN 13 12.845 -14.062 -11.868 88 HB3 GLN 13 HB3 GLN 13 12.153 -15.661 -12.112 89 HG2 GLN 13 HG2 GLN 13 10.936 -14.816 -9.803 90 HG3 GLN 13 HG3 GLN 13 11.062 -13.335 -10.750 91 HE21 GLN 13 HE21 GLN 13 8.892 -15.429 -9.987 92 HE22 GLN 13 HE22 GLN 13 8.038 -15.644 -11.474 93 H ALA 14 H ALA 14 15.524 -14.427 -11.019 94 HA ALA 14 HA ALA 14 16.660 -16.973 -11.965 95 HB1 ALA 14 HB1 ALA 14 16.908 -16.216 -14.037 96 HB2 ALA 14 HB2 ALA 14 15.954 -14.802 -13.587 97 HB3 ALA 14 HB3 ALA 14 17.712 -14.756 -13.459 98 H ALA 15 H ALA 15 16.937 -15.295 -9.475 99 HA ALA 15 HA ALA 15 19.870 -15.172 -9.511 100 HB1 ALA 15 HB1 ALA 15 18.229 -12.914 -9.399 101 HB2 ALA 15 HB2 ALA 15 18.805 -13.160 -7.750 102 HB3 ALA 15 HB3 ALA 15 19.961 -12.996 -9.073 103 H GLN 16 H GLN 16 16.929 -15.238 -7.532 104 HA GLN 16 HA GLN 16 16.454 -16.205 -5.530 105 HB2 GLN 16 HB2 GLN 16 18.880 -17.934 -6.013 106 HB3 GLN 16 HB3 GLN 16 17.476 -18.312 -5.024 107 HG2 GLN 16 HG2 GLN 16 16.132 -18.133 -7.191 108 HG3 GLN 16 HG3 GLN 16 17.691 -18.214 -8.008 109 HE21 GLN 16 HE21 GLN 16 18.332 -20.158 -8.573 110 HE22 GLN 16 HE22 GLN 16 17.848 -21.646 -7.842 111 H GLN 17 H GLN 17 18.091 -13.876 -5.524 112 HA GLN 17 HA GLN 17 19.266 -12.593 -4.059 113 HB2 GLN 17 HB2 GLN 17 19.106 -14.845 -2.070 114 HB3 GLN 17 HB3 GLN 17 19.202 -13.118 -1.756 115 HG2 GLN 17 HG2 GLN 17 16.956 -12.802 -2.574 116 HG3 GLN 17 HG3 GLN 17 16.853 -14.503 -3.027 117 HE21 GLN 17 HE21 GLN 17 17.858 -15.793 -0.899 118 HE22 GLN 17 HE22 GLN 17 16.900 -15.497 0.508 119 H HIS 18 H HIS 18 20.697 -14.155 -5.894 120 HA HIS 18 HA HIS 18 23.069 -14.990 -4.368 121 HB2 HIS 18 HB2 HIS 18 22.288 -16.757 -5.784 122 HB3 HIS 18 HB3 HIS 18 22.150 -15.671 -7.163 123 HD1 HIS 18 HD1 HIS 18 24.253 -15.224 -8.526 124 HD2 HIS 18 HD2 HIS 18 24.940 -17.552 -5.154 125 HE1 HIS 18 HE1 HIS 18 26.594 -16.107 -8.784 126 H ASP 19 H ASP 19 22.345 -13.471 -7.516 127 HA ASP 19 HA ASP 19 24.816 -12.336 -7.983 128 HB2 ASP 19 HB2 ASP 19 22.697 -12.406 -9.474 129 HB3 ASP 19 HB3 ASP 19 22.286 -10.878 -8.700 130 H SER 20 H SER 20 22.185 -11.155 -5.973 131 HA SER 20 HA SER 20 22.988 -8.544 -5.537 132 HB2 SER 20 HB2 SER 20 21.735 -8.646 -3.448 133 HB3 SER 20 HB3 SER 20 20.865 -9.524 -4.706 134 HG SER 20 HG SER 20 22.509 -10.660 -2.689 135 H VAL 21 H VAL 21 24.106 -11.508 -3.974 136 HA VAL 21 HA VAL 21 25.663 -10.395 -1.952 137 HB VAL 21 HB VAL 21 26.232 -12.919 -3.513 138 HG11 VAL 21 HG11 VAL 21 27.325 -13.583 -1.319 139 HG12 VAL 21 HG12 VAL 21 28.183 -12.392 -2.299 140 HG13 VAL 21 HG13 VAL 21 27.260 -11.874 -0.888 141 HG21 VAL 21 HG21 VAL 21 24.206 -13.461 -2.662 142 HG22 VAL 21 HG22 VAL 21 25.154 -13.770 -1.207 143 HG23 VAL 21 HG23 VAL 21 24.292 -12.243 -1.390 144 H LYS 22 H LYS 22 26.207 -10.550 -5.362 145 HA LYS 22 HA LYS 22 29.007 -9.738 -5.034 146 HB2 LYS 22 HB2 LYS 22 28.282 -11.623 -6.622 147 HB3 LYS 22 HB3 LYS 22 27.639 -10.346 -7.647 148 HG2 LYS 22 HG2 LYS 22 29.722 -9.535 -8.181 149 HG3 LYS 22 HG3 LYS 22 30.469 -10.192 -6.722 150 HD2 LYS 22 HD2 LYS 22 29.374 -11.968 -8.885 151 HD3 LYS 22 HD3 LYS 22 31.018 -11.329 -8.947 152 HE2 LYS 22 HE2 LYS 22 30.033 -12.733 -6.495 153 HE3 LYS 22 HE3 LYS 22 30.582 -13.663 -7.889 154 HZ1 LYS 22 HZ1 LYS 22 32.116 -12.270 -5.932 155 HZ2 LYS 22 HZ2 LYS 22 32.525 -11.774 -7.496 156 HZ3 LYS 22 HZ3 LYS 22 32.618 -13.410 -7.077 157 H LEU 23 H LEU 23 25.888 -8.593 -6.025 158 HA LEU 23 HA LEU 23 26.712 -5.883 -5.960 159 HB2 LEU 23 HB2 LEU 23 27.476 -6.903 -8.264 160 HB3 LEU 23 HB3 LEU 23 25.784 -6.648 -8.686 161 HG LEU 23 HG LEU 23 27.153 -4.801 -9.461 162 HD11 LEU 23 HD11 LEU 23 25.878 -2.992 -8.553 163 HD12 LEU 23 HD12 LEU 23 25.500 -3.920 -7.102 164 HD13 LEU 23 HD13 LEU 23 24.830 -4.407 -8.659 165 HD21 LEU 23 HD21 LEU 23 27.777 -4.065 -6.626 166 HD22 LEU 23 HD22 LEU 23 28.538 -3.510 -8.117 167 HD23 LEU 23 HD23 LEU 23 28.835 -5.148 -7.531 168 H GLY 24 H GLY 24 24.996 -5.156 -4.876 169 HA2 GLY 24 HA2 GLY 24 22.578 -4.525 -5.860 170 HA3 GLY 24 HA3 GLY 24 22.344 -6.206 -5.406 171 H THR 25 H THR 25 23.644 -3.181 -4.044 172 HA THR 25 HA THR 25 23.394 -3.900 -1.353 173 HB THR 25 HB THR 25 24.696 -1.947 -2.123 174 HG1 THR 25 HG1 THR 25 23.482 -2.186 0.073 175 HG21 THR 25 HG21 THR 25 22.631 -1.257 -3.648 176 HG22 THR 25 HG22 THR 25 23.790 -0.067 -3.055 177 HG23 THR 25 HG23 THR 25 22.242 -0.274 -2.238 178 H SER 26 H SER 26 21.010 -3.015 -3.658 179 HA SER 26 HA SER 26 19.044 -2.207 -1.692 180 HB2 SER 26 HB2 SER 26 18.686 -2.747 -4.650 181 HB3 SER 26 HB3 SER 26 17.544 -1.921 -3.590 182 HG SER 26 HG SER 26 20.159 -1.044 -4.266 183 H ILE 27 H ILE 27 20.155 -5.109 -3.068 184 HA ILE 27 HA ILE 27 17.659 -6.520 -2.443 185 HB ILE 27 HB ILE 27 20.110 -7.509 -3.905 186 HG12 ILE 27 HG12 ILE 27 18.095 -7.597 -5.707 187 HG13 ILE 27 HG13 ILE 27 17.594 -6.202 -4.758 188 HG21 ILE 27 HG21 ILE 27 18.154 -9.249 -4.541 189 HG22 ILE 27 HG22 ILE 27 19.298 -9.497 -3.224 190 HG23 ILE 27 HG23 ILE 27 17.694 -8.848 -2.887 191 HD11 ILE 27 HD11 ILE 27 19.767 -6.486 -6.676 192 HD12 ILE 27 HD12 ILE 27 18.910 -5.044 -6.129 193 HD13 ILE 27 HD13 ILE 27 20.242 -5.695 -5.174 194 H VAL 28 H VAL 28 21.146 -6.624 -1.789 195 HA VAL 28 HA VAL 28 21.110 -8.796 -0.010 196 HB VAL 28 HB VAL 28 23.286 -8.061 0.742 197 HG11 VAL 28 HG11 VAL 28 23.387 -7.257 -2.114 198 HG12 VAL 28 HG12 VAL 28 24.384 -8.410 -1.225 199 HG13 VAL 28 HG13 VAL 28 22.754 -8.857 -1.730 200 HG21 VAL 28 HG21 VAL 28 23.921 -5.761 -0.611 201 HG22 VAL 28 HG22 VAL 28 22.272 -5.447 -0.069 202 HG23 VAL 28 HG23 VAL 28 23.521 -5.864 1.104 203 H ASP 29 H ASP 29 20.135 -5.517 0.374 204 HA ASP 29 HA ASP 29 20.191 -5.673 3.287 205 HB2 ASP 29 HB2 ASP 29 19.869 -3.370 3.323 206 HB3 ASP 29 HB3 ASP 29 20.803 -3.590 1.846 207 H ILE 30 H ILE 30 18.319 -7.127 1.286 208 HA ILE 30 HA ILE 30 15.816 -6.414 2.671 209 HB ILE 30 HB ILE 30 16.132 -7.452 -0.147 210 HG12 ILE 30 HG12 ILE 30 16.649 -5.056 0.120 211 HG13 ILE 30 HG13 ILE 30 15.176 -5.302 -0.811 212 HG21 ILE 30 HG21 ILE 30 14.078 -8.272 0.065 213 HG22 ILE 30 HG22 ILE 30 13.927 -7.607 1.691 214 HG23 ILE 30 HG23 ILE 30 13.499 -6.622 0.293 215 HD11 ILE 30 HD11 ILE 30 14.541 -5.050 1.968 216 HD12 ILE 30 HD12 ILE 30 15.531 -3.689 1.441 217 HD13 ILE 30 HD13 ILE 30 14.024 -4.059 0.604 218 H VAL 31 H VAL 31 17.790 -8.998 1.309 219 HA VAL 31 HA VAL 31 16.064 -11.106 2.197 220 HB VAL 31 HB VAL 31 17.481 -11.515 0.292 221 HG11 VAL 31 HG11 VAL 31 19.333 -10.116 0.578 222 HG12 VAL 31 HG12 VAL 31 19.704 -10.781 2.170 223 HG13 VAL 31 HG13 VAL 31 19.996 -11.743 0.720 224 HG21 VAL 31 HG21 VAL 31 18.476 -13.620 0.932 225 HG22 VAL 31 HG22 VAL 31 18.487 -13.138 2.628 226 HG23 VAL 31 HG23 VAL 31 16.954 -13.406 1.797 227 H ALA 32 H ALA 32 18.598 -9.244 3.609 228 HA ALA 32 HA ALA 32 18.624 -11.049 5.941 229 HB1 ALA 32 HB1 ALA 32 20.838 -9.138 5.253 230 HB2 ALA 32 HB2 ALA 32 20.869 -10.497 6.377 231 HB3 ALA 32 HB3 ALA 32 20.791 -10.792 4.640 232 H ASN 33 H ASN 33 18.690 -7.681 4.860 233 HA ASN 33 HA ASN 33 18.270 -6.707 7.562 234 HB2 ASN 33 HB2 ASN 33 19.193 -5.594 5.061 235 HB3 ASN 33 HB3 ASN 33 17.915 -4.592 5.742 236 HD21 ASN 33 HD21 ASN 33 18.847 -2.933 6.697 237 HD22 ASN 33 HD22 ASN 33 20.182 -3.012 7.791 238 H GLY 34 H GLY 34 16.511 -6.694 4.466 239 HA2 GLY 34 HA2 GLY 34 14.160 -5.506 5.555 240 HA3 GLY 34 HA3 GLY 34 14.292 -6.304 3.995 241 H VAL 35 H VAL 35 15.369 -8.731 5.505 242 HA VAL 35 HA VAL 35 12.969 -10.181 5.606 243 HB VAL 35 HB VAL 35 15.260 -11.157 5.291 244 HG11 VAL 35 HG11 VAL 35 15.754 -11.642 8.089 245 HG12 VAL 35 HG12 VAL 35 16.836 -10.998 6.852 246 HG13 VAL 35 HG13 VAL 35 15.762 -9.914 7.737 247 HG21 VAL 35 HG21 VAL 35 14.759 -13.233 6.518 248 HG22 VAL 35 HG22 VAL 35 13.520 -12.375 7.434 249 HG23 VAL 35 HG23 VAL 35 13.341 -12.585 5.692 250 H GLY 36 H GLY 36 14.420 -8.101 7.898 251 HA2 GLY 36 HA2 GLY 36 13.342 -9.298 10.263 252 HA3 GLY 36 HA3 GLY 36 14.005 -7.676 10.126 253 H LEU 37 H LEU 37 11.847 -7.728 7.736 254 HA LEU 37 HA LEU 37 9.817 -6.433 9.380 255 HB2 LEU 37 HB2 LEU 37 10.479 -6.455 6.468 256 HB3 LEU 37 HB3 LEU 37 8.869 -5.968 6.992 257 HG LEU 37 HG LEU 37 10.248 -4.338 8.548 258 HD11 LEU 37 HD11 LEU 37 12.319 -5.520 7.162 259 HD12 LEU 37 HD12 LEU 37 12.395 -4.005 8.061 260 HD13 LEU 37 HD13 LEU 37 12.083 -3.985 6.325 261 HD21 LEU 37 HD21 LEU 37 10.144 -3.549 5.676 262 HD22 LEU 37 HD22 LEU 37 9.658 -2.648 7.112 263 HD23 LEU 37 HD23 LEU 37 8.644 -3.960 6.508 264 H LEU 38 H LEU 38 10.277 -9.254 7.381 265 HA LEU 38 HA LEU 38 7.464 -10.011 7.801 266 HB2 LEU 38 HB2 LEU 38 7.453 -11.047 5.803 267 HB3 LEU 38 HB3 LEU 38 8.767 -9.921 5.468 268 HG LEU 38 HG LEU 38 9.109 -12.794 6.329 269 HD11 LEU 38 HD11 LEU 38 8.602 -11.602 3.755 270 HD12 LEU 38 HD12 LEU 38 8.722 -13.303 4.204 271 HD13 LEU 38 HD13 LEU 38 10.176 -12.397 3.787 272 HD21 LEU 38 HD21 LEU 38 11.099 -11.963 6.988 273 HD22 LEU 38 HD22 LEU 38 10.952 -10.518 5.987 274 HD23 LEU 38 HD23 LEU 38 11.466 -12.043 5.265 275 H GLY 39 H GLY 39 10.527 -10.540 8.986 276 HA2 GLY 39 HA2 GLY 39 10.548 -13.333 9.412 277 HA3 GLY 39 HA3 GLY 39 11.461 -12.147 10.334 278 H LYS 40 H LYS 40 8.964 -10.725 11.095 279 HA LYS 40 HA LYS 40 8.351 -12.370 13.404 280 HB2 LYS 40 HB2 LYS 40 7.193 -10.394 14.252 281 HB3 LYS 40 HB3 LYS 40 8.812 -9.979 13.704 282 HG2 LYS 40 HG2 LYS 40 7.780 -9.213 11.549 283 HG3 LYS 40 HG3 LYS 40 6.204 -9.425 12.315 284 HD2 LYS 40 HD2 LYS 40 6.811 -7.823 14.044 285 HD3 LYS 40 HD3 LYS 40 8.416 -7.641 13.333 286 HE2 LYS 40 HE2 LYS 40 7.070 -7.015 11.183 287 HE3 LYS 40 HE3 LYS 40 5.770 -6.685 12.328 288 HZ1 LYS 40 HZ1 LYS 40 6.952 -4.981 13.310 289 HZ2 LYS 40 HZ2 LYS 40 7.366 -4.797 11.680 290 HZ3 LYS 40 HZ3 LYS 40 8.450 -5.534 12.750 291 H LEU 41 H LEU 41 6.873 -11.396 10.421 292 HA LEU 41 HA LEU 41 4.195 -12.097 11.195 293 HB2 LEU 41 HB2 LEU 41 5.101 -10.488 9.307 294 HB3 LEU 41 HB3 LEU 41 5.034 -11.961 8.343 295 HG LEU 41 HG LEU 41 2.633 -11.009 9.867 296 HD11 LEU 41 HD11 LEU 41 3.463 -9.140 8.472 297 HD12 LEU 41 HD12 LEU 41 1.898 -9.761 7.949 298 HD13 LEU 41 HD13 LEU 41 3.358 -10.190 7.059 299 HD21 LEU 41 HD21 LEU 41 1.424 -12.356 8.369 300 HD22 LEU 41 HD22 LEU 41 2.833 -13.318 8.817 301 HD23 LEU 41 HD23 LEU 41 2.787 -12.492 7.258 302 H PHE 42 H PHE 42 6.650 -13.550 9.065 303 HA PHE 42 HA PHE 42 5.085 -15.973 8.798 304 HB2 PHE 42 HB2 PHE 42 7.763 -15.109 7.709 305 HB3 PHE 42 HB3 PHE 42 7.121 -16.731 7.466 306 HD1 PHE 42 HD1 PHE 42 5.906 -17.149 5.563 307 HD2 PHE 42 HD2 PHE 42 6.108 -13.166 7.050 308 HE1 PHE 42 HE1 PHE 42 4.648 -16.357 3.603 309 HE2 PHE 42 HE2 PHE 42 4.849 -12.368 5.093 310 HZ PHE 42 HZ PHE 42 4.117 -13.964 3.366 311 H GLY 43 H GLY 43 8.430 -15.301 9.861 312 HA2 GLY 43 HA2 GLY 43 9.182 -16.055 12.044 313 HA3 GLY 43 HA3 GLY 43 8.094 -17.425 11.882 314 H PHE 44 H PHE 44 11.078 -15.988 10.677 315 HA PHE 44 HA PHE 44 11.842 -18.579 9.529 316 HB2 PHE 44 HB2 PHE 44 12.835 -15.770 9.094 317 HB3 PHE 44 HB3 PHE 44 13.773 -17.166 8.573 318 HD1 PHE 44 HD1 PHE 44 12.819 -18.722 6.881 319 HD2 PHE 44 HD2 PHE 44 10.969 -15.018 7.867 320 HE1 PHE 44 HE1 PHE 44 11.515 -18.823 4.797 321 HE2 PHE 44 HE2 PHE 44 9.661 -15.113 5.785 322 HZ PHE 44 HZ PHE 44 9.933 -17.018 4.247 Start of MODEL 10 1 H MET 1 H MET 1 -0.360 0.594 -4.249 2 HA MET 1 HA MET 1 -0.094 -1.677 -6.056 3 HB2 MET 1 HB2 MET 1 1.674 0.767 -6.148 4 HB3 MET 1 HB3 MET 1 2.144 -0.784 -6.833 5 HG2 MET 1 HG2 MET 1 1.303 0.258 -8.678 6 HG3 MET 1 HG3 MET 1 -0.133 -0.580 -8.095 7 HE1 MET 1 HE1 MET 1 -0.133 3.494 -9.414 8 HE2 MET 1 HE2 MET 1 1.439 3.109 -8.713 9 HE3 MET 1 HE3 MET 1 0.722 2.034 -9.914 10 H THR 2 H THR 2 2.289 -2.569 -5.755 11 HA THR 2 HA THR 2 3.256 -2.247 -3.033 12 HB THR 2 HB THR 2 1.514 -3.971 -2.802 13 HG1 THR 2 HG1 THR 2 4.097 -5.157 -2.632 14 HG21 THR 2 HG21 THR 2 3.034 -6.003 -4.290 15 HG22 THR 2 HG22 THR 2 2.229 -4.794 -5.290 16 HG23 THR 2 HG23 THR 2 1.293 -5.763 -4.153 17 H GLY 3 H GLY 3 5.395 -2.794 -2.781 18 HA2 GLY 3 HA2 GLY 3 6.821 -4.412 -4.655 19 HA3 GLY 3 HA3 GLY 3 7.108 -2.701 -4.935 20 H LEU 4 H LEU 4 6.513 -3.948 -1.735 21 HA LEU 4 HA LEU 4 8.902 -2.826 -0.712 22 HB2 LEU 4 HB2 LEU 4 6.963 -4.799 0.480 23 HB3 LEU 4 HB3 LEU 4 8.290 -4.056 1.371 24 HG LEU 4 HG LEU 4 7.096 -1.830 0.560 25 HD11 LEU 4 HD11 LEU 4 5.290 -2.498 -0.669 26 HD12 LEU 4 HD12 LEU 4 4.557 -2.413 0.932 27 HD13 LEU 4 HD13 LEU 4 5.051 -3.971 0.270 28 HD21 LEU 4 HD21 LEU 4 6.822 -3.561 2.917 29 HD22 LEU 4 HD22 LEU 4 5.550 -2.354 2.726 30 HD23 LEU 4 HD23 LEU 4 7.240 -1.851 2.802 31 H ALA 5 H ALA 5 7.904 -6.253 -0.804 32 HA ALA 5 HA ALA 5 10.757 -6.977 -0.938 33 HB1 ALA 5 HB1 ALA 5 8.478 -8.702 0.018 34 HB2 ALA 5 HB2 ALA 5 10.202 -9.066 0.109 35 HB3 ALA 5 HB3 ALA 5 9.525 -7.753 1.073 36 H GLU 6 H GLU 6 7.672 -7.244 -2.485 37 HA GLU 6 HA GLU 6 7.968 -9.476 -4.082 38 HB2 GLU 6 HB2 GLU 6 6.508 -6.898 -4.361 39 HB3 GLU 6 HB3 GLU 6 6.662 -7.902 -5.796 40 HG2 GLU 6 HG2 GLU 6 5.764 -9.799 -4.328 41 HG3 GLU 6 HG3 GLU 6 5.279 -8.521 -3.215 42 H ALA 7 H ALA 7 9.131 -6.179 -4.680 43 HA ALA 7 HA ALA 7 10.152 -6.528 -7.239 44 HB1 ALA 7 HB1 ALA 7 10.329 -4.343 -6.767 45 HB2 ALA 7 HB2 ALA 7 10.562 -4.632 -5.043 46 HB3 ALA 7 HB3 ALA 7 11.925 -4.774 -6.152 47 H ILE 8 H ILE 8 11.950 -6.761 -4.163 48 HA ILE 8 HA ILE 8 14.349 -7.677 -5.282 49 HB ILE 8 HB ILE 8 13.327 -8.326 -2.517 50 HG12 ILE 8 HG12 ILE 8 13.148 -5.934 -2.867 51 HG13 ILE 8 HG13 ILE 8 14.526 -6.260 -1.821 52 HG21 ILE 8 HG21 ILE 8 16.183 -7.867 -3.270 53 HG22 ILE 8 HG22 ILE 8 15.514 -8.775 -1.915 54 HG23 ILE 8 HG23 ILE 8 15.434 -9.439 -3.546 55 HD11 ILE 8 HD11 ILE 8 14.420 -4.990 -4.426 56 HD12 ILE 8 HD12 ILE 8 15.669 -4.931 -3.182 57 HD13 ILE 8 HD13 ILE 8 15.635 -6.265 -4.334 58 H ALA 9 H ALA 9 11.474 -9.396 -4.214 59 HA ALA 9 HA ALA 9 12.667 -11.999 -4.526 60 HB1 ALA 9 HB1 ALA 9 9.806 -12.096 -4.504 61 HB2 ALA 9 HB2 ALA 9 10.949 -12.635 -3.274 62 HB3 ALA 9 HB3 ALA 9 10.373 -10.969 -3.271 63 H ASN 10 H ASN 10 11.758 -9.746 -6.713 64 HA ASN 10 HA ASN 10 10.420 -11.484 -8.600 65 HB2 ASN 10 HB2 ASN 10 10.110 -8.911 -8.283 66 HB3 ASN 10 HB3 ASN 10 11.540 -8.791 -9.304 67 HD21 ASN 10 HD21 ASN 10 8.688 -8.050 -9.718 68 HD22 ASN 10 HD22 ASN 10 8.239 -8.821 -11.198 69 H THR 11 H THR 11 13.609 -10.806 -7.720 70 HA THR 11 HA THR 11 14.613 -11.795 -10.309 71 HB THR 11 HB THR 11 15.398 -9.509 -9.669 72 HG1 THR 11 HG1 THR 11 17.189 -11.676 -9.991 73 HG21 THR 11 HG21 THR 11 17.331 -10.535 -7.722 74 HG22 THR 11 HG22 THR 11 15.662 -10.553 -7.152 75 HG23 THR 11 HG23 THR 11 16.389 -9.045 -7.706 76 H VAL 12 H VAL 12 14.501 -12.291 -6.885 77 HA VAL 12 HA VAL 12 16.683 -13.971 -6.482 78 HB VAL 12 HB VAL 12 15.515 -14.856 -4.554 79 HG11 VAL 12 HG11 VAL 12 15.658 -12.009 -5.148 80 HG12 VAL 12 HG12 VAL 12 14.489 -12.393 -3.884 81 HG13 VAL 12 HG13 VAL 12 16.171 -12.894 -3.711 82 HG21 VAL 12 HG21 VAL 12 13.103 -13.923 -4.219 83 HG22 VAL 12 HG22 VAL 12 13.105 -13.812 -5.979 84 HG23 VAL 12 HG23 VAL 12 13.357 -15.371 -5.194 85 H GLN 13 H GLN 13 13.722 -14.539 -8.162 86 HA GLN 13 HA GLN 13 13.400 -17.271 -7.990 87 HB2 GLN 13 HB2 GLN 13 13.004 -15.475 -10.387 88 HB3 GLN 13 HB3 GLN 13 12.414 -17.128 -10.279 89 HG2 GLN 13 HG2 GLN 13 11.407 -16.031 -7.999 90 HG3 GLN 13 HG3 GLN 13 11.350 -14.668 -9.117 91 HE21 GLN 13 HE21 GLN 13 9.305 -16.551 -7.878 92 HE22 GLN 13 HE22 GLN 13 8.338 -17.047 -9.220 93 H ALA 14 H ALA 14 15.529 -15.454 -10.169 94 HA ALA 14 HA ALA 14 16.803 -17.989 -10.949 95 HB1 ALA 14 HB1 ALA 14 16.941 -17.209 -13.027 96 HB2 ALA 14 HB2 ALA 14 15.902 -15.880 -12.512 97 HB3 ALA 14 HB3 ALA 14 17.655 -15.691 -12.482 98 H ALA 15 H ALA 15 17.365 -14.831 -9.551 99 HA ALA 15 HA ALA 15 20.210 -14.979 -9.552 100 HB1 ALA 15 HB1 ALA 15 18.479 -12.965 -9.173 101 HB2 ALA 15 HB2 ALA 15 18.880 -13.332 -7.495 102 HB3 ALA 15 HB3 ALA 15 20.158 -12.914 -8.635 103 H GLN 16 H GLN 16 17.753 -15.505 -7.029 104 HA GLN 16 HA GLN 16 17.791 -16.702 -5.096 105 HB2 GLN 16 HB2 GLN 16 20.237 -18.066 -6.223 106 HB3 GLN 16 HB3 GLN 16 19.154 -18.682 -4.982 107 HG2 GLN 16 HG2 GLN 16 17.340 -18.764 -6.646 108 HG3 GLN 16 HG3 GLN 16 18.480 -18.229 -7.880 109 HE21 GLN 16 HE21 GLN 16 17.543 -20.349 -8.731 110 HE22 GLN 16 HE22 GLN 16 18.454 -21.773 -8.377 111 H GLN 17 H GLN 17 19.085 -14.190 -5.147 112 HA GLN 17 HA GLN 17 20.382 -12.870 -3.824 113 HB2 GLN 17 HB2 GLN 17 20.899 -15.276 -2.088 114 HB3 GLN 17 HB3 GLN 17 20.873 -13.581 -1.619 115 HG2 GLN 17 HG2 GLN 17 18.459 -13.514 -2.041 116 HG3 GLN 17 HG3 GLN 17 18.498 -15.225 -2.465 117 HE21 GLN 17 HE21 GLN 17 16.917 -15.433 -0.752 118 HE22 GLN 17 HE22 GLN 17 17.454 -15.570 0.884 119 H HIS 18 H HIS 18 21.578 -14.096 -6.053 120 HA HIS 18 HA HIS 18 24.303 -14.678 -5.109 121 HB2 HIS 18 HB2 HIS 18 23.464 -16.456 -6.483 122 HB3 HIS 18 HB3 HIS 18 22.916 -15.323 -7.715 123 HD1 HIS 18 HD1 HIS 18 24.495 -14.893 -9.586 124 HD2 HIS 18 HD2 HIS 18 26.398 -16.542 -6.281 125 HE1 HIS 18 HE1 HIS 18 26.857 -15.339 -10.324 126 H ASP 19 H ASP 19 22.783 -13.141 -7.950 127 HA ASP 19 HA ASP 19 24.973 -11.598 -8.698 128 HB2 ASP 19 HB2 ASP 19 22.691 -12.045 -9.897 129 HB3 ASP 19 HB3 ASP 19 22.182 -10.571 -9.078 130 H SER 20 H SER 20 22.333 -10.858 -6.468 131 HA SER 20 HA SER 20 22.799 -8.173 -6.016 132 HB2 SER 20 HB2 SER 20 21.824 -8.585 -3.735 133 HB3 SER 20 HB3 SER 20 20.864 -9.239 -5.061 134 HG SER 20 HG SER 20 21.841 -11.282 -4.622 135 H VAL 21 H VAL 21 24.278 -10.958 -4.378 136 HA VAL 21 HA VAL 21 25.834 -9.616 -2.523 137 HB VAL 21 HB VAL 21 26.674 -12.102 -4.017 138 HG11 VAL 21 HG11 VAL 21 27.614 -10.714 -1.570 139 HG12 VAL 21 HG12 VAL 21 27.595 -12.479 -1.555 140 HG13 VAL 21 HG13 VAL 21 28.523 -11.616 -2.782 141 HG21 VAL 21 HG21 VAL 21 24.492 -12.537 -3.211 142 HG22 VAL 21 HG22 VAL 21 25.598 -13.277 -2.054 143 HG23 VAL 21 HG23 VAL 21 24.823 -11.740 -1.672 144 H LYS 22 H LYS 22 26.275 -9.948 -5.954 145 HA LYS 22 HA LYS 22 28.998 -8.910 -5.840 146 HB2 LYS 22 HB2 LYS 22 28.152 -10.764 -7.435 147 HB3 LYS 22 HB3 LYS 22 27.445 -9.445 -8.358 148 HG2 LYS 22 HG2 LYS 22 29.476 -9.766 -9.403 149 HG3 LYS 22 HG3 LYS 22 29.822 -8.436 -8.295 150 HD2 LYS 22 HD2 LYS 22 31.624 -9.830 -7.926 151 HD3 LYS 22 HD3 LYS 22 30.509 -10.352 -6.661 152 HE2 LYS 22 HE2 LYS 22 31.314 -12.335 -7.634 153 HE3 LYS 22 HE3 LYS 22 29.702 -12.108 -8.312 154 HZ1 LYS 22 HZ1 LYS 22 32.282 -12.047 -9.621 155 HZ2 LYS 22 HZ2 LYS 22 31.219 -10.822 -10.101 156 HZ3 LYS 22 HZ3 LYS 22 30.759 -12.444 -10.244 157 H LEU 23 H LEU 23 25.763 -7.847 -6.441 158 HA LEU 23 HA LEU 23 26.522 -5.112 -6.401 159 HB2 LEU 23 HB2 LEU 23 27.009 -6.014 -8.803 160 HB3 LEU 23 HB3 LEU 23 25.261 -5.889 -8.995 161 HG LEU 23 HG LEU 23 26.428 -3.938 -9.900 162 HD11 LEU 23 HD11 LEU 23 25.089 -2.240 -8.832 163 HD12 LEU 23 HD12 LEU 23 24.858 -3.265 -7.416 164 HD13 LEU 23 HD13 LEU 23 24.154 -3.729 -8.965 165 HD21 LEU 23 HD21 LEU 23 27.201 -3.162 -7.112 166 HD22 LEU 23 HD22 LEU 23 27.783 -2.524 -8.650 167 HD23 LEU 23 HD23 LEU 23 28.281 -4.130 -8.116 168 H GLY 24 H GLY 24 24.961 -4.477 -5.054 169 HA2 GLY 24 HA2 GLY 24 22.447 -3.820 -5.601 170 HA3 GLY 24 HA3 GLY 24 22.262 -5.546 -5.330 171 H THR 25 H THR 25 23.365 -2.542 -3.827 172 HA THR 25 HA THR 25 23.658 -3.574 -1.216 173 HB THR 25 HB THR 25 24.672 -1.452 -1.831 174 HG1 THR 25 HG1 THR 25 23.561 -1.938 0.394 175 HG21 THR 25 HG21 THR 25 21.967 -0.152 -1.810 176 HG22 THR 25 HG22 THR 25 22.650 -0.807 -3.299 177 HG23 THR 25 HG23 THR 25 23.495 0.474 -2.430 178 H SER 26 H SER 26 20.920 -2.189 -2.944 179 HA SER 26 HA SER 26 19.225 -2.237 -0.599 180 HB2 SER 26 HB2 SER 26 18.571 -1.658 -3.499 181 HB3 SER 26 HB3 SER 26 17.464 -1.442 -2.143 182 HG SER 26 HG SER 26 18.801 0.155 -1.336 183 H ILE 27 H ILE 27 20.393 -4.606 -2.460 184 HA ILE 27 HA ILE 27 17.892 -6.147 -2.542 185 HB ILE 27 HB ILE 27 20.429 -7.153 -3.754 186 HG12 ILE 27 HG12 ILE 27 20.313 -4.866 -4.569 187 HG13 ILE 27 HG13 ILE 27 19.865 -5.973 -5.862 188 HG21 ILE 27 HG21 ILE 27 18.936 -8.252 -5.281 189 HG22 ILE 27 HG22 ILE 27 18.369 -8.533 -3.635 190 HG23 ILE 27 HG23 ILE 27 17.560 -7.344 -4.656 191 HD11 ILE 27 HD11 ILE 27 17.552 -5.447 -5.595 192 HD12 ILE 27 HD12 ILE 27 17.887 -4.497 -4.147 193 HD13 ILE 27 HD13 ILE 27 18.457 -3.939 -5.719 194 H VAL 28 H VAL 28 21.328 -6.529 -1.677 195 HA VAL 28 HA VAL 28 21.016 -8.996 -0.348 196 HB VAL 28 HB VAL 28 23.218 -8.632 0.576 197 HG11 VAL 28 HG11 VAL 28 23.475 -7.353 -2.099 198 HG12 VAL 28 HG12 VAL 28 24.378 -8.697 -1.398 199 HG13 VAL 28 HG13 VAL 28 22.737 -8.951 -1.994 200 HG21 VAL 28 HG21 VAL 28 24.328 -6.368 -0.022 201 HG22 VAL 28 HG22 VAL 28 22.671 -5.773 -0.126 202 HG23 VAL 28 HG23 VAL 28 23.269 -6.458 1.386 203 H ASP 29 H ASP 29 20.251 -5.790 0.576 204 HA ASP 29 HA ASP 29 20.226 -6.432 3.425 205 HB2 ASP 29 HB2 ASP 29 20.041 -4.148 3.844 206 HB3 ASP 29 HB3 ASP 29 21.021 -4.187 2.381 207 H ILE 30 H ILE 30 18.341 -7.493 1.261 208 HA ILE 30 HA ILE 30 15.852 -6.848 2.698 209 HB ILE 30 HB ILE 30 16.134 -7.333 -0.270 210 HG12 ILE 30 HG12 ILE 30 16.839 -5.092 0.353 211 HG13 ILE 30 HG13 ILE 30 15.278 -5.011 -0.456 212 HG21 ILE 30 HG21 ILE 30 14.028 -8.043 -0.178 213 HG22 ILE 30 HG22 ILE 30 13.887 -7.608 1.524 214 HG23 ILE 30 HG23 ILE 30 13.575 -6.401 0.278 215 HD11 ILE 30 HD11 ILE 30 14.652 -5.243 2.234 216 HD12 ILE 30 HD12 ILE 30 16.032 -4.146 2.185 217 HD13 ILE 30 HD13 ILE 30 14.583 -3.783 1.247 218 H VAL 31 H VAL 31 17.684 -9.227 0.851 219 HA VAL 31 HA VAL 31 15.806 -11.352 1.366 220 HB VAL 31 HB VAL 31 17.456 -12.818 0.309 221 HG11 VAL 31 HG11 VAL 31 16.868 -10.219 -1.086 222 HG12 VAL 31 HG12 VAL 31 17.602 -11.600 -1.904 223 HG13 VAL 31 HG13 VAL 31 15.990 -11.744 -1.202 224 HG21 VAL 31 HG21 VAL 31 19.428 -11.277 -0.732 225 HG22 VAL 31 HG22 VAL 31 19.227 -10.537 0.856 226 HG23 VAL 31 HG23 VAL 31 19.596 -12.256 0.725 227 H ALA 32 H ALA 32 18.604 -10.025 2.906 228 HA ALA 32 HA ALA 32 18.640 -12.281 4.802 229 HB1 ALA 32 HB1 ALA 32 20.857 -10.331 4.184 230 HB2 ALA 32 HB2 ALA 32 20.942 -11.677 5.320 231 HB3 ALA 32 HB3 ALA 32 20.749 -11.990 3.595 232 H ASN 33 H ASN 33 18.686 -8.767 4.481 233 HA ASN 33 HA ASN 33 18.447 -8.430 7.366 234 HB2 ASN 33 HB2 ASN 33 19.061 -6.656 5.063 235 HB3 ASN 33 HB3 ASN 33 18.254 -5.917 6.443 236 HD21 ASN 33 HD21 ASN 33 19.505 -5.184 7.996 237 HD22 ASN 33 HD22 ASN 33 21.137 -5.663 8.299 238 H GLY 34 H GLY 34 16.685 -7.182 4.517 239 HA2 GLY 34 HA2 GLY 34 14.433 -6.260 5.834 240 HA3 GLY 34 HA3 GLY 34 14.442 -6.832 4.172 241 H VAL 35 H VAL 35 15.285 -9.543 5.006 242 HA VAL 35 HA VAL 35 12.731 -10.708 5.238 243 HB VAL 35 HB VAL 35 14.719 -11.837 4.244 244 HG11 VAL 35 HG11 VAL 35 15.586 -12.701 6.953 245 HG12 VAL 35 HG12 VAL 35 16.512 -12.566 5.457 246 HG13 VAL 35 HG13 VAL 35 16.104 -11.117 6.378 247 HG21 VAL 35 HG21 VAL 35 14.187 -13.985 5.913 248 HG22 VAL 35 HG22 VAL 35 12.740 -12.983 6.026 249 HG23 VAL 35 HG23 VAL 35 13.301 -13.546 4.452 250 H GLY 36 H GLY 36 15.081 -9.706 7.607 251 HA2 GLY 36 HA2 GLY 36 14.321 -11.217 9.814 252 HA3 GLY 36 HA3 GLY 36 14.975 -9.588 9.897 253 H LEU 37 H LEU 37 12.716 -8.491 8.334 254 HA LEU 37 HA LEU 37 10.943 -8.055 10.564 255 HB2 LEU 37 HB2 LEU 37 11.234 -6.925 7.818 256 HB3 LEU 37 HB3 LEU 37 9.733 -6.665 8.705 257 HG LEU 37 HG LEU 37 11.315 -5.769 10.574 258 HD11 LEU 37 HD11 LEU 37 13.373 -6.510 9.378 259 HD12 LEU 37 HD12 LEU 37 13.360 -4.801 9.811 260 HD13 LEU 37 HD13 LEU 37 13.035 -5.291 8.149 261 HD21 LEU 37 HD21 LEU 37 11.142 -3.981 8.193 262 HD22 LEU 37 HD22 LEU 37 10.816 -3.631 9.890 263 HD23 LEU 37 HD23 LEU 37 9.659 -4.569 8.945 264 H LEU 38 H LEU 38 11.044 -10.122 7.844 265 HA LEU 38 HA LEU 38 8.199 -10.521 7.640 266 HB2 LEU 38 HB2 LEU 38 10.600 -11.840 6.422 267 HB3 LEU 38 HB3 LEU 38 8.987 -12.523 6.228 268 HG LEU 38 HG LEU 38 9.536 -11.250 4.272 269 HD11 LEU 38 HD11 LEU 38 7.508 -10.318 4.088 270 HD12 LEU 38 HD12 LEU 38 7.757 -9.261 5.477 271 HD13 LEU 38 HD13 LEU 38 7.253 -10.934 5.721 272 HD21 LEU 38 HD21 LEU 38 10.660 -9.319 4.262 273 HD22 LEU 38 HD22 LEU 38 11.007 -9.662 5.957 274 HD23 LEU 38 HD23 LEU 38 9.650 -8.620 5.527 275 H GLY 39 H GLY 39 10.948 -12.479 8.792 276 HA2 GLY 39 HA2 GLY 39 9.476 -14.681 9.683 277 HA3 GLY 39 HA3 GLY 39 11.046 -14.197 10.309 278 H LYS 40 H LYS 40 9.694 -11.522 11.005 279 HA LYS 40 HA LYS 40 9.170 -12.157 13.722 280 HB2 LYS 40 HB2 LYS 40 10.097 -9.983 12.923 281 HB3 LYS 40 HB3 LYS 40 8.520 -9.600 12.245 282 HG2 LYS 40 HG2 LYS 40 8.686 -10.315 15.126 283 HG3 LYS 40 HG3 LYS 40 9.249 -8.723 14.612 284 HD2 LYS 40 HD2 LYS 40 6.981 -8.597 13.362 285 HD3 LYS 40 HD3 LYS 40 6.500 -9.904 14.447 286 HE2 LYS 40 HE2 LYS 40 7.016 -8.525 16.376 287 HE3 LYS 40 HE3 LYS 40 7.595 -7.233 15.325 288 HZ1 LYS 40 HZ1 LYS 40 5.000 -7.930 14.534 289 HZ2 LYS 40 HZ2 LYS 40 5.539 -6.467 15.188 290 HZ3 LYS 40 HZ3 LYS 40 4.986 -7.697 16.209 291 H LEU 41 H LEU 41 7.055 -11.031 11.086 292 HA LEU 41 HA LEU 41 4.693 -11.528 12.695 293 HB2 LEU 41 HB2 LEU 41 4.792 -9.561 11.252 294 HB3 LEU 41 HB3 LEU 41 4.988 -10.599 9.841 295 HG LEU 41 HG LEU 41 2.555 -10.969 11.508 296 HD11 LEU 41 HD11 LEU 41 1.393 -9.152 10.499 297 HD12 LEU 41 HD12 LEU 41 2.785 -8.737 9.501 298 HD13 LEU 41 HD13 LEU 41 2.851 -8.500 11.247 299 HD21 LEU 41 HD21 LEU 41 3.454 -12.080 9.209 300 HD22 LEU 41 HD22 LEU 41 2.449 -10.775 8.577 301 HD23 LEU 41 HD23 LEU 41 1.754 -11.977 9.665 302 H PHE 42 H PHE 42 6.031 -12.706 9.612 303 HA PHE 42 HA PHE 42 4.092 -14.829 9.450 304 HB2 PHE 42 HB2 PHE 42 6.571 -14.276 7.806 305 HB3 PHE 42 HB3 PHE 42 5.375 -15.516 7.441 306 HD1 PHE 42 HD1 PHE 42 3.383 -14.992 6.305 307 HD2 PHE 42 HD2 PHE 42 5.898 -11.872 7.739 308 HE1 PHE 42 HE1 PHE 42 2.072 -13.351 5.024 309 HE2 PHE 42 HE2 PHE 42 4.590 -10.226 6.462 310 HZ PHE 42 HZ PHE 42 2.674 -10.964 5.103 311 H GLY 43 H GLY 43 7.632 -15.091 9.219 312 HA2 GLY 43 HA2 GLY 43 8.812 -16.298 11.044 313 HA3 GLY 43 HA3 GLY 43 7.461 -17.422 11.029 314 H PHE 44 H PHE 44 9.199 -16.008 8.285 315 HA PHE 44 HA PHE 44 9.298 -18.303 6.758 316 HB2 PHE 44 HB2 PHE 44 11.004 -15.837 6.840 317 HB3 PHE 44 HB3 PHE 44 11.425 -17.160 5.757 318 HD1 PHE 44 HD1 PHE 44 8.990 -18.110 4.671 319 HD2 PHE 44 HD2 PHE 44 10.059 -14.112 5.668 320 HE1 PHE 44 HE1 PHE 44 7.377 -17.269 3.014 321 HE2 PHE 44 HE2 PHE 44 8.447 -13.265 4.013 322 HZ PHE 44 HZ PHE 44 7.103 -14.844 2.685 Start of MODEL 11 1 H MET 1 H MET 1 0.455 0.228 0.313 2 HA MET 1 HA MET 1 2.681 0.714 -1.023 3 HB2 MET 1 HB2 MET 1 2.452 -0.271 1.812 4 HB3 MET 1 HB3 MET 1 3.995 0.231 1.134 5 HG2 MET 1 HG2 MET 1 1.667 2.070 0.930 6 HG3 MET 1 HG3 MET 1 2.495 1.901 2.476 7 HE1 MET 1 HE1 MET 1 1.871 4.196 0.535 8 HE2 MET 1 HE2 MET 1 3.302 5.215 0.387 9 HE3 MET 1 HE3 MET 1 2.841 4.144 -0.937 10 H THR 2 H THR 2 2.430 -1.190 -2.589 11 HA THR 2 HA THR 2 3.939 -3.542 -1.698 12 HB THR 2 HB THR 2 1.782 -3.949 -2.839 13 HG1 THR 2 HG1 THR 2 3.570 -5.447 -3.027 14 HG21 THR 2 HG21 THR 2 2.699 -3.406 -5.528 15 HG22 THR 2 HG22 THR 2 2.640 -1.930 -4.563 16 HG23 THR 2 HG23 THR 2 1.197 -2.929 -4.737 17 H GLY 3 H GLY 3 5.485 -4.480 -3.320 18 HA2 GLY 3 HA2 GLY 3 7.073 -4.204 -5.056 19 HA3 GLY 3 HA3 GLY 3 6.770 -2.473 -5.023 20 H LEU 4 H LEU 4 7.210 -4.030 -1.992 21 HA LEU 4 HA LEU 4 9.814 -2.709 -1.726 22 HB2 LEU 4 HB2 LEU 4 7.732 -3.605 0.233 23 HB3 LEU 4 HB3 LEU 4 9.383 -3.279 0.756 24 HG LEU 4 HG LEU 4 7.692 -1.239 -0.673 25 HD11 LEU 4 HD11 LEU 4 6.842 -0.446 1.302 26 HD12 LEU 4 HD12 LEU 4 8.120 -1.175 2.275 27 HD13 LEU 4 HD13 LEU 4 6.831 -2.182 1.615 28 HD21 LEU 4 HD21 LEU 4 10.282 -1.188 0.845 29 HD22 LEU 4 HD22 LEU 4 9.323 0.270 0.589 30 HD23 LEU 4 HD23 LEU 4 9.950 -0.628 -0.794 31 H ALA 5 H ALA 5 8.274 -5.821 -1.694 32 HA ALA 5 HA ALA 5 10.903 -7.069 -1.233 33 HB1 ALA 5 HB1 ALA 5 8.316 -8.356 -0.412 34 HB2 ALA 5 HB2 ALA 5 9.960 -8.793 0.056 35 HB3 ALA 5 HB3 ALA 5 9.233 -7.309 0.672 36 H GLU 6 H GLU 6 7.760 -7.271 -2.820 37 HA GLU 6 HA GLU 6 8.045 -9.623 -4.239 38 HB2 GLU 6 HB2 GLU 6 6.596 -7.063 -4.773 39 HB3 GLU 6 HB3 GLU 6 6.665 -8.283 -6.037 40 HG2 GLU 6 HG2 GLU 6 4.643 -8.299 -4.502 41 HG3 GLU 6 HG3 GLU 6 5.466 -9.834 -4.773 42 H ALA 7 H ALA 7 8.991 -6.352 -5.286 43 HA ALA 7 HA ALA 7 10.050 -6.977 -7.761 44 HB1 ALA 7 HB1 ALA 7 10.761 -4.843 -7.805 45 HB2 ALA 7 HB2 ALA 7 9.828 -4.704 -6.314 46 HB3 ALA 7 HB3 ALA 7 11.571 -4.969 -6.243 47 H ILE 8 H ILE 8 11.533 -7.252 -4.576 48 HA ILE 8 HA ILE 8 14.125 -7.941 -5.587 49 HB ILE 8 HB ILE 8 13.049 -8.441 -2.812 50 HG12 ILE 8 HG12 ILE 8 12.748 -6.094 -3.334 51 HG13 ILE 8 HG13 ILE 8 14.113 -6.266 -2.236 52 HG21 ILE 8 HG21 ILE 8 15.897 -7.903 -3.573 53 HG22 ILE 8 HG22 ILE 8 15.261 -8.661 -2.115 54 HG23 ILE 8 HG23 ILE 8 15.221 -9.530 -3.649 55 HD11 ILE 8 HD11 ILE 8 14.008 -5.193 -4.929 56 HD12 ILE 8 HD12 ILE 8 15.214 -4.969 -3.662 57 HD13 ILE 8 HD13 ILE 8 15.292 -6.382 -4.713 58 H ALA 9 H ALA 9 11.278 -9.701 -4.538 59 HA ALA 9 HA ALA 9 12.597 -12.266 -4.588 60 HB1 ALA 9 HB1 ALA 9 9.770 -12.553 -4.669 61 HB2 ALA 9 HB2 ALA 9 10.871 -12.836 -3.320 62 HB3 ALA 9 HB3 ALA 9 10.165 -11.238 -3.561 63 H ASN 10 H ASN 10 11.731 -10.228 -6.979 64 HA ASN 10 HA ASN 10 10.520 -12.138 -8.783 65 HB2 ASN 10 HB2 ASN 10 10.221 -9.514 -8.661 66 HB3 ASN 10 HB3 ASN 10 11.628 -9.525 -9.720 67 HD21 ASN 10 HD21 ASN 10 10.155 -8.540 -11.250 68 HD22 ASN 10 HD22 ASN 10 9.127 -9.552 -12.202 69 H THR 11 H THR 11 13.657 -11.279 -7.834 70 HA THR 11 HA THR 11 14.800 -12.463 -10.279 71 HB THR 11 HB THR 11 15.515 -10.122 -9.798 72 HG1 THR 11 HG1 THR 11 17.771 -11.770 -9.432 73 HG21 THR 11 HG21 THR 11 16.475 -9.470 -7.854 74 HG22 THR 11 HG22 THR 11 17.303 -11.010 -7.624 75 HG23 THR 11 HG23 THR 11 15.599 -10.853 -7.199 76 H VAL 12 H VAL 12 14.590 -12.654 -6.817 77 HA VAL 12 HA VAL 12 16.765 -14.267 -6.202 78 HB VAL 12 HB VAL 12 15.560 -14.988 -4.241 79 HG11 VAL 12 HG11 VAL 12 15.632 -12.210 -5.095 80 HG12 VAL 12 HG12 VAL 12 14.413 -12.511 -3.855 81 HG13 VAL 12 HG13 VAL 12 16.100 -12.933 -3.557 82 HG21 VAL 12 HG21 VAL 12 13.129 -14.025 -5.729 83 HG22 VAL 12 HG22 VAL 12 13.450 -15.638 -5.091 84 HG23 VAL 12 HG23 VAL 12 13.136 -14.298 -3.987 85 H GLN 13 H GLN 13 13.837 -15.035 -7.882 86 HA GLN 13 HA GLN 13 13.591 -17.755 -7.499 87 HB2 GLN 13 HB2 GLN 13 13.082 -16.038 -9.918 88 HB3 GLN 13 HB3 GLN 13 12.736 -17.762 -9.919 89 HG2 GLN 13 HG2 GLN 13 11.535 -16.860 -7.605 90 HG3 GLN 13 HG3 GLN 13 11.243 -15.564 -8.764 91 HE21 GLN 13 HE21 GLN 13 10.523 -16.394 -10.972 92 HE22 GLN 13 HE22 GLN 13 9.314 -17.627 -10.959 93 H ALA 14 H ALA 14 15.759 -16.024 -9.688 94 HA ALA 14 HA ALA 14 17.059 -18.581 -10.349 95 HB1 ALA 14 HB1 ALA 14 17.909 -16.293 -11.927 96 HB2 ALA 14 HB2 ALA 14 17.310 -17.868 -12.447 97 HB3 ALA 14 HB3 ALA 14 16.173 -16.585 -12.032 98 H ALA 15 H ALA 15 17.620 -15.301 -9.197 99 HA ALA 15 HA ALA 15 20.448 -15.490 -9.053 100 HB1 ALA 15 HB1 ALA 15 18.800 -13.423 -8.933 101 HB2 ALA 15 HB2 ALA 15 18.981 -13.693 -7.200 102 HB3 ALA 15 HB3 ALA 15 20.402 -13.379 -8.196 103 H GLN 16 H GLN 16 17.904 -15.797 -6.579 104 HA GLN 16 HA GLN 16 17.860 -16.855 -4.566 105 HB2 GLN 16 HB2 GLN 16 20.321 -18.329 -5.508 106 HB3 GLN 16 HB3 GLN 16 19.184 -18.841 -4.267 107 HG2 GLN 16 HG2 GLN 16 17.441 -19.090 -5.942 108 HG3 GLN 16 HG3 GLN 16 18.552 -18.537 -7.194 109 HE21 GLN 16 HE21 GLN 16 20.302 -19.873 -7.781 110 HE22 GLN 16 HE22 GLN 16 20.271 -21.573 -7.476 111 H GLN 17 H GLN 17 19.234 -14.373 -4.794 112 HA GLN 17 HA GLN 17 20.511 -12.978 -3.530 113 HB2 GLN 17 HB2 GLN 17 20.899 -15.227 -1.569 114 HB3 GLN 17 HB3 GLN 17 20.873 -13.497 -1.255 115 HG2 GLN 17 HG2 GLN 17 18.497 -13.420 -1.719 116 HG3 GLN 17 HG3 GLN 17 18.503 -15.136 -2.121 117 HE21 GLN 17 HE21 GLN 17 20.037 -13.351 0.522 118 HE22 GLN 17 HE22 GLN 17 19.267 -14.228 1.796 119 H HIS 18 H HIS 18 21.767 -14.388 -5.595 120 HA HIS 18 HA HIS 18 24.441 -14.920 -4.482 121 HB2 HIS 18 HB2 HIS 18 23.655 -16.861 -5.631 122 HB3 HIS 18 HB3 HIS 18 23.114 -15.906 -7.008 123 HD1 HIS 18 HD1 HIS 18 24.872 -15.237 -8.750 124 HD2 HIS 18 HD2 HIS 18 26.425 -17.374 -5.543 125 HE1 HIS 18 HE1 HIS 18 27.205 -15.877 -9.435 126 H ASP 19 H ASP 19 23.259 -13.965 -7.700 127 HA ASP 19 HA ASP 19 25.467 -12.417 -8.376 128 HB2 ASP 19 HB2 ASP 19 23.556 -13.256 -9.873 129 HB3 ASP 19 HB3 ASP 19 22.686 -11.811 -9.363 130 H SER 20 H SER 20 22.751 -11.671 -6.369 131 HA SER 20 HA SER 20 22.976 -8.830 -6.499 132 HB2 SER 20 HB2 SER 20 21.840 -9.980 -4.034 133 HB3 SER 20 HB3 SER 20 21.144 -8.817 -5.163 134 HG SER 20 HG SER 20 20.667 -11.435 -4.967 135 H VAL 21 H VAL 21 24.594 -11.319 -4.730 136 HA VAL 21 HA VAL 21 25.537 -9.757 -2.560 137 HB VAL 21 HB VAL 21 26.834 -12.207 -3.760 138 HG11 VAL 21 HG11 VAL 21 27.175 -10.711 -1.194 139 HG12 VAL 21 HG12 VAL 21 27.497 -12.445 -1.260 140 HG13 VAL 21 HG13 VAL 21 28.400 -11.338 -2.295 141 HG21 VAL 21 HG21 VAL 21 24.593 -12.803 -3.262 142 HG22 VAL 21 HG22 VAL 21 25.578 -13.400 -1.927 143 HG23 VAL 21 HG23 VAL 21 24.628 -11.928 -1.731 144 H LYS 22 H LYS 22 26.523 -10.080 -5.857 145 HA LYS 22 HA LYS 22 28.991 -8.575 -5.299 146 HB2 LYS 22 HB2 LYS 22 28.839 -10.876 -6.648 147 HB3 LYS 22 HB3 LYS 22 28.498 -9.776 -7.977 148 HG2 LYS 22 HG2 LYS 22 30.819 -9.099 -6.286 149 HG3 LYS 22 HG3 LYS 22 30.967 -10.544 -7.289 150 HD2 LYS 22 HD2 LYS 22 30.044 -8.987 -9.170 151 HD3 LYS 22 HD3 LYS 22 30.600 -7.692 -8.107 152 HE2 LYS 22 HE2 LYS 22 32.834 -8.879 -8.052 153 HE3 LYS 22 HE3 LYS 22 32.226 -9.894 -9.359 154 HZ1 LYS 22 HZ1 LYS 22 33.188 -8.278 -10.587 155 HZ2 LYS 22 HZ2 LYS 22 33.013 -7.088 -9.398 156 HZ3 LYS 22 HZ3 LYS 22 31.693 -7.518 -10.364 157 H LEU 23 H LEU 23 25.961 -8.548 -7.003 158 HA LEU 23 HA LEU 23 26.466 -5.763 -7.769 159 HB2 LEU 23 HB2 LEU 23 26.709 -7.558 -9.660 160 HB3 LEU 23 HB3 LEU 23 24.947 -7.535 -9.630 161 HG LEU 23 HG LEU 23 25.846 -6.100 -11.392 162 HD11 LEU 23 HD11 LEU 23 24.495 -4.203 -10.966 163 HD12 LEU 23 HD12 LEU 23 24.654 -4.393 -9.220 164 HD13 LEU 23 HD13 LEU 23 23.721 -5.564 -10.154 165 HD21 LEU 23 HD21 LEU 23 27.006 -4.383 -9.209 166 HD22 LEU 23 HD22 LEU 23 27.185 -4.194 -10.953 167 HD23 LEU 23 HD23 LEU 23 27.957 -5.549 -10.128 168 H GLY 24 H GLY 24 25.133 -5.026 -6.128 169 HA2 GLY 24 HA2 GLY 24 22.609 -4.332 -6.476 170 HA3 GLY 24 HA3 GLY 24 22.384 -6.012 -6.014 171 H THR 25 H THR 25 22.144 -3.046 -4.828 172 HA THR 25 HA THR 25 23.202 -3.750 -2.171 173 HB THR 25 HB THR 25 24.193 -1.707 -2.860 174 HG1 THR 25 HG1 THR 25 22.815 -1.845 -0.733 175 HG21 THR 25 HG21 THR 25 21.408 -0.851 -3.644 176 HG22 THR 25 HG22 THR 25 22.801 -1.080 -4.702 177 HG23 THR 25 HG23 THR 25 22.781 0.251 -3.546 178 H SER 26 H SER 26 20.363 -2.737 -3.951 179 HA SER 26 HA SER 26 18.754 -2.514 -1.545 180 HB2 SER 26 HB2 SER 26 18.195 -2.122 -4.480 181 HB3 SER 26 HB3 SER 26 16.892 -2.159 -3.292 182 HG SER 26 HG SER 26 17.371 -0.095 -3.192 183 H ILE 27 H ILE 27 19.942 -5.051 -3.145 184 HA ILE 27 HA ILE 27 17.496 -6.669 -2.886 185 HB ILE 27 HB ILE 27 20.013 -7.280 -4.440 186 HG12 ILE 27 HG12 ILE 27 18.043 -7.217 -6.278 187 HG13 ILE 27 HG13 ILE 27 17.410 -6.037 -5.135 188 HG21 ILE 27 HG21 ILE 27 18.199 -9.028 -5.364 189 HG22 ILE 27 HG22 ILE 27 19.313 -9.391 -4.047 190 HG23 ILE 27 HG23 ILE 27 17.660 -8.894 -3.690 191 HD11 ILE 27 HD11 ILE 27 18.638 -4.587 -6.306 192 HD12 ILE 27 HD12 ILE 27 19.989 -5.227 -5.369 193 HD13 ILE 27 HD13 ILE 27 19.663 -5.850 -6.986 194 H VAL 28 H VAL 28 20.712 -6.195 -1.715 195 HA VAL 28 HA VAL 28 20.783 -8.760 -0.341 196 HB VAL 28 HB VAL 28 22.991 -8.024 0.484 197 HG11 VAL 28 HG11 VAL 28 23.137 -7.441 -2.415 198 HG12 VAL 28 HG12 VAL 28 24.044 -8.601 -1.441 199 HG13 VAL 28 HG13 VAL 28 22.393 -8.968 -1.942 200 HG21 VAL 28 HG21 VAL 28 23.483 -5.803 -1.194 201 HG22 VAL 28 HG22 VAL 28 22.008 -5.460 -0.290 202 HG23 VAL 28 HG23 VAL 28 23.495 -5.862 0.569 203 H ASP 29 H ASP 29 19.472 -5.754 0.215 204 HA ASP 29 HA ASP 29 19.641 -6.095 3.138 205 HB2 ASP 29 HB2 ASP 29 19.040 -3.528 1.660 206 HB3 ASP 29 HB3 ASP 29 19.341 -3.718 3.385 207 H ILE 30 H ILE 30 17.748 -7.259 1.114 208 HA ILE 30 HA ILE 30 15.270 -6.337 2.409 209 HB ILE 30 HB ILE 30 15.566 -7.089 -0.502 210 HG12 ILE 30 HG12 ILE 30 16.409 -4.838 0.016 211 HG13 ILE 30 HG13 ILE 30 14.935 -4.761 -0.943 212 HG21 ILE 30 HG21 ILE 30 13.420 -7.667 -0.367 213 HG22 ILE 30 HG22 ILE 30 13.278 -7.037 1.273 214 HG23 ILE 30 HG23 ILE 30 13.069 -5.959 -0.107 215 HD11 ILE 30 HD11 ILE 30 14.240 -4.715 1.817 216 HD12 ILE 30 HD12 ILE 30 15.487 -3.506 1.511 217 HD13 ILE 30 HD13 ILE 30 13.988 -3.481 0.583 218 H VAL 31 H VAL 31 16.967 -8.957 0.758 219 HA VAL 31 HA VAL 31 14.976 -10.925 1.425 220 HB VAL 31 HB VAL 31 16.565 -12.562 0.522 221 HG11 VAL 31 HG11 VAL 31 16.308 -10.096 -1.197 222 HG12 VAL 31 HG12 VAL 31 16.625 -11.733 -1.774 223 HG13 VAL 31 HG13 VAL 31 15.085 -11.351 -1.002 224 HG21 VAL 31 HG21 VAL 31 18.629 -11.531 1.342 225 HG22 VAL 31 HG22 VAL 31 18.712 -11.849 -0.390 226 HG23 VAL 31 HG23 VAL 31 18.426 -10.209 0.192 227 H ALA 32 H ALA 32 17.812 -9.624 2.908 228 HA ALA 32 HA ALA 32 17.711 -11.728 4.970 229 HB1 ALA 32 HB1 ALA 32 20.024 -9.962 4.178 230 HB2 ALA 32 HB2 ALA 32 20.040 -11.135 5.496 231 HB3 ALA 32 HB3 ALA 32 19.849 -11.682 3.830 232 H ASN 33 H ASN 33 17.839 -8.267 4.359 233 HA ASN 33 HA ASN 33 17.612 -7.691 7.213 234 HB2 ASN 33 HB2 ASN 33 18.887 -6.381 5.121 235 HB3 ASN 33 HB3 ASN 33 17.462 -5.392 5.428 236 HD21 ASN 33 HD21 ASN 33 17.216 -4.399 7.436 237 HD22 ASN 33 HD22 ASN 33 18.546 -4.194 8.520 238 H GLY 34 H GLY 34 15.951 -6.593 4.245 239 HA2 GLY 34 HA2 GLY 34 13.716 -5.495 5.474 240 HA3 GLY 34 HA3 GLY 34 13.739 -6.137 3.838 241 H VAL 35 H VAL 35 14.482 -8.836 4.892 242 HA VAL 35 HA VAL 35 11.891 -9.922 5.038 243 HB VAL 35 HB VAL 35 13.967 -11.138 4.295 244 HG11 VAL 35 HG11 VAL 35 15.321 -12.245 5.992 245 HG12 VAL 35 HG12 VAL 35 15.407 -10.491 6.168 246 HG13 VAL 35 HG13 VAL 35 14.403 -11.441 7.264 247 HG21 VAL 35 HG21 VAL 35 13.202 -13.244 5.815 248 HG22 VAL 35 HG22 VAL 35 11.814 -12.175 6.009 249 HG23 VAL 35 HG23 VAL 35 12.323 -12.675 4.396 250 H GLY 36 H GLY 36 14.000 -8.653 7.461 251 HA2 GLY 36 HA2 GLY 36 12.925 -10.032 9.704 252 HA3 GLY 36 HA3 GLY 36 13.852 -8.540 9.754 253 H LEU 37 H LEU 37 11.561 -7.699 7.708 254 HA LEU 37 HA LEU 37 9.961 -6.445 9.782 255 HB2 LEU 37 HB2 LEU 37 10.170 -6.104 6.809 256 HB3 LEU 37 HB3 LEU 37 8.878 -5.345 7.736 257 HG LEU 37 HG LEU 37 11.767 -4.880 8.411 258 HD11 LEU 37 HD11 LEU 37 11.903 -3.063 6.942 259 HD12 LEU 37 HD12 LEU 37 10.173 -3.092 6.603 260 HD13 LEU 37 HD13 LEU 37 11.216 -4.367 5.972 261 HD21 LEU 37 HD21 LEU 37 10.203 -2.615 8.839 262 HD22 LEU 37 HD22 LEU 37 10.812 -3.734 10.059 263 HD23 LEU 37 HD23 LEU 37 9.204 -3.967 9.371 264 H LEU 38 H LEU 38 9.587 -8.772 7.168 265 HA LEU 38 HA LEU 38 6.776 -9.163 7.915 266 HB2 LEU 38 HB2 LEU 38 6.352 -9.783 5.795 267 HB3 LEU 38 HB3 LEU 38 7.825 -8.872 5.467 268 HG LEU 38 HG LEU 38 7.662 -11.868 5.798 269 HD11 LEU 38 HD11 LEU 38 7.157 -10.144 3.543 270 HD12 LEU 38 HD12 LEU 38 6.967 -11.891 3.690 271 HD13 LEU 38 HD13 LEU 38 8.528 -11.210 3.235 272 HD21 LEU 38 HD21 LEU 38 9.833 -11.535 6.324 273 HD22 LEU 38 HD22 LEU 38 9.889 -9.943 5.565 274 HD23 LEU 38 HD23 LEU 38 10.004 -11.398 4.573 275 H GLY 39 H GLY 39 9.720 -10.351 8.726 276 HA2 GLY 39 HA2 GLY 39 9.279 -13.163 8.633 277 HA3 GLY 39 HA3 GLY 39 10.491 -12.336 9.600 278 H LYS 40 H LYS 40 8.158 -10.690 10.736 279 HA LYS 40 HA LYS 40 7.801 -12.267 13.074 280 HB2 LYS 40 HB2 LYS 40 6.857 -9.607 12.122 281 HB3 LYS 40 HB3 LYS 40 5.985 -10.357 13.452 282 HG2 LYS 40 HG2 LYS 40 8.965 -9.975 13.472 283 HG3 LYS 40 HG3 LYS 40 7.834 -8.764 14.081 284 HD2 LYS 40 HD2 LYS 40 6.888 -10.589 15.560 285 HD3 LYS 40 HD3 LYS 40 8.283 -11.564 15.094 286 HE2 LYS 40 HE2 LYS 40 9.795 -9.974 16.045 287 HE3 LYS 40 HE3 LYS 40 8.491 -8.819 16.319 288 HZ1 LYS 40 HZ1 LYS 40 7.532 -10.295 17.940 289 HZ2 LYS 40 HZ2 LYS 40 9.148 -10.004 18.345 290 HZ3 LYS 40 HZ3 LYS 40 8.706 -11.474 17.633 291 H LEU 41 H LEU 41 5.630 -11.320 10.428 292 HA LEU 41 HA LEU 41 3.461 -12.906 11.487 293 HB2 LEU 41 HB2 LEU 41 2.994 -10.821 10.328 294 HB3 LEU 41 HB3 LEU 41 3.767 -11.440 8.870 295 HG LEU 41 HG LEU 41 1.447 -12.946 9.963 296 HD11 LEU 41 HD11 LEU 41 -0.067 -11.455 8.638 297 HD12 LEU 41 HD12 LEU 41 1.255 -10.291 8.556 298 HD13 LEU 41 HD13 LEU 41 0.571 -10.739 10.118 299 HD21 LEU 41 HD21 LEU 41 3.023 -13.228 7.776 300 HD22 LEU 41 HD22 LEU 41 1.692 -12.280 7.112 301 HD23 LEU 41 HD23 LEU 41 1.368 -13.826 7.897 302 H PHE 42 H PHE 42 5.586 -13.034 8.639 303 HA PHE 42 HA PHE 42 4.550 -15.529 7.723 304 HB2 PHE 42 HB2 PHE 42 7.014 -13.939 7.019 305 HB3 PHE 42 HB3 PHE 42 6.649 -15.490 6.272 306 HD1 PHE 42 HD1 PHE 42 5.435 -15.520 4.320 307 HD2 PHE 42 HD2 PHE 42 5.069 -12.181 6.934 308 HE1 PHE 42 HE1 PHE 42 4.003 -14.389 2.669 309 HE2 PHE 42 HE2 PHE 42 3.636 -11.045 5.288 310 HZ PHE 42 HZ PHE 42 3.101 -12.149 3.153 311 H GLY 43 H GLY 43 7.909 -14.833 8.687 312 HA2 GLY 43 HA2 GLY 43 8.331 -16.398 10.821 313 HA3 GLY 43 HA3 GLY 43 8.228 -17.592 9.536 314 H PHE 44 H PHE 44 9.998 -18.019 8.360 315 HA PHE 44 HA PHE 44 12.191 -18.038 7.750 316 HB2 PHE 44 HB2 PHE 44 12.001 -15.026 7.887 317 HB3 PHE 44 HB3 PHE 44 13.101 -15.984 6.901 318 HD1 PHE 44 HD1 PHE 44 11.531 -17.905 5.559 319 HD2 PHE 44 HD2 PHE 44 10.494 -13.905 6.581 320 HE1 PHE 44 HE1 PHE 44 9.913 -17.854 3.705 321 HE2 PHE 44 HE2 PHE 44 8.874 -13.848 4.730 322 HZ PHE 44 HZ PHE 44 8.582 -15.824 3.289 Start of MODEL 12 1 H MET 1 H MET 1 0.522 -1.868 -6.871 2 HA MET 1 HA MET 1 1.595 -0.343 -5.570 3 HB2 MET 1 HB2 MET 1 0.371 0.426 -3.484 4 HB3 MET 1 HB3 MET 1 -0.494 0.614 -5.004 5 HG2 MET 1 HG2 MET 1 -1.731 -1.460 -4.524 6 HG3 MET 1 HG3 MET 1 -0.904 -1.565 -2.971 7 HE1 MET 1 HE1 MET 1 -3.573 -0.691 -4.946 8 HE2 MET 1 HE2 MET 1 -4.759 -0.247 -3.718 9 HE3 MET 1 HE3 MET 1 -3.977 1.006 -4.684 10 H THR 2 H THR 2 2.462 -2.962 -5.375 11 HA THR 2 HA THR 2 3.455 -3.006 -2.613 12 HB THR 2 HB THR 2 1.781 -4.702 -2.563 13 HG1 THR 2 HG1 THR 2 4.152 -5.206 -1.968 14 HG21 THR 2 HG21 THR 2 1.111 -5.391 -4.609 15 HG22 THR 2 HG22 THR 2 2.306 -6.662 -4.356 16 HG23 THR 2 HG23 THR 2 2.724 -5.235 -5.303 17 H GLY 3 H GLY 3 5.554 -3.760 -2.356 18 HA2 GLY 3 HA2 GLY 3 7.085 -5.148 -4.216 19 HA3 GLY 3 HA3 GLY 3 7.280 -3.440 -4.582 20 H LEU 4 H LEU 4 6.825 -4.787 -1.363 21 HA LEU 4 HA LEU 4 9.169 -3.435 -0.412 22 HB2 LEU 4 HB2 LEU 4 7.327 -5.384 0.965 23 HB3 LEU 4 HB3 LEU 4 8.580 -4.433 1.759 24 HG LEU 4 HG LEU 4 7.225 -2.414 0.742 25 HD11 LEU 4 HD11 LEU 4 4.725 -3.490 1.256 26 HD12 LEU 4 HD12 LEU 4 5.517 -4.694 0.240 27 HD13 LEU 4 HD13 LEU 4 5.371 -3.028 -0.319 28 HD21 LEU 4 HD21 LEU 4 5.716 -2.628 2.863 29 HD22 LEU 4 HD22 LEU 4 7.459 -2.412 3.031 30 HD23 LEU 4 HD23 LEU 4 6.746 -4.016 3.214 31 H ALA 5 H ALA 5 8.205 -6.871 -0.307 32 HA ALA 5 HA ALA 5 11.066 -7.572 -0.403 33 HB1 ALA 5 HB1 ALA 5 8.787 -9.160 0.771 34 HB2 ALA 5 HB2 ALA 5 10.484 -9.643 0.749 35 HB3 ALA 5 HB3 ALA 5 9.980 -8.234 1.682 36 H GLU 6 H GLU 6 7.966 -7.975 -1.884 37 HA GLU 6 HA GLU 6 8.345 -10.325 -3.332 38 HB2 GLU 6 HB2 GLU 6 6.660 -7.894 -3.668 39 HB3 GLU 6 HB3 GLU 6 6.825 -8.965 -5.052 40 HG2 GLU 6 HG2 GLU 6 6.168 -10.838 -3.428 41 HG3 GLU 6 HG3 GLU 6 5.626 -9.535 -2.371 42 H ALA 7 H ALA 7 9.225 -6.989 -4.140 43 HA ALA 7 HA ALA 7 10.129 -7.391 -6.739 44 HB1 ALA 7 HB1 ALA 7 10.791 -5.247 -6.644 45 HB2 ALA 7 HB2 ALA 7 9.966 -5.249 -5.084 46 HB3 ALA 7 HB3 ALA 7 11.712 -5.490 -5.159 47 H ILE 8 H ILE 8 11.958 -7.562 -3.691 48 HA ILE 8 HA ILE 8 14.436 -8.217 -4.856 49 HB ILE 8 HB ILE 8 13.378 -8.796 -2.089 50 HG12 ILE 8 HG12 ILE 8 15.237 -6.913 -1.727 51 HG13 ILE 8 HG13 ILE 8 14.793 -6.517 -3.383 52 HG21 ILE 8 HG21 ILE 8 16.180 -9.051 -3.171 53 HG22 ILE 8 HG22 ILE 8 15.745 -9.131 -1.465 54 HG23 ILE 8 HG23 ILE 8 15.150 -10.357 -2.585 55 HD11 ILE 8 HD11 ILE 8 13.590 -5.314 -1.474 56 HD12 ILE 8 HD12 ILE 8 12.615 -5.966 -2.792 57 HD13 ILE 8 HD13 ILE 8 12.713 -6.829 -1.257 58 H ALA 9 H ALA 9 11.740 -10.196 -3.750 59 HA ALA 9 HA ALA 9 13.138 -12.679 -4.176 60 HB1 ALA 9 HB1 ALA 9 10.295 -13.015 -4.047 61 HB2 ALA 9 HB2 ALA 9 11.530 -13.496 -2.884 62 HB3 ALA 9 HB3 ALA 9 10.822 -11.883 -2.802 63 H ASN 10 H ASN 10 11.952 -10.461 -6.265 64 HA ASN 10 HA ASN 10 10.685 -12.257 -8.145 65 HB2 ASN 10 HB2 ASN 10 10.274 -9.673 -7.727 66 HB3 ASN 10 HB3 ASN 10 11.564 -9.508 -8.914 67 HD21 ASN 10 HD21 ASN 10 11.261 -10.714 -10.954 68 HD22 ASN 10 HD22 ASN 10 9.662 -10.819 -11.600 69 H THR 11 H THR 11 13.846 -11.332 -7.378 70 HA THR 11 HA THR 11 14.820 -12.188 -10.024 71 HB THR 11 HB THR 11 15.489 -9.891 -9.440 72 HG1 THR 11 HG1 THR 11 17.854 -11.387 -9.197 73 HG21 THR 11 HG21 THR 11 17.134 -9.562 -7.605 74 HG22 THR 11 HG22 THR 11 16.836 -11.221 -7.088 75 HG23 THR 11 HG23 THR 11 15.535 -10.032 -7.031 76 H VAL 12 H VAL 12 14.885 -12.776 -6.612 77 HA VAL 12 HA VAL 12 17.198 -14.307 -6.353 78 HB VAL 12 HB VAL 12 16.201 -15.296 -4.388 79 HG11 VAL 12 HG11 VAL 12 16.077 -12.438 -4.936 80 HG12 VAL 12 HG12 VAL 12 15.014 -12.939 -3.619 81 HG13 VAL 12 HG13 VAL 12 16.739 -13.298 -3.546 82 HG21 VAL 12 HG21 VAL 12 13.740 -14.564 -3.922 83 HG22 VAL 12 HG22 VAL 12 13.647 -14.441 -5.679 84 HG23 VAL 12 HG23 VAL 12 14.064 -15.979 -4.923 85 H GLN 13 H GLN 13 14.210 -15.035 -7.913 86 HA GLN 13 HA GLN 13 14.072 -17.787 -7.785 87 HB2 GLN 13 HB2 GLN 13 13.408 -15.904 -10.046 88 HB3 GLN 13 HB3 GLN 13 13.042 -17.623 -10.100 89 HG2 GLN 13 HG2 GLN 13 12.014 -16.783 -7.668 90 HG3 GLN 13 HG3 GLN 13 11.635 -15.472 -8.784 91 HE21 GLN 13 HE21 GLN 13 10.434 -15.979 -10.693 92 HE22 GLN 13 HE22 GLN 13 9.363 -17.334 -10.712 93 H ALA 14 H ALA 14 16.058 -15.774 -9.907 94 HA ALA 14 HA ALA 14 17.440 -18.210 -10.824 95 HB1 ALA 14 HB1 ALA 14 17.424 -17.410 -12.898 96 HB2 ALA 14 HB2 ALA 14 16.314 -16.164 -12.326 97 HB3 ALA 14 HB3 ALA 14 18.048 -15.846 -12.373 98 H ALA 15 H ALA 15 17.842 -14.989 -9.490 99 HA ALA 15 HA ALA 15 20.694 -14.985 -9.578 100 HB1 ALA 15 HB1 ALA 15 19.033 -12.998 -9.355 101 HB2 ALA 15 HB2 ALA 15 19.140 -13.340 -7.628 102 HB3 ALA 15 HB3 ALA 15 20.594 -12.928 -8.536 103 H GLN 16 H GLN 16 18.298 -15.733 -7.076 104 HA GLN 16 HA GLN 16 18.445 -16.889 -5.123 105 HB2 GLN 16 HB2 GLN 16 21.106 -17.888 -6.142 106 HB3 GLN 16 HB3 GLN 16 20.078 -18.644 -4.932 107 HG2 GLN 16 HG2 GLN 16 18.382 -19.075 -6.624 108 HG3 GLN 16 HG3 GLN 16 19.392 -18.296 -7.841 109 HE21 GLN 16 HE21 GLN 16 20.625 -19.575 -9.010 110 HE22 GLN 16 HE22 GLN 16 21.132 -21.170 -8.582 111 H GLN 17 H GLN 17 19.433 -14.201 -5.256 112 HA GLN 17 HA GLN 17 20.480 -12.684 -3.924 113 HB2 GLN 17 HB2 GLN 17 21.192 -14.922 -2.043 114 HB3 GLN 17 HB3 GLN 17 20.896 -13.230 -1.666 115 HG2 GLN 17 HG2 GLN 17 18.530 -13.529 -2.232 116 HG3 GLN 17 HG3 GLN 17 18.837 -15.232 -2.566 117 HE21 GLN 17 HE21 GLN 17 17.291 -15.755 -0.962 118 HE22 GLN 17 HE22 GLN 17 17.695 -15.682 0.716 119 H HIS 18 H HIS 18 21.944 -13.773 -6.028 120 HA HIS 18 HA HIS 18 24.666 -13.855 -4.902 121 HB2 HIS 18 HB2 HIS 18 24.232 -15.968 -5.935 122 HB3 HIS 18 HB3 HIS 18 23.550 -15.199 -7.365 123 HD1 HIS 18 HD1 HIS 18 25.155 -14.498 -9.193 124 HD2 HIS 18 HD2 HIS 18 27.079 -15.822 -5.757 125 HE1 HIS 18 HE1 HIS 18 27.579 -14.719 -9.823 126 H ASP 19 H ASP 19 22.988 -13.069 -7.952 127 HA ASP 19 HA ASP 19 24.956 -11.364 -8.963 128 HB2 ASP 19 HB2 ASP 19 22.782 -12.374 -10.054 129 HB3 ASP 19 HB3 ASP 19 22.068 -10.845 -9.550 130 H SER 20 H SER 20 22.319 -10.769 -6.734 131 HA SER 20 HA SER 20 22.523 -7.920 -6.807 132 HB2 SER 20 HB2 SER 20 21.282 -8.342 -4.464 133 HB3 SER 20 HB3 SER 20 20.450 -8.474 -6.014 134 HG SER 20 HG SER 20 20.363 -10.591 -5.806 135 H VAL 21 H VAL 21 24.516 -10.276 -5.553 136 HA VAL 21 HA VAL 21 25.361 -8.894 -3.171 137 HB VAL 21 HB VAL 21 26.796 -11.133 -4.597 138 HG11 VAL 21 HG11 VAL 21 28.290 -10.367 -3.031 139 HG12 VAL 21 HG12 VAL 21 27.024 -9.840 -1.921 140 HG13 VAL 21 HG13 VAL 21 27.400 -11.556 -2.081 141 HG21 VAL 21 HG21 VAL 21 24.464 -11.752 -4.131 142 HG22 VAL 21 HG22 VAL 21 25.601 -12.676 -3.150 143 HG23 VAL 21 HG23 VAL 21 24.704 -11.338 -2.433 144 H LYS 22 H LYS 22 25.949 -8.521 -6.458 145 HA LYS 22 HA LYS 22 28.473 -7.097 -5.918 146 HB2 LYS 22 HB2 LYS 22 28.078 -9.185 -7.689 147 HB3 LYS 22 HB3 LYS 22 27.978 -7.763 -8.719 148 HG2 LYS 22 HG2 LYS 22 30.230 -7.937 -6.792 149 HG3 LYS 22 HG3 LYS 22 30.270 -8.966 -8.225 150 HD2 LYS 22 HD2 LYS 22 29.691 -6.756 -9.484 151 HD3 LYS 22 HD3 LYS 22 30.316 -5.982 -8.026 152 HE2 LYS 22 HE2 LYS 22 32.172 -6.130 -9.438 153 HE3 LYS 22 HE3 LYS 22 32.363 -7.489 -8.331 154 HZ1 LYS 22 HZ1 LYS 22 30.850 -8.285 -10.578 155 HZ2 LYS 22 HZ2 LYS 22 32.337 -8.881 -10.034 156 HZ3 LYS 22 HZ3 LYS 22 32.291 -7.567 -11.099 157 H LEU 23 H LEU 23 25.322 -7.009 -7.404 158 HA LEU 23 HA LEU 23 25.675 -4.127 -7.859 159 HB2 LEU 23 HB2 LEU 23 24.046 -4.503 -9.829 160 HB3 LEU 23 HB3 LEU 23 25.760 -4.852 -10.043 161 HG LEU 23 HG LEU 23 23.922 -7.070 -9.269 162 HD11 LEU 23 HD11 LEU 23 24.218 -6.929 -12.117 163 HD12 LEU 23 HD12 LEU 23 23.426 -5.472 -11.517 164 HD13 LEU 23 HD13 LEU 23 22.749 -7.058 -11.150 165 HD21 LEU 23 HD21 LEU 23 26.057 -7.873 -9.352 166 HD22 LEU 23 HD22 LEU 23 26.564 -6.720 -10.586 167 HD23 LEU 23 HD23 LEU 23 25.584 -8.117 -11.034 168 H GLY 24 H GLY 24 24.536 -5.416 -5.593 169 HA2 GLY 24 HA2 GLY 24 21.969 -4.095 -5.582 170 HA3 GLY 24 HA3 GLY 24 21.863 -5.845 -5.455 171 H THR 25 H THR 25 23.659 -3.130 -4.003 172 HA THR 25 HA THR 25 24.221 -4.483 -1.584 173 HB THR 25 HB THR 25 25.551 -2.565 -2.254 174 HG1 THR 25 HG1 THR 25 24.778 -3.031 0.117 175 HG21 THR 25 HG21 THR 25 23.086 -0.892 -1.757 176 HG22 THR 25 HG22 THR 25 23.726 -1.296 -3.350 177 HG23 THR 25 HG23 THR 25 24.677 -0.307 -2.242 178 H SER 26 H SER 26 21.591 -2.372 -2.602 179 HA SER 26 HA SER 26 20.402 -2.341 0.036 180 HB2 SER 26 HB2 SER 26 20.321 -0.464 -1.772 181 HB3 SER 26 HB3 SER 26 19.000 -1.412 -2.454 182 HG SER 26 HG SER 26 17.780 -0.564 -0.985 183 H ILE 27 H ILE 27 20.625 -4.662 -2.200 184 HA ILE 27 HA ILE 27 17.865 -5.619 -1.884 185 HB ILE 27 HB ILE 27 19.843 -6.999 -3.645 186 HG12 ILE 27 HG12 ILE 27 20.119 -4.663 -4.255 187 HG13 ILE 27 HG13 ILE 27 19.203 -5.491 -5.509 188 HG21 ILE 27 HG21 ILE 27 17.346 -6.735 -4.867 189 HG22 ILE 27 HG22 ILE 27 18.005 -8.168 -4.079 190 HG23 ILE 27 HG23 ILE 27 17.006 -7.040 -3.163 191 HD11 ILE 27 HD11 ILE 27 17.160 -4.518 -4.743 192 HD12 ILE 27 HD12 ILE 27 17.965 -3.826 -3.334 193 HD13 ILE 27 HD13 ILE 27 18.352 -3.236 -4.950 194 H VAL 28 H VAL 28 21.221 -6.808 -1.737 195 HA VAL 28 HA VAL 28 20.703 -9.320 -0.665 196 HB VAL 28 HB VAL 28 22.999 -9.363 0.091 197 HG11 VAL 28 HG11 VAL 28 23.761 -7.915 -2.211 198 HG12 VAL 28 HG12 VAL 28 23.534 -9.657 -2.043 199 HG13 VAL 28 HG13 VAL 28 22.187 -8.635 -2.545 200 HG21 VAL 28 HG21 VAL 28 24.413 -7.344 -0.015 201 HG22 VAL 28 HG22 VAL 28 22.981 -6.383 -0.382 202 HG23 VAL 28 HG23 VAL 28 23.119 -7.201 1.175 203 H ASP 29 H ASP 29 20.578 -6.208 0.822 204 HA ASP 29 HA ASP 29 20.556 -7.352 3.512 205 HB2 ASP 29 HB2 ASP 29 20.374 -4.454 2.662 206 HB3 ASP 29 HB3 ASP 29 20.600 -5.048 4.305 207 H ILE 30 H ILE 30 18.398 -7.765 1.505 208 HA ILE 30 HA ILE 30 16.176 -6.759 3.153 209 HB ILE 30 HB ILE 30 16.203 -6.948 0.138 210 HG12 ILE 30 HG12 ILE 30 17.395 -4.985 1.024 211 HG13 ILE 30 HG13 ILE 30 15.910 -4.517 0.203 212 HG21 ILE 30 HG21 ILE 30 14.006 -7.278 0.352 213 HG22 ILE 30 HG22 ILE 30 14.034 -6.903 2.075 214 HG23 ILE 30 HG23 ILE 30 13.922 -5.601 0.890 215 HD11 ILE 30 HD11 ILE 30 15.366 -4.938 2.972 216 HD12 ILE 30 HD12 ILE 30 16.740 -3.847 2.795 217 HD13 ILE 30 HD13 ILE 30 15.207 -3.467 2.012 218 H VAL 31 H VAL 31 17.343 -9.229 0.918 219 HA VAL 31 HA VAL 31 15.095 -10.968 1.342 220 HB VAL 31 HB VAL 31 16.436 -10.972 -0.760 221 HG11 VAL 31 HG11 VAL 31 18.649 -10.728 0.287 222 HG12 VAL 31 HG12 VAL 31 18.513 -12.368 0.925 223 HG13 VAL 31 HG13 VAL 31 18.581 -12.100 -0.817 224 HG21 VAL 31 HG21 VAL 31 16.345 -13.351 -1.088 225 HG22 VAL 31 HG22 VAL 31 16.418 -13.638 0.650 226 HG23 VAL 31 HG23 VAL 31 14.995 -12.874 -0.058 227 H ALA 32 H ALA 32 18.161 -10.430 2.852 228 HA ALA 32 HA ALA 32 17.786 -12.845 4.499 229 HB1 ALA 32 HB1 ALA 32 20.356 -11.315 4.158 230 HB2 ALA 32 HB2 ALA 32 20.130 -12.909 4.880 231 HB3 ALA 32 HB3 ALA 32 19.897 -12.685 3.147 232 H ASN 33 H ASN 33 18.516 -9.394 4.555 233 HA ASN 33 HA ASN 33 18.447 -9.347 7.466 234 HB2 ASN 33 HB2 ASN 33 19.826 -7.856 5.586 235 HB3 ASN 33 HB3 ASN 33 18.558 -6.756 6.118 236 HD21 ASN 33 HD21 ASN 33 20.671 -9.171 7.642 237 HD22 ASN 33 HD22 ASN 33 21.193 -8.145 8.931 238 H GLY 34 H GLY 34 16.829 -7.501 4.868 239 HA2 GLY 34 HA2 GLY 34 14.833 -6.367 6.437 240 HA3 GLY 34 HA3 GLY 34 14.694 -6.674 4.712 241 H VAL 35 H VAL 35 15.070 -9.596 5.155 242 HA VAL 35 HA VAL 35 12.409 -10.389 5.186 243 HB VAL 35 HB VAL 35 14.308 -11.761 4.331 244 HG11 VAL 35 HG11 VAL 35 14.776 -12.970 6.975 245 HG12 VAL 35 HG12 VAL 35 15.898 -12.672 5.645 246 HG13 VAL 35 HG13 VAL 35 15.457 -11.361 6.740 247 HG21 VAL 35 HG21 VAL 35 13.393 -13.956 5.331 248 HG22 VAL 35 HG22 VAL 35 12.262 -12.914 6.193 249 HG23 VAL 35 HG23 VAL 35 12.290 -12.916 4.430 250 H GLY 36 H GLY 36 14.638 -9.897 7.829 251 HA2 GLY 36 HA2 GLY 36 13.185 -11.318 9.812 252 HA3 GLY 36 HA3 GLY 36 14.395 -10.079 10.108 253 H LEU 37 H LEU 37 12.664 -8.278 8.309 254 HA LEU 37 HA LEU 37 11.096 -7.203 10.496 255 HB2 LEU 37 HB2 LEU 37 11.947 -6.246 7.807 256 HB3 LEU 37 HB3 LEU 37 10.552 -5.490 8.572 257 HG LEU 37 HG LEU 37 12.162 -5.152 10.584 258 HD11 LEU 37 HD11 LEU 37 14.443 -5.149 10.186 259 HD12 LEU 37 HD12 LEU 37 14.243 -5.147 8.434 260 HD13 LEU 37 HD13 LEU 37 13.908 -6.611 9.358 261 HD21 LEU 37 HD21 LEU 37 12.959 -3.030 9.575 262 HD22 LEU 37 HD22 LEU 37 11.234 -3.318 9.340 263 HD23 LEU 37 HD23 LEU 37 12.364 -3.592 8.012 264 H LEU 38 H LEU 38 10.595 -8.902 7.496 265 HA LEU 38 HA LEU 38 7.712 -8.476 7.601 266 HB2 LEU 38 HB2 LEU 38 7.604 -9.330 5.446 267 HB3 LEU 38 HB3 LEU 38 9.133 -8.453 5.471 268 HG LEU 38 HG LEU 38 10.051 -10.882 6.078 269 HD11 LEU 38 HD11 LEU 38 7.361 -11.301 4.936 270 HD12 LEU 38 HD12 LEU 38 8.310 -12.320 6.017 271 HD13 LEU 38 HD13 LEU 38 8.659 -12.305 4.289 272 HD21 LEU 38 HD21 LEU 38 10.844 -9.528 4.242 273 HD22 LEU 38 HD22 LEU 38 9.383 -9.871 3.315 274 HD23 LEU 38 HD23 LEU 38 10.527 -11.167 3.671 275 H GLY 39 H GLY 39 10.096 -10.869 8.376 276 HA2 GLY 39 HA2 GLY 39 8.626 -13.219 8.322 277 HA3 GLY 39 HA3 GLY 39 9.922 -12.886 9.461 278 H LYS 40 H LYS 40 8.498 -10.594 10.630 279 HA LYS 40 HA LYS 40 6.792 -12.129 12.427 280 HB2 LYS 40 HB2 LYS 40 7.817 -9.291 12.619 281 HB3 LYS 40 HB3 LYS 40 6.884 -10.116 13.861 282 HG2 LYS 40 HG2 LYS 40 9.530 -11.130 12.860 283 HG3 LYS 40 HG3 LYS 40 9.371 -10.020 14.224 284 HD2 LYS 40 HD2 LYS 40 7.661 -11.822 15.078 285 HD3 LYS 40 HD3 LYS 40 8.564 -12.883 13.994 286 HE2 LYS 40 HE2 LYS 40 9.528 -13.041 16.182 287 HE3 LYS 40 HE3 LYS 40 10.654 -12.170 15.142 288 HZ1 LYS 40 HZ1 LYS 40 10.610 -10.488 16.556 289 HZ2 LYS 40 HZ2 LYS 40 9.544 -11.331 17.563 290 HZ3 LYS 40 HZ3 LYS 40 8.939 -10.314 16.353 291 H LEU 41 H LEU 41 6.597 -9.591 10.042 292 HA LEU 41 HA LEU 41 3.986 -8.686 10.709 293 HB2 LEU 41 HB2 LEU 41 5.888 -7.655 9.198 294 HB3 LEU 41 HB3 LEU 41 5.025 -8.514 7.924 295 HG LEU 41 HG LEU 41 3.590 -6.610 9.745 296 HD11 LEU 41 HD11 LEU 41 4.147 -5.327 7.301 297 HD12 LEU 41 HD12 LEU 41 5.684 -5.925 7.927 298 HD13 LEU 41 HD13 LEU 41 4.679 -4.867 8.919 299 HD21 LEU 41 HD21 LEU 41 1.974 -6.546 8.042 300 HD22 LEU 41 HD22 LEU 41 2.423 -8.246 8.183 301 HD23 LEU 41 HD23 LEU 41 3.066 -7.270 6.861 302 H PHE 42 H PHE 42 5.187 -10.827 8.125 303 HA PHE 42 HA PHE 42 2.465 -11.657 7.519 304 HB2 PHE 42 HB2 PHE 42 5.096 -12.442 6.249 305 HB3 PHE 42 HB3 PHE 42 3.505 -12.920 5.667 306 HD1 PHE 42 HD1 PHE 42 2.289 -11.540 4.228 307 HD2 PHE 42 HD2 PHE 42 5.673 -9.982 6.286 308 HE1 PHE 42 HE1 PHE 42 2.171 -9.495 2.866 309 HE2 PHE 42 HE2 PHE 42 5.560 -7.933 4.928 310 HZ PHE 42 HZ PHE 42 3.807 -7.687 3.216 311 H GLY 43 H GLY 43 5.509 -13.462 7.992 312 HA2 GLY 43 HA2 GLY 43 5.766 -15.108 9.730 313 HA3 GLY 43 HA3 GLY 43 4.025 -15.342 9.706 314 H PHE 44 H PHE 44 6.576 -15.391 7.214 315 HA PHE 44 HA PHE 44 5.389 -17.386 5.659 316 HB2 PHE 44 HB2 PHE 44 7.722 -17.681 4.712 317 HB3 PHE 44 HB3 PHE 44 7.081 -16.042 4.662 318 HD1 PHE 44 HD1 PHE 44 9.159 -18.253 6.824 319 HD2 PHE 44 HD2 PHE 44 8.397 -14.311 5.413 320 HE1 PHE 44 HE1 PHE 44 11.153 -17.444 8.017 321 HE2 PHE 44 HE2 PHE 44 10.390 -13.495 6.603 322 HZ PHE 44 HZ PHE 44 11.772 -15.063 7.907 Start of MODEL 13 1 H MET 1 H MET 1 3.698 1.219 0.337 2 HA MET 1 HA MET 1 1.386 0.244 -1.148 3 HB2 MET 1 HB2 MET 1 3.682 1.763 -2.347 4 HB3 MET 1 HB3 MET 1 2.820 0.556 -3.292 5 HG2 MET 1 HG2 MET 1 1.659 2.416 -3.879 6 HG3 MET 1 HG3 MET 1 0.715 1.901 -2.483 7 HE1 MET 1 HE1 MET 1 4.114 4.891 -2.196 8 HE2 MET 1 HE2 MET 1 3.932 3.554 -3.332 9 HE3 MET 1 HE3 MET 1 3.165 5.107 -3.668 10 H THR 2 H THR 2 1.744 -1.745 -2.221 11 HA THR 2 HA THR 2 3.518 -3.493 -0.887 12 HB THR 2 HB THR 2 1.398 -4.265 -1.871 13 HG1 THR 2 HG1 THR 2 3.566 -5.590 -3.148 14 HG21 THR 2 HG21 THR 2 1.020 -4.433 -4.184 15 HG22 THR 2 HG22 THR 2 2.717 -4.143 -4.570 16 HG23 THR 2 HG23 THR 2 1.711 -2.826 -3.969 17 H GLY 3 H GLY 3 5.154 -4.870 -1.952 18 HA2 GLY 3 HA2 GLY 3 6.681 -5.179 -3.817 19 HA3 GLY 3 HA3 GLY 3 6.570 -3.452 -4.118 20 H LEU 4 H LEU 4 6.806 -4.476 -0.841 21 HA LEU 4 HA LEU 4 9.273 -3.073 -0.498 22 HB2 LEU 4 HB2 LEU 4 7.657 -4.791 1.374 23 HB3 LEU 4 HB3 LEU 4 9.100 -3.900 1.852 24 HG LEU 4 HG LEU 4 6.741 -2.480 0.664 25 HD11 LEU 4 HD11 LEU 4 5.858 -2.114 2.885 26 HD12 LEU 4 HD12 LEU 4 7.130 -3.113 3.586 27 HD13 LEU 4 HD13 LEU 4 5.913 -3.842 2.539 28 HD21 LEU 4 HD21 LEU 4 8.629 -1.097 0.795 29 HD22 LEU 4 HD22 LEU 4 9.098 -1.736 2.371 30 HD23 LEU 4 HD23 LEU 4 7.681 -0.695 2.227 31 H ALA 5 H ALA 5 8.329 -6.490 -0.161 32 HA ALA 5 HA ALA 5 11.171 -7.206 -0.483 33 HB1 ALA 5 HB1 ALA 5 9.124 -8.916 0.904 34 HB2 ALA 5 HB2 ALA 5 10.881 -9.068 0.935 35 HB3 ALA 5 HB3 ALA 5 10.098 -7.716 1.754 36 H GLU 6 H GLU 6 7.884 -7.781 -1.484 37 HA GLU 6 HA GLU 6 8.103 -10.160 -2.870 38 HB2 GLU 6 HB2 GLU 6 6.406 -7.730 -3.173 39 HB3 GLU 6 HB3 GLU 6 6.396 -8.907 -4.479 40 HG2 GLU 6 HG2 GLU 6 6.052 -9.976 -1.752 41 HG3 GLU 6 HG3 GLU 6 4.730 -9.000 -2.390 42 H ALA 7 H ALA 7 8.642 -6.876 -4.143 43 HA ALA 7 HA ALA 7 9.352 -7.515 -6.731 44 HB1 ALA 7 HB1 ALA 7 10.322 -5.379 -6.895 45 HB2 ALA 7 HB2 ALA 7 9.040 -5.216 -5.695 46 HB3 ALA 7 HB3 ALA 7 10.722 -5.338 -5.178 47 H ILE 8 H ILE 8 11.463 -7.312 -3.878 48 HA ILE 8 HA ILE 8 13.852 -7.963 -5.245 49 HB ILE 8 HB ILE 8 13.248 -8.432 -2.324 50 HG12 ILE 8 HG12 ILE 8 12.747 -6.119 -2.911 51 HG13 ILE 8 HG13 ILE 8 14.228 -6.191 -1.962 52 HG21 ILE 8 HG21 ILE 8 15.906 -7.825 -3.585 53 HG22 ILE 8 HG22 ILE 8 15.573 -8.450 -1.971 54 HG23 ILE 8 HG23 ILE 8 15.311 -9.473 -3.383 55 HD11 ILE 8 HD11 ILE 8 14.127 -5.967 -4.960 56 HD12 ILE 8 HD12 ILE 8 14.345 -4.614 -3.849 57 HD13 ILE 8 HD13 ILE 8 15.561 -5.888 -3.936 58 H ALA 9 H ALA 9 11.381 -9.902 -3.665 59 HA ALA 9 HA ALA 9 12.865 -12.358 -3.900 60 HB1 ALA 9 HB1 ALA 9 10.100 -12.870 -3.508 61 HB2 ALA 9 HB2 ALA 9 11.422 -13.008 -2.348 62 HB3 ALA 9 HB3 ALA 9 10.551 -11.483 -2.514 63 H ASN 10 H ASN 10 11.451 -10.472 -6.153 64 HA ASN 10 HA ASN 10 10.106 -12.512 -7.692 65 HB2 ASN 10 HB2 ASN 10 9.680 -9.904 -7.598 66 HB3 ASN 10 HB3 ASN 10 10.899 -9.881 -8.870 67 HD21 ASN 10 HD21 ASN 10 7.678 -10.759 -8.004 68 HD22 ASN 10 HD22 ASN 10 7.142 -11.190 -9.589 69 H THR 11 H THR 11 13.299 -11.430 -7.297 70 HA THR 11 HA THR 11 14.107 -12.645 -9.857 71 HB THR 11 HB THR 11 14.756 -10.256 -9.550 72 HG1 THR 11 HG1 THR 11 17.052 -11.930 -9.540 73 HG21 THR 11 HG21 THR 11 15.914 -9.492 -7.775 74 HG22 THR 11 HG22 THR 11 16.933 -10.929 -7.697 75 HG23 THR 11 HG23 THR 11 15.324 -10.950 -6.978 76 H VAL 12 H VAL 12 14.473 -12.723 -6.400 77 HA VAL 12 HA VAL 12 16.798 -14.199 -6.096 78 HB VAL 12 HB VAL 12 15.953 -14.931 -3.959 79 HG11 VAL 12 HG11 VAL 12 16.513 -12.807 -3.494 80 HG12 VAL 12 HG12 VAL 12 15.612 -12.162 -4.867 81 HG13 VAL 12 HG13 VAL 12 14.773 -12.555 -3.366 82 HG21 VAL 12 HG21 VAL 12 13.302 -14.334 -5.192 83 HG22 VAL 12 HG22 VAL 12 13.813 -15.735 -4.251 84 HG23 VAL 12 HG23 VAL 12 13.495 -14.199 -3.445 85 H GLN 13 H GLN 13 13.682 -15.193 -7.254 86 HA GLN 13 HA GLN 13 13.684 -17.909 -6.796 87 HB2 GLN 13 HB2 GLN 13 12.680 -16.298 -9.132 88 HB3 GLN 13 HB3 GLN 13 12.447 -18.038 -9.038 89 HG2 GLN 13 HG2 GLN 13 11.593 -17.101 -6.574 90 HG3 GLN 13 HG3 GLN 13 11.008 -15.904 -7.729 91 HE21 GLN 13 HE21 GLN 13 10.205 -17.126 -9.844 92 HE22 GLN 13 HE22 GLN 13 9.040 -18.359 -9.522 93 H ALA 14 H ALA 14 15.631 -16.066 -9.011 94 HA ALA 14 HA ALA 14 16.917 -18.568 -9.894 95 HB1 ALA 14 HB1 ALA 14 17.349 -16.439 -11.769 96 HB2 ALA 14 HB2 ALA 14 16.626 -18.027 -12.027 97 HB3 ALA 14 HB3 ALA 14 15.621 -16.674 -11.506 98 H ALA 15 H ALA 15 17.282 -15.844 -8.091 99 HA ALA 15 HA ALA 15 20.143 -15.551 -8.695 100 HB1 ALA 15 HB1 ALA 15 18.349 -13.594 -8.453 101 HB2 ALA 15 HB2 ALA 15 18.827 -13.736 -6.761 102 HB3 ALA 15 HB3 ALA 15 20.040 -13.395 -7.995 103 H GLN 16 H GLN 16 17.954 -15.773 -5.887 104 HA GLN 16 HA GLN 16 18.215 -16.699 -3.827 105 HB2 GLN 16 HB2 GLN 16 20.572 -18.184 -4.987 106 HB3 GLN 16 HB3 GLN 16 19.606 -18.639 -3.590 107 HG2 GLN 16 HG2 GLN 16 17.653 -18.898 -5.111 108 HG3 GLN 16 HG3 GLN 16 18.740 -18.618 -6.470 109 HE21 GLN 16 HE21 GLN 16 18.662 -20.575 -7.419 110 HE22 GLN 16 HE22 GLN 16 19.182 -22.044 -6.673 111 H GLN 17 H GLN 17 19.461 -14.210 -4.384 112 HA GLN 17 HA GLN 17 20.857 -12.709 -3.400 113 HB2 GLN 17 HB2 GLN 17 21.594 -14.820 -1.387 114 HB3 GLN 17 HB3 GLN 17 21.551 -13.075 -1.173 115 HG2 GLN 17 HG2 GLN 17 19.131 -13.092 -1.301 116 HG3 GLN 17 HG3 GLN 17 19.143 -14.831 -1.594 117 HE21 GLN 17 HE21 GLN 17 18.031 -15.445 0.194 118 HE22 GLN 17 HE22 GLN 17 18.617 -15.247 1.807 119 H HIS 18 H HIS 18 21.844 -14.302 -5.521 120 HA HIS 18 HA HIS 18 24.636 -14.809 -4.780 121 HB2 HIS 18 HB2 HIS 18 23.688 -16.654 -5.951 122 HB3 HIS 18 HB3 HIS 18 22.990 -15.604 -7.181 123 HD1 HIS 18 HD1 HIS 18 24.316 -15.355 -9.262 124 HD2 HIS 18 HD2 HIS 18 26.642 -16.678 -6.084 125 HE1 HIS 18 HE1 HIS 18 26.581 -15.838 -10.242 126 H ASP 19 H ASP 19 23.164 -13.651 -7.802 127 HA ASP 19 HA ASP 19 25.345 -12.042 -8.520 128 HB2 ASP 19 HB2 ASP 19 24.091 -11.395 -10.359 129 HB3 ASP 19 HB3 ASP 19 23.318 -12.917 -9.926 130 H SER 20 H SER 20 22.452 -11.353 -6.656 131 HA SER 20 HA SER 20 22.504 -8.578 -6.646 132 HB2 SER 20 HB2 SER 20 21.317 -8.742 -4.467 133 HB3 SER 20 HB3 SER 20 20.648 -9.827 -5.686 134 HG SER 20 HG SER 20 22.583 -10.645 -3.787 135 H VAL 21 H VAL 21 24.586 -10.846 -5.061 136 HA VAL 21 HA VAL 21 25.612 -9.245 -3.002 137 HB VAL 21 HB VAL 21 27.017 -11.410 -4.574 138 HG11 VAL 21 HG11 VAL 21 27.695 -10.122 -1.934 139 HG12 VAL 21 HG12 VAL 21 28.448 -11.594 -2.550 140 HG13 VAL 21 HG13 VAL 21 28.644 -10.072 -3.420 141 HG21 VAL 21 HG21 VAL 21 24.949 -12.168 -3.507 142 HG22 VAL 21 HG22 VAL 21 26.367 -12.877 -2.734 143 HG23 VAL 21 HG23 VAL 21 25.516 -11.541 -1.959 144 H LYS 22 H LYS 22 26.090 -9.134 -6.409 145 HA LYS 22 HA LYS 22 28.089 -7.010 -6.038 146 HB2 LYS 22 HB2 LYS 22 28.916 -9.341 -6.940 147 HB3 LYS 22 HB3 LYS 22 28.220 -8.772 -8.452 148 HG2 LYS 22 HG2 LYS 22 30.413 -8.105 -8.643 149 HG3 LYS 22 HG3 LYS 22 29.639 -6.648 -8.016 150 HD2 LYS 22 HD2 LYS 22 30.276 -7.618 -5.693 151 HD3 LYS 22 HD3 LYS 22 31.416 -8.605 -6.609 152 HE2 LYS 22 HE2 LYS 22 31.261 -5.592 -6.653 153 HE3 LYS 22 HE3 LYS 22 32.453 -6.546 -5.772 154 HZ1 LYS 22 HZ1 LYS 22 32.209 -6.086 -8.659 155 HZ2 LYS 22 HZ2 LYS 22 32.884 -7.542 -8.127 156 HZ3 LYS 22 HZ3 LYS 22 33.589 -6.071 -7.680 157 H LEU 23 H LEU 23 25.066 -7.622 -6.924 158 HA LEU 23 HA LEU 23 25.049 -5.961 -9.332 159 HB2 LEU 23 HB2 LEU 23 23.714 -8.171 -8.955 160 HB3 LEU 23 HB3 LEU 23 22.598 -7.125 -8.080 161 HG LEU 23 HG LEU 23 21.876 -7.526 -10.386 162 HD11 LEU 23 HD11 LEU 23 21.106 -5.412 -10.693 163 HD12 LEU 23 HD12 LEU 23 22.685 -4.676 -10.424 164 HD13 LEU 23 HD13 LEU 23 21.728 -5.235 -9.052 165 HD21 LEU 23 HD21 LEU 23 24.442 -7.525 -11.098 166 HD22 LEU 23 HD22 LEU 23 24.058 -5.846 -11.479 167 HD23 LEU 23 HD23 LEU 23 23.144 -7.154 -12.232 168 H GLY 24 H GLY 24 23.874 -6.010 -6.005 169 HA2 GLY 24 HA2 GLY 24 23.957 -3.238 -5.679 170 HA3 GLY 24 HA3 GLY 24 22.315 -3.659 -6.142 171 H THR 25 H THR 25 24.204 -3.034 -3.567 172 HA THR 25 HA THR 25 23.612 -5.027 -1.696 173 HB THR 25 HB THR 25 25.291 -3.343 -1.222 174 HG1 THR 25 HG1 THR 25 23.911 -4.313 0.518 175 HG21 THR 25 HG21 THR 25 22.963 -1.433 -1.305 176 HG22 THR 25 HG22 THR 25 24.441 -1.390 -2.267 177 HG23 THR 25 HG23 THR 25 24.501 -1.034 -0.541 178 H SER 26 H SER 26 21.605 -2.640 -3.111 179 HA SER 26 HA SER 26 19.705 -2.333 -1.034 180 HB2 SER 26 HB2 SER 26 19.884 -0.768 -2.936 181 HB3 SER 26 HB3 SER 26 19.315 -2.034 -4.023 182 HG SER 26 HG SER 26 17.352 -1.607 -3.428 183 H ILE 27 H ILE 27 20.430 -4.945 -3.046 184 HA ILE 27 HA ILE 27 17.742 -6.091 -2.821 185 HB ILE 27 HB ILE 27 20.137 -7.124 -4.345 186 HG12 ILE 27 HG12 ILE 27 18.310 -6.480 -6.230 187 HG13 ILE 27 HG13 ILE 27 17.938 -5.257 -5.021 188 HG21 ILE 27 HG21 ILE 27 19.016 -9.013 -4.661 189 HG22 ILE 27 HG22 ILE 27 17.803 -8.444 -3.516 190 HG23 ILE 27 HG23 ILE 27 17.606 -8.125 -5.239 191 HD11 ILE 27 HD11 ILE 27 19.529 -4.459 -6.692 192 HD12 ILE 27 HD12 ILE 27 20.230 -4.478 -5.074 193 HD13 ILE 27 HD13 ILE 27 20.649 -5.740 -6.232 194 H VAL 28 H VAL 28 21.101 -6.685 -1.915 195 HA VAL 28 HA VAL 28 20.524 -9.169 -0.592 196 HB VAL 28 HB VAL 28 22.818 -9.155 0.131 197 HG11 VAL 28 HG11 VAL 28 23.226 -7.949 -2.526 198 HG12 VAL 28 HG12 VAL 28 23.703 -9.532 -1.910 199 HG13 VAL 28 HG13 VAL 28 22.047 -9.258 -2.449 200 HG21 VAL 28 HG21 VAL 28 24.033 -6.906 -0.864 201 HG22 VAL 28 HG22 VAL 28 22.527 -6.269 -0.201 202 HG23 VAL 28 HG23 VAL 28 23.626 -7.187 0.829 203 H ASP 29 H ASP 29 20.346 -5.854 0.244 204 HA ASP 29 HA ASP 29 20.481 -6.367 3.109 205 HB2 ASP 29 HB2 ASP 29 20.088 -3.818 1.531 206 HB3 ASP 29 HB3 ASP 29 20.125 -3.893 3.290 207 H ILE 30 H ILE 30 18.245 -7.029 0.965 208 HA ILE 30 HA ILE 30 16.015 -6.140 2.678 209 HB ILE 30 HB ILE 30 15.971 -6.642 -0.300 210 HG12 ILE 30 HG12 ILE 30 17.015 -4.502 0.379 211 HG13 ILE 30 HG13 ILE 30 15.505 -4.260 -0.493 212 HG21 ILE 30 HG21 ILE 30 13.809 -7.089 -0.020 213 HG22 ILE 30 HG22 ILE 30 13.868 -6.637 1.683 214 HG23 ILE 30 HG23 ILE 30 13.606 -5.402 0.453 215 HD11 ILE 30 HD11 ILE 30 15.051 -4.418 2.347 216 HD12 ILE 30 HD12 ILE 30 16.225 -3.164 1.948 217 HD13 ILE 30 HD13 ILE 30 14.627 -3.144 1.204 218 H VAL 31 H VAL 31 17.467 -8.755 0.865 219 HA VAL 31 HA VAL 31 15.333 -10.614 1.439 220 HB VAL 31 HB VAL 31 16.637 -10.820 -0.636 221 HG11 VAL 31 HG11 VAL 31 18.963 -11.907 0.874 222 HG12 VAL 31 HG12 VAL 31 18.898 -11.188 -0.737 223 HG13 VAL 31 HG13 VAL 31 18.807 -10.159 0.694 224 HG21 VAL 31 HG21 VAL 31 17.026 -13.234 -0.525 225 HG22 VAL 31 HG22 VAL 31 16.964 -13.165 1.236 226 HG23 VAL 31 HG23 VAL 31 15.526 -12.788 0.288 227 H ALA 32 H ALA 32 18.260 -9.579 2.933 228 HA ALA 32 HA ALA 32 18.042 -11.776 4.887 229 HB1 ALA 32 HB1 ALA 32 20.545 -10.210 4.303 230 HB2 ALA 32 HB2 ALA 32 20.386 -11.688 5.252 231 HB3 ALA 32 HB3 ALA 32 20.143 -11.731 3.506 232 H ASN 33 H ASN 33 18.596 -8.329 4.411 233 HA ASN 33 HA ASN 33 18.539 -7.845 7.284 234 HB2 ASN 33 HB2 ASN 33 19.433 -6.369 4.910 235 HB3 ASN 33 HB3 ASN 33 18.598 -5.368 6.094 236 HD21 ASN 33 HD21 ASN 33 21.491 -6.870 5.250 237 HD22 ASN 33 HD22 ASN 33 22.363 -6.570 6.711 238 H GLY 34 H GLY 34 16.726 -6.840 4.385 239 HA2 GLY 34 HA2 GLY 34 14.680 -5.528 5.892 240 HA3 GLY 34 HA3 GLY 34 14.630 -5.905 4.176 241 H VAL 35 H VAL 35 15.268 -8.797 5.066 242 HA VAL 35 HA VAL 35 12.650 -9.788 4.877 243 HB VAL 35 HB VAL 35 14.727 -11.064 4.308 244 HG11 VAL 35 HG11 VAL 35 15.112 -12.226 6.912 245 HG12 VAL 35 HG12 VAL 35 16.295 -11.500 5.822 246 HG13 VAL 35 HG13 VAL 35 15.404 -10.487 6.958 247 HG21 VAL 35 HG21 VAL 35 13.856 -13.233 5.060 248 HG22 VAL 35 HG22 VAL 35 12.795 -12.405 6.200 249 HG23 VAL 35 HG23 VAL 35 12.572 -12.181 4.465 250 H GLY 36 H GLY 36 14.392 -8.568 7.556 251 HA2 GLY 36 HA2 GLY 36 13.057 -10.050 9.607 252 HA3 GLY 36 HA3 GLY 36 14.003 -8.586 9.829 253 H LEU 37 H LEU 37 11.933 -7.709 7.523 254 HA LEU 37 HA LEU 37 10.127 -6.472 9.449 255 HB2 LEU 37 HB2 LEU 37 10.784 -5.974 6.569 256 HB3 LEU 37 HB3 LEU 37 9.341 -5.274 7.300 257 HG LEU 37 HG LEU 37 12.099 -4.822 8.416 258 HD11 LEU 37 HD11 LEU 37 10.634 -3.302 6.276 259 HD12 LEU 37 HD12 LEU 37 12.259 -3.983 6.214 260 HD13 LEU 37 HD13 LEU 37 11.925 -2.594 7.246 261 HD21 LEU 37 HD21 LEU 37 9.616 -3.140 8.652 262 HD22 LEU 37 HD22 LEU 37 11.105 -3.024 9.590 263 HD23 LEU 37 HD23 LEU 37 10.032 -4.408 9.805 264 H LEU 38 H LEU 38 10.126 -8.812 6.863 265 HA LEU 38 HA LEU 38 7.213 -9.123 7.144 266 HB2 LEU 38 HB2 LEU 38 7.066 -9.660 4.963 267 HB3 LEU 38 HB3 LEU 38 8.570 -8.745 4.870 268 HG LEU 38 HG LEU 38 8.364 -11.751 5.051 269 HD11 LEU 38 HD11 LEU 38 8.154 -9.933 2.823 270 HD12 LEU 38 HD12 LEU 38 7.945 -11.684 2.872 271 HD13 LEU 38 HD13 LEU 38 9.552 -10.994 2.650 272 HD21 LEU 38 HD21 LEU 38 10.845 -11.226 4.150 273 HD22 LEU 38 HD22 LEU 38 10.453 -11.467 5.853 274 HD23 LEU 38 HD23 LEU 38 10.598 -9.833 5.203 275 H GLY 39 H GLY 39 10.097 -10.445 8.136 276 HA2 GLY 39 HA2 GLY 39 9.717 -13.207 7.897 277 HA3 GLY 39 HA3 GLY 39 10.654 -12.421 9.160 278 H LYS 40 H LYS 40 8.340 -10.908 10.149 279 HA LYS 40 HA LYS 40 7.250 -13.003 11.836 280 HB2 LYS 40 HB2 LYS 40 7.190 -9.999 11.903 281 HB3 LYS 40 HB3 LYS 40 6.114 -10.941 12.927 282 HG2 LYS 40 HG2 LYS 40 8.238 -12.139 13.720 283 HG3 LYS 40 HG3 LYS 40 9.104 -10.788 12.985 284 HD2 LYS 40 HD2 LYS 40 8.807 -10.216 15.261 285 HD3 LYS 40 HD3 LYS 40 7.624 -9.263 14.362 286 HE2 LYS 40 HE2 LYS 40 5.866 -10.798 14.959 287 HE3 LYS 40 HE3 LYS 40 7.023 -11.886 15.724 288 HZ1 LYS 40 HZ1 LYS 40 7.475 -9.558 17.004 289 HZ2 LYS 40 HZ2 LYS 40 6.478 -10.798 17.580 290 HZ3 LYS 40 HZ3 LYS 40 5.804 -9.487 16.750 291 H LEU 41 H LEU 41 6.231 -10.912 9.244 292 HA LEU 41 HA LEU 41 3.434 -11.195 9.599 293 HB2 LEU 41 HB2 LEU 41 5.244 -10.227 7.471 294 HB3 LEU 41 HB3 LEU 41 3.632 -10.728 6.965 295 HG LEU 41 HG LEU 41 3.425 -8.997 9.240 296 HD11 LEU 41 HD11 LEU 41 4.522 -7.074 8.616 297 HD12 LEU 41 HD12 LEU 41 4.681 -7.579 6.934 298 HD13 LEU 41 HD13 LEU 41 5.701 -8.309 8.174 299 HD21 LEU 41 HD21 LEU 41 1.699 -9.485 7.528 300 HD22 LEU 41 HD22 LEU 41 2.646 -8.564 6.359 301 HD23 LEU 41 HD23 LEU 41 1.970 -7.760 7.777 302 H PHE 42 H PHE 42 5.824 -12.974 7.694 303 HA PHE 42 HA PHE 42 3.751 -14.963 7.055 304 HB2 PHE 42 HB2 PHE 42 6.385 -14.417 5.671 305 HB3 PHE 42 HB3 PHE 42 5.249 -15.683 5.218 306 HD1 PHE 42 HD1 PHE 42 3.445 -15.231 3.799 307 HD2 PHE 42 HD2 PHE 42 5.642 -12.014 5.513 308 HE1 PHE 42 HE1 PHE 42 2.265 -13.648 2.331 309 HE2 PHE 42 HE2 PHE 42 4.465 -10.425 4.049 310 HZ PHE 42 HZ PHE 42 2.773 -11.241 2.456 311 H GLY 43 H GLY 43 7.303 -15.109 7.259 312 HA2 GLY 43 HA2 GLY 43 8.396 -16.232 9.127 313 HA3 GLY 43 HA3 GLY 43 7.002 -17.299 9.216 314 H PHE 44 H PHE 44 9.556 -16.306 6.942 315 HA PHE 44 HA PHE 44 9.356 -18.640 5.346 316 HB2 PHE 44 HB2 PHE 44 11.394 -16.453 5.621 317 HB3 PHE 44 HB3 PHE 44 11.739 -17.866 4.629 318 HD1 PHE 44 HD1 PHE 44 10.431 -18.317 2.612 319 HD2 PHE 44 HD2 PHE 44 9.820 -14.797 4.925 320 HE1 PHE 44 HE1 PHE 44 9.209 -17.299 0.734 321 HE2 PHE 44 HE2 PHE 44 8.596 -13.774 3.052 322 HZ PHE 44 HZ PHE 44 8.289 -15.025 0.953 Start of MODEL 14 1 H MET 1 H MET 1 4.184 -6.431 -1.283 2 HA MET 1 HA MET 1 1.612 -5.740 -2.514 3 HB2 MET 1 HB2 MET 1 1.518 -6.706 -0.260 4 HB3 MET 1 HB3 MET 1 2.553 -5.418 0.342 5 HG2 MET 1 HG2 MET 1 0.284 -4.943 0.932 6 HG3 MET 1 HG3 MET 1 0.819 -3.780 -0.279 7 HE1 MET 1 HE1 MET 1 -1.995 -6.284 0.666 8 HE2 MET 1 HE2 MET 1 -2.107 -4.526 0.735 9 HE3 MET 1 HE3 MET 1 -3.098 -5.428 -0.413 10 H THR 2 H THR 2 4.370 -4.247 -0.844 11 HA THR 2 HA THR 2 3.614 -1.676 -2.074 12 HB THR 2 HB THR 2 5.111 -0.701 -0.212 13 HG1 THR 2 HG1 THR 2 5.827 -2.909 0.400 14 HG21 THR 2 HG21 THR 2 2.359 -1.817 0.078 15 HG22 THR 2 HG22 THR 2 2.893 -0.137 0.024 16 HG23 THR 2 HG23 THR 2 3.139 -1.094 1.484 17 H GLY 3 H GLY 3 5.301 -3.909 -3.144 18 HA2 GLY 3 HA2 GLY 3 7.285 -4.184 -4.270 19 HA3 GLY 3 HA3 GLY 3 7.214 -2.444 -4.499 20 H LEU 4 H LEU 4 7.411 -3.845 -1.315 21 HA LEU 4 HA LEU 4 10.018 -2.573 -0.966 22 HB2 LEU 4 HB2 LEU 4 7.920 -3.581 0.923 23 HB3 LEU 4 HB3 LEU 4 9.551 -3.215 1.482 24 HG LEU 4 HG LEU 4 7.770 -1.209 0.109 25 HD11 LEU 4 HD11 LEU 4 7.150 -0.358 2.224 26 HD12 LEU 4 HD12 LEU 4 8.283 -1.415 3.065 27 HD13 LEU 4 HD13 LEU 4 6.854 -2.095 2.287 28 HD21 LEU 4 HD21 LEU 4 10.518 -1.231 1.080 29 HD22 LEU 4 HD22 LEU 4 9.561 0.101 1.728 30 HD23 LEU 4 HD23 LEU 4 9.711 -0.111 -0.018 31 H ALA 5 H ALA 5 8.464 -5.717 -0.832 32 HA ALA 5 HA ALA 5 11.128 -6.947 -0.573 33 HB1 ALA 5 HB1 ALA 5 8.635 -8.214 0.523 34 HB2 ALA 5 HB2 ALA 5 10.318 -8.627 0.853 35 HB3 ALA 5 HB3 ALA 5 9.639 -7.127 1.484 36 H GLU 6 H GLU 6 7.854 -7.197 -1.858 37 HA GLU 6 HA GLU 6 8.005 -9.593 -3.219 38 HB2 GLU 6 HB2 GLU 6 6.528 -7.040 -3.720 39 HB3 GLU 6 HB3 GLU 6 6.474 -8.314 -4.931 40 HG2 GLU 6 HG2 GLU 6 4.601 -8.240 -3.214 41 HG3 GLU 6 HG3 GLU 6 5.381 -9.794 -3.502 42 H ALA 7 H ALA 7 9.131 -6.400 -4.246 43 HA ALA 7 HA ALA 7 9.889 -7.094 -6.860 44 HB1 ALA 7 HB1 ALA 7 10.625 -4.974 -7.019 45 HB2 ALA 7 HB2 ALA 7 9.803 -4.779 -5.470 46 HB3 ALA 7 HB3 ALA 7 11.542 -5.067 -5.515 47 H ILE 8 H ILE 8 11.749 -7.051 -3.834 48 HA ILE 8 HA ILE 8 14.198 -7.868 -4.989 49 HB ILE 8 HB ILE 8 13.301 -8.305 -2.140 50 HG12 ILE 8 HG12 ILE 8 13.021 -5.962 -2.720 51 HG13 ILE 8 HG13 ILE 8 14.426 -6.143 -1.675 52 HG21 ILE 8 HG21 ILE 8 16.099 -7.886 -3.148 53 HG22 ILE 8 HG22 ILE 8 15.576 -8.497 -1.580 54 HG23 ILE 8 HG23 ILE 8 15.372 -9.488 -3.024 55 HD11 ILE 8 HD11 ILE 8 15.902 -5.944 -3.573 56 HD12 ILE 8 HD12 ILE 8 14.522 -5.869 -4.669 57 HD13 ILE 8 HD13 ILE 8 14.802 -4.567 -3.513 58 H ALA 9 H ALA 9 11.467 -9.630 -3.641 59 HA ALA 9 HA ALA 9 12.791 -12.186 -3.803 60 HB1 ALA 9 HB1 ALA 9 9.946 -12.431 -3.590 61 HB2 ALA 9 HB2 ALA 9 11.190 -12.801 -2.395 62 HB3 ALA 9 HB3 ALA 9 10.519 -11.173 -2.494 63 H ASN 10 H ASN 10 11.644 -10.181 -6.109 64 HA ASN 10 HA ASN 10 10.280 -12.130 -7.756 65 HB2 ASN 10 HB2 ASN 10 9.895 -9.542 -7.640 66 HB3 ASN 10 HB3 ASN 10 11.243 -9.477 -8.772 67 HD21 ASN 10 HD21 ASN 10 10.951 -10.106 -10.856 68 HD22 ASN 10 HD22 ASN 10 9.416 -10.544 -11.517 69 H THR 11 H THR 11 13.485 -11.227 -7.148 70 HA THR 11 HA THR 11 14.381 -12.409 -9.695 71 HB THR 11 HB THR 11 15.109 -10.055 -9.302 72 HG1 THR 11 HG1 THR 11 17.041 -12.134 -9.446 73 HG21 THR 11 HG21 THR 11 15.528 -10.847 -6.718 74 HG22 THR 11 HG22 THR 11 16.178 -9.377 -7.443 75 HG23 THR 11 HG23 THR 11 17.167 -10.835 -7.367 76 H VAL 12 H VAL 12 14.484 -12.620 -6.241 77 HA VAL 12 HA VAL 12 16.752 -14.189 -5.844 78 HB VAL 12 HB VAL 12 15.754 -14.925 -3.769 79 HG11 VAL 12 HG11 VAL 12 15.715 -12.139 -4.625 80 HG12 VAL 12 HG12 VAL 12 14.665 -12.459 -3.243 81 HG13 VAL 12 HG13 VAL 12 16.379 -12.867 -3.163 82 HG21 VAL 12 HG21 VAL 12 13.327 -14.055 -3.356 83 HG22 VAL 12 HG22 VAL 12 13.211 -14.123 -5.115 84 HG23 VAL 12 HG23 VAL 12 13.585 -15.583 -4.199 85 H GLN 13 H GLN 13 13.717 -14.984 -7.274 86 HA GLN 13 HA GLN 13 13.539 -17.716 -6.840 87 HB2 GLN 13 HB2 GLN 13 12.743 -16.007 -9.187 88 HB3 GLN 13 HB3 GLN 13 12.425 -17.736 -9.151 89 HG2 GLN 13 HG2 GLN 13 11.511 -16.689 -6.703 90 HG3 GLN 13 HG3 GLN 13 10.943 -15.607 -7.972 91 HE21 GLN 13 HE21 GLN 13 10.291 -18.377 -6.279 92 HE22 GLN 13 HE22 GLN 13 9.124 -19.083 -7.340 93 H ALA 14 H ALA 14 15.431 -15.946 -9.244 94 HA ALA 14 HA ALA 14 16.684 -18.480 -10.063 95 HB1 ALA 14 HB1 ALA 14 16.582 -17.753 -12.157 96 HB2 ALA 14 HB2 ALA 14 15.667 -16.357 -11.583 97 HB3 ALA 14 HB3 ALA 14 17.422 -16.262 -11.729 98 H ALA 15 H ALA 15 17.324 -15.225 -8.896 99 HA ALA 15 HA ALA 15 20.163 -15.408 -9.044 100 HB1 ALA 15 HB1 ALA 15 18.492 -13.345 -8.747 101 HB2 ALA 15 HB2 ALA 15 18.940 -13.590 -7.058 102 HB3 ALA 15 HB3 ALA 15 20.187 -13.281 -8.265 103 H GLN 16 H GLN 16 17.848 -15.711 -6.356 104 HA GLN 16 HA GLN 16 17.989 -16.744 -4.335 105 HB2 GLN 16 HB2 GLN 16 20.332 -18.241 -5.516 106 HB3 GLN 16 HB3 GLN 16 19.348 -18.731 -4.144 107 HG2 GLN 16 HG2 GLN 16 17.419 -18.991 -5.602 108 HG3 GLN 16 HG3 GLN 16 18.382 -18.466 -6.982 109 HE21 GLN 16 HE21 GLN 16 17.268 -20.741 -7.415 110 HE22 GLN 16 HE22 GLN 16 18.338 -22.081 -7.207 111 H GLN 17 H GLN 17 19.331 -14.272 -4.682 112 HA GLN 17 HA GLN 17 20.727 -12.878 -3.548 113 HB2 GLN 17 HB2 GLN 17 21.303 -15.140 -1.646 114 HB3 GLN 17 HB3 GLN 17 21.328 -13.411 -1.323 115 HG2 GLN 17 HG2 GLN 17 18.910 -13.316 -1.564 116 HG3 GLN 17 HG3 GLN 17 18.871 -15.040 -1.931 117 HE21 GLN 17 HE21 GLN 17 17.341 -14.950 -0.083 118 HE22 GLN 17 HE22 GLN 17 17.992 -15.126 1.507 119 H HIS 18 H HIS 18 21.766 -14.311 -5.731 120 HA HIS 18 HA HIS 18 24.529 -14.879 -4.898 121 HB2 HIS 18 HB2 HIS 18 23.602 -16.749 -6.062 122 HB3 HIS 18 HB3 HIS 18 22.964 -15.719 -7.339 123 HD1 HIS 18 HD1 HIS 18 24.384 -15.492 -9.362 124 HD2 HIS 18 HD2 HIS 18 26.553 -16.812 -6.074 125 HE1 HIS 18 HE1 HIS 18 26.684 -16.011 -10.238 126 H ASP 19 H ASP 19 23.124 -13.789 -7.975 127 HA ASP 19 HA ASP 19 25.309 -12.162 -8.653 128 HB2 ASP 19 HB2 ASP 19 23.394 -13.104 -10.136 129 HB3 ASP 19 HB3 ASP 19 22.537 -11.634 -9.681 130 H SER 20 H SER 20 22.483 -11.561 -6.727 131 HA SER 20 HA SER 20 22.454 -8.749 -6.829 132 HB2 SER 20 HB2 SER 20 21.370 -10.809 -4.955 133 HB3 SER 20 HB3 SER 20 21.391 -9.125 -4.431 134 HG SER 20 HG SER 20 19.853 -10.363 -6.362 135 H VAL 21 H VAL 21 24.616 -10.932 -5.348 136 HA VAL 21 HA VAL 21 25.499 -9.306 -3.190 137 HB VAL 21 HB VAL 21 26.950 -11.528 -4.635 138 HG11 VAL 21 HG11 VAL 21 28.049 -11.592 -2.237 139 HG12 VAL 21 HG12 VAL 21 28.670 -10.531 -3.503 140 HG13 VAL 21 HG13 VAL 21 27.614 -9.883 -2.247 141 HG21 VAL 21 HG21 VAL 21 24.939 -12.394 -3.707 142 HG22 VAL 21 HG22 VAL 21 26.246 -12.850 -2.615 143 HG23 VAL 21 HG23 VAL 21 25.178 -11.510 -2.200 144 H LYS 22 H LYS 22 26.167 -9.365 -6.580 145 HA LYS 22 HA LYS 22 28.151 -7.226 -6.196 146 HB2 LYS 22 HB2 LYS 22 28.656 -9.768 -7.287 147 HB3 LYS 22 HB3 LYS 22 28.602 -8.665 -8.656 148 HG2 LYS 22 HG2 LYS 22 30.156 -7.226 -7.045 149 HG3 LYS 22 HG3 LYS 22 30.537 -8.835 -6.425 150 HD2 LYS 22 HD2 LYS 22 31.965 -9.066 -8.117 151 HD3 LYS 22 HD3 LYS 22 30.579 -9.083 -9.210 152 HE2 LYS 22 HE2 LYS 22 31.905 -7.383 -10.072 153 HE3 LYS 22 HE3 LYS 22 30.735 -6.510 -9.083 154 HZ1 LYS 22 HZ1 LYS 22 32.560 -6.794 -7.271 155 HZ2 LYS 22 HZ2 LYS 22 32.691 -5.559 -8.419 156 HZ3 LYS 22 HZ3 LYS 22 33.592 -6.979 -8.598 157 H LEU 23 H LEU 23 25.159 -7.714 -7.090 158 HA LEU 23 HA LEU 23 25.294 -6.049 -9.514 159 HB2 LEU 23 HB2 LEU 23 24.173 -8.217 -9.781 160 HB3 LEU 23 HB3 LEU 23 23.038 -7.778 -8.507 161 HG LEU 23 HG LEU 23 22.280 -7.591 -10.958 162 HD11 LEU 23 HD11 LEU 23 21.691 -6.091 -8.617 163 HD12 LEU 23 HD12 LEU 23 20.625 -6.513 -9.957 164 HD13 LEU 23 HD13 LEU 23 21.563 -5.021 -10.014 165 HD21 LEU 23 HD21 LEU 23 24.502 -6.189 -11.355 166 HD22 LEU 23 HD22 LEU 23 23.433 -4.858 -10.910 167 HD23 LEU 23 HD23 LEU 23 23.027 -5.896 -12.278 168 H GLY 24 H GLY 24 24.119 -6.248 -6.253 169 HA2 GLY 24 HA2 GLY 24 23.690 -3.467 -6.060 170 HA3 GLY 24 HA3 GLY 24 22.143 -4.269 -6.289 171 H THR 25 H THR 25 24.197 -3.103 -4.016 172 HA THR 25 HA THR 25 24.066 -5.101 -2.003 173 HB THR 25 HB THR 25 25.739 -3.280 -1.971 174 HG1 THR 25 HG1 THR 25 24.007 -3.366 0.296 175 HG21 THR 25 HG21 THR 25 23.535 -1.467 -1.012 176 HG22 THR 25 HG22 THR 25 24.050 -1.516 -2.698 177 HG23 THR 25 HG23 THR 25 25.193 -1.045 -1.441 178 H SER 26 H SER 26 21.718 -3.067 -3.290 179 HA SER 26 HA SER 26 20.182 -2.646 -0.899 180 HB2 SER 26 HB2 SER 26 19.031 -2.472 -3.668 181 HB3 SER 26 HB3 SER 26 18.656 -1.499 -2.246 182 HG SER 26 HG SER 26 20.279 -0.859 -4.167 183 H ILE 27 H ILE 27 20.796 -5.341 -2.692 184 HA ILE 27 HA ILE 27 18.147 -6.515 -2.174 185 HB ILE 27 HB ILE 27 20.328 -7.481 -4.027 186 HG12 ILE 27 HG12 ILE 27 18.230 -7.028 -5.631 187 HG13 ILE 27 HG13 ILE 27 17.877 -5.835 -4.386 188 HG21 ILE 27 HG21 ILE 27 17.910 -8.751 -2.967 189 HG22 ILE 27 HG22 ILE 27 18.073 -8.834 -4.720 190 HG23 ILE 27 HG23 ILE 27 19.350 -9.471 -3.686 191 HD11 ILE 27 HD11 ILE 27 20.370 -5.156 -4.748 192 HD12 ILE 27 HD12 ILE 27 20.148 -5.962 -6.301 193 HD13 ILE 27 HD13 ILE 27 19.117 -4.602 -5.858 194 H VAL 28 H VAL 28 21.488 -6.635 -1.337 195 HA VAL 28 HA VAL 28 21.285 -9.246 -0.074 196 HB VAL 28 HB VAL 28 23.622 -9.007 0.475 197 HG11 VAL 28 HG11 VAL 28 23.825 -7.879 -2.209 198 HG12 VAL 28 HG12 VAL 28 24.290 -9.472 -1.609 199 HG13 VAL 28 HG13 VAL 28 22.618 -9.157 -2.072 200 HG21 VAL 28 HG21 VAL 28 24.434 -6.631 -0.750 201 HG22 VAL 28 HG22 VAL 28 23.034 -6.197 0.231 202 HG23 VAL 28 HG23 VAL 28 24.421 -6.992 0.977 203 H ASP 29 H ASP 29 20.026 -6.465 0.761 204 HA ASP 29 HA ASP 29 20.526 -6.889 3.626 205 HB2 ASP 29 HB2 ASP 29 20.231 -4.160 2.358 206 HB3 ASP 29 HB3 ASP 29 20.590 -4.515 4.046 207 H ILE 30 H ILE 30 18.345 -7.188 1.330 208 HA ILE 30 HA ILE 30 16.120 -6.201 2.993 209 HB ILE 30 HB ILE 30 16.160 -6.610 0.000 210 HG12 ILE 30 HG12 ILE 30 17.391 -4.609 0.744 211 HG13 ILE 30 HG13 ILE 30 15.922 -4.178 -0.124 212 HG21 ILE 30 HG21 ILE 30 13.956 -6.865 0.219 213 HG22 ILE 30 HG22 ILE 30 13.991 -6.393 1.917 214 HG23 ILE 30 HG23 ILE 30 13.907 -5.159 0.660 215 HD11 ILE 30 HD11 ILE 30 15.360 -4.373 2.671 216 HD12 ILE 30 HD12 ILE 30 16.745 -3.313 2.407 217 HD13 ILE 30 HD13 ILE 30 15.216 -2.984 1.593 218 H VAL 31 H VAL 31 17.509 -8.891 1.292 219 HA VAL 31 HA VAL 31 15.178 -10.575 1.594 220 HB VAL 31 HB VAL 31 16.628 -12.370 0.697 221 HG11 VAL 31 HG11 VAL 31 16.920 -9.906 -0.999 222 HG12 VAL 31 HG12 VAL 31 16.663 -11.574 -1.517 223 HG13 VAL 31 HG13 VAL 31 15.361 -10.684 -0.727 224 HG21 VAL 31 HG21 VAL 31 18.841 -11.034 -0.281 225 HG22 VAL 31 HG22 VAL 31 18.698 -10.448 1.376 226 HG23 VAL 31 HG23 VAL 31 18.822 -12.179 1.060 227 H ALA 32 H ALA 32 18.058 -9.840 3.360 228 HA ALA 32 HA ALA 32 17.463 -12.028 5.243 229 HB1 ALA 32 HB1 ALA 32 20.102 -10.659 4.735 230 HB2 ALA 32 HB2 ALA 32 19.813 -11.922 5.932 231 HB3 ALA 32 HB3 ALA 32 19.651 -12.282 4.213 232 H ASN 33 H ASN 33 18.398 -8.632 4.943 233 HA ASN 33 HA ASN 33 18.046 -8.198 7.797 234 HB2 ASN 33 HB2 ASN 33 19.342 -6.791 5.592 235 HB3 ASN 33 HB3 ASN 33 18.405 -5.712 6.622 236 HD21 ASN 33 HD21 ASN 33 18.705 -6.522 9.077 237 HD22 ASN 33 HD22 ASN 33 20.364 -6.590 9.554 238 H GLY 34 H GLY 34 16.663 -6.903 4.773 239 HA2 GLY 34 HA2 GLY 34 14.585 -5.465 6.067 240 HA3 GLY 34 HA3 GLY 34 14.653 -5.868 4.358 241 H VAL 35 H VAL 35 14.947 -8.787 5.272 242 HA VAL 35 HA VAL 35 12.275 -9.542 4.893 243 HB VAL 35 HB VAL 35 14.261 -11.003 4.479 244 HG11 VAL 35 HG11 VAL 35 14.351 -12.159 7.119 245 HG12 VAL 35 HG12 VAL 35 15.671 -11.581 6.101 246 HG13 VAL 35 HG13 VAL 35 14.815 -10.459 7.159 247 HG21 VAL 35 HG21 VAL 35 13.153 -13.083 5.187 248 HG22 VAL 35 HG22 VAL 35 12.083 -12.145 6.229 249 HG23 VAL 35 HG23 VAL 35 12.019 -11.933 4.479 250 H GLY 36 H GLY 36 13.925 -8.493 7.707 251 HA2 GLY 36 HA2 GLY 36 12.323 -9.833 9.652 252 HA3 GLY 36 HA3 GLY 36 13.352 -8.437 9.937 253 H LEU 37 H LEU 37 11.566 -7.388 7.497 254 HA LEU 37 HA LEU 37 9.705 -6.022 9.270 255 HB2 LEU 37 HB2 LEU 37 10.609 -5.608 6.445 256 HB3 LEU 37 HB3 LEU 37 9.167 -4.800 7.056 257 HG LEU 37 HG LEU 37 11.807 -4.526 8.454 258 HD11 LEU 37 HD11 LEU 37 10.799 -2.809 6.190 259 HD12 LEU 37 HD12 LEU 37 12.168 -3.918 6.109 260 HD13 LEU 37 HD13 LEU 37 12.236 -2.511 7.169 261 HD21 LEU 37 HD21 LEU 37 9.189 -3.618 8.932 262 HD22 LEU 37 HD22 LEU 37 10.118 -2.214 8.408 263 HD23 LEU 37 HD23 LEU 37 10.665 -3.169 9.787 264 H LEU 38 H LEU 38 9.712 -8.364 6.679 265 HA LEU 38 HA LEU 38 6.773 -8.473 6.777 266 HB2 LEU 38 HB2 LEU 38 6.725 -8.983 4.586 267 HB3 LEU 38 HB3 LEU 38 8.297 -8.186 4.595 268 HG LEU 38 HG LEU 38 7.849 -11.167 4.734 269 HD11 LEU 38 HD11 LEU 38 7.928 -9.328 2.516 270 HD12 LEU 38 HD12 LEU 38 7.584 -11.057 2.533 271 HD13 LEU 38 HD13 LEU 38 9.251 -10.491 2.424 272 HD21 LEU 38 HD21 LEU 38 10.417 -10.838 4.006 273 HD22 LEU 38 HD22 LEU 38 9.896 -11.048 5.677 274 HD23 LEU 38 HD23 LEU 38 10.212 -9.430 5.049 275 H GLY 39 H GLY 39 9.400 -9.935 8.079 276 HA2 GLY 39 HA2 GLY 39 8.893 -12.688 7.749 277 HA3 GLY 39 HA3 GLY 39 9.776 -11.964 9.085 278 H LYS 40 H LYS 40 7.897 -10.461 10.341 279 HA LYS 40 HA LYS 40 6.550 -12.293 11.936 280 HB2 LYS 40 HB2 LYS 40 6.873 -9.490 11.842 281 HB3 LYS 40 HB3 LYS 40 5.141 -9.785 11.919 282 HG2 LYS 40 HG2 LYS 40 5.231 -10.448 14.048 283 HG3 LYS 40 HG3 LYS 40 6.688 -11.409 13.788 284 HD2 LYS 40 HD2 LYS 40 7.149 -8.529 13.635 285 HD3 LYS 40 HD3 LYS 40 6.548 -9.061 15.207 286 HE2 LYS 40 HE2 LYS 40 8.753 -9.418 15.581 287 HE3 LYS 40 HE3 LYS 40 8.394 -10.951 14.790 288 HZ1 LYS 40 HZ1 LYS 40 10.362 -9.365 14.024 289 HZ2 LYS 40 HZ2 LYS 40 9.129 -8.732 13.055 290 HZ3 LYS 40 HZ3 LYS 40 9.532 -10.371 12.946 291 H LEU 41 H LEU 41 5.580 -10.775 8.955 292 HA LEU 41 HA LEU 41 2.806 -11.499 9.198 293 HB2 LEU 41 HB2 LEU 41 4.518 -10.205 7.148 294 HB3 LEU 41 HB3 LEU 41 3.020 -10.958 6.605 295 HG LEU 41 HG LEU 41 3.081 -8.903 8.801 296 HD11 LEU 41 HD11 LEU 41 2.808 -8.471 5.832 297 HD12 LEU 41 HD12 LEU 41 4.067 -7.835 6.890 298 HD13 LEU 41 HD13 LEU 41 2.404 -7.272 7.061 299 HD21 LEU 41 HD21 LEU 41 1.109 -10.547 8.233 300 HD22 LEU 41 HD22 LEU 41 0.815 -9.393 6.932 301 HD23 LEU 41 HD23 LEU 41 0.800 -8.852 8.611 302 H PHE 42 H PHE 42 5.399 -12.509 6.962 303 HA PHE 42 HA PHE 42 3.902 -14.938 6.354 304 HB2 PHE 42 HB2 PHE 42 6.466 -13.856 5.165 305 HB3 PHE 42 HB3 PHE 42 5.606 -15.284 4.600 306 HD1 PHE 42 HD1 PHE 42 3.854 -15.101 3.065 307 HD2 PHE 42 HD2 PHE 42 5.298 -11.620 5.043 308 HE1 PHE 42 HE1 PHE 42 2.498 -13.693 1.571 309 HE2 PHE 42 HE2 PHE 42 3.944 -10.207 3.553 310 HZ PHE 42 HZ PHE 42 2.540 -11.243 1.815 311 H GLY 43 H GLY 43 7.390 -14.377 6.821 312 HA2 GLY 43 HA2 GLY 43 8.591 -15.334 8.694 313 HA3 GLY 43 HA3 GLY 43 7.407 -16.632 8.722 314 H PHE 44 H PHE 44 10.083 -15.253 6.881 315 HA PHE 44 HA PHE 44 10.295 -17.404 5.039 316 HB2 PHE 44 HB2 PHE 44 11.997 -15.077 5.807 317 HB3 PHE 44 HB3 PHE 44 12.747 -16.391 4.907 318 HD1 PHE 44 HD1 PHE 44 12.428 -16.611 2.596 319 HD2 PHE 44 HD2 PHE 44 9.999 -13.916 4.822 320 HE1 PHE 44 HE1 PHE 44 11.546 -15.678 0.497 321 HE2 PHE 44 HE2 PHE 44 9.113 -12.979 2.727 322 HZ PHE 44 HZ PHE 44 9.885 -13.860 0.561 Start of MODEL 15 1 H MET 1 H MET 1 1.342 -0.602 0.004 2 HA MET 1 HA MET 1 1.188 -0.366 -2.785 3 HB2 MET 1 HB2 MET 1 3.195 0.454 -0.723 4 HB3 MET 1 HB3 MET 1 3.603 0.605 -2.427 5 HG2 MET 1 HG2 MET 1 1.638 2.015 -2.772 6 HG3 MET 1 HG3 MET 1 1.236 1.866 -1.062 7 HE1 MET 1 HE1 MET 1 2.017 4.021 -3.402 8 HE2 MET 1 HE2 MET 1 3.024 5.293 -2.711 9 HE3 MET 1 HE3 MET 1 3.770 3.961 -3.596 10 H THR 2 H THR 2 1.914 -1.613 -4.374 11 HA THR 2 HA THR 2 3.474 -3.965 -3.766 12 HB THR 2 HB THR 2 1.592 -4.047 -5.381 13 HG1 THR 2 HG1 THR 2 4.053 -4.622 -6.685 14 HG21 THR 2 HG21 THR 2 1.417 -2.658 -7.122 15 HG22 THR 2 HG22 THR 2 3.071 -2.992 -7.639 16 HG23 THR 2 HG23 THR 2 2.759 -1.750 -6.427 17 H GLY 3 H GLY 3 5.491 -4.504 -4.671 18 HA2 GLY 3 HA2 GLY 3 7.365 -3.935 -6.108 19 HA3 GLY 3 HA3 GLY 3 6.996 -2.241 -5.822 20 H LEU 4 H LEU 4 6.512 -3.045 -2.900 21 HA LEU 4 HA LEU 4 8.958 -2.198 -1.872 22 HB2 LEU 4 HB2 LEU 4 6.594 -3.597 -0.692 23 HB3 LEU 4 HB3 LEU 4 8.038 -3.329 0.282 24 HG LEU 4 HG LEU 4 6.561 -1.093 -1.089 25 HD11 LEU 4 HD11 LEU 4 5.499 -0.643 1.068 26 HD12 LEU 4 HD12 LEU 4 6.198 -2.123 1.722 27 HD13 LEU 4 HD13 LEU 4 5.013 -2.209 0.419 28 HD21 LEU 4 HD21 LEU 4 7.869 -0.366 1.322 29 HD22 LEU 4 HD22 LEU 4 8.230 0.151 -0.325 30 HD23 LEU 4 HD23 LEU 4 9.008 -1.286 0.339 31 H ALA 5 H ALA 5 7.609 -5.494 -1.973 32 HA ALA 5 HA ALA 5 10.340 -6.524 -1.561 33 HB1 ALA 5 HB1 ALA 5 7.760 -7.955 -0.949 34 HB2 ALA 5 HB2 ALA 5 9.395 -8.482 -0.549 35 HB3 ALA 5 HB3 ALA 5 8.709 -7.060 0.238 36 H GLU 6 H GLU 6 7.554 -6.514 -3.606 37 HA GLU 6 HA GLU 6 7.898 -8.859 -5.058 38 HB2 GLU 6 HB2 GLU 6 6.702 -6.190 -5.666 39 HB3 GLU 6 HB3 GLU 6 6.926 -7.333 -6.983 40 HG2 GLU 6 HG2 GLU 6 5.647 -9.005 -5.629 41 HG3 GLU 6 HG3 GLU 6 5.279 -7.704 -4.498 42 H ALA 7 H ALA 7 9.374 -5.674 -5.533 43 HA ALA 7 HA ALA 7 10.692 -6.086 -7.921 44 HB1 ALA 7 HB1 ALA 7 12.039 -4.257 -7.388 45 HB2 ALA 7 HB2 ALA 7 10.558 -3.976 -6.471 46 HB3 ALA 7 HB3 ALA 7 11.992 -4.606 -5.660 47 H ILE 8 H ILE 8 11.870 -6.813 -4.642 48 HA ILE 8 HA ILE 8 14.339 -7.913 -5.502 49 HB ILE 8 HB ILE 8 12.879 -8.441 -2.912 50 HG12 ILE 8 HG12 ILE 8 14.841 -6.657 -2.310 51 HG13 ILE 8 HG13 ILE 8 14.394 -6.116 -3.924 52 HG21 ILE 8 HG21 ILE 8 15.835 -8.586 -3.456 53 HG22 ILE 8 HG22 ILE 8 14.966 -9.128 -2.021 54 HG23 ILE 8 HG23 ILE 8 14.764 -9.985 -3.549 55 HD11 ILE 8 HD11 ILE 8 12.831 -4.925 -2.880 56 HD12 ILE 8 HD12 ILE 8 11.962 -6.452 -2.729 57 HD13 ILE 8 HD13 ILE 8 12.965 -5.873 -1.400 58 H ALA 9 H ALA 9 11.154 -9.261 -4.912 59 HA ALA 9 HA ALA 9 12.018 -11.995 -5.119 60 HB1 ALA 9 HB1 ALA 9 9.207 -11.672 -5.603 61 HB2 ALA 9 HB2 ALA 9 10.029 -12.411 -4.227 62 HB3 ALA 9 HB3 ALA 9 9.708 -10.677 -4.235 63 H ASN 10 H ASN 10 11.754 -9.598 -7.356 64 HA ASN 10 HA ASN 10 10.582 -11.139 -9.502 65 HB2 ASN 10 HB2 ASN 10 10.693 -8.493 -9.081 66 HB3 ASN 10 HB3 ASN 10 12.131 -8.669 -10.083 67 HD21 ASN 10 HD21 ASN 10 11.908 -8.888 -12.221 68 HD22 ASN 10 HD22 ASN 10 10.396 -9.018 -13.047 69 H THR 11 H THR 11 13.603 -10.950 -8.047 70 HA THR 11 HA THR 11 14.921 -12.011 -10.462 71 HB THR 11 HB THR 11 15.894 -9.870 -9.709 72 HG1 THR 11 HG1 THR 11 17.833 -11.789 -9.053 73 HG21 THR 11 HG21 THR 11 15.461 -9.959 -7.344 74 HG22 THR 11 HG22 THR 11 17.206 -9.870 -7.585 75 HG23 THR 11 HG23 THR 11 16.450 -11.409 -7.173 76 H VAL 12 H VAL 12 14.148 -12.511 -7.128 77 HA VAL 12 HA VAL 12 16.014 -14.470 -6.430 78 HB VAL 12 HB VAL 12 14.489 -15.152 -4.692 79 HG11 VAL 12 HG11 VAL 12 15.082 -12.366 -5.245 80 HG12 VAL 12 HG12 VAL 12 13.670 -12.557 -4.204 81 HG13 VAL 12 HG13 VAL 12 15.214 -13.271 -3.738 82 HG21 VAL 12 HG21 VAL 12 12.181 -13.943 -4.703 83 HG22 VAL 12 HG22 VAL 12 12.445 -13.856 -6.444 84 HG23 VAL 12 HG23 VAL 12 12.400 -15.423 -5.637 85 H GLN 13 H GLN 13 13.397 -14.592 -8.629 86 HA GLN 13 HA GLN 13 12.536 -17.202 -8.550 87 HB2 GLN 13 HB2 GLN 13 13.102 -15.653 -11.081 88 HB3 GLN 13 HB3 GLN 13 11.957 -16.974 -10.886 89 HG2 GLN 13 HG2 GLN 13 10.745 -15.519 -9.224 90 HG3 GLN 13 HG3 GLN 13 11.782 -14.197 -9.759 91 HE21 GLN 13 HE21 GLN 13 9.829 -16.775 -11.230 92 HE22 GLN 13 HE22 GLN 13 9.081 -15.765 -12.415 93 H ALA 14 H ALA 14 15.444 -15.916 -10.107 94 HA ALA 14 HA ALA 14 16.452 -18.676 -10.304 95 HB1 ALA 14 HB1 ALA 14 17.672 -17.009 -12.286 96 HB2 ALA 14 HB2 ALA 14 16.743 -18.494 -12.496 97 HB3 ALA 14 HB3 ALA 14 15.916 -16.937 -12.446 98 H ALA 15 H ALA 15 16.815 -15.791 -8.817 99 HA ALA 15 HA ALA 15 19.750 -15.942 -8.717 100 HB1 ALA 15 HB1 ALA 15 18.555 -13.769 -9.317 101 HB2 ALA 15 HB2 ALA 15 18.094 -13.693 -7.616 102 HB3 ALA 15 HB3 ALA 15 19.799 -13.691 -8.069 103 H GLN 16 H GLN 16 16.842 -16.171 -6.800 104 HA GLN 16 HA GLN 16 16.460 -16.671 -4.606 105 HB2 GLN 16 HB2 GLN 16 19.029 -18.239 -4.833 106 HB3 GLN 16 HB3 GLN 16 17.677 -18.556 -3.755 107 HG2 GLN 16 HG2 GLN 16 16.268 -19.084 -5.683 108 HG3 GLN 16 HG3 GLN 16 17.635 -18.785 -6.755 109 HE21 GLN 16 HE21 GLN 16 16.257 -20.921 -4.388 110 HE22 GLN 16 HE22 GLN 16 17.308 -22.259 -4.686 111 H GLN 17 H GLN 17 18.059 -14.285 -5.141 112 HA GLN 17 HA GLN 17 19.110 -12.663 -3.939 113 HB2 GLN 17 HB2 GLN 17 19.010 -14.450 -1.521 114 HB3 GLN 17 HB3 GLN 17 19.000 -12.693 -1.583 115 HG2 GLN 17 HG2 GLN 17 16.762 -12.702 -2.492 116 HG3 GLN 17 HG3 GLN 17 16.768 -14.464 -2.552 117 HE21 GLN 17 HE21 GLN 17 15.816 -11.829 -0.804 118 HE22 GLN 17 HE22 GLN 17 15.568 -12.584 0.730 119 H HIS 18 H HIS 18 20.676 -14.411 -5.407 120 HA HIS 18 HA HIS 18 22.998 -14.967 -3.702 121 HB2 HIS 18 HB2 HIS 18 22.116 -15.970 -6.389 122 HB3 HIS 18 HB3 HIS 18 23.808 -16.084 -5.916 123 HD1 HIS 18 HD1 HIS 18 20.902 -18.061 -5.943 124 HD2 HIS 18 HD2 HIS 18 23.895 -17.400 -3.139 125 HE1 HIS 18 HE1 HIS 18 20.803 -20.028 -4.379 126 H ASP 19 H ASP 19 22.691 -13.975 -7.106 127 HA ASP 19 HA ASP 19 25.092 -12.628 -7.292 128 HB2 ASP 19 HB2 ASP 19 23.386 -13.225 -9.134 129 HB3 ASP 19 HB3 ASP 19 22.639 -11.676 -8.753 130 H SER 20 H SER 20 22.021 -11.505 -6.031 131 HA SER 20 HA SER 20 22.436 -8.767 -5.983 132 HB2 SER 20 HB2 SER 20 21.004 -10.505 -3.960 133 HB3 SER 20 HB3 SER 20 20.882 -8.747 -4.030 134 HG SER 20 HG SER 20 19.871 -8.895 -5.985 135 H VAL 21 H VAL 21 23.615 -11.253 -3.787 136 HA VAL 21 HA VAL 21 24.586 -9.622 -1.738 137 HB VAL 21 HB VAL 21 25.734 -12.239 -2.722 138 HG11 VAL 21 HG11 VAL 21 26.163 -12.072 -0.008 139 HG12 VAL 21 HG12 VAL 21 27.370 -11.796 -1.266 140 HG13 VAL 21 HG13 VAL 21 26.494 -10.433 -0.569 141 HG21 VAL 21 HG21 VAL 21 23.565 -12.780 -2.153 142 HG22 VAL 21 HG22 VAL 21 24.402 -13.019 -0.619 143 HG23 VAL 21 HG23 VAL 21 23.473 -11.546 -0.896 144 H LYS 22 H LYS 22 25.734 -10.104 -4.942 145 HA LYS 22 HA LYS 22 28.304 -8.835 -4.286 146 HB2 LYS 22 HB2 LYS 22 28.020 -11.072 -5.661 147 HB3 LYS 22 HB3 LYS 22 27.712 -9.962 -6.989 148 HG2 LYS 22 HG2 LYS 22 29.942 -8.854 -6.060 149 HG3 LYS 22 HG3 LYS 22 30.215 -10.508 -5.509 150 HD2 LYS 22 HD2 LYS 22 31.192 -10.425 -7.640 151 HD3 LYS 22 HD3 LYS 22 29.633 -11.211 -7.898 152 HE2 LYS 22 HE2 LYS 22 29.454 -9.699 -9.562 153 HE3 LYS 22 HE3 LYS 22 28.928 -8.637 -8.257 154 HZ1 LYS 22 HZ1 LYS 22 31.774 -8.851 -9.029 155 HZ2 LYS 22 HZ2 LYS 22 31.012 -7.625 -8.148 156 HZ3 LYS 22 HZ3 LYS 22 30.723 -7.777 -9.807 157 H LEU 23 H LEU 23 25.366 -8.491 -6.139 158 HA LEU 23 HA LEU 23 26.004 -5.693 -6.607 159 HB2 LEU 23 HB2 LEU 23 26.684 -7.285 -8.589 160 HB3 LEU 23 HB3 LEU 23 24.959 -7.219 -8.943 161 HG LEU 23 HG LEU 23 26.219 -5.615 -10.285 162 HD11 LEU 23 HD11 LEU 23 24.887 -3.638 -9.786 163 HD12 LEU 23 HD12 LEU 23 24.486 -4.296 -8.200 164 HD13 LEU 23 HD13 LEU 23 23.914 -5.104 -9.659 165 HD21 LEU 23 HD21 LEU 23 26.867 -4.142 -7.748 166 HD22 LEU 23 HD22 LEU 23 27.481 -3.854 -9.377 167 HD23 LEU 23 HD23 LEU 23 27.988 -5.288 -8.483 168 H GLY 24 H GLY 24 24.329 -4.983 -5.374 169 HA2 GLY 24 HA2 GLY 24 21.808 -4.663 -6.412 170 HA3 GLY 24 HA3 GLY 24 21.716 -6.151 -5.481 171 H THR 25 H THR 25 22.691 -2.747 -5.221 172 HA THR 25 HA THR 25 22.833 -2.625 -2.429 173 HB THR 25 HB THR 25 23.672 -0.857 -3.983 174 HG1 THR 25 HG1 THR 25 21.968 -0.202 -1.810 175 HG21 THR 25 HG21 THR 25 21.054 0.498 -4.014 176 HG22 THR 25 HG22 THR 25 21.202 -0.895 -5.085 177 HG23 THR 25 HG23 THR 25 22.324 0.456 -5.236 178 H SER 26 H SER 26 20.108 -2.557 -4.594 179 HA SER 26 HA SER 26 18.288 -1.748 -2.461 180 HB2 SER 26 HB2 SER 26 16.574 -2.031 -4.389 181 HB3 SER 26 HB3 SER 26 17.705 -0.681 -4.464 182 HG SER 26 HG SER 26 17.446 -2.011 -6.427 183 H ILE 27 H ILE 27 19.772 -4.422 -2.766 184 HA ILE 27 HA ILE 27 17.409 -6.094 -2.254 185 HB ILE 27 HB ILE 27 19.838 -6.959 -3.828 186 HG12 ILE 27 HG12 ILE 27 17.744 -7.417 -5.460 187 HG13 ILE 27 HG13 ILE 27 17.121 -6.027 -4.577 188 HG21 ILE 27 HG21 ILE 27 18.107 -8.960 -4.164 189 HG22 ILE 27 HG22 ILE 27 19.279 -8.926 -2.848 190 HG23 ILE 27 HG23 ILE 27 17.611 -8.435 -2.555 191 HD11 ILE 27 HD11 ILE 27 19.652 -5.224 -5.219 192 HD12 ILE 27 HD12 ILE 27 19.180 -6.176 -6.627 193 HD13 ILE 27 HD13 ILE 27 18.185 -4.816 -6.109 194 H VAL 28 H VAL 28 20.869 -5.588 -1.786 195 HA VAL 28 HA VAL 28 21.400 -7.640 0.019 196 HB VAL 28 HB VAL 28 23.217 -6.138 0.897 197 HG11 VAL 28 HG11 VAL 28 23.323 -6.065 -2.082 198 HG12 VAL 28 HG12 VAL 28 24.565 -6.538 -0.921 199 HG13 VAL 28 HG13 VAL 28 23.217 -7.623 -1.263 200 HG21 VAL 28 HG21 VAL 28 23.615 -4.021 -0.251 201 HG22 VAL 28 HG22 VAL 28 22.120 -4.226 -1.164 202 HG23 VAL 28 HG23 VAL 28 22.061 -4.004 0.584 203 H ASP 29 H ASP 29 19.678 -4.664 0.453 204 HA ASP 29 HA ASP 29 19.709 -4.942 3.364 205 HB2 ASP 29 HB2 ASP 29 18.572 -2.773 1.586 206 HB3 ASP 29 HB3 ASP 29 18.523 -2.757 3.347 207 H ILE 30 H ILE 30 18.245 -6.714 1.388 208 HA ILE 30 HA ILE 30 15.590 -6.472 2.642 209 HB ILE 30 HB ILE 30 16.165 -7.359 -0.188 210 HG12 ILE 30 HG12 ILE 30 16.291 -4.943 0.040 211 HG13 ILE 30 HG13 ILE 30 14.804 -5.374 -0.799 212 HG21 ILE 30 HG21 ILE 30 14.237 -8.452 -0.124 213 HG22 ILE 30 HG22 ILE 30 14.000 -7.980 1.557 214 HG23 ILE 30 HG23 ILE 30 13.408 -6.944 0.260 215 HD11 ILE 30 HD11 ILE 30 14.152 -5.287 1.920 216 HD12 ILE 30 HD12 ILE 30 15.161 -3.874 1.608 217 HD13 ILE 30 HD13 ILE 30 13.699 -4.140 0.659 218 H VAL 31 H VAL 31 17.898 -8.671 1.081 219 HA VAL 31 HA VAL 31 16.592 -11.045 1.977 220 HB VAL 31 HB VAL 31 17.977 -11.168 0.014 221 HG11 VAL 31 HG11 VAL 31 20.608 -11.026 1.067 222 HG12 VAL 31 HG12 VAL 31 19.859 -10.006 -0.163 223 HG13 VAL 31 HG13 VAL 31 19.751 -9.559 1.541 224 HG21 VAL 31 HG21 VAL 31 19.441 -12.656 2.182 225 HG22 VAL 31 HG22 VAL 31 17.845 -13.127 1.598 226 HG23 VAL 31 HG23 VAL 31 19.223 -13.129 0.497 227 H ALA 32 H ALA 32 18.868 -8.856 3.369 228 HA ALA 32 HA ALA 32 19.345 -10.733 5.589 229 HB1 ALA 32 HB1 ALA 32 21.018 -8.296 5.174 230 HB2 ALA 32 HB2 ALA 32 21.438 -9.833 5.931 231 HB3 ALA 32 HB3 ALA 32 21.292 -9.725 4.177 232 H ASN 33 H ASN 33 18.504 -7.407 4.754 233 HA ASN 33 HA ASN 33 17.976 -6.756 7.541 234 HB2 ASN 33 HB2 ASN 33 18.305 -5.240 5.027 235 HB3 ASN 33 HB3 ASN 33 17.130 -4.576 6.158 236 HD21 ASN 33 HD21 ASN 33 17.891 -4.290 8.402 237 HD22 ASN 33 HD22 ASN 33 19.527 -3.789 8.644 238 H GLY 34 H GLY 34 16.115 -6.414 4.509 239 HA2 GLY 34 HA2 GLY 34 13.622 -6.014 5.629 240 HA3 GLY 34 HA3 GLY 34 13.889 -6.768 4.064 241 H VAL 35 H VAL 35 15.392 -9.005 5.284 242 HA VAL 35 HA VAL 35 13.326 -10.853 5.535 243 HB VAL 35 HB VAL 35 15.715 -11.400 5.036 244 HG11 VAL 35 HG11 VAL 35 16.334 -11.651 7.910 245 HG12 VAL 35 HG12 VAL 35 17.384 -11.243 6.552 246 HG13 VAL 35 HG13 VAL 35 16.331 -10.015 7.254 247 HG21 VAL 35 HG21 VAL 35 15.682 -13.467 6.659 248 HG22 VAL 35 HG22 VAL 35 14.062 -12.875 7.029 249 HG23 VAL 35 HG23 VAL 35 14.486 -13.308 5.373 250 H GLY 36 H GLY 36 14.864 -8.834 7.935 251 HA2 GLY 36 HA2 GLY 36 13.941 -10.242 10.228 252 HA3 GLY 36 HA3 GLY 36 14.513 -8.581 10.194 253 H LEU 37 H LEU 37 12.376 -8.148 8.012 254 HA LEU 37 HA LEU 37 10.303 -7.354 9.882 255 HB2 LEU 37 HB2 LEU 37 10.844 -6.804 6.986 256 HB3 LEU 37 HB3 LEU 37 9.294 -6.394 7.716 257 HG LEU 37 HG LEU 37 10.607 -5.009 9.388 258 HD11 LEU 37 HD11 LEU 37 12.806 -5.569 9.315 259 HD12 LEU 37 HD12 LEU 37 12.827 -4.245 8.151 260 HD13 LEU 37 HD13 LEU 37 12.779 -5.915 7.586 261 HD21 LEU 37 HD21 LEU 37 10.913 -3.144 7.767 262 HD22 LEU 37 HD22 LEU 37 9.345 -3.944 7.653 263 HD23 LEU 37 HD23 LEU 37 10.600 -4.288 6.462 264 H LEU 38 H LEU 38 10.838 -9.723 7.388 265 HA LEU 38 HA LEU 38 8.032 -10.520 7.382 266 HB2 LEU 38 HB2 LEU 38 8.492 -11.784 5.491 267 HB3 LEU 38 HB3 LEU 38 9.525 -10.369 5.307 268 HG LEU 38 HG LEU 38 11.283 -11.999 6.472 269 HD11 LEU 38 HD11 LEU 38 9.126 -13.742 5.442 270 HD12 LEU 38 HD12 LEU 38 10.260 -13.998 6.768 271 HD13 LEU 38 HD13 LEU 38 10.786 -14.230 5.100 272 HD21 LEU 38 HD21 LEU 38 11.590 -10.859 4.346 273 HD22 LEU 38 HD22 LEU 38 10.549 -12.037 3.546 274 HD23 LEU 38 HD23 LEU 38 12.096 -12.544 4.226 275 H GLY 39 H GLY 39 11.089 -11.470 8.708 276 HA2 GLY 39 HA2 GLY 39 10.742 -14.166 9.208 277 HA3 GLY 39 HA3 GLY 39 11.624 -13.073 10.264 278 H LYS 40 H LYS 40 9.181 -11.455 10.747 279 HA LYS 40 HA LYS 40 8.022 -13.212 12.785 280 HB2 LYS 40 HB2 LYS 40 7.862 -10.205 12.502 281 HB3 LYS 40 HB3 LYS 40 7.237 -11.146 13.851 282 HG2 LYS 40 HG2 LYS 40 10.088 -11.541 13.244 283 HG3 LYS 40 HG3 LYS 40 9.642 -9.939 13.835 284 HD2 LYS 40 HD2 LYS 40 9.839 -10.864 15.872 285 HD3 LYS 40 HD3 LYS 40 8.255 -11.563 15.531 286 HE2 LYS 40 HE2 LYS 40 9.430 -13.440 16.134 287 HE3 LYS 40 HE3 LYS 40 9.677 -13.446 14.388 288 HZ1 LYS 40 HZ1 LYS 40 11.618 -13.428 16.360 289 HZ2 LYS 40 HZ2 LYS 40 11.675 -11.894 15.650 290 HZ3 LYS 40 HZ3 LYS 40 11.851 -13.277 14.691 291 H LEU 41 H LEU 41 7.232 -11.437 9.910 292 HA LEU 41 HA LEU 41 4.404 -11.435 10.260 293 HB2 LEU 41 HB2 LEU 41 5.996 -10.078 8.644 294 HB3 LEU 41 HB3 LEU 41 5.629 -11.409 7.549 295 HG LEU 41 HG LEU 41 3.445 -9.829 8.870 296 HD11 LEU 41 HD11 LEU 41 4.972 -9.151 6.369 297 HD12 LEU 41 HD12 LEU 41 4.721 -8.144 7.794 298 HD13 LEU 41 HD13 LEU 41 3.366 -8.518 6.730 299 HD21 LEU 41 HD21 LEU 41 2.089 -10.677 7.135 300 HD22 LEU 41 HD22 LEU 41 3.040 -12.045 7.714 301 HD23 LEU 41 HD23 LEU 41 3.484 -11.234 6.211 302 H PHE 42 H PHE 42 6.575 -13.407 8.233 303 HA PHE 42 HA PHE 42 4.414 -15.287 7.716 304 HB2 PHE 42 HB2 PHE 42 7.275 -15.244 6.732 305 HB3 PHE 42 HB3 PHE 42 6.041 -16.386 6.212 306 HD1 PHE 42 HD1 PHE 42 4.556 -15.851 4.486 307 HD2 PHE 42 HD2 PHE 42 6.931 -12.793 6.254 308 HE1 PHE 42 HE1 PHE 42 3.855 -14.289 2.719 309 HE2 PHE 42 HE2 PHE 42 6.233 -11.226 4.490 310 HZ PHE 42 HZ PHE 42 4.692 -11.973 2.720 311 H GLY 43 H GLY 43 7.840 -15.847 8.517 312 HA2 GLY 43 HA2 GLY 43 8.488 -16.899 10.608 313 HA3 GLY 43 HA3 GLY 43 6.947 -17.743 10.595 314 H PHE 44 H PHE 44 9.457 -17.322 8.106 315 HA PHE 44 HA PHE 44 9.227 -19.831 6.977 316 HB2 PHE 44 HB2 PHE 44 11.646 -19.466 6.250 317 HB3 PHE 44 HB3 PHE 44 10.492 -18.216 5.799 318 HD1 PHE 44 HD1 PHE 44 12.806 -19.041 8.608 319 HD2 PHE 44 HD2 PHE 44 11.117 -16.034 6.113 320 HE1 PHE 44 HE1 PHE 44 14.224 -17.348 9.693 321 HE2 PHE 44 HE2 PHE 44 12.532 -14.337 7.194 322 HZ PHE 44 HZ PHE 44 14.089 -14.993 8.986 Start of MODEL 16 1 H MET 1 H MET 1 -0.266 -0.260 -0.664 2 HA MET 1 HA MET 1 1.669 -0.087 -2.689 3 HB2 MET 1 HB2 MET 1 1.644 1.377 -0.715 4 HB3 MET 1 HB3 MET 1 2.054 0.007 0.309 5 HG2 MET 1 HG2 MET 1 4.126 -0.209 -1.219 6 HG3 MET 1 HG3 MET 1 3.749 1.449 -1.681 7 HE1 MET 1 HE1 MET 1 6.446 2.238 -0.390 8 HE2 MET 1 HE2 MET 1 4.987 3.039 -0.972 9 HE3 MET 1 HE3 MET 1 5.609 3.402 0.638 10 H THR 2 H THR 2 1.909 -2.147 -3.611 11 HA THR 2 HA THR 2 3.110 -4.218 -1.914 12 HB THR 2 HB THR 2 1.153 -4.847 -3.327 13 HG1 THR 2 HG1 THR 2 3.594 -6.135 -4.048 14 HG21 THR 2 HG21 THR 2 2.845 -4.910 -5.755 15 HG22 THR 2 HG22 THR 2 2.227 -3.333 -5.264 16 HG23 THR 2 HG23 THR 2 1.108 -4.657 -5.590 17 H GLY 3 H GLY 3 4.952 -5.430 -2.752 18 HA2 GLY 3 HA2 GLY 3 6.755 -5.589 -4.377 19 HA3 GLY 3 HA3 GLY 3 6.623 -3.851 -4.602 20 H LEU 4 H LEU 4 6.382 -5.019 -1.381 21 HA LEU 4 HA LEU 4 8.741 -3.590 -0.611 22 HB2 LEU 4 HB2 LEU 4 6.943 -5.413 0.981 23 HB3 LEU 4 HB3 LEU 4 8.203 -4.382 1.656 24 HG LEU 4 HG LEU 4 6.807 -2.480 0.476 25 HD11 LEU 4 HD11 LEU 4 4.319 -3.310 1.035 26 HD12 LEU 4 HD12 LEU 4 5.018 -4.827 0.469 27 HD13 LEU 4 HD13 LEU 4 5.036 -3.405 -0.574 28 HD21 LEU 4 HD21 LEU 4 5.559 -3.566 2.952 29 HD22 LEU 4 HD22 LEU 4 6.032 -1.913 2.555 30 HD23 LEU 4 HD23 LEU 4 7.261 -3.102 2.991 31 H ALA 5 H ALA 5 7.793 -7.022 -0.444 32 HA ALA 5 HA ALA 5 10.660 -7.707 -0.363 33 HB1 ALA 5 HB1 ALA 5 8.425 -9.424 0.695 34 HB2 ALA 5 HB2 ALA 5 10.160 -9.622 0.946 35 HB3 ALA 5 HB3 ALA 5 9.312 -8.265 1.687 36 H GLU 6 H GLU 6 7.610 -8.193 -1.928 37 HA GLU 6 HA GLU 6 8.090 -10.585 -3.290 38 HB2 GLU 6 HB2 GLU 6 6.341 -8.215 -3.764 39 HB3 GLU 6 HB3 GLU 6 6.539 -9.378 -5.066 40 HG2 GLU 6 HG2 GLU 6 5.825 -11.166 -3.491 41 HG3 GLU 6 HG3 GLU 6 5.476 -9.910 -2.304 42 H ALA 7 H ALA 7 8.904 -7.249 -4.141 43 HA ALA 7 HA ALA 7 9.851 -7.680 -6.726 44 HB1 ALA 7 HB1 ALA 7 10.844 -5.562 -6.598 45 HB2 ALA 7 HB2 ALA 7 9.456 -5.471 -5.512 46 HB3 ALA 7 HB3 ALA 7 11.078 -5.681 -4.853 47 H ILE 8 H ILE 8 11.645 -7.693 -3.651 48 HA ILE 8 HA ILE 8 14.153 -8.320 -4.772 49 HB ILE 8 HB ILE 8 13.114 -8.854 -1.987 50 HG12 ILE 8 HG12 ILE 8 14.857 -6.823 -1.719 51 HG13 ILE 8 HG13 ILE 8 14.305 -6.506 -3.360 52 HG21 ILE 8 HG21 ILE 8 15.945 -8.877 -3.024 53 HG22 ILE 8 HG22 ILE 8 15.464 -9.043 -1.336 54 HG23 ILE 8 HG23 ILE 8 15.018 -10.285 -2.506 55 HD11 ILE 8 HD11 ILE 8 12.327 -6.961 -1.173 56 HD12 ILE 8 HD12 ILE 8 13.099 -5.388 -1.374 57 HD13 ILE 8 HD13 ILE 8 12.142 -6.075 -2.686 58 H ALA 9 H ALA 9 11.503 -10.326 -3.608 59 HA ALA 9 HA ALA 9 12.979 -12.783 -3.919 60 HB1 ALA 9 HB1 ALA 9 10.215 -13.325 -3.769 61 HB2 ALA 9 HB2 ALA 9 11.428 -13.488 -2.499 62 HB3 ALA 9 HB3 ALA 9 10.538 -11.976 -2.679 63 H ASN 10 H ASN 10 11.769 -10.696 -6.109 64 HA ASN 10 HA ASN 10 10.530 -12.593 -7.907 65 HB2 ASN 10 HB2 ASN 10 10.080 -10.003 -7.616 66 HB3 ASN 10 HB3 ASN 10 11.386 -9.869 -8.791 67 HD21 ASN 10 HD21 ASN 10 8.125 -10.865 -8.229 68 HD22 ASN 10 HD22 ASN 10 7.701 -11.139 -9.881 69 H THR 11 H THR 11 13.680 -11.540 -7.195 70 HA THR 11 HA THR 11 14.675 -12.525 -9.787 71 HB THR 11 HB THR 11 15.291 -10.177 -9.230 72 HG1 THR 11 HG1 THR 11 17.603 -11.823 -9.165 73 HG21 THR 11 HG21 THR 11 16.993 -9.804 -7.481 74 HG22 THR 11 HG22 THR 11 16.815 -11.484 -6.973 75 HG23 THR 11 HG23 THR 11 15.461 -10.366 -6.814 76 H VAL 12 H VAL 12 14.811 -12.902 -6.329 77 HA VAL 12 HA VAL 12 17.106 -14.386 -5.965 78 HB VAL 12 HB VAL 12 16.051 -15.391 -4.023 79 HG11 VAL 12 HG11 VAL 12 15.866 -12.532 -4.618 80 HG12 VAL 12 HG12 VAL 12 14.833 -13.061 -3.289 81 HG13 VAL 12 HG13 VAL 12 16.570 -13.360 -3.230 82 HG21 VAL 12 HG21 VAL 12 13.564 -14.669 -3.664 83 HG22 VAL 12 HG22 VAL 12 13.541 -14.586 -5.426 84 HG23 VAL 12 HG23 VAL 12 13.942 -16.103 -4.620 85 H GLN 13 H GLN 13 14.086 -15.343 -7.426 86 HA GLN 13 HA GLN 13 14.216 -18.096 -7.287 87 HB2 GLN 13 HB2 GLN 13 13.229 -16.314 -9.513 88 HB3 GLN 13 HB3 GLN 13 13.000 -18.057 -9.503 89 HG2 GLN 13 HG2 GLN 13 12.138 -16.914 -7.012 90 HG3 GLN 13 HG3 GLN 13 11.350 -16.116 -8.372 91 HE21 GLN 13 HE21 GLN 13 10.822 -17.920 -10.154 92 HE22 GLN 13 HE22 GLN 13 9.880 -19.226 -9.531 93 H ALA 14 H ALA 14 16.049 -15.898 -9.293 94 HA ALA 14 HA ALA 14 17.577 -18.200 -10.317 95 HB1 ALA 14 HB1 ALA 14 16.050 -16.914 -11.978 96 HB2 ALA 14 HB2 ALA 14 17.319 -15.690 -11.920 97 HB3 ALA 14 HB3 ALA 14 17.697 -17.328 -12.453 98 H ALA 15 H ALA 15 17.913 -16.261 -8.018 99 HA ALA 15 HA ALA 15 20.669 -15.483 -8.678 100 HB1 ALA 15 HB1 ALA 15 18.577 -13.672 -8.268 101 HB2 ALA 15 HB2 ALA 15 19.530 -13.645 -6.784 102 HB3 ALA 15 HB3 ALA 15 20.304 -13.320 -8.335 103 H GLN 16 H GLN 16 18.316 -15.914 -6.043 104 HA GLN 16 HA GLN 16 18.504 -16.832 -3.970 105 HB2 GLN 16 HB2 GLN 16 21.081 -18.061 -4.950 106 HB3 GLN 16 HB3 GLN 16 20.061 -18.627 -3.634 107 HG2 GLN 16 HG2 GLN 16 18.251 -18.865 -5.470 108 HG3 GLN 16 HG3 GLN 16 19.620 -18.814 -6.580 109 HE21 GLN 16 HE21 GLN 16 18.077 -21.018 -6.543 110 HE22 GLN 16 HE22 GLN 16 18.917 -22.339 -5.813 111 H GLN 17 H GLN 17 19.493 -14.225 -4.361 112 HA GLN 17 HA GLN 17 20.644 -12.609 -3.248 113 HB2 GLN 17 HB2 GLN 17 21.474 -14.710 -1.256 114 HB3 GLN 17 HB3 GLN 17 21.267 -12.984 -0.991 115 HG2 GLN 17 HG2 GLN 17 18.852 -13.233 -1.336 116 HG3 GLN 17 HG3 GLN 17 19.075 -14.969 -1.551 117 HE21 GLN 17 HE21 GLN 17 17.789 -15.491 0.197 118 HE22 GLN 17 HE22 GLN 17 18.285 -15.226 1.831 119 H HIS 18 H HIS 18 21.937 -13.980 -5.349 120 HA HIS 18 HA HIS 18 24.731 -14.080 -4.434 121 HB2 HIS 18 HB2 HIS 18 24.093 -16.133 -5.506 122 HB3 HIS 18 HB3 HIS 18 23.395 -15.266 -6.871 123 HD1 HIS 18 HD1 HIS 18 24.904 -14.819 -8.811 124 HD2 HIS 18 HD2 HIS 18 26.999 -15.947 -5.405 125 HE1 HIS 18 HE1 HIS 18 27.289 -15.110 -9.554 126 H ASP 19 H ASP 19 23.203 -13.354 -7.565 127 HA ASP 19 HA ASP 19 25.137 -11.532 -8.403 128 HB2 ASP 19 HB2 ASP 19 22.409 -12.275 -9.249 129 HB3 ASP 19 HB3 ASP 19 22.930 -10.664 -9.736 130 H SER 20 H SER 20 22.330 -11.097 -6.378 131 HA SER 20 HA SER 20 22.003 -8.338 -6.527 132 HB2 SER 20 HB2 SER 20 21.674 -9.962 -4.000 133 HB3 SER 20 HB3 SER 20 20.816 -8.491 -4.455 134 HG SER 20 HG SER 20 19.678 -9.613 -5.960 135 H VAL 21 H VAL 21 24.429 -10.238 -4.917 136 HA VAL 21 HA VAL 21 25.375 -8.256 -3.129 137 HB VAL 21 HB VAL 21 26.913 -10.563 -4.330 138 HG11 VAL 21 HG11 VAL 21 28.608 -9.477 -3.317 139 HG12 VAL 21 HG12 VAL 21 27.529 -8.534 -2.287 140 HG13 VAL 21 HG13 VAL 21 27.931 -10.197 -1.857 141 HG21 VAL 21 HG21 VAL 21 24.967 -11.447 -3.278 142 HG22 VAL 21 HG22 VAL 21 26.319 -11.699 -2.173 143 HG23 VAL 21 HG23 VAL 21 25.171 -10.393 -1.878 144 H LYS 22 H LYS 22 25.838 -8.816 -6.511 145 HA LYS 22 HA LYS 22 28.058 -6.900 -6.604 146 HB2 LYS 22 HB2 LYS 22 27.879 -9.266 -7.844 147 HB3 LYS 22 HB3 LYS 22 27.105 -8.266 -9.066 148 HG2 LYS 22 HG2 LYS 22 29.049 -6.916 -9.307 149 HG3 LYS 22 HG3 LYS 22 29.812 -7.663 -7.901 150 HD2 LYS 22 HD2 LYS 22 28.999 -9.334 -10.248 151 HD3 LYS 22 HD3 LYS 22 30.509 -8.420 -10.285 152 HE2 LYS 22 HE2 LYS 22 31.209 -9.532 -8.207 153 HE3 LYS 22 HE3 LYS 22 29.714 -10.465 -8.214 154 HZ1 LYS 22 HZ1 LYS 22 31.727 -11.610 -9.145 155 HZ2 LYS 22 HZ2 LYS 22 31.657 -10.536 -10.450 156 HZ3 LYS 22 HZ3 LYS 22 30.371 -11.596 -10.157 157 H LEU 23 H LEU 23 24.752 -7.401 -7.631 158 HA LEU 23 HA LEU 23 24.710 -4.636 -8.647 159 HB2 LEU 23 HB2 LEU 23 22.979 -6.884 -9.651 160 HB3 LEU 23 HB3 LEU 23 23.107 -5.254 -10.309 161 HG LEU 23 HG LEU 23 25.511 -7.029 -10.284 162 HD11 LEU 23 HD11 LEU 23 24.544 -7.416 -12.776 163 HD12 LEU 23 HD12 LEU 23 23.050 -7.434 -11.840 164 HD13 LEU 23 HD13 LEU 23 24.349 -8.560 -11.449 165 HD21 LEU 23 HD21 LEU 23 26.092 -4.919 -11.002 166 HD22 LEU 23 HD22 LEU 23 24.536 -4.638 -11.784 167 HD23 LEU 23 HD23 LEU 23 25.717 -5.717 -12.529 168 H GLY 24 H GLY 24 24.051 -3.889 -6.587 169 HA2 GLY 24 HA2 GLY 24 21.778 -3.027 -5.903 170 HA3 GLY 24 HA3 GLY 24 21.329 -4.722 -5.802 171 H THR 25 H THR 25 22.912 -2.085 -4.248 172 HA THR 25 HA THR 25 23.897 -3.759 -2.072 173 HB THR 25 HB THR 25 25.283 -1.869 -2.947 174 HG1 THR 25 HG1 THR 25 24.533 -2.212 -0.278 175 HG21 THR 25 HG21 THR 25 23.351 -0.310 -3.286 176 HG22 THR 25 HG22 THR 25 24.716 0.401 -2.425 177 HG23 THR 25 HG23 THR 25 23.280 -0.108 -1.537 178 H SER 26 H SER 26 21.179 -1.836 -2.874 179 HA SER 26 HA SER 26 20.393 -1.421 -0.102 180 HB2 SER 26 HB2 SER 26 19.365 -0.499 -2.758 181 HB3 SER 26 HB3 SER 26 18.277 -0.486 -1.371 182 HG SER 26 HG SER 26 19.422 1.494 -1.626 183 H ILE 27 H ILE 27 20.022 -3.759 -2.522 184 HA ILE 27 HA ILE 27 17.512 -4.781 -1.422 185 HB ILE 27 HB ILE 27 19.080 -5.942 -3.718 186 HG12 ILE 27 HG12 ILE 27 17.076 -4.666 -4.960 187 HG13 ILE 27 HG13 ILE 27 17.279 -3.579 -3.591 188 HG21 ILE 27 HG21 ILE 27 17.463 -7.459 -3.828 189 HG22 ILE 27 HG22 ILE 27 16.829 -6.823 -2.311 190 HG23 ILE 27 HG23 ILE 27 16.223 -6.206 -3.848 191 HD11 ILE 27 HD11 ILE 27 18.838 -2.587 -4.822 192 HD12 ILE 27 HD12 ILE 27 19.855 -3.980 -4.451 193 HD13 ILE 27 HD13 ILE 27 18.927 -3.940 -5.950 194 H VAL 28 H VAL 28 20.924 -5.530 -1.627 195 HA VAL 28 HA VAL 28 20.914 -8.201 -0.849 196 HB VAL 28 HB VAL 28 23.191 -7.687 0.153 197 HG11 VAL 28 HG11 VAL 28 23.816 -6.684 -2.345 198 HG12 VAL 28 HG12 VAL 28 23.673 -8.388 -1.909 199 HG13 VAL 28 HG13 VAL 28 22.294 -7.536 -2.604 200 HG21 VAL 28 HG21 VAL 28 24.149 -5.518 -0.216 201 HG22 VAL 28 HG22 VAL 28 22.687 -4.959 -1.030 202 HG23 VAL 28 HG23 VAL 28 22.654 -5.316 0.697 203 H ASP 29 H ASP 29 20.289 -5.335 0.990 204 HA ASP 29 HA ASP 29 20.436 -6.824 3.512 205 HB2 ASP 29 HB2 ASP 29 20.444 -3.916 2.806 206 HB3 ASP 29 HB3 ASP 29 19.897 -4.409 4.406 207 H ILE 30 H ILE 30 18.309 -7.077 1.414 208 HA ILE 30 HA ILE 30 15.999 -6.357 3.099 209 HB ILE 30 HB ILE 30 16.095 -6.630 0.093 210 HG12 ILE 30 HG12 ILE 30 17.087 -4.542 0.985 211 HG13 ILE 30 HG13 ILE 30 15.620 -4.244 0.060 212 HG21 ILE 30 HG21 ILE 30 13.938 -7.182 0.309 213 HG22 ILE 30 HG22 ILE 30 13.889 -6.692 2.002 214 HG23 ILE 30 HG23 ILE 30 13.689 -5.487 0.730 215 HD11 ILE 30 HD11 ILE 30 15.038 -4.619 2.859 216 HD12 ILE 30 HD12 ILE 30 16.205 -3.322 2.602 217 HD13 ILE 30 HD13 ILE 30 14.640 -3.273 1.791 218 H VAL 31 H VAL 31 17.437 -8.790 0.993 219 HA VAL 31 HA VAL 31 15.331 -10.705 1.496 220 HB VAL 31 HB VAL 31 16.519 -10.668 -0.669 221 HG11 VAL 31 HG11 VAL 31 18.890 -11.845 0.753 222 HG12 VAL 31 HG12 VAL 31 18.777 -11.276 -0.914 223 HG13 VAL 31 HG13 VAL 31 18.755 -10.119 0.418 224 HG21 VAL 31 HG21 VAL 31 16.926 -13.111 -0.813 225 HG22 VAL 31 HG22 VAL 31 16.806 -13.201 0.944 226 HG23 VAL 31 HG23 VAL 31 15.410 -12.702 -0.011 227 H ALA 32 H ALA 32 18.407 -9.868 2.845 228 HA ALA 32 HA ALA 32 18.344 -12.282 4.532 229 HB1 ALA 32 HB1 ALA 32 20.727 -10.491 4.150 230 HB2 ALA 32 HB2 ALA 32 20.680 -12.134 4.791 231 HB3 ALA 32 HB3 ALA 32 20.376 -11.847 3.077 232 H ASN 33 H ASN 33 18.482 -8.784 4.517 233 HA ASN 33 HA ASN 33 18.512 -8.737 7.450 234 HB2 ASN 33 HB2 ASN 33 19.422 -6.911 5.345 235 HB3 ASN 33 HB3 ASN 33 18.529 -6.106 6.632 236 HD21 ASN 33 HD21 ASN 33 21.059 -8.557 6.214 237 HD22 ASN 33 HD22 ASN 33 22.046 -8.006 7.520 238 H GLY 34 H GLY 34 16.807 -7.046 4.803 239 HA2 GLY 34 HA2 GLY 34 14.734 -5.989 6.315 240 HA3 GLY 34 HA3 GLY 34 14.619 -6.381 4.606 241 H VAL 35 H VAL 35 15.164 -9.246 5.140 242 HA VAL 35 HA VAL 35 12.545 -10.184 5.258 243 HB VAL 35 HB VAL 35 14.500 -11.454 4.357 244 HG11 VAL 35 HG11 VAL 35 15.062 -12.515 7.073 245 HG12 VAL 35 HG12 VAL 35 16.118 -12.388 5.665 246 HG13 VAL 35 HG13 VAL 35 15.761 -10.957 6.633 247 HG21 VAL 35 HG21 VAL 35 13.645 -13.612 5.850 248 HG22 VAL 35 HG22 VAL 35 12.297 -12.479 5.954 249 HG23 VAL 35 HG23 VAL 35 12.890 -13.002 4.377 250 H GLY 36 H GLY 36 14.784 -9.429 7.806 251 HA2 GLY 36 HA2 GLY 36 13.846 -10.940 9.919 252 HA3 GLY 36 HA3 GLY 36 14.492 -9.314 10.082 253 H LEU 37 H LEU 37 12.515 -7.918 8.644 254 HA LEU 37 HA LEU 37 10.459 -7.815 10.665 255 HB2 LEU 37 HB2 LEU 37 10.927 -6.207 8.161 256 HB3 LEU 37 HB3 LEU 37 9.606 -5.909 9.289 257 HG LEU 37 HG LEU 37 11.492 -5.631 11.045 258 HD11 LEU 37 HD11 LEU 37 13.544 -4.636 9.943 259 HD12 LEU 37 HD12 LEU 37 12.996 -5.405 8.454 260 HD13 LEU 37 HD13 LEU 37 13.382 -6.390 9.865 261 HD21 LEU 37 HD21 LEU 37 10.854 -3.512 10.895 262 HD22 LEU 37 HD22 LEU 37 10.125 -3.868 9.328 263 HD23 LEU 37 HD23 LEU 37 11.793 -3.298 9.417 264 H LEU 38 H LEU 38 10.766 -8.880 7.343 265 HA LEU 38 HA LEU 38 8.076 -9.086 6.645 266 HB2 LEU 38 HB2 LEU 38 9.664 -9.370 4.940 267 HB3 LEU 38 HB3 LEU 38 10.514 -10.633 5.828 268 HG LEU 38 HG LEU 38 7.751 -11.322 5.151 269 HD11 LEU 38 HD11 LEU 38 7.734 -10.771 3.006 270 HD12 LEU 38 HD12 LEU 38 9.158 -11.780 2.753 271 HD13 LEU 38 HD13 LEU 38 9.347 -10.070 3.141 272 HD21 LEU 38 HD21 LEU 38 9.915 -12.675 5.968 273 HD22 LEU 38 HD22 LEU 38 10.080 -12.888 4.225 274 HD23 LEU 38 HD23 LEU 38 8.607 -13.412 5.043 275 H GLY 39 H GLY 39 10.055 -11.102 8.688 276 HA2 GLY 39 HA2 GLY 39 8.468 -13.428 8.694 277 HA3 GLY 39 HA3 GLY 39 9.565 -12.937 9.976 278 H LYS 40 H LYS 40 8.065 -10.365 10.286 279 HA LYS 40 HA LYS 40 6.193 -11.324 12.242 280 HB2 LYS 40 HB2 LYS 40 7.157 -8.623 11.369 281 HB3 LYS 40 HB3 LYS 40 5.728 -8.753 12.387 282 HG2 LYS 40 HG2 LYS 40 7.434 -8.444 13.915 283 HG3 LYS 40 HG3 LYS 40 7.220 -10.196 13.914 284 HD2 LYS 40 HD2 LYS 40 9.151 -10.533 12.605 285 HD3 LYS 40 HD3 LYS 40 9.240 -8.828 12.157 286 HE2 LYS 40 HE2 LYS 40 9.942 -8.200 14.325 287 HE3 LYS 40 HE3 LYS 40 9.519 -9.773 14.998 288 HZ1 LYS 40 HZ1 LYS 40 11.429 -10.692 14.282 289 HZ2 LYS 40 HZ2 LYS 40 11.990 -9.097 14.313 290 HZ3 LYS 40 HZ3 LYS 40 11.481 -9.785 12.854 291 H LEU 41 H LEU 41 6.036 -10.111 8.990 292 HA LEU 41 HA LEU 41 3.162 -9.709 9.096 293 HB2 LEU 41 HB2 LEU 41 5.314 -9.226 7.105 294 HB3 LEU 41 HB3 LEU 41 3.667 -9.428 6.512 295 HG LEU 41 HG LEU 41 4.276 -7.427 8.658 296 HD11 LEU 41 HD11 LEU 41 5.078 -7.326 5.829 297 HD12 LEU 41 HD12 LEU 41 5.705 -6.447 7.224 298 HD13 LEU 41 HD13 LEU 41 4.225 -5.905 6.432 299 HD21 LEU 41 HD21 LEU 41 1.935 -8.064 8.073 300 HD22 LEU 41 HD22 LEU 41 2.224 -7.437 6.450 301 HD23 LEU 41 HD23 LEU 41 2.301 -6.354 7.841 302 H PHE 42 H PHE 42 5.377 -11.698 7.127 303 HA PHE 42 HA PHE 42 3.164 -13.555 6.625 304 HB2 PHE 42 HB2 PHE 42 5.855 -13.298 5.267 305 HB3 PHE 42 HB3 PHE 42 4.612 -14.466 4.833 306 HD1 PHE 42 HD1 PHE 42 2.852 -13.885 3.398 307 HD2 PHE 42 HD2 PHE 42 5.365 -10.849 5.007 308 HE1 PHE 42 HE1 PHE 42 1.841 -12.242 1.870 309 HE2 PHE 42 HE2 PHE 42 4.357 -9.202 3.482 310 HZ PHE 42 HZ PHE 42 2.593 -9.898 1.911 311 H GLY 43 H GLY 43 6.689 -13.975 6.961 312 HA2 GLY 43 HA2 GLY 43 7.883 -15.325 8.419 313 HA3 GLY 43 HA3 GLY 43 6.377 -15.722 9.233 314 H PHE 44 H PHE 44 7.634 -16.193 5.929 315 HA PHE 44 HA PHE 44 6.457 -18.825 5.818 316 HB2 PHE 44 HB2 PHE 44 7.137 -18.867 3.533 317 HB3 PHE 44 HB3 PHE 44 6.585 -17.227 3.861 318 HD1 PHE 44 HD1 PHE 44 9.495 -19.347 3.192 319 HD2 PHE 44 HD2 PHE 44 8.116 -15.375 3.855 320 HE1 PHE 44 HE1 PHE 44 11.643 -18.468 2.375 321 HE2 PHE 44 HE2 PHE 44 10.261 -14.490 3.038 322 HZ PHE 44 HZ PHE 44 12.028 -16.037 2.296 Start of MODEL 17 1 H MET 1 H MET 1 0.479 -4.319 -1.509 2 HA MET 1 HA MET 1 2.990 -5.083 -2.785 3 HB2 MET 1 HB2 MET 1 0.772 -5.859 -3.675 4 HB3 MET 1 HB3 MET 1 0.420 -4.189 -4.097 5 HG2 MET 1 HG2 MET 1 2.379 -4.160 -5.570 6 HG3 MET 1 HG3 MET 1 2.692 -5.847 -5.167 7 HE1 MET 1 HE1 MET 1 0.148 -7.323 -5.086 8 HE2 MET 1 HE2 MET 1 -0.311 -7.712 -6.744 9 HE3 MET 1 HE3 MET 1 1.365 -7.900 -6.226 10 H THR 2 H THR 2 4.263 -3.320 -2.053 11 HA THR 2 HA THR 2 3.707 -0.811 -3.494 12 HB THR 2 HB THR 2 4.674 0.473 -1.665 13 HG1 THR 2 HG1 THR 2 4.971 -2.082 -0.446 14 HG21 THR 2 HG21 THR 2 2.566 -1.405 -0.594 15 HG22 THR 2 HG22 THR 2 2.240 -0.033 -1.654 16 HG23 THR 2 HG23 THR 2 2.903 0.234 -0.042 17 H GLY 3 H GLY 3 5.402 -3.207 -4.095 18 HA2 GLY 3 HA2 GLY 3 7.497 -3.677 -4.911 19 HA3 GLY 3 HA3 GLY 3 7.546 -1.969 -5.324 20 H LEU 4 H LEU 4 7.280 -3.090 -2.025 21 HA LEU 4 HA LEU 4 9.750 -1.725 -1.370 22 HB2 LEU 4 HB2 LEU 4 7.451 -2.840 0.137 23 HB3 LEU 4 HB3 LEU 4 8.995 -2.725 0.979 24 HG LEU 4 HG LEU 4 7.528 -0.417 -0.299 25 HD11 LEU 4 HD11 LEU 4 7.911 -0.364 2.578 26 HD12 LEU 4 HD12 LEU 4 6.910 -1.717 2.053 27 HD13 LEU 4 HD13 LEU 4 6.459 -0.068 1.622 28 HD21 LEU 4 HD21 LEU 4 9.792 0.146 -0.353 29 HD22 LEU 4 HD22 LEU 4 10.125 -0.653 1.184 30 HD23 LEU 4 HD23 LEU 4 9.215 0.858 1.154 31 H ALA 5 H ALA 5 8.426 -4.967 -0.673 32 HA ALA 5 HA ALA 5 11.195 -5.979 -0.640 33 HB1 ALA 5 HB1 ALA 5 8.798 -7.117 0.793 34 HB2 ALA 5 HB2 ALA 5 10.456 -7.714 0.883 35 HB3 ALA 5 HB3 ALA 5 10.055 -6.125 1.533 36 H GLU 6 H GLU 6 8.017 -6.321 -1.982 37 HA GLU 6 HA GLU 6 8.122 -8.908 -3.001 38 HB2 GLU 6 HB2 GLU 6 6.696 -6.408 -3.791 39 HB3 GLU 6 HB3 GLU 6 6.677 -7.768 -4.905 40 HG2 GLU 6 HG2 GLU 6 5.920 -9.127 -2.831 41 HG3 GLU 6 HG3 GLU 6 5.498 -7.547 -2.174 42 H ALA 7 H ALA 7 9.242 -5.869 -4.452 43 HA ALA 7 HA ALA 7 10.045 -6.819 -6.928 44 HB1 ALA 7 HB1 ALA 7 11.283 -4.853 -7.170 45 HB2 ALA 7 HB2 ALA 7 9.993 -4.415 -6.049 46 HB3 ALA 7 HB3 ALA 7 11.617 -4.741 -5.442 47 H ILE 8 H ILE 8 11.988 -6.561 -3.953 48 HA ILE 8 HA ILE 8 14.341 -7.668 -5.003 49 HB ILE 8 HB ILE 8 13.321 -7.664 -2.162 50 HG12 ILE 8 HG12 ILE 8 15.355 -5.913 -2.188 51 HG13 ILE 8 HG13 ILE 8 14.837 -5.756 -3.863 52 HG21 ILE 8 HG21 ILE 8 16.064 -8.323 -3.226 53 HG22 ILE 8 HG22 ILE 8 15.666 -8.088 -1.524 54 HG23 ILE 8 HG23 ILE 8 14.952 -9.429 -2.420 55 HD11 ILE 8 HD11 ILE 8 13.071 -4.544 -3.290 56 HD12 ILE 8 HD12 ILE 8 12.605 -5.679 -2.023 57 HD13 ILE 8 HD13 ILE 8 13.797 -4.425 -1.688 58 H ALA 9 H ALA 9 11.525 -9.165 -3.495 59 HA ALA 9 HA ALA 9 12.686 -11.805 -3.540 60 HB1 ALA 9 HB1 ALA 9 9.872 -11.934 -3.206 61 HB2 ALA 9 HB2 ALA 9 11.136 -12.169 -1.998 62 HB3 ALA 9 HB3 ALA 9 10.470 -10.560 -2.276 63 H ASN 10 H ASN 10 11.581 -9.873 -5.927 64 HA ASN 10 HA ASN 10 10.040 -11.828 -7.402 65 HB2 ASN 10 HB2 ASN 10 9.835 -9.208 -7.430 66 HB3 ASN 10 HB3 ASN 10 11.118 -9.317 -8.632 67 HD21 ASN 10 HD21 ASN 10 9.964 -8.698 -10.382 68 HD22 ASN 10 HD22 ASN 10 8.638 -9.595 -11.032 69 H THR 11 H THR 11 13.318 -11.056 -6.980 70 HA THR 11 HA THR 11 14.045 -12.446 -9.474 71 HB THR 11 HB THR 11 14.932 -10.131 -9.254 72 HG1 THR 11 HG1 THR 11 16.779 -12.299 -9.259 73 HG21 THR 11 HG21 THR 11 15.363 -10.771 -6.632 74 HG22 THR 11 HG22 THR 11 16.089 -9.399 -7.468 75 HG23 THR 11 HG23 THR 11 16.984 -10.909 -7.309 76 H VAL 12 H VAL 12 14.266 -12.473 -6.018 77 HA VAL 12 HA VAL 12 16.445 -14.163 -5.615 78 HB VAL 12 HB VAL 12 15.493 -14.708 -3.463 79 HG11 VAL 12 HG11 VAL 12 15.595 -11.984 -4.484 80 HG12 VAL 12 HG12 VAL 12 14.571 -12.147 -3.056 81 HG13 VAL 12 HG13 VAL 12 16.258 -12.661 -2.997 82 HG21 VAL 12 HG21 VAL 12 13.143 -13.672 -3.006 83 HG22 VAL 12 HG22 VAL 12 12.947 -13.825 -4.752 84 HG23 VAL 12 HG23 VAL 12 13.273 -15.255 -3.774 85 H GLN 13 H GLN 13 13.320 -14.831 -6.899 86 HA GLN 13 HA GLN 13 12.923 -17.492 -6.293 87 HB2 GLN 13 HB2 GLN 13 12.394 -16.206 -8.977 88 HB3 GLN 13 HB3 GLN 13 11.608 -17.639 -8.328 89 HG2 GLN 13 HG2 GLN 13 10.880 -16.072 -6.404 90 HG3 GLN 13 HG3 GLN 13 11.271 -14.780 -7.538 91 HE21 GLN 13 HE21 GLN 13 8.701 -15.622 -6.389 92 HE22 GLN 13 HE22 GLN 13 7.670 -15.944 -7.738 93 H ALA 14 H ALA 14 14.876 -16.117 -8.918 94 HA ALA 14 HA ALA 14 16.017 -18.792 -9.383 95 HB1 ALA 14 HB1 ALA 14 16.856 -17.524 -11.538 96 HB2 ALA 14 HB2 ALA 14 15.232 -18.207 -11.447 97 HB3 ALA 14 HB3 ALA 14 15.480 -16.482 -11.176 98 H ALA 15 H ALA 15 16.704 -15.557 -8.392 99 HA ALA 15 HA ALA 15 19.546 -15.707 -8.786 100 HB1 ALA 15 HB1 ALA 15 18.356 -13.564 -8.821 101 HB2 ALA 15 HB2 ALA 15 17.939 -13.773 -7.120 102 HB3 ALA 15 HB3 ALA 15 19.626 -13.589 -7.598 103 H GLN 16 H GLN 16 17.381 -15.886 -5.969 104 HA GLN 16 HA GLN 16 17.632 -16.851 -3.924 105 HB2 GLN 16 HB2 GLN 16 20.121 -18.191 -4.969 106 HB3 GLN 16 HB3 GLN 16 19.055 -18.739 -3.682 107 HG2 GLN 16 HG2 GLN 16 17.270 -18.790 -5.591 108 HG3 GLN 16 HG3 GLN 16 18.691 -18.871 -6.632 109 HE21 GLN 16 HE21 GLN 16 16.439 -20.729 -5.357 110 HE22 GLN 16 HE22 GLN 16 17.318 -22.192 -5.090 111 H GLN 17 H GLN 17 18.862 -14.303 -4.556 112 HA GLN 17 HA GLN 17 20.136 -12.735 -3.510 113 HB2 GLN 17 HB2 GLN 17 20.867 -14.783 -1.432 114 HB3 GLN 17 HB3 GLN 17 20.744 -13.039 -1.250 115 HG2 GLN 17 HG2 GLN 17 18.294 -13.237 -1.620 116 HG3 GLN 17 HG3 GLN 17 18.484 -14.989 -1.610 117 HE21 GLN 17 HE21 GLN 17 16.991 -14.917 0.182 118 HE22 GLN 17 HE22 GLN 17 17.582 -14.585 1.771 119 H HIS 18 H HIS 18 21.281 -14.166 -5.590 120 HA HIS 18 HA HIS 18 24.055 -14.601 -4.718 121 HB2 HIS 18 HB2 HIS 18 22.415 -15.667 -6.974 122 HB3 HIS 18 HB3 HIS 18 24.154 -15.514 -7.203 123 HD1 HIS 18 HD1 HIS 18 21.696 -17.833 -6.039 124 HD2 HIS 18 HD2 HIS 18 25.607 -16.917 -4.977 125 HE1 HIS 18 HE1 HIS 18 22.527 -19.826 -4.751 126 H ASP 19 H ASP 19 22.582 -13.529 -7.777 127 HA ASP 19 HA ASP 19 24.676 -11.957 -8.643 128 HB2 ASP 19 HB2 ASP 19 23.243 -11.135 -10.279 129 HB3 ASP 19 HB3 ASP 19 22.454 -12.643 -9.824 130 H SER 20 H SER 20 22.106 -11.167 -6.393 131 HA SER 20 HA SER 20 22.451 -8.382 -6.314 132 HB2 SER 20 HB2 SER 20 21.417 -8.595 -4.002 133 HB3 SER 20 HB3 SER 20 20.482 -9.294 -5.324 134 HG SER 20 HG SER 20 20.987 -10.543 -3.221 135 H VAL 21 H VAL 21 24.120 -10.998 -4.675 136 HA VAL 21 HA VAL 21 25.538 -9.376 -2.822 137 HB VAL 21 HB VAL 21 26.341 -12.089 -3.881 138 HG11 VAL 21 HG11 VAL 21 27.283 -12.151 -1.448 139 HG12 VAL 21 HG12 VAL 21 28.188 -11.336 -2.725 140 HG13 VAL 21 HG13 VAL 21 27.223 -10.394 -1.586 141 HG21 VAL 21 HG21 VAL 21 24.028 -12.040 -2.985 142 HG22 VAL 21 HG22 VAL 21 25.121 -13.052 -2.041 143 HG23 VAL 21 HG23 VAL 21 24.671 -11.452 -1.452 144 H LYS 22 H LYS 22 25.957 -10.088 -6.163 145 HA LYS 22 HA LYS 22 28.722 -9.113 -6.134 146 HB2 LYS 22 HB2 LYS 22 28.154 -11.225 -7.363 147 HB3 LYS 22 HB3 LYS 22 27.164 -10.263 -8.454 148 HG2 LYS 22 HG2 LYS 22 28.956 -9.369 -9.519 149 HG3 LYS 22 HG3 LYS 22 29.978 -9.420 -8.081 150 HD2 LYS 22 HD2 LYS 22 29.117 -11.967 -9.390 151 HD3 LYS 22 HD3 LYS 22 30.452 -11.035 -10.072 152 HE2 LYS 22 HE2 LYS 22 31.642 -12.346 -8.648 153 HE3 LYS 22 HE3 LYS 22 31.236 -11.045 -7.531 154 HZ1 LYS 22 HZ1 LYS 22 30.704 -13.693 -7.171 155 HZ2 LYS 22 HZ2 LYS 22 29.209 -13.060 -7.645 156 HZ3 LYS 22 HZ3 LYS 22 30.012 -12.416 -6.303 157 H LEU 23 H LEU 23 25.535 -8.110 -6.799 158 HA LEU 23 HA LEU 23 26.448 -5.489 -7.560 159 HB2 LEU 23 HB2 LEU 23 26.285 -7.019 -9.667 160 HB3 LEU 23 HB3 LEU 23 24.550 -6.765 -9.484 161 HG LEU 23 HG LEU 23 25.546 -5.246 -11.131 162 HD11 LEU 23 HD11 LEU 23 24.599 -3.177 -10.261 163 HD12 LEU 23 HD12 LEU 23 24.590 -3.855 -8.633 164 HD13 LEU 23 HD13 LEU 23 23.563 -4.554 -9.884 165 HD21 LEU 23 HD21 LEU 23 27.585 -5.016 -9.188 166 HD22 LEU 23 HD22 LEU 23 26.856 -3.421 -9.377 167 HD23 LEU 23 HD23 LEU 23 27.504 -4.267 -10.783 168 H GLY 24 H GLY 24 25.325 -4.459 -6.011 169 HA2 GLY 24 HA2 GLY 24 22.918 -3.485 -6.031 170 HA3 GLY 24 HA3 GLY 24 22.493 -5.142 -5.629 171 H THR 25 H THR 25 23.031 -2.170 -4.349 172 HA THR 25 HA THR 25 23.999 -3.242 -1.784 173 HB THR 25 HB THR 25 25.318 -1.371 -2.791 174 HG1 THR 25 HG1 THR 25 24.126 -1.327 -0.268 175 HG21 THR 25 HG21 THR 25 23.284 0.607 -1.969 176 HG22 THR 25 HG22 THR 25 22.946 -0.272 -3.460 177 HG23 THR 25 HG23 THR 25 24.438 0.654 -3.300 178 H SER 26 H SER 26 21.394 -1.534 -3.359 179 HA SER 26 HA SER 26 20.011 -1.126 -0.816 180 HB2 SER 26 HB2 SER 26 19.397 -0.207 -3.630 181 HB3 SER 26 HB3 SER 26 18.325 0.076 -2.259 182 HG SER 26 HG SER 26 19.516 1.747 -1.861 183 H ILE 27 H ILE 27 20.451 -3.789 -2.078 184 HA ILE 27 HA ILE 27 17.645 -4.645 -2.042 185 HB ILE 27 HB ILE 27 19.607 -5.876 -3.960 186 HG12 ILE 27 HG12 ILE 27 17.970 -4.472 -5.588 187 HG13 ILE 27 HG13 ILE 27 18.042 -3.373 -4.216 188 HG21 ILE 27 HG21 ILE 27 17.945 -7.269 -4.449 189 HG22 ILE 27 HG22 ILE 27 17.065 -6.600 -3.076 190 HG23 ILE 27 HG23 ILE 27 16.819 -5.933 -4.690 191 HD11 ILE 27 HD11 ILE 27 20.664 -3.990 -4.551 192 HD12 ILE 27 HD12 ILE 27 20.069 -4.029 -6.211 193 HD13 ILE 27 HD13 ILE 27 19.859 -2.577 -5.233 194 H VAL 28 H VAL 28 21.050 -5.594 -1.849 195 HA VAL 28 HA VAL 28 20.694 -8.189 -0.869 196 HB VAL 28 HB VAL 28 22.991 -7.873 0.151 197 HG11 VAL 28 HG11 VAL 28 22.952 -7.014 -2.721 198 HG12 VAL 28 HG12 VAL 28 24.059 -8.120 -1.906 199 HG13 VAL 28 HG13 VAL 28 22.401 -8.619 -2.241 200 HG21 VAL 28 HG21 VAL 28 24.217 -5.871 -0.337 201 HG22 VAL 28 HG22 VAL 28 22.861 -5.203 -1.246 202 HG23 VAL 28 HG23 VAL 28 22.731 -5.418 0.500 203 H ASP 29 H ASP 29 20.257 -5.137 0.652 204 HA ASP 29 HA ASP 29 20.378 -6.261 3.339 205 HB2 ASP 29 HB2 ASP 29 19.975 -3.951 4.093 206 HB3 ASP 29 HB3 ASP 29 21.347 -4.045 2.992 207 H ILE 30 H ILE 30 18.244 -6.684 1.102 208 HA ILE 30 HA ILE 30 15.892 -6.057 2.759 209 HB ILE 30 HB ILE 30 16.069 -6.580 -0.209 210 HG12 ILE 30 HG12 ILE 30 16.816 -4.338 0.531 211 HG13 ILE 30 HG13 ILE 30 15.348 -4.265 -0.438 212 HG21 ILE 30 HG21 ILE 30 13.978 -7.346 0.016 213 HG22 ILE 30 HG22 ILE 30 13.823 -6.713 1.654 214 HG23 ILE 30 HG23 ILE 30 13.543 -5.656 0.270 215 HD11 ILE 30 HD11 ILE 30 14.692 -4.491 2.345 216 HD12 ILE 30 HD12 ILE 30 15.790 -3.137 2.071 217 HD13 ILE 30 HD13 ILE 30 14.267 -3.231 1.187 218 H VAL 31 H VAL 31 17.692 -8.587 1.193 219 HA VAL 31 HA VAL 31 15.651 -10.589 1.743 220 HB VAL 31 HB VAL 31 17.181 -12.178 0.677 221 HG11 VAL 31 HG11 VAL 31 16.979 -9.675 -0.987 222 HG12 VAL 31 HG12 VAL 31 17.008 -11.347 -1.552 223 HG13 VAL 31 HG13 VAL 31 15.616 -10.742 -0.652 224 HG21 VAL 31 HG21 VAL 31 19.275 -11.100 1.470 225 HG22 VAL 31 HG22 VAL 31 19.295 -11.503 -0.247 226 HG23 VAL 31 HG23 VAL 31 19.034 -9.836 0.264 227 H ALA 32 H ALA 32 18.549 -9.334 3.133 228 HA ALA 32 HA ALA 32 18.647 -11.570 5.045 229 HB1 ALA 32 HB1 ALA 32 20.785 -9.522 4.472 230 HB2 ALA 32 HB2 ALA 32 20.929 -10.937 5.516 231 HB3 ALA 32 HB3 ALA 32 20.722 -11.143 3.777 232 H ASN 33 H ASN 33 18.579 -8.051 4.763 233 HA ASN 33 HA ASN 33 18.289 -7.787 7.659 234 HB2 ASN 33 HB2 ASN 33 19.431 -6.168 5.620 235 HB3 ASN 33 HB3 ASN 33 18.079 -5.273 6.309 236 HD21 ASN 33 HD21 ASN 33 19.285 -3.768 7.368 237 HD22 ASN 33 HD22 ASN 33 20.303 -4.136 8.714 238 H GLY 34 H GLY 34 16.643 -6.496 4.760 239 HA2 GLY 34 HA2 GLY 34 14.338 -5.621 6.094 240 HA3 GLY 34 HA3 GLY 34 14.439 -5.986 4.378 241 H VAL 35 H VAL 35 15.279 -8.795 5.060 242 HA VAL 35 HA VAL 35 12.746 -10.000 4.882 243 HB VAL 35 HB VAL 35 14.928 -11.007 4.125 244 HG11 VAL 35 HG11 VAL 35 16.225 -12.288 5.740 245 HG12 VAL 35 HG12 VAL 35 16.203 -10.578 6.174 246 HG13 VAL 35 HG13 VAL 35 15.182 -11.723 7.045 247 HG21 VAL 35 HG21 VAL 35 14.170 -13.340 5.279 248 HG22 VAL 35 HG22 VAL 35 12.718 -12.365 5.507 249 HG23 VAL 35 HG23 VAL 35 13.368 -12.613 3.887 250 H GLY 36 H GLY 36 14.623 -8.992 7.598 251 HA2 GLY 36 HA2 GLY 36 13.493 -10.724 9.550 252 HA3 GLY 36 HA3 GLY 36 14.324 -9.209 9.869 253 H LEU 37 H LEU 37 12.121 -8.202 7.803 254 HA LEU 37 HA LEU 37 10.322 -7.336 9.912 255 HB2 LEU 37 HB2 LEU 37 11.327 -6.149 7.630 256 HB3 LEU 37 HB3 LEU 37 9.653 -6.503 7.206 257 HG LEU 37 HG LEU 37 10.499 -4.920 9.630 258 HD11 LEU 37 HD11 LEU 37 10.895 -3.253 8.212 259 HD12 LEU 37 HD12 LEU 37 9.163 -3.245 7.881 260 HD13 LEU 37 HD13 LEU 37 10.254 -4.163 6.844 261 HD21 LEU 37 HD21 LEU 37 7.970 -4.217 9.187 262 HD22 LEU 37 HD22 LEU 37 8.407 -5.592 10.202 263 HD23 LEU 37 HD23 LEU 37 7.912 -5.852 8.529 264 H LEU 38 H LEU 38 10.247 -9.281 6.978 265 HA LEU 38 HA LEU 38 7.425 -9.917 7.468 266 HB2 LEU 38 HB2 LEU 38 7.172 -10.254 5.258 267 HB3 LEU 38 HB3 LEU 38 8.603 -9.231 5.163 268 HG LEU 38 HG LEU 38 8.602 -12.248 5.065 269 HD11 LEU 38 HD11 LEU 38 8.141 -10.248 3.040 270 HD12 LEU 38 HD12 LEU 38 8.042 -12.005 2.931 271 HD13 LEU 38 HD13 LEU 38 9.588 -11.193 2.686 272 HD21 LEU 38 HD21 LEU 38 10.713 -11.884 5.783 273 HD22 LEU 38 HD22 LEU 38 10.718 -10.199 5.262 274 HD23 LEU 38 HD23 LEU 38 10.984 -11.487 4.087 275 H GLY 39 H GLY 39 10.375 -11.058 8.317 276 HA2 GLY 39 HA2 GLY 39 10.194 -13.829 7.788 277 HA3 GLY 39 HA3 GLY 39 11.176 -13.084 9.041 278 H LYS 40 H LYS 40 8.943 -11.832 10.396 279 HA LYS 40 HA LYS 40 8.184 -14.042 12.051 280 HB2 LYS 40 HB2 LYS 40 7.102 -12.402 13.445 281 HB3 LYS 40 HB3 LYS 40 8.656 -11.761 12.928 282 HG2 LYS 40 HG2 LYS 40 7.618 -10.320 11.339 283 HG3 LYS 40 HG3 LYS 40 6.047 -11.085 11.591 284 HD2 LYS 40 HD2 LYS 40 6.043 -9.019 12.785 285 HD3 LYS 40 HD3 LYS 40 6.156 -10.318 13.974 286 HE2 LYS 40 HE2 LYS 40 7.695 -8.597 14.601 287 HE3 LYS 40 HE3 LYS 40 8.624 -9.975 14.011 288 HZ1 LYS 40 HZ1 LYS 40 7.922 -7.651 12.310 289 HZ2 LYS 40 HZ2 LYS 40 9.035 -8.879 11.974 290 HZ3 LYS 40 HZ3 LYS 40 9.365 -7.749 13.189 291 H LEU 41 H LEU 41 6.722 -12.276 9.446 292 HA LEU 41 HA LEU 41 4.053 -13.242 9.985 293 HB2 LEU 41 HB2 LEU 41 5.328 -11.561 7.876 294 HB3 LEU 41 HB3 LEU 41 3.751 -12.285 7.564 295 HG LEU 41 HG LEU 41 4.214 -10.615 10.010 296 HD11 LEU 41 HD11 LEU 41 3.151 -8.771 8.533 297 HD12 LEU 41 HD12 LEU 41 3.825 -9.697 7.192 298 HD13 LEU 41 HD13 LEU 41 4.889 -9.056 8.443 299 HD21 LEU 41 HD21 LEU 41 2.153 -12.092 9.560 300 HD22 LEU 41 HD22 LEU 41 1.720 -10.867 8.368 301 HD23 LEU 41 HD23 LEU 41 1.896 -10.422 10.066 302 H PHE 42 H PHE 42 6.719 -14.014 7.821 303 HA PHE 42 HA PHE 42 5.190 -16.340 6.855 304 HB2 PHE 42 HB2 PHE 42 7.470 -14.865 5.520 305 HB3 PHE 42 HB3 PHE 42 6.697 -16.313 4.885 306 HD1 PHE 42 HD1 PHE 42 4.711 -16.184 3.643 307 HD2 PHE 42 HD2 PHE 42 6.114 -12.769 5.760 308 HE1 PHE 42 HE1 PHE 42 3.036 -14.791 2.499 309 HE2 PHE 42 HE2 PHE 42 4.442 -11.370 4.620 310 HZ PHE 42 HZ PHE 42 2.900 -12.381 2.987 311 H GLY 43 H GLY 43 8.641 -15.458 7.084 312 HA2 GLY 43 HA2 GLY 43 10.287 -16.505 8.388 313 HA3 GLY 43 HA3 GLY 43 9.125 -17.753 8.812 314 H PHE 44 H PHE 44 9.893 -16.679 5.547 315 HA PHE 44 HA PHE 44 10.453 -19.398 4.768 316 HB2 PHE 44 HB2 PHE 44 10.488 -18.586 2.523 317 HB3 PHE 44 HB3 PHE 44 9.185 -17.738 3.348 318 HD1 PHE 44 HD1 PHE 44 12.427 -17.432 1.739 319 HD2 PHE 44 HD2 PHE 44 9.415 -15.374 3.931 320 HE1 PHE 44 HE1 PHE 44 13.412 -15.279 1.065 321 HE2 PHE 44 HE2 PHE 44 10.394 -13.219 3.261 322 HZ PHE 44 HZ PHE 44 12.394 -13.169 1.825 Start of MODEL 18 1 H MET 1 H MET 1 0.374 -6.625 -3.558 2 HA MET 1 HA MET 1 2.892 -7.745 -2.675 3 HB2 MET 1 HB2 MET 1 4.208 -6.697 -4.470 4 HB3 MET 1 HB3 MET 1 3.123 -7.933 -5.092 5 HG2 MET 1 HG2 MET 1 2.155 -5.132 -5.069 6 HG3 MET 1 HG3 MET 1 3.389 -5.571 -6.247 7 HE1 MET 1 HE1 MET 1 -0.799 -5.608 -6.897 8 HE2 MET 1 HE2 MET 1 -0.653 -6.478 -5.369 9 HE3 MET 1 HE3 MET 1 0.146 -4.919 -5.577 10 H THR 2 H THR 2 4.369 -6.143 -1.886 11 HA THR 2 HA THR 2 3.056 -3.571 -1.295 12 HB THR 2 HB THR 2 3.274 -4.752 0.758 13 HG1 THR 2 HG1 THR 2 5.567 -3.074 0.691 14 HG21 THR 2 HG21 THR 2 5.853 -5.298 1.343 15 HG22 THR 2 HG22 THR 2 5.854 -5.603 -0.394 16 HG23 THR 2 HG23 THR 2 4.737 -6.476 0.655 17 H GLY 3 H GLY 3 5.446 -4.919 -3.107 18 HA2 GLY 3 HA2 GLY 3 7.251 -4.060 -4.233 19 HA3 GLY 3 HA3 GLY 3 6.597 -2.473 -3.853 20 H LEU 4 H LEU 4 7.252 -4.459 -1.153 21 HA LEU 4 HA LEU 4 9.569 -2.785 -0.506 22 HB2 LEU 4 HB2 LEU 4 7.584 -4.322 1.112 23 HB3 LEU 4 HB3 LEU 4 9.161 -3.940 1.801 24 HG LEU 4 HG LEU 4 7.189 -1.900 0.775 25 HD11 LEU 4 HD11 LEU 4 6.493 -1.517 2.951 26 HD12 LEU 4 HD12 LEU 4 7.881 -2.348 3.651 27 HD13 LEU 4 HD13 LEU 4 6.596 -3.276 2.878 28 HD21 LEU 4 HD21 LEU 4 9.389 -1.027 0.609 29 HD22 LEU 4 HD22 LEU 4 9.842 -1.684 2.182 30 HD23 LEU 4 HD23 LEU 4 8.686 -0.354 2.080 31 H ALA 5 H ALA 5 8.536 -6.186 -0.231 32 HA ALA 5 HA ALA 5 11.375 -6.959 -0.428 33 HB1 ALA 5 HB1 ALA 5 9.227 -8.613 0.875 34 HB2 ALA 5 HB2 ALA 5 10.976 -8.821 0.972 35 HB3 ALA 5 HB3 ALA 5 10.206 -7.444 1.761 36 H GLU 6 H GLU 6 8.275 -7.166 -1.825 37 HA GLU 6 HA GLU 6 8.512 -9.660 -3.151 38 HB2 GLU 6 HB2 GLU 6 6.746 -7.281 -3.367 39 HB3 GLU 6 HB3 GLU 6 6.822 -8.349 -4.762 40 HG2 GLU 6 HG2 GLU 6 6.444 -9.677 -2.166 41 HG3 GLU 6 HG3 GLU 6 5.112 -8.658 -2.708 42 H ALA 7 H ALA 7 9.098 -6.320 -4.221 43 HA ALA 7 HA ALA 7 9.816 -6.780 -6.842 44 HB1 ALA 7 HB1 ALA 7 10.436 -4.621 -6.868 45 HB2 ALA 7 HB2 ALA 7 9.758 -4.595 -5.240 46 HB3 ALA 7 HB3 ALA 7 11.495 -4.800 -5.469 47 H ILE 8 H ILE 8 11.708 -7.266 -3.925 48 HA ILE 8 HA ILE 8 14.161 -7.777 -5.339 49 HB ILE 8 HB ILE 8 13.427 -8.325 -2.460 50 HG12 ILE 8 HG12 ILE 8 15.119 -6.301 -2.267 51 HG13 ILE 8 HG13 ILE 8 14.569 -5.970 -3.906 52 HG21 ILE 8 HG21 ILE 8 16.148 -8.273 -3.759 53 HG22 ILE 8 HG22 ILE 8 15.796 -8.587 -2.060 54 HG23 ILE 8 HG23 ILE 8 15.274 -9.732 -3.295 55 HD11 ILE 8 HD11 ILE 8 12.368 -6.482 -2.095 56 HD12 ILE 8 HD12 ILE 8 13.374 -5.129 -1.577 57 HD13 ILE 8 HD13 ILE 8 12.650 -5.125 -3.185 58 H ALA 9 H ALA 9 11.535 -9.679 -4.004 59 HA ALA 9 HA ALA 9 12.885 -12.197 -4.372 60 HB1 ALA 9 HB1 ALA 9 10.043 -12.482 -4.121 61 HB2 ALA 9 HB2 ALA 9 11.316 -12.939 -2.989 62 HB3 ALA 9 HB3 ALA 9 10.638 -11.311 -2.944 63 H ASN 10 H ASN 10 11.664 -10.059 -6.516 64 HA ASN 10 HA ASN 10 10.290 -11.909 -8.262 65 HB2 ASN 10 HB2 ASN 10 9.995 -9.276 -7.944 66 HB3 ASN 10 HB3 ASN 10 11.192 -9.242 -9.235 67 HD21 ASN 10 HD21 ASN 10 10.423 -9.243 -11.212 68 HD22 ASN 10 HD22 ASN 10 8.876 -9.835 -11.705 69 H THR 11 H THR 11 13.496 -11.043 -7.646 70 HA THR 11 HA THR 11 14.353 -12.040 -10.284 71 HB THR 11 HB THR 11 15.100 -9.743 -9.866 72 HG1 THR 11 HG1 THR 11 17.437 -11.272 -9.556 73 HG21 THR 11 HG21 THR 11 16.760 -9.308 -8.080 74 HG22 THR 11 HG22 THR 11 16.479 -10.934 -7.458 75 HG23 THR 11 HG23 THR 11 15.176 -9.747 -7.444 76 H VAL 12 H VAL 12 14.515 -12.474 -6.856 77 HA VAL 12 HA VAL 12 16.809 -14.035 -6.596 78 HB VAL 12 HB VAL 12 15.853 -14.917 -4.558 79 HG11 VAL 12 HG11 VAL 12 15.743 -12.076 -5.230 80 HG12 VAL 12 HG12 VAL 12 14.760 -12.516 -3.832 81 HG13 VAL 12 HG13 VAL 12 16.484 -12.888 -3.852 82 HG21 VAL 12 HG21 VAL 12 13.421 -14.090 -4.059 83 HG22 VAL 12 HG22 VAL 12 13.282 -14.070 -5.817 84 HG23 VAL 12 HG23 VAL 12 13.686 -15.570 -4.981 85 H GLN 13 H GLN 13 13.771 -14.770 -8.043 86 HA GLN 13 HA GLN 13 13.570 -17.507 -7.780 87 HB2 GLN 13 HB2 GLN 13 12.933 -15.768 -10.166 88 HB3 GLN 13 HB3 GLN 13 12.454 -17.455 -10.029 89 HG2 GLN 13 HG2 GLN 13 11.526 -16.403 -7.686 90 HG3 GLN 13 HG3 GLN 13 11.300 -15.067 -8.815 91 HE21 GLN 13 HE21 GLN 13 9.077 -15.215 -8.788 92 HE22 GLN 13 HE22 GLN 13 8.218 -16.518 -9.528 93 H ALA 14 H ALA 14 15.543 -15.655 -10.059 94 HA ALA 14 HA ALA 14 16.868 -18.166 -10.851 95 HB1 ALA 14 HB1 ALA 14 16.748 -17.517 -12.971 96 HB2 ALA 14 HB2 ALA 14 15.741 -16.166 -12.446 97 HB3 ALA 14 HB3 ALA 14 17.486 -15.961 -12.590 98 H ALA 15 H ALA 15 17.323 -14.903 -9.677 99 HA ALA 15 HA ALA 15 20.176 -14.915 -9.874 100 HB1 ALA 15 HB1 ALA 15 18.628 -12.884 -9.766 101 HB2 ALA 15 HB2 ALA 15 18.596 -13.160 -8.023 102 HB3 ALA 15 HB3 ALA 15 20.124 -12.820 -8.834 103 H GLN 16 H GLN 16 17.849 -15.545 -7.281 104 HA GLN 16 HA GLN 16 18.091 -16.397 -5.179 105 HB2 GLN 16 HB2 GLN 16 20.383 -17.946 -6.385 106 HB3 GLN 16 HB3 GLN 16 19.377 -18.414 -5.020 107 HG2 GLN 16 HG2 GLN 16 17.458 -18.647 -6.485 108 HG3 GLN 16 HG3 GLN 16 18.425 -18.116 -7.860 109 HE21 GLN 16 HE21 GLN 16 17.672 -20.185 -8.742 110 HE22 GLN 16 HE22 GLN 16 18.580 -21.611 -8.387 111 H GLN 17 H GLN 17 19.511 -13.957 -5.682 112 HA GLN 17 HA GLN 17 20.928 -12.569 -4.564 113 HB2 GLN 17 HB2 GLN 17 21.645 -14.846 -2.732 114 HB3 GLN 17 HB3 GLN 17 21.662 -13.121 -2.388 115 HG2 GLN 17 HG2 GLN 17 19.205 -13.093 -2.551 116 HG3 GLN 17 HG3 GLN 17 19.226 -14.838 -2.806 117 HE21 GLN 17 HE21 GLN 17 21.017 -12.729 -0.591 118 HE22 GLN 17 HE22 GLN 17 20.517 -13.532 0.854 119 H HIS 18 H HIS 18 21.823 -13.998 -6.825 120 HA HIS 18 HA HIS 18 24.542 -14.852 -6.246 121 HB2 HIS 18 HB2 HIS 18 22.755 -14.932 -8.640 122 HB3 HIS 18 HB3 HIS 18 24.497 -15.017 -8.884 123 HD1 HIS 18 HD1 HIS 18 22.167 -17.311 -9.212 124 HD2 HIS 18 HD2 HIS 18 25.149 -17.037 -6.333 125 HE1 HIS 18 HE1 HIS 18 22.495 -19.654 -8.360 126 H ASP 19 H ASP 19 23.261 -12.714 -8.790 127 HA ASP 19 HA ASP 19 25.650 -11.279 -9.116 128 HB2 ASP 19 HB2 ASP 19 23.451 -11.440 -10.587 129 HB3 ASP 19 HB3 ASP 19 23.036 -9.967 -9.715 130 H SER 20 H SER 20 23.050 -10.940 -6.852 131 HA SER 20 HA SER 20 23.392 -8.256 -6.111 132 HB2 SER 20 HB2 SER 20 22.104 -8.771 -4.168 133 HB3 SER 20 HB3 SER 20 21.483 -9.798 -5.460 134 HG SER 20 HG SER 20 23.091 -11.384 -4.552 135 H VAL 21 H VAL 21 25.049 -11.189 -5.112 136 HA VAL 21 HA VAL 21 26.413 -10.224 -2.879 137 HB VAL 21 HB VAL 21 27.370 -12.261 -4.896 138 HG11 VAL 21 HG11 VAL 21 29.275 -11.735 -3.682 139 HG12 VAL 21 HG12 VAL 21 28.370 -11.445 -2.195 140 HG13 VAL 21 HG13 VAL 21 28.604 -13.093 -2.779 141 HG21 VAL 21 HG21 VAL 21 25.816 -13.618 -4.079 142 HG22 VAL 21 HG22 VAL 21 26.491 -13.422 -2.461 143 HG23 VAL 21 HG23 VAL 21 25.229 -12.329 -3.028 144 H LYS 22 H LYS 22 26.908 -9.628 -6.251 145 HA LYS 22 HA LYS 22 29.502 -8.360 -5.713 146 HB2 LYS 22 HB2 LYS 22 28.965 -10.066 -7.670 147 HB3 LYS 22 HB3 LYS 22 28.393 -8.609 -8.472 148 HG2 LYS 22 HG2 LYS 22 31.087 -8.581 -7.210 149 HG3 LYS 22 HG3 LYS 22 30.868 -9.428 -8.743 150 HD2 LYS 22 HD2 LYS 22 29.635 -7.177 -9.393 151 HD3 LYS 22 HD3 LYS 22 30.673 -6.524 -8.123 152 HE2 LYS 22 HE2 LYS 22 32.629 -7.511 -9.279 153 HE3 LYS 22 HE3 LYS 22 31.559 -8.041 -10.576 154 HZ1 LYS 22 HZ1 LYS 22 32.189 -5.254 -9.784 155 HZ2 LYS 22 HZ2 LYS 22 30.941 -5.652 -10.854 156 HZ3 LYS 22 HZ3 LYS 22 32.544 -6.015 -11.253 157 H LEU 23 H LEU 23 26.230 -7.728 -6.760 158 HA LEU 23 HA LEU 23 26.542 -4.924 -6.233 159 HB2 LEU 23 HB2 LEU 23 27.319 -5.480 -8.681 160 HB3 LEU 23 HB3 LEU 23 25.585 -5.522 -8.993 161 HG LEU 23 HG LEU 23 26.564 -3.357 -9.569 162 HD11 LEU 23 HD11 LEU 23 24.963 -1.971 -8.450 163 HD12 LEU 23 HD12 LEU 23 24.805 -3.133 -7.133 164 HD13 LEU 23 HD13 LEU 23 24.226 -3.546 -8.747 165 HD21 LEU 23 HD21 LEU 23 27.168 -3.048 -6.633 166 HD22 LEU 23 HD22 LEU 23 27.524 -1.907 -7.930 167 HD23 LEU 23 HD23 LEU 23 28.377 -3.450 -7.854 168 H GLY 24 H GLY 24 24.860 -5.030 -4.812 169 HA2 GLY 24 HA2 GLY 24 22.250 -4.726 -5.738 170 HA3 GLY 24 HA3 GLY 24 22.437 -6.413 -5.284 171 H THR 25 H THR 25 23.412 -3.263 -3.922 172 HA THR 25 HA THR 25 23.334 -4.059 -1.247 173 HB THR 25 HB THR 25 24.427 -1.988 -1.957 174 HG1 THR 25 HG1 THR 25 23.188 -2.333 0.221 175 HG21 THR 25 HG21 THR 25 21.623 -0.953 -2.396 176 HG22 THR 25 HG22 THR 25 22.822 -1.266 -3.651 177 HG23 THR 25 HG23 THR 25 23.097 0.012 -2.467 178 H SER 26 H SER 26 20.784 -3.134 -3.413 179 HA SER 26 HA SER 26 18.861 -2.943 -1.214 180 HB2 SER 26 HB2 SER 26 18.415 -2.456 -4.168 181 HB3 SER 26 HB3 SER 26 17.305 -2.061 -2.856 182 HG SER 26 HG SER 26 18.638 -0.457 -2.197 183 H ILE 27 H ILE 27 20.133 -5.471 -2.092 184 HA ILE 27 HA ILE 27 17.655 -6.980 -2.501 185 HB ILE 27 HB ILE 27 20.197 -7.496 -4.047 186 HG12 ILE 27 HG12 ILE 27 18.225 -7.173 -5.893 187 HG13 ILE 27 HG13 ILE 27 17.699 -6.043 -4.651 188 HG21 ILE 27 HG21 ILE 27 19.478 -9.577 -4.309 189 HG22 ILE 27 HG22 ILE 27 18.074 -9.234 -3.300 190 HG23 ILE 27 HG23 ILE 27 17.994 -8.968 -5.041 191 HD11 ILE 27 HD11 ILE 27 19.005 -4.708 -5.976 192 HD12 ILE 27 HD12 ILE 27 20.169 -5.225 -4.755 193 HD13 ILE 27 HD13 ILE 27 20.149 -6.000 -6.339 194 H VAL 28 H VAL 28 21.091 -7.058 -1.654 195 HA VAL 28 HA VAL 28 20.978 -9.632 -0.423 196 HB VAL 28 HB VAL 28 23.208 -9.148 0.420 197 HG11 VAL 28 HG11 VAL 28 23.588 -7.955 -2.203 198 HG12 VAL 28 HG12 VAL 28 24.101 -9.528 -1.590 199 HG13 VAL 28 HG13 VAL 28 22.472 -9.320 -2.234 200 HG21 VAL 28 HG21 VAL 28 24.123 -6.818 -0.435 201 HG22 VAL 28 HG22 VAL 28 22.432 -6.355 -0.241 202 HG23 VAL 28 HG23 VAL 28 23.338 -6.982 1.136 203 H ASP 29 H ASP 29 20.330 -6.392 0.615 204 HA ASP 29 HA ASP 29 20.161 -7.281 3.413 205 HB2 ASP 29 HB2 ASP 29 20.181 -4.459 2.323 206 HB3 ASP 29 HB3 ASP 29 20.213 -4.919 4.023 207 H ILE 30 H ILE 30 18.177 -7.918 1.383 208 HA ILE 30 HA ILE 30 15.860 -6.607 2.636 209 HB ILE 30 HB ILE 30 16.110 -7.284 -0.298 210 HG12 ILE 30 HG12 ILE 30 17.364 -5.263 0.354 211 HG13 ILE 30 HG13 ILE 30 15.981 -4.869 -0.662 212 HG21 ILE 30 HG21 ILE 30 13.894 -7.274 -0.385 213 HG22 ILE 30 HG22 ILE 30 13.825 -7.048 1.362 214 HG23 ILE 30 HG23 ILE 30 13.866 -5.646 0.292 215 HD11 ILE 30 HD11 ILE 30 15.230 -4.784 2.103 216 HD12 ILE 30 HD12 ILE 30 16.647 -3.774 1.815 217 HD13 ILE 30 HD13 ILE 30 15.174 -3.512 0.882 218 H VAL 31 H VAL 31 17.114 -9.417 0.904 219 HA VAL 31 HA VAL 31 14.775 -11.013 1.449 220 HB VAL 31 HB VAL 31 16.060 -12.870 0.465 221 HG11 VAL 31 HG11 VAL 31 14.790 -11.363 -0.982 222 HG12 VAL 31 HG12 VAL 31 16.205 -10.320 -1.142 223 HG13 VAL 31 HG13 VAL 31 16.238 -11.960 -1.792 224 HG21 VAL 31 HG21 VAL 31 18.278 -10.981 0.875 225 HG22 VAL 31 HG22 VAL 31 18.278 -12.745 0.848 226 HG23 VAL 31 HG23 VAL 31 18.290 -11.840 -0.666 227 H ALA 32 H ALA 32 17.792 -10.339 2.990 228 HA ALA 32 HA ALA 32 17.285 -12.491 4.940 229 HB1 ALA 32 HB1 ALA 32 19.905 -11.160 4.263 230 HB2 ALA 32 HB2 ALA 32 19.670 -12.428 5.467 231 HB3 ALA 32 HB3 ALA 32 19.399 -12.773 3.759 232 H ASN 33 H ASN 33 18.010 -9.090 4.488 233 HA ASN 33 HA ASN 33 17.909 -8.626 7.375 234 HB2 ASN 33 HB2 ASN 33 19.004 -7.167 5.047 235 HB3 ASN 33 HB3 ASN 33 18.303 -6.162 6.312 236 HD21 ASN 33 HD21 ASN 33 19.455 -5.769 8.088 237 HD22 ASN 33 HD22 ASN 33 20.966 -6.510 8.476 238 H GLY 34 H GLY 34 16.501 -7.129 4.451 239 HA2 GLY 34 HA2 GLY 34 14.509 -5.673 5.756 240 HA3 GLY 34 HA3 GLY 34 14.438 -6.195 4.079 241 H VAL 35 H VAL 35 14.635 -9.052 4.943 242 HA VAL 35 HA VAL 35 11.891 -9.643 4.982 243 HB VAL 35 HB VAL 35 13.733 -11.184 4.222 244 HG11 VAL 35 HG11 VAL 35 14.797 -12.611 5.885 245 HG12 VAL 35 HG12 VAL 35 15.198 -10.916 6.168 246 HG13 VAL 35 HG13 VAL 35 13.996 -11.720 7.179 247 HG21 VAL 35 HG21 VAL 35 12.534 -13.184 5.606 248 HG22 VAL 35 HG22 VAL 35 11.359 -11.884 5.807 249 HG23 VAL 35 HG23 VAL 35 11.838 -12.397 4.189 250 H GLY 36 H GLY 36 14.108 -8.907 7.524 251 HA2 GLY 36 HA2 GLY 36 12.729 -10.181 9.659 252 HA3 GLY 36 HA3 GLY 36 13.904 -8.884 9.815 253 H LEU 37 H LEU 37 11.871 -7.542 7.765 254 HA LEU 37 HA LEU 37 10.449 -6.128 9.866 255 HB2 LEU 37 HB2 LEU 37 11.556 -5.385 7.442 256 HB3 LEU 37 HB3 LEU 37 9.820 -5.351 7.138 257 HG LEU 37 HG LEU 37 9.788 -3.931 9.352 258 HD11 LEU 37 HD11 LEU 37 11.700 -2.941 10.026 259 HD12 LEU 37 HD12 LEU 37 12.378 -2.888 8.399 260 HD13 LEU 37 HD13 LEU 37 12.431 -4.386 9.327 261 HD21 LEU 37 HD21 LEU 37 10.735 -2.812 6.715 262 HD22 LEU 37 HD22 LEU 37 9.935 -1.912 8.004 263 HD23 LEU 37 HD23 LEU 37 9.061 -3.176 7.136 264 H LEU 38 H LEU 38 9.755 -8.211 7.113 265 HA LEU 38 HA LEU 38 6.896 -8.131 7.770 266 HB2 LEU 38 HB2 LEU 38 6.440 -8.557 5.609 267 HB3 LEU 38 HB3 LEU 38 8.061 -7.907 5.369 268 HG LEU 38 HG LEU 38 7.360 -10.839 5.525 269 HD11 LEU 38 HD11 LEU 38 7.248 -8.939 3.360 270 HD12 LEU 38 HD12 LEU 38 6.744 -10.628 3.403 271 HD13 LEU 38 HD13 LEU 38 8.417 -10.216 3.026 272 HD21 LEU 38 HD21 LEU 38 9.898 -9.334 5.459 273 HD22 LEU 38 HD22 LEU 38 9.789 -10.730 4.387 274 HD23 LEU 38 HD23 LEU 38 9.537 -10.928 6.122 275 H GLY 39 H GLY 39 9.551 -9.866 8.588 276 HA2 GLY 39 HA2 GLY 39 8.742 -12.550 8.294 277 HA3 GLY 39 HA3 GLY 39 9.895 -11.954 9.479 278 H LYS 40 H LYS 40 7.877 -10.111 10.632 279 HA LYS 40 HA LYS 40 6.666 -12.042 12.428 280 HB2 LYS 40 HB2 LYS 40 6.889 -9.035 12.462 281 HB3 LYS 40 HB3 LYS 40 5.935 -9.921 13.644 282 HG2 LYS 40 HG2 LYS 40 8.881 -10.313 13.165 283 HG3 LYS 40 HG3 LYS 40 8.181 -9.338 14.459 284 HD2 LYS 40 HD2 LYS 40 6.931 -11.450 15.149 285 HD3 LYS 40 HD3 LYS 40 8.021 -12.316 14.064 286 HE2 LYS 40 HE2 LYS 40 9.096 -10.467 16.162 287 HE3 LYS 40 HE3 LYS 40 8.629 -12.116 16.573 288 HZ1 LYS 40 HZ1 LYS 40 10.834 -12.362 16.050 289 HZ2 LYS 40 HZ2 LYS 40 10.809 -11.183 14.837 290 HZ3 LYS 40 HZ3 LYS 40 10.122 -12.703 14.553 291 H LEU 41 H LEU 41 5.728 -9.884 9.871 292 HA LEU 41 HA LEU 41 2.950 -9.794 10.454 293 HB2 LEU 41 HB2 LEU 41 4.678 -9.109 8.140 294 HB3 LEU 41 HB3 LEU 41 2.957 -9.329 7.836 295 HG LEU 41 HG LEU 41 3.786 -7.495 10.031 296 HD11 LEU 41 HD11 LEU 41 3.587 -5.780 7.951 297 HD12 LEU 41 HD12 LEU 41 4.420 -7.132 7.185 298 HD13 LEU 41 HD13 LEU 41 5.114 -6.366 8.614 299 HD21 LEU 41 HD21 LEU 41 1.399 -8.159 9.407 300 HD22 LEU 41 HD22 LEU 41 1.627 -7.158 7.972 301 HD23 LEU 41 HD23 LEU 41 1.747 -6.438 9.579 302 H PHE 42 H PHE 42 5.004 -12.071 8.819 303 HA PHE 42 HA PHE 42 2.630 -13.676 8.131 304 HB2 PHE 42 HB2 PHE 42 5.320 -13.547 6.758 305 HB3 PHE 42 HB3 PHE 42 4.086 -14.748 6.390 306 HD1 PHE 42 HD1 PHE 42 2.488 -14.303 4.779 307 HD2 PHE 42 HD2 PHE 42 4.631 -11.072 6.536 308 HE1 PHE 42 HE1 PHE 42 1.454 -12.749 3.175 309 HE2 PHE 42 HE2 PHE 42 3.601 -9.514 4.935 310 HZ PHE 42 HZ PHE 42 2.010 -10.351 3.253 311 H GLY 43 H GLY 43 6.120 -14.320 8.490 312 HA2 GLY 43 HA2 GLY 43 6.453 -15.553 10.788 313 HA3 GLY 43 HA3 GLY 43 5.455 -16.751 9.979 314 H PHE 44 H PHE 44 8.576 -15.205 10.083 315 HA PHE 44 HA PHE 44 9.632 -17.367 8.392 316 HB2 PHE 44 HB2 PHE 44 10.299 -14.428 8.286 317 HB3 PHE 44 HB3 PHE 44 11.367 -15.658 7.619 318 HD1 PHE 44 HD1 PHE 44 9.563 -17.530 6.362 319 HD2 PHE 44 HD2 PHE 44 9.376 -13.281 6.518 320 HE1 PHE 44 HE1 PHE 44 8.275 -17.513 4.265 321 HE2 PHE 44 HE2 PHE 44 8.087 -13.257 4.423 322 HZ PHE 44 HZ PHE 44 7.534 -15.375 3.294 Start of MODEL 19 1 H MET 1 H MET 1 3.953 2.559 0.090 2 HA MET 1 HA MET 1 2.493 1.520 -2.173 3 HB2 MET 1 HB2 MET 1 4.295 3.438 -2.073 4 HB3 MET 1 HB3 MET 1 5.424 2.103 -2.261 5 HG2 MET 1 HG2 MET 1 5.061 2.823 -4.430 6 HG3 MET 1 HG3 MET 1 3.994 1.430 -4.273 7 HE1 MET 1 HE1 MET 1 4.551 5.014 -4.098 8 HE2 MET 1 HE2 MET 1 3.433 5.553 -5.351 9 HE3 MET 1 HE3 MET 1 2.993 5.708 -3.650 10 H THR 2 H THR 2 2.567 -0.489 -2.955 11 HA THR 2 HA THR 2 3.944 -2.538 -1.519 12 HB THR 2 HB THR 2 1.748 -2.939 -2.567 13 HG1 THR 2 HG1 THR 2 3.736 -4.589 -3.763 14 HG21 THR 2 HG21 THR 2 3.057 -1.855 -4.865 15 HG22 THR 2 HG22 THR 2 1.358 -2.281 -4.658 16 HG23 THR 2 HG23 THR 2 2.506 -3.489 -5.235 17 H GLY 3 H GLY 3 5.310 -4.187 -2.643 18 HA2 GLY 3 HA2 GLY 3 6.870 -4.743 -4.367 19 HA3 GLY 3 HA3 GLY 3 6.951 -3.041 -4.797 20 H LEU 4 H LEU 4 7.081 -3.962 -1.459 21 HA LEU 4 HA LEU 4 9.658 -2.748 -1.159 22 HB2 LEU 4 HB2 LEU 4 7.660 -4.007 0.653 23 HB3 LEU 4 HB3 LEU 4 9.313 -3.806 1.231 24 HG LEU 4 HG LEU 4 7.800 -1.472 0.121 25 HD11 LEU 4 HD11 LEU 4 7.046 -0.948 2.395 26 HD12 LEU 4 HD12 LEU 4 7.648 -2.511 2.947 27 HD13 LEU 4 HD13 LEU 4 6.323 -2.437 1.786 28 HD21 LEU 4 HD21 LEU 4 10.207 -1.940 1.810 29 HD22 LEU 4 HD22 LEU 4 9.275 -0.462 2.050 30 HD23 LEU 4 HD23 LEU 4 9.968 -0.821 0.468 31 H ALA 5 H ALA 5 8.408 -6.057 -0.803 32 HA ALA 5 HA ALA 5 11.186 -7.028 -0.980 33 HB1 ALA 5 HB1 ALA 5 9.001 -8.683 0.208 34 HB2 ALA 5 HB2 ALA 5 10.739 -8.738 0.504 35 HB3 ALA 5 HB3 ALA 5 9.773 -7.421 1.170 36 H GLU 6 H GLU 6 7.902 -7.352 -2.128 37 HA GLU 6 HA GLU 6 8.018 -9.727 -3.532 38 HB2 GLU 6 HB2 GLU 6 6.500 -7.186 -3.873 39 HB3 GLU 6 HB3 GLU 6 6.466 -8.346 -5.194 40 HG2 GLU 6 HG2 GLU 6 5.724 -10.071 -3.540 41 HG3 GLU 6 HG3 GLU 6 5.559 -8.771 -2.361 42 H ALA 7 H ALA 7 8.938 -6.483 -4.661 43 HA ALA 7 HA ALA 7 9.690 -7.170 -7.256 44 HB1 ALA 7 HB1 ALA 7 10.197 -5.008 -7.417 45 HB2 ALA 7 HB2 ALA 7 9.681 -4.863 -5.736 46 HB3 ALA 7 HB3 ALA 7 11.385 -5.110 -6.117 47 H ILE 8 H ILE 8 11.484 -7.346 -4.231 48 HA ILE 8 HA ILE 8 13.984 -7.998 -5.459 49 HB ILE 8 HB ILE 8 13.147 -8.500 -2.603 50 HG12 ILE 8 HG12 ILE 8 12.805 -6.156 -3.118 51 HG13 ILE 8 HG13 ILE 8 14.251 -6.322 -2.128 52 HG21 ILE 8 HG21 ILE 8 15.919 -7.991 -3.634 53 HG22 ILE 8 HG22 ILE 8 15.426 -8.676 -2.086 54 HG23 ILE 8 HG23 ILE 8 15.232 -9.614 -3.567 55 HD11 ILE 8 HD11 ILE 8 13.950 -5.130 -4.701 56 HD12 ILE 8 HD12 ILE 8 15.361 -5.162 -3.642 57 HD13 ILE 8 HD13 ILE 8 15.097 -6.466 -4.800 58 H ALA 9 H ALA 9 11.284 -9.821 -4.153 59 HA ALA 9 HA ALA 9 12.646 -12.356 -4.331 60 HB1 ALA 9 HB1 ALA 9 9.813 -12.665 -4.159 61 HB2 ALA 9 HB2 ALA 9 11.043 -12.995 -2.938 62 HB3 ALA 9 HB3 ALA 9 10.326 -11.388 -3.055 63 H ASN 10 H ASN 10 11.514 -10.338 -6.628 64 HA ASN 10 HA ASN 10 10.193 -12.278 -8.318 65 HB2 ASN 10 HB2 ASN 10 9.865 -9.647 -8.157 66 HB3 ASN 10 HB3 ASN 10 11.139 -9.652 -9.373 67 HD21 ASN 10 HD21 ASN 10 8.627 -8.682 -9.915 68 HD22 ASN 10 HD22 ASN 10 7.842 -9.723 -11.048 69 H THR 11 H THR 11 13.380 -11.351 -7.652 70 HA THR 11 HA THR 11 14.324 -12.499 -10.198 71 HB THR 11 HB THR 11 15.058 -10.181 -9.874 72 HG1 THR 11 HG1 THR 11 17.360 -11.744 -9.418 73 HG21 THR 11 HG21 THR 11 15.085 -9.953 -7.502 74 HG22 THR 11 HG22 THR 11 16.747 -9.743 -8.052 75 HG23 THR 11 HG23 THR 11 16.245 -11.269 -7.325 76 H VAL 12 H VAL 12 14.378 -12.743 -6.745 77 HA VAL 12 HA VAL 12 16.657 -14.290 -6.328 78 HB VAL 12 HB VAL 12 15.636 -15.058 -4.277 79 HG11 VAL 12 HG11 VAL 12 15.568 -12.263 -5.106 80 HG12 VAL 12 HG12 VAL 12 14.512 -12.614 -3.736 81 HG13 VAL 12 HG13 VAL 12 16.232 -12.997 -3.647 82 HG21 VAL 12 HG21 VAL 12 13.193 -14.224 -3.892 83 HG22 VAL 12 HG22 VAL 12 13.104 -14.272 -5.653 84 HG23 VAL 12 HG23 VAL 12 13.483 -15.738 -4.749 85 H GLN 13 H GLN 13 13.678 -15.098 -7.848 86 HA GLN 13 HA GLN 13 13.433 -17.809 -7.441 87 HB2 GLN 13 HB2 GLN 13 13.029 -16.419 -10.093 88 HB3 GLN 13 HB3 GLN 13 12.274 -17.915 -9.560 89 HG2 GLN 13 HG2 GLN 13 11.311 -16.481 -7.647 90 HG3 GLN 13 HG3 GLN 13 11.736 -15.113 -8.674 91 HE21 GLN 13 HE21 GLN 13 9.381 -14.781 -8.555 92 HE22 GLN 13 HE22 GLN 13 8.383 -15.590 -9.710 93 H ALA 14 H ALA 14 15.541 -16.127 -9.735 94 HA ALA 14 HA ALA 14 16.923 -18.685 -10.220 95 HB1 ALA 14 HB1 ALA 14 17.201 -18.191 -12.420 96 HB2 ALA 14 HB2 ALA 14 15.707 -17.298 -12.132 97 HB3 ALA 14 HB3 ALA 14 17.254 -16.451 -12.139 98 H ALA 15 H ALA 15 17.183 -15.486 -9.045 99 HA ALA 15 HA ALA 15 20.057 -15.311 -9.325 100 HB1 ALA 15 HB1 ALA 15 18.663 -13.297 -9.458 101 HB2 ALA 15 HB2 ALA 15 18.161 -13.543 -7.784 102 HB3 ALA 15 HB3 ALA 15 19.848 -13.191 -8.156 103 H GLN 16 H GLN 16 17.715 -16.041 -6.798 104 HA GLN 16 HA GLN 16 17.942 -16.786 -4.655 105 HB2 GLN 16 HB2 GLN 16 20.477 -18.069 -5.672 106 HB3 GLN 16 HB3 GLN 16 19.462 -18.614 -4.343 107 HG2 GLN 16 HG2 GLN 16 17.651 -19.072 -5.942 108 HG3 GLN 16 HG3 GLN 16 18.719 -18.588 -7.259 109 HE21 GLN 16 HE21 GLN 16 17.602 -21.046 -7.313 110 HE22 GLN 16 HE22 GLN 16 18.795 -22.258 -7.011 111 H GLN 17 H GLN 17 19.193 -14.220 -5.316 112 HA GLN 17 HA GLN 17 20.399 -12.616 -4.242 113 HB2 GLN 17 HB2 GLN 17 21.023 -14.595 -2.065 114 HB3 GLN 17 HB3 GLN 17 20.867 -12.847 -1.945 115 HG2 GLN 17 HG2 GLN 17 18.474 -13.014 -2.320 116 HG3 GLN 17 HG3 GLN 17 18.613 -14.762 -2.501 117 HE21 GLN 17 HE21 GLN 17 17.052 -14.859 -0.777 118 HE22 GLN 17 HE22 GLN 17 17.577 -14.720 0.863 119 H HIS 18 H HIS 18 21.670 -14.059 -6.217 120 HA HIS 18 HA HIS 18 24.366 -14.580 -5.185 121 HB2 HIS 18 HB2 HIS 18 22.892 -15.398 -7.658 122 HB3 HIS 18 HB3 HIS 18 24.652 -15.345 -7.686 123 HD1 HIS 18 HD1 HIS 18 21.945 -17.567 -6.964 124 HD2 HIS 18 HD2 HIS 18 25.764 -16.991 -5.433 125 HE1 HIS 18 HE1 HIS 18 22.509 -19.694 -5.747 126 H ASP 19 H ASP 19 23.228 -13.295 -8.299 127 HA ASP 19 HA ASP 19 25.430 -11.694 -8.804 128 HB2 ASP 19 HB2 ASP 19 24.232 -10.806 -10.588 129 HB3 ASP 19 HB3 ASP 19 23.402 -12.335 -10.314 130 H SER 20 H SER 20 22.565 -11.018 -6.901 131 HA SER 20 HA SER 20 22.858 -8.238 -6.655 132 HB2 SER 20 HB2 SER 20 20.836 -8.742 -5.773 133 HB3 SER 20 HB3 SER 20 21.347 -10.360 -5.290 134 HG SER 20 HG SER 20 22.025 -9.603 -3.392 135 H VAL 21 H VAL 21 24.462 -10.892 -5.073 136 HA VAL 21 HA VAL 21 25.454 -9.696 -2.784 137 HB VAL 21 HB VAL 21 26.867 -11.678 -4.574 138 HG11 VAL 21 HG11 VAL 21 27.443 -10.683 -1.805 139 HG12 VAL 21 HG12 VAL 21 27.964 -12.285 -2.330 140 HG13 VAL 21 HG13 VAL 21 28.540 -10.849 -3.176 141 HG21 VAL 21 HG21 VAL 21 25.353 -13.146 -3.880 142 HG22 VAL 21 HG22 VAL 21 25.870 -12.869 -2.217 143 HG23 VAL 21 HG23 VAL 21 24.561 -11.909 -2.905 144 H LYS 22 H LYS 22 26.388 -9.232 -6.103 145 HA LYS 22 HA LYS 22 28.534 -7.413 -5.224 146 HB2 LYS 22 HB2 LYS 22 29.106 -9.489 -6.657 147 HB3 LYS 22 HB3 LYS 22 28.365 -8.600 -7.981 148 HG2 LYS 22 HG2 LYS 22 30.664 -8.175 -8.146 149 HG3 LYS 22 HG3 LYS 22 29.970 -6.718 -7.430 150 HD2 LYS 22 HD2 LYS 22 31.817 -7.076 -6.088 151 HD3 LYS 22 HD3 LYS 22 30.543 -7.883 -5.172 152 HE2 LYS 22 HE2 LYS 22 32.099 -9.448 -7.176 153 HE3 LYS 22 HE3 LYS 22 32.847 -9.065 -5.626 154 HZ1 LYS 22 HZ1 LYS 22 31.837 -11.019 -5.112 155 HZ2 LYS 22 HZ2 LYS 22 30.570 -10.806 -6.212 156 HZ3 LYS 22 HZ3 LYS 22 30.562 -9.970 -4.741 157 H LEU 23 H LEU 23 25.607 -7.766 -7.014 158 HA LEU 23 HA LEU 23 25.666 -4.896 -7.621 159 HB2 LEU 23 HB2 LEU 23 24.603 -6.959 -9.538 160 HB3 LEU 23 HB3 LEU 23 24.764 -5.225 -9.808 161 HG LEU 23 HG LEU 23 27.282 -6.623 -9.219 162 HD11 LEU 23 HD11 LEU 23 27.204 -7.225 -11.815 163 HD12 LEU 23 HD12 LEU 23 25.503 -7.473 -11.424 164 HD13 LEU 23 HD13 LEU 23 26.747 -8.372 -10.555 165 HD21 LEU 23 HD21 LEU 23 27.794 -4.558 -9.937 166 HD22 LEU 23 HD22 LEU 23 26.265 -4.364 -10.796 167 HD23 LEU 23 HD23 LEU 23 27.590 -5.259 -11.542 168 H GLY 24 H GLY 24 24.354 -4.861 -5.655 169 HA2 GLY 24 HA2 GLY 24 21.627 -4.591 -6.183 170 HA3 GLY 24 HA3 GLY 24 21.861 -6.177 -5.462 171 H THR 25 H THR 25 22.532 -2.732 -4.948 172 HA THR 25 HA THR 25 23.186 -2.997 -2.201 173 HB THR 25 HB THR 25 23.942 -1.038 -3.356 174 HG1 THR 25 HG1 THR 25 22.838 -0.945 -1.073 175 HG21 THR 25 HG21 THR 25 21.351 -1.074 -4.508 176 HG22 THR 25 HG22 THR 25 22.711 -0.024 -4.909 177 HG23 THR 25 HG23 THR 25 21.545 0.471 -3.682 178 H SER 26 H SER 26 20.184 -2.525 -3.941 179 HA SER 26 HA SER 26 18.719 -2.200 -1.426 180 HB2 SER 26 HB2 SER 26 16.807 -1.586 -2.819 181 HB3 SER 26 HB3 SER 26 18.216 -0.627 -3.269 182 HG SER 26 HG SER 26 16.850 -2.561 -4.703 183 H ILE 27 H ILE 27 19.927 -4.725 -2.827 184 HA ILE 27 HA ILE 27 17.490 -6.371 -2.630 185 HB ILE 27 HB ILE 27 20.028 -6.936 -4.167 186 HG12 ILE 27 HG12 ILE 27 18.141 -6.999 -6.033 187 HG13 ILE 27 HG13 ILE 27 17.316 -5.930 -4.904 188 HG21 ILE 27 HG21 ILE 27 18.266 -8.788 -5.022 189 HG22 ILE 27 HG22 ILE 27 19.443 -9.070 -3.740 190 HG23 ILE 27 HG23 ILE 27 17.781 -8.645 -3.333 191 HD11 ILE 27 HD11 ILE 27 19.756 -4.776 -5.000 192 HD12 ILE 27 HD12 ILE 27 19.627 -5.433 -6.633 193 HD13 ILE 27 HD13 ILE 27 18.394 -4.326 -6.027 194 H VAL 28 H VAL 28 20.830 -6.002 -1.639 195 HA VAL 28 HA VAL 28 20.932 -8.484 -0.194 196 HB VAL 28 HB VAL 28 23.070 -7.646 0.698 197 HG11 VAL 28 HG11 VAL 28 23.343 -6.929 -2.139 198 HG12 VAL 28 HG12 VAL 28 24.160 -8.178 -1.197 199 HG13 VAL 28 HG13 VAL 28 22.538 -8.467 -1.828 200 HG21 VAL 28 HG21 VAL 28 23.649 -5.385 -0.748 201 HG22 VAL 28 HG22 VAL 28 21.983 -5.107 -0.242 202 HG23 VAL 28 HG23 VAL 28 23.229 -5.430 0.964 203 H ASP 29 H ASP 29 19.822 -5.297 0.449 204 HA ASP 29 HA ASP 29 19.832 -5.756 3.344 205 HB2 ASP 29 HB2 ASP 29 19.030 -3.243 1.868 206 HB3 ASP 29 HB3 ASP 29 19.359 -3.409 3.591 207 H ILE 30 H ILE 30 18.004 -6.958 1.205 208 HA ILE 30 HA ILE 30 15.466 -6.229 2.515 209 HB ILE 30 HB ILE 30 15.862 -7.058 -0.362 210 HG12 ILE 30 HG12 ILE 30 16.505 -4.732 0.077 211 HG13 ILE 30 HG13 ILE 30 15.031 -4.804 -0.882 212 HG21 ILE 30 HG21 ILE 30 13.760 -7.774 -0.287 213 HG22 ILE 30 HG22 ILE 30 13.566 -7.201 1.369 214 HG23 ILE 30 HG23 ILE 30 13.265 -6.109 0.017 215 HD11 ILE 30 HD11 ILE 30 14.316 -4.732 1.866 216 HD12 ILE 30 HD12 ILE 30 15.480 -3.446 1.544 217 HD13 ILE 30 HD13 ILE 30 13.992 -3.546 0.602 218 H VAL 31 H VAL 31 17.343 -8.788 0.958 219 HA VAL 31 HA VAL 31 15.498 -10.868 1.650 220 HB VAL 31 HB VAL 31 17.257 -12.414 0.906 221 HG11 VAL 31 HG11 VAL 31 16.685 -10.044 -0.857 222 HG12 VAL 31 HG12 VAL 31 17.489 -11.504 -1.437 223 HG13 VAL 31 HG13 VAL 31 15.843 -11.593 -0.807 224 HG21 VAL 31 HG21 VAL 31 19.239 -10.949 -0.221 225 HG22 VAL 31 HG22 VAL 31 18.920 -10.013 1.239 226 HG23 VAL 31 HG23 VAL 31 19.350 -11.719 1.362 227 H ALA 32 H ALA 32 18.156 -9.305 3.211 228 HA ALA 32 HA ALA 32 18.071 -11.312 5.370 229 HB1 ALA 32 HB1 ALA 32 20.338 -9.443 4.686 230 HB2 ALA 32 HB2 ALA 32 20.337 -10.678 5.946 231 HB3 ALA 32 HB3 ALA 32 20.256 -11.150 4.249 232 H ASN 33 H ASN 33 18.194 -7.863 4.615 233 HA ASN 33 HA ASN 33 17.808 -7.140 7.402 234 HB2 ASN 33 HB2 ASN 33 18.830 -5.839 5.072 235 HB3 ASN 33 HB3 ASN 33 17.484 -4.888 5.693 236 HD21 ASN 33 HD21 ASN 33 20.594 -4.814 5.704 237 HD22 ASN 33 HD22 ASN 33 20.950 -4.330 7.324 238 H GLY 34 H GLY 34 16.081 -6.494 4.341 239 HA2 GLY 34 HA2 GLY 34 13.752 -5.474 5.544 240 HA3 GLY 34 HA3 GLY 34 13.858 -6.120 3.913 241 H VAL 35 H VAL 35 14.842 -8.726 5.107 242 HA VAL 35 HA VAL 35 12.392 -10.087 5.110 243 HB VAL 35 HB VAL 35 14.650 -11.098 4.646 244 HG11 VAL 35 HG11 VAL 35 15.102 -11.901 7.395 245 HG12 VAL 35 HG12 VAL 35 16.233 -11.248 6.208 246 HG13 VAL 35 HG13 VAL 35 15.247 -10.156 7.181 247 HG21 VAL 35 HG21 VAL 35 14.077 -13.285 5.678 248 HG22 VAL 35 HG22 VAL 35 12.825 -12.471 6.616 249 HG23 VAL 35 HG23 VAL 35 12.719 -12.516 4.857 250 H GLY 36 H GLY 36 13.983 -8.348 7.593 251 HA2 GLY 36 HA2 GLY 36 12.920 -9.748 9.839 252 HA3 GLY 36 HA3 GLY 36 13.602 -8.129 9.853 253 H LEU 37 H LEU 37 11.417 -7.841 7.535 254 HA LEU 37 HA LEU 37 9.439 -6.718 9.350 255 HB2 LEU 37 HB2 LEU 37 9.914 -6.510 6.394 256 HB3 LEU 37 HB3 LEU 37 8.434 -5.910 7.138 257 HG LEU 37 HG LEU 37 11.205 -4.964 7.859 258 HD11 LEU 37 HD11 LEU 37 11.100 -3.357 6.290 259 HD12 LEU 37 HD12 LEU 37 9.353 -3.172 6.441 260 HD13 LEU 37 HD13 LEU 37 10.020 -4.491 5.479 261 HD21 LEU 37 HD21 LEU 37 10.260 -3.670 9.422 262 HD22 LEU 37 HD22 LEU 37 8.900 -4.789 9.313 263 HD23 LEU 37 HD23 LEU 37 8.876 -3.279 8.400 264 H LEU 38 H LEU 38 9.780 -9.305 7.022 265 HA LEU 38 HA LEU 38 6.976 -10.074 7.474 266 HB2 LEU 38 HB2 LEU 38 6.868 -10.869 5.371 267 HB3 LEU 38 HB3 LEU 38 8.193 -9.735 5.115 268 HG LEU 38 HG LEU 38 8.495 -12.695 5.621 269 HD11 LEU 38 HD11 LEU 38 7.963 -11.179 3.221 270 HD12 LEU 38 HD12 LEU 38 8.013 -12.924 3.465 271 HD13 LEU 38 HD13 LEU 38 9.498 -12.041 3.115 272 HD21 LEU 38 HD21 LEU 38 10.387 -10.434 5.475 273 HD22 LEU 38 HD22 LEU 38 10.840 -11.890 4.588 274 HD23 LEU 38 HD23 LEU 38 10.519 -11.976 6.321 275 H GLY 39 H GLY 39 9.971 -10.710 8.631 276 HA2 GLY 39 HA2 GLY 39 10.229 -13.486 8.644 277 HA3 GLY 39 HA3 GLY 39 10.847 -12.414 9.893 278 H LYS 40 H LYS 40 9.248 -11.703 11.551 279 HA LYS 40 HA LYS 40 8.135 -13.848 12.885 280 HB2 LYS 40 HB2 LYS 40 8.535 -11.253 13.501 281 HB3 LYS 40 HB3 LYS 40 6.791 -11.236 13.276 282 HG2 LYS 40 HG2 LYS 40 6.416 -12.331 15.186 283 HG3 LYS 40 HG3 LYS 40 7.746 -13.459 14.913 284 HD2 LYS 40 HD2 LYS 40 8.258 -12.187 16.870 285 HD3 LYS 40 HD3 LYS 40 9.323 -11.634 15.576 286 HE2 LYS 40 HE2 LYS 40 8.409 -9.764 16.872 287 HE3 LYS 40 HE3 LYS 40 7.888 -9.712 15.189 288 HZ1 LYS 40 HZ1 LYS 40 6.258 -9.532 17.341 289 HZ2 LYS 40 HZ2 LYS 40 6.087 -11.156 16.901 290 HZ3 LYS 40 HZ3 LYS 40 5.762 -9.937 15.774 291 H LEU 41 H LEU 41 6.755 -11.861 10.375 292 HA LEU 41 HA LEU 41 4.043 -12.456 10.726 293 HB2 LEU 41 HB2 LEU 41 5.748 -11.467 8.539 294 HB3 LEU 41 HB3 LEU 41 4.236 -12.223 8.039 295 HG LEU 41 HG LEU 41 4.409 -9.935 9.995 296 HD11 LEU 41 HD11 LEU 41 5.035 -8.796 8.144 297 HD12 LEU 41 HD12 LEU 41 3.301 -8.837 7.828 298 HD13 LEU 41 HD13 LEU 41 4.368 -9.999 7.040 299 HD21 LEU 41 HD21 LEU 41 2.412 -11.486 10.040 300 HD22 LEU 41 HD22 LEU 41 2.042 -10.909 8.415 301 HD23 LEU 41 HD23 LEU 41 2.064 -9.779 9.769 302 H PHE 42 H PHE 42 6.496 -14.083 8.729 303 HA PHE 42 HA PHE 42 4.661 -16.370 8.474 304 HB2 PHE 42 HB2 PHE 42 7.006 -15.571 6.739 305 HB3 PHE 42 HB3 PHE 42 6.037 -17.023 6.514 306 HD1 PHE 42 HD1 PHE 42 3.988 -16.953 5.365 307 HD2 PHE 42 HD2 PHE 42 5.929 -13.330 6.470 308 HE1 PHE 42 HE1 PHE 42 2.413 -15.686 3.963 309 HE2 PHE 42 HE2 PHE 42 4.357 -12.057 5.070 310 HZ PHE 42 HZ PHE 42 2.595 -13.234 3.815 311 H GLY 43 H GLY 43 8.197 -16.052 8.217 312 HA2 GLY 43 HA2 GLY 43 9.177 -17.051 10.484 313 HA3 GLY 43 HA3 GLY 43 8.499 -18.503 9.762 314 H PHE 44 H PHE 44 10.224 -15.754 8.310 315 HA PHE 44 HA PHE 44 12.670 -17.094 7.939 316 HB2 PHE 44 HB2 PHE 44 12.442 -17.329 5.394 317 HB3 PHE 44 HB3 PHE 44 11.664 -18.555 6.389 318 HD1 PHE 44 HD1 PHE 44 9.553 -19.188 5.778 319 HD2 PHE 44 HD2 PHE 44 10.844 -15.227 4.909 320 HE1 PHE 44 HE1 PHE 44 7.409 -18.739 4.656 321 HE2 PHE 44 HE2 PHE 44 8.703 -14.771 3.786 322 HZ PHE 44 HZ PHE 44 6.982 -16.528 3.659 Start of MODEL 20 1 H MET 1 H MET 1 2.486 -0.758 1.252 2 HA MET 1 HA MET 1 2.083 -0.292 -1.568 3 HB2 MET 1 HB2 MET 1 4.081 0.506 0.476 4 HB3 MET 1 HB3 MET 1 4.637 0.447 -1.191 5 HG2 MET 1 HG2 MET 1 2.128 1.906 -0.486 6 HG3 MET 1 HG3 MET 1 3.703 2.654 -0.234 7 HE1 MET 1 HE1 MET 1 1.056 2.714 -3.510 8 HE2 MET 1 HE2 MET 1 1.075 3.131 -1.797 9 HE3 MET 1 HE3 MET 1 1.769 4.238 -2.982 10 H THR 2 H THR 2 2.172 -2.111 -2.770 11 HA THR 2 HA THR 2 3.797 -4.343 -2.279 12 HB THR 2 HB THR 2 1.796 -4.344 -3.771 13 HG1 THR 2 HG1 THR 2 4.063 -5.258 -5.208 14 HG21 THR 2 HG21 THR 2 3.456 -3.454 -6.062 15 HG22 THR 2 HG22 THR 2 2.839 -2.202 -4.984 16 HG23 THR 2 HG23 THR 2 1.721 -3.299 -5.792 17 H GLY 3 H GLY 3 5.492 -5.156 -3.837 18 HA2 GLY 3 HA2 GLY 3 7.357 -4.786 -5.226 19 HA3 GLY 3 HA3 GLY 3 7.126 -3.054 -5.037 20 H LEU 4 H LEU 4 6.852 -3.659 -2.027 21 HA LEU 4 HA LEU 4 9.359 -2.838 -1.217 22 HB2 LEU 4 HB2 LEU 4 7.065 -4.161 0.121 23 HB3 LEU 4 HB3 LEU 4 8.601 -4.125 0.986 24 HG LEU 4 HG LEU 4 7.273 -1.643 -0.083 25 HD11 LEU 4 HD11 LEU 4 6.507 -1.277 2.246 26 HD12 LEU 4 HD12 LEU 4 6.989 -2.930 2.627 27 HD13 LEU 4 HD13 LEU 4 5.712 -2.634 1.448 28 HD21 LEU 4 HD21 LEU 4 8.693 -0.747 1.908 29 HD22 LEU 4 HD22 LEU 4 9.470 -1.102 0.365 30 HD23 LEU 4 HD23 LEU 4 9.593 -2.249 1.700 31 H ALA 5 H ALA 5 8.075 -6.163 -1.154 32 HA ALA 5 HA ALA 5 10.859 -7.131 -1.071 33 HB1 ALA 5 HB1 ALA 5 8.418 -8.565 -0.034 34 HB2 ALA 5 HB2 ALA 5 10.098 -9.079 0.119 35 HB3 ALA 5 HB3 ALA 5 9.538 -7.636 0.964 36 H GLU 6 H GLU 6 7.778 -7.292 -2.655 37 HA GLU 6 HA GLU 6 8.006 -9.669 -4.080 38 HB2 GLU 6 HB2 GLU 6 6.561 -7.101 -4.496 39 HB3 GLU 6 HB3 GLU 6 6.686 -8.191 -5.869 40 HG2 GLU 6 HG2 GLU 6 5.824 -9.980 -4.202 41 HG3 GLU 6 HG3 GLU 6 5.287 -8.587 -3.264 42 H ALA 7 H ALA 7 9.333 -6.475 -4.769 43 HA ALA 7 HA ALA 7 10.271 -6.984 -7.365 44 HB1 ALA 7 HB1 ALA 7 11.544 -5.008 -7.158 45 HB2 ALA 7 HB2 ALA 7 10.088 -4.745 -6.198 46 HB3 ALA 7 HB3 ALA 7 11.610 -5.142 -5.401 47 H ILE 8 H ILE 8 12.045 -7.075 -4.270 48 HA ILE 8 HA ILE 8 14.457 -8.040 -5.313 49 HB ILE 8 HB ILE 8 13.314 -8.441 -2.547 50 HG12 ILE 8 HG12 ILE 8 15.265 -6.576 -2.298 51 HG13 ILE 8 HG13 ILE 8 14.681 -6.204 -3.916 52 HG21 ILE 8 HG21 ILE 8 16.144 -8.365 -2.551 53 HG22 ILE 8 HG22 ILE 8 15.084 -9.697 -2.093 54 HG23 ILE 8 HG23 ILE 8 15.636 -9.543 -3.761 55 HD11 ILE 8 HD11 ILE 8 12.882 -5.200 -3.110 56 HD12 ILE 8 HD12 ILE 8 12.494 -6.576 -2.077 57 HD13 ILE 8 HD13 ILE 8 13.615 -5.337 -1.512 58 H ALA 9 H ALA 9 11.578 -9.723 -4.181 59 HA ALA 9 HA ALA 9 12.763 -12.334 -4.404 60 HB1 ALA 9 HB1 ALA 9 9.911 -12.451 -4.410 61 HB2 ALA 9 HB2 ALA 9 11.039 -12.905 -3.132 62 HB3 ALA 9 HB3 ALA 9 10.440 -11.249 -3.232 63 H ASN 10 H ASN 10 11.865 -10.156 -6.678 64 HA ASN 10 HA ASN 10 10.562 -11.972 -8.517 65 HB2 ASN 10 HB2 ASN 10 10.226 -9.389 -8.285 66 HB3 ASN 10 HB3 ASN 10 11.655 -9.293 -9.310 67 HD21 ASN 10 HD21 ASN 10 8.432 -9.185 -9.384 68 HD22 ASN 10 HD22 ASN 10 8.132 -9.784 -10.977 69 H THR 11 H THR 11 13.727 -11.272 -7.614 70 HA THR 11 HA THR 11 14.768 -12.333 -10.161 71 HB THR 11 HB THR 11 15.505 -10.001 -9.613 72 HG1 THR 11 HG1 THR 11 17.699 -11.798 -9.515 73 HG21 THR 11 HG21 THR 11 15.792 -10.932 -7.060 74 HG22 THR 11 HG22 THR 11 16.514 -9.446 -7.679 75 HG23 THR 11 HG23 THR 11 17.459 -10.934 -7.636 76 H VAL 12 H VAL 12 14.662 -12.655 -6.713 77 HA VAL 12 HA VAL 12 16.865 -14.282 -6.227 78 HB VAL 12 HB VAL 12 15.720 -15.077 -4.253 79 HG11 VAL 12 HG11 VAL 12 15.835 -12.279 -4.997 80 HG12 VAL 12 HG12 VAL 12 14.608 -12.586 -3.766 81 HG13 VAL 12 HG13 VAL 12 16.283 -13.063 -3.483 82 HG21 VAL 12 HG21 VAL 12 13.242 -13.978 -5.569 83 HG22 VAL 12 HG22 VAL 12 13.572 -15.652 -5.124 84 HG23 VAL 12 HG23 VAL 12 13.329 -14.438 -3.868 85 H GLN 13 H GLN 13 13.896 -14.983 -7.853 86 HA GLN 13 HA GLN 13 13.638 -17.712 -7.548 87 HB2 GLN 13 HB2 GLN 13 13.105 -15.935 -9.922 88 HB3 GLN 13 HB3 GLN 13 12.713 -17.649 -9.929 89 HG2 GLN 13 HG2 GLN 13 11.631 -16.621 -7.559 90 HG3 GLN 13 HG3 GLN 13 11.249 -15.453 -8.822 91 HE21 GLN 13 HE21 GLN 13 9.679 -15.907 -10.242 92 HE22 GLN 13 HE22 GLN 13 8.806 -17.396 -10.305 93 H ALA 14 H ALA 14 15.755 -15.934 -9.754 94 HA ALA 14 HA ALA 14 17.039 -18.478 -10.493 95 HB1 ALA 14 HB1 ALA 14 17.874 -16.215 -12.083 96 HB2 ALA 14 HB2 ALA 14 17.158 -17.746 -12.590 97 HB3 ALA 14 HB3 ALA 14 16.120 -16.407 -12.103 98 H ALA 15 H ALA 15 17.615 -15.222 -9.292 99 HA ALA 15 HA ALA 15 20.450 -15.396 -9.244 100 HB1 ALA 15 HB1 ALA 15 18.956 -13.305 -9.138 101 HB2 ALA 15 HB2 ALA 15 18.866 -13.637 -7.407 102 HB3 ALA 15 HB3 ALA 15 20.429 -13.333 -8.167 103 H GLN 16 H GLN 16 17.969 -15.807 -6.727 104 HA GLN 16 HA GLN 16 17.990 -16.901 -4.733 105 HB2 GLN 16 HB2 GLN 16 20.463 -18.296 -5.762 106 HB3 GLN 16 HB3 GLN 16 19.377 -18.858 -4.498 107 HG2 GLN 16 HG2 GLN 16 17.575 -19.033 -6.178 108 HG3 GLN 16 HG3 GLN 16 18.735 -18.577 -7.424 109 HE21 GLN 16 HE21 GLN 16 17.318 -20.949 -7.515 110 HE22 GLN 16 HE22 GLN 16 18.411 -22.269 -7.307 111 H GLN 17 H GLN 17 19.266 -14.382 -4.899 112 HA GLN 17 HA GLN 17 20.531 -12.984 -3.627 113 HB2 GLN 17 HB2 GLN 17 21.037 -15.295 -1.762 114 HB3 GLN 17 HB3 GLN 17 21.001 -13.579 -1.381 115 HG2 GLN 17 HG2 GLN 17 18.574 -13.574 -1.915 116 HG3 GLN 17 HG3 GLN 17 18.662 -15.324 -2.108 117 HE21 GLN 17 HE21 GLN 17 17.037 -15.308 -0.409 118 HE22 GLN 17 HE22 GLN 17 17.547 -15.228 1.240 119 H HIS 18 H HIS 18 21.769 -14.314 -5.772 120 HA HIS 18 HA HIS 18 24.493 -14.781 -4.756 121 HB2 HIS 18 HB2 HIS 18 23.705 -16.692 -5.974 122 HB3 HIS 18 HB3 HIS 18 23.148 -15.684 -7.306 123 HD1 HIS 18 HD1 HIS 18 24.762 -15.296 -9.170 124 HD2 HIS 18 HD2 HIS 18 26.613 -16.786 -5.763 125 HE1 HIS 18 HE1 HIS 18 27.135 -15.777 -9.850 126 H ASP 19 H ASP 19 23.218 -13.745 -7.911 127 HA ASP 19 HA ASP 19 25.364 -12.055 -8.507 128 HB2 ASP 19 HB2 ASP 19 23.590 -12.990 -10.093 129 HB3 ASP 19 HB3 ASP 19 22.566 -11.659 -9.561 130 H SER 20 H SER 20 22.511 -11.534 -6.607 131 HA SER 20 HA SER 20 22.477 -8.706 -6.672 132 HB2 SER 20 HB2 SER 20 21.259 -10.813 -4.949 133 HB3 SER 20 HB3 SER 20 21.298 -9.163 -4.327 134 HG SER 20 HG SER 20 19.704 -10.241 -6.226 135 H VAL 21 H VAL 21 24.235 -11.045 -4.756 136 HA VAL 21 HA VAL 21 25.121 -9.314 -2.712 137 HB VAL 21 HB VAL 21 26.602 -11.721 -3.773 138 HG11 VAL 21 HG11 VAL 21 27.028 -11.753 -1.140 139 HG12 VAL 21 HG12 VAL 21 28.063 -10.865 -2.260 140 HG13 VAL 21 HG13 VAL 21 26.805 -10.018 -1.359 141 HG21 VAL 21 HG21 VAL 21 24.344 -12.407 -3.346 142 HG22 VAL 21 HG22 VAL 21 25.356 -12.985 -2.023 143 HG23 VAL 21 HG23 VAL 21 24.332 -11.568 -1.794 144 H LYS 22 H LYS 22 26.107 -9.744 -5.993 145 HA LYS 22 HA LYS 22 28.580 -8.233 -5.550 146 HB2 LYS 22 HB2 LYS 22 28.366 -10.411 -6.985 147 HB3 LYS 22 HB3 LYS 22 27.737 -9.321 -8.213 148 HG2 LYS 22 HG2 LYS 22 30.034 -9.549 -8.657 149 HG3 LYS 22 HG3 LYS 22 29.841 -7.961 -7.910 150 HD2 LYS 22 HD2 LYS 22 31.646 -8.761 -6.738 151 HD3 LYS 22 HD3 LYS 22 30.325 -9.301 -5.700 152 HE2 LYS 22 HE2 LYS 22 31.724 -11.171 -5.914 153 HE3 LYS 22 HE3 LYS 22 30.392 -11.475 -7.028 154 HZ1 LYS 22 HZ1 LYS 22 32.475 -12.001 -8.076 155 HZ2 LYS 22 HZ2 LYS 22 33.089 -10.460 -7.747 156 HZ3 LYS 22 HZ3 LYS 22 31.806 -10.645 -8.835 157 H LEU 23 H LEU 23 25.377 -7.896 -6.724 158 HA LEU 23 HA LEU 23 25.865 -5.099 -7.315 159 HB2 LEU 23 HB2 LEU 23 26.255 -6.060 -9.473 160 HB3 LEU 23 HB3 LEU 23 24.790 -7.032 -9.358 161 HG LEU 23 HG LEU 23 24.861 -4.876 -10.842 162 HD11 LEU 23 HD11 LEU 23 22.853 -6.381 -9.609 163 HD12 LEU 23 HD12 LEU 23 22.695 -5.320 -11.009 164 HD13 LEU 23 HD13 LEU 23 22.390 -4.693 -9.389 165 HD21 LEU 23 HD21 LEU 23 25.591 -3.582 -8.697 166 HD22 LEU 23 HD22 LEU 23 23.864 -3.591 -8.338 167 HD23 LEU 23 HD23 LEU 23 24.452 -2.850 -9.827 168 H GLY 24 H GLY 24 24.434 -4.201 -5.973 169 HA2 GLY 24 HA2 GLY 24 21.925 -3.689 -6.124 170 HA3 GLY 24 HA3 GLY 24 21.751 -5.403 -5.774 171 H THR 25 H THR 25 23.021 -2.359 -4.501 172 HA THR 25 HA THR 25 23.550 -3.319 -1.891 173 HB THR 25 HB THR 25 24.496 -1.208 -2.840 174 HG1 THR 25 HG1 THR 25 23.297 -1.452 -0.333 175 HG21 THR 25 HG21 THR 25 23.254 0.643 -3.285 176 HG22 THR 25 HG22 THR 25 22.088 0.300 -2.007 177 HG23 THR 25 HG23 THR 25 21.991 -0.559 -3.544 178 H SER 26 H SER 26 20.681 -2.097 -3.461 179 HA SER 26 HA SER 26 19.217 -1.883 -0.962 180 HB2 SER 26 HB2 SER 26 17.449 -0.949 -2.231 181 HB3 SER 26 HB3 SER 26 18.922 -0.324 -2.973 182 HG SER 26 HG SER 26 17.980 -1.080 -4.714 183 H ILE 27 H ILE 27 20.183 -4.409 -2.732 184 HA ILE 27 HA ILE 27 17.670 -5.909 -2.469 185 HB ILE 27 HB ILE 27 20.080 -7.058 -3.805 186 HG12 ILE 27 HG12 ILE 27 19.930 -4.839 -4.786 187 HG13 ILE 27 HG13 ILE 27 19.361 -6.034 -5.946 188 HG21 ILE 27 HG21 ILE 27 17.108 -7.366 -3.988 189 HG22 ILE 27 HG22 ILE 27 18.155 -7.913 -5.297 190 HG23 ILE 27 HG23 ILE 27 18.340 -8.590 -3.679 191 HD11 ILE 27 HD11 ILE 27 17.085 -5.441 -5.531 192 HD12 ILE 27 HD12 ILE 27 17.555 -4.383 -4.199 193 HD13 ILE 27 HD13 ILE 27 17.998 -3.968 -5.855 194 H VAL 28 H VAL 28 21.164 -6.286 -1.875 195 HA VAL 28 HA VAL 28 21.044 -8.648 -0.403 196 HB VAL 28 HB VAL 28 23.225 -8.092 0.475 197 HG11 VAL 28 HG11 VAL 28 23.079 -6.983 -2.320 198 HG12 VAL 28 HG12 VAL 28 24.423 -7.837 -1.560 199 HG13 VAL 28 HG13 VAL 28 22.935 -8.701 -1.950 200 HG21 VAL 28 HG21 VAL 28 24.052 -5.697 -0.375 201 HG22 VAL 28 HG22 VAL 28 22.348 -5.327 -0.113 202 HG23 VAL 28 HG23 VAL 28 23.329 -5.949 1.214 203 H ASP 29 H ASP 29 20.163 -5.432 0.474 204 HA ASP 29 HA ASP 29 20.125 -6.078 3.325 205 HB2 ASP 29 HB2 ASP 29 19.894 -3.782 3.748 206 HB3 ASP 29 HB3 ASP 29 20.973 -3.846 2.357 207 H ILE 30 H ILE 30 18.290 -7.287 1.323 208 HA ILE 30 HA ILE 30 15.774 -6.535 2.646 209 HB ILE 30 HB ILE 30 16.092 -7.152 -0.294 210 HG12 ILE 30 HG12 ILE 30 16.795 -4.870 0.359 211 HG13 ILE 30 HG13 ILE 30 15.356 -4.857 -0.653 212 HG21 ILE 30 HG21 ILE 30 13.958 -7.758 -0.287 213 HG22 ILE 30 HG22 ILE 30 13.856 -7.462 1.447 214 HG23 ILE 30 HG23 ILE 30 13.520 -6.157 0.310 215 HD11 ILE 30 HD11 ILE 30 14.636 -4.956 2.126 216 HD12 ILE 30 HD12 ILE 30 15.711 -3.597 1.799 217 HD13 ILE 30 HD13 ILE 30 14.209 -3.771 0.893 218 H VAL 31 H VAL 31 17.588 -8.994 0.875 219 HA VAL 31 HA VAL 31 15.716 -11.092 1.467 220 HB VAL 31 HB VAL 31 17.385 -12.603 0.508 221 HG11 VAL 31 HG11 VAL 31 17.444 -11.668 -1.747 222 HG12 VAL 31 HG12 VAL 31 15.876 -11.392 -0.986 223 HG13 VAL 31 HG13 VAL 31 17.045 -10.076 -1.104 224 HG21 VAL 31 HG21 VAL 31 19.134 -10.154 0.545 225 HG22 VAL 31 HG22 VAL 31 19.438 -11.720 1.297 226 HG23 VAL 31 HG23 VAL 31 19.475 -11.564 -0.459 227 H ALA 32 H ALA 32 18.487 -9.707 3.007 228 HA ALA 32 HA ALA 32 18.493 -11.889 4.987 229 HB1 ALA 32 HB1 ALA 32 20.691 -9.937 4.311 230 HB2 ALA 32 HB2 ALA 32 20.773 -11.182 5.558 231 HB3 ALA 32 HB3 ALA 32 20.631 -11.642 3.862 232 H ASN 33 H ASN 33 18.541 -8.381 4.563 233 HA ASN 33 HA ASN 33 18.208 -7.955 7.422 234 HB2 ASN 33 HB2 ASN 33 18.816 -6.234 5.070 235 HB3 ASN 33 HB3 ASN 33 18.010 -5.478 6.441 236 HD21 ASN 33 HD21 ASN 33 20.060 -4.247 6.422 237 HD22 ASN 33 HD22 ASN 33 21.390 -4.881 7.324 238 H GLY 34 H GLY 34 16.493 -6.823 4.498 239 HA2 GLY 34 HA2 GLY 34 14.193 -5.916 5.753 240 HA3 GLY 34 HA3 GLY 34 14.257 -6.498 4.096 241 H VAL 35 H VAL 35 15.140 -9.186 5.006 242 HA VAL 35 HA VAL 35 12.621 -10.422 5.127 243 HB VAL 35 HB VAL 35 14.717 -11.511 4.312 244 HG11 VAL 35 HG11 VAL 35 15.474 -12.472 6.966 245 HG12 VAL 35 HG12 VAL 35 16.483 -11.927 5.624 246 HG13 VAL 35 HG13 VAL 35 15.765 -10.750 6.723 247 HG21 VAL 35 HG21 VAL 35 14.065 -13.596 6.075 248 HG22 VAL 35 HG22 VAL 35 12.591 -12.650 5.870 249 HG23 VAL 35 HG23 VAL 35 13.418 -13.310 4.459 250 H GLY 36 H GLY 36 14.616 -9.080 7.587 251 HA2 GLY 36 HA2 GLY 36 13.924 -10.578 9.824 252 HA3 GLY 36 HA3 GLY 36 14.314 -8.865 9.852 253 H LEU 37 H LEU 37 12.076 -8.128 8.127 254 HA LEU 37 HA LEU 37 10.075 -7.918 10.183 255 HB2 LEU 37 HB2 LEU 37 10.835 -6.298 8.163 256 HB3 LEU 37 HB3 LEU 37 9.423 -7.063 7.438 257 HG LEU 37 HG LEU 37 8.327 -6.337 9.751 258 HD11 LEU 37 HD11 LEU 37 9.505 -3.825 9.740 259 HD12 LEU 37 HD12 LEU 37 10.861 -4.951 9.691 260 HD13 LEU 37 HD13 LEU 37 9.667 -5.065 10.984 261 HD21 LEU 37 HD21 LEU 37 7.117 -5.005 8.432 262 HD22 LEU 37 HD22 LEU 37 8.187 -5.519 7.128 263 HD23 LEU 37 HD23 LEU 37 8.515 -4.020 7.999 264 H LEU 38 H LEU 38 10.719 -10.065 7.627 265 HA LEU 38 HA LEU 38 7.972 -10.873 7.217 266 HB2 LEU 38 HB2 LEU 38 10.620 -11.830 6.183 267 HB3 LEU 38 HB3 LEU 38 9.140 -12.745 5.901 268 HG LEU 38 HG LEU 38 9.624 -11.431 3.956 269 HD11 LEU 38 HD11 LEU 38 7.506 -10.773 3.620 270 HD12 LEU 38 HD12 LEU 38 7.499 -9.717 5.033 271 HD13 LEU 38 HD13 LEU 38 7.230 -11.449 5.226 272 HD21 LEU 38 HD21 LEU 38 9.277 -8.796 5.153 273 HD22 LEU 38 HD22 LEU 38 10.461 -9.360 3.974 274 HD23 LEU 38 HD23 LEU 38 10.737 -9.624 5.697 275 H GLY 39 H GLY 39 10.909 -12.343 8.602 276 HA2 GLY 39 HA2 GLY 39 9.824 -14.759 9.425 277 HA3 GLY 39 HA3 GLY 39 11.163 -13.948 10.224 278 H LYS 40 H LYS 40 9.415 -11.594 10.806 279 HA LYS 40 HA LYS 40 8.386 -12.585 13.316 280 HB2 LYS 40 HB2 LYS 40 8.000 -10.255 13.864 281 HB3 LYS 40 HB3 LYS 40 9.607 -10.439 13.172 282 HG2 LYS 40 HG2 LYS 40 8.974 -9.439 11.151 283 HG3 LYS 40 HG3 LYS 40 7.254 -9.617 11.504 284 HD2 LYS 40 HD2 LYS 40 8.939 -7.989 13.347 285 HD3 LYS 40 HD3 LYS 40 8.471 -7.299 11.791 286 HE2 LYS 40 HE2 LYS 40 6.166 -7.493 12.297 287 HE3 LYS 40 HE3 LYS 40 6.486 -8.522 13.692 288 HZ1 LYS 40 HZ1 LYS 40 7.862 -6.108 14.036 289 HZ2 LYS 40 HZ2 LYS 40 6.582 -6.724 14.953 290 HZ3 LYS 40 HZ3 LYS 40 6.266 -5.737 13.616 291 H LEU 41 H LEU 41 7.136 -11.688 10.213 292 HA LEU 41 HA LEU 41 4.395 -11.549 11.186 293 HB2 LEU 41 HB2 LEU 41 5.741 -11.019 8.573 294 HB3 LEU 41 HB3 LEU 41 4.002 -11.297 8.619 295 HG LEU 41 HG LEU 41 5.291 -9.181 10.314 296 HD11 LEU 41 HD11 LEU 41 5.212 -9.231 7.467 297 HD12 LEU 41 HD12 LEU 41 5.776 -7.950 8.538 298 HD13 LEU 41 HD13 LEU 41 4.083 -8.008 8.049 299 HD21 LEU 41 HD21 LEU 41 2.832 -10.127 10.468 300 HD22 LEU 41 HD22 LEU 41 2.574 -9.023 9.116 301 HD23 LEU 41 HD23 LEU 41 3.171 -8.406 10.658 302 H PHE 42 H PHE 42 5.971 -13.294 8.502 303 HA PHE 42 HA PHE 42 3.970 -15.389 8.682 304 HB2 PHE 42 HB2 PHE 42 6.317 -15.067 6.799 305 HB3 PHE 42 HB3 PHE 42 5.063 -16.295 6.665 306 HD1 PHE 42 HD1 PHE 42 3.060 -15.849 5.549 307 HD2 PHE 42 HD2 PHE 42 5.648 -12.639 6.602 308 HE1 PHE 42 HE1 PHE 42 1.696 -14.311 4.197 309 HE2 PHE 42 HE2 PHE 42 4.288 -11.095 5.253 310 HZ PHE 42 HZ PHE 42 2.308 -11.930 4.049 311 H GLY 43 H GLY 43 7.497 -15.626 8.247 312 HA2 GLY 43 HA2 GLY 43 8.674 -16.631 10.276 313 HA3 GLY 43 HA3 GLY 43 7.462 -17.896 10.131 314 H PHE 44 H PHE 44 9.104 -16.271 7.467 315 HA PHE 44 HA PHE 44 9.653 -18.569 6.028 316 HB2 PHE 44 HB2 PHE 44 10.957 -15.855 6.047 317 HB3 PHE 44 HB3 PHE 44 11.495 -17.126 4.953 318 HD1 PHE 44 HD1 PHE 44 9.071 -18.388 4.067 319 HD2 PHE 44 HD2 PHE 44 9.838 -14.269 4.819 320 HE1 PHE 44 HE1 PHE 44 7.297 -17.771 2.479 321 HE2 PHE 44 HE2 PHE 44 8.064 -13.646 3.232 322 HZ PHE 44 HZ PHE 44 6.790 -15.397 2.060
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